Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
564946 | 2m3h RC | 18963 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854
2 HA2 GLY 1 2HA GLY 1 2.679 -0.891 -1.293
3 HA3 GLY 1 3HA GLY 1 1.371 -0.010 -2.069
4 H SER 2 H SER 2 1.652 2.092 -2.609
5 HA SER 2 HA SER 2 4.320 3.122 -2.568
6 HB2 SER 2 2HB SER 2 2.348 5.106 -3.295
7 HB3 SER 2 3HB SER 2 3.578 4.339 -4.300
8 HG SER 2 HG SER 2 0.999 3.978 -4.435
9 H MET 3 H MET 3 5.244 4.339 -1.064
10 HA MET 3 HA MET 3 3.914 5.085 1.311
11 HB2 MET 3 2HB MET 3 6.316 4.631 1.247
12 HB3 MET 3 3HB MET 3 6.567 6.025 0.206
13 HG2 MET 3 2HG MET 3 5.169 6.765 2.616
14 HG3 MET 3 3HG MET 3 6.689 5.950 2.978
15 HE1 MET 3 3HE MET 3 9.376 8.364 2.194
16 HE2 MET 3 1HE MET 3 8.616 7.631 3.607
17 HE3 MET 3 2HE MET 3 8.960 6.649 2.183
18 H ASP 4 H ASP 4 3.041 6.981 1.991
19 HA ASP 4 HA ASP 4 2.774 9.096 -0.037
20 HB2 ASP 4 2HB ASP 4 0.927 7.915 1.923
21 HB3 ASP 4 3HB ASP 4 0.883 9.675 1.858
22 HA PRO 5 HA PRO 5 4.881 12.053 2.423
23 HB2 PRO 5 2HB PRO 5 3.397 14.295 2.048
24 HB3 PRO 5 3HB PRO 5 4.424 13.601 0.788
25 HG2 PRO 5 2HG PRO 5 1.468 13.338 1.182
26 HG3 PRO 5 3HG PRO 5 2.377 13.611 -0.316
27 HD2 PRO 5 2HD PRO 5 1.431 11.174 0.391
28 HD3 PRO 5 3HD PRO 5 2.933 11.385 -0.532
29 H ASN 6 H ASN 6 1.361 12.055 2.907
30 HA ASN 6 HA ASN 6 1.792 12.854 5.704
31 HB2 ASN 6 2HB ASN 6 -0.728 13.277 5.636
32 HB3 ASN 6 3HB ASN 6 0.282 14.368 4.693
33 HD21 ASN 6 1HD2 ASN 6 -0.698 14.885 2.886
34 HD22 ASN 6 2HD2 ASN 6 -1.585 13.812 1.862
35 H ALA 7 H ALA 7 2.448 10.269 5.182
36 HA ALA 7 HA ALA 7 0.164 8.738 6.246
37 HB1 ALA 7 1HB ALA 7 0.785 7.952 4.045
38 HB2 ALA 7 2HB ALA 7 2.463 7.764 4.555
39 HB3 ALA 7 3HB ALA 7 1.210 6.739 5.253
40 H LEU 8 H LEU 8 1.002 6.692 7.445
41 HA LEU 8 HA LEU 8 3.318 7.393 9.115
42 HB2 LEU 8 2HB LEU 8 0.669 6.340 10.093
43 HB3 LEU 8 3HB LEU 8 2.107 6.564 11.088
44 HG LEU 8 HG LEU 8 0.475 8.730 9.766
45 HD11 LEU 8 1HD1 LEU 8 0.257 7.394 12.272
46 HD12 LEU 8 2HD1 LEU 8 -0.714 8.720 11.634
47 HD13 LEU 8 3HD1 LEU 8 0.750 9.063 12.556
48 HD21 LEU 8 3HD2 LEU 8 3.193 8.707 10.881
49 HD22 LEU 8 1HD2 LEU 8 2.146 9.993 11.483
50 HD23 LEU 8 2HD2 LEU 8 2.435 9.829 9.750
51 H TYR 9 H TYR 9 4.600 5.709 9.760
52 HA TYR 9 HA TYR 9 3.745 2.975 9.219
53 HB2 TYR 9 2HB TYR 9 6.385 3.935 8.132
54 HB3 TYR 9 3HB TYR 9 5.544 2.428 7.785
55 HD1 TYR 9 HD2 TYR 9 5.713 6.016 7.057
56 HD2 TYR 9 HD1 TYR 9 3.727 2.357 6.182
57 HE1 TYR 9 HE2 TYR 9 4.699 7.049 5.069
58 HE2 TYR 9 HE1 TYR 9 2.707 3.379 4.191
59 HH TYR 9 HH TYR 9 2.377 5.281 3.062
60 H CYS 10 H CYS 10 6.629 4.880 10.105
61 HA CYS 10 HA CYS 10 7.944 3.045 11.652
62 HB2 CYS 10 2HB CYS 10 8.700 5.386 11.058
63 HB3 CYS 10 3HB CYS 10 7.712 5.963 12.395
64 H ILE 11 H ILE 11 8.103 2.755 13.967
65 HA ILE 11 HA ILE 11 5.700 2.106 15.191
66 HB ILE 11 HB ILE 11 6.997 2.015 17.324
67 HG12 ILE 11 2HG1 ILE 11 9.224 3.046 15.554
68 HG13 ILE 11 3HG1 ILE 11 8.518 3.877 16.936
69 HG21 ILE 11 1HG2 ILE 11 8.813 0.658 15.481
70 HG22 ILE 11 2HG2 ILE 11 7.761 -0.003 16.731
71 HG23 ILE 11 3HG2 ILE 11 7.106 0.378 15.139
72 HD11 ILE 11 3HD1 ILE 11 9.378 2.157 18.422
73 HD12 ILE 11 1HD1 ILE 11 10.062 1.297 17.043
74 HD13 ILE 11 2HD1 ILE 11 10.675 2.892 17.479
75 H CYS 12 H CYS 12 7.580 5.077 15.358
76 HA CYS 12 HA CYS 12 6.013 6.261 17.432
77 HB2 CYS 12 2HB CYS 12 7.210 8.339 16.840
78 HB3 CYS 12 3HB CYS 12 8.308 6.981 17.057
79 H ARG 13 H ARG 13 5.542 5.779 14.104
80 HA ARG 13 HA ARG 13 3.906 6.407 12.654
81 HB2 ARG 13 2HB ARG 13 2.507 7.524 15.089
82 HB3 ARG 13 3HB ARG 13 1.768 7.107 13.549
83 HG2 ARG 13 2HG ARG 13 3.056 5.168 15.460
84 HG3 ARG 13 3HG ARG 13 1.322 5.423 15.255
85 HD2 ARG 13 2HD ARG 13 3.154 4.573 13.021
86 HD3 ARG 13 3HD ARG 13 2.278 3.435 14.044
87 HE ARG 13 HE ARG 13 1.213 4.985 11.893
88 HH11 ARG 13 1HH1 ARG 13 0.445 3.495 14.944
89 HH12 ARG 13 2HH1 ARG 13 -1.242 3.326 14.585
90 HH21 ARG 13 1HH2 ARG 13 -1.006 4.768 11.409
91 HH22 ARG 13 2HH2 ARG 13 -2.066 4.050 12.574
92 H GLN 14 H GLN 14 5.688 7.957 12.034
93 HA GLN 14 HA GLN 14 4.635 10.696 12.173
94 HB2 GLN 14 2HB GLN 14 7.310 9.719 12.964
95 HB3 GLN 14 3HB GLN 14 7.292 11.180 11.986
96 HG2 GLN 14 2HG GLN 14 5.335 11.329 14.094
97 HG3 GLN 14 3HG GLN 14 6.939 10.983 14.737
98 HE21 GLN 14 1HE2 GLN 14 8.644 12.346 13.301
99 HE22 GLN 14 2HE2 GLN 14 8.306 14.040 13.308
100 HA PRO 15 HA PRO 15 5.150 10.861 7.821
101 HB2 PRO 15 2HB PRO 15 5.915 13.436 7.430
102 HB3 PRO 15 3HB PRO 15 4.272 12.983 7.897
103 HG2 PRO 15 2HG PRO 15 6.516 13.992 9.602
104 HG3 PRO 15 3HG PRO 15 4.800 14.438 9.633
105 HD2 PRO 15 2HD PRO 15 5.886 12.704 11.406
106 HD3 PRO 15 3HD PRO 15 4.207 12.571 10.847
107 H HIS 16 H HIS 16 6.663 10.822 6.142
108 HA HIS 16 HA HIS 16 9.373 10.316 6.967
109 HB2 HIS 16 2HB HIS 16 9.725 9.458 4.814
110 HB3 HIS 16 3HB HIS 16 8.033 9.086 5.136
111 HD1 HIS 16 HD1 HIS 16 10.175 10.588 2.660
112 HD2 HIS 16 HD2 HIS 16 6.239 11.099 3.888
113 HE1 HIS 16 HE1 HIS 16 9.036 11.807 0.777
114 H ASN 17 H ASN 17 7.735 13.095 6.325
115 HA ASN 17 HA ASN 17 9.872 14.453 4.897
116 HB2 ASN 17 2HB ASN 17 8.304 16.464 5.242
117 HB3 ASN 17 3HB ASN 17 7.747 15.169 4.186
118 HD21 ASN 17 1HD2 ASN 17 7.681 16.080 7.614
119 HD22 ASN 17 2HD2 ASN 17 6.040 15.610 7.882
120 H ASN 18 H ASN 18 10.737 13.451 7.324
121 HA ASN 18 HA ASN 18 11.219 15.935 8.822
122 HB2 ASN 18 2HB ASN 18 10.155 13.362 9.807
123 HB3 ASN 18 3HB ASN 18 11.441 14.066 10.783
124 HD21 ASN 18 1HD2 ASN 18 8.308 13.779 10.772
125 HD22 ASN 18 2HD2 ASN 18 7.808 15.315 11.387
126 H ARG 19 H ARG 19 12.369 12.621 9.324
127 HA ARG 19 HA ARG 19 15.094 13.553 8.698
128 HB2 ARG 19 2HB ARG 19 14.339 11.527 10.810
129 HB3 ARG 19 3HB ARG 19 15.955 12.126 10.462
130 HG2 ARG 19 2HG ARG 19 15.666 13.760 11.921
131 HG3 ARG 19 3HG ARG 19 14.294 14.362 10.988
132 HD2 ARG 19 2HD ARG 19 13.426 13.965 13.127
133 HD3 ARG 19 3HD ARG 19 12.922 12.568 12.176
134 HE ARG 19 HE ARG 19 15.296 11.830 13.329
135 HH11 ARG 19 1HH1 ARG 19 12.206 12.949 14.478
136 HH12 ARG 19 2HH1 ARG 19 12.304 12.083 15.976
137 HH21 ARG 19 1HH2 ARG 19 15.436 10.686 15.297
138 HH22 ARG 19 2HH2 ARG 19 14.141 10.797 16.441
139 H PHE 20 H PHE 20 16.531 11.343 8.671
140 HA PHE 20 HA PHE 20 15.945 10.113 6.244
141 HB2 PHE 20 2HB PHE 20 18.199 10.097 7.051
142 HB3 PHE 20 3HB PHE 20 17.732 9.241 8.517
143 HD1 PHE 20 HD1 PHE 20 18.209 8.920 4.880
144 HD2 PHE 20 HD2 PHE 20 17.528 6.880 8.553
145 HE1 PHE 20 HE1 PHE 20 18.704 6.776 3.777
146 HE2 PHE 20 HE2 PHE 20 18.023 4.733 7.457
147 HZ PHE 20 HZ PHE 20 18.613 4.680 5.066
148 H MET 21 H MET 21 15.168 8.069 5.686
149 HA MET 21 HA MET 21 13.895 6.484 7.791
150 HB2 MET 21 2HB MET 21 12.517 7.902 5.569
151 HB3 MET 21 3HB MET 21 11.953 6.285 5.967
152 HG2 MET 21 2HG MET 21 11.889 7.178 8.397
153 HG3 MET 21 3HG MET 21 11.908 8.763 7.627
154 HE1 MET 21 3HE MET 21 9.392 6.608 9.319
155 HE2 MET 21 1HE MET 21 8.483 5.844 8.015
156 HE3 MET 21 2HE MET 21 10.195 5.477 8.230
157 H ILE 22 H ILE 22 13.460 4.303 7.195
158 HA ILE 22 HA ILE 22 14.904 3.421 4.781
159 HB ILE 22 HB ILE 22 16.076 2.867 6.922
160 HG12 ILE 22 2HG1 ILE 22 15.142 0.328 5.611
161 HG13 ILE 22 3HG1 ILE 22 16.102 1.499 4.713
162 HG21 ILE 22 1HG2 ILE 22 15.003 1.960 8.640
163 HG22 ILE 22 2HG2 ILE 22 13.502 2.106 7.726
164 HG23 ILE 22 3HG2 ILE 22 14.445 0.618 7.640
165 HD11 ILE 22 3HD1 ILE 22 17.876 1.309 6.387
166 HD12 ILE 22 1HD1 ILE 22 16.916 0.111 7.255
167 HD13 ILE 22 2HD1 ILE 22 17.506 -0.241 5.630
168 H CYS 23 H CYS 23 14.119 1.534 3.731
169 HA CYS 23 HA CYS 23 11.250 1.094 4.181
170 HB2 CYS 23 2HB CYS 23 11.736 1.905 1.963
171 HB3 CYS 23 3HB CYS 23 12.972 0.674 1.733
172 HG CYS 23 HG CYS 23 9.593 0.332 1.647
173 H CYS 24 H CYS 24 10.599 -0.768 5.017
174 HA CYS 24 HA CYS 24 12.498 -2.997 5.140
175 HB2 CYS 24 2HB CYS 24 11.638 -2.326 7.291
176 HB3 CYS 24 3HB CYS 24 9.980 -2.411 6.707
177 H ASP 25 H ASP 25 12.271 -4.660 3.814
178 HA ASP 25 HA ASP 25 9.972 -4.899 2.111
179 HB2 ASP 25 2HB ASP 25 12.623 -6.206 2.343
180 HB3 ASP 25 3HB ASP 25 11.340 -7.167 1.612
181 H ARG 26 H ARG 26 11.053 -6.339 5.073
182 HA ARG 26 HA ARG 26 9.692 -8.751 5.086
183 HB2 ARG 26 2HB ARG 26 11.240 -7.484 6.874
184 HB3 ARG 26 3HB ARG 26 9.670 -7.175 7.602
185 HG2 ARG 26 2HG ARG 26 10.670 -9.913 6.858
186 HG3 ARG 26 3HG ARG 26 10.827 -9.198 8.464
187 HD2 ARG 26 2HD ARG 26 8.408 -9.019 8.640
188 HD3 ARG 26 3HD ARG 26 8.226 -9.667 7.011
189 HE ARG 26 HE ARG 26 9.689 -11.477 8.604
190 HH11 ARG 26 1HH1 ARG 26 6.466 -10.237 8.161
191 HH12 ARG 26 2HH1 ARG 26 5.693 -11.673 8.745
192 HH21 ARG 26 1HH2 ARG 26 8.682 -13.373 9.376
193 HH22 ARG 26 2HH2 ARG 26 6.954 -13.456 9.436
194 H CYS 27 H CYS 27 8.516 -5.759 6.640
195 HA CYS 27 HA CYS 27 5.786 -6.780 6.445
196 HB2 CYS 27 2HB CYS 27 5.227 -4.847 7.919
197 HB3 CYS 27 3HB CYS 27 6.414 -5.942 8.618
198 H GLU 28 H GLU 28 7.860 -4.851 4.684
199 HA GLU 28 HA GLU 28 7.575 -3.505 2.872
200 HB2 GLU 28 2HB GLU 28 5.761 -5.278 2.417
201 HB3 GLU 28 3HB GLU 28 4.621 -4.064 2.980
202 HG2 GLU 28 2HG GLU 28 4.878 -2.761 1.142
203 HG3 GLU 28 3HG GLU 28 6.554 -3.247 0.893
204 H GLU 29 H GLU 29 7.822 -2.157 5.143
205 HA GLU 29 HA GLU 29 5.991 0.101 4.775
206 HB2 GLU 29 2HB GLU 29 6.031 -1.608 7.059
207 HB3 GLU 29 3HB GLU 29 6.652 -0.035 7.539
208 HG2 GLU 29 2HG GLU 29 4.572 0.683 7.708
209 HG3 GLU 29 3HG GLU 29 4.399 0.487 5.964
210 H TRP 30 H TRP 30 6.931 1.869 6.552
211 HA TRP 30 HA TRP 30 9.789 2.111 5.874
212 HB2 TRP 30 2HB TRP 30 7.584 4.146 5.903
213 HB3 TRP 30 3HB TRP 30 9.254 4.649 6.151
214 HD1 TRP 30 HD1 TRP 30 6.865 3.421 3.466
215 HE1 TRP 30 HE1 TRP 30 8.007 3.628 1.168
216 HE3 TRP 30 HE3 TRP 30 11.599 4.575 5.012
217 HZ2 TRP 30 HZ2 TRP 30 10.574 4.203 0.147
218 HZ3 TRP 30 HZ3 TRP 30 13.340 4.938 3.312
219 HH2 TRP 30 HH2 TRP 30 12.836 4.754 0.930
220 H PHE 31 H PHE 31 11.153 3.157 7.407
221 HA PHE 31 HA PHE 31 10.073 3.562 10.088
222 HB2 PHE 31 2HB PHE 31 12.304 1.624 9.448
223 HB3 PHE 31 3HB PHE 31 11.912 2.179 11.072
224 HD1 PHE 31 HD1 PHE 31 10.785 0.152 8.233
225 HD2 PHE 31 HD2 PHE 31 9.987 1.357 12.236
226 HE1 PHE 31 HE1 PHE 31 9.125 -1.652 8.442
227 HE2 PHE 31 HE2 PHE 31 8.327 -0.446 12.452
228 HZ PHE 31 HZ PHE 31 7.895 -1.954 10.554
229 H HIS 32 H HIS 32 11.905 4.352 11.585
230 HA HIS 32 HA HIS 32 13.415 6.378 10.094
231 HB2 HIS 32 2HB HIS 32 12.388 6.227 12.914
232 HB3 HIS 32 3HB HIS 32 13.677 7.349 12.488
233 HD2 HIS 32 HD2 HIS 32 12.596 8.700 9.820
234 HE1 HIS 32 HE1 HIS 32 8.954 9.303 11.911
235 HE2 HIS 32 HE2 HIS 32 10.315 9.918 9.883
236 H GLY 33 H GLY 33 15.572 6.327 9.987
237 HA2 GLY 33 2HA GLY 33 17.095 4.134 10.695
238 HA3 GLY 33 3HA GLY 33 17.753 5.736 10.397
239 H ASP 34 H ASP 34 16.282 6.937 12.630
240 HA ASP 34 HA ASP 34 18.210 6.400 14.679
241 HB2 ASP 34 2HB ASP 34 16.968 8.632 14.070
242 HB3 ASP 34 3HB ASP 34 15.736 8.017 15.169
243 H CYS 35 H CYS 35 14.749 5.788 14.263
244 HA CYS 35 HA CYS 35 14.319 4.688 16.833
245 HB2 CYS 35 2HB CYS 35 12.812 4.359 14.235
246 HB3 CYS 35 3HB CYS 35 12.256 3.703 15.770
247 H VAL 36 H VAL 36 15.171 3.257 13.717
248 HA VAL 36 HA VAL 36 15.129 0.567 14.767
249 HB VAL 36 HB VAL 36 16.083 -0.045 12.535
250 HG11 VAL 36 1HG1 VAL 36 14.039 0.125 11.426
251 HG12 VAL 36 2HG1 VAL 36 13.595 0.210 13.132
252 HG13 VAL 36 3HG1 VAL 36 13.661 1.682 12.161
253 HG21 VAL 36 3HG2 VAL 36 16.753 2.662 12.445
254 HG22 VAL 36 1HG2 VAL 36 16.930 1.477 11.150
255 HG23 VAL 36 2HG2 VAL 36 15.472 2.465 11.250
256 H GLY 37 H GLY 37 17.456 3.106 14.307
257 HA2 GLY 37 2HA GLY 37 19.472 3.078 15.634
258 HA3 GLY 37 3HA GLY 37 19.519 1.332 15.441
259 H ILE 38 H ILE 38 18.702 2.020 12.498
260 HA ILE 38 HA ILE 38 21.275 1.692 11.400
261 HB ILE 38 HB ILE 38 18.730 2.603 10.052
262 HG12 ILE 38 2HG1 ILE 38 18.599 0.377 11.127
263 HG13 ILE 38 3HG1 ILE 38 18.499 0.275 9.372
264 HG21 ILE 38 1HG2 ILE 38 20.154 3.136 8.392
265 HG22 ILE 38 2HG2 ILE 38 21.459 2.154 9.055
266 HG23 ILE 38 3HG2 ILE 38 20.176 1.395 8.114
267 HD11 ILE 38 3HD1 ILE 38 21.223 0.046 10.082
268 HD12 ILE 38 1HD1 ILE 38 20.299 -1.027 11.133
269 HD13 ILE 38 2HD1 ILE 38 20.161 -1.175 9.381
270 H SER 39 H SER 39 22.660 3.097 10.379
271 HA SER 39 HA SER 39 22.313 5.913 11.071
272 HB2 SER 39 2HB SER 39 24.793 4.869 9.767
273 HB3 SER 39 3HB SER 39 24.614 6.125 10.991
274 HG SER 39 HG SER 39 23.918 4.279 12.386
275 H GLU 40 H GLU 40 22.633 7.594 9.542
276 HA GLU 40 HA GLU 40 21.259 7.349 7.161
277 HB2 GLU 40 2HB GLU 40 21.636 9.520 8.093
278 HB3 GLU 40 3HB GLU 40 23.381 9.329 7.987
279 HG2 GLU 40 2HG GLU 40 23.279 9.402 5.574
280 HG3 GLU 40 3HG GLU 40 21.519 9.487 5.628
281 H ALA 41 H ALA 41 24.695 6.924 7.787
282 HA ALA 41 HA ALA 41 25.411 6.665 5.022
283 HB1 ALA 41 1HB ALA 41 26.814 7.153 7.310
284 HB2 ALA 41 2HB ALA 41 27.237 5.473 6.973
285 HB3 ALA 41 3HB ALA 41 27.526 6.717 5.756
286 H ARG 42 H ARG 42 24.455 4.491 7.589
287 HA ARG 42 HA ARG 42 25.274 2.092 6.278
288 HB2 ARG 42 2HB ARG 42 23.412 2.652 8.581
289 HB3 ARG 42 3HB ARG 42 23.692 1.026 7.974
290 HG2 ARG 42 2HG ARG 42 26.233 2.116 8.352
291 HG3 ARG 42 3HG ARG 42 25.289 2.616 9.756
292 HD2 ARG 42 2HD ARG 42 24.801 0.398 10.353
293 HD3 ARG 42 3HD ARG 42 25.280 -0.220 8.773
294 HE ARG 42 HE ARG 42 27.567 0.856 9.740
295 HH11 ARG 42 1HH1 ARG 42 25.264 -1.422 11.015
296 HH12 ARG 42 2HH1 ARG 42 26.436 -2.275 11.963
297 HH21 ARG 42 1HH2 ARG 42 29.120 -0.259 10.984
298 HH22 ARG 42 2HH2 ARG 42 28.629 -1.613 11.945
299 H GLY 43 H GLY 43 22.106 3.657 6.747
300 HA2 GLY 43 2HA GLY 43 20.579 1.814 5.300
301 HA3 GLY 43 3HA GLY 43 20.152 3.500 5.555
302 H ARG 44 H ARG 44 22.490 4.550 4.199
303 HA ARG 44 HA ARG 44 21.453 4.559 1.543
304 HB2 ARG 44 2HB ARG 44 22.788 6.392 2.888
305 HB3 ARG 44 3HB ARG 44 24.185 5.592 2.180
306 HG2 ARG 44 2HG ARG 44 23.870 7.013 0.486
307 HG3 ARG 44 3HG ARG 44 22.589 5.899 0.004
308 HD2 ARG 44 2HD ARG 44 20.922 7.233 1.042
309 HD3 ARG 44 3HD ARG 44 22.131 8.219 1.864
310 HE ARG 44 HE ARG 44 22.337 8.326 -0.994
311 HH11 ARG 44 1HH1 ARG 44 20.722 9.641 1.795
312 HH12 ARG 44 2HH1 ARG 44 20.338 11.146 1.026
313 HH21 ARG 44 1HH2 ARG 44 21.839 10.303 -2.018
314 HH22 ARG 44 2HH2 ARG 44 20.974 11.521 -1.143
315 H LEU 45 H LEU 45 23.921 2.771 3.191
316 HA LEU 45 HA LEU 45 25.354 1.933 0.870
317 HB2 LEU 45 2HB LEU 45 26.169 1.963 3.281
318 HB3 LEU 45 3HB LEU 45 25.241 0.481 3.500
319 HG LEU 45 HG LEU 45 26.621 -0.600 1.757
320 HD11 LEU 45 1HD1 LEU 45 28.819 0.640 1.271
321 HD12 LEU 45 2HD1 LEU 45 27.931 2.093 1.727
322 HD13 LEU 45 3HD1 LEU 45 27.376 1.109 0.373
323 HD21 LEU 45 3HD2 LEU 45 27.314 0.036 4.399
324 HD22 LEU 45 1HD2 LEU 45 28.786 0.232 3.447
325 HD23 LEU 45 2HD2 LEU 45 27.915 -1.302 3.418
326 H LEU 46 H LEU 46 22.932 0.365 2.953
327 HA LEU 46 HA LEU 46 22.786 -2.066 1.592
328 HB2 LEU 46 2HB LEU 46 20.493 -0.673 2.957
329 HB3 LEU 46 3HB LEU 46 20.681 -2.404 2.687
330 HG LEU 46 HG LEU 46 22.279 -0.684 4.580
331 HD11 LEU 46 1HD1 LEU 46 19.943 -1.334 5.232
332 HD12 LEU 46 2HD1 LEU 46 21.212 -1.898 6.318
333 HD13 LEU 46 3HD1 LEU 46 20.472 -3.016 5.173
334 HD21 LEU 46 3HD2 LEU 46 22.858 -3.320 5.120
335 HD22 LEU 46 1HD2 LEU 46 23.908 -2.178 4.281
336 HD23 LEU 46 2HD2 LEU 46 22.866 -3.259 3.357
337 H GLU 47 H GLU 47 21.445 1.049 0.833
338 HA GLU 47 HA GLU 47 19.516 0.118 -1.058
339 HB2 GLU 47 2HB GLU 47 20.758 2.840 -0.635
340 HB3 GLU 47 3HB GLU 47 19.457 2.519 -1.773
341 HG2 GLU 47 2HG GLU 47 18.799 1.504 0.837
342 HG3 GLU 47 3HG GLU 47 19.227 3.212 0.914
343 H ARG 48 H ARG 48 22.897 0.937 -1.170
344 HA ARG 48 HA ARG 48 23.006 1.077 -4.049
345 HB2 ARG 48 2HB ARG 48 24.772 1.661 -1.837
346 HB3 ARG 48 3HB ARG 48 25.603 0.703 -3.055
347 HG2 ARG 48 2HG ARG 48 26.009 2.924 -3.652
348 HG3 ARG 48 3HG ARG 48 24.732 2.392 -4.747
349 HD2 ARG 48 2HD ARG 48 23.148 3.710 -3.759
350 HD3 ARG 48 3HD ARG 48 23.930 3.653 -2.180
351 HE ARG 48 HE ARG 48 25.661 5.088 -3.695
352 HH11 ARG 48 1HH1 ARG 48 22.255 5.348 -3.023
353 HH12 ARG 48 2HH1 ARG 48 22.221 7.072 -3.188
354 HH21 ARG 48 1HH2 ARG 48 25.629 7.358 -3.916
355 HH22 ARG 48 2HH2 ARG 48 24.141 8.214 -3.697
356 H ASN 49 H ASN 49 23.764 -1.276 -1.538
357 HA ASN 49 HA ASN 49 24.852 -3.179 -3.415
358 HB2 ASN 49 2HB ASN 49 24.244 -3.273 -0.464
359 HB3 ASN 49 3HB ASN 49 24.767 -4.702 -1.351
360 HD21 ASN 49 1HD2 ASN 49 26.019 -3.069 0.807
361 HD22 ASN 49 2HD2 ASN 49 27.589 -2.671 0.204
362 H GLY 50 H GLY 50 21.762 -2.402 -2.098
363 HA2 GLY 50 2HA GLY 50 19.685 -3.184 -2.763
364 HA3 GLY 50 3HA GLY 50 20.493 -4.350 -3.799
365 H GLU 51 H GLU 51 20.920 -3.922 -0.316
366 HA GLU 51 HA GLU 51 20.208 -6.733 0.049
367 HB2 GLU 51 2HB GLU 51 21.856 -4.763 1.536
368 HB3 GLU 51 3HB GLU 51 21.033 -5.988 2.492
369 HG2 GLU 51 2HG GLU 51 22.430 -7.034 0.145
370 HG3 GLU 51 3HG GLU 51 23.478 -6.275 1.343
371 H ASP 52 H ASP 52 18.141 -7.134 0.463
372 HA ASP 52 HA ASP 52 16.215 -5.312 1.274
373 HB2 ASP 52 2HB ASP 52 14.936 -7.409 2.022
374 HB3 ASP 52 3HB ASP 52 15.428 -7.321 0.333
375 H TYR 53 H TYR 53 16.504 -4.082 3.043
376 HA TYR 53 HA TYR 53 17.627 -5.116 5.474
377 HB2 TYR 53 2HB TYR 53 18.114 -2.849 5.066
378 HB3 TYR 53 3HB TYR 53 16.441 -2.469 4.673
379 HD1 TYR 53 HD2 TYR 53 14.803 -2.096 6.431
380 HD2 TYR 53 HD1 TYR 53 18.851 -3.007 7.375
381 HE1 TYR 53 HE2 TYR 53 14.423 -1.360 8.747
382 HE2 TYR 53 HE1 TYR 53 18.481 -2.275 9.694
383 HH TYR 53 HH TYR 53 17.061 -1.297 11.112
384 H ILE 54 H ILE 54 16.594 -5.420 7.453
385 HA ILE 54 HA ILE 54 13.653 -5.511 7.374
386 HB ILE 54 HB ILE 54 15.474 -7.607 8.564
387 HG12 ILE 54 2HG1 ILE 54 13.505 -7.717 6.268
388 HG13 ILE 54 3HG1 ILE 54 15.259 -7.778 6.133
389 HG21 ILE 54 1HG2 ILE 54 12.465 -7.404 8.601
390 HG22 ILE 54 2HG2 ILE 54 13.404 -8.789 9.157
391 HG23 ILE 54 3HG2 ILE 54 13.542 -7.240 9.988
392 HD11 ILE 54 3HD1 ILE 54 14.300 -9.983 5.889
393 HD12 ILE 54 1HD1 ILE 54 15.267 -9.894 7.361
394 HD13 ILE 54 2HD1 ILE 54 13.507 -9.834 7.458
395 H CYS 55 H CYS 55 12.954 -4.048 8.781
396 HA CYS 55 HA CYS 55 14.336 -2.779 10.771
397 HB2 CYS 55 2HB CYS 55 12.131 -2.260 11.792
398 HB3 CYS 55 3HB CYS 55 12.158 -2.003 10.051
399 HA PRO 56 HA PRO 56 14.928 -5.532 14.134
400 HB2 PRO 56 2HB PRO 56 14.640 -3.870 16.261
401 HB3 PRO 56 3HB PRO 56 16.045 -3.825 15.190
402 HG2 PRO 56 2HG PRO 56 13.620 -2.071 15.205
403 HG3 PRO 56 3HG PRO 56 15.323 -1.623 15.003
404 HD2 PRO 56 2HD PRO 56 13.617 -1.846 12.912
405 HD3 PRO 56 3HD PRO 56 15.347 -2.222 12.778
406 H ASN 57 H ASN 57 11.938 -4.070 13.566
407 HA ASN 57 HA ASN 57 10.577 -5.144 15.876
408 HB2 ASN 57 2HB ASN 57 10.027 -3.141 13.991
409 HB3 ASN 57 3HB ASN 57 8.817 -4.389 13.706
410 HD21 ASN 57 1HD2 ASN 57 8.212 -1.840 14.647
411 HD22 ASN 57 2HD2 ASN 57 7.604 -1.976 16.258
412 H CYS 58 H CYS 58 10.835 -5.894 12.429
413 HA CYS 58 HA CYS 58 9.036 -8.123 12.578
414 HB2 CYS 58 2HB CYS 58 10.934 -7.134 10.453
415 HB3 CYS 58 3HB CYS 58 9.988 -8.605 10.258
416 H THR 59 H THR 59 12.548 -7.709 12.473
417 HA THR 59 HA THR 59 13.352 -10.341 12.224
418 HB THR 59 HB THR 59 14.848 -8.306 12.272
419 HG1 THR 59 HG1 THR 59 16.310 -9.820 12.402
420 HG21 THR 59 3HG2 THR 59 15.613 -7.403 14.297
421 HG22 THR 59 1HG2 THR 59 14.956 -8.737 15.244
422 HG23 THR 59 2HG2 THR 59 13.870 -7.549 14.523
423 H ILE 60 H ILE 60 12.001 -8.703 14.985
424 HA ILE 60 HA ILE 60 12.380 -11.141 16.597
425 HB ILE 60 HB ILE 60 12.121 -9.774 18.589
426 HG12 ILE 60 2HG1 ILE 60 12.396 -7.144 17.763
427 HG13 ILE 60 3HG1 ILE 60 11.217 -7.802 16.634
428 HG21 ILE 60 1HG2 ILE 60 14.276 -9.101 18.620
429 HG22 ILE 60 2HG2 ILE 60 14.323 -9.921 17.060
430 HG23 ILE 60 3HG2 ILE 60 14.121 -8.170 17.131
431 HD11 ILE 60 3HD1 ILE 60 10.773 -8.439 19.472
432 HD12 ILE 60 1HD1 ILE 60 10.581 -6.748 19.013
433 HD13 ILE 60 2HD1 ILE 60 9.625 -7.994 18.209
434 H LEU 61 H LEU 61 10.240 -10.431 14.606
435 HA LEU 61 HA LEU 61 8.007 -11.255 16.256
436 HB2 LEU 61 2HB LEU 61 7.958 -8.785 16.344
437 HB3 LEU 61 3HB LEU 61 7.836 -8.750 14.586
438 HG LEU 61 HG LEU 61 5.741 -10.382 15.684
439 HD11 LEU 61 1HD1 LEU 61 6.224 -7.741 16.978
440 HD12 LEU 61 2HD1 LEU 61 5.625 -9.246 17.675
441 HD13 LEU 61 3HD1 LEU 61 4.568 -8.261 16.662
442 HD21 LEU 61 3HD2 LEU 61 6.099 -8.891 13.495
443 HD22 LEU 61 1HD2 LEU 61 5.196 -7.738 14.477
444 HD23 LEU 61 2HD2 LEU 61 4.503 -9.319 14.113
Start of MODEL 2
1 H1 GLY 1 H GLY 1 1.203 2.397 -3.781
2 HA2 GLY 1 2HA GLY 1 2.733 -0.083 -4.180
3 HA3 GLY 1 3HA GLY 1 2.789 1.167 -5.414
4 H SER 2 H SER 2 3.043 3.467 -4.083
5 HA SER 2 HA SER 2 5.544 3.102 -2.569
6 HB2 SER 2 2HB SER 2 5.292 4.430 -4.909
7 HB3 SER 2 3HB SER 2 4.964 5.745 -3.781
8 HG SER 2 HG SER 2 7.173 5.632 -4.169
9 H MET 3 H MET 3 5.929 4.386 -0.747
10 HA MET 3 HA MET 3 3.728 4.883 0.907
11 HB2 MET 3 2HB MET 3 5.284 5.792 2.480
12 HB3 MET 3 3HB MET 3 6.084 4.459 1.659
13 HG2 MET 3 2HG MET 3 7.761 5.816 1.192
14 HG3 MET 3 3HG MET 3 6.677 6.742 0.157
15 HE1 MET 3 3HE MET 3 9.094 7.880 3.381
16 HE2 MET 3 1HE MET 3 7.848 7.157 4.399
17 HE3 MET 3 2HE MET 3 8.575 6.218 3.095
18 H ASP 4 H ASP 4 3.321 7.052 1.985
19 HA ASP 4 HA ASP 4 3.337 9.199 -0.034
20 HB2 ASP 4 2HB ASP 4 1.111 8.004 1.451
21 HB3 ASP 4 3HB ASP 4 1.159 9.762 1.551
22 HA PRO 5 HA PRO 5 5.084 11.910 2.937
23 HB2 PRO 5 2HB PRO 5 3.792 14.244 2.437
24 HB3 PRO 5 3HB PRO 5 5.000 13.562 1.342
25 HG2 PRO 5 2HG PRO 5 2.013 13.437 1.182
26 HG3 PRO 5 3HG PRO 5 3.191 13.737 -0.109
27 HD2 PRO 5 2HD PRO 5 2.029 11.321 0.269
28 HD3 PRO 5 3HD PRO 5 3.681 11.499 -0.355
29 H ASN 6 H ASN 6 1.538 12.158 2.769
30 HA ASN 6 HA ASN 6 1.442 12.919 5.587
31 HB2 ASN 6 2HB ASN 6 -0.778 12.698 3.541
32 HB3 ASN 6 3HB ASN 6 -0.955 13.316 5.181
33 HD21 ASN 6 1HD2 ASN 6 0.235 13.940 1.993
34 HD22 ASN 6 2HD2 ASN 6 0.571 15.619 2.222
35 H ALA 7 H ALA 7 2.375 10.359 5.229
36 HA ALA 7 HA ALA 7 0.112 8.741 6.201
37 HB1 ALA 7 1HB ALA 7 1.618 6.798 5.249
38 HB2 ALA 7 2HB ALA 7 0.487 7.672 4.216
39 HB3 ALA 7 3HB ALA 7 2.202 8.083 4.190
40 H LEU 8 H LEU 8 0.952 6.755 7.437
41 HA LEU 8 HA LEU 8 3.315 7.464 9.037
42 HB2 LEU 8 2HB LEU 8 0.684 6.443 10.096
43 HB3 LEU 8 3HB LEU 8 2.145 6.685 11.052
44 HG LEU 8 HG LEU 8 0.503 8.833 9.711
45 HD11 LEU 8 1HD1 LEU 8 0.240 7.529 12.209
46 HD12 LEU 8 2HD1 LEU 8 -0.659 8.915 11.594
47 HD13 LEU 8 3HD1 LEU 8 0.824 9.164 12.515
48 HD21 LEU 8 3HD2 LEU 8 3.229 8.809 10.793
49 HD22 LEU 8 1HD2 LEU 8 2.199 10.099 11.414
50 HD23 LEU 8 2HD2 LEU 8 2.456 9.937 9.677
51 H TYR 9 H TYR 9 4.575 5.771 9.736
52 HA TYR 9 HA TYR 9 3.696 3.040 9.218
53 HB2 TYR 9 2HB TYR 9 6.356 3.948 8.141
54 HB3 TYR 9 3HB TYR 9 5.483 2.461 7.790
55 HD1 TYR 9 HD1 TYR 9 5.729 6.048 7.067
56 HD2 TYR 9 HD2 TYR 9 3.686 2.426 6.167
57 HE1 TYR 9 HE1 TYR 9 4.753 7.102 5.070
58 HE2 TYR 9 HE2 TYR 9 2.706 3.469 4.167
59 HH TYR 9 HH TYR 9 2.851 5.253 2.762
60 H CYS 10 H CYS 10 6.596 4.923 10.098
61 HA CYS 10 HA CYS 10 7.890 3.097 11.667
62 HB2 CYS 10 2HB CYS 10 8.657 5.433 11.066
63 HB3 CYS 10 3HB CYS 10 7.665 6.019 12.395
64 H ILE 11 H ILE 11 8.032 2.815 13.984
65 HA ILE 11 HA ILE 11 5.621 2.180 15.196
66 HB ILE 11 HB ILE 11 6.908 2.110 17.342
67 HG12 ILE 11 2HG1 ILE 11 9.145 3.101 15.561
68 HG13 ILE 11 3HG1 ILE 11 8.447 3.952 16.935
69 HG21 ILE 11 1HG2 ILE 11 7.643 0.075 16.774
70 HG22 ILE 11 2HG2 ILE 11 7.010 0.448 15.171
71 HG23 ILE 11 3HG2 ILE 11 8.717 0.710 15.528
72 HD11 ILE 11 3HD1 ILE 11 10.595 2.956 17.487
73 HD12 ILE 11 1HD1 ILE 11 9.294 2.239 18.437
74 HD13 ILE 11 2HD1 ILE 11 9.971 1.362 17.065
75 H CYS 12 H CYS 12 7.517 5.144 15.380
76 HA CYS 12 HA CYS 12 5.933 6.344 17.428
77 HB2 CYS 12 2HB CYS 12 7.140 8.416 16.833
78 HB3 CYS 12 3HB CYS 12 8.232 7.057 17.069
79 H ARG 13 H ARG 13 5.507 5.870 14.085
80 HA ARG 13 HA ARG 13 3.878 6.489 12.624
81 HB2 ARG 13 2HB ARG 13 2.442 7.655 15.012
82 HB3 ARG 13 3HB ARG 13 1.733 7.152 13.483
83 HG2 ARG 13 2HG ARG 13 2.984 5.359 15.553
84 HG3 ARG 13 3HG ARG 13 1.263 5.521 15.195
85 HD2 ARG 13 2HD ARG 13 2.600 4.954 12.763
86 HD3 ARG 13 3HD ARG 13 3.193 3.818 13.974
87 HE ARG 13 HE ARG 13 0.332 4.079 13.941
88 HH11 ARG 13 1HH1 ARG 13 3.073 2.455 12.538
89 HH12 ARG 13 2HH1 ARG 13 2.161 1.072 12.032
90 HH21 ARG 13 1HH2 ARG 13 -0.881 2.263 13.280
91 HH22 ARG 13 2HH2 ARG 13 -0.089 0.964 12.454
92 H GLN 14 H GLN 14 5.672 8.031 12.016
93 HA GLN 14 HA GLN 14 4.625 10.773 12.129
94 HB2 GLN 14 2HB GLN 14 7.289 9.795 12.961
95 HB3 GLN 14 3HB GLN 14 7.284 11.254 11.979
96 HG2 GLN 14 2HG GLN 14 5.409 11.954 13.724
97 HG3 GLN 14 3HG GLN 14 6.295 10.811 14.732
98 HE21 GLN 14 1HE2 GLN 14 6.072 13.590 15.199
99 HE22 GLN 14 2HE2 GLN 14 7.656 14.273 15.096
100 HA PRO 15 HA PRO 15 5.206 10.922 7.785
101 HB2 PRO 15 2HB PRO 15 5.998 13.489 7.395
102 HB3 PRO 15 3HB PRO 15 4.345 13.051 7.841
103 HG2 PRO 15 2HG PRO 15 6.573 14.048 9.574
104 HG3 PRO 15 3HG PRO 15 4.861 14.508 9.578
105 HD2 PRO 15 2HD PRO 15 5.908 12.773 11.374
106 HD3 PRO 15 3HD PRO 15 4.235 12.651 10.791
107 H HIS 16 H HIS 16 6.743 10.872 6.125
108 HA HIS 16 HA HIS 16 9.435 10.339 6.988
109 HB2 HIS 16 2HB HIS 16 9.805 9.467 4.850
110 HB3 HIS 16 3HB HIS 16 8.097 9.137 5.128
111 HD1 HIS 16 HD1 HIS 16 9.760 9.671 2.343
112 HD2 HIS 16 HD2 HIS 16 6.968 12.119 4.207
113 HE1 HIS 16 HE1 HIS 16 8.848 11.154 0.528
114 H ASN 17 H ASN 17 7.831 13.134 6.316
115 HA ASN 17 HA ASN 17 10.005 14.474 4.929
116 HB2 ASN 17 2HB ASN 17 8.451 16.499 5.251
117 HB3 ASN 17 3HB ASN 17 7.898 15.211 4.185
118 HD21 ASN 17 1HD2 ASN 17 7.785 16.119 7.613
119 HD22 ASN 17 2HD2 ASN 17 6.136 15.663 7.854
120 H ASN 18 H ASN 18 10.824 13.462 7.366
121 HA ASN 18 HA ASN 18 11.324 15.941 8.864
122 HB2 ASN 18 2HB ASN 18 10.485 13.262 9.954
123 HB3 ASN 18 3HB ASN 18 11.366 14.419 10.947
124 HD21 ASN 18 1HD2 ASN 18 9.761 14.870 12.368
125 HD22 ASN 18 2HD2 ASN 18 8.289 15.666 11.935
126 H ARG 19 H ARG 19 12.373 12.598 9.407
127 HA ARG 19 HA ARG 19 15.135 13.457 8.845
128 HB2 ARG 19 2HB ARG 19 15.944 12.146 10.661
129 HB3 ARG 19 3HB ARG 19 14.612 13.109 11.286
130 HG2 ARG 19 2HG ARG 19 13.413 10.756 10.441
131 HG3 ARG 19 3HG ARG 19 14.930 10.241 11.182
132 HD2 ARG 19 2HD ARG 19 12.934 12.094 12.474
133 HD3 ARG 19 3HD ARG 19 13.025 10.359 12.773
134 HE ARG 19 HE ARG 19 15.529 11.633 13.222
135 HH11 ARG 19 1HH1 ARG 19 12.392 11.078 14.625
136 HH12 ARG 19 2HH1 ARG 19 12.950 11.238 16.258
137 HH21 ARG 19 1HH2 ARG 19 16.276 11.847 15.367
138 HH22 ARG 19 2HH2 ARG 19 15.159 11.677 16.678
139 H PHE 20 H PHE 20 16.567 11.334 8.700
140 HA PHE 20 HA PHE 20 15.971 10.078 6.317
141 HB2 PHE 20 2HB PHE 20 18.217 10.034 7.154
142 HB3 PHE 20 3HB PHE 20 17.721 9.164 8.602
143 HD1 PHE 20 HD1 PHE 20 18.393 8.896 5.012
144 HD2 PHE 20 HD2 PHE 20 17.337 6.793 8.559
145 HE1 PHE 20 HE1 PHE 20 18.878 6.763 3.887
146 HE2 PHE 20 HE2 PHE 20 17.821 4.656 7.440
147 HZ PHE 20 HZ PHE 20 18.593 4.639 5.101
148 H MET 21 H MET 21 15.174 8.045 5.743
149 HA MET 21 HA MET 21 13.860 6.469 7.829
150 HB2 MET 21 2HB MET 21 12.521 7.915 5.602
151 HB3 MET 21 3HB MET 21 11.934 6.302 5.984
152 HG2 MET 21 2HG MET 21 11.872 7.195 8.423
153 HG3 MET 21 3HG MET 21 11.886 8.775 7.645
154 HE1 MET 21 3HE MET 21 10.178 5.466 8.221
155 HE2 MET 21 1HE MET 21 9.401 6.591 9.335
156 HE3 MET 21 2HE MET 21 8.466 5.849 8.037
157 H ILE 22 H ILE 22 13.406 4.295 7.223
158 HA ILE 22 HA ILE 22 14.842 3.405 4.807
159 HB ILE 22 HB ILE 22 16.025 2.854 6.946
160 HG12 ILE 22 2HG1 ILE 22 15.085 0.333 5.600
161 HG13 ILE 22 3HG1 ILE 22 16.080 1.505 4.743
162 HG21 ILE 22 1HG2 ILE 22 14.391 0.598 7.651
163 HG22 ILE 22 2HG2 ILE 22 14.970 1.921 8.662
164 HG23 ILE 22 3HG2 ILE 22 13.461 2.092 7.765
165 HD11 ILE 22 3HD1 ILE 22 17.842 1.243 6.376
166 HD12 ILE 22 1HD1 ILE 22 16.839 0.133 7.310
167 HD13 ILE 22 2HD1 ILE 22 17.394 -0.323 5.699
168 H CYS 23 H CYS 23 14.054 1.492 3.788
169 HA CYS 23 HA CYS 23 11.184 1.070 4.253
170 HB2 CYS 23 2HB CYS 23 11.723 1.881 2.022
171 HB3 CYS 23 3HB CYS 23 12.868 0.566 1.792
172 HG CYS 23 HG CYS 23 9.605 -0.166 2.400
173 H CYS 24 H CYS 24 10.530 -0.788 5.098
174 HA CYS 24 HA CYS 24 12.427 -3.017 5.232
175 HB2 CYS 24 2HB CYS 24 11.564 -2.335 7.378
176 HB3 CYS 24 3HB CYS 24 9.907 -2.422 6.792
177 H ASP 25 H ASP 25 12.198 -4.697 3.927
178 HA ASP 25 HA ASP 25 9.909 -4.941 2.212
179 HB2 ASP 25 2HB ASP 25 12.552 -6.257 2.473
180 HB3 ASP 25 3HB ASP 25 11.270 -7.222 1.747
181 H ARG 26 H ARG 26 10.970 -6.367 5.190
182 HA ARG 26 HA ARG 26 9.591 -8.767 5.216
183 HB2 ARG 26 2HB ARG 26 11.145 -7.504 6.999
184 HB3 ARG 26 3HB ARG 26 9.576 -7.172 7.721
185 HG2 ARG 26 2HG ARG 26 10.551 -9.926 7.002
186 HG3 ARG 26 3HG ARG 26 10.708 -9.200 8.603
187 HD2 ARG 26 2HD ARG 26 8.333 -9.067 8.849
188 HD3 ARG 26 3HD ARG 26 8.081 -9.545 7.171
189 HE ARG 26 HE ARG 26 9.458 -11.627 8.268
190 HH11 ARG 26 1HH1 ARG 26 6.502 -9.959 9.041
191 HH12 ARG 26 2HH1 ARG 26 5.747 -11.351 9.744
192 HH21 ARG 26 1HH2 ARG 26 8.475 -13.467 9.190
193 HH22 ARG 26 2HH2 ARG 26 6.871 -13.346 9.829
194 H CYS 27 H CYS 27 8.433 -5.763 6.760
195 HA CYS 27 HA CYS 27 5.698 -6.763 6.568
196 HB2 CYS 27 2HB CYS 27 5.151 -4.808 8.016
197 HB3 CYS 27 3HB CYS 27 6.334 -5.898 8.729
198 H GLU 28 H GLU 28 7.784 -4.868 4.783
199 HA GLU 28 HA GLU 28 7.507 -3.547 2.951
200 HB2 GLU 28 2HB GLU 28 5.629 -5.324 2.591
201 HB3 GLU 28 3HB GLU 28 4.545 -4.009 3.023
202 HG2 GLU 28 2HG GLU 28 5.238 -2.707 1.172
203 HG3 GLU 28 3HG GLU 28 6.588 -3.788 0.833
204 H GLU 29 H GLU 29 7.746 -2.184 5.228
205 HA GLU 29 HA GLU 29 5.939 0.088 4.820
206 HB2 GLU 29 2HB GLU 29 5.945 -1.596 7.117
207 HB3 GLU 29 3HB GLU 29 6.599 -0.034 7.590
208 HG2 GLU 29 2HG GLU 29 4.526 0.707 7.769
209 HG3 GLU 29 3HG GLU 29 4.371 0.552 6.020
210 H TRP 30 H TRP 30 6.893 1.855 6.605
211 HA TRP 30 HA TRP 30 9.756 2.069 5.933
212 HB2 TRP 30 2HB TRP 30 7.572 4.130 5.917
213 HB3 TRP 30 3HB TRP 30 9.249 4.614 6.154
214 HD1 TRP 30 HD1 TRP 30 6.862 3.284 3.498
215 HE1 TRP 30 HE1 TRP 30 7.997 3.464 1.195
216 HE3 TRP 30 HE3 TRP 30 11.564 4.603 5.011
217 HZ2 TRP 30 HZ2 TRP 30 10.548 4.082 0.157
218 HZ3 TRP 30 HZ3 TRP 30 13.294 4.970 3.300
219 HH2 TRP 30 HH2 TRP 30 12.795 4.714 0.924
220 H PHE 31 H PHE 31 11.117 3.120 7.462
221 HA PHE 31 HA PHE 31 10.014 3.578 10.126
222 HB2 PHE 31 2HB PHE 31 12.242 1.621 9.535
223 HB3 PHE 31 3HB PHE 31 11.837 2.201 11.148
224 HD1 PHE 31 HD2 PHE 31 10.720 0.143 8.324
225 HD2 PHE 31 HD1 PHE 31 9.906 1.398 12.309
226 HE1 PHE 31 HE2 PHE 31 9.051 -1.651 8.545
227 HE2 PHE 31 HE1 PHE 31 8.237 -0.394 12.536
228 HZ PHE 31 HZ PHE 31 7.806 -1.921 10.652
229 H HIS 32 H HIS 32 11.840 4.379 11.627
230 HA HIS 32 HA HIS 32 13.362 6.385 10.122
231 HB2 HIS 32 2HB HIS 32 12.328 6.256 12.940
232 HB3 HIS 32 3HB HIS 32 13.629 7.365 12.516
233 HD2 HIS 32 HD2 HIS 32 12.576 8.720 9.842
234 HE1 HIS 32 HE1 HIS 32 8.924 9.355 11.905
235 HE2 HIS 32 HE2 HIS 32 10.304 9.956 9.886
236 H GLY 33 H GLY 33 15.517 6.318 10.007
237 HA2 GLY 33 2HA GLY 33 17.033 4.128 10.732
238 HA3 GLY 33 3HA GLY 33 17.697 5.725 10.421
239 H ASP 34 H ASP 34 16.233 6.949 12.646
240 HA ASP 34 HA ASP 34 18.162 6.419 14.697
241 HB2 ASP 34 2HB ASP 34 17.035 8.669 14.107
242 HB3 ASP 34 3HB ASP 34 15.683 8.081 15.071
243 H CYS 35 H CYS 35 14.697 5.827 14.288
244 HA CYS 35 HA CYS 35 14.256 4.759 16.867
245 HB2 CYS 35 2HB CYS 35 12.756 4.414 14.268
246 HB3 CYS 35 3HB CYS 35 12.194 3.764 15.803
247 H VAL 36 H VAL 36 15.108 3.284 13.772
248 HA VAL 36 HA VAL 36 15.054 0.609 14.859
249 HB VAL 36 HB VAL 36 15.999 -0.040 12.634
250 HG11 VAL 36 1HG1 VAL 36 13.590 1.697 12.230
251 HG12 VAL 36 2HG1 VAL 36 13.953 0.117 11.533
252 HG13 VAL 36 3HG1 VAL 36 13.512 0.250 13.235
253 HG21 VAL 36 3HG2 VAL 36 15.408 2.428 11.286
254 HG22 VAL 36 1HG2 VAL 36 16.655 2.681 12.507
255 HG23 VAL 36 2HG2 VAL 36 16.883 1.463 11.253
256 H GLY 37 H GLY 37 17.398 3.125 14.330
257 HA2 GLY 37 2HA GLY 37 19.413 3.105 15.671
258 HA3 GLY 37 3HA GLY 37 19.457 1.358 15.486
259 H ILE 38 H ILE 38 18.633 2.021 12.543
260 HA ILE 38 HA ILE 38 21.206 1.692 11.441
261 HB ILE 38 HB ILE 38 18.651 2.576 10.095
262 HG12 ILE 38 2HG1 ILE 38 18.546 0.355 11.184
263 HG13 ILE 38 3HG1 ILE 38 18.437 0.243 9.431
264 HG21 ILE 38 1HG2 ILE 38 21.380 2.164 9.092
265 HG22 ILE 38 2HG2 ILE 38 20.114 1.359 8.167
266 HG23 ILE 38 3HG2 ILE 38 20.049 3.103 8.416
267 HD11 ILE 38 3HD1 ILE 38 20.270 -1.019 11.197
268 HD12 ILE 38 1HD1 ILE 38 20.100 -1.207 9.452
269 HD13 ILE 38 2HD1 ILE 38 21.165 0.038 10.106
270 H SER 39 H SER 39 22.612 3.093 10.474
271 HA SER 39 HA SER 39 22.247 5.912 11.122
272 HB2 SER 39 2HB SER 39 24.708 4.710 9.868
273 HB3 SER 39 3HB SER 39 24.578 6.157 10.868
274 HG SER 39 HG SER 39 25.367 4.002 11.794
275 H GLU 40 H GLU 40 22.504 7.585 9.591
276 HA GLU 40 HA GLU 40 21.145 7.308 7.208
277 HB2 GLU 40 2HB GLU 40 23.207 9.336 8.061
278 HB3 GLU 40 3HB GLU 40 22.328 9.463 6.543
279 HG2 GLU 40 2HG GLU 40 20.834 10.634 7.697
280 HG3 GLU 40 3HG GLU 40 20.314 9.082 8.353
281 H ALA 41 H ALA 41 24.558 6.861 7.867
282 HA ALA 41 HA ALA 41 25.330 6.680 5.111
283 HB1 ALA 41 1HB ALA 41 26.727 7.192 7.321
284 HB2 ALA 41 2HB ALA 41 27.029 5.458 7.206
285 HB3 ALA 41 3HB ALA 41 27.464 6.520 5.867
286 H ARG 42 H ARG 42 24.534 4.385 7.671
287 HA ARG 42 HA ARG 42 25.261 2.052 6.233
288 HB2 ARG 42 2HB ARG 42 24.431 2.620 8.816
289 HB3 ARG 42 3HB ARG 42 23.104 1.673 8.158
290 HG2 ARG 42 2HG ARG 42 24.306 -0.095 8.790
291 HG3 ARG 42 3HG ARG 42 25.275 0.232 7.352
292 HD2 ARG 42 2HD ARG 42 26.843 1.526 8.648
293 HD3 ARG 42 3HD ARG 42 25.834 1.373 10.086
294 HE ARG 42 HE ARG 42 26.465 -1.197 9.214
295 HH11 ARG 42 1HH1 ARG 42 28.080 1.608 10.495
296 HH12 ARG 42 2HH1 ARG 42 29.346 0.696 11.249
297 HH21 ARG 42 1HH2 ARG 42 28.125 -2.409 10.202
298 HH22 ARG 42 2HH2 ARG 42 29.371 -1.589 11.081
299 H GLY 43 H GLY 43 22.104 3.594 6.835
300 HA2 GLY 43 2HA GLY 43 20.527 1.805 5.387
301 HA3 GLY 43 3HA GLY 43 20.129 3.493 5.671
302 H ARG 44 H ARG 44 22.001 4.852 4.274
303 HA ARG 44 HA ARG 44 21.050 4.715 1.641
304 HB2 ARG 44 2HB ARG 44 23.127 6.232 3.088
305 HB3 ARG 44 3HB ARG 44 23.386 6.076 1.356
306 HG2 ARG 44 2HG ARG 44 20.732 6.964 2.400
307 HG3 ARG 44 3HG ARG 44 22.073 8.105 2.276
308 HD2 ARG 44 2HD ARG 44 22.231 7.814 -0.063
309 HD3 ARG 44 3HD ARG 44 21.198 6.386 -0.029
310 HE ARG 44 HE ARG 44 19.776 8.616 0.947
311 HH11 ARG 44 1HH1 ARG 44 21.051 7.293 -2.010
312 HH12 ARG 44 2HH1 ARG 44 19.863 8.053 -3.016
313 HH21 ARG 44 1HH2 ARG 44 18.206 9.622 -0.367
314 HH22 ARG 44 2HH2 ARG 44 18.245 9.378 -2.080
315 H LEU 45 H LEU 45 23.646 3.071 3.226
316 HA LEU 45 HA LEU 45 25.111 2.372 0.879
317 HB2 LEU 45 2HB LEU 45 26.033 2.418 3.200
318 HB3 LEU 45 3HB LEU 45 25.091 0.968 3.545
319 HG LEU 45 HG LEU 45 26.384 -0.151 1.675
320 HD11 LEU 45 1HD1 LEU 45 27.633 1.173 0.399
321 HD12 LEU 45 2HD1 LEU 45 28.746 1.294 1.762
322 HD13 LEU 45 3HD1 LEU 45 27.496 2.517 1.534
323 HD21 LEU 45 3HD2 LEU 45 26.906 0.122 4.356
324 HD22 LEU 45 1HD2 LEU 45 28.451 0.536 3.612
325 HD23 LEU 45 2HD2 LEU 45 27.693 -1.018 3.264
326 H LEU 46 H LEU 46 22.734 0.682 2.902
327 HA LEU 46 HA LEU 46 22.755 -1.762 1.538
328 HB2 LEU 46 2HB LEU 46 20.414 -0.467 2.926
329 HB3 LEU 46 3HB LEU 46 20.606 -2.183 2.571
330 HG LEU 46 HG LEU 46 22.238 -0.564 4.526
331 HD11 LEU 46 1HD1 LEU 46 21.169 -1.924 6.216
332 HD12 LEU 46 2HD1 LEU 46 20.259 -2.792 4.980
333 HD13 LEU 46 3HD1 LEU 46 19.949 -1.079 5.263
334 HD21 LEU 46 3HD2 LEU 46 23.692 -2.188 3.599
335 HD22 LEU 46 1HD2 LEU 46 22.440 -3.430 3.630
336 HD23 LEU 46 2HD2 LEU 46 23.135 -2.841 5.140
337 H GLU 47 H GLU 47 21.285 1.285 0.763
338 HA GLU 47 HA GLU 47 19.425 0.262 -1.155
339 HB2 GLU 47 2HB GLU 47 20.493 3.028 -0.604
340 HB3 GLU 47 3HB GLU 47 19.333 2.696 -1.882
341 HG2 GLU 47 2HG GLU 47 18.785 1.872 0.940
342 HG3 GLU 47 3HG GLU 47 18.475 3.519 0.395
343 H ARG 48 H ARG 48 22.749 1.320 -1.223
344 HA ARG 48 HA ARG 48 22.881 1.433 -4.103
345 HB2 ARG 48 2HB ARG 48 24.513 2.278 -1.914
346 HB3 ARG 48 3HB ARG 48 25.480 1.259 -2.971
347 HG2 ARG 48 2HG ARG 48 25.752 3.511 -3.678
348 HG3 ARG 48 3HG ARG 48 24.761 2.688 -4.884
349 HD2 ARG 48 2HD ARG 48 22.865 3.648 -3.185
350 HD3 ARG 48 3HD ARG 48 24.096 4.906 -3.080
351 HE ARG 48 HE ARG 48 22.418 4.302 -5.337
352 HH11 ARG 48 1HH1 ARG 48 25.408 5.742 -4.286
353 HH12 ARG 48 2HH1 ARG 48 25.543 6.783 -5.665
354 HH21 ARG 48 1HH2 ARG 48 22.584 5.667 -7.157
355 HH22 ARG 48 2HH2 ARG 48 23.936 6.740 -7.297
356 H ASN 49 H ASN 49 23.444 -0.907 -1.602
357 HA ASN 49 HA ASN 49 24.821 -2.721 -3.423
358 HB2 ASN 49 2HB ASN 49 24.444 -2.537 -0.495
359 HB3 ASN 49 3HB ASN 49 24.497 -4.169 -1.155
360 HD21 ASN 49 1HD2 ASN 49 26.354 -2.245 0.421
361 HD22 ASN 49 2HD2 ASN 49 27.883 -2.482 -0.347
362 H GLY 50 H GLY 50 21.676 -2.130 -2.139
363 HA2 GLY 50 2HA GLY 50 19.657 -3.058 -2.787
364 HA3 GLY 50 3HA GLY 50 20.542 -4.160 -3.832
365 H GLU 51 H GLU 51 20.676 -3.640 -0.315
366 HA GLU 51 HA GLU 51 20.233 -6.524 0.028
367 HB2 GLU 51 2HB GLU 51 21.563 -4.458 1.774
368 HB3 GLU 51 3HB GLU 51 21.134 -6.056 2.368
369 HG2 GLU 51 2HG GLU 51 22.570 -7.087 0.710
370 HG3 GLU 51 3HG GLU 51 22.963 -5.503 0.043
371 H ASP 52 H ASP 52 18.279 -7.138 0.642
372 HA ASP 52 HA ASP 52 16.224 -5.390 1.399
373 HB2 ASP 52 2HB ASP 52 15.079 -7.549 2.171
374 HB3 ASP 52 3HB ASP 52 15.557 -7.455 0.478
375 H TYR 53 H TYR 53 16.331 -4.165 3.173
376 HA TYR 53 HA TYR 53 17.554 -5.151 5.605
377 HB2 TYR 53 2HB TYR 53 18.045 -2.888 5.173
378 HB3 TYR 53 3HB TYR 53 16.373 -2.511 4.773
379 HD1 TYR 53 HD1 TYR 53 18.775 -3.029 7.487
380 HD2 TYR 53 HD2 TYR 53 14.733 -2.113 6.523
381 HE1 TYR 53 HE1 TYR 53 18.402 -2.273 9.797
382 HE2 TYR 53 HE2 TYR 53 14.349 -1.354 8.831
383 HH TYR 53 HH TYR 53 16.845 -1.673 11.310
384 H ILE 54 H ILE 54 16.513 -5.436 7.582
385 HA ILE 54 HA ILE 54 13.572 -5.521 7.494
386 HB ILE 54 HB ILE 54 15.382 -7.612 8.710
387 HG12 ILE 54 2HG1 ILE 54 13.427 -7.738 6.403
388 HG13 ILE 54 3HG1 ILE 54 15.182 -7.801 6.279
389 HG21 ILE 54 1HG2 ILE 54 13.444 -7.231 10.119
390 HG22 ILE 54 2HG2 ILE 54 12.375 -7.397 8.728
391 HG23 ILE 54 3HG2 ILE 54 13.303 -8.784 9.296
392 HD11 ILE 54 3HD1 ILE 54 13.417 -9.845 7.605
393 HD12 ILE 54 1HD1 ILE 54 14.227 -10.007 6.047
394 HD13 ILE 54 2HD1 ILE 54 15.178 -9.906 7.530
395 H CYS 55 H CYS 55 12.870 -4.048 8.889
396 HA CYS 55 HA CYS 55 14.249 -2.765 10.872
397 HB2 CYS 55 2HB CYS 55 12.041 -2.235 11.883
398 HB3 CYS 55 3HB CYS 55 12.075 -1.991 10.141
399 HA PRO 56 HA PRO 56 14.827 -5.494 14.257
400 HB2 PRO 56 2HB PRO 56 14.540 -3.813 16.370
401 HB3 PRO 56 3HB PRO 56 15.948 -3.781 15.301
402 HG2 PRO 56 2HG PRO 56 13.527 -2.020 15.298
403 HG3 PRO 56 3HG PRO 56 15.232 -1.578 15.095
404 HD2 PRO 56 2HD PRO 56 13.529 -1.814 13.003
405 HD3 PRO 56 3HD PRO 56 15.258 -2.196 12.875
406 H ASN 57 H ASN 57 11.843 -4.020 13.678
407 HA ASN 57 HA ASN 57 10.476 -5.077 15.992
408 HB2 ASN 57 2HB ASN 57 9.937 -3.079 14.104
409 HB3 ASN 57 3HB ASN 57 8.726 -4.324 13.809
410 HD21 ASN 57 1HD2 ASN 57 8.116 -1.777 14.745
411 HD22 ASN 57 2HD2 ASN 57 7.496 -1.912 16.353
412 H CYS 58 H CYS 58 10.751 -5.855 12.554
413 HA CYS 58 HA CYS 58 8.934 -8.071 12.707
414 HB2 CYS 58 2HB CYS 58 10.846 -7.096 10.589
415 HB3 CYS 58 3HB CYS 58 9.915 -8.577 10.398
416 H THR 59 H THR 59 12.453 -7.691 12.581
417 HA THR 59 HA THR 59 13.247 -10.318 12.365
418 HB THR 59 HB THR 59 14.762 -8.311 12.424
419 HG1 THR 59 HG1 THR 59 15.539 -10.402 14.198
420 HG21 THR 59 3HG2 THR 59 14.587 -8.675 15.416
421 HG22 THR 59 1HG2 THR 59 13.833 -7.353 14.525
422 HG23 THR 59 2HG2 THR 59 15.589 -7.515 14.545
423 H ILE 60 H ILE 60 11.905 -8.665 15.130
424 HA ILE 60 HA ILE 60 12.329 -11.056 16.787
425 HB ILE 60 HB ILE 60 11.811 -9.661 18.718
426 HG12 ILE 60 2HG1 ILE 60 11.885 -7.054 17.955
427 HG13 ILE 60 3HG1 ILE 60 11.006 -7.761 16.603
428 HG21 ILE 60 1HG2 ILE 60 14.102 -9.577 17.202
429 HG22 ILE 60 2HG2 ILE 60 13.748 -7.873 17.483
430 HG23 ILE 60 3HG2 ILE 60 13.931 -8.972 18.850
431 HD11 ILE 60 3HD1 ILE 60 10.247 -7.672 19.495
432 HD12 ILE 60 1HD1 ILE 60 9.349 -7.099 18.090
433 HD13 ILE 60 2HD1 ILE 60 9.515 -8.830 18.384
434 H LEU 61 H LEU 61 9.932 -9.162 15.191
435 HA LEU 61 HA LEU 61 7.837 -10.878 16.348
436 HB2 LEU 61 2HB LEU 61 7.953 -8.288 16.903
437 HB3 LEU 61 3HB LEU 61 7.141 -8.169 15.343
438 HG LEU 61 HG LEU 61 5.530 -8.123 17.154
439 HD11 LEU 61 1HD1 LEU 61 4.129 -10.058 16.457
440 HD12 LEU 61 2HD1 LEU 61 5.504 -10.661 15.533
441 HD13 LEU 61 3HD1 LEU 61 4.771 -9.113 15.113
442 HD21 LEU 61 3HD2 LEU 61 5.226 -9.987 18.659
443 HD22 LEU 61 1HD2 LEU 61 6.879 -9.385 18.792
444 HD23 LEU 61 2HD2 LEU 61 6.550 -10.864 17.890
Start of MODEL 3
1 H1 GLY 1 H GLY 1 7.501 -2.212 -2.437
2 HA2 GLY 1 2HA GLY 1 5.827 -1.067 -3.606
3 HA3 GLY 1 3HA GLY 1 5.249 -0.911 -1.953
4 H SER 2 H SER 2 4.347 1.076 -1.985
5 HA SER 2 HA SER 2 6.163 3.330 -2.468
6 HB2 SER 2 2HB SER 2 3.888 4.445 -3.341
7 HB3 SER 2 3HB SER 2 5.001 3.605 -4.421
8 HG SER 2 HG SER 2 3.407 2.318 -4.836
9 H MET 3 H MET 3 5.676 5.232 -1.295
10 HA MET 3 HA MET 3 3.689 4.899 0.851
11 HB2 MET 3 2HB MET 3 5.201 5.804 2.473
12 HB3 MET 3 3HB MET 3 6.023 4.482 1.655
13 HG2 MET 3 2HG MET 3 7.706 5.846 1.235
14 HG3 MET 3 3HG MET 3 6.641 6.790 0.197
15 HE1 MET 3 3HE MET 3 9.042 7.925 3.394
16 HE2 MET 3 1HE MET 3 7.836 7.166 4.434
17 HE3 MET 3 2HE MET 3 8.551 6.256 3.103
18 H ASP 4 H ASP 4 3.236 7.041 1.964
19 HA ASP 4 HA ASP 4 3.228 9.210 -0.032
20 HB2 ASP 4 2HB ASP 4 1.048 8.021 1.547
21 HB3 ASP 4 3HB ASP 4 1.087 9.782 1.572
22 HA PRO 5 HA PRO 5 5.040 11.917 2.903
23 HB2 PRO 5 2HB PRO 5 3.728 14.249 2.442
24 HB3 PRO 5 3HB PRO 5 4.911 13.574 1.316
25 HG2 PRO 5 2HG PRO 5 1.922 13.439 1.229
26 HG3 PRO 5 3HG PRO 5 3.066 13.747 -0.090
27 HD2 PRO 5 2HD PRO 5 1.921 11.326 0.310
28 HD3 PRO 5 3HD PRO 5 3.558 11.511 -0.354
29 H ASN 6 H ASN 6 1.492 12.241 2.815
30 HA ASN 6 HA ASN 6 1.469 12.952 5.643
31 HB2 ASN 6 2HB ASN 6 -0.786 12.790 3.631
32 HB3 ASN 6 3HB ASN 6 -0.944 13.359 5.290
33 HD21 ASN 6 1HD2 ASN 6 -0.315 14.219 2.113
34 HD22 ASN 6 2HD2 ASN 6 0.239 15.833 2.389
35 H ALA 7 H ALA 7 2.359 10.376 5.211
36 HA ALA 7 HA ALA 7 0.091 8.766 6.190
37 HB1 ALA 7 1HB ALA 7 1.327 6.790 5.226
38 HB2 ALA 7 2HB ALA 7 0.631 7.908 4.051
39 HB3 ALA 7 3HB ALA 7 2.361 7.951 4.392
40 H LEU 8 H LEU 8 0.936 6.762 7.414
41 HA LEU 8 HA LEU 8 3.269 7.474 9.055
42 HB2 LEU 8 2HB LEU 8 0.626 6.446 10.077
43 HB3 LEU 8 3HB LEU 8 2.074 6.688 11.051
44 HG LEU 8 HG LEU 8 0.439 8.834 9.699
45 HD11 LEU 8 1HD1 LEU 8 0.741 9.163 12.505
46 HD12 LEU 8 2HD1 LEU 8 0.164 7.526 12.194
47 HD13 LEU 8 3HD1 LEU 8 -0.735 8.911 11.574
48 HD21 LEU 8 3HD2 LEU 8 3.160 8.817 10.790
49 HD22 LEU 8 1HD2 LEU 8 2.124 10.099 11.420
50 HD23 LEU 8 2HD2 LEU 8 2.384 9.950 9.682
51 H TYR 9 H TYR 9 4.531 5.783 9.742
52 HA TYR 9 HA TYR 9 3.657 3.051 9.220
53 HB2 TYR 9 2HB TYR 9 6.318 3.965 8.151
54 HB3 TYR 9 3HB TYR 9 5.450 2.476 7.797
55 HD1 TYR 9 HD2 TYR 9 5.706 6.057 7.064
56 HD2 TYR 9 HD1 TYR 9 3.642 2.442 6.180
57 HE1 TYR 9 HE2 TYR 9 4.732 7.109 5.066
58 HE2 TYR 9 HE1 TYR 9 2.664 3.484 4.179
59 HH TYR 9 HH TYR 9 2.314 5.454 3.112
60 H CYS 10 H CYS 10 6.546 4.945 10.116
61 HA CYS 10 HA CYS 10 7.842 3.118 11.685
62 HB2 CYS 10 2HB CYS 10 8.599 5.461 11.090
63 HB3 CYS 10 3HB CYS 10 7.604 6.037 12.422
64 H ILE 11 H ILE 11 7.980 2.839 14.003
65 HA ILE 11 HA ILE 11 5.568 2.187 15.206
66 HB ILE 11 HB ILE 11 6.837 2.100 17.350
67 HG12 ILE 11 2HG1 ILE 11 9.072 3.182 15.621
68 HG13 ILE 11 3HG1 ILE 11 8.338 3.981 17.007
69 HG21 ILE 11 1HG2 ILE 11 7.640 0.095 16.762
70 HG22 ILE 11 2HG2 ILE 11 7.006 0.474 15.161
71 HG23 ILE 11 3HG2 ILE 11 8.703 0.777 15.532
72 HD11 ILE 11 3HD1 ILE 11 10.527 2.159 16.926
73 HD12 ILE 11 1HD1 ILE 11 9.884 3.069 18.292
74 HD13 ILE 11 2HD1 ILE 11 9.232 1.476 17.908
75 H CYS 12 H CYS 12 7.439 5.165 15.390
76 HA CYS 12 HA CYS 12 5.837 6.353 17.434
77 HB2 CYS 12 2HB CYS 12 7.034 8.437 16.836
78 HB3 CYS 12 3HB CYS 12 8.129 7.086 17.103
79 H ARG 13 H ARG 13 5.436 5.878 14.089
80 HA ARG 13 HA ARG 13 3.814 6.491 12.617
81 HB2 ARG 13 2HB ARG 13 2.357 7.642 14.999
82 HB3 ARG 13 3HB ARG 13 1.659 7.145 13.463
83 HG2 ARG 13 2HG ARG 13 2.905 5.344 15.529
84 HG3 ARG 13 3HG ARG 13 1.186 5.504 15.166
85 HD2 ARG 13 2HD ARG 13 2.536 4.955 12.735
86 HD3 ARG 13 3HD ARG 13 3.122 3.811 13.943
87 HE ARG 13 HE ARG 13 0.495 3.913 12.781
88 HH11 ARG 13 1HH1 ARG 13 2.374 2.887 15.526
89 HH12 ARG 13 2HH1 ARG 13 1.258 1.647 15.992
90 HH21 ARG 13 1HH2 ARG 13 -0.982 2.283 13.383
91 HH22 ARG 13 2HH2 ARG 13 -0.650 1.303 14.771
92 H GLN 14 H GLN 14 5.604 8.043 12.023
93 HA GLN 14 HA GLN 14 4.542 10.779 12.135
94 HB2 GLN 14 2HB GLN 14 7.205 9.813 12.979
95 HB3 GLN 14 3HB GLN 14 7.201 11.271 11.995
96 HG2 GLN 14 2HG GLN 14 5.204 11.430 14.060
97 HG3 GLN 14 3HG GLN 14 6.790 11.075 14.742
98 HE21 GLN 14 1HE2 GLN 14 8.531 12.424 13.317
99 HE22 GLN 14 2HE2 GLN 14 8.206 14.120 13.326
100 HA PRO 15 HA PRO 15 5.140 10.940 7.794
101 HB2 PRO 15 2HB PRO 15 5.923 13.511 7.412
102 HB3 PRO 15 3HB PRO 15 4.270 13.066 7.851
103 HG2 PRO 15 2HG PRO 15 6.488 14.068 9.594
104 HG3 PRO 15 3HG PRO 15 4.773 14.522 9.593
105 HD2 PRO 15 2HD PRO 15 5.820 12.787 11.389
106 HD3 PRO 15 3HD PRO 15 4.150 12.659 10.800
107 H HIS 16 H HIS 16 6.684 10.895 6.141
108 HA HIS 16 HA HIS 16 9.374 10.374 7.014
109 HB2 HIS 16 2HB HIS 16 9.757 9.506 4.875
110 HB3 HIS 16 3HB HIS 16 8.051 9.166 5.149
111 HD1 HIS 16 HD1 HIS 16 9.706 9.702 2.365
112 HD2 HIS 16 HD2 HIS 16 6.914 12.149 4.230
113 HE1 HIS 16 HE1 HIS 16 8.790 11.183 0.550
114 H ASN 17 H ASN 17 7.761 13.162 6.339
115 HA ASN 17 HA ASN 17 9.934 14.512 4.959
116 HB2 ASN 17 2HB ASN 17 8.371 16.530 5.277
117 HB3 ASN 17 3HB ASN 17 7.826 15.241 4.209
118 HD21 ASN 17 1HD2 ASN 17 7.701 16.147 7.637
119 HD22 ASN 17 2HD2 ASN 17 6.053 15.685 7.874
120 H ASN 18 H ASN 18 10.749 13.501 7.398
121 HA ASN 18 HA ASN 18 11.231 15.981 8.902
122 HB2 ASN 18 2HB ASN 18 10.237 13.356 9.918
123 HB3 ASN 18 3HB ASN 18 11.340 14.278 10.935
124 HD21 ASN 18 1HD2 ASN 18 9.964 14.899 12.500
125 HD22 ASN 18 2HD2 ASN 18 8.584 15.906 12.242
126 H ARG 19 H ARG 19 12.302 12.645 9.441
127 HA ARG 19 HA ARG 19 15.059 13.523 8.885
128 HB2 ARG 19 2HB ARG 19 14.282 11.456 10.943
129 HB3 ARG 19 3HB ARG 19 15.867 12.176 10.691
130 HG2 ARG 19 2HG ARG 19 15.367 13.651 12.263
131 HG3 ARG 19 3HG ARG 19 14.152 14.324 11.174
132 HD2 ARG 19 2HD ARG 19 13.159 13.787 13.323
133 HD3 ARG 19 3HD ARG 19 12.499 12.745 12.063
134 HE ARG 19 HE ARG 19 14.711 11.524 13.366
135 HH11 ARG 19 1HH1 ARG 19 11.325 12.248 13.728
136 HH12 ARG 19 2HH1 ARG 19 11.021 10.918 14.795
137 HH21 ARG 19 1HH2 ARG 19 14.324 9.769 14.770
138 HH22 ARG 19 2HH2 ARG 19 12.728 9.509 15.388
139 H PHE 20 H PHE 20 16.499 11.391 8.765
140 HA PHE 20 HA PHE 20 15.923 10.139 6.371
141 HB2 PHE 20 2HB PHE 20 18.164 10.102 7.221
142 HB3 PHE 20 3HB PHE 20 17.663 9.230 8.666
143 HD1 PHE 20 HD1 PHE 20 18.325 8.963 5.070
144 HD2 PHE 20 HD2 PHE 20 17.318 6.861 8.631
145 HE1 PHE 20 HE1 PHE 20 18.823 6.831 3.948
146 HE2 PHE 20 HE2 PHE 20 17.815 4.725 7.515
147 HZ PHE 20 HZ PHE 20 18.569 4.708 5.171
148 H MET 21 H MET 21 15.135 8.104 5.792
149 HA MET 21 HA MET 21 13.817 6.521 7.869
150 HB2 MET 21 2HB MET 21 12.482 7.969 5.641
151 HB3 MET 21 3HB MET 21 11.900 6.352 6.014
152 HG2 MET 21 2HG MET 21 11.823 7.236 8.457
153 HG3 MET 21 3HG MET 21 11.835 8.819 7.685
154 HE1 MET 21 3HE MET 21 8.422 5.883 8.057
155 HE2 MET 21 1HE MET 21 10.134 5.506 8.252
156 HE3 MET 21 2HE MET 21 9.348 6.631 9.360
157 H ILE 22 H ILE 22 13.373 4.347 7.257
158 HA ILE 22 HA ILE 22 14.820 3.466 4.844
159 HB ILE 22 HB ILE 22 16.002 2.915 6.981
160 HG12 ILE 22 2HG1 ILE 22 15.063 0.389 5.643
161 HG13 ILE 22 3HG1 ILE 22 16.053 1.560 4.779
162 HG21 ILE 22 1HG2 ILE 22 14.942 1.994 8.701
163 HG22 ILE 22 2HG2 ILE 22 13.436 2.147 7.797
164 HG23 ILE 22 3HG2 ILE 22 14.377 0.659 7.696
165 HD11 ILE 22 3HD1 ILE 22 17.809 1.316 6.442
166 HD12 ILE 22 1HD1 ILE 22 16.814 0.165 7.334
167 HD13 ILE 22 2HD1 ILE 22 17.395 -0.237 5.718
168 H CYS 23 H CYS 23 14.039 1.559 3.814
169 HA CYS 23 HA CYS 23 11.170 1.124 4.272
170 HB2 CYS 23 2HB CYS 23 11.731 1.943 2.043
171 HB3 CYS 23 3HB CYS 23 12.858 0.612 1.815
172 HG CYS 23 HG CYS 23 9.458 0.534 1.800
173 H CYS 24 H CYS 24 10.522 -0.736 5.117
174 HA CYS 24 HA CYS 24 12.425 -2.960 5.253
175 HB2 CYS 24 2HB CYS 24 11.553 -2.285 7.396
176 HB3 CYS 24 3HB CYS 24 9.898 -2.375 6.804
177 H ASP 25 H ASP 25 12.208 -4.636 3.940
178 HA ASP 25 HA ASP 25 9.924 -4.887 2.220
179 HB2 ASP 25 2HB ASP 25 12.575 -6.184 2.480
180 HB3 ASP 25 3HB ASP 25 11.301 -7.161 1.756
181 H ARG 26 H ARG 26 10.985 -6.314 5.197
182 HA ARG 26 HA ARG 26 9.618 -8.722 5.214
183 HB2 ARG 26 2HB ARG 26 11.160 -7.450 7.004
184 HB3 ARG 26 3HB ARG 26 9.586 -7.136 7.723
185 HG2 ARG 26 2HG ARG 26 10.576 -9.880 6.990
186 HG3 ARG 26 3HG ARG 26 10.746 -9.160 8.592
187 HD2 ARG 26 2HD ARG 26 8.381 -9.050 8.875
188 HD3 ARG 26 3HD ARG 26 8.102 -9.491 7.191
189 HE ARG 26 HE ARG 26 9.552 -11.547 8.414
190 HH11 ARG 26 1HH1 ARG 26 6.397 -10.082 8.550
191 HH12 ARG 26 2HH1 ARG 26 5.602 -11.534 9.062
192 HH21 ARG 26 1HH2 ARG 26 8.517 -13.465 9.088
193 HH22 ARG 26 2HH2 ARG 26 6.809 -13.457 9.369
194 H CYS 27 H CYS 27 8.441 -5.729 6.763
195 HA CYS 27 HA CYS 27 5.711 -6.742 6.560
196 HB2 CYS 27 2HB CYS 27 5.150 -4.795 8.012
197 HB3 CYS 27 3HB CYS 27 6.337 -5.880 8.725
198 H GLU 28 H GLU 28 7.792 -4.832 4.786
199 HA GLU 28 HA GLU 28 7.512 -3.508 2.956
200 HB2 GLU 28 2HB GLU 28 4.562 -4.108 3.092
201 HB3 GLU 28 3HB GLU 28 5.515 -3.674 1.680
202 HG2 GLU 28 2HG GLU 28 6.677 -5.805 1.787
203 HG3 GLU 28 3HG GLU 28 5.765 -6.241 3.230
204 H GLU 29 H GLU 29 7.744 -2.148 5.233
205 HA GLU 29 HA GLU 29 5.927 0.117 4.828
206 HB2 GLU 29 2HB GLU 29 5.935 -1.572 7.122
207 HB3 GLU 29 3HB GLU 29 6.583 -0.010 7.600
208 HG2 GLU 29 2HG GLU 29 4.504 0.715 7.784
209 HG3 GLU 29 3HG GLU 29 4.360 0.582 6.032
210 H TRP 30 H TRP 30 6.871 1.884 6.620
211 HA TRP 30 HA TRP 30 9.735 2.109 5.956
212 HB2 TRP 30 2HB TRP 30 7.543 4.162 5.933
213 HB3 TRP 30 3HB TRP 30 9.218 4.653 6.176
214 HD1 TRP 30 HD1 TRP 30 6.845 3.313 3.512
215 HE1 TRP 30 HE1 TRP 30 7.987 3.498 1.212
216 HE3 TRP 30 HE3 TRP 30 11.536 4.652 5.041
217 HZ2 TRP 30 HZ2 TRP 30 10.539 4.128 0.183
218 HZ3 TRP 30 HZ3 TRP 30 13.270 5.027 3.336
219 HH2 TRP 30 HH2 TRP 30 12.780 4.769 0.958
220 H PHE 31 H PHE 31 11.087 3.162 7.490
221 HA PHE 31 HA PHE 31 9.973 3.617 10.150
222 HB2 PHE 31 2HB PHE 31 12.207 1.665 9.567
223 HB3 PHE 31 3HB PHE 31 11.797 2.245 11.178
224 HD1 PHE 31 HD2 PHE 31 10.699 0.177 8.357
225 HD2 PHE 31 HD1 PHE 31 9.857 1.447 12.331
226 HE1 PHE 31 HE2 PHE 31 9.033 -1.620 8.575
227 HE2 PHE 31 HE1 PHE 31 8.190 -0.349 12.556
228 HZ PHE 31 HZ PHE 31 7.775 -1.885 10.675
229 H HIS 32 H HIS 32 11.791 4.424 11.658
230 HA HIS 32 HA HIS 32 13.312 6.434 10.160
231 HB2 HIS 32 2HB HIS 32 12.276 6.298 12.976
232 HB3 HIS 32 3HB HIS 32 13.570 7.415 12.552
233 HD2 HIS 32 HD2 HIS 32 12.510 8.764 9.878
234 HE1 HIS 32 HE1 HIS 32 8.853 9.377 11.940
235 HE2 HIS 32 HE2 HIS 32 10.230 9.986 9.921
236 H GLY 33 H GLY 33 15.470 6.386 10.062
237 HA2 GLY 33 2HA GLY 33 16.993 4.197 10.777
238 HA3 GLY 33 3HA GLY 33 17.651 5.800 10.484
239 H ASP 34 H ASP 34 16.147 6.982 12.718
240 HA ASP 34 HA ASP 34 18.075 6.461 14.772
241 HB2 ASP 34 2HB ASP 34 16.471 8.606 14.107
242 HB3 ASP 34 3HB ASP 34 15.716 7.996 15.577
243 H CYS 35 H CYS 35 14.597 5.875 14.392
244 HA CYS 35 HA CYS 35 14.178 4.745 16.937
245 HB2 CYS 35 2HB CYS 35 12.684 4.373 14.336
246 HB3 CYS 35 3HB CYS 35 12.124 3.754 15.885
247 H VAL 36 H VAL 36 15.056 3.319 13.826
248 HA VAL 36 HA VAL 36 15.038 0.630 14.880
249 HB VAL 36 HB VAL 36 16.007 0.026 12.650
250 HG11 VAL 36 1HG1 VAL 36 13.598 1.704 12.140
251 HG12 VAL 36 2HG1 VAL 36 13.956 0.056 11.621
252 HG13 VAL 36 3HG1 VAL 36 13.486 0.373 13.291
253 HG21 VAL 36 3HG2 VAL 36 16.642 2.741 12.558
254 HG22 VAL 36 1HG2 VAL 36 16.834 1.558 11.264
255 HG23 VAL 36 2HG2 VAL 36 15.364 2.527 11.362
256 H GLY 37 H GLY 37 17.341 3.190 14.417
257 HA2 GLY 37 2HA GLY 37 19.356 3.193 15.743
258 HA3 GLY 37 3HA GLY 37 19.416 1.445 15.571
259 H ILE 38 H ILE 38 18.604 2.078 12.619
260 HA ILE 38 HA ILE 38 21.174 1.748 11.525
261 HB ILE 38 HB ILE 38 18.632 2.661 10.173
262 HG12 ILE 38 2HG1 ILE 38 18.490 0.440 11.244
263 HG13 ILE 38 3HG1 ILE 38 18.411 0.329 9.489
264 HG21 ILE 38 1HG2 ILE 38 21.361 2.152 9.165
265 HG22 ILE 38 2HG2 ILE 38 20.034 1.484 8.215
266 HG23 ILE 38 3HG2 ILE 38 20.099 3.215 8.542
267 HD11 ILE 38 3HD1 ILE 38 21.123 0.102 10.192
268 HD12 ILE 38 1HD1 ILE 38 20.216 -0.934 11.293
269 HD13 ILE 38 2HD1 ILE 38 20.053 -1.144 9.549
270 H SER 39 H SER 39 22.571 3.140 10.507
271 HA SER 39 HA SER 39 22.247 5.959 11.193
272 HB2 SER 39 2HB SER 39 24.687 4.742 9.913
273 HB3 SER 39 3HB SER 39 24.579 6.181 10.927
274 HG SER 39 HG SER 39 24.852 3.556 11.639
275 H GLU 40 H GLU 40 22.533 7.639 9.667
276 HA GLU 40 HA GLU 40 21.145 7.395 7.295
277 HB2 GLU 40 2HB GLU 40 21.614 9.549 8.357
278 HB3 GLU 40 3HB GLU 40 23.320 9.385 7.967
279 HG2 GLU 40 2HG GLU 40 21.922 9.084 5.550
280 HG3 GLU 40 3HG GLU 40 21.196 10.456 6.386
281 H ALA 41 H ALA 41 24.590 6.998 7.894
282 HA ALA 41 HA ALA 41 25.286 6.749 5.123
283 HB1 ALA 41 1HB ALA 41 27.114 5.590 7.113
284 HB2 ALA 41 2HB ALA 41 27.421 6.761 5.830
285 HB3 ALA 41 3HB ALA 41 26.714 7.291 7.356
286 H ARG 42 H ARG 42 24.424 4.553 7.715
287 HA ARG 42 HA ARG 42 25.243 2.168 6.395
288 HB2 ARG 42 2HB ARG 42 24.958 2.248 8.819
289 HB3 ARG 42 3HB ARG 42 23.245 2.590 8.623
290 HG2 ARG 42 2HG ARG 42 22.920 0.403 8.806
291 HG3 ARG 42 3HG ARG 42 23.606 0.263 7.186
292 HD2 ARG 42 2HD ARG 42 25.782 -0.168 8.067
293 HD3 ARG 42 3HD ARG 42 25.257 0.225 9.704
294 HE ARG 42 HE ARG 42 23.709 -1.904 8.717
295 HH11 ARG 42 1HH1 ARG 42 26.948 -1.195 9.777
296 HH12 ARG 42 2HH1 ARG 42 27.266 -2.812 10.312
297 HH21 ARG 42 1HH2 ARG 42 24.116 -4.036 9.417
298 HH22 ARG 42 2HH2 ARG 42 25.655 -4.427 10.106
299 H GLY 43 H GLY 43 22.056 3.695 6.865
300 HA2 GLY 43 2HA GLY 43 20.539 1.839 5.437
301 HA3 GLY 43 3HA GLY 43 20.111 3.529 5.659
302 H ARG 44 H ARG 44 22.556 4.452 4.289
303 HA ARG 44 HA ARG 44 21.496 4.576 1.660
304 HB2 ARG 44 2HB ARG 44 23.019 6.261 2.921
305 HB3 ARG 44 3HB ARG 44 24.341 5.263 2.330
306 HG2 ARG 44 2HG ARG 44 24.118 7.015 0.784
307 HG3 ARG 44 3HG ARG 44 23.386 5.606 0.013
308 HD2 ARG 44 2HD ARG 44 21.242 6.424 0.250
309 HD3 ARG 44 3HD ARG 44 21.678 7.460 1.609
310 HE ARG 44 HE ARG 44 22.274 9.110 0.127
311 HH11 ARG 44 1HH1 ARG 44 21.842 6.108 -1.581
312 HH12 ARG 44 2HH1 ARG 44 21.935 6.837 -3.150
313 HH21 ARG 44 1HH2 ARG 44 22.398 10.082 -1.933
314 HH22 ARG 44 2HH2 ARG 44 22.252 9.097 -3.349
315 H LEU 45 H LEU 45 24.239 2.844 3.090
316 HA LEU 45 HA LEU 45 25.374 1.766 0.818
317 HB2 LEU 45 2HB LEU 45 25.994 1.575 3.351
318 HB3 LEU 45 3HB LEU 45 25.068 0.078 3.262
319 HG LEU 45 HG LEU 45 26.765 -0.189 1.140
320 HD11 LEU 45 1HD1 LEU 45 27.902 1.924 1.957
321 HD12 LEU 45 2HD1 LEU 45 28.935 0.515 1.716
322 HD13 LEU 45 3HD1 LEU 45 28.441 0.978 3.344
323 HD21 LEU 45 3HD2 LEU 45 26.940 -1.087 3.999
324 HD22 LEU 45 1HD2 LEU 45 28.105 -1.616 2.785
325 HD23 LEU 45 2HD2 LEU 45 26.393 -1.991 2.586
326 H LEU 46 H LEU 46 22.775 0.358 2.804
327 HA LEU 46 HA LEU 46 22.373 -1.904 1.160
328 HB2 LEU 46 2HB LEU 46 20.677 -0.519 3.213
329 HB3 LEU 46 3HB LEU 46 20.095 -1.928 2.327
330 HG LEU 46 HG LEU 46 22.111 -3.165 3.226
331 HD11 LEU 46 1HD1 LEU 46 23.057 -2.214 5.326
332 HD12 LEU 46 2HD1 LEU 46 22.270 -0.687 4.930
333 HD13 LEU 46 3HD1 LEU 46 23.514 -1.340 3.864
334 HD21 LEU 46 3HD2 LEU 46 19.996 -2.122 5.102
335 HD22 LEU 46 1HD2 LEU 46 21.075 -3.467 5.472
336 HD23 LEU 46 2HD2 LEU 46 19.937 -3.593 4.130
337 H GLU 47 H GLU 47 21.281 1.378 0.967
338 HA GLU 47 HA GLU 47 19.091 0.885 -0.807
339 HB2 GLU 47 2HB GLU 47 20.422 3.234 0.368
340 HB3 GLU 47 3HB GLU 47 19.736 3.502 -1.228
341 HG2 GLU 47 2HG GLU 47 17.889 2.079 0.464
342 HG3 GLU 47 3HG GLU 47 18.411 3.587 1.214
343 H ARG 48 H ARG 48 22.488 1.716 -1.178
344 HA ARG 48 HA ARG 48 22.268 2.051 -4.038
345 HB2 ARG 48 2HB ARG 48 24.108 2.831 -2.075
346 HB3 ARG 48 3HB ARG 48 24.973 1.678 -3.083
347 HG2 ARG 48 2HG ARG 48 25.415 3.720 -4.085
348 HG3 ARG 48 3HG ARG 48 24.100 3.062 -5.061
349 HD2 ARG 48 2HD ARG 48 22.949 4.921 -4.673
350 HD3 ARG 48 3HD ARG 48 22.878 4.472 -2.970
351 HE ARG 48 HE ARG 48 24.417 6.101 -2.519
352 HH11 ARG 48 1HH1 ARG 48 24.453 5.424 -5.933
353 HH12 ARG 48 2HH1 ARG 48 25.522 6.733 -6.314
354 HH21 ARG 48 1HH2 ARG 48 25.825 7.828 -3.007
355 HH22 ARG 48 2HH2 ARG 48 26.303 8.099 -4.648
356 H ASN 49 H ASN 49 23.577 -0.361 -1.799
357 HA ASN 49 HA ASN 49 24.452 -2.103 -3.911
358 HB2 ASN 49 2HB ASN 49 24.299 -2.330 -0.916
359 HB3 ASN 49 3HB ASN 49 24.672 -3.738 -1.907
360 HD21 ASN 49 1HD2 ASN 49 26.258 -2.152 0.056
361 HD22 ASN 49 2HD2 ASN 49 27.709 -1.734 -0.784
362 H GLY 50 H GLY 50 21.533 -1.600 -2.142
363 HA2 GLY 50 2HA GLY 50 19.430 -2.473 -2.579
364 HA3 GLY 50 3HA GLY 50 20.156 -3.533 -3.778
365 H GLU 51 H GLU 51 20.725 -3.163 -0.284
366 HA GLU 51 HA GLU 51 20.444 -6.064 -0.011
367 HB2 GLU 51 2HB GLU 51 21.994 -3.985 1.352
368 HB3 GLU 51 3HB GLU 51 21.231 -5.124 2.453
369 HG2 GLU 51 2HG GLU 51 22.245 -6.949 0.985
370 HG3 GLU 51 3HG GLU 51 23.240 -5.666 0.299
371 H ASP 52 H ASP 52 18.466 -6.749 0.463
372 HA ASP 52 HA ASP 52 16.339 -5.256 1.395
373 HB2 ASP 52 2HB ASP 52 16.964 -8.183 1.422
374 HB3 ASP 52 3HB ASP 52 15.538 -7.602 2.279
375 H TYR 53 H TYR 53 16.145 -4.155 3.221
376 HA TYR 53 HA TYR 53 17.542 -5.085 5.620
377 HB2 TYR 53 2HB TYR 53 18.040 -2.821 5.205
378 HB3 TYR 53 3HB TYR 53 16.371 -2.435 4.803
379 HD1 TYR 53 HD1 TYR 53 14.723 -2.057 6.554
380 HD2 TYR 53 HD2 TYR 53 18.768 -2.962 7.516
381 HE1 TYR 53 HE1 TYR 53 14.334 -1.313 8.866
382 HE2 TYR 53 HE2 TYR 53 18.390 -2.221 9.830
383 HH TYR 53 HH TYR 53 16.916 -1.460 11.302
384 H ILE 54 H ILE 54 16.496 -5.381 7.592
385 HA ILE 54 HA ILE 54 13.555 -5.457 7.498
386 HB ILE 54 HB ILE 54 15.341 -7.555 8.737
387 HG12 ILE 54 2HG1 ILE 54 13.465 -7.684 6.366
388 HG13 ILE 54 3HG1 ILE 54 15.223 -7.718 6.292
389 HG21 ILE 54 1HG2 ILE 54 12.690 -6.781 9.374
390 HG22 ILE 54 2HG2 ILE 54 12.620 -8.351 8.575
391 HG23 ILE 54 3HG2 ILE 54 13.621 -8.136 10.011
392 HD11 ILE 54 3HD1 ILE 54 13.404 -9.806 7.458
393 HD12 ILE 54 1HD1 ILE 54 14.421 -9.939 6.023
394 HD13 ILE 54 2HD1 ILE 54 15.160 -9.823 7.621
395 H CYS 55 H CYS 55 12.857 -3.986 8.898
396 HA CYS 55 HA CYS 55 14.230 -2.717 10.890
397 HB2 CYS 55 2HB CYS 55 12.024 -2.192 11.903
398 HB3 CYS 55 3HB CYS 55 12.053 -1.945 10.161
399 HA PRO 56 HA PRO 56 14.816 -5.466 14.257
400 HB2 PRO 56 2HB PRO 56 14.537 -3.796 16.379
401 HB3 PRO 56 3HB PRO 56 15.942 -3.761 15.307
402 HG2 PRO 56 2HG PRO 56 13.524 -1.996 15.320
403 HG3 PRO 56 3HG PRO 56 15.229 -1.556 15.115
404 HD2 PRO 56 2HD PRO 56 13.520 -1.778 13.026
405 HD3 PRO 56 3HD PRO 56 15.248 -2.162 12.891
406 H ASN 57 H ASN 57 11.833 -3.990 13.690
407 HA ASN 57 HA ASN 57 10.469 -5.051 16.004
408 HB2 ASN 57 2HB ASN 57 9.926 -3.052 14.116
409 HB3 ASN 57 3HB ASN 57 8.713 -4.296 13.828
410 HD21 ASN 57 1HD2 ASN 57 8.113 -1.745 14.766
411 HD22 ASN 57 2HD2 ASN 57 7.500 -1.879 16.375
412 H CYS 58 H CYS 58 10.744 -5.826 12.566
413 HA CYS 58 HA CYS 58 8.923 -8.037 12.711
414 HB2 CYS 58 2HB CYS 58 10.847 -7.067 10.603
415 HB3 CYS 58 3HB CYS 58 9.915 -8.547 10.406
416 H THR 59 H THR 59 12.439 -7.659 12.642
417 HA THR 59 HA THR 59 13.203 -10.313 12.436
418 HB THR 59 HB THR 59 14.735 -8.309 12.424
419 HG1 THR 59 HG1 THR 59 16.440 -9.531 13.494
420 HG21 THR 59 3HG2 THR 59 15.503 -7.339 14.409
421 HG22 THR 59 1HG2 THR 59 14.858 -8.643 15.405
422 HG23 THR 59 2HG2 THR 59 13.763 -7.478 14.661
423 H ILE 60 H ILE 60 11.897 -8.584 15.164
424 HA ILE 60 HA ILE 60 12.308 -10.948 16.868
425 HB ILE 60 HB ILE 60 11.972 -9.532 18.789
426 HG12 ILE 60 2HG1 ILE 60 11.989 -6.913 17.834
427 HG13 ILE 60 3HG1 ILE 60 10.828 -7.742 16.802
428 HG21 ILE 60 1HG2 ILE 60 14.164 -9.495 17.219
429 HG22 ILE 60 2HG2 ILE 60 13.793 -7.773 17.287
430 HG23 ILE 60 3HG2 ILE 60 14.058 -8.678 18.778
431 HD11 ILE 60 3HD1 ILE 60 9.304 -7.727 18.403
432 HD12 ILE 60 1HD1 ILE 60 10.423 -8.447 19.560
433 HD13 ILE 60 2HD1 ILE 60 10.388 -6.697 19.338
434 H LEU 61 H LEU 61 10.185 -10.451 14.795
435 HA LEU 61 HA LEU 61 7.845 -10.757 16.561
436 HB2 LEU 61 2HB LEU 61 8.286 -9.016 14.332
437 HB3 LEU 61 3HB LEU 61 6.983 -10.138 13.948
438 HG LEU 61 HG LEU 61 6.208 -7.978 14.890
439 HD11 LEU 61 1HD1 LEU 61 4.635 -9.655 15.122
440 HD12 LEU 61 2HD1 LEU 61 4.845 -9.107 16.784
441 HD13 LEU 61 3HD1 LEU 61 5.636 -10.585 16.237
442 HD21 LEU 61 3HD2 LEU 61 7.063 -7.103 16.746
443 HD22 LEU 61 1HD2 LEU 61 8.286 -8.373 16.703
444 HD23 LEU 61 2HD2 LEU 61 6.811 -8.601 17.643
Start of MODEL 4
1 H1 GLY 1 H GLY 1 1.886 -0.025 -4.424
2 HA2 GLY 1 2HA GLY 1 1.485 0.482 -1.899
3 HA3 GLY 1 3HA GLY 1 2.930 -0.502 -1.722
4 H SER 2 H SER 2 1.724 2.606 -2.229
5 HA SER 2 HA SER 2 4.418 3.578 -2.929
6 HB2 SER 2 2HB SER 2 2.099 5.336 -3.497
7 HB3 SER 2 3HB SER 2 3.575 5.078 -4.427
8 HG SER 2 HG SER 2 1.238 4.112 -4.973
9 H MET 3 H MET 3 5.365 4.740 -1.399
10 HA MET 3 HA MET 3 4.185 5.341 1.061
11 HB2 MET 3 2HB MET 3 6.641 5.144 0.609
12 HB3 MET 3 3HB MET 3 6.578 6.725 -0.159
13 HG2 MET 3 2HG MET 3 5.376 6.920 2.410
14 HG3 MET 3 3HG MET 3 6.930 6.105 2.572
15 HE1 MET 3 3HE MET 3 9.060 6.907 2.069
16 HE2 MET 3 1HE MET 3 9.545 8.600 1.984
17 HE3 MET 3 2HE MET 3 8.851 7.957 3.472
18 H ASP 4 H ASP 4 2.857 6.906 1.692
19 HA ASP 4 HA ASP 4 2.190 9.041 -0.160
20 HB2 ASP 4 2HB ASP 4 0.918 7.762 2.164
21 HB3 ASP 4 3HB ASP 4 0.661 9.501 2.060
22 HA PRO 5 HA PRO 5 4.411 12.299 1.758
23 HB2 PRO 5 2HB PRO 5 2.649 14.361 1.635
24 HB3 PRO 5 3HB PRO 5 3.477 13.719 0.211
25 HG2 PRO 5 2HG PRO 5 0.702 13.176 1.195
26 HG3 PRO 5 3HG PRO 5 1.264 13.473 -0.461
27 HD2 PRO 5 2HD PRO 5 0.746 10.986 0.477
28 HD3 PRO 5 3HD PRO 5 2.005 11.307 -0.732
29 H ASN 6 H ASN 6 1.023 12.266 2.885
30 HA ASN 6 HA ASN 6 1.993 12.952 5.577
31 HB2 ASN 6 2HB ASN 6 -0.855 13.171 4.601
32 HB3 ASN 6 3HB ASN 6 -0.145 13.902 6.037
33 HD21 ASN 6 1HD2 ASN 6 -0.525 14.100 2.608
34 HD22 ASN 6 2HD2 ASN 6 0.146 15.680 2.414
35 H ALA 7 H ALA 7 2.395 10.374 4.971
36 HA ALA 7 HA ALA 7 0.143 8.909 6.176
37 HB1 ALA 7 1HB ALA 7 0.447 7.669 4.326
38 HB2 ALA 7 2HB ALA 7 2.099 8.238 4.087
39 HB3 ALA 7 3HB ALA 7 1.769 6.954 5.250
40 H LEU 8 H LEU 8 1.030 6.828 7.343
41 HA LEU 8 HA LEU 8 3.349 7.538 8.998
42 HB2 LEU 8 2HB LEU 8 0.701 6.530 10.027
43 HB3 LEU 8 3HB LEU 8 2.154 6.755 10.998
44 HG LEU 8 HG LEU 8 0.597 8.946 9.625
45 HD11 LEU 8 1HD1 LEU 8 -0.604 9.195 11.483
46 HD12 LEU 8 2HD1 LEU 8 0.812 9.018 12.520
47 HD13 LEU 8 3HD1 LEU 8 -0.040 7.587 11.939
48 HD21 LEU 8 3HD2 LEU 8 2.272 10.005 11.580
49 HD22 LEU 8 1HD2 LEU 8 2.463 10.135 9.831
50 HD23 LEU 8 2HD2 LEU 8 3.269 8.837 10.711
51 H TYR 9 H TYR 9 4.597 5.835 9.688
52 HA TYR 9 HA TYR 9 3.703 3.112 9.146
53 HB2 TYR 9 2HB TYR 9 6.402 3.955 8.133
54 HB3 TYR 9 3HB TYR 9 5.455 2.535 7.703
55 HD1 TYR 9 HD2 TYR 9 3.615 2.705 6.103
56 HD2 TYR 9 HD1 TYR 9 5.999 6.092 7.077
57 HE1 TYR 9 HE2 TYR 9 2.739 3.882 4.129
58 HE2 TYR 9 HE1 TYR 9 5.129 7.279 5.107
59 HH TYR 9 HH TYR 9 3.681 7.228 3.417
60 H CYS 10 H CYS 10 6.595 4.978 10.087
61 HA CYS 10 HA CYS 10 7.862 3.131 11.657
62 HB2 CYS 10 2HB CYS 10 8.641 5.473 11.088
63 HB3 CYS 10 3HB CYS 10 7.635 6.046 12.414
64 H ILE 11 H ILE 11 7.973 2.839 13.978
65 HA ILE 11 HA ILE 11 5.539 2.198 15.147
66 HB ILE 11 HB ILE 11 6.790 2.086 17.305
67 HG12 ILE 11 2HG1 ILE 11 9.059 3.121 15.592
68 HG13 ILE 11 3HG1 ILE 11 8.327 3.943 16.966
69 HG21 ILE 11 1HG2 ILE 11 7.551 0.067 16.715
70 HG22 ILE 11 2HG2 ILE 11 6.943 0.465 15.109
71 HG23 ILE 11 3HG2 ILE 11 8.642 0.731 15.499
72 HD11 ILE 11 3HD1 ILE 11 10.467 2.947 17.547
73 HD12 ILE 11 1HD1 ILE 11 9.149 2.207 18.455
74 HD13 ILE 11 2HD1 ILE 11 9.861 1.358 17.082
75 H CYS 12 H CYS 12 7.432 5.157 15.359
76 HA CYS 12 HA CYS 12 5.819 6.342 17.402
77 HB2 CYS 12 2HB CYS 12 7.059 8.409 16.864
78 HB3 CYS 12 3HB CYS 12 8.134 7.038 17.104
79 H ARG 13 H ARG 13 5.393 5.832 14.091
80 HA ARG 13 HA ARG 13 3.832 6.509 12.582
81 HB2 ARG 13 2HB ARG 13 2.419 7.493 15.068
82 HB3 ARG 13 3HB ARG 13 1.683 7.358 13.476
83 HG2 ARG 13 2HG ARG 13 2.776 5.082 15.118
84 HG3 ARG 13 3HG ARG 13 1.072 5.481 14.892
85 HD2 ARG 13 2HD ARG 13 1.451 5.181 12.418
86 HD3 ARG 13 3HD ARG 13 3.038 4.526 12.821
87 HE ARG 13 HE ARG 13 1.009 3.183 14.268
88 HH11 ARG 13 1HH1 ARG 13 2.400 3.446 11.088
89 HH12 ARG 13 2HH1 ARG 13 1.966 1.835 10.622
90 HH21 ARG 13 1HH2 ARG 13 0.431 1.060 13.667
91 HH22 ARG 13 2HH2 ARG 13 0.845 0.479 12.090
92 H GLN 14 H GLN 14 5.641 8.054 12.030
93 HA GLN 14 HA GLN 14 4.603 10.799 12.170
94 HB2 GLN 14 2HB GLN 14 7.254 9.791 13.006
95 HB3 GLN 14 3HB GLN 14 7.265 11.268 12.050
96 HG2 GLN 14 2HG GLN 14 5.439 12.033 13.752
97 HG3 GLN 14 3HG GLN 14 6.144 10.773 14.764
98 HE21 GLN 14 1HE2 GLN 14 6.179 13.938 14.318
99 HE22 GLN 14 2HE2 GLN 14 7.810 14.316 14.743
100 HA PRO 15 HA PRO 15 5.223 11.016 7.834
101 HB2 PRO 15 2HB PRO 15 6.038 13.583 7.493
102 HB3 PRO 15 3HB PRO 15 4.378 13.151 7.918
103 HG2 PRO 15 2HG PRO 15 6.600 14.101 9.685
104 HG3 PRO 15 3HG PRO 15 4.891 14.575 9.683
105 HD2 PRO 15 2HD PRO 15 5.909 12.802 11.459
106 HD3 PRO 15 3HD PRO 15 4.241 12.704 10.861
107 H HIS 16 H HIS 16 6.773 10.979 6.187
108 HA HIS 16 HA HIS 16 9.453 10.410 7.063
109 HB2 HIS 16 2HB HIS 16 9.837 9.580 4.907
110 HB3 HIS 16 3HB HIS 16 8.129 9.244 5.177
111 HD1 HIS 16 HD1 HIS 16 6.491 11.223 4.137
112 HD2 HIS 16 HD2 HIS 16 10.318 10.837 2.564
113 HE1 HIS 16 HE1 HIS 16 6.421 12.381 1.906
114 H ASN 17 H ASN 17 7.875 13.228 6.416
115 HA ASN 17 HA ASN 17 10.072 14.573 5.072
116 HB2 ASN 17 2HB ASN 17 8.532 16.605 5.414
117 HB3 ASN 17 3HB ASN 17 7.978 15.339 4.323
118 HD21 ASN 17 1HD2 ASN 17 7.844 16.195 7.763
119 HD22 ASN 17 2HD2 ASN 17 6.190 15.748 7.984
120 H ASN 18 H ASN 18 10.865 13.515 7.498
121 HA ASN 18 HA ASN 18 11.364 15.965 9.045
122 HB2 ASN 18 2HB ASN 18 10.385 13.312 10.026
123 HB3 ASN 18 3HB ASN 18 11.440 14.268 11.061
124 HD21 ASN 18 1HD2 ASN 18 9.221 13.918 12.220
125 HD22 ASN 18 2HD2 ASN 18 8.126 15.246 12.076
126 H ARG 19 H ARG 19 12.407 12.614 9.541
127 HA ARG 19 HA ARG 19 15.172 13.476 8.998
128 HB2 ARG 19 2HB ARG 19 14.383 11.389 11.031
129 HB3 ARG 19 3HB ARG 19 15.968 12.113 10.794
130 HG2 ARG 19 2HG ARG 19 15.469 13.590 12.362
131 HG3 ARG 19 3HG ARG 19 14.221 14.243 11.299
132 HD2 ARG 19 2HD ARG 19 13.207 13.701 13.398
133 HD3 ARG 19 3HD ARG 19 12.652 12.533 12.200
134 HE ARG 19 HE ARG 19 14.909 11.495 13.503
135 HH11 ARG 19 1HH1 ARG 19 11.577 12.278 14.139
136 HH12 ARG 19 2HH1 ARG 19 11.392 11.071 15.368
137 HH21 ARG 19 1HH2 ARG 19 14.678 9.902 15.119
138 HH22 ARG 19 2HH2 ARG 19 13.156 9.721 15.926
139 H PHE 20 H PHE 20 16.602 11.354 8.833
140 HA PHE 20 HA PHE 20 16.006 10.123 6.436
141 HB2 PHE 20 2HB PHE 20 18.252 10.066 7.254
142 HB3 PHE 20 3HB PHE 20 17.765 9.206 8.711
143 HD1 PHE 20 HD2 PHE 20 18.331 8.907 5.094
144 HD2 PHE 20 HD1 PHE 20 17.463 6.842 8.713
145 HE1 PHE 20 HE2 PHE 20 18.806 6.764 3.981
146 HE2 PHE 20 HE1 PHE 20 17.938 4.696 7.607
147 HZ PHE 20 HZ PHE 20 18.609 4.655 5.238
148 H MET 21 H MET 21 15.210 8.096 5.842
149 HA MET 21 HA MET 21 13.887 6.508 7.916
150 HB2 MET 21 2HB MET 21 12.571 7.943 5.666
151 HB3 MET 21 3HB MET 21 11.983 6.332 6.053
152 HG2 MET 21 2HG MET 21 11.877 7.227 8.481
153 HG3 MET 21 3HG MET 21 11.930 8.811 7.711
154 HE1 MET 21 3HE MET 21 10.173 5.548 8.283
155 HE2 MET 21 1HE MET 21 9.348 6.685 9.349
156 HE3 MET 21 2HE MET 21 8.470 5.925 8.021
157 H ILE 22 H ILE 22 13.429 4.333 7.292
158 HA ILE 22 HA ILE 22 14.919 3.446 4.908
159 HB ILE 22 HB ILE 22 16.043 2.877 7.073
160 HG12 ILE 22 2HG1 ILE 22 15.121 0.356 5.717
161 HG13 ILE 22 3HG1 ILE 22 16.120 1.526 4.861
162 HG21 ILE 22 1HG2 ILE 22 13.451 2.133 7.824
163 HG22 ILE 22 2HG2 ILE 22 14.373 0.634 7.733
164 HG23 ILE 22 3HG2 ILE 22 14.934 1.952 8.761
165 HD11 ILE 22 3HD1 ILE 22 16.844 0.114 7.418
166 HD12 ILE 22 1HD1 ILE 22 17.466 -0.252 5.809
167 HD13 ILE 22 2HD1 ILE 22 17.846 1.293 6.571
168 H CYS 23 H CYS 23 14.144 1.550 3.853
169 HA CYS 23 HA CYS 23 11.260 1.143 4.240
170 HB2 CYS 23 2HB CYS 23 11.859 1.959 2.028
171 HB3 CYS 23 3HB CYS 23 13.011 0.644 1.825
172 HG CYS 23 HG CYS 23 10.009 -0.559 2.491
173 H CYS 24 H CYS 24 10.570 -0.715 5.056
174 HA CYS 24 HA CYS 24 12.445 -2.961 5.222
175 HB2 CYS 24 2HB CYS 24 11.555 -2.280 7.356
176 HB3 CYS 24 3HB CYS 24 9.908 -2.344 6.743
177 H ASP 25 H ASP 25 12.233 -4.599 3.863
178 HA ASP 25 HA ASP 25 9.929 -4.829 2.160
179 HB2 ASP 25 2HB ASP 25 12.598 -6.117 2.352
180 HB3 ASP 25 3HB ASP 25 11.319 -7.056 1.586
181 H ARG 26 H ARG 26 10.995 -6.238 5.121
182 HA ARG 26 HA ARG 26 9.706 -8.700 5.095
183 HB2 ARG 26 2HB ARG 26 11.157 -7.270 6.934
184 HB3 ARG 26 3HB ARG 26 9.557 -7.290 7.663
185 HG2 ARG 26 2HG ARG 26 10.862 -9.797 6.666
186 HG3 ARG 26 3HG ARG 26 11.171 -9.161 8.283
187 HD2 ARG 26 2HD ARG 26 8.697 -9.177 8.665
188 HD3 ARG 26 3HD ARG 26 8.525 -10.018 7.125
189 HE ARG 26 HE ARG 26 9.463 -11.123 9.615
190 HH11 ARG 26 1HH1 ARG 26 9.408 -11.456 6.150
191 HH12 ARG 26 2HH1 ARG 26 9.717 -13.160 6.178
192 HH21 ARG 26 1HH2 ARG 26 9.870 -13.367 9.665
193 HH22 ARG 26 2HH2 ARG 26 9.979 -14.247 8.178
194 H CYS 27 H CYS 27 8.466 -5.597 6.339
195 HA CYS 27 HA CYS 27 5.751 -6.717 6.202
196 HB2 CYS 27 2HB CYS 27 5.144 -4.810 7.716
197 HB3 CYS 27 3HB CYS 27 6.273 -5.961 8.418
198 H GLU 28 H GLU 28 7.845 -4.723 4.553
199 HA GLU 28 HA GLU 28 7.589 -3.323 2.776
200 HB2 GLU 28 2HB GLU 28 4.637 -3.925 2.846
201 HB3 GLU 28 3HB GLU 28 5.610 -3.434 1.467
202 HG2 GLU 28 2HG GLU 28 6.874 -5.642 1.848
203 HG3 GLU 28 3HG GLU 28 5.478 -6.095 2.823
204 H GLU 29 H GLU 29 7.814 -2.042 5.082
205 HA GLU 29 HA GLU 29 5.980 0.223 4.771
206 HB2 GLU 29 2HB GLU 29 6.085 -1.541 7.036
207 HB3 GLU 29 3HB GLU 29 6.606 0.067 7.521
208 HG2 GLU 29 2HG GLU 29 4.519 0.956 6.448
209 HG3 GLU 29 3HG GLU 29 3.991 -0.716 6.266
210 H TRP 30 H TRP 30 6.900 1.975 6.538
211 HA TRP 30 HA TRP 30 9.769 2.221 5.908
212 HB2 TRP 30 2HB TRP 30 7.560 4.252 5.908
213 HB3 TRP 30 3HB TRP 30 9.223 4.759 6.191
214 HD1 TRP 30 HD1 TRP 30 6.878 3.591 3.453
215 HE1 TRP 30 HE1 TRP 30 8.068 3.792 1.179
216 HE3 TRP 30 HE3 TRP 30 11.607 4.623 5.099
217 HZ2 TRP 30 HZ2 TRP 30 10.667 4.318 0.212
218 HZ3 TRP 30 HZ3 TRP 30 13.387 4.961 3.435
219 HH2 TRP 30 HH2 TRP 30 12.925 4.811 1.043
220 H PHE 31 H PHE 31 11.121 3.203 7.471
221 HA PHE 31 HA PHE 31 9.998 3.626 10.134
222 HB2 PHE 31 2HB PHE 31 12.215 1.664 9.521
223 HB3 PHE 31 3HB PHE 31 11.812 2.222 11.141
224 HD1 PHE 31 HD2 PHE 31 10.708 0.197 8.296
225 HD2 PHE 31 HD1 PHE 31 9.847 1.439 12.274
226 HE1 PHE 31 HE2 PHE 31 9.024 -1.587 8.484
227 HE2 PHE 31 HE1 PHE 31 8.162 -0.343 12.470
228 HZ PHE 31 HZ PHE 31 7.748 -1.858 10.573
229 H HIS 32 H HIS 32 11.815 4.391 11.664
230 HA HIS 32 HA HIS 32 13.368 6.408 10.206
231 HB2 HIS 32 2HB HIS 32 12.297 6.254 13.009
232 HB3 HIS 32 3HB HIS 32 13.603 7.366 12.608
233 HD2 HIS 32 HD2 HIS 32 12.566 8.722 9.916
234 HE1 HIS 32 HE1 HIS 32 8.918 9.384 11.978
235 HE2 HIS 32 HE2 HIS 32 10.302 9.971 9.957
236 H GLY 33 H GLY 33 15.523 6.323 10.120
237 HA2 GLY 33 2HA GLY 33 17.011 4.114 10.849
238 HA3 GLY 33 3HA GLY 33 17.693 5.708 10.562
239 H ASP 34 H ASP 34 16.202 6.923 12.776
240 HA ASP 34 HA ASP 34 18.098 6.367 14.850
241 HB2 ASP 34 2HB ASP 34 15.917 8.322 14.396
242 HB3 ASP 34 3HB ASP 34 16.310 7.968 16.076
243 H CYS 35 H CYS 35 14.633 5.798 14.397
244 HA CYS 35 HA CYS 35 14.160 4.698 16.956
245 HB2 CYS 35 2HB CYS 35 12.685 4.381 14.338
246 HB3 CYS 35 3HB CYS 35 12.103 3.732 15.866
247 H VAL 36 H VAL 36 15.034 3.256 13.850
248 HA VAL 36 HA VAL 36 14.953 0.568 14.899
249 HB VAL 36 HB VAL 36 15.935 -0.053 12.681
250 HG11 VAL 36 1HG1 VAL 36 13.626 1.635 11.972
251 HG12 VAL 36 2HG1 VAL 36 13.878 -0.098 11.755
252 HG13 VAL 36 3HG1 VAL 36 13.384 0.531 13.326
253 HG21 VAL 36 3HG2 VAL 36 16.834 1.464 11.325
254 HG22 VAL 36 1HG2 VAL 36 15.373 2.450 11.376
255 HG23 VAL 36 2HG2 VAL 36 16.620 2.657 12.605
256 H GLY 37 H GLY 37 17.316 3.080 14.463
257 HA2 GLY 37 2HA GLY 37 19.310 3.032 15.826
258 HA3 GLY 37 3HA GLY 37 19.343 1.286 15.631
259 H ILE 38 H ILE 38 18.577 1.981 12.678
260 HA ILE 38 HA ILE 38 21.162 1.628 11.617
261 HB ILE 38 HB ILE 38 18.645 2.570 10.237
262 HG12 ILE 38 2HG1 ILE 38 18.486 0.338 11.298
263 HG13 ILE 38 3HG1 ILE 38 18.403 0.248 9.542
264 HG21 ILE 38 1HG2 ILE 38 21.384 2.081 9.269
265 HG22 ILE 38 2HG2 ILE 38 20.089 1.376 8.303
266 HG23 ILE 38 3HG2 ILE 38 20.112 3.111 8.612
267 HD11 ILE 38 3HD1 ILE 38 20.046 -1.223 9.566
268 HD12 ILE 38 1HD1 ILE 38 21.117 -0.009 10.264
269 HD13 ILE 38 2HD1 ILE 38 20.182 -1.071 11.317
270 H SER 39 H SER 39 22.583 3.018 10.630
271 HA SER 39 HA SER 39 22.253 5.838 11.315
272 HB2 SER 39 2HB SER 39 24.745 4.720 10.080
273 HB3 SER 39 3HB SER 39 24.568 6.034 11.242
274 HG SER 39 HG SER 39 25.223 4.454 12.524
275 H GLU 40 H GLU 40 22.563 7.514 9.801
276 HA GLU 40 HA GLU 40 21.271 7.256 7.377
277 HB2 GLU 40 2HB GLU 40 21.668 9.415 8.448
278 HB3 GLU 40 3HB GLU 40 23.393 9.268 8.144
279 HG2 GLU 40 2HG GLU 40 22.271 8.960 5.645
280 HG3 GLU 40 3HG GLU 40 21.267 10.194 6.404
281 H ALA 41 H ALA 41 24.665 6.801 8.133
282 HA ALA 41 HA ALA 41 25.514 6.625 5.400
283 HB1 ALA 41 1HB ALA 41 27.347 5.318 7.146
284 HB2 ALA 41 2HB ALA 41 27.511 6.874 6.331
285 HB3 ALA 41 3HB ALA 41 26.766 6.789 7.927
286 H ARG 42 H ARG 42 24.434 4.373 7.853
287 HA ARG 42 HA ARG 42 25.264 2.018 6.458
288 HB2 ARG 42 2HB ARG 42 23.370 2.486 8.758
289 HB3 ARG 42 3HB ARG 42 23.683 0.887 8.097
290 HG2 ARG 42 2HG ARG 42 26.146 2.272 8.675
291 HG3 ARG 42 3HG ARG 42 25.105 2.183 10.097
292 HD2 ARG 42 2HD ARG 42 25.311 -0.057 10.267
293 HD3 ARG 42 3HD ARG 42 25.309 -0.293 8.520
294 HE ARG 42 HE ARG 42 27.722 0.873 9.063
295 HH11 ARG 42 1HH1 ARG 42 26.051 -1.983 10.147
296 HH12 ARG 42 2HH1 ARG 42 27.504 -2.883 10.433
297 HH21 ARG 42 1HH2 ARG 42 29.642 -0.301 9.436
298 HH22 ARG 42 2HH2 ARG 42 29.546 -1.925 10.030
299 H GLY 43 H GLY 43 22.106 3.593 6.967
300 HA2 GLY 43 2HA GLY 43 20.598 1.815 5.403
301 HA3 GLY 43 3HA GLY 43 20.148 3.472 5.778
302 H ARG 44 H ARG 44 22.563 4.568 4.505
303 HA ARG 44 HA ARG 44 21.505 4.845 1.872
304 HB2 ARG 44 2HB ARG 44 22.775 6.606 3.187
305 HB3 ARG 44 3HB ARG 44 24.240 5.710 2.806
306 HG2 ARG 44 2HG ARG 44 24.173 7.369 1.188
307 HG3 ARG 44 3HG ARG 44 23.515 5.958 0.357
308 HD2 ARG 44 2HD ARG 44 21.357 7.272 1.623
309 HD3 ARG 44 3HD ARG 44 22.311 8.508 0.804
310 HE ARG 44 HE ARG 44 22.046 6.545 -1.058
311 HH11 ARG 44 1HH1 ARG 44 19.811 8.361 0.898
312 HH12 ARG 44 2HH1 ARG 44 18.531 8.289 -0.267
313 HH21 ARG 44 1HH2 ARG 44 20.368 6.444 -2.600
314 HH22 ARG 44 2HH2 ARG 44 18.848 7.198 -2.256
315 H LEU 45 H LEU 45 23.910 2.821 3.333
316 HA LEU 45 HA LEU 45 25.226 2.098 0.892
317 HB2 LEU 45 2HB LEU 45 25.723 1.783 3.613
318 HB3 LEU 45 3HB LEU 45 25.466 0.146 3.012
319 HG LEU 45 HG LEU 45 27.832 0.727 3.028
320 HD11 LEU 45 1HD1 LEU 45 28.034 -0.601 1.267
321 HD12 LEU 45 2HD1 LEU 45 27.663 0.741 0.186
322 HD13 LEU 45 3HD1 LEU 45 26.360 -0.260 0.827
323 HD21 LEU 45 3HD2 LEU 45 27.447 2.717 0.850
324 HD22 LEU 45 1HD2 LEU 45 28.748 2.569 2.033
325 HD23 LEU 45 2HD2 LEU 45 27.186 3.231 2.518
326 H LEU 46 H LEU 46 22.842 0.536 3.011
327 HA LEU 46 HA LEU 46 22.576 -1.865 1.631
328 HB2 LEU 46 2HB LEU 46 20.410 -0.345 3.076
329 HB3 LEU 46 3HB LEU 46 20.397 -2.065 2.691
330 HG LEU 46 HG LEU 46 22.261 -0.684 4.621
331 HD11 LEU 46 1HD1 LEU 46 19.698 -1.234 5.095
332 HD12 LEU 46 2HD1 LEU 46 20.951 -1.403 6.324
333 HD13 LEU 46 3HD1 LEU 46 20.385 -2.821 5.441
334 HD21 LEU 46 3HD2 LEU 46 22.835 -3.090 5.196
335 HD22 LEU 46 1HD2 LEU 46 23.487 -2.460 3.684
336 HD23 LEU 46 2HD2 LEU 46 22.083 -3.527 3.661
337 H GLU 47 H GLU 47 21.385 1.306 0.875
338 HA GLU 47 HA GLU 47 19.381 0.491 -0.982
339 HB2 GLU 47 2HB GLU 47 20.361 2.947 0.101
340 HB3 GLU 47 3HB GLU 47 20.345 3.079 -1.652
341 HG2 GLU 47 2HG GLU 47 17.912 1.870 -0.864
342 HG3 GLU 47 3HG GLU 47 18.178 3.272 0.170
343 H ARG 48 H ARG 48 22.783 1.379 -1.239
344 HA ARG 48 HA ARG 48 22.790 1.212 -4.116
345 HB2 ARG 48 2HB ARG 48 24.418 2.423 -2.242
346 HB3 ARG 48 3HB ARG 48 25.394 1.070 -2.799
347 HG2 ARG 48 2HG ARG 48 25.980 2.850 -4.192
348 HG3 ARG 48 3HG ARG 48 24.871 1.874 -5.157
349 HD2 ARG 48 2HD ARG 48 23.752 3.772 -5.515
350 HD3 ARG 48 3HD ARG 48 23.191 3.616 -3.851
351 HE ARG 48 HE ARG 48 24.489 5.409 -3.296
352 HH11 ARG 48 1HH1 ARG 48 25.608 4.111 -6.326
353 HH12 ARG 48 2HH1 ARG 48 26.742 5.390 -6.605
354 HH21 ARG 48 1HH2 ARG 48 25.979 7.099 -3.651
355 HH22 ARG 48 2HH2 ARG 48 26.953 7.089 -5.082
356 H ASN 49 H ASN 49 23.466 -0.891 -1.427
357 HA ASN 49 HA ASN 49 24.773 -2.886 -3.071
358 HB2 ASN 49 2HB ASN 49 24.292 -2.466 -0.191
359 HB3 ASN 49 3HB ASN 49 24.268 -4.149 -0.709
360 HD21 ASN 49 1HD2 ASN 49 26.179 -2.784 0.986
361 HD22 ASN 49 2HD2 ASN 49 27.718 -2.952 0.219
362 H GLY 50 H GLY 50 21.589 -2.125 -1.988
363 HA2 GLY 50 2HA GLY 50 19.570 -3.052 -2.614
364 HA3 GLY 50 3HA GLY 50 20.456 -4.191 -3.617
365 H GLU 51 H GLU 51 20.934 -3.742 -0.160
366 HA GLU 51 HA GLU 51 20.308 -6.560 0.245
367 HB2 GLU 51 2HB GLU 51 21.796 -4.477 1.775
368 HB3 GLU 51 3HB GLU 51 21.097 -5.820 2.669
369 HG2 GLU 51 2HG GLU 51 22.806 -6.317 0.268
370 HG3 GLU 51 3HG GLU 51 23.530 -5.987 1.841
371 H ASP 52 H ASP 52 18.235 -7.017 0.590
372 HA ASP 52 HA ASP 52 16.237 -5.280 1.404
373 HB2 ASP 52 2HB ASP 52 15.054 -7.456 2.148
374 HB3 ASP 52 3HB ASP 52 15.496 -7.285 0.451
375 H TYR 53 H TYR 53 16.436 -4.063 3.190
376 HA TYR 53 HA TYR 53 17.544 -5.117 5.634
377 HB2 TYR 53 2HB TYR 53 18.069 -2.853 5.249
378 HB3 TYR 53 3HB TYR 53 16.409 -2.449 4.825
379 HD1 TYR 53 HD1 TYR 53 14.737 -2.075 6.554
380 HD2 TYR 53 HD2 TYR 53 18.759 -3.024 7.569
381 HE1 TYR 53 HE1 TYR 53 14.318 -1.350 8.867
382 HE2 TYR 53 HE2 TYR 53 18.350 -2.303 9.885
383 HH TYR 53 HH TYR 53 16.568 -1.942 11.414
384 H ILE 54 H ILE 54 16.464 -5.428 7.584
385 HA ILE 54 HA ILE 54 13.524 -5.471 7.443
386 HB ILE 54 HB ILE 54 15.284 -7.611 8.646
387 HG12 ILE 54 2HG1 ILE 54 13.364 -7.664 6.307
388 HG13 ILE 54 3HG1 ILE 54 15.119 -7.746 6.207
389 HG21 ILE 54 1HG2 ILE 54 12.279 -7.359 8.619
390 HG22 ILE 54 2HG2 ILE 54 13.183 -8.765 9.178
391 HG23 ILE 54 3HG2 ILE 54 13.327 -7.229 10.031
392 HD11 ILE 54 3HD1 ILE 54 13.314 -9.795 7.472
393 HD12 ILE 54 1HD1 ILE 54 14.135 -9.936 5.917
394 HD13 ILE 54 2HD1 ILE 54 15.075 -9.877 7.409
395 H CYS 55 H CYS 55 12.822 -4.011 8.852
396 HA CYS 55 HA CYS 55 14.182 -2.790 10.886
397 HB2 CYS 55 2HB CYS 55 11.970 -2.238 11.864
398 HB3 CYS 55 3HB CYS 55 12.028 -1.977 10.125
399 HA PRO 56 HA PRO 56 14.664 -5.597 14.222
400 HB2 PRO 56 2HB PRO 56 14.377 -3.953 16.363
401 HB3 PRO 56 3HB PRO 56 15.800 -3.927 15.315
402 HG2 PRO 56 2HG PRO 56 13.413 -2.121 15.312
403 HG3 PRO 56 3HG PRO 56 15.129 -1.707 15.142
404 HD2 PRO 56 2HD PRO 56 13.453 -1.870 13.022
405 HD3 PRO 56 3HD PRO 56 15.176 -2.282 12.911
406 H ASN 57 H ASN 57 11.716 -4.065 13.623
407 HA ASN 57 HA ASN 57 10.295 -5.134 15.898
408 HB2 ASN 57 2HB ASN 57 9.818 -3.101 14.025
409 HB3 ASN 57 3HB ASN 57 8.586 -4.319 13.709
410 HD21 ASN 57 1HD2 ASN 57 8.031 -1.763 14.669
411 HD22 ASN 57 2HD2 ASN 57 7.391 -1.903 16.268
412 H CYS 58 H CYS 58 10.604 -5.859 12.451
413 HA CYS 58 HA CYS 58 8.752 -8.047 12.543
414 HB2 CYS 58 2HB CYS 58 10.706 -7.069 10.466
415 HB3 CYS 58 3HB CYS 58 9.751 -8.529 10.237
416 H THR 59 H THR 59 12.277 -7.720 12.473
417 HA THR 59 HA THR 59 13.033 -10.355 12.219
418 HB THR 59 HB THR 59 14.575 -8.367 12.337
419 HG1 THR 59 HG1 THR 59 15.231 -10.585 14.008
420 HG21 THR 59 3HG2 THR 59 14.566 -8.806 15.309
421 HG22 THR 59 1HG2 THR 59 13.538 -7.590 14.553
422 HG23 THR 59 2HG2 THR 59 15.292 -7.488 14.391
423 H ILE 60 H ILE 60 11.668 -8.734 14.989
424 HA ILE 60 HA ILE 60 11.857 -11.253 16.509
425 HB ILE 60 HB ILE 60 11.754 -9.943 18.570
426 HG12 ILE 60 2HG1 ILE 60 12.398 -7.352 17.856
427 HG13 ILE 60 3HG1 ILE 60 11.163 -7.790 16.680
428 HG21 ILE 60 1HG2 ILE 60 13.921 -10.220 16.886
429 HG22 ILE 60 2HG2 ILE 60 13.973 -8.520 17.349
430 HG23 ILE 60 3HG2 ILE 60 13.978 -9.772 18.591
431 HD11 ILE 60 3HD1 ILE 60 9.528 -7.948 18.253
432 HD12 ILE 60 1HD1 ILE 60 10.650 -8.389 19.540
433 HD13 ILE 60 2HD1 ILE 60 10.547 -6.714 18.995
434 H LEU 61 H LEU 61 9.784 -10.205 14.596
435 HA LEU 61 HA LEU 61 7.505 -11.149 15.919
436 HB2 LEU 61 2HB LEU 61 8.076 -8.614 16.751
437 HB3 LEU 61 3HB LEU 61 6.963 -8.313 15.419
438 HG LEU 61 HG LEU 61 5.429 -10.013 16.623
439 HD11 LEU 61 1HD1 LEU 61 7.104 -10.814 18.211
440 HD12 LEU 61 2HD1 LEU 61 5.721 -10.099 19.038
441 HD13 LEU 61 3HD1 LEU 61 7.229 -9.196 18.900
442 HD21 LEU 61 3HD2 LEU 61 5.652 -7.559 18.253
443 HD22 LEU 61 1HD2 LEU 61 4.260 -8.248 17.418
444 HD23 LEU 61 2HD2 LEU 61 5.468 -7.336 16.513
Start of MODEL 5
1 H1 GLY 1 H GLY 1 2.666 -1.672 -4.320
2 HA2 GLY 1 2HA GLY 1 3.342 0.215 -5.505
3 HA3 GLY 1 3HA GLY 1 2.170 0.947 -4.419
4 H SER 2 H SER 2 2.858 2.552 -3.168
5 HA SER 2 HA SER 2 5.628 2.628 -2.271
6 HB2 SER 2 2HB SER 2 4.913 5.267 -3.192
7 HB3 SER 2 3HB SER 2 6.312 4.283 -3.620
8 HG SER 2 HG SER 2 4.484 4.928 -5.246
9 H MET 3 H MET 3 5.849 4.919 -1.025
10 HA MET 3 HA MET 3 3.644 4.887 0.909
11 HB2 MET 3 2HB MET 3 5.176 5.761 2.516
12 HB3 MET 3 3HB MET 3 5.996 4.449 1.680
13 HG2 MET 3 2HG MET 3 7.670 5.822 1.254
14 HG3 MET 3 3HG MET 3 6.591 6.774 0.238
15 HE1 MET 3 3HE MET 3 7.885 7.136 4.449
16 HE2 MET 3 1HE MET 3 8.561 6.231 3.094
17 HE3 MET 3 2HE MET 3 9.047 7.904 3.366
18 H ASP 4 H ASP 4 3.224 7.045 1.999
19 HA ASP 4 HA ASP 4 3.330 9.233 0.030
20 HB2 ASP 4 2HB ASP 4 1.010 7.999 1.340
21 HB3 ASP 4 3HB ASP 4 1.044 9.756 1.454
22 HA PRO 5 HA PRO 5 4.852 11.859 3.194
23 HB2 PRO 5 2HB PRO 5 3.594 14.206 2.667
24 HB3 PRO 5 3HB PRO 5 4.880 13.555 1.644
25 HG2 PRO 5 2HG PRO 5 1.913 13.433 1.264
26 HG3 PRO 5 3HG PRO 5 3.181 13.770 0.071
27 HD2 PRO 5 2HD PRO 5 2.001 11.344 0.296
28 HD3 PRO 5 3HD PRO 5 3.694 11.539 -0.201
29 H ASN 6 H ASN 6 1.328 11.991 2.789
30 HA ASN 6 HA ASN 6 1.000 12.779 5.579
31 HB2 ASN 6 2HB ASN 6 -1.419 12.940 4.980
32 HB3 ASN 6 3HB ASN 6 -0.382 13.969 3.997
33 HD21 ASN 6 1HD2 ASN 6 -1.411 14.089 2.117
34 HD22 ASN 6 2HD2 ASN 6 -1.901 12.738 1.158
35 H ALA 7 H ALA 7 2.106 10.270 5.321
36 HA ALA 7 HA ALA 7 -0.080 8.578 6.322
37 HB1 ALA 7 1HB ALA 7 1.991 7.860 4.274
38 HB2 ALA 7 2HB ALA 7 1.191 6.629 5.252
39 HB3 ALA 7 3HB ALA 7 0.239 7.670 4.193
40 H LEU 8 H LEU 8 0.692 6.768 7.674
41 HA LEU 8 HA LEU 8 3.204 7.445 9.058
42 HB2 LEU 8 2HB LEU 8 0.647 6.376 10.244
43 HB3 LEU 8 3HB LEU 8 2.155 6.608 11.126
44 HG LEU 8 HG LEU 8 0.413 8.760 9.927
45 HD11 LEU 8 1HD1 LEU 8 0.395 7.437 12.441
46 HD12 LEU 8 2HD1 LEU 8 -0.604 8.783 11.894
47 HD13 LEU 8 3HD1 LEU 8 0.938 9.097 12.689
48 HD21 LEU 8 3HD2 LEU 8 2.360 9.866 9.736
49 HD22 LEU 8 1HD2 LEU 8 3.216 8.759 10.810
50 HD23 LEU 8 2HD2 LEU 8 2.217 10.046 11.485
51 H TYR 9 H TYR 9 4.487 5.749 9.791
52 HA TYR 9 HA TYR 9 3.657 3.016 9.209
53 HB2 TYR 9 2HB TYR 9 6.297 4.005 8.149
54 HB3 TYR 9 3HB TYR 9 5.467 2.498 7.779
55 HD1 TYR 9 HD1 TYR 9 5.512 6.130 7.169
56 HD2 TYR 9 HD2 TYR 9 3.766 2.403 6.093
57 HE1 TYR 9 HE1 TYR 9 4.504 7.182 5.188
58 HE2 TYR 9 HE2 TYR 9 2.754 3.443 4.107
59 HH TYR 9 HH TYR 9 2.149 5.556 3.243
60 H CYS 10 H CYS 10 6.540 4.915 10.117
61 HA CYS 10 HA CYS 10 7.843 3.071 11.662
62 HB2 CYS 10 2HB CYS 10 8.614 5.407 11.081
63 HB3 CYS 10 3HB CYS 10 7.617 5.988 12.409
64 H ILE 11 H ILE 11 7.990 2.760 13.972
65 HA ILE 11 HA ILE 11 5.571 2.131 15.184
66 HB ILE 11 HB ILE 11 6.845 1.938 17.299
67 HG12 ILE 11 2HG1 ILE 11 9.098 3.090 15.639
68 HG13 ILE 11 3HG1 ILE 11 8.341 3.843 17.039
69 HG21 ILE 11 1HG2 ILE 11 7.639 -0.040 16.625
70 HG22 ILE 11 2HG2 ILE 11 7.051 0.419 15.028
71 HG23 ILE 11 3HG2 ILE 11 8.738 0.697 15.459
72 HD11 ILE 11 3HD1 ILE 11 10.502 2.870 17.590
73 HD12 ILE 11 1HD1 ILE 11 9.196 2.073 18.466
74 HD13 ILE 11 2HD1 ILE 11 9.928 1.287 17.067
75 H CYS 12 H CYS 12 7.481 5.077 15.344
76 HA CYS 12 HA CYS 12 5.948 6.262 17.449
77 HB2 CYS 12 2HB CYS 12 7.186 8.314 16.905
78 HB3 CYS 12 3HB CYS 12 8.267 6.933 17.044
79 H ARG 13 H ARG 13 5.440 5.798 14.130
80 HA ARG 13 HA ARG 13 3.812 6.469 12.691
81 HB2 ARG 13 2HB ARG 13 2.634 6.879 15.363
82 HB3 ARG 13 3HB ARG 13 1.876 7.796 14.069
83 HG2 ARG 13 2HG ARG 13 0.661 5.805 14.192
84 HG3 ARG 13 3HG ARG 13 1.732 5.594 12.805
85 HD2 ARG 13 2HD ARG 13 3.100 4.097 13.926
86 HD3 ARG 13 3HD ARG 13 2.588 4.666 15.515
87 HE ARG 13 HE ARG 13 1.296 2.673 13.879
88 HH11 ARG 13 1HH1 ARG 13 0.937 4.935 16.500
89 HH12 ARG 13 2HH1 ARG 13 -0.408 4.103 17.207
90 HH21 ARG 13 1HH2 ARG 13 -0.474 1.568 14.800
91 HH22 ARG 13 2HH2 ARG 13 -1.210 2.188 16.239
92 H GLN 14 H GLN 14 5.608 7.988 12.054
93 HA GLN 14 HA GLN 14 4.603 10.742 12.203
94 HB2 GLN 14 2HB GLN 14 7.258 9.729 13.015
95 HB3 GLN 14 3HB GLN 14 7.267 11.191 12.038
96 HG2 GLN 14 2HG GLN 14 5.290 11.402 14.104
97 HG3 GLN 14 3HG GLN 14 6.854 10.971 14.794
98 HE21 GLN 14 1HE2 GLN 14 4.924 13.462 13.672
99 HE22 GLN 14 2HE2 GLN 14 6.121 14.705 13.592
100 HA PRO 15 HA PRO 15 5.150 10.899 7.855
101 HB2 PRO 15 2HB PRO 15 5.938 13.468 7.470
102 HB3 PRO 15 3HB PRO 15 4.287 13.027 7.924
103 HG2 PRO 15 2HG PRO 15 6.526 14.019 9.647
104 HG3 PRO 15 3HG PRO 15 4.813 14.478 9.664
105 HD2 PRO 15 2HD PRO 15 5.872 12.736 11.446
106 HD3 PRO 15 3HD PRO 15 4.196 12.616 10.873
107 H HIS 16 H HIS 16 6.677 10.865 6.183
108 HA HIS 16 HA HIS 16 9.373 10.322 7.026
109 HB2 HIS 16 2HB HIS 16 9.732 9.473 4.876
110 HB3 HIS 16 3HB HIS 16 8.027 9.136 5.165
111 HD1 HIS 16 HD1 HIS 16 6.939 11.987 4.482
112 HD2 HIS 16 HD2 HIS 16 9.621 9.825 2.160
113 HE1 HIS 16 HE1 HIS 16 6.701 12.903 2.152
114 H ASN 17 H ASN 17 7.767 13.124 6.388
115 HA ASN 17 HA ASN 17 9.939 14.474 5.004
116 HB2 ASN 17 2HB ASN 17 8.385 16.497 5.345
117 HB3 ASN 17 3HB ASN 17 7.831 15.218 4.269
118 HD21 ASN 17 1HD2 ASN 17 7.722 16.102 7.703
119 HD22 ASN 17 2HD2 ASN 17 6.074 15.643 7.943
120 H ASN 18 H ASN 18 10.758 13.442 7.435
121 HA ASN 18 HA ASN 18 11.255 15.909 8.954
122 HB2 ASN 18 2HB ASN 18 10.343 13.243 9.981
123 HB3 ASN 18 3HB ASN 18 11.351 14.270 10.996
124 HD21 ASN 18 1HD2 ASN 18 9.288 14.021 12.280
125 HD22 ASN 18 2HD2 ASN 18 8.083 15.237 12.045
126 H ARG 19 H ARG 19 12.327 12.569 9.462
127 HA ARG 19 HA ARG 19 15.081 13.448 8.892
128 HB2 ARG 19 2HB ARG 19 15.909 12.145 10.699
129 HB3 ARG 19 3HB ARG 19 14.559 13.076 11.336
130 HG2 ARG 19 2HG ARG 19 13.166 10.961 10.809
131 HG3 ARG 19 3HG ARG 19 14.732 10.150 10.765
132 HD2 ARG 19 2HD ARG 19 14.082 9.885 12.974
133 HD3 ARG 19 3HD ARG 19 15.127 11.303 13.044
134 HE ARG 19 HE ARG 19 12.448 12.099 12.654
135 HH11 ARG 19 1HH1 ARG 19 14.570 10.788 15.083
136 HH12 ARG 19 2HH1 ARG 19 13.682 11.463 16.409
137 HH21 ARG 19 1HH2 ARG 19 11.271 12.993 14.391
138 HH22 ARG 19 2HH2 ARG 19 11.806 12.716 16.014
139 H PHE 20 H PHE 20 16.519 11.319 8.747
140 HA PHE 20 HA PHE 20 15.926 10.080 6.352
141 HB2 PHE 20 2HB PHE 20 18.172 10.031 7.181
142 HB3 PHE 20 3HB PHE 20 17.682 9.163 8.631
143 HD1 PHE 20 HD2 PHE 20 18.299 8.887 5.026
144 HD2 PHE 20 HD1 PHE 20 17.345 6.796 8.608
145 HE1 PHE 20 HE2 PHE 20 18.782 6.751 3.904
146 HE2 PHE 20 HE1 PHE 20 17.828 4.657 7.492
147 HZ PHE 20 HZ PHE 20 18.546 4.632 5.137
148 H MET 21 H MET 21 15.132 8.049 5.766
149 HA MET 21 HA MET 21 13.820 6.460 7.843
150 HB2 MET 21 2HB MET 21 12.483 7.911 5.619
151 HB3 MET 21 3HB MET 21 11.899 6.295 5.993
152 HG2 MET 21 2HG MET 21 11.829 7.179 8.436
153 HG3 MET 21 3HG MET 21 11.841 8.763 7.664
154 HE1 MET 21 3HE MET 21 8.430 5.824 8.035
155 HE2 MET 21 1HE MET 21 10.143 5.454 8.237
156 HE3 MET 21 2HE MET 21 9.347 6.575 9.342
157 H ILE 22 H ILE 22 13.377 4.287 7.230
158 HA ILE 22 HA ILE 22 14.817 3.410 4.811
159 HB ILE 22 HB ILE 22 16.006 2.855 6.943
160 HG12 ILE 22 2HG1 ILE 22 15.058 0.332 5.603
161 HG13 ILE 22 3HG1 ILE 22 16.051 1.503 4.741
162 HG21 ILE 22 1HG2 ILE 22 14.948 1.938 8.666
163 HG22 ILE 22 2HG2 ILE 22 13.440 2.085 7.764
164 HG23 ILE 22 3HG2 ILE 22 14.385 0.600 7.665
165 HD11 ILE 22 3HD1 ILE 22 17.383 -0.307 5.678
166 HD12 ILE 22 1HD1 ILE 22 17.811 1.246 6.393
167 HD13 ILE 22 2HD1 ILE 22 16.812 0.105 7.294
168 H CYS 23 H CYS 23 14.034 1.503 3.781
169 HA CYS 23 HA CYS 23 11.165 1.070 4.243
170 HB2 CYS 23 2HB CYS 23 11.739 1.890 2.011
171 HB3 CYS 23 3HB CYS 23 12.846 0.541 1.784
172 HG CYS 23 HG CYS 23 9.462 0.206 2.170
173 H CYS 24 H CYS 24 10.519 -0.787 5.095
174 HA CYS 24 HA CYS 24 12.417 -3.014 5.224
175 HB2 CYS 24 2HB CYS 24 11.561 -2.334 7.371
176 HB3 CYS 24 3HB CYS 24 9.903 -2.420 6.791
177 H ASP 25 H ASP 25 12.196 -4.663 3.879
178 HA ASP 25 HA ASP 25 9.874 -4.923 2.209
179 HB2 ASP 25 2HB ASP 25 12.544 -6.211 2.393
180 HB3 ASP 25 3HB ASP 25 11.258 -7.151 1.642
181 H ARG 26 H ARG 26 11.009 -6.341 5.153
182 HA ARG 26 HA ARG 26 9.711 -8.788 5.173
183 HB2 ARG 26 2HB ARG 26 11.230 -7.451 6.956
184 HB3 ARG 26 3HB ARG 26 9.650 -7.244 7.700
185 HG2 ARG 26 2HG ARG 26 10.981 -9.853 7.006
186 HG3 ARG 26 3HG ARG 26 10.738 -9.183 8.620
187 HD2 ARG 26 2HD ARG 26 8.203 -9.162 7.682
188 HD3 ARG 26 3HD ARG 26 8.850 -10.565 6.833
189 HE ARG 26 HE ARG 26 9.627 -10.969 9.395
190 HH11 ARG 26 1HH1 ARG 26 6.562 -10.280 7.895
191 HH12 ARG 26 2HH1 ARG 26 5.640 -11.139 9.083
192 HH21 ARG 26 1HH2 ARG 26 8.424 -12.103 10.966
193 HH22 ARG 26 2HH2 ARG 26 6.699 -12.175 10.830
194 H CYS 27 H CYS 27 8.475 -5.729 6.537
195 HA CYS 27 HA CYS 27 5.764 -6.845 6.402
196 HB2 CYS 27 2HB CYS 27 5.170 -4.922 7.899
197 HB3 CYS 27 3HB CYS 27 6.327 -6.050 8.597
198 H GLU 28 H GLU 28 7.815 -4.858 4.688
199 HA GLU 28 HA GLU 28 7.517 -3.490 2.894
200 HB2 GLU 28 2HB GLU 28 5.708 -5.260 2.415
201 HB3 GLU 28 3HB GLU 28 4.565 -4.062 3.005
202 HG2 GLU 28 2HG GLU 28 4.709 -2.816 1.149
203 HG3 GLU 28 3HG GLU 28 6.445 -3.077 0.982
204 H GLU 29 H GLU 29 7.776 -2.172 5.175
205 HA GLU 29 HA GLU 29 5.924 0.079 4.861
206 HB2 GLU 29 2HB GLU 29 6.068 -1.652 7.148
207 HB3 GLU 29 3HB GLU 29 6.594 -0.038 7.604
208 HG2 GLU 29 2HG GLU 29 4.477 0.560 7.775
209 HG3 GLU 29 3HG GLU 29 4.298 0.313 6.038
210 H TRP 30 H TRP 30 6.869 1.846 6.616
211 HA TRP 30 HA TRP 30 9.729 2.094 5.945
212 HB2 TRP 30 2HB TRP 30 7.519 4.126 5.914
213 HB3 TRP 30 3HB TRP 30 9.188 4.635 6.157
214 HD1 TRP 30 HD1 TRP 30 6.821 3.302 3.493
215 HE1 TRP 30 HE1 TRP 30 7.968 3.474 1.195
216 HE3 TRP 30 HE3 TRP 30 11.523 4.596 5.028
217 HZ2 TRP 30 HZ2 TRP 30 10.527 4.078 0.169
218 HZ3 TRP 30 HZ3 TRP 30 13.262 4.953 3.325
219 HH2 TRP 30 HH2 TRP 30 12.773 4.698 0.946
220 H PHE 31 H PHE 31 11.096 3.069 7.482
221 HA PHE 31 HA PHE 31 9.980 3.569 10.138
222 HB2 PHE 31 2HB PHE 31 12.212 1.611 9.565
223 HB3 PHE 31 3HB PHE 31 11.791 2.192 11.173
224 HD1 PHE 31 HD2 PHE 31 10.706 0.129 8.342
225 HD2 PHE 31 HD1 PHE 31 9.849 1.388 12.316
226 HE1 PHE 31 HE2 PHE 31 9.038 -1.668 8.548
227 HE2 PHE 31 HE1 PHE 31 8.181 -0.407 12.529
228 HZ PHE 31 HZ PHE 31 7.772 -1.937 10.643
229 H HIS 32 H HIS 32 11.801 4.375 11.641
230 HA HIS 32 HA HIS 32 13.329 6.374 10.135
231 HB2 HIS 32 2HB HIS 32 12.300 6.250 12.955
232 HB3 HIS 32 3HB HIS 32 13.594 7.363 12.522
233 HD2 HIS 32 HD2 HIS 32 12.530 8.714 9.855
234 HE1 HIS 32 HE1 HIS 32 8.872 9.321 11.916
235 HE2 HIS 32 HE2 HIS 32 10.250 9.933 9.899
236 H GLY 33 H GLY 33 15.486 6.320 10.034
237 HA2 GLY 33 2HA GLY 33 17.004 4.128 10.747
238 HA3 GLY 33 3HA GLY 33 17.666 5.730 10.458
239 H ASP 34 H ASP 34 16.149 6.898 12.699
240 HA ASP 34 HA ASP 34 18.082 6.383 14.749
241 HB2 ASP 34 2HB ASP 34 16.433 8.510 14.096
242 HB3 ASP 34 3HB ASP 34 15.729 7.893 15.588
243 H CYS 35 H CYS 35 14.595 5.811 14.403
244 HA CYS 35 HA CYS 35 14.196 4.651 16.932
245 HB2 CYS 35 2HB CYS 35 12.688 4.264 14.340
246 HB3 CYS 35 3HB CYS 35 12.135 3.676 15.903
247 H VAL 36 H VAL 36 15.066 3.247 13.808
248 HA VAL 36 HA VAL 36 15.062 0.553 14.849
249 HB VAL 36 HB VAL 36 16.018 -0.037 12.609
250 HG11 VAL 36 1HG1 VAL 36 13.963 0.043 11.553
251 HG12 VAL 36 2HG1 VAL 36 13.513 0.238 13.248
252 HG13 VAL 36 3HG1 VAL 36 13.583 1.644 12.185
253 HG21 VAL 36 3HG2 VAL 36 16.814 1.503 11.210
254 HG22 VAL 36 1HG2 VAL 36 15.355 2.482 11.356
255 HG23 VAL 36 2HG2 VAL 36 16.662 2.668 12.525
256 H GLY 37 H GLY 37 17.346 3.128 14.407
257 HA2 GLY 37 2HA GLY 37 19.374 3.138 15.700
258 HA3 GLY 37 3HA GLY 37 19.435 1.389 15.540
259 H ILE 38 H ILE 38 18.607 1.992 12.589
260 HA ILE 38 HA ILE 38 21.165 1.654 11.479
261 HB ILE 38 HB ILE 38 18.621 2.580 10.139
262 HG12 ILE 38 2HG1 ILE 38 18.459 0.367 11.215
263 HG13 ILE 38 3HG1 ILE 38 18.388 0.242 9.460
264 HG21 ILE 38 1HG2 ILE 38 21.341 2.089 9.125
265 HG22 ILE 38 2HG2 ILE 38 20.034 1.358 8.194
266 HG23 ILE 38 3HG2 ILE 38 20.049 3.099 8.475
267 HD11 ILE 38 3HD1 ILE 38 20.114 -1.087 11.244
268 HD12 ILE 38 1HD1 ILE 38 20.072 -1.183 9.484
269 HD13 ILE 38 2HD1 ILE 38 21.100 0.010 10.279
270 H SER 39 H SER 39 22.566 3.035 10.452
271 HA SER 39 HA SER 39 22.239 5.864 11.107
272 HB2 SER 39 2HB SER 39 24.710 4.658 9.888
273 HB3 SER 39 3HB SER 39 24.568 6.077 10.926
274 HG SER 39 HG SER 39 25.390 4.312 12.088
275 H GLU 40 H GLU 40 22.645 7.517 9.546
276 HA GLU 40 HA GLU 40 21.270 7.274 7.167
277 HB2 GLU 40 2HB GLU 40 21.716 9.448 8.053
278 HB3 GLU 40 3HB GLU 40 23.453 9.195 7.966
279 HG2 GLU 40 2HG GLU 40 23.511 9.472 5.668
280 HG3 GLU 40 3HG GLU 40 21.790 9.137 5.485
281 H ALA 41 H ALA 41 24.675 6.708 7.822
282 HA ALA 41 HA ALA 41 25.407 6.394 5.068
283 HB1 ALA 41 1HB ALA 41 27.268 6.975 6.225
284 HB2 ALA 41 2HB ALA 41 26.764 6.122 7.684
285 HB3 ALA 41 3HB ALA 41 27.444 5.223 6.328
286 H ARG 42 H ARG 42 24.723 4.188 7.759
287 HA ARG 42 HA ARG 42 25.311 1.794 6.418
288 HB2 ARG 42 2HB ARG 42 23.353 2.314 8.662
289 HB3 ARG 42 3HB ARG 42 23.889 0.721 8.146
290 HG2 ARG 42 2HG ARG 42 26.116 2.482 8.722
291 HG3 ARG 42 3HG ARG 42 25.035 2.291 10.104
292 HD2 ARG 42 2HD ARG 42 25.237 -0.111 9.982
293 HD3 ARG 42 3HD ARG 42 26.196 0.012 8.508
294 HE ARG 42 HE ARG 42 27.551 1.468 10.415
295 HH11 ARG 42 1HH1 ARG 42 26.495 -1.825 10.014
296 HH12 ARG 42 2HH1 ARG 42 27.798 -2.493 10.941
297 HH21 ARG 42 1HH2 ARG 42 29.271 0.601 11.637
298 HH22 ARG 42 2HH2 ARG 42 29.375 -1.112 11.864
299 H GLY 43 H GLY 43 22.189 3.446 6.901
300 HA2 GLY 43 2HA GLY 43 20.608 1.629 5.474
301 HA3 GLY 43 3HA GLY 43 20.218 3.323 5.733
302 H ARG 44 H ARG 44 22.658 4.230 4.352
303 HA ARG 44 HA ARG 44 21.569 4.397 1.731
304 HB2 ARG 44 2HB ARG 44 22.969 6.160 2.855
305 HB3 ARG 44 3HB ARG 44 24.368 5.127 2.597
306 HG2 ARG 44 2HG ARG 44 24.613 5.900 0.540
307 HG3 ARG 44 3HG ARG 44 22.956 5.451 0.132
308 HD2 ARG 44 2HD ARG 44 22.279 7.595 1.363
309 HD3 ARG 44 3HD ARG 44 23.981 8.041 1.250
310 HE ARG 44 HE ARG 44 22.048 8.096 -0.852
311 HH11 ARG 44 1HH1 ARG 44 25.429 7.654 -0.148
312 HH12 ARG 44 2HH1 ARG 44 25.956 8.161 -1.718
313 HH21 ARG 44 1HH2 ARG 44 22.730 8.764 -2.923
314 HH22 ARG 44 2HH2 ARG 44 24.420 8.793 -3.296
315 H LEU 45 H LEU 45 24.309 2.642 3.131
316 HA LEU 45 HA LEU 45 25.447 1.605 0.839
317 HB2 LEU 45 2HB LEU 45 25.417 0.948 3.670
318 HB3 LEU 45 3HB LEU 45 25.604 -0.478 2.651
319 HG LEU 45 HG LEU 45 27.748 0.498 3.441
320 HD11 LEU 45 1HD1 LEU 45 27.589 -0.860 1.388
321 HD12 LEU 45 2HD1 LEU 45 28.877 0.343 1.314
322 HD13 LEU 45 3HD1 LEU 45 27.362 0.619 0.454
323 HD21 LEU 45 3HD2 LEU 45 26.968 2.870 3.325
324 HD22 LEU 45 1HD2 LEU 45 27.109 2.772 1.570
325 HD23 LEU 45 2HD2 LEU 45 28.541 2.580 2.581
326 H LEU 46 H LEU 46 22.823 0.200 2.788
327 HA LEU 46 HA LEU 46 22.430 -2.061 1.142
328 HB2 LEU 46 2HB LEU 46 20.707 -0.657 3.159
329 HB3 LEU 46 3HB LEU 46 20.132 -2.064 2.268
330 HG LEU 46 HG LEU 46 22.124 -3.311 3.208
331 HD11 LEU 46 1HD1 LEU 46 23.032 -2.358 5.326
332 HD12 LEU 46 2HD1 LEU 46 22.265 -0.827 4.905
333 HD13 LEU 46 3HD1 LEU 46 23.527 -1.495 3.869
334 HD21 LEU 46 3HD2 LEU 46 20.003 -2.248 5.069
335 HD22 LEU 46 1HD2 LEU 46 21.041 -3.631 5.415
336 HD23 LEU 46 2HD2 LEU 46 19.908 -3.695 4.064
337 H GLU 47 H GLU 47 21.371 1.230 0.921
338 HA GLU 47 HA GLU 47 19.218 0.738 -0.907
339 HB2 GLU 47 2HB GLU 47 20.056 2.896 0.629
340 HB3 GLU 47 3HB GLU 47 20.357 3.415 -1.024
341 HG2 GLU 47 2HG GLU 47 17.765 2.162 -0.749
342 HG3 GLU 47 3HG GLU 47 17.956 3.532 0.344
343 H ARG 48 H ARG 48 22.622 1.567 -1.172
344 HA ARG 48 HA ARG 48 22.484 1.953 -4.031
345 HB2 ARG 48 2HB ARG 48 24.837 1.791 -2.141
346 HB3 ARG 48 3HB ARG 48 24.962 2.160 -3.856
347 HG2 ARG 48 2HG ARG 48 23.329 3.801 -1.939
348 HG3 ARG 48 3HG ARG 48 25.024 4.131 -2.303
349 HD2 ARG 48 2HD ARG 48 23.512 3.769 -4.727
350 HD3 ARG 48 3HD ARG 48 22.773 5.009 -3.715
351 HE ARG 48 HE ARG 48 25.494 5.538 -3.780
352 HH11 ARG 48 1HH1 ARG 48 22.838 5.383 -6.026
353 HH12 ARG 48 2HH1 ARG 48 23.509 6.563 -7.102
354 HH21 ARG 48 1HH2 ARG 48 26.387 7.093 -5.189
355 HH22 ARG 48 2HH2 ARG 48 25.528 7.534 -6.626
356 H ASN 49 H ASN 49 23.668 -0.519 -1.795
357 HA ASN 49 HA ASN 49 24.590 -2.228 -3.924
358 HB2 ASN 49 2HB ASN 49 24.397 -2.509 -0.935
359 HB3 ASN 49 3HB ASN 49 24.798 -3.890 -1.951
360 HD21 ASN 49 1HD2 ASN 49 26.218 -1.954 0.032
361 HD22 ASN 49 2HD2 ASN 49 27.725 -1.652 -0.758
362 H GLY 50 H GLY 50 21.656 -1.732 -2.179
363 HA2 GLY 50 2HA GLY 50 19.554 -2.584 -2.670
364 HA3 GLY 50 3HA GLY 50 20.297 -3.657 -3.846
365 H GLU 51 H GLU 51 20.796 -3.267 -0.343
366 HA GLU 51 HA GLU 51 20.461 -6.164 -0.058
367 HB2 GLU 51 2HB GLU 51 22.053 -4.112 1.306
368 HB3 GLU 51 3HB GLU 51 21.268 -5.242 2.401
369 HG2 GLU 51 2HG GLU 51 22.652 -6.428 0.086
370 HG3 GLU 51 3HG GLU 51 23.673 -5.661 1.301
371 H ASP 52 H ASP 52 18.455 -6.782 0.395
372 HA ASP 52 HA ASP 52 16.376 -5.224 1.331
373 HB2 ASP 52 2HB ASP 52 16.901 -8.172 1.344
374 HB3 ASP 52 3HB ASP 52 15.488 -7.546 2.189
375 H TYR 53 H TYR 53 16.136 -4.173 3.178
376 HA TYR 53 HA TYR 53 17.540 -5.128 5.565
377 HB2 TYR 53 2HB TYR 53 18.036 -2.858 5.179
378 HB3 TYR 53 3HB TYR 53 16.367 -2.470 4.779
379 HD1 TYR 53 HD1 TYR 53 14.720 -2.102 6.528
380 HD2 TYR 53 HD2 TYR 53 18.756 -3.040 7.493
381 HE1 TYR 53 HE1 TYR 53 14.326 -1.385 8.848
382 HE2 TYR 53 HE2 TYR 53 18.373 -2.327 9.815
383 HH TYR 53 HH TYR 53 16.949 -1.203 11.185
384 H ILE 54 H ILE 54 16.495 -5.454 7.531
385 HA ILE 54 HA ILE 54 13.554 -5.527 7.438
386 HB ILE 54 HB ILE 54 15.345 -7.648 8.628
387 HG12 ILE 54 2HG1 ILE 54 13.433 -7.733 6.283
388 HG13 ILE 54 3HG1 ILE 54 15.190 -7.771 6.183
389 HG21 ILE 54 1HG2 ILE 54 13.644 -8.220 9.931
390 HG22 ILE 54 2HG2 ILE 54 12.690 -6.881 9.294
391 HG23 ILE 54 3HG2 ILE 54 12.634 -8.457 8.505
392 HD11 ILE 54 3HD1 ILE 54 15.177 -9.968 6.384
393 HD12 ILE 54 1HD1 ILE 54 14.316 -9.853 7.918
394 HD13 ILE 54 2HD1 ILE 54 13.414 -9.934 6.405
395 H CYS 55 H CYS 55 12.874 -4.060 8.853
396 HA CYS 55 HA CYS 55 14.253 -2.840 10.871
397 HB2 CYS 55 2HB CYS 55 12.061 -2.283 11.873
398 HB3 CYS 55 3HB CYS 55 12.078 -2.047 10.129
399 HA PRO 56 HA PRO 56 14.794 -5.655 14.192
400 HB2 PRO 56 2HB PRO 56 14.543 -4.013 16.340
401 HB3 PRO 56 3HB PRO 56 15.949 -3.986 15.268
402 HG2 PRO 56 2HG PRO 56 13.562 -2.180 15.308
403 HG3 PRO 56 3HG PRO 56 15.275 -1.766 15.110
404 HD2 PRO 56 2HD PRO 56 13.563 -1.926 13.018
405 HD3 PRO 56 3HD PRO 56 15.284 -2.338 12.877
406 H ASN 57 H ASN 57 11.837 -4.115 13.650
407 HA ASN 57 HA ASN 57 10.452 -5.178 15.947
408 HB2 ASN 57 2HB ASN 57 9.944 -3.156 14.079
409 HB3 ASN 57 3HB ASN 57 8.720 -4.383 13.763
410 HD21 ASN 57 1HD2 ASN 57 8.143 -1.835 14.728
411 HD22 ASN 57 2HD2 ASN 57 7.510 -1.982 16.329
412 H CYS 58 H CYS 58 10.732 -5.941 12.508
413 HA CYS 58 HA CYS 58 8.879 -8.128 12.638
414 HB2 CYS 58 2HB CYS 58 10.821 -7.178 10.535
415 HB3 CYS 58 3HB CYS 58 9.857 -8.636 10.330
416 H THR 59 H THR 59 12.406 -7.809 12.512
417 HA THR 59 HA THR 59 13.148 -10.452 12.299
418 HB THR 59 HB THR 59 14.700 -8.469 12.347
419 HG1 THR 59 HG1 THR 59 15.464 -10.563 14.119
420 HG21 THR 59 3HG2 THR 59 14.514 -8.834 15.339
421 HG22 THR 59 1HG2 THR 59 13.818 -7.483 14.445
422 HG23 THR 59 2HG2 THR 59 15.566 -7.712 14.477
423 H ILE 60 H ILE 60 11.842 -8.767 15.060
424 HA ILE 60 HA ILE 60 12.239 -11.154 16.730
425 HB ILE 60 HB ILE 60 11.739 -9.745 18.652
426 HG12 ILE 60 2HG1 ILE 60 11.813 -7.145 17.903
427 HG13 ILE 60 3HG1 ILE 60 10.960 -7.837 16.527
428 HG21 ILE 60 1HG2 ILE 60 13.695 -8.027 17.279
429 HG22 ILE 60 2HG2 ILE 60 13.835 -8.932 18.786
430 HG23 ILE 60 3HG2 ILE 60 14.038 -9.757 17.241
431 HD11 ILE 60 3HD1 ILE 60 9.513 -8.962 18.398
432 HD12 ILE 60 1HD1 ILE 60 10.123 -7.622 19.368
433 HD13 ILE 60 2HD1 ILE 60 9.214 -7.300 17.891
434 H LEU 61 H LEU 61 9.860 -9.244 15.126
435 HA LEU 61 HA LEU 61 7.751 -10.945 16.278
436 HB2 LEU 61 2HB LEU 61 7.978 -8.200 16.591
437 HB3 LEU 61 3HB LEU 61 6.793 -8.388 15.299
438 HG LEU 61 HG LEU 61 6.523 -9.835 17.919
439 HD11 LEU 61 1HD1 LEU 61 4.966 -7.367 17.461
440 HD12 LEU 61 2HD1 LEU 61 6.663 -7.164 17.895
441 HD13 LEU 61 3HD1 LEU 61 5.582 -8.063 18.960
442 HD21 LEU 61 3HD2 LEU 61 4.745 -9.208 15.591
443 HD22 LEU 61 1HD2 LEU 61 4.067 -9.563 17.180
444 HD23 LEU 61 2HD2 LEU 61 5.068 -10.762 16.361
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -0.829 0.185 -4.896
2 HA2 GLY 1 2HA GLY 1 -0.226 2.419 -4.554
3 HA3 GLY 1 3HA GLY 1 -0.471 1.886 -2.897
4 H SER 2 H SER 2 1.060 3.554 -2.320
5 HA SER 2 HA SER 2 3.724 2.506 -2.109
6 HB2 SER 2 2HB SER 2 4.915 4.021 -3.401
7 HB3 SER 2 3HB SER 2 3.484 3.771 -4.401
8 HG SER 2 HG SER 2 2.642 5.697 -3.624
9 H MET 3 H MET 3 5.158 4.514 -1.186
10 HA MET 3 HA MET 3 3.907 5.145 1.308
11 HB2 MET 3 2HB MET 3 6.285 4.631 1.212
12 HB3 MET 3 3HB MET 3 6.564 6.003 0.149
13 HG2 MET 3 2HG MET 3 5.244 6.840 2.563
14 HG3 MET 3 3HG MET 3 6.719 5.949 2.929
15 HE1 MET 3 3HE MET 3 8.719 7.574 3.548
16 HE2 MET 3 1HE MET 3 9.012 6.516 2.168
17 HE3 MET 3 2HE MET 3 9.526 8.202 2.111
18 H ASP 4 H ASP 4 3.021 7.015 1.993
19 HA ASP 4 HA ASP 4 2.878 9.217 0.043
20 HB2 ASP 4 2HB ASP 4 0.892 7.956 1.798
21 HB3 ASP 4 3HB ASP 4 0.879 9.716 1.859
22 HA PRO 5 HA PRO 5 4.854 12.018 2.777
23 HB2 PRO 5 2HB PRO 5 3.424 14.298 2.420
24 HB3 PRO 5 3HB PRO 5 4.522 13.651 1.195
25 HG2 PRO 5 2HG PRO 5 1.544 13.412 1.385
26 HG3 PRO 5 3HG PRO 5 2.551 13.745 -0.036
27 HD2 PRO 5 2HD PRO 5 1.535 11.290 0.486
28 HD3 PRO 5 3HD PRO 5 3.095 11.524 -0.327
29 H ASN 6 H ASN 6 1.304 12.200 3.015
30 HA ASN 6 HA ASN 6 1.531 12.909 5.841
31 HB2 ASN 6 2HB ASN 6 -0.937 12.728 4.099
32 HB3 ASN 6 3HB ASN 6 -0.859 13.390 5.729
33 HD21 ASN 6 1HD2 ASN 6 -0.328 13.955 2.394
34 HD22 ASN 6 2HD2 ASN 6 0.152 15.610 2.521
35 H ALA 7 H ALA 7 2.277 10.266 5.004
36 HA ALA 7 HA ALA 7 0.115 8.632 6.150
37 HB1 ALA 7 1HB ALA 7 2.429 7.899 4.370
38 HB2 ALA 7 2HB ALA 7 1.405 6.705 5.170
39 HB3 ALA 7 3HB ALA 7 0.706 7.824 4.000
40 H LEU 8 H LEU 8 0.985 6.660 7.382
41 HA LEU 8 HA LEU 8 3.315 7.389 9.017
42 HB2 LEU 8 2HB LEU 8 0.674 6.384 10.066
43 HB3 LEU 8 3HB LEU 8 2.127 6.643 11.029
44 HG LEU 8 HG LEU 8 0.490 8.767 9.646
45 HD11 LEU 8 1HD1 LEU 8 0.194 7.495 12.149
46 HD12 LEU 8 2HD1 LEU 8 -0.679 8.892 11.522
47 HD13 LEU 8 3HD1 LEU 8 0.800 9.123 12.455
48 HD21 LEU 8 3HD2 LEU 8 2.191 10.032 11.372
49 HD22 LEU 8 1HD2 LEU 8 2.415 9.907 9.627
50 HD23 LEU 8 2HD2 LEU 8 3.215 8.760 10.703
51 H TYR 9 H TYR 9 4.577 5.703 9.705
52 HA TYR 9 HA TYR 9 3.682 2.968 9.229
53 HB2 TYR 9 2HB TYR 9 6.342 3.852 8.129
54 HB3 TYR 9 3HB TYR 9 5.459 2.365 7.799
55 HD1 TYR 9 HD2 TYR 9 5.685 5.956 7.059
56 HD2 TYR 9 HD1 TYR 9 3.692 2.306 6.159
57 HE1 TYR 9 HE2 TYR 9 4.705 6.992 5.055
58 HE2 TYR 9 HE1 TYR 9 2.708 3.331 4.152
59 HH TYR 9 HH TYR 9 2.369 5.260 3.047
60 H CYS 10 H CYS 10 6.567 4.878 10.098
61 HA CYS 10 HA CYS 10 7.878 3.062 11.673
62 HB2 CYS 10 2HB CYS 10 8.631 5.399 11.052
63 HB3 CYS 10 3HB CYS 10 7.643 5.988 12.383
64 H ILE 11 H ILE 11 8.029 2.811 13.996
65 HA ILE 11 HA ILE 11 5.626 2.165 15.218
66 HB ILE 11 HB ILE 11 6.910 2.125 17.361
67 HG12 ILE 11 2HG1 ILE 11 9.137 3.146 15.585
68 HG13 ILE 11 3HG1 ILE 11 8.418 3.992 16.951
69 HG21 ILE 11 1HG2 ILE 11 7.699 0.103 16.810
70 HG22 ILE 11 2HG2 ILE 11 7.042 0.448 15.211
71 HG23 ILE 11 3HG2 ILE 11 8.746 0.752 15.548
72 HD11 ILE 11 3HD1 ILE 11 9.947 3.101 18.266
73 HD12 ILE 11 1HD1 ILE 11 9.306 1.498 17.907
74 HD13 ILE 11 2HD1 ILE 11 10.601 2.172 16.917
75 H CYS 12 H CYS 12 7.479 5.156 15.346
76 HA CYS 12 HA CYS 12 5.875 6.361 17.383
77 HB2 CYS 12 2HB CYS 12 7.070 8.440 16.767
78 HB3 CYS 12 3HB CYS 12 8.167 7.093 17.050
79 H ARG 13 H ARG 13 5.493 5.859 14.036
80 HA ARG 13 HA ARG 13 3.867 6.446 12.558
81 HB2 ARG 13 2HB ARG 13 2.398 7.659 14.899
82 HB3 ARG 13 3HB ARG 13 1.713 7.087 13.384
83 HG2 ARG 13 2HG ARG 13 2.974 5.390 15.528
84 HG3 ARG 13 3HG ARG 13 1.252 5.519 15.161
85 HD2 ARG 13 2HD ARG 13 2.620 4.877 12.758
86 HD3 ARG 13 3HD ARG 13 3.191 3.784 14.018
87 HE ARG 13 HE ARG 13 0.484 3.752 14.291
88 HH11 ARG 13 1HH1 ARG 13 2.679 3.171 11.652
89 HH12 ARG 13 2HH1 ARG 13 1.638 2.032 10.865
90 HH21 ARG 13 1HH2 ARG 13 -0.896 2.254 13.264
91 HH22 ARG 13 2HH2 ARG 13 -0.396 1.512 11.782
92 H GLN 14 H GLN 14 5.661 7.983 11.941
93 HA GLN 14 HA GLN 14 4.604 10.723 12.005
94 HB2 GLN 14 2HB GLN 14 7.259 9.768 12.885
95 HB3 GLN 14 3HB GLN 14 7.266 11.206 11.873
96 HG2 GLN 14 2HG GLN 14 5.255 11.404 13.924
97 HG3 GLN 14 3HG GLN 14 6.841 11.070 14.619
98 HE21 GLN 14 1HE2 GLN 14 4.803 13.466 13.755
99 HE22 GLN 14 2HE2 GLN 14 5.934 14.747 13.500
100 HA PRO 15 HA PRO 15 5.222 10.799 7.664
101 HB2 PRO 15 2HB PRO 15 5.980 13.371 7.239
102 HB3 PRO 15 3HB PRO 15 4.328 12.915 7.675
103 HG2 PRO 15 2HG PRO 15 6.523 13.975 9.413
104 HG3 PRO 15 3HG PRO 15 4.804 14.409 9.392
105 HD2 PRO 15 2HD PRO 15 5.858 12.720 11.228
106 HD3 PRO 15 3HD PRO 15 4.193 12.563 10.630
107 H HIS 16 H HIS 16 6.778 10.744 6.022
108 HA HIS 16 HA HIS 16 9.467 10.264 6.921
109 HB2 HIS 16 2HB HIS 16 9.869 9.356 4.808
110 HB3 HIS 16 3HB HIS 16 8.158 9.023 5.059
111 HD1 HIS 16 HD1 HIS 16 6.491 10.790 3.844
112 HD2 HIS 16 HD2 HIS 16 10.428 10.714 2.519
113 HE1 HIS 16 HE1 HIS 16 6.467 11.920 1.598
114 H ASN 17 H ASN 17 7.832 13.026 6.196
115 HA ASN 17 HA ASN 17 10.007 14.376 4.815
116 HB2 ASN 17 2HB ASN 17 8.417 16.381 5.075
117 HB3 ASN 17 3HB ASN 17 7.902 15.066 4.022
118 HD21 ASN 17 1HD2 ASN 17 7.715 16.036 7.430
119 HD22 ASN 17 2HD2 ASN 17 6.070 15.557 7.651
120 H ASN 18 H ASN 18 10.797 13.418 7.285
121 HA ASN 18 HA ASN 18 11.272 15.931 8.725
122 HB2 ASN 18 2HB ASN 18 10.061 13.440 9.772
123 HB3 ASN 18 3HB ASN 18 11.292 14.183 10.789
124 HD21 ASN 18 1HD2 ASN 18 9.432 14.411 12.244
125 HD22 ASN 18 2HD2 ASN 18 8.431 15.810 12.084
126 H ARG 19 H ARG 19 12.225 12.568 9.356
127 HA ARG 19 HA ARG 19 15.028 13.371 8.926
128 HB2 ARG 19 2HB ARG 19 15.514 11.541 10.675
129 HB3 ARG 19 3HB ARG 19 14.899 13.088 11.241
130 HG2 ARG 19 2HG ARG 19 12.860 12.224 11.823
131 HG3 ARG 19 3HG ARG 19 12.964 10.906 10.654
132 HD2 ARG 19 2HD ARG 19 13.523 9.607 12.380
133 HD3 ARG 19 3HD ARG 19 15.084 10.425 12.347
134 HE ARG 19 HE ARG 19 13.635 12.065 13.890
135 HH11 ARG 19 1HH1 ARG 19 14.058 8.610 13.936
136 HH12 ARG 19 2HH1 ARG 19 13.834 8.474 15.649
137 HH21 ARG 19 1HH2 ARG 19 13.339 11.900 16.146
138 HH22 ARG 19 2HH2 ARG 19 13.425 10.346 16.905
139 H PHE 20 H PHE 20 16.455 11.317 8.707
140 HA PHE 20 HA PHE 20 15.865 10.053 6.329
141 HB2 PHE 20 2HB PHE 20 18.118 10.048 7.128
142 HB3 PHE 20 3HB PHE 20 17.662 9.189 8.595
143 HD1 PHE 20 HD1 PHE 20 18.125 8.868 4.956
144 HD2 PHE 20 HD2 PHE 20 17.487 6.827 8.636
145 HE1 PHE 20 HE1 PHE 20 18.636 6.728 3.854
146 HE2 PHE 20 HE2 PHE 20 17.998 4.684 7.540
147 HZ PHE 20 HZ PHE 20 18.574 4.633 5.146
148 H MET 21 H MET 21 15.107 8.006 5.753
149 HA MET 21 HA MET 21 13.843 6.397 7.845
150 HB2 MET 21 2HB MET 21 12.463 7.792 5.605
151 HB3 MET 21 3HB MET 21 11.908 6.179 6.029
152 HG2 MET 21 2HG MET 21 11.826 7.101 8.441
153 HG3 MET 21 3HG MET 21 11.861 8.680 7.659
154 HE1 MET 21 3HE MET 21 8.445 5.743 7.998
155 HE2 MET 21 1HE MET 21 10.153 5.434 8.310
156 HE3 MET 21 2HE MET 21 9.259 6.556 9.335
157 H ILE 22 H ILE 22 13.432 4.213 7.237
158 HA ILE 22 HA ILE 22 14.902 3.356 4.829
159 HB ILE 22 HB ILE 22 16.064 2.805 6.977
160 HG12 ILE 22 2HG1 ILE 22 15.158 0.278 5.617
161 HG13 ILE 22 3HG1 ILE 22 16.154 1.459 4.773
162 HG21 ILE 22 1HG2 ILE 22 13.494 2.014 7.761
163 HG22 ILE 22 2HG2 ILE 22 14.447 0.535 7.665
164 HG23 ILE 22 3HG2 ILE 22 14.991 1.869 8.681
165 HD11 ILE 22 3HD1 ILE 22 17.479 -0.351 5.732
166 HD12 ILE 22 1HD1 ILE 22 17.895 1.210 6.438
167 HD13 ILE 22 2HD1 ILE 22 16.891 0.074 7.340
168 H CYS 23 H CYS 23 14.149 1.450 3.779
169 HA CYS 23 HA CYS 23 11.274 1.008 4.176
170 HB2 CYS 23 2HB CYS 23 11.817 1.763 1.952
171 HB3 CYS 23 3HB CYS 23 13.061 0.530 1.786
172 HG CYS 23 HG CYS 23 9.696 -0.072 1.975
173 H CYS 24 H CYS 24 10.609 -0.826 5.061
174 HA CYS 24 HA CYS 24 12.494 -3.060 5.264
175 HB2 CYS 24 2HB CYS 24 11.621 -2.333 7.388
176 HB3 CYS 24 3HB CYS 24 9.968 -2.415 6.791
177 H ASP 25 H ASP 25 12.281 -4.722 3.935
178 HA ASP 25 HA ASP 25 9.969 -5.006 2.255
179 HB2 ASP 25 2HB ASP 25 12.637 -6.286 2.475
180 HB3 ASP 25 3HB ASP 25 11.357 -7.251 1.745
181 H ARG 26 H ARG 26 11.073 -6.369 5.234
182 HA ARG 26 HA ARG 26 9.778 -8.817 5.289
183 HB2 ARG 26 2HB ARG 26 11.282 -7.470 7.058
184 HB3 ARG 26 3HB ARG 26 9.700 -7.198 7.775
185 HG2 ARG 26 2HG ARG 26 10.803 -9.912 7.089
186 HG3 ARG 26 3HG ARG 26 10.904 -9.165 8.684
187 HD2 ARG 26 2HD ARG 26 8.498 -9.107 8.856
188 HD3 ARG 26 3HD ARG 26 8.332 -9.704 7.206
189 HE ARG 26 HE ARG 26 9.811 -11.604 8.530
190 HH11 ARG 26 1HH1 ARG 26 6.670 -10.150 8.903
191 HH12 ARG 26 2HH1 ARG 26 5.960 -11.557 9.623
192 HH21 ARG 26 1HH2 ARG 26 8.888 -13.463 9.478
193 HH22 ARG 26 2HH2 ARG 26 7.223 -13.441 9.951
194 H CYS 27 H CYS 27 8.519 -5.752 6.619
195 HA CYS 27 HA CYS 27 5.812 -6.869 6.449
196 HB2 CYS 27 2HB CYS 27 5.195 -4.932 7.917
197 HB3 CYS 27 3HB CYS 27 6.344 -6.050 8.642
198 H GLU 28 H GLU 28 7.882 -4.896 4.741
199 HA GLU 28 HA GLU 28 7.606 -3.548 2.928
200 HB2 GLU 28 2HB GLU 28 5.707 -5.342 2.569
201 HB3 GLU 28 3HB GLU 28 4.649 -3.986 2.929
202 HG2 GLU 28 2HG GLU 28 4.748 -3.642 0.721
203 HG3 GLU 28 3HG GLU 28 6.278 -2.855 1.105
204 H GLU 29 H GLU 29 7.811 -2.227 5.233
205 HA GLU 29 HA GLU 29 5.969 0.025 4.862
206 HB2 GLU 29 2HB GLU 29 6.060 -1.689 7.151
207 HB3 GLU 29 3HB GLU 29 6.630 -0.094 7.620
208 HG2 GLU 29 2HG GLU 29 4.518 0.526 7.811
209 HG3 GLU 29 3HG GLU 29 4.371 0.376 6.061
210 H TRP 30 H TRP 30 6.892 1.807 6.620
211 HA TRP 30 HA TRP 30 9.750 2.072 5.947
212 HB2 TRP 30 2HB TRP 30 7.524 4.087 5.961
213 HB3 TRP 30 3HB TRP 30 9.189 4.607 6.209
214 HD1 TRP 30 HD1 TRP 30 6.804 3.398 3.525
215 HE1 TRP 30 HE1 TRP 30 7.954 3.582 1.229
216 HE3 TRP 30 HE3 TRP 30 11.555 4.472 5.079
217 HZ2 TRP 30 HZ2 TRP 30 10.533 4.111 0.211
218 HZ3 TRP 30 HZ3 TRP 30 13.305 4.802 3.381
219 HH2 TRP 30 HH2 TRP 30 12.802 4.625 0.998
220 H PHE 31 H PHE 31 11.111 3.097 7.481
221 HA PHE 31 HA PHE 31 10.023 3.544 10.152
222 HB2 PHE 31 2HB PHE 31 12.240 1.576 9.551
223 HB3 PHE 31 3HB PHE 31 11.826 2.143 11.166
224 HD1 PHE 31 HD1 PHE 31 10.772 0.071 8.341
225 HD2 PHE 31 HD2 PHE 31 9.831 1.383 12.280
226 HE1 PHE 31 HE1 PHE 31 9.094 -1.718 8.532
227 HE2 PHE 31 HE2 PHE 31 8.152 -0.404 12.477
228 HZ PHE 31 HZ PHE 31 7.782 -1.958 10.603
229 H HIS 32 H HIS 32 11.819 4.363 11.647
230 HA HIS 32 HA HIS 32 13.379 6.337 10.143
231 HB2 HIS 32 2HB HIS 32 12.333 6.233 12.958
232 HB3 HIS 32 3HB HIS 32 13.634 7.338 12.524
233 HD2 HIS 32 HD2 HIS 32 12.584 8.668 9.837
234 HE1 HIS 32 HE1 HIS 32 8.931 9.325 11.892
235 HE2 HIS 32 HE2 HIS 32 10.313 9.905 9.867
236 H GLY 33 H GLY 33 15.535 6.257 10.049
237 HA2 GLY 33 2HA GLY 33 17.028 4.057 10.793
238 HA3 GLY 33 3HA GLY 33 17.707 5.649 10.487
239 H ASP 34 H ASP 34 16.262 6.908 12.687
240 HA ASP 34 HA ASP 34 18.153 6.342 14.762
241 HB2 ASP 34 2HB ASP 34 16.311 8.449 14.109
242 HB3 ASP 34 3HB ASP 34 16.086 7.973 15.790
243 H CYS 35 H CYS 35 14.703 5.767 14.274
244 HA CYS 35 HA CYS 35 14.190 4.747 16.866
245 HB2 CYS 35 2HB CYS 35 12.741 4.448 14.236
246 HB3 CYS 35 3HB CYS 35 12.147 3.741 15.733
247 H VAL 36 H VAL 36 15.085 3.233 13.802
248 HA VAL 36 HA VAL 36 14.974 0.569 14.917
249 HB VAL 36 HB VAL 36 15.943 -0.116 12.713
250 HG11 VAL 36 1HG1 VAL 36 13.425 0.345 13.321
251 HG12 VAL 36 2HG1 VAL 36 13.601 1.621 12.115
252 HG13 VAL 36 3HG1 VAL 36 13.904 -0.060 11.673
253 HG21 VAL 36 3HG2 VAL 36 15.399 2.354 11.340
254 HG22 VAL 36 1HG2 VAL 36 16.647 2.587 12.565
255 HG23 VAL 36 2HG2 VAL 36 16.854 1.358 11.318
256 H GLY 37 H GLY 37 17.353 3.053 14.411
257 HA2 GLY 37 2HA GLY 37 19.346 3.011 15.788
258 HA3 GLY 37 3HA GLY 37 19.377 1.264 15.596
259 H ILE 38 H ILE 38 18.604 1.948 12.644
260 HA ILE 38 HA ILE 38 21.190 1.600 11.580
261 HB ILE 38 HB ILE 38 18.659 2.508 10.205
262 HG12 ILE 38 2HG1 ILE 38 18.535 0.277 11.269
263 HG13 ILE 38 3HG1 ILE 38 18.452 0.181 9.513
264 HG21 ILE 38 1HG2 ILE 38 20.103 3.065 8.567
265 HG22 ILE 38 2HG2 ILE 38 21.400 2.069 9.227
266 HG23 ILE 38 3HG2 ILE 38 20.119 1.327 8.269
267 HD11 ILE 38 3HD1 ILE 38 20.115 -1.267 9.540
268 HD12 ILE 38 1HD1 ILE 38 21.169 -0.033 10.230
269 HD13 ILE 38 2HD1 ILE 38 20.254 -1.105 11.291
270 H SER 39 H SER 39 22.601 2.993 10.583
271 HA SER 39 HA SER 39 22.254 5.815 11.250
272 HB2 SER 39 2HB SER 39 24.725 4.535 10.083
273 HB3 SER 39 3HB SER 39 24.605 6.046 10.984
274 HG SER 39 HG SER 39 24.569 3.407 11.907
275 H GLU 40 H GLU 40 22.565 7.484 9.721
276 HA GLU 40 HA GLU 40 21.256 7.210 7.308
277 HB2 GLU 40 2HB GLU 40 21.577 9.389 8.247
278 HB3 GLU 40 3HB GLU 40 23.326 9.227 8.175
279 HG2 GLU 40 2HG GLU 40 23.248 9.262 5.746
280 HG3 GLU 40 3HG GLU 40 21.490 9.380 5.795
281 H ALA 41 H ALA 41 24.607 6.627 8.073
282 HA ALA 41 HA ALA 41 25.504 6.515 5.352
283 HB1 ALA 41 1HB ALA 41 27.089 5.087 7.369
284 HB2 ALA 41 2HB ALA 41 27.569 6.336 6.219
285 HB3 ALA 41 3HB ALA 41 26.778 6.786 7.730
286 H ARG 42 H ARG 42 24.608 4.125 7.811
287 HA ARG 42 HA ARG 42 25.218 1.852 6.226
288 HB2 ARG 42 2HB ARG 42 23.441 2.213 8.640
289 HB3 ARG 42 3HB ARG 42 23.756 0.650 7.897
290 HG2 ARG 42 2HG ARG 42 26.171 2.173 8.520
291 HG3 ARG 42 3HG ARG 42 25.196 1.748 9.929
292 HD2 ARG 42 2HD ARG 42 25.425 -0.529 9.560
293 HD3 ARG 42 3HD ARG 42 25.821 -0.313 7.856
294 HE ARG 42 HE ARG 42 27.648 -0.392 10.024
295 HH11 ARG 42 1HH1 ARG 42 27.066 1.153 6.958
296 HH12 ARG 42 2HH1 ARG 42 28.743 1.454 6.645
297 HH21 ARG 42 1HH2 ARG 42 29.859 0.000 9.622
298 HH22 ARG 42 2HH2 ARG 42 30.331 0.798 8.160
299 H GLY 43 H GLY 43 22.134 3.462 7.004
300 HA2 GLY 43 2HA GLY 43 20.410 1.838 5.580
301 HA3 GLY 43 3HA GLY 43 20.159 3.559 5.835
302 H ARG 44 H ARG 44 22.621 4.258 4.366
303 HA ARG 44 HA ARG 44 21.448 4.383 1.752
304 HB2 ARG 44 2HB ARG 44 22.857 6.187 2.875
305 HB3 ARG 44 3HB ARG 44 24.256 5.194 2.490
306 HG2 ARG 44 2HG ARG 44 24.219 6.645 0.716
307 HG3 ARG 44 3HG ARG 44 23.303 5.283 0.067
308 HD2 ARG 44 2HD ARG 44 21.215 6.458 0.797
309 HD3 ARG 44 3HD ARG 44 22.214 7.854 1.197
310 HE ARG 44 HE ARG 44 21.439 6.964 -1.431
311 HH11 ARG 44 1HH1 ARG 44 23.719 8.828 0.425
312 HH12 ARG 44 2HH1 ARG 44 24.177 9.837 -0.907
313 HH21 ARG 44 1HH2 ARG 44 22.033 8.287 -3.192
314 HH22 ARG 44 2HH2 ARG 44 23.216 9.529 -2.964
315 H LEU 45 H LEU 45 24.191 2.702 3.216
316 HA LEU 45 HA LEU 45 25.376 1.636 0.955
317 HB2 LEU 45 2HB LEU 45 25.699 1.371 3.670
318 HB3 LEU 45 3HB LEU 45 25.221 -0.252 3.175
319 HG LEU 45 HG LEU 45 27.103 -0.116 1.467
320 HD11 LEU 45 1HD1 LEU 45 27.442 2.289 1.522
321 HD12 LEU 45 2HD1 LEU 45 28.914 1.444 1.998
322 HD13 LEU 45 3HD1 LEU 45 27.897 2.202 3.224
323 HD21 LEU 45 3HD2 LEU 45 28.749 -0.151 3.694
324 HD22 LEU 45 1HD2 LEU 45 27.891 -1.526 2.999
325 HD23 LEU 45 2HD2 LEU 45 27.166 -0.612 4.322
326 H LEU 46 H LEU 46 22.787 0.202 2.935
327 HA LEU 46 HA LEU 46 22.437 -2.078 1.299
328 HB2 LEU 46 2HB LEU 46 20.709 -0.722 3.345
329 HB3 LEU 46 3HB LEU 46 20.161 -2.148 2.466
330 HG LEU 46 HG LEU 46 22.204 -3.334 3.374
331 HD11 LEU 46 1HD1 LEU 46 23.119 -2.349 5.474
332 HD12 LEU 46 2HD1 LEU 46 22.302 -0.842 5.062
333 HD13 LEU 46 3HD1 LEU 46 23.565 -1.477 4.007
334 HD21 LEU 46 3HD2 LEU 46 19.858 -3.542 4.246
335 HD22 LEU 46 1HD2 LEU 46 20.284 -2.349 5.474
336 HD23 LEU 46 2HD2 LEU 46 21.129 -3.897 5.417
337 H GLU 47 H GLU 47 21.281 1.182 1.097
338 HA GLU 47 HA GLU 47 19.091 0.655 -0.660
339 HB2 GLU 47 2HB GLU 47 20.089 2.879 0.746
340 HB3 GLU 47 3HB GLU 47 20.153 3.319 -0.955
341 HG2 GLU 47 2HG GLU 47 17.667 2.085 0.114
342 HG3 GLU 47 3HG GLU 47 18.015 3.772 0.487
343 H ARG 48 H ARG 48 22.476 1.537 -1.083
344 HA ARG 48 HA ARG 48 22.218 1.786 -3.949
345 HB2 ARG 48 2HB ARG 48 24.065 2.652 -2.022
346 HB3 ARG 48 3HB ARG 48 24.942 1.508 -3.030
347 HG2 ARG 48 2HG ARG 48 25.156 3.021 -4.628
348 HG3 ARG 48 3HG ARG 48 23.407 3.250 -4.695
349 HD2 ARG 48 2HD ARG 48 23.576 4.821 -2.797
350 HD3 ARG 48 3HD ARG 48 25.329 4.629 -2.823
351 HE ARG 48 HE ARG 48 24.296 5.441 -5.357
352 HH11 ARG 48 1HH1 ARG 48 25.202 6.583 -2.195
353 HH12 ARG 48 2HH1 ARG 48 25.544 8.194 -2.732
354 HH21 ARG 48 1HH2 ARG 48 24.744 7.558 -6.076
355 HH22 ARG 48 2HH2 ARG 48 25.283 8.748 -4.940
356 H ASN 49 H ASN 49 23.559 -0.543 -1.650
357 HA ASN 49 HA ASN 49 24.505 -2.314 -3.702
358 HB2 ASN 49 2HB ASN 49 24.278 -2.487 -0.709
359 HB3 ASN 49 3HB ASN 49 24.698 -3.907 -1.662
360 HD21 ASN 49 1HD2 ASN 49 26.226 -2.318 0.311
361 HD22 ASN 49 2HD2 ASN 49 27.685 -1.871 -0.499
362 H GLY 50 H GLY 50 21.534 -1.825 -2.018
363 HA2 GLY 50 2HA GLY 50 19.457 -2.739 -2.493
364 HA3 GLY 50 3HA GLY 50 20.231 -3.810 -3.652
365 H GLU 51 H GLU 51 20.701 -3.363 -0.152
366 HA GLU 51 HA GLU 51 20.449 -6.263 0.170
367 HB2 GLU 51 2HB GLU 51 21.936 -4.135 1.540
368 HB3 GLU 51 3HB GLU 51 21.180 -5.291 2.629
369 HG2 GLU 51 2HG GLU 51 22.285 -7.120 1.382
370 HG3 GLU 51 3HG GLU 51 23.117 -5.907 0.410
371 H ASP 52 H ASP 52 18.447 -6.933 0.577
372 HA ASP 52 HA ASP 52 16.305 -5.436 1.466
373 HB2 ASP 52 2HB ASP 52 15.421 -7.741 2.281
374 HB3 ASP 52 3HB ASP 52 15.734 -7.508 0.564
375 H TYR 53 H TYR 53 16.360 -4.209 3.246
376 HA TYR 53 HA TYR 53 17.614 -5.187 5.679
377 HB2 TYR 53 2HB TYR 53 18.114 -2.925 5.264
378 HB3 TYR 53 3HB TYR 53 16.449 -2.542 4.841
379 HD1 TYR 53 HD1 TYR 53 18.806 -3.090 7.592
380 HD2 TYR 53 HD2 TYR 53 14.792 -2.126 6.563
381 HE1 TYR 53 HE1 TYR 53 18.401 -2.338 9.899
382 HE2 TYR 53 HE2 TYR 53 14.376 -1.370 8.867
383 HH TYR 53 HH TYR 53 16.964 -1.367 11.294
384 H ILE 54 H ILE 54 16.553 -5.473 7.646
385 HA ILE 54 HA ILE 54 13.613 -5.554 7.530
386 HB ILE 54 HB ILE 54 15.403 -7.649 8.766
387 HG12 ILE 54 2HG1 ILE 54 13.497 -7.762 6.419
388 HG13 ILE 54 3HG1 ILE 54 15.253 -7.839 6.335
389 HG21 ILE 54 1HG2 ILE 54 12.395 -7.451 8.719
390 HG22 ILE 54 2HG2 ILE 54 13.325 -8.820 9.325
391 HG23 ILE 54 3HG2 ILE 54 13.429 -7.256 10.134
392 HD11 ILE 54 3HD1 ILE 54 15.212 -9.947 7.568
393 HD12 ILE 54 1HD1 ILE 54 13.452 -9.870 7.632
394 HD13 ILE 54 2HD1 ILE 54 14.272 -10.037 6.079
395 H CYS 55 H CYS 55 12.917 -4.062 8.911
396 HA CYS 55 HA CYS 55 14.278 -2.799 10.916
397 HB2 CYS 55 2HB CYS 55 12.073 -2.231 11.890
398 HB3 CYS 55 3HB CYS 55 12.109 -2.022 10.143
399 HA PRO 56 HA PRO 56 14.793 -5.541 14.300
400 HB2 PRO 56 2HB PRO 56 14.504 -3.860 16.413
401 HB3 PRO 56 3HB PRO 56 15.923 -3.843 15.358
402 HG2 PRO 56 2HG PRO 56 13.523 -2.054 15.334
403 HG3 PRO 56 3HG PRO 56 15.235 -1.631 15.148
404 HD2 PRO 56 2HD PRO 56 13.550 -1.844 13.039
405 HD3 PRO 56 3HD PRO 56 15.276 -2.246 12.927
406 H ASN 57 H ASN 57 11.832 -4.041 13.686
407 HA ASN 57 HA ASN 57 10.427 -5.071 15.988
408 HB2 ASN 57 2HB ASN 57 9.928 -3.085 14.076
409 HB3 ASN 57 3HB ASN 57 8.710 -4.322 13.779
410 HD21 ASN 57 1HD2 ASN 57 8.120 -1.757 14.689
411 HD22 ASN 57 2HD2 ASN 57 7.478 -1.873 16.289
412 H CYS 58 H CYS 58 10.730 -5.874 12.557
413 HA CYS 58 HA CYS 58 8.901 -8.080 12.712
414 HB2 CYS 58 2HB CYS 58 10.836 -7.144 10.596
415 HB3 CYS 58 3HB CYS 58 9.868 -8.601 10.410
416 H THR 59 H THR 59 12.421 -7.715 12.605
417 HA THR 59 HA THR 59 13.208 -10.345 12.404
418 HB THR 59 HB THR 59 14.722 -8.330 12.476
419 HG1 THR 59 HG1 THR 59 15.322 -10.623 14.055
420 HG21 THR 59 3HG2 THR 59 15.559 -7.577 14.618
421 HG22 THR 59 1HG2 THR 59 14.522 -8.725 15.464
422 HG23 THR 59 2HG2 THR 59 13.807 -7.379 14.576
423 H ILE 60 H ILE 60 11.842 -8.682 15.150
424 HA ILE 60 HA ILE 60 12.249 -11.068 16.819
425 HB ILE 60 HB ILE 60 11.723 -9.669 18.741
426 HG12 ILE 60 2HG1 ILE 60 11.786 -7.065 17.996
427 HG13 ILE 60 3HG1 ILE 60 10.944 -7.762 16.616
428 HG21 ILE 60 1HG2 ILE 60 14.036 -9.677 17.378
429 HG22 ILE 60 2HG2 ILE 60 13.682 -7.950 17.359
430 HG23 ILE 60 3HG2 ILE 60 13.806 -8.808 18.895
431 HD11 ILE 60 3HD1 ILE 60 9.482 -8.893 18.457
432 HD12 ILE 60 1HD1 ILE 60 10.097 -7.580 19.461
433 HD13 ILE 60 2HD1 ILE 60 9.198 -7.217 17.987
434 H LEU 61 H LEU 61 9.864 -9.144 15.226
435 HA LEU 61 HA LEU 61 7.755 -10.853 16.372
436 HB2 LEU 61 2HB LEU 61 7.922 -8.191 16.786
437 HB3 LEU 61 3HB LEU 61 6.970 -8.220 15.302
438 HG LEU 61 HG LEU 61 5.989 -10.049 17.364
439 HD11 LEU 61 1HD1 LEU 61 6.419 -8.582 19.047
440 HD12 LEU 61 2HD1 LEU 61 4.908 -7.891 18.459
441 HD13 LEU 61 3HD1 LEU 61 6.448 -7.183 17.974
442 HD21 LEU 61 3HD2 LEU 61 4.916 -8.051 15.427
443 HD22 LEU 61 1HD2 LEU 61 3.902 -8.592 16.765
444 HD23 LEU 61 2HD2 LEU 61 4.533 -9.764 15.609
Start of MODEL 7
1 H1 GLY 1 H GLY 1 1.643 -0.281 -4.857
2 HA2 GLY 1 2HA GLY 1 0.545 0.943 -2.431
3 HA3 GLY 1 3HA GLY 1 1.616 -0.437 -2.240
4 H SER 2 H SER 2 1.468 2.875 -2.335
5 HA SER 2 HA SER 2 4.378 3.046 -2.676
6 HB2 SER 2 2HB SER 2 3.998 5.281 -3.832
7 HB3 SER 2 3HB SER 2 3.587 3.849 -4.775
8 HG SER 2 HG SER 2 2.012 5.890 -4.047
9 H MET 3 H MET 3 5.404 4.596 -1.418
10 HA MET 3 HA MET 3 4.233 5.208 1.053
11 HB2 MET 3 2HB MET 3 6.692 5.040 0.573
12 HB3 MET 3 3HB MET 3 6.593 6.615 -0.203
13 HG2 MET 3 2HG MET 3 5.409 6.824 2.365
14 HG3 MET 3 3HG MET 3 6.962 6.008 2.535
15 HE1 MET 3 3HE MET 3 9.582 8.491 1.936
16 HE2 MET 3 1HE MET 3 8.878 7.877 3.433
17 HE3 MET 3 2HE MET 3 9.090 6.801 2.052
18 H ASP 4 H ASP 4 2.914 6.784 1.682
19 HA ASP 4 HA ASP 4 2.225 8.886 -0.213
20 HB2 ASP 4 2HB ASP 4 0.932 7.626 2.129
21 HB3 ASP 4 3HB ASP 4 0.611 9.345 1.916
22 HA PRO 5 HA PRO 5 4.346 12.179 1.759
23 HB2 PRO 5 2HB PRO 5 2.553 14.211 1.597
24 HB3 PRO 5 3HB PRO 5 3.424 13.585 0.193
25 HG2 PRO 5 2HG PRO 5 0.637 12.994 1.112
26 HG3 PRO 5 3HG PRO 5 1.232 13.303 -0.530
27 HD2 PRO 5 2HD PRO 5 0.733 10.807 0.394
28 HD3 PRO 5 3HD PRO 5 2.014 11.150 -0.786
29 H ASN 6 H ASN 6 0.937 12.069 2.811
30 HA ASN 6 HA ASN 6 1.827 12.792 5.520
31 HB2 ASN 6 2HB ASN 6 -0.637 13.330 5.867
32 HB3 ASN 6 3HB ASN 6 0.240 14.388 4.767
33 HD21 ASN 6 1HD2 ASN 6 -0.448 14.597 2.728
34 HD22 ASN 6 2HD2 ASN 6 -1.761 13.713 2.036
35 H ALA 7 H ALA 7 2.341 10.235 4.962
36 HA ALA 7 HA ALA 7 0.122 8.705 6.152
37 HB1 ALA 7 1HB ALA 7 1.764 6.783 5.210
38 HB2 ALA 7 2HB ALA 7 0.440 7.490 4.282
39 HB3 ALA 7 3HB ALA 7 2.088 8.075 4.054
40 H LEU 8 H LEU 8 1.027 6.673 7.344
41 HA LEU 8 HA LEU 8 3.365 7.419 8.959
42 HB2 LEU 8 2HB LEU 8 0.751 6.366 10.029
43 HB3 LEU 8 3HB LEU 8 2.210 6.644 10.977
44 HG LEU 8 HG LEU 8 0.540 8.756 9.614
45 HD11 LEU 8 1HD1 LEU 8 0.820 9.074 12.432
46 HD12 LEU 8 2HD1 LEU 8 0.230 7.447 12.094
47 HD13 LEU 8 3HD1 LEU 8 -0.648 8.848 11.481
48 HD21 LEU 8 3HD2 LEU 8 3.252 8.774 10.712
49 HD22 LEU 8 1HD2 LEU 8 2.201 10.030 11.365
50 HD23 LEU 8 2HD2 LEU 8 2.457 9.913 9.624
51 H TYR 9 H TYR 9 4.638 5.736 9.662
52 HA TYR 9 HA TYR 9 3.782 2.998 9.130
53 HB2 TYR 9 2HB TYR 9 6.470 3.867 8.113
54 HB3 TYR 9 3HB TYR 9 5.530 2.443 7.679
55 HD1 TYR 9 HD1 TYR 9 3.678 2.612 6.089
56 HD2 TYR 9 HD2 TYR 9 6.066 5.998 7.053
57 HE1 TYR 9 HE1 TYR 9 2.793 3.789 4.119
58 HE2 TYR 9 HE2 TYR 9 5.188 7.185 5.087
59 HH TYR 9 HH TYR 9 3.729 7.137 3.406
60 H CYS 10 H CYS 10 6.654 4.904 10.055
61 HA CYS 10 HA CYS 10 7.950 3.085 11.628
62 HB2 CYS 10 2HB CYS 10 8.692 5.436 11.057
63 HB3 CYS 10 3HB CYS 10 7.674 5.997 12.377
64 H ILE 11 H ILE 11 8.065 2.781 13.942
65 HA ILE 11 HA ILE 11 5.644 2.107 15.117
66 HB ILE 11 HB ILE 11 6.898 2.001 17.270
67 HG12 ILE 11 2HG1 ILE 11 9.154 3.083 15.567
68 HG13 ILE 11 3HG1 ILE 11 8.401 3.891 16.938
69 HG21 ILE 11 1HG2 ILE 11 7.718 0.004 16.671
70 HG22 ILE 11 2HG2 ILE 11 7.070 0.389 15.078
71 HG23 ILE 11 3HG2 ILE 11 8.769 0.697 15.437
72 HD11 ILE 11 3HD1 ILE 11 9.249 2.180 18.433
73 HD12 ILE 11 1HD1 ILE 11 9.967 1.326 17.068
74 HD13 ILE 11 2HD1 ILE 11 10.561 2.924 17.519
75 H CYS 12 H CYS 12 7.491 5.094 15.320
76 HA CYS 12 HA CYS 12 5.878 6.254 17.376
77 HB2 CYS 12 2HB CYS 12 7.077 8.340 16.827
78 HB3 CYS 12 3HB CYS 12 8.179 6.987 17.050
79 H ARG 13 H ARG 13 5.497 5.806 14.026
80 HA ARG 13 HA ARG 13 3.882 6.427 12.550
81 HB2 ARG 13 2HB ARG 13 2.411 7.558 14.933
82 HB3 ARG 13 3HB ARG 13 1.722 7.073 13.389
83 HG2 ARG 13 2HG ARG 13 2.956 5.258 15.449
84 HG3 ARG 13 3HG ARG 13 1.239 5.416 15.071
85 HD2 ARG 13 2HD ARG 13 2.607 4.889 12.648
86 HD3 ARG 13 3HD ARG 13 3.197 3.742 13.850
87 HE ARG 13 HE ARG 13 0.454 3.736 14.089
88 HH11 ARG 13 1HH1 ARG 13 2.779 3.060 11.587
89 HH12 ARG 13 2HH1 ARG 13 1.777 1.891 10.791
90 HH21 ARG 13 1HH2 ARG 13 -0.874 2.199 13.051
91 HH22 ARG 13 2HH2 ARG 13 -0.301 1.403 11.624
92 H GLN 14 H GLN 14 5.670 7.986 11.972
93 HA GLN 14 HA GLN 14 4.604 10.721 12.103
94 HB2 GLN 14 2HB GLN 14 7.261 9.750 12.955
95 HB3 GLN 14 3HB GLN 14 7.267 11.208 11.973
96 HG2 GLN 14 2HG GLN 14 5.257 11.378 14.021
97 HG3 GLN 14 3HG GLN 14 6.834 11.009 14.718
98 HE21 GLN 14 1HE2 GLN 14 8.636 12.358 13.531
99 HE22 GLN 14 2HE2 GLN 14 8.310 14.053 13.455
100 HA PRO 15 HA PRO 15 5.214 10.912 7.764
101 HB2 PRO 15 2HB PRO 15 5.986 13.489 7.403
102 HB3 PRO 15 3HB PRO 15 4.333 13.033 7.833
103 HG2 PRO 15 2HG PRO 15 6.540 14.033 9.591
104 HG3 PRO 15 3HG PRO 15 4.824 14.479 9.587
105 HD2 PRO 15 2HD PRO 15 5.873 12.736 11.374
106 HD3 PRO 15 3HD PRO 15 4.205 12.605 10.778
107 H HIS 16 H HIS 16 6.764 10.893 6.114
108 HA HIS 16 HA HIS 16 9.453 10.373 6.992
109 HB2 HIS 16 2HB HIS 16 9.849 9.535 4.842
110 HB3 HIS 16 3HB HIS 16 8.147 9.175 5.113
111 HD1 HIS 16 HD1 HIS 16 10.323 10.548 2.646
112 HD2 HIS 16 HD2 HIS 16 6.450 11.361 3.912
113 HE1 HIS 16 HE1 HIS 16 9.258 11.836 0.767
114 H ASN 17 H ASN 17 7.825 13.160 6.320
115 HA ASN 17 HA ASN 17 9.999 14.533 4.968
116 HB2 ASN 17 2HB ASN 17 8.426 16.542 5.303
117 HB3 ASN 17 3HB ASN 17 7.890 15.261 4.220
118 HD21 ASN 17 1HD2 ASN 17 7.750 16.132 7.656
119 HD22 ASN 17 2HD2 ASN 17 6.103 15.660 7.883
120 H ASN 18 H ASN 18 10.819 13.505 7.395
121 HA ASN 18 HA ASN 18 11.279 15.970 8.928
122 HB2 ASN 18 2HB ASN 18 10.176 13.394 9.873
123 HB3 ASN 18 3HB ASN 18 11.431 14.100 10.888
124 HD21 ASN 18 1HD2 ASN 18 10.163 14.679 12.576
125 HD22 ASN 18 2HD2 ASN 18 8.921 15.876 12.481
126 H ARG 19 H ARG 19 12.381 12.641 9.438
127 HA ARG 19 HA ARG 19 15.130 13.547 8.881
128 HB2 ARG 19 2HB ARG 19 15.947 12.159 10.672
129 HB3 ARG 19 3HB ARG 19 14.690 13.212 11.308
130 HG2 ARG 19 2HG ARG 19 13.323 10.934 10.537
131 HG3 ARG 19 3HG ARG 19 14.826 10.325 11.233
132 HD2 ARG 19 2HD ARG 19 12.819 12.162 12.528
133 HD3 ARG 19 3HD ARG 19 13.194 10.500 12.981
134 HE ARG 19 HE ARG 19 15.570 11.735 13.260
135 HH11 ARG 19 1HH1 ARG 19 12.370 12.491 14.405
136 HH12 ARG 19 2HH1 ARG 19 12.930 13.286 15.839
137 HH21 ARG 19 1HH2 ARG 19 16.319 12.780 15.144
138 HH22 ARG 19 2HH2 ARG 19 15.176 13.451 16.258
139 H PHE 20 H PHE 20 16.570 11.380 8.811
140 HA PHE 20 HA PHE 20 16.012 10.147 6.392
141 HB2 PHE 20 2HB PHE 20 18.251 10.117 7.240
142 HB3 PHE 20 3HB PHE 20 17.754 9.250 8.689
143 HD1 PHE 20 HD2 PHE 20 18.329 8.960 5.068
144 HD2 PHE 20 HD1 PHE 20 17.508 6.887 8.694
145 HE1 PHE 20 HE2 PHE 20 18.836 6.824 3.957
146 HE2 PHE 20 HE1 PHE 20 18.014 4.747 7.589
147 HZ PHE 20 HZ PHE 20 18.678 4.714 5.218
148 H MET 21 H MET 21 15.235 8.110 5.807
149 HA MET 21 HA MET 21 13.911 6.525 7.881
150 HB2 MET 21 2HB MET 21 12.593 7.953 5.631
151 HB3 MET 21 3HB MET 21 12.016 6.334 6.004
152 HG2 MET 21 2HG MET 21 11.893 7.215 8.438
153 HG3 MET 21 3HG MET 21 11.929 8.803 7.675
154 HE1 MET 21 3HE MET 21 9.342 6.622 9.280
155 HE2 MET 21 1HE MET 21 8.521 5.845 7.926
156 HE3 MET 21 2HE MET 21 10.228 5.518 8.226
157 H ILE 22 H ILE 22 13.490 4.344 7.279
158 HA ILE 22 HA ILE 22 14.983 3.458 4.896
159 HB ILE 22 HB ILE 22 16.109 2.906 7.062
160 HG12 ILE 22 2HG1 ILE 22 15.207 0.362 5.744
161 HG13 ILE 22 3HG1 ILE 22 16.170 1.534 4.852
162 HG21 ILE 22 1HG2 ILE 22 13.523 2.158 7.822
163 HG22 ILE 22 2HG2 ILE 22 14.447 0.660 7.736
164 HG23 ILE 22 3HG2 ILE 22 15.008 1.984 8.757
165 HD11 ILE 22 3HD1 ILE 22 17.580 -0.185 5.788
166 HD12 ILE 22 1HD1 ILE 22 17.922 1.365 6.557
167 HD13 ILE 22 2HD1 ILE 22 16.960 0.152 7.404
168 H CYS 23 H CYS 23 14.219 1.568 3.835
169 HA CYS 23 HA CYS 23 11.342 1.127 4.232
170 HB2 CYS 23 2HB CYS 23 11.892 1.959 2.024
171 HB3 CYS 23 3HB CYS 23 13.094 0.692 1.806
172 HG CYS 23 HG CYS 23 9.697 0.323 1.873
173 H CYS 24 H CYS 24 10.669 -0.749 5.023
174 HA CYS 24 HA CYS 24 12.574 -2.974 5.167
175 HB2 CYS 24 2HB CYS 24 11.690 -2.316 7.311
176 HB3 CYS 24 3HB CYS 24 10.039 -2.400 6.708
177 H ASP 25 H ASP 25 12.364 -4.622 3.820
178 HA ASP 25 HA ASP 25 10.072 -4.855 2.103
179 HB2 ASP 25 2HB ASP 25 12.737 -6.137 2.320
180 HB3 ASP 25 3HB ASP 25 11.465 -7.101 1.574
181 H ARG 26 H ARG 26 11.148 -6.306 5.056
182 HA ARG 26 HA ARG 26 9.827 -8.740 5.036
183 HB2 ARG 26 2HB ARG 26 11.332 -7.440 6.852
184 HB3 ARG 26 3HB ARG 26 9.745 -7.210 7.573
185 HG2 ARG 26 2HG ARG 26 10.834 -9.896 6.771
186 HG3 ARG 26 3HG ARG 26 11.000 -9.208 8.387
187 HD2 ARG 26 2HD ARG 26 8.392 -8.911 8.157
188 HD3 ARG 26 3HD ARG 26 8.575 -10.216 6.986
189 HE ARG 26 HE ARG 26 9.910 -10.855 9.398
190 HH11 ARG 26 1HH1 ARG 26 6.729 -10.604 8.006
191 HH12 ARG 26 2HH1 ARG 26 6.030 -11.783 9.066
192 HH21 ARG 26 1HH2 ARG 26 9.002 -12.409 10.798
193 HH22 ARG 26 2HH2 ARG 26 7.324 -12.809 10.654
194 H CYS 27 H CYS 27 8.598 -5.690 6.427
195 HA CYS 27 HA CYS 27 5.880 -6.777 6.240
196 HB2 CYS 27 2HB CYS 27 5.280 -4.861 7.737
197 HB3 CYS 27 3HB CYS 27 6.427 -5.992 8.444
198 H GLU 28 H GLU 28 7.970 -4.799 4.562
199 HA GLU 28 HA GLU 28 7.710 -3.415 2.774
200 HB2 GLU 28 2HB GLU 28 5.874 -5.191 2.297
201 HB3 GLU 28 3HB GLU 28 4.753 -3.933 2.797
202 HG2 GLU 28 2HG GLU 28 4.775 -3.522 0.573
203 HG3 GLU 28 3HG GLU 28 6.140 -2.513 1.048
204 H GLU 29 H GLU 29 7.915 -2.118 5.080
205 HA GLU 29 HA GLU 29 6.075 0.139 4.738
206 HB2 GLU 29 2HB GLU 29 6.156 -1.609 7.008
207 HB3 GLU 29 3HB GLU 29 6.702 -0.011 7.497
208 HG2 GLU 29 2HG GLU 29 4.608 0.857 6.307
209 HG3 GLU 29 3HG GLU 29 4.060 -0.817 6.345
210 H TRP 30 H TRP 30 6.983 1.901 6.511
211 HA TRP 30 HA TRP 30 9.851 2.161 5.881
212 HB2 TRP 30 2HB TRP 30 7.631 4.180 5.877
213 HB3 TRP 30 3HB TRP 30 9.291 4.696 6.160
214 HD1 TRP 30 HD1 TRP 30 6.961 3.483 3.423
215 HE1 TRP 30 HE1 TRP 30 8.148 3.698 1.149
216 HE3 TRP 30 HE3 TRP 30 11.668 4.612 5.069
217 HZ2 TRP 30 HZ2 TRP 30 10.738 4.270 0.182
218 HZ3 TRP 30 HZ3 TRP 30 13.443 4.977 3.405
219 HH2 TRP 30 HH2 TRP 30 12.986 4.809 1.013
220 H PHE 31 H PHE 31 11.189 3.191 7.440
221 HA PHE 31 HA PHE 31 10.063 3.587 10.105
222 HB2 PHE 31 2HB PHE 31 12.312 1.664 9.486
223 HB3 PHE 31 3HB PHE 31 11.907 2.217 11.107
224 HD1 PHE 31 HD1 PHE 31 10.806 0.187 8.260
225 HD2 PHE 31 HD2 PHE 31 9.978 1.387 12.259
226 HE1 PHE 31 HE1 PHE 31 9.152 -1.624 8.457
227 HE2 PHE 31 HE2 PHE 31 8.324 -0.423 12.463
228 HZ PHE 31 HZ PHE 31 7.910 -1.932 10.561
229 H HIS 32 H HIS 32 11.871 4.381 11.632
230 HA HIS 32 HA HIS 32 13.391 6.423 10.171
231 HB2 HIS 32 2HB HIS 32 12.302 6.265 12.966
232 HB3 HIS 32 3HB HIS 32 13.600 7.389 12.576
233 HD2 HIS 32 HD2 HIS 32 12.577 8.730 9.872
234 HE1 HIS 32 HE1 HIS 32 8.901 9.357 11.895
235 HE2 HIS 32 HE2 HIS 32 10.299 9.956 9.888
236 H GLY 33 H GLY 33 15.547 6.372 10.094
237 HA2 GLY 33 2HA GLY 33 17.062 4.187 10.860
238 HA3 GLY 33 3HA GLY 33 17.723 5.782 10.532
239 H ASP 34 H ASP 34 16.189 7.006 12.732
240 HA ASP 34 HA ASP 34 18.113 6.551 14.806
241 HB2 ASP 34 2HB ASP 34 16.441 8.650 14.087
242 HB3 ASP 34 3HB ASP 34 15.767 8.078 15.611
243 H CYS 35 H CYS 35 14.678 5.839 14.358
244 HA CYS 35 HA CYS 35 14.232 4.794 16.947
245 HB2 CYS 35 2HB CYS 35 12.785 4.359 14.331
246 HB3 CYS 35 3HB CYS 35 12.221 3.717 15.869
247 H VAL 36 H VAL 36 15.086 3.271 13.864
248 HA VAL 36 HA VAL 36 15.156 0.629 15.022
249 HB VAL 36 HB VAL 36 16.088 -0.044 12.799
250 HG11 VAL 36 1HG1 VAL 36 13.620 0.111 13.401
251 HG12 VAL 36 2HG1 VAL 36 13.598 1.604 12.461
252 HG13 VAL 36 3HG1 VAL 36 14.022 0.078 11.685
253 HG21 VAL 36 3HG2 VAL 36 15.382 2.468 11.504
254 HG22 VAL 36 1HG2 VAL 36 16.770 2.613 12.583
255 HG23 VAL 36 2HG2 VAL 36 16.790 1.432 11.273
256 H GLY 37 H GLY 37 17.374 3.232 14.505
257 HA2 GLY 37 2HA GLY 37 19.414 3.305 15.778
258 HA3 GLY 37 3HA GLY 37 19.519 1.557 15.630
259 H ILE 38 H ILE 38 18.650 2.094 12.686
260 HA ILE 38 HA ILE 38 21.222 1.851 11.566
261 HB ILE 38 HB ILE 38 18.640 2.615 10.198
262 HG12 ILE 38 2HG1 ILE 38 18.605 0.439 11.425
263 HG13 ILE 38 3HG1 ILE 38 18.402 0.267 9.685
264 HG21 ILE 38 1HG2 ILE 38 20.042 1.373 8.295
265 HG22 ILE 38 2HG2 ILE 38 20.112 3.115 8.550
266 HG23 ILE 38 3HG2 ILE 38 21.375 2.076 9.209
267 HD11 ILE 38 3HD1 ILE 38 20.553 -0.596 9.408
268 HD12 ILE 38 1HD1 ILE 38 21.077 -0.038 10.996
269 HD13 ILE 38 2HD1 ILE 38 19.937 -1.378 10.864
270 H SER 39 H SER 39 22.646 3.300 10.812
271 HA SER 39 HA SER 39 22.131 6.107 11.298
272 HB2 SER 39 2HB SER 39 24.633 4.898 10.115
273 HB3 SER 39 3HB SER 39 24.469 6.443 10.948
274 HG SER 39 HG SER 39 24.978 4.024 11.980
275 H GLU 40 H GLU 40 22.515 7.763 9.703
276 HA GLU 40 HA GLU 40 21.078 7.470 7.366
277 HB2 GLU 40 2HB GLU 40 21.674 9.643 8.374
278 HB3 GLU 40 3HB GLU 40 23.341 9.412 7.865
279 HG2 GLU 40 2HG GLU 40 21.272 9.242 5.763
280 HG3 GLU 40 3HG GLU 40 21.570 10.830 6.467
281 H ALA 41 H ALA 41 24.509 6.957 7.933
282 HA ALA 41 HA ALA 41 25.162 6.599 5.164
283 HB1 ALA 41 1HB ALA 41 26.906 7.361 6.577
284 HB2 ALA 41 2HB ALA 41 26.669 6.025 7.705
285 HB3 ALA 41 3HB ALA 41 27.327 5.717 6.098
286 H ARG 42 H ARG 42 24.789 4.396 7.936
287 HA ARG 42 HA ARG 42 25.305 2.005 6.611
288 HB2 ARG 42 2HB ARG 42 25.075 2.272 9.077
289 HB3 ARG 42 3HB ARG 42 23.336 2.422 8.865
290 HG2 ARG 42 2HG ARG 42 23.440 0.216 9.359
291 HG3 ARG 42 3HG ARG 42 23.673 0.109 7.613
292 HD2 ARG 42 2HD ARG 42 26.215 0.418 8.336
293 HD3 ARG 42 3HD ARG 42 25.606 -0.307 9.824
294 HE ARG 42 HE ARG 42 24.722 -1.824 7.630
295 HH11 ARG 42 1HH1 ARG 42 27.641 -1.064 9.369
296 HH12 ARG 42 2HH1 ARG 42 28.412 -2.569 8.992
297 HH21 ARG 42 1HH2 ARG 42 25.727 -3.808 7.127
298 HH22 ARG 42 2HH2 ARG 42 27.323 -4.129 7.715
299 H GLY 43 H GLY 43 22.183 3.636 7.140
300 HA2 GLY 43 2HA GLY 43 20.562 1.755 5.854
301 HA3 GLY 43 3HA GLY 43 20.181 3.462 6.033
302 H ARG 44 H ARG 44 22.042 4.706 4.516
303 HA ARG 44 HA ARG 44 21.042 4.391 1.912
304 HB2 ARG 44 2HB ARG 44 22.989 6.084 3.264
305 HB3 ARG 44 3HB ARG 44 23.473 5.701 1.617
306 HG2 ARG 44 2HG ARG 44 20.808 6.865 2.397
307 HG3 ARG 44 3HG ARG 44 22.183 7.792 1.793
308 HD2 ARG 44 2HD ARG 44 21.565 5.538 0.082
309 HD3 ARG 44 3HD ARG 44 20.178 6.607 0.281
310 HE ARG 44 HE ARG 44 22.433 8.172 -0.262
311 HH11 ARG 44 1HH1 ARG 44 20.384 5.833 -1.827
312 HH12 ARG 44 2HH1 ARG 44 20.646 6.473 -3.415
313 HH21 ARG 44 1HH2 ARG 44 22.786 9.024 -2.348
314 HH22 ARG 44 2HH2 ARG 44 22.013 8.288 -3.711
315 H LEU 45 H LEU 45 23.692 2.894 3.564
316 HA LEU 45 HA LEU 45 25.202 2.074 1.323
317 HB2 LEU 45 2HB LEU 45 25.486 1.927 4.043
318 HB3 LEU 45 3HB LEU 45 25.208 0.243 3.604
319 HG LEU 45 HG LEU 45 27.162 1.352 1.838
320 HD11 LEU 45 1HD1 LEU 45 28.868 1.526 3.857
321 HD12 LEU 45 2HD1 LEU 45 27.427 2.096 4.697
322 HD13 LEU 45 3HD1 LEU 45 27.991 2.930 3.250
323 HD21 LEU 45 3HD2 LEU 45 26.620 -1.041 2.919
324 HD22 LEU 45 1HD2 LEU 45 27.939 -0.533 3.974
325 HD23 LEU 45 2HD2 LEU 45 28.189 -0.623 2.230
326 H LEU 46 H LEU 46 22.693 0.416 3.219
327 HA LEU 46 HA LEU 46 22.720 -1.963 1.686
328 HB2 LEU 46 2HB LEU 46 20.416 -0.857 3.277
329 HB3 LEU 46 3HB LEU 46 20.694 -2.539 2.831
330 HG LEU 46 HG LEU 46 22.296 -0.911 4.802
331 HD11 LEU 46 1HD1 LEU 46 20.258 -1.536 5.808
332 HD12 LEU 46 2HD1 LEU 46 21.447 -2.716 6.358
333 HD13 LEU 46 3HD1 LEU 46 20.304 -3.144 5.085
334 HD21 LEU 46 3HD2 LEU 46 23.962 -2.294 4.224
335 HD22 LEU 46 1HD2 LEU 46 22.883 -3.396 3.368
336 HD23 LEU 46 2HD2 LEU 46 23.051 -3.511 5.120
337 H GLU 47 H GLU 47 21.129 1.109 1.307
338 HA GLU 47 HA GLU 47 19.152 0.266 -0.553
339 HB2 GLU 47 2HB GLU 47 19.891 2.682 0.738
340 HB3 GLU 47 3HB GLU 47 19.883 2.997 -0.991
341 HG2 GLU 47 2HG GLU 47 17.622 2.444 -1.200
342 HG3 GLU 47 3HG GLU 47 17.587 1.632 0.364
343 H ARG 48 H ARG 48 22.413 1.591 -0.881
344 HA ARG 48 HA ARG 48 22.320 1.703 -3.739
345 HB2 ARG 48 2HB ARG 48 24.119 2.515 -1.661
346 HB3 ARG 48 3HB ARG 48 25.011 1.592 -2.863
347 HG2 ARG 48 2HG ARG 48 25.198 3.726 -3.683
348 HG3 ARG 48 3HG ARG 48 23.786 3.137 -4.561
349 HD2 ARG 48 2HD ARG 48 22.869 5.067 -3.838
350 HD3 ARG 48 3HD ARG 48 22.592 4.137 -2.366
351 HE ARG 48 HE ARG 48 24.114 5.462 -1.293
352 HH11 ARG 48 1HH1 ARG 48 24.522 5.827 -4.731
353 HH12 ARG 48 2HH1 ARG 48 25.664 7.122 -4.589
354 HH21 ARG 48 1HH2 ARG 48 25.617 7.166 -1.093
355 HH22 ARG 48 2HH2 ARG 48 26.287 7.882 -2.520
356 H ASN 49 H ASN 49 23.344 -0.644 -1.355
357 HA ASN 49 HA ASN 49 24.642 -2.348 -3.287
358 HB2 ASN 49 2HB ASN 49 24.163 -2.406 -0.353
359 HB3 ASN 49 3HB ASN 49 24.403 -3.955 -1.156
360 HD21 ASN 49 1HD2 ASN 49 26.039 -2.289 0.746
361 HD22 ASN 49 2HD2 ASN 49 27.596 -2.201 0.002
362 H GLY 50 H GLY 50 21.465 -1.927 -2.016
363 HA2 GLY 50 2HA GLY 50 19.498 -2.852 -2.852
364 HA3 GLY 50 3HA GLY 50 20.460 -3.976 -3.801
365 H GLU 51 H GLU 51 20.972 -3.581 -0.375
366 HA GLU 51 HA GLU 51 20.299 -6.375 0.031
367 HB2 GLU 51 2HB GLU 51 21.753 -4.284 1.579
368 HB3 GLU 51 3HB GLU 51 21.036 -5.618 2.472
369 HG2 GLU 51 2HG GLU 51 22.455 -6.636 0.208
370 HG3 GLU 51 3HG GLU 51 23.499 -5.558 1.133
371 H ASP 52 H ASP 52 18.358 -7.019 0.656
372 HA ASP 52 HA ASP 52 16.274 -5.246 1.341
373 HB2 ASP 52 2HB ASP 52 16.568 -8.239 1.506
374 HB3 ASP 52 3HB ASP 52 15.105 -7.424 2.053
375 H TYR 53 H TYR 53 16.630 -4.001 3.115
376 HA TYR 53 HA TYR 53 17.696 -5.056 5.555
377 HB2 TYR 53 2HB TYR 53 18.181 -2.783 5.174
378 HB3 TYR 53 3HB TYR 53 16.513 -2.405 4.760
379 HD1 TYR 53 HD1 TYR 53 14.845 -2.062 6.499
380 HD2 TYR 53 HD2 TYR 53 18.887 -2.946 7.490
381 HE1 TYR 53 HE1 TYR 53 14.426 -1.348 8.815
382 HE2 TYR 53 HE2 TYR 53 18.479 -2.237 9.809
383 HH TYR 53 HH TYR 53 16.952 -1.585 11.294
384 H ILE 54 H ILE 54 16.636 -5.383 7.515
385 HA ILE 54 HA ILE 54 13.696 -5.480 7.394
386 HB ILE 54 HB ILE 54 15.502 -7.586 8.589
387 HG12 ILE 54 2HG1 ILE 54 13.573 -7.677 6.258
388 HG13 ILE 54 3HG1 ILE 54 15.330 -7.726 6.151
389 HG21 ILE 54 1HG2 ILE 54 13.544 -7.237 9.981
390 HG22 ILE 54 2HG2 ILE 54 12.494 -7.389 8.574
391 HG23 ILE 54 3HG2 ILE 54 13.425 -8.778 9.133
392 HD11 ILE 54 3HD1 ILE 54 13.571 -9.806 7.428
393 HD12 ILE 54 1HD1 ILE 54 14.381 -9.933 5.867
394 HD13 ILE 54 2HD1 ILE 54 15.332 -9.856 7.351
395 H CYS 55 H CYS 55 12.980 -4.028 8.805
396 HA CYS 55 HA CYS 55 14.334 -2.787 10.832
397 HB2 CYS 55 2HB CYS 55 12.115 -2.268 11.820
398 HB3 CYS 55 3HB CYS 55 12.172 -1.994 10.083
399 HA PRO 56 HA PRO 56 14.860 -5.586 14.168
400 HB2 PRO 56 2HB PRO 56 14.560 -3.945 16.309
401 HB3 PRO 56 3HB PRO 56 15.980 -3.902 15.257
402 HG2 PRO 56 2HG PRO 56 13.571 -2.125 15.261
403 HG3 PRO 56 3HG PRO 56 15.281 -1.690 15.085
404 HD2 PRO 56 2HD PRO 56 13.600 -1.875 12.970
405 HD3 PRO 56 3HD PRO 56 15.328 -2.266 12.854
406 H ASN 57 H ASN 57 11.892 -4.081 13.585
407 HA ASN 57 HA ASN 57 10.493 -5.175 15.862
408 HB2 ASN 57 2HB ASN 57 9.987 -3.140 13.997
409 HB3 ASN 57 3HB ASN 57 8.763 -4.368 13.689
410 HD21 ASN 57 1HD2 ASN 57 8.192 -1.819 14.659
411 HD22 ASN 57 2HD2 ASN 57 7.568 -1.967 16.263
412 H CYS 58 H CYS 58 10.805 -5.885 12.413
413 HA CYS 58 HA CYS 58 8.967 -8.087 12.496
414 HB2 CYS 58 2HB CYS 58 10.910 -7.072 10.427
415 HB3 CYS 58 3HB CYS 58 9.993 -8.556 10.191
416 H THR 59 H THR 59 12.491 -7.738 12.424
417 HA THR 59 HA THR 59 13.260 -10.371 12.170
418 HB THR 59 HB THR 59 14.797 -8.383 12.276
419 HG1 THR 59 HG1 THR 59 16.036 -10.115 12.342
420 HG21 THR 59 3HG2 THR 59 14.790 -8.789 15.253
421 HG22 THR 59 1HG2 THR 59 13.751 -7.590 14.485
422 HG23 THR 59 2HG2 THR 59 15.503 -7.474 14.319
423 H ILE 60 H ILE 60 11.900 -8.750 14.944
424 HA ILE 60 HA ILE 60 12.112 -11.264 16.470
425 HB ILE 60 HB ILE 60 11.998 -9.952 18.526
426 HG12 ILE 60 2HG1 ILE 60 12.589 -7.351 17.821
427 HG13 ILE 60 3HG1 ILE 60 11.374 -7.807 16.631
428 HG21 ILE 60 1HG2 ILE 60 14.185 -8.509 17.235
429 HG22 ILE 60 2HG2 ILE 60 14.218 -9.677 18.555
430 HG23 ILE 60 3HG2 ILE 60 14.165 -10.236 16.883
431 HD11 ILE 60 3HD1 ILE 60 9.745 -7.643 18.122
432 HD12 ILE 60 1HD1 ILE 60 10.617 -8.635 19.291
433 HD13 ILE 60 2HD1 ILE 60 10.924 -6.900 19.202
434 H LEU 61 H LEU 61 10.026 -10.249 14.553
435 HA LEU 61 HA LEU 61 7.757 -11.188 15.926
436 HB2 LEU 61 2HB LEU 61 8.263 -8.665 16.698
437 HB3 LEU 61 3HB LEU 61 7.288 -8.346 15.265
438 HG LEU 61 HG LEU 61 5.484 -9.744 16.248
439 HD11 LEU 61 1HD1 LEU 61 6.690 -11.176 17.711
440 HD12 LEU 61 2HD1 LEU 61 5.646 -10.169 18.714
441 HD13 LEU 61 3HD1 LEU 61 7.368 -9.809 18.594
442 HD21 LEU 61 3HD2 LEU 61 5.961 -7.754 18.354
443 HD22 LEU 61 1HD2 LEU 61 4.601 -7.936 17.246
444 HD23 LEU 61 2HD2 LEU 61 6.078 -7.138 16.704
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -0.980 -0.410 -1.285
2 HA2 GLY 1 2HA GLY 1 -0.193 1.086 -3.425
3 HA3 GLY 1 3HA GLY 1 -0.630 1.791 -1.876
4 H SER 2 H SER 2 0.912 3.469 -2.494
5 HA SER 2 HA SER 2 3.698 2.650 -1.987
6 HB2 SER 2 2HB SER 2 4.016 3.586 -4.030
7 HB3 SER 2 3HB SER 2 2.506 4.495 -3.957
8 HG SER 2 HG SER 2 3.609 6.166 -3.351
9 H MET 3 H MET 3 5.037 4.197 -0.833
10 HA MET 3 HA MET 3 3.840 5.112 1.534
11 HB2 MET 3 2HB MET 3 6.160 4.545 1.556
12 HB3 MET 3 3HB MET 3 6.521 5.703 0.284
13 HG2 MET 3 2HG MET 3 5.302 6.902 2.646
14 HG3 MET 3 3HG MET 3 6.849 6.119 2.961
15 HE1 MET 3 3HE MET 3 9.045 6.733 2.003
16 HE2 MET 3 1HE MET 3 9.419 8.430 1.697
17 HE3 MET 3 2HE MET 3 8.720 7.946 3.242
18 H ASP 4 H ASP 4 3.008 7.027 2.152
19 HA ASP 4 HA ASP 4 3.137 9.257 0.230
20 HB2 ASP 4 2HB ASP 4 0.824 7.908 1.393
21 HB3 ASP 4 3HB ASP 4 0.793 9.650 1.652
22 HA PRO 5 HA PRO 5 4.488 11.887 3.469
23 HB2 PRO 5 2HB PRO 5 3.170 14.201 2.937
24 HB3 PRO 5 3HB PRO 5 4.504 13.604 1.942
25 HG2 PRO 5 2HG PRO 5 1.554 13.395 1.478
26 HG3 PRO 5 3HG PRO 5 2.843 13.787 0.325
27 HD2 PRO 5 2HD PRO 5 1.733 11.322 0.487
28 HD3 PRO 5 3HD PRO 5 3.432 11.578 0.039
29 H ASN 6 H ASN 6 0.978 11.851 2.976
30 HA ASN 6 HA ASN 6 0.537 12.633 5.753
31 HB2 ASN 6 2HB ASN 6 -1.615 12.000 3.744
32 HB3 ASN 6 3HB ASN 6 -1.716 13.028 5.170
33 HD21 ASN 6 1HD2 ASN 6 -1.927 13.245 2.047
34 HD22 ASN 6 2HD2 ASN 6 -1.139 14.751 1.737
35 H ALA 7 H ALA 7 1.775 10.160 5.466
36 HA ALA 7 HA ALA 7 -0.341 8.371 6.453
37 HB1 ALA 7 1HB ALA 7 1.840 7.693 4.494
38 HB2 ALA 7 2HB ALA 7 0.925 6.475 5.383
39 HB3 ALA 7 3HB ALA 7 0.095 7.561 4.269
40 H LEU 8 H LEU 8 0.613 6.484 7.687
41 HA LEU 8 HA LEU 8 3.046 7.298 9.130
42 HB2 LEU 8 2HB LEU 8 0.520 6.156 10.314
43 HB3 LEU 8 3HB LEU 8 2.022 6.420 11.198
44 HG LEU 8 HG LEU 8 0.263 8.551 9.986
45 HD11 LEU 8 1HD1 LEU 8 -0.881 8.151 11.880
46 HD12 LEU 8 2HD1 LEU 8 0.416 9.085 12.626
47 HD13 LEU 8 3HD1 LEU 8 0.472 7.322 12.651
48 HD21 LEU 8 3HD2 LEU 8 2.023 9.897 10.055
49 HD22 LEU 8 1HD2 LEU 8 3.036 8.586 10.660
50 HD23 LEU 8 2HD2 LEU 8 2.154 9.612 11.791
51 H TYR 9 H TYR 9 4.408 5.658 9.813
52 HA TYR 9 HA TYR 9 3.658 2.893 9.265
53 HB2 TYR 9 2HB TYR 9 6.250 3.960 8.163
54 HB3 TYR 9 3HB TYR 9 5.455 2.431 7.804
55 HD1 TYR 9 HD2 TYR 9 3.436 2.400 6.360
56 HD2 TYR 9 HD1 TYR 9 5.690 5.955 6.979
57 HE1 TYR 9 HE2 TYR 9 2.367 3.414 4.391
58 HE2 TYR 9 HE1 TYR 9 4.626 6.979 5.013
59 HH TYR 9 HH TYR 9 1.987 5.406 3.324
60 H CYS 10 H CYS 10 6.455 4.925 10.152
61 HA CYS 10 HA CYS 10 7.856 3.123 11.676
62 HB2 CYS 10 2HB CYS 10 8.573 5.454 11.079
63 HB3 CYS 10 3HB CYS 10 7.531 6.048 12.366
64 H ILE 11 H ILE 11 8.036 2.810 13.976
65 HA ILE 11 HA ILE 11 5.651 2.126 15.225
66 HB ILE 11 HB ILE 11 6.989 2.022 17.339
67 HG12 ILE 11 2HG1 ILE 11 9.199 3.015 15.526
68 HG13 ILE 11 3HG1 ILE 11 8.511 3.886 16.892
69 HG21 ILE 11 1HG2 ILE 11 7.710 -0.002 16.717
70 HG22 ILE 11 2HG2 ILE 11 7.039 0.399 15.137
71 HG23 ILE 11 3HG2 ILE 11 8.754 0.656 15.457
72 HD11 ILE 11 3HD1 ILE 11 9.997 1.277 17.071
73 HD12 ILE 11 1HD1 ILE 11 10.676 2.868 17.412
74 HD13 ILE 11 2HD1 ILE 11 9.378 2.229 18.420
75 H CYS 12 H CYS 12 7.505 5.109 15.367
76 HA CYS 12 HA CYS 12 5.994 6.260 17.501
77 HB2 CYS 12 2HB CYS 12 7.177 8.324 16.965
78 HB3 CYS 12 3HB CYS 12 8.299 6.969 16.986
79 H ARG 13 H ARG 13 5.357 5.728 14.232
80 HA ARG 13 HA ARG 13 3.678 6.360 12.834
81 HB2 ARG 13 2HB ARG 13 2.575 6.885 15.541
82 HB3 ARG 13 3HB ARG 13 1.725 7.608 14.182
83 HG2 ARG 13 2HG ARG 13 0.645 5.579 14.493
84 HG3 ARG 13 3HG ARG 13 1.761 5.254 13.164
85 HD2 ARG 13 2HD ARG 13 3.317 4.195 14.668
86 HD3 ARG 13 3HD ARG 13 2.331 4.641 16.060
87 HE ARG 13 HE ARG 13 0.782 3.110 14.286
88 HH11 ARG 13 1HH1 ARG 13 3.467 2.782 16.478
89 HH12 ARG 13 2HH1 ARG 13 3.147 1.115 16.827
90 HH21 ARG 13 1HH2 ARG 13 0.350 0.917 14.738
91 HH22 ARG 13 2HH2 ARG 13 1.374 0.055 15.836
92 H GLN 14 H GLN 14 5.426 7.909 12.125
93 HA GLN 14 HA GLN 14 4.345 10.632 12.227
94 HB2 GLN 14 2HB GLN 14 7.091 9.749 12.977
95 HB3 GLN 14 3HB GLN 14 6.919 11.278 12.127
96 HG2 GLN 14 2HG GLN 14 4.988 11.283 14.166
97 HG3 GLN 14 3HG GLN 14 6.480 10.680 14.885
98 HE21 GLN 14 1HE2 GLN 14 8.421 12.032 13.675
99 HE22 GLN 14 2HE2 GLN 14 8.263 13.732 13.935
100 HA PRO 15 HA PRO 15 4.953 10.725 7.885
101 HB2 PRO 15 2HB PRO 15 5.697 13.301 7.457
102 HB3 PRO 15 3HB PRO 15 4.050 12.838 7.901
103 HG2 PRO 15 2HG PRO 15 6.248 13.906 9.629
104 HG3 PRO 15 3HG PRO 15 4.527 14.334 9.616
105 HD2 PRO 15 2HD PRO 15 5.596 12.649 11.447
106 HD3 PRO 15 3HD PRO 15 3.930 12.485 10.857
107 H HIS 16 H HIS 16 6.500 10.674 6.237
108 HA HIS 16 HA HIS 16 9.197 10.210 7.124
109 HB2 HIS 16 2HB HIS 16 9.604 9.328 4.988
110 HB3 HIS 16 3HB HIS 16 7.914 8.934 5.289
111 HD1 HIS 16 HD1 HIS 16 10.104 10.603 2.904
112 HD2 HIS 16 HD2 HIS 16 6.072 10.728 3.901
113 HE1 HIS 16 HE1 HIS 16 8.966 11.731 0.965
114 H ASN 17 H ASN 17 7.540 12.959 6.385
115 HA ASN 17 HA ASN 17 9.696 14.317 4.989
116 HB2 ASN 17 2HB ASN 17 8.102 16.316 5.266
117 HB3 ASN 17 3HB ASN 17 7.579 14.999 4.221
118 HD21 ASN 17 1HD2 ASN 17 7.432 15.968 7.631
119 HD22 ASN 17 2HD2 ASN 17 5.791 15.485 7.873
120 H ASN 18 H ASN 18 10.526 13.366 7.445
121 HA ASN 18 HA ASN 18 10.918 15.875 8.932
122 HB2 ASN 18 2HB ASN 18 10.239 13.145 9.996
123 HB3 ASN 18 3HB ASN 18 11.107 14.310 10.992
124 HD21 ASN 18 1HD2 ASN 18 9.533 14.681 12.467
125 HD22 ASN 18 2HD2 ASN 18 8.020 15.428 12.095
126 H ARG 19 H ARG 19 12.197 12.616 9.471
127 HA ARG 19 HA ARG 19 14.884 13.647 8.841
128 HB2 ARG 19 2HB ARG 19 15.760 12.159 10.616
129 HB3 ARG 19 3HB ARG 19 14.685 13.402 11.240
130 HG2 ARG 19 2HG ARG 19 13.236 10.992 10.585
131 HG3 ARG 19 3HG ARG 19 14.546 10.677 11.724
132 HD2 ARG 19 2HD ARG 19 12.763 13.023 12.176
133 HD3 ARG 19 3HD ARG 19 12.167 11.410 12.564
134 HE ARG 19 HE ARG 19 14.708 11.744 13.707
135 HH11 ARG 19 1HH1 ARG 19 11.444 12.907 14.047
136 HH12 ARG 19 2HH1 ARG 19 11.597 13.230 15.742
137 HH21 ARG 19 1HH2 ARG 19 14.922 12.165 15.939
138 HH22 ARG 19 2HH2 ARG 19 13.576 12.809 16.817
139 H PHE 20 H PHE 20 16.408 11.494 8.863
140 HA PHE 20 HA PHE 20 15.971 10.226 6.453
141 HB2 PHE 20 2HB PHE 20 18.155 10.216 7.494
142 HB3 PHE 20 3HB PHE 20 17.550 9.264 8.845
143 HD1 PHE 20 HD2 PHE 20 17.000 6.892 8.543
144 HD2 PHE 20 HD1 PHE 20 18.733 9.202 5.416
145 HE1 PHE 20 HE2 PHE 20 17.607 4.824 7.356
146 HE2 PHE 20 HE1 PHE 20 19.342 7.138 4.224
147 HZ PHE 20 HZ PHE 20 18.781 4.945 5.195
148 H MET 21 H MET 21 15.213 8.192 5.835
149 HA MET 21 HA MET 21 13.810 6.586 7.829
150 HB2 MET 21 2HB MET 21 12.533 8.084 5.594
151 HB3 MET 21 3HB MET 21 11.922 6.474 5.954
152 HG2 MET 21 2HG MET 21 11.964 7.498 8.429
153 HG3 MET 21 3HG MET 21 11.715 8.974 7.499
154 HE1 MET 21 3HE MET 21 10.547 5.460 8.342
155 HE2 MET 21 1HE MET 21 9.712 6.507 9.490
156 HE3 MET 21 2HE MET 21 8.789 5.600 8.292
157 H ILE 22 H ILE 22 13.620 4.423 7.301
158 HA ILE 22 HA ILE 22 15.031 3.603 4.847
159 HB ILE 22 HB ILE 22 16.149 3.013 7.014
160 HG12 ILE 22 2HG1 ILE 22 15.285 0.513 5.581
161 HG13 ILE 22 3HG1 ILE 22 16.284 1.718 4.776
162 HG21 ILE 22 1HG2 ILE 22 14.507 0.724 7.598
163 HG22 ILE 22 2HG2 ILE 22 15.052 2.016 8.667
164 HG23 ILE 22 3HG2 ILE 22 13.570 2.212 7.731
165 HD11 ILE 22 3HD1 ILE 22 17.638 -0.066 5.696
166 HD12 ILE 22 1HD1 ILE 22 17.983 1.460 6.510
167 HD13 ILE 22 2HD1 ILE 22 16.982 0.243 7.303
168 H CYS 23 H CYS 23 14.284 1.726 3.746
169 HA CYS 23 HA CYS 23 11.404 1.280 4.102
170 HB2 CYS 23 2HB CYS 23 11.947 2.089 1.905
171 HB3 CYS 23 3HB CYS 23 13.217 0.886 1.718
172 HG CYS 23 HG CYS 23 9.852 0.475 1.498
173 H CYS 24 H CYS 24 10.691 -0.602 4.849
174 HA CYS 24 HA CYS 24 12.586 -2.837 5.030
175 HB2 CYS 24 2HB CYS 24 11.707 -2.173 7.172
176 HB3 CYS 24 3HB CYS 24 10.056 -2.228 6.566
177 H ASP 25 H ASP 25 12.369 -4.465 3.660
178 HA ASP 25 HA ASP 25 10.070 -4.684 1.954
179 HB2 ASP 25 2HB ASP 25 12.728 -5.985 2.161
180 HB3 ASP 25 3HB ASP 25 11.448 -6.933 1.407
181 H ARG 26 H ARG 26 11.135 -6.137 4.906
182 HA ARG 26 HA ARG 26 9.815 -8.573 4.884
183 HB2 ARG 26 2HB ARG 26 11.326 -7.315 6.697
184 HB3 ARG 26 3HB ARG 26 9.748 -6.996 7.404
185 HG2 ARG 26 2HG ARG 26 10.777 -9.735 6.696
186 HG3 ARG 26 3HG ARG 26 10.854 -9.014 8.305
187 HD2 ARG 26 2HD ARG 26 8.375 -8.779 8.244
188 HD3 ARG 26 3HD ARG 26 8.374 -9.662 6.718
189 HE ARG 26 HE ARG 26 9.708 -11.073 8.824
190 HH11 ARG 26 1HH1 ARG 26 6.611 -10.362 7.400
191 HH12 ARG 26 2HH1 ARG 26 5.861 -11.806 7.995
192 HH21 ARG 26 1HH2 ARG 26 8.731 -12.977 9.613
193 HH22 ARG 26 2HH2 ARG 26 7.067 -13.292 9.254
194 H CYS 27 H CYS 27 8.568 -5.626 6.467
195 HA CYS 27 HA CYS 27 5.857 -6.681 6.184
196 HB2 CYS 27 2HB CYS 27 5.244 -4.804 7.717
197 HB3 CYS 27 3HB CYS 27 6.411 -5.928 8.402
198 H GLU 28 H GLU 28 7.938 -4.681 4.530
199 HA GLU 28 HA GLU 28 7.667 -3.285 2.752
200 HB2 GLU 28 2HB GLU 28 5.819 -5.022 2.256
201 HB3 GLU 28 3HB GLU 28 4.705 -3.792 2.835
202 HG2 GLU 28 2HG GLU 28 4.652 -3.263 0.646
203 HG3 GLU 28 3HG GLU 28 6.067 -2.312 1.093
204 H GLU 29 H GLU 29 7.919 -2.027 5.084
205 HA GLU 29 HA GLU 29 6.120 0.269 4.786
206 HB2 GLU 29 2HB GLU 29 6.143 -1.515 7.011
207 HB3 GLU 29 3HB GLU 29 6.787 0.032 7.543
208 HG2 GLU 29 2HG GLU 29 4.657 0.599 7.850
209 HG3 GLU 29 3HG GLU 29 4.612 0.806 6.100
210 H TRP 30 H TRP 30 7.102 1.929 6.680
211 HA TRP 30 HA TRP 30 9.954 2.177 5.976
212 HB2 TRP 30 2HB TRP 30 7.790 4.259 6.147
213 HB3 TRP 30 3HB TRP 30 9.486 4.699 6.322
214 HD1 TRP 30 HD1 TRP 30 6.945 3.536 3.728
215 HE1 TRP 30 HE1 TRP 30 7.965 3.817 1.382
216 HE3 TRP 30 HE3 TRP 30 11.736 4.722 5.063
217 HZ2 TRP 30 HZ2 TRP 30 10.469 4.456 0.247
218 HZ3 TRP 30 HZ3 TRP 30 13.382 5.153 3.286
219 HH2 TRP 30 HH2 TRP 30 12.761 5.021 0.929
220 H PHE 31 H PHE 31 11.341 3.127 7.545
221 HA PHE 31 HA PHE 31 10.296 3.513 10.232
222 HB2 PHE 31 2HB PHE 31 12.397 1.432 9.593
223 HB3 PHE 31 3HB PHE 31 11.957 1.953 11.216
224 HD1 PHE 31 HD1 PHE 31 10.847 0.112 8.246
225 HD2 PHE 31 HD2 PHE 31 9.932 1.213 12.254
226 HE1 PHE 31 HE1 PHE 31 9.068 -1.587 8.302
227 HE2 PHE 31 HE2 PHE 31 8.152 -0.485 12.317
228 HZ PHE 31 HZ PHE 31 7.719 -1.888 10.340
229 H HIS 32 H HIS 32 11.306 5.141 11.221
230 HA HIS 32 HA HIS 32 13.237 6.704 9.936
231 HB2 HIS 32 2HB HIS 32 12.294 6.592 12.795
232 HB3 HIS 32 3HB HIS 32 13.518 7.742 12.265
233 HD2 HIS 32 HD2 HIS 32 12.380 9.213 9.811
234 HE1 HIS 32 HE1 HIS 32 8.608 9.339 11.749
235 HE2 HIS 32 HE2 HIS 32 10.003 10.230 9.850
236 H GLY 33 H GLY 33 15.392 6.609 9.821
237 HA2 GLY 33 2HA GLY 33 16.868 4.385 10.548
238 HA3 GLY 33 3HA GLY 33 17.562 5.965 10.214
239 H ASP 34 H ASP 34 16.030 7.161 12.474
240 HA ASP 34 HA ASP 34 18.012 6.716 14.493
241 HB2 ASP 34 2HB ASP 34 15.516 8.408 14.387
242 HB3 ASP 34 3HB ASP 34 16.534 8.314 15.822
243 H CYS 35 H CYS 35 14.500 6.156 14.316
244 HA CYS 35 HA CYS 35 14.192 4.983 16.828
245 HB2 CYS 35 2HB CYS 35 12.644 4.465 14.281
246 HB3 CYS 35 3HB CYS 35 12.128 3.970 15.889
247 H VAL 36 H VAL 36 15.049 3.549 13.716
248 HA VAL 36 HA VAL 36 15.130 0.872 14.802
249 HB VAL 36 HB VAL 36 16.052 0.261 12.559
250 HG11 VAL 36 1HG1 VAL 36 13.973 0.588 11.368
251 HG12 VAL 36 2HG1 VAL 36 13.634 0.234 13.064
252 HG13 VAL 36 3HG1 VAL 36 13.515 1.890 12.466
253 HG21 VAL 36 3HG2 VAL 36 15.338 2.748 11.269
254 HG22 VAL 36 1HG2 VAL 36 16.658 2.971 12.417
255 HG23 VAL 36 2HG2 VAL 36 16.808 1.785 11.121
256 H GLY 37 H GLY 37 17.332 3.501 14.305
257 HA2 GLY 37 2HA GLY 37 19.385 3.592 15.541
258 HA3 GLY 37 3HA GLY 37 19.482 1.841 15.436
259 H ILE 38 H ILE 38 18.607 2.293 12.485
260 HA ILE 38 HA ILE 38 21.144 1.978 11.342
261 HB ILE 38 HB ILE 38 18.562 2.826 10.025
262 HG12 ILE 38 2HG1 ILE 38 18.445 0.639 11.134
263 HG13 ILE 38 3HG1 ILE 38 18.395 0.461 9.383
264 HG21 ILE 38 1HG2 ILE 38 21.269 2.456 8.978
265 HG22 ILE 38 2HG2 ILE 38 20.029 1.553 8.110
266 HG23 ILE 38 3HG2 ILE 38 19.887 3.302 8.281
267 HD11 ILE 38 3HD1 ILE 38 21.104 0.323 10.219
268 HD12 ILE 38 1HD1 ILE 38 20.145 -0.760 11.227
269 HD13 ILE 38 2HD1 ILE 38 20.108 -0.925 9.471
270 H SER 39 H SER 39 22.628 3.360 10.576
271 HA SER 39 HA SER 39 22.254 6.186 11.072
272 HB2 SER 39 2HB SER 39 24.700 5.064 9.754
273 HB3 SER 39 3HB SER 39 24.562 6.393 10.905
274 HG SER 39 HG SER 39 24.522 5.003 12.538
275 H GLU 40 H GLU 40 22.920 7.796 9.423
276 HA GLU 40 HA GLU 40 21.369 7.569 7.103
277 HB2 GLU 40 2HB GLU 40 22.013 9.720 8.129
278 HB3 GLU 40 3HB GLU 40 23.676 9.451 7.627
279 HG2 GLU 40 2HG GLU 40 22.467 9.206 5.256
280 HG3 GLU 40 3HG GLU 40 21.328 10.291 6.051
281 H ALA 41 H ALA 41 24.834 7.118 7.633
282 HA ALA 41 HA ALA 41 25.423 6.666 4.866
283 HB1 ALA 41 1HB ALA 41 27.585 5.675 6.012
284 HB2 ALA 41 2HB ALA 41 27.296 7.413 5.937
285 HB3 ALA 41 3HB ALA 41 26.941 6.524 7.418
286 H ARG 42 H ARG 42 24.601 4.664 7.620
287 HA ARG 42 HA ARG 42 25.347 2.179 6.458
288 HB2 ARG 42 2HB ARG 42 24.956 2.680 8.927
289 HB3 ARG 42 3HB ARG 42 23.236 2.572 8.574
290 HG2 ARG 42 2HG ARG 42 23.313 0.373 8.780
291 HG3 ARG 42 3HG ARG 42 24.521 0.275 7.497
292 HD2 ARG 42 2HD ARG 42 26.267 0.785 9.204
293 HD3 ARG 42 3HD ARG 42 25.017 0.677 10.443
294 HE ARG 42 HE ARG 42 24.947 -1.675 8.945
295 HH11 ARG 42 1HH1 ARG 42 27.088 -0.006 11.124
296 HH12 ARG 42 2HH1 ARG 42 27.830 -1.457 11.714
297 HH21 ARG 42 1HH2 ARG 42 25.916 -3.592 9.713
298 HH22 ARG 42 2HH2 ARG 42 27.163 -3.496 10.910
299 H GLY 43 H GLY 43 22.206 3.820 6.834
300 HA2 GLY 43 2HA GLY 43 20.636 1.887 5.557
301 HA3 GLY 43 3HA GLY 43 20.235 3.594 5.681
302 H ARG 44 H ARG 44 22.558 4.512 4.221
303 HA ARG 44 HA ARG 44 21.496 4.289 1.579
304 HB2 ARG 44 2HB ARG 44 22.593 6.341 2.502
305 HB3 ARG 44 3HB ARG 44 24.132 5.493 2.435
306 HG2 ARG 44 2HG ARG 44 24.392 6.105 0.328
307 HG3 ARG 44 3HG ARG 44 22.893 5.285 -0.112
308 HD2 ARG 44 2HD ARG 44 21.634 7.207 0.060
309 HD3 ARG 44 3HD ARG 44 22.765 7.972 1.175
310 HE ARG 44 HE ARG 44 24.104 7.688 -1.226
311 HH11 ARG 44 1HH1 ARG 44 21.265 9.328 -0.055
312 HH12 ARG 44 2HH1 ARG 44 21.381 10.622 -1.200
313 HH21 ARG 44 1HH2 ARG 44 24.267 9.387 -2.740
314 HH22 ARG 44 2HH2 ARG 44 23.088 10.654 -2.728
315 H LEU 45 H LEU 45 24.048 2.729 3.350
316 HA LEU 45 HA LEU 45 25.518 1.728 1.150
317 HB2 LEU 45 2HB LEU 45 26.347 1.849 3.483
318 HB3 LEU 45 3HB LEU 45 25.244 0.543 3.908
319 HG LEU 45 HG LEU 45 26.943 -0.212 1.696
320 HD11 LEU 45 1HD1 LEU 45 29.037 -0.336 3.034
321 HD12 LEU 45 2HD1 LEU 45 28.285 0.723 4.226
322 HD13 LEU 45 3HD1 LEU 45 28.568 1.303 2.584
323 HD21 LEU 45 3HD2 LEU 45 25.650 -1.735 3.134
324 HD22 LEU 45 1HD2 LEU 45 26.672 -1.290 4.500
325 HD23 LEU 45 2HD2 LEU 45 27.370 -2.129 3.115
326 H LEU 46 H LEU 46 22.854 0.399 3.067
327 HA LEU 46 HA LEU 46 22.798 -2.137 1.829
328 HB2 LEU 46 2HB LEU 46 20.397 -0.750 2.977
329 HB3 LEU 46 3HB LEU 46 20.739 -2.478 2.917
330 HG LEU 46 HG LEU 46 22.058 -0.428 4.693
331 HD11 LEU 46 1HD1 LEU 46 19.839 -1.074 5.426
332 HD12 LEU 46 2HD1 LEU 46 21.061 -1.765 6.493
333 HD13 LEU 46 3HD1 LEU 46 20.267 -2.780 5.289
334 HD21 LEU 46 3HD2 LEU 46 22.825 -3.188 3.939
335 HD22 LEU 46 1HD2 LEU 46 22.954 -2.751 5.643
336 HD23 LEU 46 2HD2 LEU 46 23.829 -1.821 4.426
337 H GLU 47 H GLU 47 21.432 0.960 0.972
338 HA GLU 47 HA GLU 47 19.631 -0.042 -1.007
339 HB2 GLU 47 2HB GLU 47 20.151 2.443 0.208
340 HB3 GLU 47 3HB GLU 47 20.448 2.676 -1.509
341 HG2 GLU 47 2HG GLU 47 18.004 1.194 -0.967
342 HG3 GLU 47 3HG GLU 47 18.013 2.807 -0.256
343 H ARG 48 H ARG 48 22.940 1.157 -1.019
344 HA ARG 48 HA ARG 48 23.191 1.198 -3.865
345 HB2 ARG 48 2HB ARG 48 25.249 1.236 -1.655
346 HB3 ARG 48 3HB ARG 48 25.646 1.391 -3.361
347 HG2 ARG 48 2HG ARG 48 23.838 3.260 -1.846
348 HG3 ARG 48 3HG ARG 48 25.547 3.551 -2.177
349 HD2 ARG 48 2HD ARG 48 23.337 3.235 -4.204
350 HD3 ARG 48 3HD ARG 48 24.192 4.723 -3.798
351 HE ARG 48 HE ARG 48 25.087 2.640 -5.550
352 HH11 ARG 48 1HH1 ARG 48 26.112 5.192 -3.417
353 HH12 ARG 48 2HH1 ARG 48 27.641 5.412 -4.202
354 HH21 ARG 48 1HH2 ARG 48 27.097 2.919 -6.593
355 HH22 ARG 48 2HH2 ARG 48 28.199 4.119 -6.009
356 H ASN 49 H ASN 49 23.712 -1.174 -1.356
357 HA ASN 49 HA ASN 49 25.052 -3.010 -3.166
358 HB2 ASN 49 2HB ASN 49 24.377 -3.037 -0.242
359 HB3 ASN 49 3HB ASN 49 24.808 -4.537 -1.058
360 HD21 ASN 49 1HD2 ASN 49 26.154 -2.881 1.030
361 HD22 ASN 49 2HD2 ASN 49 27.750 -2.621 0.422
362 H GLY 50 H GLY 50 21.875 -2.346 -2.003
363 HA2 GLY 50 2HA GLY 50 19.871 -3.190 -2.824
364 HA3 GLY 50 3HA GLY 50 20.782 -4.378 -3.745
365 H GLU 51 H GLU 51 21.237 -3.935 -0.310
366 HA GLU 51 HA GLU 51 20.402 -6.689 0.124
367 HB2 GLU 51 2HB GLU 51 21.686 -4.688 1.992
368 HB3 GLU 51 3HB GLU 51 21.351 -6.368 2.389
369 HG2 GLU 51 2HG GLU 51 22.934 -5.923 -0.051
370 HG3 GLU 51 3HG GLU 51 23.713 -5.480 1.467
371 H ASP 52 H ASP 52 18.297 -7.007 0.433
372 HA ASP 52 HA ASP 52 16.402 -5.140 1.199
373 HB2 ASP 52 2HB ASP 52 15.053 -7.210 1.919
374 HB3 ASP 52 3HB ASP 52 15.576 -7.119 0.239
375 H TYR 53 H TYR 53 16.670 -3.918 2.976
376 HA TYR 53 HA TYR 53 17.713 -4.962 5.433
377 HB2 TYR 53 2HB TYR 53 18.213 -2.693 5.032
378 HB3 TYR 53 3HB TYR 53 16.547 -2.309 4.614
379 HD1 TYR 53 HD1 TYR 53 14.876 -1.957 6.352
380 HD2 TYR 53 HD2 TYR 53 18.918 -2.839 7.347
381 HE1 TYR 53 HE1 TYR 53 14.459 -1.229 8.664
382 HE2 TYR 53 HE2 TYR 53 18.511 -2.114 9.662
383 HH TYR 53 HH TYR 53 17.068 -1.028 11.025
384 H ILE 54 H ILE 54 16.633 -5.277 7.381
385 HA ILE 54 HA ILE 54 13.694 -5.347 7.240
386 HB ILE 54 HB ILE 54 15.473 -7.472 8.439
387 HG12 ILE 54 2HG1 ILE 54 13.543 -7.537 6.109
388 HG13 ILE 54 3HG1 ILE 54 15.299 -7.615 6.004
389 HG21 ILE 54 1HG2 ILE 54 12.467 -7.243 8.427
390 HG22 ILE 54 2HG2 ILE 54 13.385 -8.641 8.984
391 HG23 ILE 54 3HG2 ILE 54 13.521 -7.102 9.834
392 HD11 ILE 54 3HD1 ILE 54 13.503 -9.666 7.277
393 HD12 ILE 54 1HD1 ILE 54 14.317 -9.806 5.719
394 HD13 ILE 54 2HD1 ILE 54 15.263 -9.744 7.206
395 H CYS 55 H CYS 55 12.974 -3.899 8.652
396 HA CYS 55 HA CYS 55 14.320 -2.657 10.680
397 HB2 CYS 55 2HB CYS 55 12.112 -2.125 11.659
398 HB3 CYS 55 3HB CYS 55 12.143 -1.892 9.916
399 HA PRO 56 HA PRO 56 14.858 -5.446 14.021
400 HB2 PRO 56 2HB PRO 56 14.532 -3.808 16.162
401 HB3 PRO 56 3HB PRO 56 15.956 -3.750 15.115
402 HG2 PRO 56 2HG PRO 56 13.528 -1.998 15.110
403 HG3 PRO 56 3HG PRO 56 15.235 -1.546 14.941
404 HD2 PRO 56 2HD PRO 56 13.564 -1.748 12.819
405 HD3 PRO 56 3HD PRO 56 15.296 -2.121 12.710
406 H ASN 57 H ASN 57 11.877 -3.991 13.411
407 HA ASN 57 HA ASN 57 10.475 -5.077 15.690
408 HB2 ASN 57 2HB ASN 57 9.954 -3.070 13.808
409 HB3 ASN 57 3HB ASN 57 8.763 -4.325 13.476
410 HD21 ASN 57 1HD2 ASN 57 8.111 -1.790 14.423
411 HD22 ASN 57 2HD2 ASN 57 7.457 -1.946 16.014
412 H CYS 58 H CYS 58 10.802 -5.821 12.246
413 HA CYS 58 HA CYS 58 9.016 -8.064 12.363
414 HB2 CYS 58 2HB CYS 58 10.946 -7.078 10.262
415 HB3 CYS 58 3HB CYS 58 9.972 -8.528 10.054
416 H THR 59 H THR 59 12.528 -7.627 12.275
417 HA THR 59 HA THR 59 13.369 -10.236 12.029
418 HB THR 59 HB THR 59 14.839 -8.188 12.147
419 HG1 THR 59 HG1 THR 59 16.421 -9.570 12.436
420 HG21 THR 59 3HG2 THR 59 15.548 -7.314 14.209
421 HG22 THR 59 1HG2 THR 59 14.858 -8.659 15.116
422 HG23 THR 59 2HG2 THR 59 13.799 -7.461 14.372
423 H ILE 60 H ILE 60 11.957 -8.653 14.797
424 HA ILE 60 HA ILE 60 12.405 -11.062 16.424
425 HB ILE 60 HB ILE 60 11.850 -9.708 18.371
426 HG12 ILE 60 2HG1 ILE 60 11.868 -7.091 17.677
427 HG13 ILE 60 3HG1 ILE 60 11.045 -7.774 16.280
428 HG21 ILE 60 1HG2 ILE 60 14.153 -9.573 16.900
429 HG22 ILE 60 2HG2 ILE 60 13.764 -7.872 17.152
430 HG23 ILE 60 3HG2 ILE 60 13.947 -8.948 18.537
431 HD11 ILE 60 3HD1 ILE 60 9.621 -8.977 18.133
432 HD12 ILE 60 1HD1 ILE 60 10.173 -7.618 19.111
433 HD13 ILE 60 2HD1 ILE 60 9.267 -7.326 17.625
434 H LEU 61 H LEU 61 9.991 -9.152 14.859
435 HA LEU 61 HA LEU 61 7.909 -10.915 15.970
436 HB2 LEU 61 2HB LEU 61 7.879 -8.447 16.670
437 HB3 LEU 61 3HB LEU 61 7.379 -8.121 15.012
438 HG LEU 61 HG LEU 61 5.426 -9.671 15.428
439 HD11 LEU 61 1HD1 LEU 61 6.751 -10.432 17.642
440 HD12 LEU 61 2HD1 LEU 61 5.005 -10.580 17.445
441 HD13 LEU 61 3HD1 LEU 61 5.680 -9.209 18.326
442 HD21 LEU 61 3HD2 LEU 61 4.980 -7.569 17.383
443 HD22 LEU 61 1HD2 LEU 61 4.228 -7.831 15.809
444 HD23 LEU 61 2HD2 LEU 61 5.767 -6.976 15.919
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -0.827 0.656 -0.830
2 HA2 GLY 1 2HA GLY 1 1.203 -0.677 -1.954
3 HA3 GLY 1 3HA GLY 1 0.262 0.485 -2.877
4 H SER 2 H SER 2 1.107 2.858 -1.687
5 HA SER 2 HA SER 2 4.009 2.879 -2.147
6 HB2 SER 2 2HB SER 2 3.895 4.724 -3.631
7 HB3 SER 2 3HB SER 2 2.649 3.607 -4.190
8 HG SER 2 HG SER 2 2.232 6.051 -3.752
9 H MET 3 H MET 3 5.170 4.361 -0.960
10 HA MET 3 HA MET 3 4.002 5.251 1.469
11 HB2 MET 3 2HB MET 3 6.311 4.648 1.487
12 HB3 MET 3 3HB MET 3 6.682 5.770 0.185
13 HG2 MET 3 2HG MET 3 5.504 7.065 2.509
14 HG3 MET 3 3HG MET 3 7.017 6.235 2.864
15 HE1 MET 3 3HE MET 3 8.931 7.972 3.131
16 HE2 MET 3 1HE MET 3 9.262 6.758 1.895
17 HE3 MET 3 2HE MET 3 9.674 8.447 1.603
18 H ASP 4 H ASP 4 3.234 7.200 2.075
19 HA ASP 4 HA ASP 4 3.391 9.399 0.121
20 HB2 ASP 4 2HB ASP 4 1.047 8.089 1.254
21 HB3 ASP 4 3HB ASP 4 1.038 9.828 1.533
22 HA PRO 5 HA PRO 5 4.750 12.039 3.348
23 HB2 PRO 5 2HB PRO 5 3.473 14.367 2.782
24 HB3 PRO 5 3HB PRO 5 4.807 13.741 1.806
25 HG2 PRO 5 2HG PRO 5 1.859 13.572 1.316
26 HG3 PRO 5 3HG PRO 5 3.164 13.934 0.172
27 HD2 PRO 5 2HD PRO 5 2.016 11.488 0.345
28 HD3 PRO 5 3HD PRO 5 3.723 11.713 -0.088
29 H ASN 6 H ASN 6 1.253 11.962 2.836
30 HA ASN 6 HA ASN 6 0.797 12.799 5.602
31 HB2 ASN 6 2HB ASN 6 -1.650 12.727 4.841
32 HB3 ASN 6 3HB ASN 6 -0.625 13.968 4.126
33 HD21 ASN 6 1HD2 ASN 6 -1.687 10.633 3.562
34 HD22 ASN 6 2HD2 ASN 6 -1.840 10.791 1.848
35 H ALA 7 H ALA 7 1.994 10.311 5.345
36 HA ALA 7 HA ALA 7 -0.161 8.559 6.312
37 HB1 ALA 7 1HB ALA 7 1.993 7.869 4.333
38 HB2 ALA 7 2HB ALA 7 1.127 6.641 5.257
39 HB3 ALA 7 3HB ALA 7 0.245 7.702 4.158
40 H LEU 8 H LEU 8 0.729 6.677 7.577
41 HA LEU 8 HA LEU 8 3.177 7.439 9.025
42 HB2 LEU 8 2HB LEU 8 0.616 6.357 10.190
43 HB3 LEU 8 3HB LEU 8 2.118 6.576 11.087
44 HG LEU 8 HG LEU 8 0.419 8.755 9.874
45 HD11 LEU 8 1HD1 LEU 8 0.589 9.291 12.509
46 HD12 LEU 8 2HD1 LEU 8 0.614 7.528 12.543
47 HD13 LEU 8 3HD1 LEU 8 -0.728 8.375 11.773
48 HD21 LEU 8 3HD2 LEU 8 3.197 8.717 10.563
49 HD22 LEU 8 1HD2 LEU 8 2.328 9.789 11.662
50 HD23 LEU 8 2HD2 LEU 8 2.226 10.041 9.919
51 H TYR 9 H TYR 9 4.508 5.780 9.707
52 HA TYR 9 HA TYR 9 3.709 3.026 9.171
53 HB2 TYR 9 2HB TYR 9 6.324 4.031 8.072
54 HB3 TYR 9 3HB TYR 9 5.490 2.525 7.709
55 HD1 TYR 9 HD1 TYR 9 3.426 2.575 6.300
56 HD2 TYR 9 HD2 TYR 9 5.871 6.014 6.848
57 HE1 TYR 9 HE1 TYR 9 2.387 3.620 4.330
58 HE2 TYR 9 HE2 TYR 9 4.838 7.069 4.881
59 HH TYR 9 HH TYR 9 2.489 5.332 2.885
60 H CYS 10 H CYS 10 6.547 5.004 10.047
61 HA CYS 10 HA CYS 10 7.909 3.183 11.583
62 HB2 CYS 10 2HB CYS 10 8.680 5.490 10.974
63 HB3 CYS 10 3HB CYS 10 7.645 6.119 12.250
64 H ILE 11 H ILE 11 8.079 2.876 13.884
65 HA ILE 11 HA ILE 11 5.678 2.255 15.136
66 HB ILE 11 HB ILE 11 7.007 2.114 17.246
67 HG12 ILE 11 2HG1 ILE 11 9.243 3.089 15.455
68 HG13 ILE 11 3HG1 ILE 11 8.558 3.959 16.824
69 HG21 ILE 11 1HG2 ILE 11 8.770 0.734 15.375
70 HG22 ILE 11 2HG2 ILE 11 7.701 0.084 16.617
71 HG23 ILE 11 3HG2 ILE 11 7.056 0.504 15.031
72 HD11 ILE 11 3HD1 ILE 11 10.010 1.329 16.990
73 HD12 ILE 11 1HD1 ILE 11 10.705 2.909 17.352
74 HD13 ILE 11 2HD1 ILE 11 9.391 2.275 18.344
75 H CYS 12 H CYS 12 7.597 5.196 15.254
76 HA CYS 12 HA CYS 12 6.124 6.394 17.389
77 HB2 CYS 12 2HB CYS 12 7.351 8.425 16.840
78 HB3 CYS 12 3HB CYS 12 8.444 7.046 16.845
79 H ARG 13 H ARG 13 5.457 5.855 14.126
80 HA ARG 13 HA ARG 13 3.785 6.513 12.733
81 HB2 ARG 13 2HB ARG 13 2.706 7.077 15.443
82 HB3 ARG 13 3HB ARG 13 1.861 7.803 14.082
83 HG2 ARG 13 2HG ARG 13 0.747 5.797 14.410
84 HG3 ARG 13 3HG ARG 13 1.856 5.437 13.085
85 HD2 ARG 13 2HD ARG 13 3.367 4.321 14.556
86 HD3 ARG 13 3HD ARG 13 2.479 4.872 15.976
87 HE ARG 13 HE ARG 13 0.904 3.273 14.182
88 HH11 ARG 13 1HH1 ARG 13 3.145 3.218 16.847
89 HH12 ARG 13 2HH1 ARG 13 2.628 1.666 17.419
90 HH21 ARG 13 1HH2 ARG 13 0.215 1.229 14.926
91 HH22 ARG 13 2HH2 ARG 13 0.962 0.536 16.325
92 H GLN 14 H GLN 14 5.559 8.025 12.008
93 HA GLN 14 HA GLN 14 4.526 10.766 12.092
94 HB2 GLN 14 2HB GLN 14 7.270 9.851 12.833
95 HB3 GLN 14 3HB GLN 14 7.090 11.398 12.016
96 HG2 GLN 14 2HG GLN 14 5.195 11.191 14.157
97 HG3 GLN 14 3HG GLN 14 6.822 10.856 14.746
98 HE21 GLN 14 1HE2 GLN 14 8.436 12.459 13.451
99 HE22 GLN 14 2HE2 GLN 14 8.015 14.121 13.660
100 HA PRO 15 HA PRO 15 5.159 10.817 7.753
101 HB2 PRO 15 2HB PRO 15 5.942 13.378 7.310
102 HB3 PRO 15 3HB PRO 15 4.286 12.942 7.748
103 HG2 PRO 15 2HG PRO 15 6.489 13.993 9.481
104 HG3 PRO 15 3HG PRO 15 4.775 14.444 9.455
105 HD2 PRO 15 2HD PRO 15 5.810 12.758 11.304
106 HD3 PRO 15 3HD PRO 15 4.144 12.613 10.705
107 H HIS 16 H HIS 16 6.715 10.737 6.112
108 HA HIS 16 HA HIS 16 9.399 10.236 7.018
109 HB2 HIS 16 2HB HIS 16 9.804 9.338 4.890
110 HB3 HIS 16 3HB HIS 16 8.105 8.976 5.178
111 HD1 HIS 16 HD1 HIS 16 6.362 10.559 3.915
112 HD2 HIS 16 HD2 HIS 16 10.311 10.835 2.654
113 HE1 HIS 16 HE1 HIS 16 6.275 11.710 1.681
114 H ASN 17 H ASN 17 7.788 13.008 6.258
115 HA ASN 17 HA ASN 17 9.976 14.327 4.872
116 HB2 ASN 17 2HB ASN 17 8.408 16.351 5.126
117 HB3 ASN 17 3HB ASN 17 7.876 15.036 4.082
118 HD21 ASN 17 1HD2 ASN 17 7.710 16.025 7.485
119 HD22 ASN 17 2HD2 ASN 17 6.061 15.566 7.715
120 H ASN 18 H ASN 18 10.768 13.376 7.341
121 HA ASN 18 HA ASN 18 11.187 15.887 8.817
122 HB2 ASN 18 2HB ASN 18 10.158 13.299 9.799
123 HB3 ASN 18 3HB ASN 18 11.412 14.032 10.794
124 HD21 ASN 18 1HD2 ASN 18 8.459 14.963 9.060
125 HD22 ASN 18 2HD2 ASN 18 7.852 15.997 10.304
126 H ARG 19 H ARG 19 12.400 12.607 9.385
127 HA ARG 19 HA ARG 19 15.113 13.588 8.784
128 HB2 ARG 19 2HB ARG 19 15.862 11.916 10.555
129 HB3 ARG 19 3HB ARG 19 15.062 13.372 11.132
130 HG2 ARG 19 2HG ARG 19 13.246 11.137 10.630
131 HG3 ARG 19 3HG ARG 19 14.445 10.833 11.889
132 HD2 ARG 19 2HD ARG 19 13.067 13.450 11.958
133 HD3 ARG 19 3HD ARG 19 12.097 12.033 12.357
134 HE ARG 19 HE ARG 19 14.580 12.068 13.762
135 HH11 ARG 19 1HH1 ARG 19 11.352 13.369 13.733
136 HH12 ARG 19 2HH1 ARG 19 11.314 13.662 15.440
137 HH21 ARG 19 1HH2 ARG 19 14.543 12.448 16.011
138 HH22 ARG 19 2HH2 ARG 19 13.130 13.139 16.735
139 H PHE 20 H PHE 20 16.600 11.412 8.821
140 HA PHE 20 HA PHE 20 16.164 10.145 6.410
141 HB2 PHE 20 2HB PHE 20 18.337 10.106 7.474
142 HB3 PHE 20 3HB PHE 20 17.705 9.160 8.818
143 HD1 PHE 20 HD1 PHE 20 17.119 6.798 8.505
144 HD2 PHE 20 HD2 PHE 20 18.926 9.085 5.403
145 HE1 PHE 20 HE1 PHE 20 17.707 4.723 7.321
146 HE2 PHE 20 HE2 PHE 20 19.517 7.014 4.215
147 HZ PHE 20 HZ PHE 20 18.906 4.829 5.173
148 H MET 21 H MET 21 15.378 8.123 5.790
149 HA MET 21 HA MET 21 13.934 6.543 7.775
150 HB2 MET 21 2HB MET 21 12.697 8.060 5.532
151 HB3 MET 21 3HB MET 21 12.060 6.460 5.884
152 HG2 MET 21 2HG MET 21 12.096 7.478 8.360
153 HG3 MET 21 3HG MET 21 11.878 8.960 7.432
154 HE1 MET 21 3HE MET 21 9.833 6.551 9.415
155 HE2 MET 21 1HE MET 21 8.877 5.659 8.231
156 HE3 MET 21 2HE MET 21 10.629 5.466 8.274
157 H ILE 22 H ILE 22 13.718 4.382 7.250
158 HA ILE 22 HA ILE 22 15.126 3.537 4.803
159 HB ILE 22 HB ILE 22 16.232 2.940 6.973
160 HG12 ILE 22 2HG1 ILE 22 15.339 0.446 5.547
161 HG13 ILE 22 3HG1 ILE 22 16.354 1.636 4.739
162 HG21 ILE 22 1HG2 ILE 22 13.643 2.176 7.689
163 HG22 ILE 22 2HG2 ILE 22 14.557 0.675 7.560
164 HG23 ILE 22 3HG2 ILE 22 15.120 1.960 8.628
165 HD11 ILE 22 3HD1 ILE 22 17.030 0.164 7.274
166 HD12 ILE 22 1HD1 ILE 22 17.683 -0.163 5.669
167 HD13 ILE 22 2HD1 ILE 22 18.047 1.363 6.476
168 H CYS 23 H CYS 23 14.357 1.667 3.706
169 HA CYS 23 HA CYS 23 11.471 1.261 4.054
170 HB2 CYS 23 2HB CYS 23 12.030 2.047 1.855
171 HB3 CYS 23 3HB CYS 23 13.289 0.831 1.681
172 HG CYS 23 HG CYS 23 9.935 0.496 1.364
173 H CYS 24 H CYS 24 10.721 -0.611 4.793
174 HA CYS 24 HA CYS 24 12.586 -2.869 5.005
175 HB2 CYS 24 2HB CYS 24 11.696 -2.178 7.136
176 HB3 CYS 24 3HB CYS 24 10.050 -2.221 6.517
177 H ASP 25 H ASP 25 12.363 -4.485 3.622
178 HA ASP 25 HA ASP 25 10.064 -4.688 1.914
179 HB2 ASP 25 2HB ASP 25 12.709 -6.021 2.127
180 HB3 ASP 25 3HB ASP 25 11.421 -6.937 1.350
181 H ARG 26 H ARG 26 11.095 -6.125 4.878
182 HA ARG 26 HA ARG 26 9.770 -8.562 4.848
183 HB2 ARG 26 2HB ARG 26 11.275 -7.284 6.669
184 HB3 ARG 26 3HB ARG 26 9.689 -7.011 7.376
185 HG2 ARG 26 2HG ARG 26 10.866 -9.694 6.681
186 HG3 ARG 26 3HG ARG 26 10.753 -8.997 8.298
187 HD2 ARG 26 2HD ARG 26 8.360 -9.055 8.225
188 HD3 ARG 26 3HD ARG 26 8.375 -9.523 6.525
189 HE ARG 26 HE ARG 26 9.785 -11.452 7.973
190 HH11 ARG 26 1HH1 ARG 26 6.538 -10.240 7.649
191 HH12 ARG 26 2HH1 ARG 26 5.794 -11.748 8.068
192 HH21 ARG 26 1HH2 ARG 26 8.818 -13.442 8.526
193 HH22 ARG 26 2HH2 ARG 26 7.092 -13.569 8.567
194 H CYS 27 H CYS 27 8.540 -5.599 6.414
195 HA CYS 27 HA CYS 27 5.821 -6.638 6.126
196 HB2 CYS 27 2HB CYS 27 5.215 -4.770 7.669
197 HB3 CYS 27 3HB CYS 27 6.378 -5.901 8.351
198 H GLU 28 H GLU 28 7.920 -4.659 4.479
199 HA GLU 28 HA GLU 28 7.667 -3.250 2.709
200 HB2 GLU 28 2HB GLU 28 4.704 -3.784 2.814
201 HB3 GLU 28 3HB GLU 28 5.674 -3.318 1.424
202 HG2 GLU 28 2HG GLU 28 6.878 -5.545 1.738
203 HG3 GLU 28 3HG GLU 28 5.542 -5.973 2.805
204 H GLU 29 H GLU 29 7.957 -1.980 5.009
205 HA GLU 29 HA GLU 29 6.171 0.326 4.732
206 HB2 GLU 29 2HB GLU 29 6.179 -1.461 6.954
207 HB3 GLU 29 3HB GLU 29 6.845 0.076 7.488
208 HG2 GLU 29 2HG GLU 29 4.797 1.125 6.352
209 HG3 GLU 29 3HG GLU 29 4.134 -0.507 6.366
210 H TRP 30 H TRP 30 7.177 1.971 6.630
211 HA TRP 30 HA TRP 30 10.030 2.187 5.924
212 HB2 TRP 30 2HB TRP 30 7.889 4.293 6.082
213 HB3 TRP 30 3HB TRP 30 9.589 4.717 6.262
214 HD1 TRP 30 HD1 TRP 30 7.045 3.580 3.662
215 HE1 TRP 30 HE1 TRP 30 8.078 3.841 1.319
216 HE3 TRP 30 HE3 TRP 30 11.846 4.702 5.012
217 HZ2 TRP 30 HZ2 TRP 30 10.595 4.442 0.192
218 HZ3 TRP 30 HZ3 TRP 30 13.506 5.105 3.241
219 HH2 TRP 30 HH2 TRP 30 12.891 4.977 0.882
220 H PHE 31 H PHE 31 11.427 3.123 7.491
221 HA PHE 31 HA PHE 31 10.385 3.538 10.174
222 HB2 PHE 31 2HB PHE 31 12.451 1.417 9.552
223 HB3 PHE 31 3HB PHE 31 12.013 1.953 11.171
224 HD1 PHE 31 HD1 PHE 31 10.892 0.112 8.206
225 HD2 PHE 31 HD2 PHE 31 9.965 1.257 12.199
226 HE1 PHE 31 HE1 PHE 31 9.084 -1.557 8.262
227 HE2 PHE 31 HE2 PHE 31 8.157 -0.410 12.262
228 HZ PHE 31 HZ PHE 31 7.715 -1.820 10.292
229 H HIS 32 H HIS 32 11.415 5.162 11.145
230 HA HIS 32 HA HIS 32 13.381 6.676 9.857
231 HB2 HIS 32 2HB HIS 32 12.428 6.606 12.715
232 HB3 HIS 32 3HB HIS 32 13.669 7.734 12.175
233 HD2 HIS 32 HD2 HIS 32 12.577 9.238 9.744
234 HE1 HIS 32 HE1 HIS 32 8.767 9.363 11.607
235 HE2 HIS 32 HE2 HIS 32 10.204 10.268 9.747
236 H GLY 33 H GLY 33 15.537 6.551 9.762
237 HA2 GLY 33 2HA GLY 33 16.971 4.306 10.507
238 HA3 GLY 33 3HA GLY 33 17.693 5.873 10.174
239 H ASP 34 H ASP 34 16.158 7.096 12.421
240 HA ASP 34 HA ASP 34 18.120 6.629 14.455
241 HB2 ASP 34 2HB ASP 34 16.568 8.764 13.799
242 HB3 ASP 34 3HB ASP 34 15.686 8.130 15.186
243 H CYS 35 H CYS 35 14.599 6.130 14.265
244 HA CYS 35 HA CYS 35 14.258 4.963 16.773
245 HB2 CYS 35 2HB CYS 35 12.718 4.447 14.220
246 HB3 CYS 35 3HB CYS 35 12.183 3.988 15.832
247 H VAL 36 H VAL 36 15.123 3.511 13.672
248 HA VAL 36 HA VAL 36 15.157 0.836 14.767
249 HB VAL 36 HB VAL 36 16.078 0.203 12.531
250 HG11 VAL 36 1HG1 VAL 36 13.565 1.868 12.424
251 HG12 VAL 36 2HG1 VAL 36 14.009 0.558 11.328
252 HG13 VAL 36 3HG1 VAL 36 13.660 0.212 13.023
253 HG21 VAL 36 3HG2 VAL 36 16.716 2.910 12.381
254 HG22 VAL 36 1HG2 VAL 36 16.870 1.710 11.097
255 HG23 VAL 36 2HG2 VAL 36 15.408 2.688 11.219
256 H GLY 37 H GLY 37 17.398 3.432 14.263
257 HA2 GLY 37 2HA GLY 37 19.447 3.501 15.507
258 HA3 GLY 37 3HA GLY 37 19.520 1.747 15.411
259 H ILE 38 H ILE 38 18.664 2.190 12.455
260 HA ILE 38 HA ILE 38 21.200 1.836 11.323
261 HB ILE 38 HB ILE 38 18.635 2.718 9.995
262 HG12 ILE 38 2HG1 ILE 38 18.485 0.535 11.108
263 HG13 ILE 38 3HG1 ILE 38 18.437 0.354 9.358
264 HG21 ILE 38 1HG2 ILE 38 20.092 1.420 8.087
265 HG22 ILE 38 2HG2 ILE 38 19.967 3.170 8.252
266 HG23 ILE 38 3HG2 ILE 38 21.339 2.314 8.956
267 HD11 ILE 38 3HD1 ILE 38 20.132 -1.054 9.450
268 HD12 ILE 38 1HD1 ILE 38 21.142 0.180 10.203
269 HD13 ILE 38 2HD1 ILE 38 20.163 -0.891 11.206
270 H SER 39 H SER 39 22.703 3.190 10.541
271 HA SER 39 HA SER 39 22.384 6.021 11.040
272 HB2 SER 39 2HB SER 39 24.768 4.628 9.808
273 HB3 SER 39 3HB SER 39 24.735 6.203 10.602
274 HG SER 39 HG SER 39 23.951 4.866 12.493
275 H GLU 40 H GLU 40 23.054 7.623 9.390
276 HA GLU 40 HA GLU 40 21.474 7.464 7.099
277 HB2 GLU 40 2HB GLU 40 22.237 9.585 8.074
278 HB3 GLU 40 3HB GLU 40 23.886 9.219 7.589
279 HG2 GLU 40 2HG GLU 40 22.914 9.086 5.205
280 HG3 GLU 40 3HG GLU 40 21.542 9.957 5.889
281 H ALA 41 H ALA 41 24.905 6.783 7.563
282 HA ALA 41 HA ALA 41 25.437 6.327 4.789
283 HB1 ALA 41 1HB ALA 41 27.585 6.209 5.413
284 HB2 ALA 41 2HB ALA 41 27.000 6.776 6.977
285 HB3 ALA 41 3HB ALA 41 27.249 5.052 6.702
286 H ARG 42 H ARG 42 25.015 4.190 7.605
287 HA ARG 42 HA ARG 42 25.355 1.754 6.306
288 HB2 ARG 42 2HB ARG 42 25.104 2.243 8.817
289 HB3 ARG 42 3HB ARG 42 23.371 2.157 8.533
290 HG2 ARG 42 2HG ARG 42 23.776 0.009 9.164
291 HG3 ARG 42 3HG ARG 42 24.007 -0.143 7.421
292 HD2 ARG 42 2HD ARG 42 26.255 -0.424 7.606
293 HD3 ARG 42 3HD ARG 42 26.375 0.608 9.031
294 HE ARG 42 HE ARG 42 26.082 -2.221 8.995
295 HH11 ARG 42 1HH1 ARG 42 25.222 0.643 10.777
296 HH12 ARG 42 2HH1 ARG 42 25.067 -0.187 12.290
297 HH21 ARG 42 1HH2 ARG 42 25.880 -3.325 10.980
298 HH22 ARG 42 2HH2 ARG 42 25.442 -2.444 12.405
299 H GLY 43 H GLY 43 22.341 3.556 6.907
300 HA2 GLY 43 2HA GLY 43 20.588 1.756 5.680
301 HA3 GLY 43 3HA GLY 43 20.302 3.481 5.858
302 H ARG 44 H ARG 44 22.270 4.561 4.284
303 HA ARG 44 HA ARG 44 21.156 4.265 1.698
304 HB2 ARG 44 2HB ARG 44 23.387 5.821 2.901
305 HB3 ARG 44 3HB ARG 44 23.405 5.604 1.156
306 HG2 ARG 44 2HG ARG 44 20.804 6.420 2.179
307 HG3 ARG 44 3HG ARG 44 22.088 7.582 2.517
308 HD2 ARG 44 2HD ARG 44 21.977 6.440 -0.214
309 HD3 ARG 44 3HD ARG 44 20.703 7.574 0.234
310 HE ARG 44 HE ARG 44 23.484 8.173 -0.220
311 HH11 ARG 44 1HH1 ARG 44 20.521 9.208 1.285
312 HH12 ARG 44 2HH1 ARG 44 20.977 10.879 1.335
313 HH21 ARG 44 1HH2 ARG 44 24.096 10.370 -0.161
314 HH22 ARG 44 2HH2 ARG 44 23.010 11.538 0.511
315 H LEU 45 H LEU 45 23.841 2.781 3.322
316 HA LEU 45 HA LEU 45 25.277 1.890 1.061
317 HB2 LEU 45 2HB LEU 45 26.101 1.956 3.426
318 HB3 LEU 45 3HB LEU 45 25.106 0.537 3.747
319 HG LEU 45 HG LEU 45 26.711 -0.098 1.520
320 HD11 LEU 45 1HD1 LEU 45 28.329 1.512 1.860
321 HD12 LEU 45 2HD1 LEU 45 28.958 0.154 2.791
322 HD13 LEU 45 3HD1 LEU 45 28.142 1.483 3.613
323 HD21 LEU 45 3HD2 LEU 45 26.148 -1.839 2.914
324 HD22 LEU 45 1HD2 LEU 45 26.507 -0.925 4.380
325 HD23 LEU 45 2HD2 LEU 45 27.823 -1.551 3.386
326 H LEU 46 H LEU 46 22.773 0.335 3.041
327 HA LEU 46 HA LEU 46 22.746 -2.121 1.669
328 HB2 LEU 46 2HB LEU 46 20.427 -0.808 3.072
329 HB3 LEU 46 3HB LEU 46 20.635 -2.527 2.747
330 HG LEU 46 HG LEU 46 22.201 -0.841 4.697
331 HD11 LEU 46 1HD1 LEU 46 20.403 -3.218 5.144
332 HD12 LEU 46 2HD1 LEU 46 19.928 -1.537 5.388
333 HD13 LEU 46 3HD1 LEU 46 21.206 -2.245 6.376
334 HD21 LEU 46 3HD2 LEU 46 22.790 -3.557 5.046
335 HD22 LEU 46 1HD2 LEU 46 23.870 -2.286 4.472
336 HD23 LEU 46 2HD2 LEU 46 22.949 -3.248 3.316
337 H GLU 47 H GLU 47 21.240 0.957 1.009
338 HA GLU 47 HA GLU 47 19.377 -0.008 -0.923
339 HB2 GLU 47 2HB GLU 47 20.195 2.573 0.167
340 HB3 GLU 47 3HB GLU 47 19.839 2.648 -1.553
341 HG2 GLU 47 2HG GLU 47 17.836 1.145 -0.105
342 HG3 GLU 47 3HG GLU 47 18.021 2.781 0.525
343 H ARG 48 H ARG 48 22.706 1.032 -1.011
344 HA ARG 48 HA ARG 48 22.809 1.230 -3.884
345 HB2 ARG 48 2HB ARG 48 24.489 1.953 -1.685
346 HB3 ARG 48 3HB ARG 48 25.418 0.958 -2.798
347 HG2 ARG 48 2HG ARG 48 25.784 3.126 -3.544
348 HG3 ARG 48 3HG ARG 48 24.532 2.516 -4.627
349 HD2 ARG 48 2HD ARG 48 23.141 4.133 -4.006
350 HD3 ARG 48 3HD ARG 48 23.323 3.689 -2.309
351 HE ARG 48 HE ARG 48 24.737 5.463 -2.041
352 HH11 ARG 48 1HH1 ARG 48 24.444 4.757 -5.438
353 HH12 ARG 48 2HH1 ARG 48 25.337 6.155 -5.939
354 HH21 ARG 48 1HH2 ARG 48 25.914 7.307 -2.688
355 HH22 ARG 48 2HH2 ARG 48 26.173 7.604 -4.374
356 H ASN 49 H ASN 49 23.598 -1.157 -1.434
357 HA ASN 49 HA ASN 49 24.841 -2.943 -3.341
358 HB2 ASN 49 2HB ASN 49 24.368 -2.945 -0.398
359 HB3 ASN 49 3HB ASN 49 24.588 -4.502 -1.192
360 HD21 ASN 49 1HD2 ASN 49 26.186 -2.412 0.560
361 HD22 ASN 49 2HD2 ASN 49 27.768 -2.518 -0.127
362 H GLY 50 H GLY 50 21.699 -2.363 -2.045
363 HA2 GLY 50 2HA GLY 50 19.690 -3.218 -2.865
364 HA3 GLY 50 3HA GLY 50 20.598 -4.423 -3.765
365 H GLU 51 H GLU 51 21.283 -4.010 -0.404
366 HA GLU 51 HA GLU 51 20.429 -6.716 0.125
367 HB2 GLU 51 2HB GLU 51 21.905 -4.615 1.668
368 HB3 GLU 51 3HB GLU 51 21.233 -6.002 2.514
369 HG2 GLU 51 2HG GLU 51 22.508 -7.490 1.012
370 HG3 GLU 51 3HG GLU 51 23.237 -6.067 0.270
371 H ASP 52 H ASP 52 18.328 -7.075 0.431
372 HA ASP 52 HA ASP 52 16.396 -5.234 1.184
373 HB2 ASP 52 2HB ASP 52 15.075 -7.318 1.893
374 HB3 ASP 52 3HB ASP 52 15.619 -7.235 0.220
375 H TYR 53 H TYR 53 16.646 -4.007 2.962
376 HA TYR 53 HA TYR 53 17.677 -5.062 5.427
377 HB2 TYR 53 2HB TYR 53 18.226 -2.804 5.024
378 HB3 TYR 53 3HB TYR 53 16.571 -2.388 4.594
379 HD1 TYR 53 HD1 TYR 53 14.894 -2.005 6.320
380 HD2 TYR 53 HD2 TYR 53 18.914 -2.953 7.343
381 HE1 TYR 53 HE1 TYR 53 14.476 -1.264 8.628
382 HE2 TYR 53 HE2 TYR 53 18.506 -2.216 9.653
383 HH TYR 53 HH TYR 53 15.992 -0.353 10.572
384 H ILE 54 H ILE 54 16.576 -5.357 7.365
385 HA ILE 54 HA ILE 54 13.637 -5.360 7.202
386 HB ILE 54 HB ILE 54 15.340 -7.522 8.448
387 HG12 ILE 54 2HG1 ILE 54 13.522 -7.558 6.029
388 HG13 ILE 54 3HG1 ILE 54 15.279 -7.656 6.004
389 HG21 ILE 54 1HG2 ILE 54 12.599 -8.240 8.211
390 HG22 ILE 54 2HG2 ILE 54 13.578 -8.085 9.670
391 HG23 ILE 54 3HG2 ILE 54 12.701 -6.689 9.045
392 HD11 ILE 54 3HD1 ILE 54 15.170 -9.851 6.187
393 HD12 ILE 54 1HD1 ILE 54 14.282 -9.703 7.704
394 HD13 ILE 54 2HD1 ILE 54 13.409 -9.754 6.172
395 H CYS 55 H CYS 55 12.938 -3.903 8.614
396 HA CYS 55 HA CYS 55 14.293 -2.687 10.648
397 HB2 CYS 55 2HB CYS 55 12.098 -2.112 11.618
398 HB3 CYS 55 3HB CYS 55 12.122 -1.901 9.871
399 HA PRO 56 HA PRO 56 14.787 -5.493 13.984
400 HB2 PRO 56 2HB PRO 56 14.495 -3.851 16.126
401 HB3 PRO 56 3HB PRO 56 15.918 -3.818 15.077
402 HG2 PRO 56 2HG PRO 56 13.524 -2.021 15.077
403 HG3 PRO 56 3HG PRO 56 15.238 -1.601 14.906
404 HD2 PRO 56 2HD PRO 56 13.561 -1.769 12.787
405 HD3 PRO 56 3HD PRO 56 15.286 -2.175 12.674
406 H ASN 57 H ASN 57 11.833 -3.978 13.381
407 HA ASN 57 HA ASN 57 10.413 -5.033 15.661
408 HB2 ASN 57 2HB ASN 57 9.926 -3.029 13.770
409 HB3 ASN 57 3HB ASN 57 8.717 -4.266 13.439
410 HD21 ASN 57 1HD2 ASN 57 8.101 -1.718 14.374
411 HD22 ASN 57 2HD2 ASN 57 7.439 -1.858 15.964
412 H CYS 58 H CYS 58 10.752 -5.815 12.230
413 HA CYS 58 HA CYS 58 8.919 -8.020 12.351
414 HB2 CYS 58 2HB CYS 58 10.886 -7.090 10.259
415 HB3 CYS 58 3HB CYS 58 9.889 -8.525 10.055
416 H THR 59 H THR 59 12.442 -7.661 12.263
417 HA THR 59 HA THR 59 13.220 -10.294 12.065
418 HB THR 59 HB THR 59 14.741 -8.283 12.139
419 HG1 THR 59 HG1 THR 59 15.343 -10.567 13.734
420 HG21 THR 59 3HG2 THR 59 15.460 -7.366 14.173
421 HG22 THR 59 1HG2 THR 59 14.767 -8.684 15.117
422 HG23 THR 59 2HG2 THR 59 13.711 -7.494 14.357
423 H ILE 60 H ILE 60 11.858 -8.623 14.808
424 HA ILE 60 HA ILE 60 12.240 -11.018 16.472
425 HB ILE 60 HB ILE 60 11.815 -9.643 18.405
426 HG12 ILE 60 2HG1 ILE 60 11.808 -7.008 17.439
427 HG13 ILE 60 3HG1 ILE 60 10.647 -7.873 16.438
428 HG21 ILE 60 1HG2 ILE 60 14.075 -9.613 17.072
429 HG22 ILE 60 2HG2 ILE 60 13.662 -7.916 16.833
430 HG23 ILE 60 3HG2 ILE 60 13.836 -8.560 18.465
431 HD11 ILE 60 3HD1 ILE 60 9.308 -7.164 18.142
432 HD12 ILE 60 1HD1 ILE 60 9.785 -8.750 18.749
433 HD13 ILE 60 2HD1 ILE 60 10.585 -7.298 19.351
434 H LEU 61 H LEU 61 9.903 -9.149 14.803
435 HA LEU 61 HA LEU 61 7.804 -10.957 15.704
436 HB2 LEU 61 2HB LEU 61 8.024 -8.435 16.808
437 HB3 LEU 61 3HB LEU 61 6.824 -8.224 15.534
438 HG LEU 61 HG LEU 61 5.721 -8.669 17.631
439 HD11 LEU 61 1HD1 LEU 61 4.591 -9.548 15.730
440 HD12 LEU 61 2HD1 LEU 61 4.490 -10.757 17.009
441 HD13 LEU 61 3HD1 LEU 61 5.638 -10.967 15.687
442 HD21 LEU 61 3HD2 LEU 61 6.080 -10.645 18.924
443 HD22 LEU 61 1HD2 LEU 61 7.647 -9.878 18.664
444 HD23 LEU 61 2HD2 LEU 61 7.193 -11.297 17.720
Start of MODEL 10
1 H1 GLY 1 H GLY 1 0.295 -0.127 -0.323
2 HA2 GLY 1 2HA GLY 1 1.087 -0.679 -2.445
3 HA3 GLY 1 3HA GLY 1 0.144 0.644 -3.114
4 H SER 2 H SER 2 1.004 2.867 -2.054
5 HA SER 2 HA SER 2 3.937 2.859 -2.303
6 HB2 SER 2 2HB SER 2 2.100 3.970 -4.152
7 HB3 SER 2 3HB SER 2 2.859 5.322 -3.311
8 HG SER 2 HG SER 2 4.888 4.421 -3.864
9 H MET 3 H MET 3 5.043 4.462 -1.144
10 HA MET 3 HA MET 3 3.837 5.219 1.309
11 HB2 MET 3 2HB MET 3 6.259 4.732 1.032
12 HB3 MET 3 3HB MET 3 6.424 6.215 0.103
13 HG2 MET 3 2HG MET 3 5.148 6.733 2.628
14 HG3 MET 3 3HG MET 3 6.683 5.898 2.857
15 HE1 MET 3 3HE MET 3 8.867 6.623 2.159
16 HE2 MET 3 1HE MET 3 9.346 8.319 2.080
17 HE3 MET 3 2HE MET 3 8.647 7.668 3.563
18 H ASP 4 H ASP 4 3.183 7.212 2.062
19 HA ASP 4 HA ASP 4 2.956 9.352 0.050
20 HB2 ASP 4 2HB ASP 4 0.877 8.006 1.590
21 HB3 ASP 4 3HB ASP 4 0.841 9.755 1.799
22 HA PRO 5 HA PRO 5 4.705 12.149 2.939
23 HB2 PRO 5 2HB PRO 5 3.262 14.410 2.518
24 HB3 PRO 5 3HB PRO 5 4.447 13.797 1.359
25 HG2 PRO 5 2HG PRO 5 1.468 13.509 1.353
26 HG3 PRO 5 3HG PRO 5 2.559 13.876 0.004
27 HD2 PRO 5 2HD PRO 5 1.552 11.399 0.430
28 HD3 PRO 5 3HD PRO 5 3.157 11.668 -0.277
29 H ASN 6 H ASN 6 1.143 12.283 2.948
30 HA ASN 6 HA ASN 6 1.164 12.985 5.781
31 HB2 ASN 6 2HB ASN 6 -1.357 13.113 5.416
32 HB3 ASN 6 3HB ASN 6 -0.379 14.288 4.541
33 HD21 ASN 6 1HD2 ASN 6 -1.846 11.087 4.186
34 HD22 ASN 6 2HD2 ASN 6 -2.237 11.261 2.512
35 H ALA 7 H ALA 7 2.146 10.440 5.257
36 HA ALA 7 HA ALA 7 -0.016 8.727 6.300
37 HB1 ALA 7 1HB ALA 7 0.511 7.918 4.136
38 HB2 ALA 7 2HB ALA 7 2.245 8.026 4.442
39 HB3 ALA 7 3HB ALA 7 1.274 6.817 5.283
40 H LEU 8 H LEU 8 0.968 6.741 7.467
41 HA LEU 8 HA LEU 8 3.335 7.507 9.023
42 HB2 LEU 8 2HB LEU 8 0.732 6.525 10.184
43 HB3 LEU 8 3HB LEU 8 2.224 6.768 11.089
44 HG LEU 8 HG LEU 8 0.571 8.914 9.758
45 HD11 LEU 8 1HD1 LEU 8 0.193 7.636 12.189
46 HD12 LEU 8 2HD1 LEU 8 -0.482 9.188 11.695
47 HD13 LEU 8 3HD1 LEU 8 1.027 9.133 12.606
48 HD21 LEU 8 3HD2 LEU 8 2.464 10.088 9.728
49 HD22 LEU 8 1HD2 LEU 8 3.329 8.863 10.657
50 HD23 LEU 8 2HD2 LEU 8 2.377 10.092 11.490
51 H TYR 9 H TYR 9 4.597 5.815 9.738
52 HA TYR 9 HA TYR 9 3.691 3.082 9.272
53 HB2 TYR 9 2HB TYR 9 6.345 3.956 8.152
54 HB3 TYR 9 3HB TYR 9 5.454 2.473 7.828
55 HD1 TYR 9 HD2 TYR 9 5.714 6.053 7.067
56 HD2 TYR 9 HD1 TYR 9 3.649 2.431 6.220
57 HE1 TYR 9 HE2 TYR 9 4.723 7.092 5.071
58 HE2 TYR 9 HE1 TYR 9 2.653 3.459 4.220
59 HH TYR 9 HH TYR 9 2.228 5.501 3.217
60 H CYS 10 H CYS 10 6.583 4.990 10.122
61 HA CYS 10 HA CYS 10 7.902 3.170 11.687
62 HB2 CYS 10 2HB CYS 10 8.657 5.504 11.057
63 HB3 CYS 10 3HB CYS 10 7.681 6.097 12.395
64 H ILE 11 H ILE 11 8.071 2.926 14.011
65 HA ILE 11 HA ILE 11 5.670 2.293 15.250
66 HB ILE 11 HB ILE 11 6.966 2.221 17.377
67 HG12 ILE 11 2HG1 ILE 11 9.190 3.270 15.614
68 HG13 ILE 11 3HG1 ILE 11 8.467 4.099 16.988
69 HG21 ILE 11 1HG2 ILE 11 8.811 0.874 15.560
70 HG22 ILE 11 2HG2 ILE 11 7.747 0.207 16.796
71 HG23 ILE 11 3HG2 ILE 11 7.112 0.578 15.193
72 HD11 ILE 11 3HD1 ILE 11 10.042 1.538 17.113
73 HD12 ILE 11 1HD1 ILE 11 10.633 3.142 17.546
74 HD13 ILE 11 2HD1 ILE 11 9.340 2.394 18.485
75 H CYS 12 H CYS 12 7.539 5.272 15.344
76 HA CYS 12 HA CYS 12 5.963 6.486 17.403
77 HB2 CYS 12 2HB CYS 12 7.180 8.551 16.796
78 HB3 CYS 12 3HB CYS 12 8.266 7.190 17.053
79 H ARG 13 H ARG 13 5.494 5.924 14.101
80 HA ARG 13 HA ARG 13 3.894 6.557 12.613
81 HB2 ARG 13 2HB ARG 13 2.653 7.097 15.255
82 HB3 ARG 13 3HB ARG 13 1.881 7.826 13.853
83 HG2 ARG 13 2HG ARG 13 0.761 5.825 14.048
84 HG3 ARG 13 3HG ARG 13 2.004 5.440 12.855
85 HD2 ARG 13 2HD ARG 13 3.301 4.271 14.424
86 HD3 ARG 13 3HD ARG 13 2.428 4.967 15.788
87 HE ARG 13 HE ARG 13 0.776 3.370 14.066
88 HH11 ARG 13 1HH1 ARG 13 2.977 3.321 16.763
89 HH12 ARG 13 2HH1 ARG 13 2.351 1.843 17.415
90 HH21 ARG 13 1HH2 ARG 13 -0.058 1.424 14.915
91 HH22 ARG 13 2HH2 ARG 13 0.625 0.764 16.363
92 H GLN 14 H GLN 14 5.686 8.092 11.990
93 HA GLN 14 HA GLN 14 4.645 10.837 12.088
94 HB2 GLN 14 2HB GLN 14 7.312 9.856 12.903
95 HB3 GLN 14 3HB GLN 14 7.303 11.310 11.913
96 HG2 GLN 14 2HG GLN 14 5.482 12.082 13.640
97 HG3 GLN 14 3HG GLN 14 6.265 10.879 14.663
98 HE21 GLN 14 1HE2 GLN 14 6.267 14.050 13.758
99 HE22 GLN 14 2HE2 GLN 14 7.865 14.485 14.251
100 HA PRO 15 HA PRO 15 5.190 10.955 7.738
101 HB2 PRO 15 2HB PRO 15 5.986 13.517 7.324
102 HB3 PRO 15 3HB PRO 15 4.336 13.088 7.787
103 HG2 PRO 15 2HG PRO 15 6.582 14.089 9.494
104 HG3 PRO 15 3HG PRO 15 4.871 14.555 9.510
105 HD2 PRO 15 2HD PRO 15 5.927 12.828 11.309
106 HD3 PRO 15 3HD PRO 15 4.249 12.708 10.741
107 H HIS 16 H HIS 16 6.712 10.874 6.071
108 HA HIS 16 HA HIS 16 9.412 10.353 6.918
109 HB2 HIS 16 2HB HIS 16 9.763 9.449 4.788
110 HB3 HIS 16 3HB HIS 16 8.061 9.116 5.094
111 HD1 HIS 16 HD1 HIS 16 6.361 10.904 3.942
112 HD2 HIS 16 HD2 HIS 16 10.243 10.778 2.468
113 HE1 HIS 16 HE1 HIS 16 6.262 12.024 1.692
114 H ASN 17 H ASN 17 7.805 13.137 6.225
115 HA ASN 17 HA ASN 17 9.960 14.454 4.786
116 HB2 ASN 17 2HB ASN 17 8.414 16.485 5.101
117 HB3 ASN 17 3HB ASN 17 7.843 15.182 4.063
118 HD21 ASN 17 1HD2 ASN 17 7.786 16.140 7.479
119 HD22 ASN 17 2HD2 ASN 17 6.139 15.692 7.752
120 H ASN 18 H ASN 18 10.814 13.476 7.226
121 HA ASN 18 HA ASN 18 11.317 15.974 8.694
122 HB2 ASN 18 2HB ASN 18 10.280 13.392 9.720
123 HB3 ASN 18 3HB ASN 18 11.518 14.177 10.696
124 HD21 ASN 18 1HD2 ASN 18 8.647 13.714 11.177
125 HD22 ASN 18 2HD2 ASN 18 7.982 15.271 11.518
126 H ARG 19 H ARG 19 12.442 12.658 9.237
127 HA ARG 19 HA ARG 19 15.173 13.561 8.595
128 HB2 ARG 19 2HB ARG 19 15.998 12.062 10.367
129 HB3 ARG 19 3HB ARG 19 14.938 13.312 11.004
130 HG2 ARG 19 2HG ARG 19 13.380 11.836 11.677
131 HG3 ARG 19 3HG ARG 19 13.625 10.779 10.285
132 HD2 ARG 19 2HD ARG 19 14.311 9.643 12.306
133 HD3 ARG 19 3HD ARG 19 15.720 9.974 11.299
134 HE ARG 19 HE ARG 19 16.546 11.294 12.969
135 HH11 ARG 19 1HH1 ARG 19 13.136 10.824 13.490
136 HH12 ARG 19 2HH1 ARG 19 13.132 11.605 15.036
137 HH21 ARG 19 1HH2 ARG 19 16.554 12.324 15.004
138 HH22 ARG 19 2HH2 ARG 19 15.077 12.459 15.896
139 H PHE 20 H PHE 20 16.582 11.315 8.633
140 HA PHE 20 HA PHE 20 16.003 10.063 6.213
141 HB2 PHE 20 2HB PHE 20 18.247 10.024 7.051
142 HB3 PHE 20 3HB PHE 20 17.748 9.188 8.517
143 HD1 PHE 20 HD2 PHE 20 18.314 8.831 4.903
144 HD2 PHE 20 HD1 PHE 20 17.459 6.827 8.559
145 HE1 PHE 20 HE2 PHE 20 18.789 6.670 3.826
146 HE2 PHE 20 HE1 PHE 20 17.933 4.663 7.488
147 HZ PHE 20 HZ PHE 20 18.598 4.583 5.118
148 H MET 21 H MET 21 15.200 8.022 5.677
149 HA MET 21 HA MET 21 13.887 6.481 7.787
150 HB2 MET 21 2HB MET 21 12.535 7.911 5.556
151 HB3 MET 21 3HB MET 21 11.942 6.307 5.964
152 HG2 MET 21 2HG MET 21 11.907 7.227 8.392
153 HG3 MET 21 3HG MET 21 11.930 8.800 7.598
154 HE1 MET 21 3HE MET 21 10.181 5.518 8.237
155 HE2 MET 21 1HE MET 21 9.451 6.681 9.345
156 HE3 MET 21 2HE MET 21 8.474 5.936 8.080
157 H ILE 22 H ILE 22 13.437 4.303 7.218
158 HA ILE 22 HA ILE 22 14.839 3.383 4.793
159 HB ILE 22 HB ILE 22 16.047 2.843 6.914
160 HG12 ILE 22 2HG1 ILE 22 15.050 0.302 5.650
161 HG13 ILE 22 3HG1 ILE 22 16.026 1.444 4.733
162 HG21 ILE 22 1HG2 ILE 22 14.387 0.626 7.691
163 HG22 ILE 22 2HG2 ILE 22 15.013 1.954 8.667
164 HG23 ILE 22 3HG2 ILE 22 13.489 2.140 7.798
165 HD11 ILE 22 3HD1 ILE 22 17.392 -0.327 5.662
166 HD12 ILE 22 1HD1 ILE 22 17.817 1.228 6.376
167 HD13 ILE 22 2HD1 ILE 22 16.838 0.077 7.286
168 H CYS 23 H CYS 23 14.013 1.513 3.760
169 HA CYS 23 HA CYS 23 11.152 1.094 4.269
170 HB2 CYS 23 2HB CYS 23 11.807 1.904 2.015
171 HB3 CYS 23 3HB CYS 23 12.760 0.442 1.791
172 HG CYS 23 HG CYS 23 10.826 -0.740 0.594
173 H CYS 24 H CYS 24 10.482 -0.762 5.110
174 HA CYS 24 HA CYS 24 12.369 -3.000 5.248
175 HB2 CYS 24 2HB CYS 24 11.531 -2.305 7.398
176 HB3 CYS 24 3HB CYS 24 9.868 -2.378 6.826
177 H ASP 25 H ASP 25 12.122 -4.671 3.935
178 HA ASP 25 HA ASP 25 9.799 -4.914 2.263
179 HB2 ASP 25 2HB ASP 25 12.450 -6.237 2.465
180 HB3 ASP 25 3HB ASP 25 11.152 -7.172 1.728
181 H ARG 26 H ARG 26 10.913 -6.321 5.222
182 HA ARG 26 HA ARG 26 9.572 -8.746 5.267
183 HB2 ARG 26 2HB ARG 26 11.117 -7.417 7.035
184 HB3 ARG 26 3HB ARG 26 9.541 -7.180 7.780
185 HG2 ARG 26 2HG ARG 26 10.782 -9.831 7.073
186 HG3 ARG 26 3HG ARG 26 10.657 -9.134 8.689
187 HD2 ARG 26 2HD ARG 26 8.256 -9.249 8.608
188 HD3 ARG 26 3HD ARG 26 8.298 -9.768 6.924
189 HE ARG 26 HE ARG 26 9.730 -11.534 8.659
190 HH11 ARG 26 1HH1 ARG 26 6.572 -10.695 7.460
191 HH12 ARG 26 2HH1 ARG 26 5.908 -12.273 7.726
192 HH21 ARG 26 1HH2 ARG 26 8.868 -13.616 9.015
193 HH22 ARG 26 2HH2 ARG 26 7.215 -13.934 8.611
194 H CYS 27 H CYS 27 8.394 -5.651 6.601
195 HA CYS 27 HA CYS 27 5.663 -6.720 6.487
196 HB2 CYS 27 2HB CYS 27 5.105 -4.773 7.961
197 HB3 CYS 27 3HB CYS 27 6.252 -5.904 8.669
198 H GLU 28 H GLU 28 7.743 -4.790 4.742
199 HA GLU 28 HA GLU 28 7.465 -3.439 2.932
200 HB2 GLU 28 2HB GLU 28 5.494 -5.205 2.650
201 HB3 GLU 28 3HB GLU 28 4.505 -3.779 2.933
202 HG2 GLU 28 2HG GLU 28 5.387 -2.680 1.030
203 HG3 GLU 28 3HG GLU 28 6.650 -3.893 0.833
204 H GLU 29 H GLU 29 7.724 -2.112 5.223
205 HA GLU 29 HA GLU 29 5.910 0.166 4.873
206 HB2 GLU 29 2HB GLU 29 5.990 -1.547 7.160
207 HB3 GLU 29 3HB GLU 29 6.604 0.034 7.625
208 HG2 GLU 29 2HG GLU 29 4.512 0.708 7.839
209 HG3 GLU 29 3HG GLU 29 4.338 0.558 6.091
210 H TRP 30 H TRP 30 6.886 1.926 6.637
211 HA TRP 30 HA TRP 30 9.744 2.138 5.946
212 HB2 TRP 30 2HB TRP 30 7.558 4.195 5.918
213 HB3 TRP 30 3HB TRP 30 9.233 4.686 6.159
214 HD1 TRP 30 HD1 TRP 30 6.843 3.398 3.498
215 HE1 TRP 30 HE1 TRP 30 7.991 3.546 1.199
216 HE3 TRP 30 HE3 TRP 30 11.573 4.591 5.028
217 HZ2 TRP 30 HZ2 TRP 30 10.562 4.096 0.170
218 HZ3 TRP 30 HZ3 TRP 30 13.318 4.911 3.323
219 HH2 TRP 30 HH2 TRP 30 12.821 4.668 0.945
220 H PHE 31 H PHE 31 11.121 3.154 7.467
221 HA PHE 31 HA PHE 31 10.028 3.652 10.130
222 HB2 PHE 31 2HB PHE 31 12.239 1.673 9.548
223 HB3 PHE 31 3HB PHE 31 11.839 2.265 11.157
224 HD1 PHE 31 HD1 PHE 31 10.725 0.184 8.354
225 HD2 PHE 31 HD2 PHE 31 9.883 1.500 12.313
226 HE1 PHE 31 HE1 PHE 31 9.043 -1.596 8.584
227 HE2 PHE 31 HE2 PHE 31 8.200 -0.279 12.550
228 HZ PHE 31 HZ PHE 31 7.778 -1.830 10.685
229 H HIS 32 H HIS 32 11.849 4.464 11.619
230 HA HIS 32 HA HIS 32 13.393 6.436 10.095
231 HB2 HIS 32 2HB HIS 32 12.364 6.346 12.917
232 HB3 HIS 32 3HB HIS 32 13.663 7.447 12.471
233 HD2 HIS 32 HD2 HIS 32 12.606 8.778 9.791
234 HE1 HIS 32 HE1 HIS 32 8.953 9.427 11.849
235 HE2 HIS 32 HE2 HIS 32 10.333 10.011 9.824
236 H GLY 33 H GLY 33 15.552 6.374 10.004
237 HA2 GLY 33 2HA GLY 33 17.048 4.171 10.748
238 HA3 GLY 33 3HA GLY 33 17.725 5.759 10.422
239 H ASP 34 H ASP 34 16.270 7.020 12.629
240 HA ASP 34 HA ASP 34 18.186 6.491 14.692
241 HB2 ASP 34 2HB ASP 34 16.116 8.500 14.145
242 HB3 ASP 34 3HB ASP 34 16.309 8.120 15.854
243 H CYS 35 H CYS 35 14.770 5.804 14.185
244 HA CYS 35 HA CYS 35 14.281 4.812 16.806
245 HB2 CYS 35 2HB CYS 35 12.810 4.491 14.191
246 HB3 CYS 35 3HB CYS 35 12.238 3.782 15.696
247 H VAL 36 H VAL 36 15.118 3.291 13.724
248 HA VAL 36 HA VAL 36 15.076 0.635 14.858
249 HB VAL 36 HB VAL 36 15.987 -0.057 12.637
250 HG11 VAL 36 1HG1 VAL 36 13.634 1.668 12.062
251 HG12 VAL 36 2HG1 VAL 36 13.922 -0.025 11.657
252 HG13 VAL 36 3HG1 VAL 36 13.478 0.426 13.303
253 HG21 VAL 36 3HG2 VAL 36 16.695 2.638 12.453
254 HG22 VAL 36 1HG2 VAL 36 16.851 1.405 11.201
255 HG23 VAL 36 2HG2 VAL 36 15.406 2.414 11.270
256 H GLY 37 H GLY 37 17.399 3.154 14.321
257 HA2 GLY 37 2HA GLY 37 19.424 3.129 15.647
258 HA3 GLY 37 3HA GLY 37 19.482 1.386 15.431
259 H ILE 38 H ILE 38 18.633 2.072 12.509
260 HA ILE 38 HA ILE 38 21.223 1.831 11.401
261 HB ILE 38 HB ILE 38 18.643 2.601 10.032
262 HG12 ILE 38 2HG1 ILE 38 18.591 0.409 11.205
263 HG13 ILE 38 3HG1 ILE 38 18.449 0.253 9.457
264 HG21 ILE 38 1HG2 ILE 38 20.048 1.418 8.106
265 HG22 ILE 38 2HG2 ILE 38 20.137 3.152 8.414
266 HG23 ILE 38 3HG2 ILE 38 21.386 2.079 9.045
267 HD11 ILE 38 3HD1 ILE 38 20.691 -0.495 9.263
268 HD12 ILE 38 1HD1 ILE 38 21.035 -0.095 10.945
269 HD13 ILE 38 2HD1 ILE 38 19.935 -1.419 10.561
270 H SER 39 H SER 39 22.639 3.304 10.678
271 HA SER 39 HA SER 39 22.080 6.103 11.193
272 HB2 SER 39 2HB SER 39 24.639 4.977 10.059
273 HB3 SER 39 3HB SER 39 24.413 6.470 10.970
274 HG SER 39 HG SER 39 23.740 4.028 12.169
275 H GLU 40 H GLU 40 22.351 7.774 9.644
276 HA GLU 40 HA GLU 40 21.067 7.415 7.229
277 HB2 GLU 40 2HB GLU 40 22.991 9.525 8.173
278 HB3 GLU 40 3HB GLU 40 22.274 9.595 6.570
279 HG2 GLU 40 2HG GLU 40 20.475 10.552 7.414
280 HG3 GLU 40 3HG GLU 40 20.185 9.134 8.419
281 H ALA 41 H ALA 41 24.497 7.181 7.967
282 HA ALA 41 HA ALA 41 25.315 6.927 5.231
283 HB1 ALA 41 1HB ALA 41 26.625 7.555 7.514
284 HB2 ALA 41 2HB ALA 41 27.111 5.872 7.305
285 HB3 ALA 41 3HB ALA 41 27.416 7.045 6.023
286 H ARG 42 H ARG 42 24.315 4.751 7.760
287 HA ARG 42 HA ARG 42 25.333 2.372 6.547
288 HB2 ARG 42 2HB ARG 42 23.364 2.917 8.755
289 HB3 ARG 42 3HB ARG 42 23.639 1.285 8.161
290 HG2 ARG 42 2HG ARG 42 26.035 2.853 8.890
291 HG3 ARG 42 3HG ARG 42 24.981 2.336 10.208
292 HD2 ARG 42 2HD ARG 42 25.537 0.168 9.969
293 HD3 ARG 42 3HD ARG 42 25.570 0.268 8.209
294 HE ARG 42 HE ARG 42 27.826 0.626 8.311
295 HH11 ARG 42 1HH1 ARG 42 26.445 1.185 11.458
296 HH12 ARG 42 2HH1 ARG 42 27.979 1.362 12.244
297 HH21 ARG 42 1HH2 ARG 42 29.852 0.856 9.335
298 HH22 ARG 42 2HH2 ARG 42 29.916 1.175 11.035
299 H GLY 43 H GLY 43 22.072 3.789 6.804
300 HA2 GLY 43 2HA GLY 43 20.800 1.831 5.209
301 HA3 GLY 43 3HA GLY 43 20.166 3.429 5.573
302 H ARG 44 H ARG 44 22.290 4.932 4.413
303 HA ARG 44 HA ARG 44 21.381 5.178 1.788
304 HB2 ARG 44 2HB ARG 44 22.556 6.963 3.025
305 HB3 ARG 44 3HB ARG 44 24.052 6.045 2.909
306 HG2 ARG 44 2HG ARG 44 24.345 7.465 1.162
307 HG3 ARG 44 3HG ARG 44 23.503 6.157 0.328
308 HD2 ARG 44 2HD ARG 44 21.369 7.512 1.042
309 HD3 ARG 44 3HD ARG 44 22.513 8.851 1.136
310 HE ARG 44 HE ARG 44 23.005 7.771 -1.300
311 HH11 ARG 44 1HH1 ARG 44 20.121 8.887 0.300
312 HH12 ARG 44 2HH1 ARG 44 19.336 9.366 -1.168
313 HH21 ARG 44 1HH2 ARG 44 21.981 8.397 -3.239
314 HH22 ARG 44 2HH2 ARG 44 20.394 9.086 -3.181
315 H LEU 45 H LEU 45 23.921 3.207 3.149
316 HA LEU 45 HA LEU 45 25.120 2.539 0.630
317 HB2 LEU 45 2HB LEU 45 26.375 2.500 2.740
318 HB3 LEU 45 3HB LEU 45 25.351 1.186 3.315
319 HG LEU 45 HG LEU 45 26.298 0.083 1.046
320 HD11 LEU 45 1HD1 LEU 45 28.377 0.760 0.434
321 HD12 LEU 45 2HD1 LEU 45 28.775 1.374 2.038
322 HD13 LEU 45 3HD1 LEU 45 27.735 2.313 0.968
323 HD21 LEU 45 3HD2 LEU 45 26.486 -1.217 2.920
324 HD22 LEU 45 1HD2 LEU 45 27.217 0.072 3.877
325 HD23 LEU 45 2HD2 LEU 45 28.179 -0.787 2.673
326 H LEU 46 H LEU 46 22.645 1.173 2.696
327 HA LEU 46 HA LEU 46 22.469 -1.398 1.662
328 HB2 LEU 46 2HB LEU 46 20.186 0.355 2.558
329 HB3 LEU 46 3HB LEU 46 20.167 -1.404 2.442
330 HG LEU 46 HG LEU 46 21.745 0.270 4.392
331 HD11 LEU 46 1HD1 LEU 46 20.221 -0.284 5.968
332 HD12 LEU 46 2HD1 LEU 46 19.861 -1.846 5.233
333 HD13 LEU 46 3HD1 LEU 46 19.156 -0.374 4.565
334 HD21 LEU 46 3HD2 LEU 46 23.198 -1.419 4.438
335 HD22 LEU 46 1HD2 LEU 46 22.173 -2.431 3.420
336 HD23 LEU 46 2HD2 LEU 46 21.909 -2.380 5.163
337 H GLU 47 H GLU 47 21.537 1.631 0.267
338 HA GLU 47 HA GLU 47 19.717 0.620 -1.669
339 HB2 GLU 47 2HB GLU 47 21.375 3.145 -1.794
340 HB3 GLU 47 3HB GLU 47 19.936 2.793 -2.741
341 HG2 GLU 47 2HG GLU 47 19.044 2.470 -0.175
342 HG3 GLU 47 3HG GLU 47 20.192 3.798 -0.019
343 H ARG 48 H ARG 48 23.180 0.884 -1.501
344 HA ARG 48 HA ARG 48 23.616 0.492 -4.315
345 HB2 ARG 48 2HB ARG 48 25.209 1.117 -2.003
346 HB3 ARG 48 3HB ARG 48 25.944 -0.214 -2.886
347 HG2 ARG 48 2HG ARG 48 26.727 1.177 -4.418
348 HG3 ARG 48 3HG ARG 48 25.108 1.807 -4.729
349 HD2 ARG 48 2HD ARG 48 25.331 3.461 -3.049
350 HD3 ARG 48 3HD ARG 48 26.784 2.704 -2.399
351 HE ARG 48 HE ARG 48 27.124 3.500 -5.115
352 HH11 ARG 48 1HH1 ARG 48 27.086 4.676 -1.838
353 HH12 ARG 48 2HH1 ARG 48 28.127 6.021 -2.171
354 HH21 ARG 48 1HH2 ARG 48 28.495 5.266 -5.565
355 HH22 ARG 48 2HH2 ARG 48 28.927 6.356 -4.291
356 H ASN 49 H ASN 49 24.017 -1.524 -1.408
357 HA ASN 49 HA ASN 49 24.661 -3.869 -2.920
358 HB2 ASN 49 2HB ASN 49 24.418 -5.026 -0.705
359 HB3 ASN 49 3HB ASN 49 25.555 -3.681 -0.696
360 HD21 ASN 49 1HD2 ASN 49 25.450 -2.972 1.333
361 HD22 ASN 49 2HD2 ASN 49 24.008 -2.454 2.132
362 H GLY 50 H GLY 50 21.761 -2.311 -1.999
363 HA2 GLY 50 2HA GLY 50 19.550 -2.856 -2.289
364 HA3 GLY 50 3HA GLY 50 20.112 -4.022 -3.478
365 H GLU 51 H GLU 51 21.033 -4.109 -0.097
366 HA GLU 51 HA GLU 51 20.021 -6.800 0.127
367 HB2 GLU 51 2HB GLU 51 21.515 -4.982 2.009
368 HB3 GLU 51 3HB GLU 51 20.924 -6.561 2.505
369 HG2 GLU 51 2HG GLU 51 22.865 -6.025 0.269
370 HG3 GLU 51 3HG GLU 51 23.267 -6.648 1.869
371 H ASP 52 H ASP 52 17.959 -7.187 0.556
372 HA ASP 52 HA ASP 52 16.053 -5.376 1.394
373 HB2 ASP 52 2HB ASP 52 14.771 -7.467 2.157
374 HB3 ASP 52 3HB ASP 52 15.255 -7.386 0.465
375 H TYR 53 H TYR 53 16.333 -4.143 3.160
376 HA TYR 53 HA TYR 53 17.456 -5.180 5.594
377 HB2 TYR 53 2HB TYR 53 17.983 -2.924 5.177
378 HB3 TYR 53 3HB TYR 53 16.318 -2.517 4.776
379 HD1 TYR 53 HD1 TYR 53 18.704 -3.096 7.495
380 HD2 TYR 53 HD2 TYR 53 14.686 -2.089 6.522
381 HE1 TYR 53 HE1 TYR 53 18.338 -2.344 9.808
382 HE2 TYR 53 HE2 TYR 53 14.310 -1.333 8.832
383 HH TYR 53 HH TYR 53 16.762 -1.756 11.326
384 H ILE 54 H ILE 54 16.418 -5.464 7.571
385 HA ILE 54 HA ILE 54 13.475 -5.498 7.494
386 HB ILE 54 HB ILE 54 15.237 -7.623 8.720
387 HG12 ILE 54 2HG1 ILE 54 13.349 -7.718 6.356
388 HG13 ILE 54 3HG1 ILE 54 15.107 -7.784 6.278
389 HG21 ILE 54 1HG2 ILE 54 12.505 -8.382 8.572
390 HG22 ILE 54 2HG2 ILE 54 13.516 -8.181 10.002
391 HG23 ILE 54 3HG2 ILE 54 12.600 -6.813 9.371
392 HD11 ILE 54 3HD1 ILE 54 13.287 -9.915 6.520
393 HD12 ILE 54 1HD1 ILE 54 15.049 -9.979 6.502
394 HD13 ILE 54 2HD1 ILE 54 14.187 -9.827 8.034
395 H CYS 55 H CYS 55 12.815 -4.009 8.896
396 HA CYS 55 HA CYS 55 14.223 -2.775 10.887
397 HB2 CYS 55 2HB CYS 55 12.036 -2.190 11.899
398 HB3 CYS 55 3HB CYS 55 12.060 -1.956 10.155
399 HA PRO 56 HA PRO 56 14.750 -5.546 14.246
400 HB2 PRO 56 2HB PRO 56 14.525 -3.871 16.371
401 HB3 PRO 56 3HB PRO 56 15.926 -3.873 15.293
402 HG2 PRO 56 2HG PRO 56 13.557 -2.043 15.318
403 HG3 PRO 56 3HG PRO 56 15.273 -1.649 15.106
404 HD2 PRO 56 2HD PRO 56 13.551 -1.822 13.024
405 HD3 PRO 56 3HD PRO 56 15.267 -2.253 12.882
406 H ASN 57 H ASN 57 11.806 -3.990 13.691
407 HA ASN 57 HA ASN 57 10.422 -5.011 16.010
408 HB2 ASN 57 2HB ASN 57 9.925 -3.003 14.120
409 HB3 ASN 57 3HB ASN 57 8.681 -4.216 13.836
410 HD21 ASN 57 1HD2 ASN 57 8.147 -1.650 14.770
411 HD22 ASN 57 2HD2 ASN 57 7.533 -1.765 16.381
412 H CYS 58 H CYS 58 10.670 -5.804 12.574
413 HA CYS 58 HA CYS 58 8.791 -7.965 12.730
414 HB2 CYS 58 2HB CYS 58 10.737 -7.053 10.616
415 HB3 CYS 58 3HB CYS 58 9.768 -8.509 10.425
416 H THR 59 H THR 59 12.321 -7.695 12.603
417 HA THR 59 HA THR 59 13.024 -10.352 12.411
418 HB THR 59 HB THR 59 14.607 -8.396 12.428
419 HG1 THR 59 HG1 THR 59 16.114 -9.848 12.765
420 HG21 THR 59 3HG2 THR 59 14.673 -8.721 15.412
421 HG22 THR 59 1HG2 THR 59 13.619 -7.534 14.646
422 HG23 THR 59 2HG2 THR 59 15.366 -7.437 14.422
423 H ILE 60 H ILE 60 11.747 -8.619 15.154
424 HA ILE 60 HA ILE 60 11.951 -11.081 16.763
425 HB ILE 60 HB ILE 60 11.886 -9.707 18.770
426 HG12 ILE 60 2HG1 ILE 60 12.440 -7.119 17.933
427 HG13 ILE 60 3HG1 ILE 60 11.156 -7.638 16.847
428 HG21 ILE 60 1HG2 ILE 60 14.030 -8.264 17.430
429 HG22 ILE 60 2HG2 ILE 60 14.103 -9.449 18.733
430 HG23 ILE 60 3HG2 ILE 60 14.018 -9.987 17.056
431 HD11 ILE 60 3HD1 ILE 60 9.618 -7.795 18.522
432 HD12 ILE 60 1HD1 ILE 60 10.831 -8.119 19.760
433 HD13 ILE 60 2HD1 ILE 60 10.623 -6.482 19.135
434 H LEU 61 H LEU 61 9.850 -10.125 14.834
435 HA LEU 61 HA LEU 61 7.559 -9.248 16.158
436 HB2 LEU 61 2HB LEU 61 7.574 -9.219 13.798
437 HB3 LEU 61 3HB LEU 61 7.950 -10.938 13.705
438 HG LEU 61 HG LEU 61 5.430 -10.505 15.046
439 HD11 LEU 61 1HD1 LEU 61 4.183 -9.360 13.509
440 HD12 LEU 61 2HD1 LEU 61 5.296 -9.699 12.185
441 HD13 LEU 61 3HD1 LEU 61 5.708 -8.481 13.392
442 HD21 LEU 61 3HD2 LEU 61 4.814 -11.880 12.854
443 HD22 LEU 61 1HD2 LEU 61 5.634 -12.616 14.232
444 HD23 LEU 61 2HD2 LEU 61 6.564 -12.105 12.823
Start of MODEL 11
1 H1 GLY 1 H GLY 1 0.834 -0.091 0.940
2 HA2 GLY 1 2HA GLY 1 0.528 0.014 -1.971
3 HA3 GLY 1 3HA GLY 1 -0.317 1.226 -1.019
4 H SER 2 H SER 2 1.250 2.367 -2.692
5 HA SER 2 HA SER 2 3.990 2.554 -2.094
6 HB2 SER 2 2HB SER 2 3.180 5.046 -3.135
7 HB3 SER 2 3HB SER 2 3.874 3.689 -4.023
8 HG SER 2 HG SER 2 2.009 3.522 -4.953
9 H MET 3 H MET 3 5.175 4.157 -0.994
10 HA MET 3 HA MET 3 3.990 5.012 1.456
11 HB2 MET 3 2HB MET 3 6.294 4.389 1.496
12 HB3 MET 3 3HB MET 3 6.687 5.513 0.202
13 HG2 MET 3 2HG MET 3 5.496 6.781 2.546
14 HG3 MET 3 3HG MET 3 7.030 5.976 2.865
15 HE1 MET 3 3HE MET 3 9.272 6.580 1.837
16 HE2 MET 3 1HE MET 3 9.609 8.301 1.644
17 HE3 MET 3 2HE MET 3 8.892 7.705 3.141
18 H ASP 4 H ASP 4 3.256 6.977 2.069
19 HA ASP 4 HA ASP 4 3.413 9.161 0.097
20 HB2 ASP 4 2HB ASP 4 1.077 7.907 1.327
21 HB3 ASP 4 3HB ASP 4 1.102 9.656 1.532
22 HA PRO 5 HA PRO 5 4.884 11.812 3.265
23 HB2 PRO 5 2HB PRO 5 3.627 14.152 2.705
24 HB3 PRO 5 3HB PRO 5 4.929 13.498 1.705
25 HG2 PRO 5 2HG PRO 5 1.968 13.366 1.285
26 HG3 PRO 5 3HG PRO 5 3.251 13.699 0.107
27 HD2 PRO 5 2HD PRO 5 2.073 11.271 0.331
28 HD3 PRO 5 3HD PRO 5 3.773 11.467 -0.143
29 H ASN 6 H ASN 6 1.367 11.892 2.816
30 HA ASN 6 HA ASN 6 0.994 12.719 5.591
31 HB2 ASN 6 2HB ASN 6 -1.153 12.188 3.534
32 HB3 ASN 6 3HB ASN 6 -1.297 13.111 5.027
33 HD21 ASN 6 1HD2 ASN 6 -0.786 13.269 1.736
34 HD22 ASN 6 2HD2 ASN 6 -0.225 14.900 1.633
35 H ALA 7 H ALA 7 2.124 10.188 5.290
36 HA ALA 7 HA ALA 7 -0.060 8.487 6.293
37 HB1 ALA 7 1HB ALA 7 1.367 6.564 5.292
38 HB2 ALA 7 2HB ALA 7 0.305 7.498 4.237
39 HB3 ALA 7 3HB ALA 7 2.037 7.833 4.266
40 H LEU 8 H LEU 8 0.833 6.574 7.552
41 HA LEU 8 HA LEU 8 3.249 7.346 9.045
42 HB2 LEU 8 2HB LEU 8 0.678 6.267 10.190
43 HB3 LEU 8 3HB LEU 8 2.165 6.524 11.100
44 HG LEU 8 HG LEU 8 0.442 8.652 9.831
45 HD11 LEU 8 1HD1 LEU 8 0.373 7.353 12.371
46 HD12 LEU 8 2HD1 LEU 8 -0.660 8.642 11.752
47 HD13 LEU 8 3HD1 LEU 8 0.837 9.040 12.594
48 HD21 LEU 8 3HD2 LEU 8 3.207 8.676 10.841
49 HD22 LEU 8 1HD2 LEU 8 2.168 9.972 11.432
50 HD23 LEU 8 2HD2 LEU 8 2.402 9.752 9.698
51 H TYR 9 H TYR 9 4.569 5.687 9.740
52 HA TYR 9 HA TYR 9 3.759 2.932 9.233
53 HB2 TYR 9 2HB TYR 9 6.372 3.929 8.114
54 HB3 TYR 9 3HB TYR 9 5.553 2.406 7.786
55 HD1 TYR 9 HD1 TYR 9 3.536 2.374 6.341
56 HD2 TYR 9 HD2 TYR 9 5.843 5.907 6.889
57 HE1 TYR 9 HE1 TYR 9 2.482 3.364 4.351
58 HE2 TYR 9 HE2 TYR 9 4.794 6.907 4.902
59 HH TYR 9 HH TYR 9 2.128 5.347 3.249
60 H CYS 10 H CYS 10 6.618 4.897 10.073
61 HA CYS 10 HA CYS 10 7.964 3.089 11.636
62 HB2 CYS 10 2HB CYS 10 8.769 5.369 10.995
63 HB3 CYS 10 3HB CYS 10 7.724 6.042 12.241
64 H ILE 11 H ILE 11 8.130 2.798 13.933
65 HA ILE 11 HA ILE 11 5.730 2.221 15.201
66 HB ILE 11 HB ILE 11 7.068 2.116 17.316
67 HG12 ILE 11 2HG1 ILE 11 9.296 3.018 15.477
68 HG13 ILE 11 3HG1 ILE 11 8.649 3.916 16.846
69 HG21 ILE 11 1HG2 ILE 11 7.725 0.059 16.733
70 HG22 ILE 11 2HG2 ILE 11 7.060 0.448 15.147
71 HG23 ILE 11 3HG2 ILE 11 8.784 0.659 15.456
72 HD11 ILE 11 3HD1 ILE 11 10.782 2.846 17.362
73 HD12 ILE 11 1HD1 ILE 11 9.475 2.228 18.372
74 HD13 ILE 11 2HD1 ILE 11 10.071 1.270 17.015
75 H CYS 12 H CYS 12 7.694 5.139 15.314
76 HA CYS 12 HA CYS 12 6.241 6.382 17.424
77 HB2 CYS 12 2HB CYS 12 7.466 8.396 16.833
78 HB3 CYS 12 3HB CYS 12 8.556 7.015 16.819
79 H ARG 13 H ARG 13 5.584 5.857 14.133
80 HA ARG 13 HA ARG 13 3.871 6.476 12.771
81 HB2 ARG 13 2HB ARG 13 2.623 7.713 15.228
82 HB3 ARG 13 3HB ARG 13 1.801 7.201 13.759
83 HG2 ARG 13 2HG ARG 13 3.138 5.427 15.789
84 HG3 ARG 13 3HG ARG 13 1.405 5.597 15.501
85 HD2 ARG 13 2HD ARG 13 2.525 4.973 13.015
86 HD3 ARG 13 3HD ARG 13 3.330 3.916 14.173
87 HE ARG 13 HE ARG 13 0.634 3.732 13.283
88 HH11 ARG 13 1HH1 ARG 13 2.702 3.212 16.035
89 HH12 ARG 13 2HH1 ARG 13 1.690 1.987 16.728
90 HH21 ARG 13 1HH2 ARG 13 -0.706 2.121 14.186
91 HH22 ARG 13 2HH2 ARG 13 -0.247 1.367 15.675
92 H GLN 14 H GLN 14 5.646 7.973 12.010
93 HA GLN 14 HA GLN 14 4.614 10.713 12.047
94 HB2 GLN 14 2HB GLN 14 7.366 9.825 12.808
95 HB3 GLN 14 3HB GLN 14 7.163 11.369 11.992
96 HG2 GLN 14 2HG GLN 14 5.380 10.884 14.284
97 HG3 GLN 14 3HG GLN 14 7.094 11.059 14.656
98 HE21 GLN 14 1HE2 GLN 14 4.366 12.717 14.616
99 HE22 GLN 14 2HE2 GLN 14 4.938 14.293 14.198
100 HA PRO 15 HA PRO 15 5.281 10.680 7.713
101 HB2 PRO 15 2HB PRO 15 6.040 13.241 7.227
102 HB3 PRO 15 3HB PRO 15 4.385 12.795 7.658
103 HG2 PRO 15 2HG PRO 15 6.560 13.903 9.390
104 HG3 PRO 15 3HG PRO 15 4.841 14.335 9.340
105 HD2 PRO 15 2HD PRO 15 5.878 12.697 11.230
106 HD3 PRO 15 3HD PRO 15 4.220 12.522 10.620
107 H HIS 16 H HIS 16 6.853 10.590 6.086
108 HA HIS 16 HA HIS 16 9.533 10.135 7.025
109 HB2 HIS 16 2HB HIS 16 9.962 9.185 4.931
110 HB3 HIS 16 3HB HIS 16 8.254 8.838 5.188
111 HD1 HIS 16 HD1 HIS 16 6.558 10.479 3.891
112 HD2 HIS 16 HD2 HIS 16 10.521 10.566 2.646
113 HE1 HIS 16 HE1 HIS 16 6.528 11.571 1.626
114 H ASN 17 H ASN 17 7.898 12.873 6.196
115 HA ASN 17 HA ASN 17 10.083 14.191 4.805
116 HB2 ASN 17 2HB ASN 17 8.492 16.202 5.013
117 HB3 ASN 17 3HB ASN 17 7.981 14.864 3.988
118 HD21 ASN 17 1HD2 ASN 17 7.781 15.910 7.373
119 HD22 ASN 17 2HD2 ASN 17 6.134 15.436 7.598
120 H ASN 18 H ASN 18 10.867 13.292 7.297
121 HA ASN 18 HA ASN 18 11.303 15.838 8.699
122 HB2 ASN 18 2HB ASN 18 10.231 13.289 9.792
123 HB3 ASN 18 3HB ASN 18 11.388 14.162 10.792
124 HD21 ASN 18 1HD2 ASN 18 8.539 14.838 8.784
125 HD22 ASN 18 2HD2 ASN 18 7.805 15.934 9.899
126 H ARG 19 H ARG 19 12.366 12.512 9.347
127 HA ARG 19 HA ARG 19 15.137 13.396 8.877
128 HB2 ARG 19 2HB ARG 19 14.281 11.339 10.913
129 HB3 ARG 19 3HB ARG 19 15.883 12.034 10.707
130 HG2 ARG 19 2HG ARG 19 15.397 13.673 12.109
131 HG3 ARG 19 3HG ARG 19 13.990 14.130 11.146
132 HD2 ARG 19 2HD ARG 19 14.037 11.934 13.213
133 HD3 ARG 19 3HD ARG 19 13.427 13.565 13.488
134 HE ARG 19 HE ARG 19 12.204 12.177 11.273
135 HH11 ARG 19 1HH1 ARG 19 12.085 12.861 14.684
136 HH12 ARG 19 2HH1 ARG 19 10.394 12.513 14.828
137 HH21 ARG 19 1HH2 ARG 19 9.977 11.716 11.449
138 HH22 ARG 19 2HH2 ARG 19 9.196 11.861 12.987
139 H PHE 20 H PHE 20 16.603 11.310 8.757
140 HA PHE 20 HA PHE 20 16.096 10.042 6.363
141 HB2 PHE 20 2HB PHE 20 18.316 10.045 7.297
142 HB3 PHE 20 3HB PHE 20 17.781 9.122 8.697
143 HD1 PHE 20 HD2 PHE 20 17.260 6.740 8.489
144 HD2 PHE 20 HD1 PHE 20 18.788 8.984 5.210
145 HE1 PHE 20 HE2 PHE 20 17.831 4.648 7.328
146 HE2 PHE 20 HE1 PHE 20 19.360 6.895 4.043
147 HZ PHE 20 HZ PHE 20 18.883 4.723 5.103
148 H MET 21 H MET 21 15.230 8.089 5.735
149 HA MET 21 HA MET 21 13.939 6.440 7.784
150 HB2 MET 21 2HB MET 21 12.606 7.867 5.523
151 HB3 MET 21 3HB MET 21 11.999 6.287 5.999
152 HG2 MET 21 2HG MET 21 12.133 7.454 8.406
153 HG3 MET 21 3HG MET 21 11.862 8.875 7.400
154 HE1 MET 21 3HE MET 21 9.029 5.389 8.200
155 HE2 MET 21 1HE MET 21 10.791 5.353 8.268
156 HE3 MET 21 2HE MET 21 9.881 6.270 9.469
157 H ILE 22 H ILE 22 13.751 4.271 7.273
158 HA ILE 22 HA ILE 22 15.148 3.442 4.814
159 HB ILE 22 HB ILE 22 16.255 2.848 6.986
160 HG12 ILE 22 2HG1 ILE 22 15.382 0.362 5.530
161 HG13 ILE 22 3HG1 ILE 22 16.413 1.560 4.755
162 HG21 ILE 22 1HG2 ILE 22 14.596 0.565 7.557
163 HG22 ILE 22 2HG2 ILE 22 15.151 1.847 8.633
164 HG23 ILE 22 3HG2 ILE 22 13.673 2.061 7.696
165 HD11 ILE 22 3HD1 ILE 22 17.699 -0.281 5.701
166 HD12 ILE 22 1HD1 ILE 22 18.091 1.252 6.480
167 HD13 ILE 22 2HD1 ILE 22 17.051 0.087 7.300
168 H CYS 23 H CYS 23 14.402 1.548 3.728
169 HA CYS 23 HA CYS 23 11.515 1.133 4.058
170 HB2 CYS 23 2HB CYS 23 12.071 1.902 1.858
171 HB3 CYS 23 3HB CYS 23 13.355 0.710 1.701
172 HG CYS 23 HG CYS 23 10.042 -0.115 1.921
173 H CYS 24 H CYS 24 10.784 -0.726 4.840
174 HA CYS 24 HA CYS 24 12.651 -2.980 5.063
175 HB2 CYS 24 2HB CYS 24 11.762 -2.277 7.188
176 HB3 CYS 24 3HB CYS 24 10.115 -2.322 6.569
177 H ASP 25 H ASP 25 12.429 -4.621 3.709
178 HA ASP 25 HA ASP 25 10.140 -4.841 1.991
179 HB2 ASP 25 2HB ASP 25 12.783 -6.167 2.233
180 HB3 ASP 25 3HB ASP 25 11.499 -7.107 1.478
181 H ARG 26 H ARG 26 11.161 -6.253 4.974
182 HA ARG 26 HA ARG 26 9.826 -8.682 4.974
183 HB2 ARG 26 2HB ARG 26 11.332 -7.410 6.781
184 HB3 ARG 26 3HB ARG 26 9.750 -7.071 7.471
185 HG2 ARG 26 2HG ARG 26 10.718 -9.835 6.786
186 HG3 ARG 26 3HG ARG 26 10.880 -9.097 8.380
187 HD2 ARG 26 2HD ARG 26 8.315 -8.698 8.146
188 HD3 ARG 26 3HD ARG 26 8.416 -9.975 6.935
189 HE ARG 26 HE ARG 26 9.675 -10.692 9.401
190 HH11 ARG 26 1HH1 ARG 26 6.623 -10.492 7.739
191 HH12 ARG 26 2HH1 ARG 26 5.873 -11.726 8.695
192 HH21 ARG 26 1HH2 ARG 26 8.699 -12.319 10.667
193 HH22 ARG 26 2HH2 ARG 26 7.054 -12.765 10.361
194 H CYS 27 H CYS 27 8.590 -5.701 6.500
195 HA CYS 27 HA CYS 27 5.873 -6.739 6.206
196 HB2 CYS 27 2HB CYS 27 5.261 -4.841 7.715
197 HB3 CYS 27 3HB CYS 27 6.411 -5.969 8.422
198 H GLU 28 H GLU 28 7.986 -4.776 4.550
199 HA GLU 28 HA GLU 28 7.743 -3.399 2.753
200 HB2 GLU 28 2HB GLU 28 5.742 -5.130 2.428
201 HB3 GLU 28 3HB GLU 28 4.780 -3.686 2.714
202 HG2 GLU 28 2HG GLU 28 5.316 -2.769 0.732
203 HG3 GLU 28 3HG GLU 28 6.964 -3.394 0.765
204 H GLU 29 H GLU 29 7.991 -2.124 5.082
205 HA GLU 29 HA GLU 29 6.225 0.193 4.746
206 HB2 GLU 29 2HB GLU 29 6.201 -1.568 6.984
207 HB3 GLU 29 3HB GLU 29 6.885 -0.037 7.511
208 HG2 GLU 29 2HG GLU 29 4.763 0.570 7.819
209 HG3 GLU 29 3HG GLU 29 4.742 0.805 6.072
210 H TRP 30 H TRP 30 7.224 1.851 6.644
211 HA TRP 30 HA TRP 30 10.081 2.058 5.948
212 HB2 TRP 30 2HB TRP 30 7.948 4.177 6.092
213 HB3 TRP 30 3HB TRP 30 9.654 4.587 6.250
214 HD1 TRP 30 HD1 TRP 30 7.082 3.404 3.690
215 HE1 TRP 30 HE1 TRP 30 8.088 3.644 1.333
216 HE3 TRP 30 HE3 TRP 30 11.884 4.594 4.976
217 HZ2 TRP 30 HZ2 TRP 30 10.588 4.256 0.173
218 HZ3 TRP 30 HZ3 TRP 30 13.522 4.990 3.183
219 HH2 TRP 30 HH2 TRP 30 12.885 4.824 0.832
220 H PHE 31 H PHE 31 11.473 2.997 7.515
221 HA PHE 31 HA PHE 31 10.417 3.439 10.189
222 HB2 PHE 31 2HB PHE 31 12.483 1.310 9.597
223 HB3 PHE 31 3HB PHE 31 12.034 1.859 11.208
224 HD1 PHE 31 HD2 PHE 31 10.920 0.007 8.244
225 HD2 PHE 31 HD1 PHE 31 9.990 1.162 12.234
226 HE1 PHE 31 HE2 PHE 31 9.109 -1.658 8.301
227 HE2 PHE 31 HE1 PHE 31 8.178 -0.502 12.297
228 HZ PHE 31 HZ PHE 31 7.735 -1.914 10.329
229 H HIS 32 H HIS 32 11.456 5.055 11.170
230 HA HIS 32 HA HIS 32 13.417 6.572 9.880
231 HB2 HIS 32 2HB HIS 32 12.457 6.488 12.732
232 HB3 HIS 32 3HB HIS 32 13.727 7.596 12.222
233 HD2 HIS 32 HD2 HIS 32 12.723 9.214 9.858
234 HE1 HIS 32 HE1 HIS 32 8.845 9.291 11.577
235 HE2 HIS 32 HE2 HIS 32 10.359 10.263 9.814
236 H GLY 33 H GLY 33 15.571 6.444 9.767
237 HA2 GLY 33 2HA GLY 33 17.008 4.194 10.491
238 HA3 GLY 33 3HA GLY 33 17.729 5.762 10.160
239 H ASP 34 H ASP 34 16.239 6.996 12.415
240 HA ASP 34 HA ASP 34 18.203 6.487 14.438
241 HB2 ASP 34 2HB ASP 34 16.441 8.587 13.800
242 HB3 ASP 34 3HB ASP 34 15.961 8.026 15.400
243 H CYS 35 H CYS 35 14.676 6.047 14.243
244 HA CYS 35 HA CYS 35 14.307 4.905 16.760
245 HB2 CYS 35 2HB CYS 35 12.772 4.431 14.198
246 HB3 CYS 35 3HB CYS 35 12.226 3.934 15.794
247 H VAL 36 H VAL 36 15.216 3.438 13.687
248 HA VAL 36 HA VAL 36 15.179 0.761 14.788
249 HB VAL 36 HB VAL 36 16.116 0.106 12.565
250 HG11 VAL 36 1HG1 VAL 36 14.069 0.466 11.345
251 HG12 VAL 36 2HG1 VAL 36 13.686 0.172 13.042
252 HG13 VAL 36 3HG1 VAL 36 13.637 1.814 12.397
253 HG21 VAL 36 3HG2 VAL 36 15.542 2.439 11.085
254 HG22 VAL 36 1HG2 VAL 36 16.609 2.914 12.406
255 HG23 VAL 36 2HG2 VAL 36 17.099 1.638 11.292
256 H GLY 37 H GLY 37 17.488 3.303 14.212
257 HA2 GLY 37 2HA GLY 37 19.513 3.339 15.529
258 HA3 GLY 37 3HA GLY 37 19.570 1.588 15.400
259 H ILE 38 H ILE 38 18.742 2.090 12.448
260 HA ILE 38 HA ILE 38 21.293 1.747 11.335
261 HB ILE 38 HB ILE 38 18.729 2.617 9.998
262 HG12 ILE 38 2HG1 ILE 38 18.656 0.404 11.110
263 HG13 ILE 38 3HG1 ILE 38 18.519 0.277 9.360
264 HG21 ILE 38 1HG2 ILE 38 21.447 2.107 8.947
265 HG22 ILE 38 2HG2 ILE 38 20.095 1.454 8.024
266 HG23 ILE 38 3HG2 ILE 38 20.183 3.184 8.353
267 HD11 ILE 38 3HD1 ILE 38 21.267 0.105 10.093
268 HD12 ILE 38 1HD1 ILE 38 20.329 -1.030 11.063
269 HD13 ILE 38 2HD1 ILE 38 20.246 -1.096 9.303
270 H SER 39 H SER 39 22.747 3.109 10.423
271 HA SER 39 HA SER 39 22.435 5.937 11.004
272 HB2 SER 39 2HB SER 39 24.862 5.080 9.576
273 HB3 SER 39 3HB SER 39 24.698 6.018 11.060
274 HG SER 39 HG SER 39 25.465 3.559 10.898
275 H GLU 40 H GLU 40 22.990 7.574 9.386
276 HA GLU 40 HA GLU 40 21.420 7.394 7.095
277 HB2 GLU 40 2HB GLU 40 21.996 9.548 7.971
278 HB3 GLU 40 3HB GLU 40 23.714 9.234 7.771
279 HG2 GLU 40 2HG GLU 40 23.556 9.378 5.411
280 HG3 GLU 40 3HG GLU 40 21.794 9.376 5.465
281 H ALA 41 H ALA 41 24.841 6.732 7.569
282 HA ALA 41 HA ALA 41 25.411 6.385 4.782
283 HB1 ALA 41 1HB ALA 41 27.513 5.234 5.818
284 HB2 ALA 41 2HB ALA 41 27.301 6.981 5.952
285 HB3 ALA 41 3HB ALA 41 26.914 5.938 7.320
286 H ARG 42 H ARG 42 25.046 4.148 7.531
287 HA ARG 42 HA ARG 42 25.400 1.768 6.128
288 HB2 ARG 42 2HB ARG 42 25.110 2.274 8.696
289 HB3 ARG 42 3HB ARG 42 23.422 1.907 8.365
290 HG2 ARG 42 2HG ARG 42 23.855 -0.255 8.507
291 HG3 ARG 42 3HG ARG 42 25.009 -0.122 7.178
292 HD2 ARG 42 2HD ARG 42 26.812 0.018 8.575
293 HD3 ARG 42 3HD ARG 42 25.883 0.765 9.874
294 HE ARG 42 HE ARG 42 24.967 -1.851 9.558
295 HH11 ARG 42 1HH1 ARG 42 27.855 -0.173 10.542
296 HH12 ARG 42 2HH1 ARG 42 28.378 -1.432 11.612
297 HH21 ARG 42 1HH2 ARG 42 25.646 -3.515 10.963
298 HH22 ARG 42 2HH2 ARG 42 27.121 -3.332 11.849
299 H GLY 43 H GLY 43 22.379 3.500 6.879
300 HA2 GLY 43 2HA GLY 43 20.622 1.712 5.633
301 HA3 GLY 43 3HA GLY 43 20.307 3.421 5.897
302 H ARG 44 H ARG 44 22.199 4.614 4.314
303 HA ARG 44 HA ARG 44 21.012 4.429 1.758
304 HB2 ARG 44 2HB ARG 44 23.341 5.898 2.914
305 HB3 ARG 44 3HB ARG 44 23.181 5.820 1.164
306 HG2 ARG 44 2HG ARG 44 20.655 6.526 2.248
307 HG3 ARG 44 3HG ARG 44 21.885 7.556 2.983
308 HD2 ARG 44 2HD ARG 44 21.786 7.088 0.020
309 HD3 ARG 44 3HD ARG 44 20.807 8.337 0.789
310 HE ARG 44 HE ARG 44 23.644 8.392 0.333
311 HH11 ARG 44 1HH1 ARG 44 21.033 9.621 2.280
312 HH12 ARG 44 2HH1 ARG 44 21.875 11.066 2.731
313 HH21 ARG 44 1HH2 ARG 44 24.764 10.291 0.919
314 HH22 ARG 44 2HH2 ARG 44 23.997 11.447 1.955
315 H LEU 45 H LEU 45 23.799 2.920 3.199
316 HA LEU 45 HA LEU 45 25.137 2.125 0.855
317 HB2 LEU 45 2HB LEU 45 26.132 2.072 3.101
318 HB3 LEU 45 3HB LEU 45 25.049 0.752 3.538
319 HG LEU 45 HG LEU 45 26.199 -0.448 1.505
320 HD11 LEU 45 1HD1 LEU 45 28.282 1.571 2.328
321 HD12 LEU 45 2HD1 LEU 45 27.484 1.477 0.758
322 HD13 LEU 45 3HD1 LEU 45 28.554 0.177 1.282
323 HD21 LEU 45 3HD2 LEU 45 28.031 -1.179 3.132
324 HD22 LEU 45 1HD2 LEU 45 26.355 -1.415 3.630
325 HD23 LEU 45 2HD2 LEU 45 27.285 -0.063 4.277
326 H LEU 46 H LEU 46 22.809 0.371 2.900
327 HA LEU 46 HA LEU 46 22.710 -1.975 1.378
328 HB2 LEU 46 2HB LEU 46 20.508 -0.736 3.022
329 HB3 LEU 46 3HB LEU 46 20.591 -2.417 2.498
330 HG LEU 46 HG LEU 46 22.930 -1.614 4.030
331 HD11 LEU 46 1HD1 LEU 46 21.001 -0.202 4.996
332 HD12 LEU 46 2HD1 LEU 46 21.981 -1.167 6.099
333 HD13 LEU 46 3HD1 LEU 46 20.388 -1.739 5.606
334 HD21 LEU 46 3HD2 LEU 46 22.194 -3.656 5.325
335 HD22 LEU 46 1HD2 LEU 46 22.541 -3.907 3.614
336 HD23 LEU 46 2HD2 LEU 46 20.870 -3.802 4.168
337 H GLU 47 H GLU 47 21.244 1.131 0.892
338 HA GLU 47 HA GLU 47 19.217 0.294 -0.925
339 HB2 GLU 47 2HB GLU 47 20.147 2.767 0.219
340 HB3 GLU 47 3HB GLU 47 19.920 2.960 -1.514
341 HG2 GLU 47 2HG GLU 47 17.778 1.646 0.077
342 HG3 GLU 47 3HG GLU 47 17.962 3.397 0.167
343 H ARG 48 H ARG 48 22.558 1.334 -1.265
344 HA ARG 48 HA ARG 48 22.454 1.431 -4.138
345 HB2 ARG 48 2HB ARG 48 24.390 2.050 -2.045
346 HB3 ARG 48 3HB ARG 48 25.128 1.263 -3.433
347 HG2 ARG 48 2HG ARG 48 25.252 3.622 -3.751
348 HG3 ARG 48 3HG ARG 48 24.069 2.976 -4.890
349 HD2 ARG 48 2HD ARG 48 22.808 4.679 -4.114
350 HD3 ARG 48 3HD ARG 48 22.454 3.538 -2.817
351 HE ARG 48 HE ARG 48 23.556 4.921 -1.381
352 HH11 ARG 48 1HH1 ARG 48 24.596 5.637 -4.625
353 HH12 ARG 48 2HH1 ARG 48 25.564 6.995 -4.154
354 HH21 ARG 48 1HH2 ARG 48 24.827 6.706 -0.749
355 HH22 ARG 48 2HH2 ARG 48 25.695 7.601 -1.949
356 H ASN 49 H ASN 49 23.632 -0.832 -1.693
357 HA ASN 49 HA ASN 49 24.700 -2.672 -3.617
358 HB2 ASN 49 2HB ASN 49 24.270 -2.726 -0.647
359 HB3 ASN 49 3HB ASN 49 24.686 -4.206 -1.505
360 HD21 ASN 49 1HD2 ASN 49 26.147 -2.546 0.482
361 HD22 ASN 49 2HD2 ASN 49 27.675 -2.212 -0.253
362 H GLY 50 H GLY 50 21.615 -2.099 -2.188
363 HA2 GLY 50 2HA GLY 50 19.574 -2.999 -2.837
364 HA3 GLY 50 3HA GLY 50 20.436 -4.159 -3.837
365 H GLU 51 H GLU 51 20.936 -3.599 -0.390
366 HA GLU 51 HA GLU 51 20.438 -6.422 0.102
367 HB2 GLU 51 2HB GLU 51 21.741 -4.199 1.605
368 HB3 GLU 51 3HB GLU 51 21.106 -5.560 2.519
369 HG2 GLU 51 2HG GLU 51 22.796 -6.200 0.182
370 HG3 GLU 51 3HG GLU 51 23.596 -5.470 1.574
371 H ASP 52 H ASP 52 18.514 -7.138 0.697
372 HA ASP 52 HA ASP 52 16.341 -5.448 1.318
373 HB2 ASP 52 2HB ASP 52 16.783 -8.417 1.478
374 HB3 ASP 52 3HB ASP 52 15.296 -7.697 2.089
375 H TYR 53 H TYR 53 16.768 -4.140 3.065
376 HA TYR 53 HA TYR 53 17.754 -5.163 5.549
377 HB2 TYR 53 2HB TYR 53 18.284 -2.906 5.122
378 HB3 TYR 53 3HB TYR 53 16.627 -2.509 4.681
379 HD1 TYR 53 HD1 TYR 53 14.943 -2.112 6.395
380 HD2 TYR 53 HD2 TYR 53 18.962 -3.029 7.447
381 HE1 TYR 53 HE1 TYR 53 14.510 -1.348 8.692
382 HE2 TYR 53 HE2 TYR 53 18.540 -2.268 9.747
383 HH TYR 53 HH TYR 53 16.959 -1.652 11.222
384 H ILE 54 H ILE 54 16.651 -5.443 7.488
385 HA ILE 54 HA ILE 54 13.712 -5.478 7.317
386 HB ILE 54 HB ILE 54 15.455 -7.612 8.555
387 HG12 ILE 54 2HG1 ILE 54 13.538 -7.675 6.214
388 HG13 ILE 54 3HG1 ILE 54 15.292 -7.784 6.122
389 HG21 ILE 54 1HG2 ILE 54 13.502 -7.201 9.937
390 HG22 ILE 54 2HG2 ILE 54 12.452 -7.340 8.527
391 HG23 ILE 54 3HG2 ILE 54 13.346 -8.747 9.103
392 HD11 ILE 54 3HD1 ILE 54 15.213 -9.897 7.354
393 HD12 ILE 54 1HD1 ILE 54 13.453 -9.790 7.405
394 HD13 ILE 54 2HD1 ILE 54 14.283 -9.963 5.857
395 H CYS 55 H CYS 55 12.994 -4.008 8.706
396 HA CYS 55 HA CYS 55 14.335 -2.756 10.731
397 HB2 CYS 55 2HB CYS 55 12.125 -2.184 11.681
398 HB3 CYS 55 3HB CYS 55 12.173 -1.978 9.935
399 HA PRO 56 HA PRO 56 14.808 -5.512 14.110
400 HB2 PRO 56 2HB PRO 56 14.484 -3.845 16.228
401 HB3 PRO 56 3HB PRO 56 15.917 -3.817 15.194
402 HG2 PRO 56 2HG PRO 56 13.512 -2.035 15.145
403 HG3 PRO 56 3HG PRO 56 15.226 -1.607 14.987
404 HD2 PRO 56 2HD PRO 56 13.572 -1.813 12.853
405 HD3 PRO 56 3HD PRO 56 15.300 -2.209 12.763
406 H ASN 57 H ASN 57 11.851 -4.028 13.455
407 HA ASN 57 HA ASN 57 10.415 -5.067 15.734
408 HB2 ASN 57 2HB ASN 57 9.936 -3.080 13.819
409 HB3 ASN 57 3HB ASN 57 8.732 -4.324 13.497
410 HD21 ASN 57 1HD2 ASN 57 8.118 -1.760 14.407
411 HD22 ASN 57 2HD2 ASN 57 7.445 -1.888 15.993
412 H CYS 58 H CYS 58 10.767 -5.861 12.304
413 HA CYS 58 HA CYS 58 8.953 -8.080 12.434
414 HB2 CYS 58 2HB CYS 58 10.915 -7.147 10.339
415 HB3 CYS 58 3HB CYS 58 9.923 -8.587 10.140
416 H THR 59 H THR 59 12.471 -7.688 12.368
417 HA THR 59 HA THR 59 13.281 -10.311 12.166
418 HB THR 59 HB THR 59 14.776 -8.279 12.268
419 HG1 THR 59 HG1 THR 59 15.817 -10.223 12.287
420 HG21 THR 59 3HG2 THR 59 15.519 -7.436 14.358
421 HG22 THR 59 1HG2 THR 59 14.691 -8.712 15.249
422 HG23 THR 59 2HG2 THR 59 13.758 -7.455 14.438
423 H ILE 60 H ILE 60 11.867 -8.672 14.901
424 HA ILE 60 HA ILE 60 12.271 -11.063 16.564
425 HB ILE 60 HB ILE 60 11.712 -9.674 18.487
426 HG12 ILE 60 2HG1 ILE 60 11.785 -7.066 17.739
427 HG13 ILE 60 3HG1 ILE 60 10.945 -7.768 16.361
428 HG21 ILE 60 1HG2 ILE 60 14.045 -9.684 17.179
429 HG22 ILE 60 2HG2 ILE 60 13.690 -7.959 17.117
430 HG23 ILE 60 3HG2 ILE 60 13.785 -8.783 18.673
431 HD11 ILE 60 3HD1 ILE 60 9.192 -7.230 17.718
432 HD12 ILE 60 1HD1 ILE 60 9.489 -8.895 18.218
433 HD13 ILE 60 2HD1 ILE 60 10.092 -7.558 19.199
434 H LEU 61 H LEU 61 9.893 -9.145 14.953
435 HA LEU 61 HA LEU 61 7.781 -10.870 16.066
436 HB2 LEU 61 2HB LEU 61 7.885 -8.272 16.592
437 HB3 LEU 61 3HB LEU 61 7.100 -8.176 15.017
438 HG LEU 61 HG LEU 61 5.282 -9.609 15.859
439 HD11 LEU 61 1HD1 LEU 61 7.129 -9.961 18.051
440 HD12 LEU 61 2HD1 LEU 61 5.690 -10.887 17.629
441 HD13 LEU 61 3HD1 LEU 61 5.544 -9.434 18.617
442 HD21 LEU 61 3HD2 LEU 61 4.237 -7.942 17.271
443 HD22 LEU 61 1HD2 LEU 61 5.123 -7.155 15.966
444 HD23 LEU 61 2HD2 LEU 61 5.803 -7.196 17.593
Start of MODEL 12
1 H1 GLY 1 H GLY 1 1.067 -1.963 -2.829
2 HA2 GLY 1 2HA GLY 1 0.160 0.155 -2.987
3 HA3 GLY 1 3HA GLY 1 0.341 0.315 -1.247
4 H SER 2 H SER 2 1.128 2.412 -1.348
5 HA SER 2 HA SER 2 3.947 2.601 -2.043
6 HB2 SER 2 2HB SER 2 2.029 3.541 -3.834
7 HB3 SER 2 3HB SER 2 2.562 4.984 -2.973
8 HG SER 2 HG SER 2 4.689 4.483 -3.550
9 H MET 3 H MET 3 5.042 4.299 -0.989
10 HA MET 3 HA MET 3 3.840 5.072 1.507
11 HB2 MET 3 2HB MET 3 6.145 4.460 1.574
12 HB3 MET 3 3HB MET 3 6.547 5.581 0.280
13 HG2 MET 3 2HG MET 3 5.326 6.870 2.590
14 HG3 MET 3 3HG MET 3 6.842 6.049 2.957
15 HE1 MET 3 3HE MET 3 9.202 6.690 1.804
16 HE2 MET 3 1HE MET 3 9.434 8.435 1.928
17 HE3 MET 3 2HE MET 3 8.694 7.547 3.261
18 H ASP 4 H ASP 4 3.126 7.049 2.128
19 HA ASP 4 HA ASP 4 3.308 9.238 0.167
20 HB2 ASP 4 2HB ASP 4 0.929 7.987 1.356
21 HB3 ASP 4 3HB ASP 4 0.945 9.745 1.458
22 HA PRO 5 HA PRO 5 4.636 11.867 3.415
23 HB2 PRO 5 2HB PRO 5 3.388 14.205 2.828
24 HB3 PRO 5 3HB PRO 5 4.732 13.568 1.874
25 HG2 PRO 5 2HG PRO 5 1.791 13.423 1.336
26 HG3 PRO 5 3HG PRO 5 3.118 13.774 0.213
27 HD2 PRO 5 2HD PRO 5 1.947 11.337 0.368
28 HD3 PRO 5 3HD PRO 5 3.663 11.548 -0.037
29 H ASN 6 H ASN 6 1.140 11.911 2.831
30 HA ASN 6 HA ASN 6 0.642 12.740 5.583
31 HB2 ASN 6 2HB ASN 6 -1.756 12.771 4.849
32 HB3 ASN 6 3HB ASN 6 -0.709 13.848 3.930
33 HD21 ASN 6 1HD2 ASN 6 -1.264 13.878 1.886
34 HD22 ASN 6 2HD2 ASN 6 -1.767 12.521 0.942
35 H ALA 7 H ALA 7 1.851 10.262 5.422
36 HA ALA 7 HA ALA 7 -0.303 8.531 6.415
37 HB1 ALA 7 1HB ALA 7 1.807 7.781 4.409
38 HB2 ALA 7 2HB ALA 7 0.926 6.584 5.358
39 HB3 ALA 7 3HB ALA 7 0.055 7.651 4.257
40 H LEU 8 H LEU 8 0.641 6.614 7.637
41 HA LEU 8 HA LEU 8 3.102 7.397 9.048
42 HB2 LEU 8 2HB LEU 8 0.561 6.316 10.255
43 HB3 LEU 8 3HB LEU 8 2.080 6.514 11.127
44 HG LEU 8 HG LEU 8 0.329 8.693 10.000
45 HD11 LEU 8 1HD1 LEU 8 -0.579 8.766 12.018
46 HD12 LEU 8 2HD1 LEU 8 1.011 8.965 12.754
47 HD13 LEU 8 3HD1 LEU 8 0.362 7.348 12.480
48 HD21 LEU 8 3HD2 LEU 8 3.169 8.673 10.727
49 HD22 LEU 8 1HD2 LEU 8 2.221 9.944 11.500
50 HD23 LEU 8 2HD2 LEU 8 2.254 9.815 9.741
51 H TYR 9 H TYR 9 4.437 5.733 9.746
52 HA TYR 9 HA TYR 9 3.645 2.981 9.203
53 HB2 TYR 9 2HB TYR 9 6.236 4.022 8.071
54 HB3 TYR 9 3HB TYR 9 5.439 2.488 7.739
55 HD1 TYR 9 HD1 TYR 9 3.428 2.424 6.299
56 HD2 TYR 9 HD2 TYR 9 5.642 6.010 6.881
57 HE1 TYR 9 HE1 TYR 9 2.336 3.411 4.328
58 HE2 TYR 9 HE2 TYR 9 4.557 7.008 4.913
59 HH TYR 9 HH TYR 9 2.076 5.241 3.090
60 H CYS 10 H CYS 10 6.478 4.973 10.062
61 HA CYS 10 HA CYS 10 7.858 3.148 11.584
62 HB2 CYS 10 2HB CYS 10 8.636 5.445 10.964
63 HB3 CYS 10 3HB CYS 10 7.602 6.089 12.233
64 H ILE 11 H ILE 11 8.050 2.844 13.882
65 HA ILE 11 HA ILE 11 5.661 2.229 15.159
66 HB ILE 11 HB ILE 11 7.003 2.076 17.253
67 HG12 ILE 11 2HG1 ILE 11 9.224 3.092 15.465
68 HG13 ILE 11 3HG1 ILE 11 8.536 3.938 16.847
69 HG21 ILE 11 1HG2 ILE 11 7.701 0.056 16.602
70 HG22 ILE 11 2HG2 ILE 11 7.070 0.491 15.015
71 HG23 ILE 11 3HG2 ILE 11 8.780 0.725 15.379
72 HD11 ILE 11 3HD1 ILE 11 10.007 2.968 18.174
73 HD12 ILE 11 1HD1 ILE 11 9.397 1.379 17.714
74 HD13 ILE 11 2HD1 ILE 11 10.699 2.126 16.788
75 H CYS 12 H CYS 12 7.577 5.171 15.242
76 HA CYS 12 HA CYS 12 6.130 6.376 17.392
77 HB2 CYS 12 2HB CYS 12 7.353 8.400 16.832
78 HB3 CYS 12 3HB CYS 12 8.446 7.022 16.807
79 H ARG 13 H ARG 13 5.450 5.850 14.120
80 HA ARG 13 HA ARG 13 3.751 6.494 12.752
81 HB2 ARG 13 2HB ARG 13 2.711 6.989 15.473
82 HB3 ARG 13 3HB ARG 13 1.876 7.835 14.177
83 HG2 ARG 13 2HG ARG 13 0.837 5.682 14.725
84 HG3 ARG 13 3HG ARG 13 1.412 5.748 13.058
85 HD2 ARG 13 2HD ARG 13 3.052 4.210 13.418
86 HD3 ARG 13 3HD ARG 13 3.279 4.687 15.100
87 HE ARG 13 HE ARG 13 1.469 2.685 14.087
88 HH11 ARG 13 1HH1 ARG 13 2.219 4.830 16.725
89 HH12 ARG 13 2HH1 ARG 13 1.353 3.897 17.901
90 HH21 ARG 13 1HH2 ARG 13 0.326 1.449 15.626
91 HH22 ARG 13 2HH2 ARG 13 0.278 1.974 17.275
92 H GLN 14 H GLN 14 5.514 7.999 11.995
93 HA GLN 14 HA GLN 14 4.485 10.741 12.075
94 HB2 GLN 14 2HB GLN 14 7.238 9.833 12.799
95 HB3 GLN 14 3HB GLN 14 7.044 11.380 11.984
96 HG2 GLN 14 2HG GLN 14 5.221 11.716 13.880
97 HG3 GLN 14 3HG GLN 14 6.253 10.556 14.715
98 HE21 GLN 14 1HE2 GLN 14 6.313 13.627 12.976
99 HE22 GLN 14 2HE2 GLN 14 7.636 14.305 13.856
100 HA PRO 15 HA PRO 15 5.093 10.765 7.732
101 HB2 PRO 15 2HB PRO 15 5.865 13.326 7.269
102 HB3 PRO 15 3HB PRO 15 4.213 12.887 7.719
103 HG2 PRO 15 2HG PRO 15 6.422 13.955 9.433
104 HG3 PRO 15 3HG PRO 15 4.706 14.401 9.414
105 HD2 PRO 15 2HD PRO 15 5.756 12.729 11.267
106 HD3 PRO 15 3HD PRO 15 4.088 12.576 10.679
107 H HIS 16 H HIS 16 6.640 10.680 6.083
108 HA HIS 16 HA HIS 16 9.330 10.194 6.977
109 HB2 HIS 16 2HB HIS 16 9.726 9.281 4.854
110 HB3 HIS 16 3HB HIS 16 8.029 8.918 5.152
111 HD1 HIS 16 HD1 HIS 16 6.271 10.357 3.817
112 HD2 HIS 16 HD2 HIS 16 10.228 10.900 2.675
113 HE1 HIS 16 HE1 HIS 16 6.174 11.527 1.594
114 H ASN 17 H ASN 17 7.705 12.954 6.204
115 HA ASN 17 HA ASN 17 9.879 14.272 4.798
116 HB2 ASN 17 2HB ASN 17 8.307 16.293 5.051
117 HB3 ASN 17 3HB ASN 17 7.772 14.970 4.019
118 HD21 ASN 17 1HD2 ASN 17 7.627 15.979 7.417
119 HD22 ASN 17 2HD2 ASN 17 5.981 15.515 7.660
120 H ASN 18 H ASN 18 10.695 13.339 7.265
121 HA ASN 18 HA ASN 18 11.117 15.860 8.723
122 HB2 ASN 18 2HB ASN 18 10.084 13.286 9.725
123 HB3 ASN 18 3HB ASN 18 11.361 14.002 10.704
124 HD21 ASN 18 1HD2 ASN 18 8.406 13.622 11.078
125 HD22 ASN 18 2HD2 ASN 18 7.825 15.185 11.530
126 H ARG 19 H ARG 19 12.341 12.588 9.306
127 HA ARG 19 HA ARG 19 15.048 13.569 8.678
128 HB2 ARG 19 2HB ARG 19 14.412 11.518 10.797
129 HB3 ARG 19 3HB ARG 19 15.946 12.328 10.508
130 HG2 ARG 19 2HG ARG 19 15.357 13.744 12.111
131 HG3 ARG 19 3HG ARG 19 14.189 14.407 10.967
132 HD2 ARG 19 2HD ARG 19 12.942 13.927 12.896
133 HD3 ARG 19 3HD ARG 19 12.599 12.598 11.789
134 HE ARG 19 HE ARG 19 14.768 11.917 13.457
135 HH11 ARG 19 1HH1 ARG 19 11.318 12.373 13.540
136 HH12 ARG 19 2HH1 ARG 19 11.071 11.263 14.847
137 HH21 ARG 19 1HH2 ARG 19 14.457 10.453 15.178
138 HH22 ARG 19 2HH2 ARG 19 12.858 10.172 15.778
139 H PHE 20 H PHE 20 16.542 11.403 8.714
140 HA PHE 20 HA PHE 20 16.087 10.113 6.319
141 HB2 PHE 20 2HB PHE 20 18.271 10.090 7.358
142 HB3 PHE 20 3HB PHE 20 17.658 9.159 8.720
143 HD1 PHE 20 HD2 PHE 20 18.682 9.047 5.214
144 HD2 PHE 20 HD1 PHE 20 17.235 6.792 8.521
145 HE1 PHE 20 HE2 PHE 20 19.265 6.963 4.044
146 HE2 PHE 20 HE1 PHE 20 17.817 4.704 7.356
147 HZ PHE 20 HZ PHE 20 18.833 4.788 5.114
148 H MET 21 H MET 21 15.301 8.084 5.723
149 HA MET 21 HA MET 21 13.886 6.513 7.736
150 HB2 MET 21 2HB MET 21 12.617 8.015 5.501
151 HB3 MET 21 3HB MET 21 11.993 6.411 5.861
152 HG2 MET 21 2HG MET 21 12.037 7.419 8.334
153 HG3 MET 21 3HG MET 21 11.825 8.909 7.418
154 HE1 MET 21 3HE MET 21 10.542 5.425 8.263
155 HE2 MET 21 1HE MET 21 9.777 6.531 9.405
156 HE3 MET 21 2HE MET 21 8.792 5.650 8.237
157 H ILE 22 H ILE 22 13.644 4.348 7.212
158 HA ILE 22 HA ILE 22 15.040 3.491 4.762
159 HB ILE 22 HB ILE 22 16.166 2.905 6.926
160 HG12 ILE 22 2HG1 ILE 22 15.262 0.405 5.518
161 HG13 ILE 22 3HG1 ILE 22 16.271 1.591 4.699
162 HG21 ILE 22 1HG2 ILE 22 14.498 0.642 7.539
163 HG22 ILE 22 2HG2 ILE 22 15.069 1.932 8.595
164 HG23 ILE 22 3HG2 ILE 22 13.583 2.144 7.669
165 HD11 ILE 22 3HD1 ILE 22 16.964 0.125 7.233
166 HD12 ILE 22 1HD1 ILE 22 17.609 -0.202 5.624
167 HD13 ILE 22 2HD1 ILE 22 17.975 1.325 6.428
168 H CYS 23 H CYS 23 14.263 1.618 3.679
169 HA CYS 23 HA CYS 23 11.380 1.209 4.057
170 HB2 CYS 23 2HB CYS 23 11.916 1.991 1.850
171 HB3 CYS 23 3HB CYS 23 13.175 0.776 1.666
172 HG CYS 23 HG CYS 23 9.860 -0.011 1.961
173 H CYS 24 H CYS 24 10.638 -0.664 4.802
174 HA CYS 24 HA CYS 24 12.509 -2.918 5.002
175 HB2 CYS 24 2HB CYS 24 11.647 -2.226 7.142
176 HB3 CYS 24 3HB CYS 24 9.993 -2.265 6.543
177 H ASP 25 H ASP 25 12.270 -4.541 3.629
178 HA ASP 25 HA ASP 25 9.953 -4.749 1.946
179 HB2 ASP 25 2HB ASP 25 12.605 -6.064 2.129
180 HB3 ASP 25 3HB ASP 25 11.312 -7.008 1.393
181 H ARG 26 H ARG 26 11.020 -6.182 4.901
182 HA ARG 26 HA ARG 26 9.693 -8.616 4.897
183 HB2 ARG 26 2HB ARG 26 11.220 -7.345 6.694
184 HB3 ARG 26 3HB ARG 26 9.645 -7.041 7.414
185 HG2 ARG 26 2HG ARG 26 10.752 -9.755 6.724
186 HG3 ARG 26 3HG ARG 26 10.714 -9.037 8.336
187 HD2 ARG 26 2HD ARG 26 8.169 -8.806 7.895
188 HD3 ARG 26 3HD ARG 26 8.448 -10.016 6.643
189 HE ARG 26 HE ARG 26 9.506 -10.729 9.223
190 HH11 ARG 26 1HH1 ARG 26 6.721 -10.802 7.135
191 HH12 ARG 26 2HH1 ARG 26 6.001 -12.165 7.927
192 HH21 ARG 26 1HH2 ARG 26 8.568 -12.524 10.273
193 HH22 ARG 26 2HH2 ARG 26 7.052 -13.143 9.712
194 H CYS 27 H CYS 27 8.475 -5.650 6.467
195 HA CYS 27 HA CYS 27 5.755 -6.692 6.206
196 HB2 CYS 27 2HB CYS 27 5.162 -4.819 7.748
197 HB3 CYS 27 3HB CYS 27 6.333 -5.946 8.423
198 H GLU 28 H GLU 28 7.838 -4.710 4.538
199 HA GLU 28 HA GLU 28 7.567 -3.309 2.764
200 HB2 GLU 28 2HB GLU 28 5.597 -5.043 2.410
201 HB3 GLU 28 3HB GLU 28 4.601 -3.644 2.788
202 HG2 GLU 28 2HG GLU 28 5.459 -2.429 0.937
203 HG3 GLU 28 3HG GLU 28 6.705 -3.641 0.643
204 H GLU 29 H GLU 29 7.879 -2.031 5.054
205 HA GLU 29 HA GLU 29 6.090 0.274 4.787
206 HB2 GLU 29 2HB GLU 29 6.114 -1.507 7.014
207 HB3 GLU 29 3HB GLU 29 6.784 0.031 7.538
208 HG2 GLU 29 2HG GLU 29 4.672 0.646 7.857
209 HG3 GLU 29 3HG GLU 29 4.596 0.816 6.104
210 H TRP 30 H TRP 30 7.110 1.924 6.671
211 HA TRP 30 HA TRP 30 9.959 2.137 5.943
212 HB2 TRP 30 2HB TRP 30 7.821 4.247 6.114
213 HB3 TRP 30 3HB TRP 30 9.524 4.667 6.273
214 HD1 TRP 30 HD1 TRP 30 6.949 3.516 3.707
215 HE1 TRP 30 HE1 TRP 30 7.954 3.768 1.351
216 HE3 TRP 30 HE3 TRP 30 11.763 4.655 4.996
217 HZ2 TRP 30 HZ2 TRP 30 10.457 4.369 0.192
218 HZ3 TRP 30 HZ3 TRP 30 13.401 5.053 3.204
219 HH2 TRP 30 HH2 TRP 30 12.760 4.912 0.852
220 H PHE 31 H PHE 31 11.366 3.084 7.497
221 HA PHE 31 HA PHE 31 10.342 3.503 10.187
222 HB2 PHE 31 2HB PHE 31 12.408 1.386 9.552
223 HB3 PHE 31 3HB PHE 31 11.988 1.927 11.174
224 HD1 PHE 31 HD1 PHE 31 10.832 0.076 8.227
225 HD2 PHE 31 HD2 PHE 31 9.958 1.227 12.230
226 HE1 PHE 31 HE1 PHE 31 9.028 -1.595 8.310
227 HE2 PHE 31 HE2 PHE 31 8.154 -0.443 12.320
228 HZ PHE 31 HZ PHE 31 7.687 -1.858 10.359
229 H HIS 32 H HIS 32 11.402 5.097 11.189
230 HA HIS 32 HA HIS 32 13.355 6.620 9.866
231 HB2 HIS 32 2HB HIS 32 12.394 6.579 12.722
232 HB3 HIS 32 3HB HIS 32 13.635 7.702 12.172
233 HD2 HIS 32 HD2 HIS 32 12.543 9.174 9.718
234 HE1 HIS 32 HE1 HIS 32 8.734 9.323 11.580
235 HE2 HIS 32 HE2 HIS 32 10.170 10.203 9.707
236 H GLY 33 H GLY 33 15.513 6.503 9.787
237 HA2 GLY 33 2HA GLY 33 16.946 4.263 10.551
238 HA3 GLY 33 3HA GLY 33 17.667 5.830 10.215
239 H ASP 34 H ASP 34 16.123 7.066 12.445
240 HA ASP 34 HA ASP 34 18.071 6.603 14.495
241 HB2 ASP 34 2HB ASP 34 15.956 8.543 13.945
242 HB3 ASP 34 3HB ASP 34 16.070 8.124 15.652
243 H CYS 35 H CYS 35 14.563 6.069 14.238
244 HA CYS 35 HA CYS 35 14.191 4.935 16.766
245 HB2 CYS 35 2HB CYS 35 12.678 4.432 14.196
246 HB3 CYS 35 3HB CYS 35 12.129 3.940 15.793
247 H VAL 36 H VAL 36 15.085 3.466 13.682
248 HA VAL 36 HA VAL 36 15.097 0.795 14.782
249 HB VAL 36 HB VAL 36 16.049 0.150 12.568
250 HG11 VAL 36 1HG1 VAL 36 13.622 0.194 13.001
251 HG12 VAL 36 2HG1 VAL 36 13.564 1.853 12.401
252 HG13 VAL 36 3HG1 VAL 36 14.015 0.536 11.317
253 HG21 VAL 36 3HG2 VAL 36 15.452 2.621 11.215
254 HG22 VAL 36 1HG2 VAL 36 16.708 2.862 12.429
255 HG23 VAL 36 2HG2 VAL 36 16.920 1.646 11.170
256 H GLY 37 H GLY 37 17.353 3.386 14.332
257 HA2 GLY 37 2HA GLY 37 19.373 3.436 15.631
258 HA3 GLY 37 3HA GLY 37 19.453 1.685 15.500
259 H ILE 38 H ILE 38 18.656 2.179 12.539
260 HA ILE 38 HA ILE 38 21.236 1.888 11.466
261 HB ILE 38 HB ILE 38 18.679 2.686 10.069
262 HG12 ILE 38 2HG1 ILE 38 18.603 0.500 11.237
263 HG13 ILE 38 3HG1 ILE 38 18.497 0.331 9.488
264 HG21 ILE 38 1HG2 ILE 38 20.076 3.170 8.379
265 HG22 ILE 38 2HG2 ILE 38 21.421 2.294 9.107
266 HG23 ILE 38 3HG2 ILE 38 20.188 1.419 8.201
267 HD11 ILE 38 3HD1 ILE 38 19.946 -1.350 10.559
268 HD12 ILE 38 1HD1 ILE 38 20.791 -0.361 9.367
269 HD13 ILE 38 2HD1 ILE 38 21.013 -0.050 11.089
270 H SER 39 H SER 39 22.728 3.306 10.820
271 HA SER 39 HA SER 39 22.256 6.126 11.245
272 HB2 SER 39 2HB SER 39 24.809 5.300 10.018
273 HB3 SER 39 3HB SER 39 24.510 6.313 11.430
274 HG SER 39 HG SER 39 25.445 3.986 11.574
275 H GLU 40 H GLU 40 22.547 7.763 9.680
276 HA GLU 40 HA GLU 40 21.283 7.394 7.255
277 HB2 GLU 40 2HB GLU 40 23.317 9.485 8.041
278 HB3 GLU 40 3HB GLU 40 22.343 9.564 6.580
279 HG2 GLU 40 2HG GLU 40 20.905 10.729 7.811
280 HG3 GLU 40 3HG GLU 40 20.450 9.176 8.509
281 H ALA 41 H ALA 41 24.676 7.038 8.057
282 HA ALA 41 HA ALA 41 25.561 6.804 5.339
283 HB1 ALA 41 1HB ALA 41 26.866 7.418 7.564
284 HB2 ALA 41 2HB ALA 41 27.183 5.682 7.556
285 HB3 ALA 41 3HB ALA 41 27.671 6.674 6.182
286 H ARG 42 H ARG 42 24.549 4.589 7.865
287 HA ARG 42 HA ARG 42 25.425 2.221 6.528
288 HB2 ARG 42 2HB ARG 42 25.117 2.270 8.954
289 HB3 ARG 42 3HB ARG 42 23.401 2.591 8.743
290 HG2 ARG 42 2HG ARG 42 23.049 0.409 8.803
291 HG3 ARG 42 3HG ARG 42 23.915 0.272 7.271
292 HD2 ARG 42 2HD ARG 42 26.042 0.157 8.617
293 HD3 ARG 42 3HD ARG 42 25.031 0.011 10.055
294 HE ARG 42 HE ARG 42 24.197 -1.934 8.252
295 HH11 ARG 42 1HH1 ARG 42 27.039 -1.139 10.098
296 HH12 ARG 42 2HH1 ARG 42 27.564 -2.783 10.244
297 HH21 ARG 42 1HH2 ARG 42 24.877 -4.103 8.437
298 HH22 ARG 42 2HH2 ARG 42 26.334 -4.469 9.298
299 H GLY 43 H GLY 43 22.228 3.728 6.998
300 HA2 GLY 43 2HA GLY 43 20.711 1.897 5.553
301 HA3 GLY 43 3HA GLY 43 20.302 3.594 5.757
302 H ARG 44 H ARG 44 22.649 4.599 4.404
303 HA ARG 44 HA ARG 44 21.656 4.511 1.730
304 HB2 ARG 44 2HB ARG 44 22.941 6.406 3.046
305 HB3 ARG 44 3HB ARG 44 24.357 5.611 2.373
306 HG2 ARG 44 2HG ARG 44 24.056 6.655 0.449
307 HG3 ARG 44 3HG ARG 44 22.442 5.956 0.298
308 HD2 ARG 44 2HD ARG 44 21.860 8.151 0.321
309 HD3 ARG 44 3HD ARG 44 21.881 7.865 2.061
310 HE ARG 44 HE ARG 44 23.696 9.250 2.232
311 HH11 ARG 44 1HH1 ARG 44 23.243 8.364 -1.104
312 HH12 ARG 44 2HH1 ARG 44 24.434 9.474 -1.697
313 HH21 ARG 44 1HH2 ARG 44 25.266 10.716 1.464
314 HH22 ARG 44 2HH2 ARG 44 25.585 10.811 -0.235
315 H LEU 45 H LEU 45 24.116 2.819 3.485
316 HA LEU 45 HA LEU 45 25.639 1.943 1.247
317 HB2 LEU 45 2HB LEU 45 26.282 1.997 3.737
318 HB3 LEU 45 3HB LEU 45 25.424 0.461 3.845
319 HG LEU 45 HG LEU 45 27.076 -0.101 1.807
320 HD11 LEU 45 1HD1 LEU 45 28.400 2.063 3.404
321 HD12 LEU 45 2HD1 LEU 45 28.294 1.882 1.654
322 HD13 LEU 45 3HD1 LEU 45 29.338 0.812 2.588
323 HD21 LEU 45 3HD2 LEU 45 28.637 -0.578 4.081
324 HD22 LEU 45 1HD2 LEU 45 27.484 -1.674 3.319
325 HD23 LEU 45 2HD2 LEU 45 26.961 -0.619 4.632
326 H LEU 46 H LEU 46 22.879 0.648 3.004
327 HA LEU 46 HA LEU 46 22.877 -1.896 1.738
328 HB2 LEU 46 2HB LEU 46 20.502 -0.487 2.933
329 HB3 LEU 46 3HB LEU 46 20.739 -2.222 2.734
330 HG LEU 46 HG LEU 46 22.169 -0.407 4.672
331 HD11 LEU 46 1HD1 LEU 46 19.798 -1.133 5.160
332 HD12 LEU 46 2HD1 LEU 46 21.006 -1.560 6.371
333 HD13 LEU 46 3HD1 LEU 46 20.417 -2.782 5.245
334 HD21 LEU 46 3HD2 LEU 46 23.681 -2.113 3.753
335 HD22 LEU 46 1HD2 LEU 46 22.532 -3.367 4.219
336 HD23 LEU 46 2HD2 LEU 46 23.322 -2.391 5.458
337 H GLU 47 H GLU 47 21.665 1.236 0.870
338 HA GLU 47 HA GLU 47 19.806 0.343 -1.105
339 HB2 GLU 47 2HB GLU 47 20.774 2.886 -0.071
340 HB3 GLU 47 3HB GLU 47 20.557 2.922 -1.815
341 HG2 GLU 47 2HG GLU 47 18.285 1.653 -0.768
342 HG3 GLU 47 3HG GLU 47 18.595 3.050 0.261
343 H ARG 48 H ARG 48 23.205 1.201 -1.094
344 HA ARG 48 HA ARG 48 23.445 1.176 -3.962
345 HB2 ARG 48 2HB ARG 48 25.052 1.990 -1.753
346 HB3 ARG 48 3HB ARG 48 25.980 0.841 -2.708
347 HG2 ARG 48 2HG ARG 48 26.435 3.074 -3.468
348 HG3 ARG 48 3HG ARG 48 25.543 2.202 -4.716
349 HD2 ARG 48 2HD ARG 48 23.450 3.261 -3.808
350 HD3 ARG 48 3HD ARG 48 24.487 4.270 -2.799
351 HE ARG 48 HE ARG 48 25.459 4.657 -5.302
352 HH11 ARG 48 1HH1 ARG 48 22.293 4.901 -3.876
353 HH12 ARG 48 2HH1 ARG 48 21.760 6.148 -4.954
354 HH21 ARG 48 1HH2 ARG 48 24.770 6.298 -6.728
355 HH22 ARG 48 2HH2 ARG 48 23.170 6.941 -6.577
356 H ASN 49 H ASN 49 23.781 -1.110 -1.364
357 HA ASN 49 HA ASN 49 25.113 -3.075 -3.036
358 HB2 ASN 49 2HB ASN 49 24.285 -2.956 -0.156
359 HB3 ASN 49 3HB ASN 49 24.662 -4.511 -0.892
360 HD21 ASN 49 1HD2 ASN 49 25.959 -2.542 1.113
361 HD22 ASN 49 2HD2 ASN 49 27.614 -2.525 0.616
362 H GLY 50 H GLY 50 21.914 -2.215 -2.078
363 HA2 GLY 50 2HA GLY 50 19.891 -3.007 -2.856
364 HA3 GLY 50 3HA GLY 50 20.775 -4.137 -3.871
365 H GLU 51 H GLU 51 20.918 -3.812 -0.350
366 HA GLU 51 HA GLU 51 20.159 -6.634 -0.139
367 HB2 GLU 51 2HB GLU 51 21.746 -4.760 1.554
368 HB3 GLU 51 3HB GLU 51 20.917 -6.094 2.345
369 HG2 GLU 51 2HG GLU 51 22.060 -7.637 0.739
370 HG3 GLU 51 3HG GLU 51 23.013 -6.256 0.198
371 H ASP 52 H ASP 52 18.175 -7.161 0.465
372 HA ASP 52 HA ASP 52 16.201 -5.285 1.148
373 HB2 ASP 52 2HB ASP 52 14.882 -7.356 1.839
374 HB3 ASP 52 3HB ASP 52 15.464 -7.313 0.177
375 H TYR 53 H TYR 53 16.574 -4.044 2.914
376 HA TYR 53 HA TYR 53 17.594 -5.103 5.370
377 HB2 TYR 53 2HB TYR 53 18.139 -2.847 4.963
378 HB3 TYR 53 3HB TYR 53 16.480 -2.430 4.548
379 HD1 TYR 53 HD2 TYR 53 14.821 -2.042 6.290
380 HD2 TYR 53 HD1 TYR 53 18.848 -2.998 7.276
381 HE1 TYR 53 HE2 TYR 53 14.426 -1.298 8.601
382 HE2 TYR 53 HE1 TYR 53 18.464 -2.258 9.590
383 HH TYR 53 HH TYR 53 16.935 -1.600 11.083
384 H ILE 54 H ILE 54 16.518 -5.393 7.324
385 HA ILE 54 HA ILE 54 13.577 -5.401 7.198
386 HB ILE 54 HB ILE 54 15.302 -7.557 8.421
387 HG12 ILE 54 2HG1 ILE 54 13.425 -7.611 6.048
388 HG13 ILE 54 3HG1 ILE 54 15.182 -7.686 5.974
389 HG21 ILE 54 1HG2 ILE 54 12.667 -6.724 9.058
390 HG22 ILE 54 2HG2 ILE 54 12.565 -8.287 8.250
391 HG23 ILE 54 3HG2 ILE 54 13.567 -8.102 9.690
392 HD11 ILE 54 3HD1 ILE 54 15.071 -9.805 7.274
393 HD12 ILE 54 1HD1 ILE 54 13.316 -9.744 7.119
394 HD13 ILE 54 2HD1 ILE 54 14.325 -9.884 5.678
395 H CYS 55 H CYS 55 12.892 -3.940 8.613
396 HA CYS 55 HA CYS 55 14.270 -2.714 10.626
397 HB2 CYS 55 2HB CYS 55 12.082 -2.147 11.624
398 HB3 CYS 55 3HB CYS 55 12.089 -1.933 9.878
399 HA PRO 56 HA PRO 56 14.813 -5.507 13.965
400 HB2 PRO 56 2HB PRO 56 14.543 -3.859 16.105
401 HB3 PRO 56 3HB PRO 56 15.953 -3.826 15.039
402 HG2 PRO 56 2HG PRO 56 13.553 -2.036 15.062
403 HG3 PRO 56 3HG PRO 56 15.264 -1.611 14.869
404 HD2 PRO 56 2HD PRO 56 13.561 -1.792 12.771
405 HD3 PRO 56 3HD PRO 56 15.285 -2.192 12.638
406 H ASN 57 H ASN 57 11.847 -4.009 13.390
407 HA ASN 57 HA ASN 57 10.460 -5.063 15.692
408 HB2 ASN 57 2HB ASN 57 9.943 -3.061 13.803
409 HB3 ASN 57 3HB ASN 57 8.729 -4.300 13.497
410 HD21 ASN 57 1HD2 ASN 57 8.131 -1.747 14.435
411 HD22 ASN 57 2HD2 ASN 57 7.496 -1.884 16.036
412 H CYS 58 H CYS 58 10.751 -5.841 12.255
413 HA CYS 58 HA CYS 58 8.923 -8.048 12.396
414 HB2 CYS 58 2HB CYS 58 10.867 -7.112 10.286
415 HB3 CYS 58 3HB CYS 58 9.879 -8.555 10.091
416 H THR 59 H THR 59 12.445 -7.684 12.292
417 HA THR 59 HA THR 59 13.222 -10.319 12.082
418 HB THR 59 HB THR 59 14.745 -8.311 12.139
419 HG1 THR 59 HG1 THR 59 15.305 -10.644 13.662
420 HG21 THR 59 3HG2 THR 59 13.729 -7.516 14.363
421 HG22 THR 59 1HG2 THR 59 15.475 -7.381 14.162
422 HG23 THR 59 2HG2 THR 59 14.797 -8.699 15.118
423 H ILE 60 H ILE 60 11.870 -8.652 14.829
424 HA ILE 60 HA ILE 60 12.121 -11.127 16.411
425 HB ILE 60 HB ILE 60 12.004 -9.773 18.435
426 HG12 ILE 60 2HG1 ILE 60 12.538 -7.174 17.649
427 HG13 ILE 60 3HG1 ILE 60 11.298 -7.689 16.511
428 HG21 ILE 60 1HG2 ILE 60 14.167 -10.120 16.877
429 HG22 ILE 60 2HG2 ILE 60 14.144 -8.360 16.981
430 HG23 ILE 60 3HG2 ILE 60 14.217 -9.329 18.453
431 HD11 ILE 60 3HD1 ILE 60 10.609 -8.474 19.189
432 HD12 ILE 60 1HD1 ILE 60 10.929 -6.742 19.098
433 HD13 ILE 60 2HD1 ILE 60 9.718 -7.472 18.043
434 H LEU 61 H LEU 61 10.013 -10.189 14.480
435 HA LEU 61 HA LEU 61 7.762 -11.109 15.911
436 HB2 LEU 61 2HB LEU 61 8.268 -8.482 16.450
437 HB3 LEU 61 3HB LEU 61 7.145 -8.362 15.098
438 HG LEU 61 HG LEU 61 5.658 -9.953 16.492
439 HD11 LEU 61 1HD1 LEU 61 5.957 -9.839 18.877
440 HD12 LEU 61 2HD1 LEU 61 7.380 -8.815 18.687
441 HD13 LEU 61 3HD1 LEU 61 7.421 -10.491 18.140
442 HD21 LEU 61 3HD2 LEU 61 5.216 -7.560 15.993
443 HD22 LEU 61 1HD2 LEU 61 6.086 -7.133 17.467
444 HD23 LEU 61 2HD2 LEU 61 4.602 -8.081 17.563
Start of MODEL 13
1 H1 GLY 1 H GLY 1 1.854 -0.098 -1.350
2 HA2 GLY 1 2HA GLY 1 3.722 -0.869 -2.686
3 HA3 GLY 1 3HA GLY 1 3.089 0.081 -4.023
4 H SER 2 H SER 2 3.074 2.462 -3.716
5 HA SER 2 HA SER 2 5.614 3.277 -2.557
6 HB2 SER 2 2HB SER 2 4.103 5.432 -3.762
7 HB3 SER 2 3HB SER 2 5.666 4.765 -4.235
8 HG SER 2 HG SER 2 4.643 3.959 -5.872
9 H MET 3 H MET 3 5.845 4.437 -0.747
10 HA MET 3 HA MET 3 3.635 4.834 0.991
11 HB2 MET 3 2HB MET 3 5.215 5.730 2.545
12 HB3 MET 3 3HB MET 3 5.995 4.390 1.716
13 HG2 MET 3 2HG MET 3 7.680 5.735 1.243
14 HG3 MET 3 3HG MET 3 6.598 6.657 0.202
15 HE1 MET 3 3HE MET 3 7.847 7.219 4.439
16 HE2 MET 3 1HE MET 3 8.444 6.123 3.192
17 HE3 MET 3 2HE MET 3 9.084 7.763 3.303
18 H ASP 4 H ASP 4 3.257 7.006 2.072
19 HA ASP 4 HA ASP 4 3.319 9.172 0.077
20 HB2 ASP 4 2HB ASP 4 1.030 7.947 1.431
21 HB3 ASP 4 3HB ASP 4 1.075 9.701 1.591
22 HA PRO 5 HA PRO 5 4.941 11.826 3.168
23 HB2 PRO 5 2HB PRO 5 3.673 14.172 2.655
24 HB3 PRO 5 3HB PRO 5 4.926 13.506 1.601
25 HG2 PRO 5 2HG PRO 5 1.949 13.390 1.312
26 HG3 PRO 5 3HG PRO 5 3.182 13.712 0.078
27 HD2 PRO 5 2HD PRO 5 2.001 11.291 0.362
28 HD3 PRO 5 3HD PRO 5 3.679 11.477 -0.187
29 H ASN 6 H ASN 6 1.405 12.039 2.858
30 HA ASN 6 HA ASN 6 1.173 12.809 5.662
31 HB2 ASN 6 2HB ASN 6 -1.291 12.952 5.094
32 HB3 ASN 6 3HB ASN 6 -0.245 14.061 4.211
33 HD21 ASN 6 1HD2 ASN 6 -0.767 14.242 2.169
34 HD22 ASN 6 2HD2 ASN 6 -1.416 12.998 1.162
35 H ALA 7 H ALA 7 2.210 10.269 5.340
36 HA ALA 7 HA ALA 7 -0.015 8.598 6.308
37 HB1 ALA 7 1HB ALA 7 0.565 7.811 4.111
38 HB2 ALA 7 2HB ALA 7 2.274 7.745 4.542
39 HB3 ALA 7 3HB ALA 7 1.130 6.641 5.305
40 H LEU 8 H LEU 8 0.917 6.603 7.506
41 HA LEU 8 HA LEU 8 3.266 7.372 9.095
42 HB2 LEU 8 2HB LEU 8 0.666 6.312 10.194
43 HB3 LEU 8 3HB LEU 8 2.133 6.596 11.128
44 HG LEU 8 HG LEU 8 0.446 8.701 9.775
45 HD11 LEU 8 1HD1 LEU 8 -0.741 8.744 11.643
46 HD12 LEU 8 2HD1 LEU 8 0.722 9.070 12.570
47 HD13 LEU 8 3HD1 LEU 8 0.209 7.406 12.291
48 HD21 LEU 8 3HD2 LEU 8 2.378 9.841 9.755
49 HD22 LEU 8 1HD2 LEU 8 3.164 8.728 10.876
50 HD23 LEU 8 2HD2 LEU 8 2.108 10.000 11.492
51 H TYR 9 H TYR 9 4.556 5.699 9.790
52 HA TYR 9 HA TYR 9 3.710 2.954 9.293
53 HB2 TYR 9 2HB TYR 9 6.349 3.890 8.189
54 HB3 TYR 9 3HB TYR 9 5.488 2.393 7.849
55 HD1 TYR 9 HD1 TYR 9 5.697 5.979 7.114
56 HD2 TYR 9 HD2 TYR 9 3.672 2.339 6.246
57 HE1 TYR 9 HE1 TYR 9 4.693 7.019 5.123
58 HE2 TYR 9 HE2 TYR 9 2.664 3.368 4.252
59 HH TYR 9 HH TYR 9 2.518 5.185 2.992
60 H CYS 10 H CYS 10 6.588 4.885 10.142
61 HA CYS 10 HA CYS 10 7.924 3.084 11.706
62 HB2 CYS 10 2HB CYS 10 8.650 5.429 11.088
63 HB3 CYS 10 3HB CYS 10 7.661 6.005 12.424
64 H ILE 11 H ILE 11 8.092 2.818 14.024
65 HA ILE 11 HA ILE 11 5.700 2.152 15.260
66 HB ILE 11 HB ILE 11 6.995 2.074 17.384
67 HG12 ILE 11 2HG1 ILE 11 9.200 3.185 15.636
68 HG13 ILE 11 3HG1 ILE 11 8.469 3.974 17.029
69 HG21 ILE 11 1HG2 ILE 11 8.862 0.777 15.551
70 HG22 ILE 11 2HG2 ILE 11 7.812 0.080 16.784
71 HG23 ILE 11 3HG2 ILE 11 7.167 0.455 15.186
72 HD11 ILE 11 3HD1 ILE 11 10.031 3.079 18.304
73 HD12 ILE 11 1HD1 ILE 11 9.401 1.478 17.919
74 HD13 ILE 11 2HD1 ILE 11 10.681 2.184 16.931
75 H CYS 12 H CYS 12 7.548 5.145 15.398
76 HA CYS 12 HA CYS 12 5.964 6.330 17.461
77 HB2 CYS 12 2HB CYS 12 7.151 8.409 16.870
78 HB3 CYS 12 3HB CYS 12 8.260 7.061 17.084
79 H ARG 13 H ARG 13 5.512 5.819 14.135
80 HA ARG 13 HA ARG 13 3.877 6.423 12.674
81 HB2 ARG 13 2HB ARG 13 2.458 7.560 15.088
82 HB3 ARG 13 3HB ARG 13 1.731 7.110 13.551
83 HG2 ARG 13 2HG ARG 13 3.032 5.214 15.496
84 HG3 ARG 13 3HG ARG 13 1.295 5.452 15.287
85 HD2 ARG 13 2HD ARG 13 3.126 4.592 13.057
86 HD3 ARG 13 3HD ARG 13 2.284 3.453 14.107
87 HE ARG 13 HE ARG 13 0.547 5.381 12.877
88 HH11 ARG 13 1HH1 ARG 13 2.139 2.310 12.490
89 HH12 ARG 13 2HH1 ARG 13 0.998 1.717 11.328
90 HH21 ARG 13 1HH2 ARG 13 -0.962 4.613 11.349
91 HH22 ARG 13 2HH2 ARG 13 -0.765 3.029 10.679
92 H GLN 14 H GLN 14 5.654 7.979 12.048
93 HA GLN 14 HA GLN 14 4.581 10.711 12.152
94 HB2 GLN 14 2HB GLN 14 7.255 9.763 12.980
95 HB3 GLN 14 3HB GLN 14 7.236 11.213 11.985
96 HG2 GLN 14 2HG GLN 14 5.257 11.373 14.071
97 HG3 GLN 14 3HG GLN 14 6.857 11.043 14.735
98 HE21 GLN 14 1HE2 GLN 14 4.768 13.412 13.713
99 HE22 GLN 14 2HE2 GLN 14 5.892 14.712 13.539
100 HA PRO 15 HA PRO 15 5.135 10.836 7.803
101 HB2 PRO 15 2HB PRO 15 5.885 13.413 7.393
102 HB3 PRO 15 3HB PRO 15 4.241 12.952 7.850
103 HG2 PRO 15 2HG PRO 15 6.462 13.995 9.565
104 HG3 PRO 15 3HG PRO 15 4.743 14.428 9.575
105 HD2 PRO 15 2HD PRO 15 5.825 12.721 11.377
106 HD3 PRO 15 3HD PRO 15 4.151 12.569 10.803
107 H HIS 16 H HIS 16 6.666 10.808 6.134
108 HA HIS 16 HA HIS 16 9.369 10.317 6.988
109 HB2 HIS 16 2HB HIS 16 9.736 9.425 4.864
110 HB3 HIS 16 3HB HIS 16 8.025 9.102 5.128
111 HD1 HIS 16 HD1 HIS 16 6.934 11.919 4.380
112 HD2 HIS 16 HD2 HIS 16 9.707 9.772 2.152
113 HE1 HIS 16 HE1 HIS 16 6.751 12.813 2.037
114 H ASN 17 H ASN 17 7.720 13.085 6.313
115 HA ASN 17 HA ASN 17 9.868 14.452 4.911
116 HB2 ASN 17 2HB ASN 17 8.284 16.455 5.233
117 HB3 ASN 17 3HB ASN 17 7.747 15.155 4.173
118 HD21 ASN 17 1HD2 ASN 17 7.633 16.073 7.598
119 HD22 ASN 17 2HD2 ASN 17 5.993 15.593 7.847
120 H ASN 18 H ASN 18 10.712 13.462 7.349
121 HA ASN 18 HA ASN 18 11.185 15.954 8.833
122 HB2 ASN 18 2HB ASN 18 10.377 13.273 9.941
123 HB3 ASN 18 3HB ASN 18 11.250 14.445 10.924
124 HD21 ASN 18 1HD2 ASN 18 9.542 14.702 12.341
125 HD22 ASN 18 2HD2 ASN 18 8.101 15.552 11.911
126 H ARG 19 H ARG 19 12.272 12.625 9.388
127 HA ARG 19 HA ARG 19 15.024 13.512 8.817
128 HB2 ARG 19 2HB ARG 19 14.292 11.431 10.874
129 HB3 ARG 19 3HB ARG 19 15.849 12.214 10.635
130 HG2 ARG 19 2HG ARG 19 15.251 13.575 12.285
131 HG3 ARG 19 3HG ARG 19 14.160 14.328 11.121
132 HD2 ARG 19 2HD ARG 19 12.978 13.759 13.172
133 HD3 ARG 19 3HD ARG 19 12.373 12.810 11.815
134 HE ARG 19 HE ARG 19 13.058 10.921 12.896
135 HH11 ARG 19 1HH1 ARG 19 14.726 13.657 14.258
136 HH12 ARG 19 2HH1 ARG 19 15.469 12.739 15.525
137 HH21 ARG 19 1HH2 ARG 19 14.031 9.702 14.560
138 HH22 ARG 19 2HH2 ARG 19 15.074 10.489 15.696
139 H PHE 20 H PHE 20 16.477 11.400 8.683
140 HA PHE 20 HA PHE 20 15.891 10.130 6.304
141 HB2 PHE 20 2HB PHE 20 18.138 10.115 7.138
142 HB3 PHE 20 3HB PHE 20 17.655 9.243 8.589
143 HD1 PHE 20 HD2 PHE 20 18.191 8.961 4.960
144 HD2 PHE 20 HD1 PHE 20 17.430 6.880 8.594
145 HE1 PHE 20 HE2 PHE 20 18.697 6.828 3.841
146 HE2 PHE 20 HE1 PHE 20 17.936 4.745 7.482
147 HZ PHE 20 HZ PHE 20 18.570 4.717 5.102
148 H MET 21 H MET 21 15.113 8.088 5.739
149 HA MET 21 HA MET 21 13.824 6.503 7.833
150 HB2 MET 21 2HB MET 21 12.460 7.934 5.612
151 HB3 MET 21 3HB MET 21 11.892 6.314 5.994
152 HG2 MET 21 2HG MET 21 11.832 7.206 8.435
153 HG3 MET 21 3HG MET 21 11.820 8.786 7.656
154 HE1 MET 21 3HE MET 21 8.440 5.820 8.076
155 HE2 MET 21 1HE MET 21 10.157 5.460 8.256
156 HE3 MET 21 2HE MET 21 9.371 6.583 9.365
157 H ILE 22 H ILE 22 13.403 4.323 7.240
158 HA ILE 22 HA ILE 22 14.831 3.444 4.816
159 HB ILE 22 HB ILE 22 16.032 2.912 6.950
160 HG12 ILE 22 2HG1 ILE 22 15.113 0.374 5.620
161 HG13 ILE 22 3HG1 ILE 22 16.084 1.555 4.748
162 HG21 ILE 22 1HG2 ILE 22 14.426 0.640 7.670
163 HG22 ILE 22 2HG2 ILE 22 14.997 1.971 8.674
164 HG23 ILE 22 3HG2 ILE 22 13.481 2.124 7.786
165 HD11 ILE 22 3HD1 ILE 22 17.454 -0.224 5.677
166 HD12 ILE 22 1HD1 ILE 22 17.853 1.334 6.402
167 HD13 ILE 22 2HD1 ILE 22 16.877 0.168 7.297
168 H CYS 23 H CYS 23 14.060 1.521 3.805
169 HA CYS 23 HA CYS 23 11.196 1.068 4.285
170 HB2 CYS 23 2HB CYS 23 11.707 1.876 2.050
171 HB3 CYS 23 3HB CYS 23 12.878 0.584 1.819
172 HG CYS 23 HG CYS 23 9.658 -0.262 2.465
173 H CYS 24 H CYS 24 10.558 -0.800 5.122
174 HA CYS 24 HA CYS 24 12.482 -3.007 5.258
175 HB2 CYS 24 2HB CYS 24 11.627 -2.328 7.407
176 HB3 CYS 24 3HB CYS 24 9.967 -2.434 6.832
177 H ASP 25 H ASP 25 12.263 -4.687 3.950
178 HA ASP 25 HA ASP 25 9.963 -4.959 2.255
179 HB2 ASP 25 2HB ASP 25 12.621 -6.253 2.499
180 HB3 ASP 25 3HB ASP 25 11.342 -7.222 1.773
181 H ARG 26 H ARG 26 11.067 -6.373 5.225
182 HA ARG 26 HA ARG 26 9.713 -8.788 5.263
183 HB2 ARG 26 2HB ARG 26 11.208 -7.356 7.065
184 HB3 ARG 26 3HB ARG 26 9.614 -7.327 7.807
185 HG2 ARG 26 2HG ARG 26 11.179 -9.770 7.004
186 HG3 ARG 26 3HG ARG 26 10.873 -9.198 8.646
187 HD2 ARG 26 2HD ARG 26 8.369 -9.390 7.938
188 HD3 ARG 26 3HD ARG 26 9.001 -10.470 6.696
189 HE ARG 26 HE ARG 26 10.111 -11.447 8.948
190 HH11 ARG 26 1HH1 ARG 26 6.841 -10.609 8.096
191 HH12 ARG 26 2HH1 ARG 26 6.127 -11.799 9.134
192 HH21 ARG 26 1HH2 ARG 26 9.183 -13.016 10.319
193 HH22 ARG 26 2HH2 ARG 26 7.461 -13.166 10.399
194 H CYS 27 H CYS 27 8.538 -5.802 6.828
195 HA CYS 27 HA CYS 27 5.812 -6.829 6.661
196 HB2 CYS 27 2HB CYS 27 5.258 -4.880 8.112
197 HB3 CYS 27 3HB CYS 27 6.465 -5.951 8.813
198 H GLU 28 H GLU 28 7.858 -4.914 4.850
199 HA GLU 28 HA GLU 28 7.547 -3.601 3.018
200 HB2 GLU 28 2HB GLU 28 5.635 -5.405 2.746
201 HB3 GLU 28 3HB GLU 28 4.591 -4.029 3.075
202 HG2 GLU 28 2HG GLU 28 4.704 -4.059 0.771
203 HG3 GLU 28 3HG GLU 28 5.913 -2.853 1.209
204 H GLU 29 H GLU 29 7.797 -2.227 5.285
205 HA GLU 29 HA GLU 29 5.960 0.023 4.889
206 HB2 GLU 29 2HB GLU 29 5.999 -1.657 7.190
207 HB3 GLU 29 3HB GLU 29 6.640 -0.087 7.656
208 HG2 GLU 29 2HG GLU 29 4.558 0.623 7.855
209 HG3 GLU 29 3HG GLU 29 4.399 0.482 6.105
210 H TRP 30 H TRP 30 6.909 1.801 6.670
211 HA TRP 30 HA TRP 30 9.765 2.042 5.980
212 HB2 TRP 30 2HB TRP 30 7.562 4.082 5.964
213 HB3 TRP 30 3HB TRP 30 9.235 4.583 6.190
214 HD1 TRP 30 HD1 TRP 30 6.850 3.204 3.554
215 HE1 TRP 30 HE1 TRP 30 7.970 3.389 1.244
216 HE3 TRP 30 HE3 TRP 30 11.539 4.605 5.034
217 HZ2 TRP 30 HZ2 TRP 30 10.505 4.041 0.188
218 HZ3 TRP 30 HZ3 TRP 30 13.254 4.989 3.311
219 HH2 TRP 30 HH2 TRP 30 12.746 4.711 0.939
220 H PHE 31 H PHE 31 11.120 3.124 7.496
221 HA PHE 31 HA PHE 31 10.025 3.581 10.163
222 HB2 PHE 31 2HB PHE 31 12.271 1.643 9.576
223 HB3 PHE 31 3HB PHE 31 11.861 2.225 11.186
224 HD1 PHE 31 HD1 PHE 31 10.770 0.141 8.373
225 HD2 PHE 31 HD2 PHE 31 9.934 1.410 12.349
226 HE1 PHE 31 HE1 PHE 31 9.120 -1.670 8.601
227 HE2 PHE 31 HE2 PHE 31 8.283 -0.399 12.583
228 HZ PHE 31 HZ PHE 31 7.875 -1.943 10.708
229 H HIS 32 H HIS 32 11.847 4.409 11.652
230 HA HIS 32 HA HIS 32 13.346 6.419 10.130
231 HB2 HIS 32 2HB HIS 32 12.323 6.297 12.951
232 HB3 HIS 32 3HB HIS 32 13.613 7.415 12.518
233 HD2 HIS 32 HD2 HIS 32 12.545 8.751 9.843
234 HE1 HIS 32 HE1 HIS 32 8.888 9.359 11.906
235 HE2 HIS 32 HE2 HIS 32 10.262 9.966 9.884
236 H GLY 33 H GLY 33 15.502 6.376 10.012
237 HA2 GLY 33 2HA GLY 33 17.041 4.203 10.742
238 HA3 GLY 33 3HA GLY 33 17.689 5.805 10.423
239 H ASP 34 H ASP 34 16.212 7.018 12.650
240 HA ASP 34 HA ASP 34 18.153 6.519 14.697
241 HB2 ASP 34 2HB ASP 34 16.843 8.727 14.049
242 HB3 ASP 34 3HB ASP 34 15.686 8.116 15.229
243 H CYS 35 H CYS 35 14.691 5.890 14.306
244 HA CYS 35 HA CYS 35 14.276 4.817 16.887
245 HB2 CYS 35 2HB CYS 35 12.765 4.441 14.298
246 HB3 CYS 35 3HB CYS 35 12.216 3.806 15.844
247 H VAL 36 H VAL 36 15.129 3.350 13.788
248 HA VAL 36 HA VAL 36 15.111 0.675 14.879
249 HB VAL 36 HB VAL 36 16.043 0.031 12.649
250 HG11 VAL 36 1HG1 VAL 36 13.717 1.659 11.911
251 HG12 VAL 36 2HG1 VAL 36 13.959 -0.087 11.820
252 HG13 VAL 36 3HG1 VAL 36 13.492 0.662 13.347
253 HG21 VAL 36 3HG2 VAL 36 15.426 2.505 11.313
254 HG22 VAL 36 1HG2 VAL 36 16.695 2.747 12.514
255 HG23 VAL 36 2HG2 VAL 36 16.898 1.535 11.249
256 H GLY 37 H GLY 37 17.413 3.224 14.366
257 HA2 GLY 37 2HA GLY 37 19.439 3.225 15.682
258 HA3 GLY 37 3HA GLY 37 19.502 1.479 15.496
259 H ILE 38 H ILE 38 18.661 2.108 12.560
260 HA ILE 38 HA ILE 38 21.234 1.824 11.448
261 HB ILE 38 HB ILE 38 18.663 2.661 10.101
262 HG12 ILE 38 2HG1 ILE 38 18.579 0.453 11.218
263 HG13 ILE 38 3HG1 ILE 38 18.467 0.319 9.467
264 HG21 ILE 38 1HG2 ILE 38 19.912 1.642 8.081
265 HG22 ILE 38 2HG2 ILE 38 20.304 3.284 8.586
266 HG23 ILE 38 3HG2 ILE 38 21.365 1.948 9.032
267 HD11 ILE 38 3HD1 ILE 38 21.199 0.148 10.148
268 HD12 ILE 38 1HD1 ILE 38 20.309 -0.914 11.238
269 HD13 ILE 38 2HD1 ILE 38 20.149 -1.108 9.492
270 H SER 39 H SER 39 22.663 3.249 10.616
271 HA SER 39 HA SER 39 22.224 6.061 11.198
272 HB2 SER 39 2HB SER 39 24.736 5.257 9.870
273 HB3 SER 39 3HB SER 39 24.485 6.249 11.306
274 HG SER 39 HG SER 39 25.395 3.884 11.349
275 H GLU 40 H GLU 40 22.450 7.736 9.668
276 HA GLU 40 HA GLU 40 21.115 7.423 7.275
277 HB2 GLU 40 2HB GLU 40 23.108 9.502 8.160
278 HB3 GLU 40 3HB GLU 40 22.270 9.605 6.618
279 HG2 GLU 40 2HG GLU 40 20.811 10.822 7.813
280 HG3 GLU 40 3HG GLU 40 20.170 9.236 8.238
281 H ALA 41 H ALA 41 24.548 7.115 7.947
282 HA ALA 41 HA ALA 41 25.322 6.916 5.193
283 HB1 ALA 41 1HB ALA 41 27.095 5.789 7.267
284 HB2 ALA 41 2HB ALA 41 27.452 6.907 5.950
285 HB3 ALA 41 3HB ALA 41 26.690 7.498 7.426
286 H ARG 42 H ARG 42 24.362 4.685 7.702
287 HA ARG 42 HA ARG 42 25.288 2.328 6.377
288 HB2 ARG 42 2HB ARG 42 24.932 2.421 8.815
289 HB3 ARG 42 3HB ARG 42 23.207 2.633 8.549
290 HG2 ARG 42 2HG ARG 42 23.110 0.417 8.801
291 HG3 ARG 42 3HG ARG 42 23.696 0.361 7.138
292 HD2 ARG 42 2HD ARG 42 26.028 0.346 8.063
293 HD3 ARG 42 3HD ARG 42 25.320 0.155 9.666
294 HE ARG 42 HE ARG 42 25.622 -1.866 7.671
295 HH11 ARG 42 1HH1 ARG 42 23.654 -0.821 10.345
296 HH12 ARG 42 2HH1 ARG 42 23.080 -2.413 10.714
297 HH21 ARG 42 1HH2 ARG 42 24.874 -3.968 8.147
298 HH22 ARG 42 2HH2 ARG 42 23.775 -4.202 9.464
299 H GLY 43 H GLY 43 22.066 3.790 6.815
300 HA2 GLY 43 2HA GLY 43 20.634 1.917 5.298
301 HA3 GLY 43 3HA GLY 43 20.130 3.573 5.602
302 H ARG 44 H ARG 44 22.374 4.821 4.317
303 HA ARG 44 HA ARG 44 21.393 5.045 1.712
304 HB2 ARG 44 2HB ARG 44 22.826 6.717 2.929
305 HB3 ARG 44 3HB ARG 44 24.209 5.682 2.597
306 HG2 ARG 44 2HG ARG 44 24.274 7.320 0.936
307 HG3 ARG 44 3HG ARG 44 23.579 5.906 0.140
308 HD2 ARG 44 2HD ARG 44 21.576 6.898 -0.154
309 HD3 ARG 44 3HD ARG 44 21.637 7.715 1.407
310 HE ARG 44 HE ARG 44 22.331 8.821 -1.106
311 HH11 ARG 44 1HH1 ARG 44 23.261 8.819 2.249
312 HH12 ARG 44 2HH1 ARG 44 23.944 10.410 2.195
313 HH21 ARG 44 1HH2 ARG 44 23.228 10.917 -1.190
314 HH22 ARG 44 2HH2 ARG 44 23.924 11.603 0.239
315 H LEU 45 H LEU 45 23.666 2.826 3.100
316 HA LEU 45 HA LEU 45 24.858 1.991 0.640
317 HB2 LEU 45 2HB LEU 45 25.964 1.738 2.822
318 HB3 LEU 45 3HB LEU 45 24.727 0.578 3.301
319 HG LEU 45 HG LEU 45 27.016 -0.307 2.542
320 HD11 LEU 45 1HD1 LEU 45 24.912 -1.616 0.933
321 HD12 LEU 45 2HD1 LEU 45 24.592 -1.432 2.657
322 HD13 LEU 45 3HD1 LEU 45 26.031 -2.296 2.115
323 HD21 LEU 45 3HD2 LEU 45 25.885 -0.117 -0.213
324 HD22 LEU 45 1HD2 LEU 45 27.552 -0.370 0.306
325 HD23 LEU 45 2HD2 LEU 45 26.821 1.230 0.437
326 H LEU 46 H LEU 46 22.114 0.956 2.566
327 HA LEU 46 HA LEU 46 21.639 -1.516 1.316
328 HB2 LEU 46 2HB LEU 46 19.902 0.422 2.801
329 HB3 LEU 46 3HB LEU 46 19.218 -1.027 2.066
330 HG LEU 46 HG LEU 46 19.612 -1.418 4.408
331 HD11 LEU 46 1HD1 LEU 46 20.235 -3.507 3.988
332 HD12 LEU 46 2HD1 LEU 46 21.867 -3.000 3.555
333 HD13 LEU 46 3HD1 LEU 46 20.592 -2.998 2.337
334 HD21 LEU 46 3HD2 LEU 46 21.568 0.334 4.362
335 HD22 LEU 46 1HD2 LEU 46 22.557 -1.102 4.096
336 HD23 LEU 46 2HD2 LEU 46 21.555 -0.978 5.542
337 H GLU 47 H GLU 47 21.012 1.743 0.322
338 HA GLU 47 HA GLU 47 19.069 1.062 -1.682
339 HB2 GLU 47 2HB GLU 47 20.135 3.457 -0.530
340 HB3 GLU 47 3HB GLU 47 20.270 3.560 -2.280
341 HG2 GLU 47 2HG GLU 47 17.698 2.543 -1.656
342 HG3 GLU 47 3HG GLU 47 17.990 3.962 -0.652
343 H ARG 48 H ARG 48 22.532 1.361 -1.517
344 HA ARG 48 HA ARG 48 22.887 1.383 -4.383
345 HB2 ARG 48 2HB ARG 48 24.587 1.669 -2.012
346 HB3 ARG 48 3HB ARG 48 25.342 0.757 -3.313
347 HG2 ARG 48 2HG ARG 48 25.907 2.696 -4.222
348 HG3 ARG 48 3HG ARG 48 24.196 2.958 -4.567
349 HD2 ARG 48 2HD ARG 48 23.892 4.279 -2.678
350 HD3 ARG 48 3HD ARG 48 25.333 3.645 -1.885
351 HE ARG 48 HE ARG 48 25.194 5.858 -3.692
352 HH11 ARG 48 1HH1 ARG 48 27.238 3.299 -2.510
353 HH12 ARG 48 2HH1 ARG 48 28.713 4.129 -2.880
354 HH21 ARG 48 1HH2 ARG 48 27.129 6.961 -4.184
355 HH22 ARG 48 2HH2 ARG 48 28.650 6.212 -3.831
356 H ASN 49 H ASN 49 23.498 -0.916 -1.737
357 HA ASN 49 HA ASN 49 24.197 -3.026 -3.572
358 HB2 ASN 49 2HB ASN 49 24.257 -2.601 -0.677
359 HB3 ASN 49 3HB ASN 49 23.771 -4.233 -1.127
360 HD21 ASN 49 1HD2 ASN 49 26.319 -2.556 -0.199
361 HD22 ASN 49 2HD2 ASN 49 27.584 -3.369 -1.050
362 H GLY 50 H GLY 50 21.335 -1.858 -2.041
363 HA2 GLY 50 2HA GLY 50 19.135 -2.467 -2.373
364 HA3 GLY 50 3HA GLY 50 19.692 -3.653 -3.543
365 H GLU 51 H GLU 51 21.100 -3.783 -0.411
366 HA GLU 51 HA GLU 51 20.213 -6.427 0.036
367 HB2 GLU 51 2HB GLU 51 21.773 -4.409 1.554
368 HB3 GLU 51 3HB GLU 51 21.045 -5.710 2.486
369 HG2 GLU 51 2HG GLU 51 22.198 -7.361 1.151
370 HG3 GLU 51 3HG GLU 51 22.865 -6.096 0.121
371 H ASP 52 H ASP 52 18.193 -6.978 0.498
372 HA ASP 52 HA ASP 52 16.161 -5.318 1.374
373 HB2 ASP 52 2HB ASP 52 16.446 -8.301 1.794
374 HB3 ASP 52 3HB ASP 52 14.949 -7.393 1.983
375 H TYR 53 H TYR 53 16.398 -4.070 3.139
376 HA TYR 53 HA TYR 53 17.610 -5.077 5.556
377 HB2 TYR 53 2HB TYR 53 18.088 -2.811 5.132
378 HB3 TYR 53 3HB TYR 53 16.411 -2.436 4.752
379 HD1 TYR 53 HD2 TYR 53 14.785 -2.065 6.524
380 HD2 TYR 53 HD1 TYR 53 18.847 -2.948 7.434
381 HE1 TYR 53 HE2 TYR 53 14.423 -1.318 8.839
382 HE2 TYR 53 HE1 TYR 53 18.495 -2.204 9.752
383 HH TYR 53 HH TYR 53 15.561 -0.619 10.748
384 H ILE 54 H ILE 54 16.596 -5.370 7.547
385 HA ILE 54 HA ILE 54 13.655 -5.472 7.495
386 HB ILE 54 HB ILE 54 15.474 -7.545 8.726
387 HG12 ILE 54 2HG1 ILE 54 13.584 -7.705 6.368
388 HG13 ILE 54 3HG1 ILE 54 15.342 -7.726 6.285
389 HG21 ILE 54 1HG2 ILE 54 12.757 -8.367 8.588
390 HG22 ILE 54 2HG2 ILE 54 13.770 -8.143 10.013
391 HG23 ILE 54 3HG2 ILE 54 12.823 -6.795 9.383
392 HD11 ILE 54 3HD1 ILE 54 13.581 -9.902 6.544
393 HD12 ILE 54 1HD1 ILE 54 15.344 -9.919 6.528
394 HD13 ILE 54 2HD1 ILE 54 14.477 -9.779 8.058
395 H CYS 55 H CYS 55 12.960 -4.003 8.898
396 HA CYS 55 HA CYS 55 14.353 -2.712 10.865
397 HB2 CYS 55 2HB CYS 55 12.157 -2.192 11.900
398 HB3 CYS 55 3HB CYS 55 12.161 -1.959 10.156
399 HA PRO 56 HA PRO 56 14.998 -5.442 14.237
400 HB2 PRO 56 2HB PRO 56 14.743 -3.761 16.354
401 HB3 PRO 56 3HB PRO 56 16.132 -3.726 15.262
402 HG2 PRO 56 2HG PRO 56 13.708 -1.970 15.298
403 HG3 PRO 56 3HG PRO 56 15.408 -1.525 15.067
404 HD2 PRO 56 2HD PRO 56 13.671 -1.765 13.004
405 HD3 PRO 56 3HD PRO 56 15.399 -2.144 12.846
406 H ASN 57 H ASN 57 12.001 -3.985 13.699
407 HA ASN 57 HA ASN 57 10.672 -5.029 16.040
408 HB2 ASN 57 2HB ASN 57 10.095 -3.052 14.143
409 HB3 ASN 57 3HB ASN 57 8.890 -4.308 13.871
410 HD21 ASN 57 1HD2 ASN 57 8.263 -1.763 14.791
411 HD22 ASN 57 2HD2 ASN 57 7.666 -1.889 16.408
412 H CYS 58 H CYS 58 10.902 -5.839 12.605
413 HA CYS 58 HA CYS 58 9.101 -8.062 12.802
414 HB2 CYS 58 2HB CYS 58 10.992 -7.113 10.653
415 HB3 CYS 58 3HB CYS 58 10.048 -8.588 10.488
416 H THR 59 H THR 59 12.617 -7.671 12.633
417 HA THR 59 HA THR 59 13.409 -10.304 12.445
418 HB THR 59 HB THR 59 14.920 -8.289 12.438
419 HG1 THR 59 HG1 THR 59 16.222 -9.963 12.521
420 HG21 THR 59 3HG2 THR 59 13.938 -7.457 14.665
421 HG22 THR 59 1HG2 THR 59 15.679 -7.310 14.426
422 HG23 THR 59 2HG2 THR 59 15.032 -8.614 15.421
423 H ILE 60 H ILE 60 12.101 -8.602 15.193
424 HA ILE 60 HA ILE 60 12.412 -11.046 16.813
425 HB ILE 60 HB ILE 60 12.312 -9.661 18.813
426 HG12 ILE 60 2HG1 ILE 60 12.769 -7.062 17.966
427 HG13 ILE 60 3HG1 ILE 60 11.508 -7.628 16.876
428 HG21 ILE 60 1HG2 ILE 60 14.395 -8.151 17.460
429 HG22 ILE 60 2HG2 ILE 60 14.519 -9.342 18.754
430 HG23 ILE 60 3HG2 ILE 60 14.438 -9.872 17.074
431 HD11 ILE 60 3HD1 ILE 60 9.961 -7.779 18.525
432 HD12 ILE 60 1HD1 ILE 60 11.155 -8.155 19.767
433 HD13 ILE 60 2HD1 ILE 60 10.966 -6.496 19.199
434 H LEU 61 H LEU 61 10.258 -10.180 14.899
435 HA LEU 61 HA LEU 61 8.048 -11.138 16.346
436 HB2 LEU 61 2HB LEU 61 8.509 -8.541 16.981
437 HB3 LEU 61 3HB LEU 61 7.408 -8.363 15.615
438 HG LEU 61 HG LEU 61 6.130 -8.294 17.634
439 HD11 LEU 61 1HD1 LEU 61 4.485 -9.595 16.858
440 HD12 LEU 61 2HD1 LEU 61 5.463 -11.059 16.955
441 HD13 LEU 61 3HD1 LEU 61 5.613 -9.990 15.560
442 HD21 LEU 61 3HD2 LEU 61 7.728 -10.719 18.347
443 HD22 LEU 61 1HD2 LEU 61 6.129 -10.471 19.050
444 HD23 LEU 61 2HD2 LEU 61 7.398 -9.272 19.301
Start of MODEL 14
1 H1 GLY 1 H GLY 1 1.029 -0.901 -2.080
2 HA2 GLY 1 2HA GLY 1 0.475 1.243 -0.122
3 HA3 GLY 1 3HA GLY 1 1.587 -0.074 0.217
4 H SER 2 H SER 2 1.879 2.933 -0.001
5 HA SER 2 HA SER 2 4.429 2.879 -1.337
6 HB2 SER 2 2HB SER 2 3.572 3.512 -3.340
7 HB3 SER 2 3HB SER 2 2.055 4.063 -2.628
8 HG SER 2 HG SER 2 2.831 6.021 -2.485
9 H MET 3 H MET 3 5.734 4.694 -0.848
10 HA MET 3 HA MET 3 5.228 5.838 1.696
11 HB2 MET 3 2HB MET 3 7.496 5.461 1.124
12 HB3 MET 3 3HB MET 3 7.336 6.325 -0.399
13 HG2 MET 3 2HG MET 3 8.598 7.576 1.302
14 HG3 MET 3 3HG MET 3 7.158 8.424 0.741
15 HE1 MET 3 3HE MET 3 8.814 7.484 4.464
16 HE2 MET 3 1HE MET 3 7.750 6.078 4.524
17 HE3 MET 3 2HE MET 3 8.843 6.298 3.158
18 H ASP 4 H ASP 4 4.177 7.635 2.232
19 HA ASP 4 HA ASP 4 3.755 9.694 0.172
20 HB2 ASP 4 2HB ASP 4 1.758 8.128 1.621
21 HB3 ASP 4 3HB ASP 4 1.511 9.865 1.781
22 HA PRO 5 HA PRO 5 5.010 12.672 3.136
23 HB2 PRO 5 2HB PRO 5 3.351 14.757 2.613
24 HB3 PRO 5 3HB PRO 5 4.663 14.279 1.530
25 HG2 PRO 5 2HG PRO 5 1.740 13.658 1.353
26 HG3 PRO 5 3HG PRO 5 2.860 14.143 0.067
27 HD2 PRO 5 2HD PRO 5 2.113 11.569 0.454
28 HD3 PRO 5 3HD PRO 5 3.718 12.015 -0.161
29 H ASN 6 H ASN 6 1.464 12.386 2.939
30 HA ASN 6 HA ASN 6 1.290 12.988 5.805
31 HB2 ASN 6 2HB ASN 6 -1.160 13.212 5.361
32 HB3 ASN 6 3HB ASN 6 -0.170 14.343 4.443
33 HD21 ASN 6 1HD2 ASN 6 -0.265 14.327 2.278
34 HD22 ASN 6 2HD2 ASN 6 -1.214 13.225 1.345
35 H ALA 7 H ALA 7 2.370 10.547 5.340
36 HA ALA 7 HA ALA 7 0.165 8.702 5.996
37 HB1 ALA 7 1HB ALA 7 2.660 8.170 4.397
38 HB2 ALA 7 2HB ALA 7 1.620 6.895 5.032
39 HB3 ALA 7 3HB ALA 7 0.983 8.051 3.862
40 H LEU 8 H LEU 8 1.134 6.657 7.123
41 HA LEU 8 HA LEU 8 3.273 7.392 8.982
42 HB2 LEU 8 2HB LEU 8 0.569 6.352 9.815
43 HB3 LEU 8 3HB LEU 8 1.957 6.548 10.884
44 HG LEU 8 HG LEU 8 0.465 8.766 9.484
45 HD11 LEU 8 1HD1 LEU 8 0.215 7.478 12.111
46 HD12 LEU 8 2HD1 LEU 8 -0.958 8.413 11.184
47 HD13 LEU 8 3HD1 LEU 8 0.269 9.241 12.141
48 HD21 LEU 8 3HD2 LEU 8 3.111 8.671 10.532
49 HD22 LEU 8 1HD2 LEU 8 2.126 9.697 11.575
50 HD23 LEU 8 2HD2 LEU 8 2.239 10.045 9.850
51 H TYR 9 H TYR 9 4.544 5.713 9.621
52 HA TYR 9 HA TYR 9 3.696 2.977 9.076
53 HB2 TYR 9 2HB TYR 9 6.362 3.911 8.037
54 HB3 TYR 9 3HB TYR 9 5.500 2.423 7.662
55 HD1 TYR 9 HD1 TYR 9 5.671 6.041 7.019
56 HD2 TYR 9 HD2 TYR 9 3.790 2.371 5.973
57 HE1 TYR 9 HE1 TYR 9 4.714 7.108 5.020
58 HE2 TYR 9 HE2 TYR 9 2.829 3.428 3.971
59 HH TYR 9 HH TYR 9 2.237 5.732 3.210
60 H CYS 10 H CYS 10 6.565 4.885 10.004
61 HA CYS 10 HA CYS 10 7.861 3.061 11.575
62 HB2 CYS 10 2HB CYS 10 8.609 5.410 11.001
63 HB3 CYS 10 3HB CYS 10 7.593 5.975 12.321
64 H ILE 11 H ILE 11 7.981 2.769 13.893
65 HA ILE 11 HA ILE 11 5.555 2.103 15.069
66 HB ILE 11 HB ILE 11 6.808 1.976 17.216
67 HG12 ILE 11 2HG1 ILE 11 9.059 3.090 15.529
68 HG13 ILE 11 3HG1 ILE 11 8.310 3.866 16.920
69 HG21 ILE 11 1HG2 ILE 11 7.018 0.400 14.981
70 HG22 ILE 11 2HG2 ILE 11 8.703 0.683 15.417
71 HG23 ILE 11 3HG2 ILE 11 7.595 -0.022 16.594
72 HD11 ILE 11 3HD1 ILE 11 10.469 2.905 17.484
73 HD12 ILE 11 1HD1 ILE 11 9.168 2.112 18.370
74 HD13 ILE 11 2HD1 ILE 11 9.902 1.314 16.978
75 H CYS 12 H CYS 12 7.431 5.074 15.286
76 HA CYS 12 HA CYS 12 5.824 6.243 17.339
77 HB2 CYS 12 2HB CYS 12 7.044 8.315 16.813
78 HB3 CYS 12 3HB CYS 12 8.138 6.950 17.000
79 H ARG 13 H ARG 13 5.347 5.711 14.047
80 HA ARG 13 HA ARG 13 3.771 6.381 12.550
81 HB2 ARG 13 2HB ARG 13 2.399 7.291 15.084
82 HB3 ARG 13 3HB ARG 13 1.633 7.270 13.502
83 HG2 ARG 13 2HG ARG 13 2.779 4.838 14.852
84 HG3 ARG 13 3HG ARG 13 1.083 5.319 14.938
85 HD2 ARG 13 2HD ARG 13 1.275 5.351 12.327
86 HD3 ARG 13 3HD ARG 13 2.654 4.290 12.618
87 HE ARG 13 HE ARG 13 1.179 2.612 13.046
88 HH11 ARG 13 1HH1 ARG 13 -0.437 5.652 13.561
89 HH12 ARG 13 2HH1 ARG 13 -1.977 4.928 13.885
90 HH21 ARG 13 1HH2 ARG 13 -0.844 1.646 13.471
91 HH22 ARG 13 2HH2 ARG 13 -2.207 2.649 13.834
92 H GLN 14 H GLN 14 5.558 7.944 11.979
93 HA GLN 14 HA GLN 14 4.488 10.676 12.118
94 HB2 GLN 14 2HB GLN 14 7.155 9.709 12.957
95 HB3 GLN 14 3HB GLN 14 7.140 11.187 12.004
96 HG2 GLN 14 2HG GLN 14 5.127 11.429 13.972
97 HG3 GLN 14 3HG GLN 14 6.584 10.835 14.767
98 HE21 GLN 14 1HE2 GLN 14 4.973 13.527 13.592
99 HE22 GLN 14 2HE2 GLN 14 6.269 14.665 13.681
100 HA PRO 15 HA PRO 15 5.108 10.881 7.781
101 HB2 PRO 15 2HB PRO 15 5.868 13.463 7.430
102 HB3 PRO 15 3HB PRO 15 4.217 12.997 7.853
103 HG2 PRO 15 2HG PRO 15 6.413 14.004 9.621
104 HG3 PRO 15 3HG PRO 15 4.694 14.440 9.613
105 HD2 PRO 15 2HD PRO 15 5.747 12.698 11.399
106 HD3 PRO 15 3HD PRO 15 4.082 12.560 10.797
107 H HIS 16 H HIS 16 6.664 10.886 6.133
108 HA HIS 16 HA HIS 16 9.350 10.363 7.014
109 HB2 HIS 16 2HB HIS 16 9.756 9.552 4.857
110 HB3 HIS 16 3HB HIS 16 8.051 9.191 5.111
111 HD1 HIS 16 HD1 HIS 16 10.250 10.607 2.684
112 HD2 HIS 16 HD2 HIS 16 6.361 11.384 3.923
113 HE1 HIS 16 HE1 HIS 16 9.199 11.920 0.815
114 H ASN 17 H ASN 17 7.706 13.152 6.326
115 HA ASN 17 HA ASN 17 9.889 14.548 5.020
116 HB2 ASN 17 2HB ASN 17 8.310 16.548 5.367
117 HB3 ASN 17 3HB ASN 17 7.781 15.277 4.269
118 HD21 ASN 17 1HD2 ASN 17 7.623 16.121 7.711
119 HD22 ASN 17 2HD2 ASN 17 5.977 15.640 7.927
120 H ASN 18 H ASN 18 10.708 13.497 7.433
121 HA ASN 18 HA ASN 18 11.158 15.946 8.993
122 HB2 ASN 18 2HB ASN 18 10.004 13.390 9.903
123 HB3 ASN 18 3HB ASN 18 11.292 14.024 10.925
124 HD21 ASN 18 1HD2 ASN 18 8.453 13.737 11.479
125 HD22 ASN 18 2HD2 ASN 18 7.877 15.318 11.873
126 H ARG 19 H ARG 19 12.242 12.607 9.483
127 HA ARG 19 HA ARG 19 14.999 13.506 8.957
128 HB2 ARG 19 2HB ARG 19 14.207 11.416 10.987
129 HB3 ARG 19 3HB ARG 19 15.799 12.121 10.745
130 HG2 ARG 19 2HG ARG 19 15.305 13.565 12.350
131 HG3 ARG 19 3HG ARG 19 14.137 14.292 11.246
132 HD2 ARG 19 2HD ARG 19 13.090 13.746 13.374
133 HD3 ARG 19 3HD ARG 19 12.410 12.770 12.073
134 HE ARG 19 HE ARG 19 13.235 10.893 13.094
135 HH11 ARG 19 1HH1 ARG 19 14.747 13.710 14.473
136 HH12 ARG 19 2HH1 ARG 19 15.526 12.829 15.746
137 HH21 ARG 19 1HH2 ARG 19 14.256 9.723 14.765
138 HH22 ARG 19 2HH2 ARG 19 15.246 10.561 15.910
139 H PHE 20 H PHE 20 16.457 11.404 8.789
140 HA PHE 20 HA PHE 20 15.891 10.176 6.385
141 HB2 PHE 20 2HB PHE 20 18.132 10.143 7.229
142 HB3 PHE 20 3HB PHE 20 17.640 9.257 8.669
143 HD1 PHE 20 HD1 PHE 20 18.256 9.017 5.057
144 HD2 PHE 20 HD2 PHE 20 17.356 6.889 8.631
145 HE1 PHE 20 HE1 PHE 20 18.769 6.896 3.919
146 HE2 PHE 20 HE2 PHE 20 17.868 4.765 7.500
147 HZ PHE 20 HZ PHE 20 18.576 4.766 5.141
148 H MET 21 H MET 21 15.120 8.144 5.775
149 HA MET 21 HA MET 21 13.803 6.529 7.830
150 HB2 MET 21 2HB MET 21 12.481 7.972 5.591
151 HB3 MET 21 3HB MET 21 11.908 6.350 5.957
152 HG2 MET 21 2HG MET 21 11.804 7.236 8.401
153 HG3 MET 21 3HG MET 21 11.800 8.817 7.624
154 HE1 MET 21 3HE MET 21 10.242 5.461 8.095
155 HE2 MET 21 1HE MET 21 9.235 6.430 9.172
156 HE3 MET 21 2HE MET 21 8.527 5.678 7.743
157 H ILE 22 H ILE 22 13.404 4.353 7.212
158 HA ILE 22 HA ILE 22 14.862 3.501 4.796
159 HB ILE 22 HB ILE 22 16.068 2.980 6.930
160 HG12 ILE 22 2HG1 ILE 22 15.179 0.448 5.562
161 HG13 ILE 22 3HG1 ILE 22 16.174 1.641 4.734
162 HG21 ILE 22 1HG2 ILE 22 14.498 0.680 7.639
163 HG22 ILE 22 2HG2 ILE 22 15.043 2.018 8.649
164 HG23 ILE 22 3HG2 ILE 22 13.528 2.148 7.757
165 HD11 ILE 22 3HD1 ILE 22 16.910 0.254 7.300
166 HD12 ILE 22 1HD1 ILE 22 17.488 -0.190 5.694
167 HD13 ILE 22 2HD1 ILE 22 17.917 1.376 6.384
168 H CYS 23 H CYS 23 14.129 1.544 3.799
169 HA CYS 23 HA CYS 23 11.268 1.062 4.264
170 HB2 CYS 23 2HB CYS 23 11.846 1.883 2.022
171 HB3 CYS 23 3HB CYS 23 12.943 0.525 1.803
172 HG CYS 23 HG CYS 23 10.001 -0.666 2.593
173 H CYS 24 H CYS 24 10.647 -0.814 5.098
174 HA CYS 24 HA CYS 24 12.601 -2.992 5.257
175 HB2 CYS 24 2HB CYS 24 11.716 -2.322 7.396
176 HB3 CYS 24 3HB CYS 24 10.064 -2.452 6.806
177 H ASP 25 H ASP 25 12.417 -4.687 3.962
178 HA ASP 25 HA ASP 25 10.142 -4.994 2.239
179 HB2 ASP 25 2HB ASP 25 12.815 -6.246 2.519
180 HB3 ASP 25 3HB ASP 25 11.558 -7.245 1.793
181 H ARG 26 H ARG 26 11.226 -6.380 5.229
182 HA ARG 26 HA ARG 26 9.900 -8.810 5.263
183 HB2 ARG 26 2HB ARG 26 11.421 -7.503 7.044
184 HB3 ARG 26 3HB ARG 26 9.843 -7.204 7.760
185 HG2 ARG 26 2HG ARG 26 10.887 -9.938 7.057
186 HG3 ARG 26 3HG ARG 26 11.016 -9.201 8.656
187 HD2 ARG 26 2HD ARG 26 8.639 -9.130 8.890
188 HD3 ARG 26 3HD ARG 26 8.406 -9.613 7.211
189 HE ARG 26 HE ARG 26 9.887 -11.578 8.607
190 HH11 ARG 26 1HH1 ARG 26 6.668 -10.295 8.278
191 HH12 ARG 26 2HH1 ARG 26 5.891 -11.780 8.718
192 HH21 ARG 26 1HH2 ARG 26 8.876 -13.538 9.187
193 HH22 ARG 26 2HH2 ARG 26 7.148 -13.623 9.236
194 H CYS 27 H CYS 27 8.671 -5.838 6.810
195 HA CYS 27 HA CYS 27 5.961 -6.896 6.615
196 HB2 CYS 27 2HB CYS 27 5.368 -4.941 8.044
197 HB3 CYS 27 3HB CYS 27 6.577 -5.995 8.767
198 H GLU 28 H GLU 28 8.003 -4.966 4.814
199 HA GLU 28 HA GLU 28 7.694 -3.673 2.967
200 HB2 GLU 28 2HB GLU 28 4.755 -4.319 3.118
201 HB3 GLU 28 3HB GLU 28 5.699 -3.892 1.698
202 HG2 GLU 28 2HG GLU 28 6.954 -6.020 1.970
203 HG3 GLU 28 3HG GLU 28 5.844 -6.451 3.270
204 H GLU 29 H GLU 29 7.897 -2.291 5.244
205 HA GLU 29 HA GLU 29 6.047 -0.058 4.809
206 HB2 GLU 29 2HB GLU 29 6.080 -1.722 7.120
207 HB3 GLU 29 3HB GLU 29 6.701 -0.144 7.582
208 HG2 GLU 29 2HG GLU 29 4.578 0.453 7.823
209 HG3 GLU 29 3HG GLU 29 4.511 0.494 6.062
210 H TRP 30 H TRP 30 6.970 1.726 6.616
211 HA TRP 30 HA TRP 30 9.829 1.992 5.950
212 HB2 TRP 30 2HB TRP 30 7.612 4.018 5.885
213 HB3 TRP 30 3HB TRP 30 9.281 4.529 6.118
214 HD1 TRP 30 HD1 TRP 30 6.945 3.035 3.486
215 HE1 TRP 30 HE1 TRP 30 8.073 3.222 1.181
216 HE3 TRP 30 HE3 TRP 30 11.564 4.645 4.972
217 HZ2 TRP 30 HZ2 TRP 30 10.589 3.955 0.131
218 HZ3 TRP 30 HZ3 TRP 30 13.275 5.065 3.254
219 HH2 TRP 30 HH2 TRP 30 12.796 4.726 0.884
220 H PHE 31 H PHE 31 11.149 3.111 7.474
221 HA PHE 31 HA PHE 31 10.009 3.587 10.118
222 HB2 PHE 31 2HB PHE 31 12.282 1.662 9.593
223 HB3 PHE 31 3HB PHE 31 11.834 2.256 11.189
224 HD1 PHE 31 HD1 PHE 31 10.816 0.138 8.373
225 HD2 PHE 31 HD2 PHE 31 9.895 1.430 12.322
226 HE1 PHE 31 HE1 PHE 31 9.179 -1.687 8.584
227 HE2 PHE 31 HE2 PHE 31 8.258 -0.394 12.541
228 HZ PHE 31 HZ PHE 31 7.899 -1.955 10.671
229 H HIS 32 H HIS 32 11.805 4.443 11.626
230 HA HIS 32 HA HIS 32 13.301 6.456 10.109
231 HB2 HIS 32 2HB HIS 32 12.274 6.330 12.930
232 HB3 HIS 32 3HB HIS 32 13.544 7.467 12.488
233 HD2 HIS 32 HD2 HIS 32 12.458 8.785 9.819
234 HE1 HIS 32 HE1 HIS 32 8.780 9.316 11.865
235 HE2 HIS 32 HE2 HIS 32 10.150 9.953 9.850
236 H GLY 33 H GLY 33 15.460 6.445 10.013
237 HA2 GLY 33 2HA GLY 33 17.020 4.288 10.736
238 HA3 GLY 33 3HA GLY 33 17.651 5.902 10.444
239 H ASP 34 H ASP 34 16.102 7.044 12.679
240 HA ASP 34 HA ASP 34 18.041 6.574 14.735
241 HB2 ASP 34 2HB ASP 34 15.655 8.356 14.426
242 HB3 ASP 34 3HB ASP 34 16.349 8.117 16.027
243 H CYS 35 H CYS 35 14.558 5.953 14.403
244 HA CYS 35 HA CYS 35 14.174 4.790 16.925
245 HB2 CYS 35 2HB CYS 35 12.696 4.347 14.325
246 HB3 CYS 35 3HB CYS 35 12.146 3.754 15.887
247 H VAL 36 H VAL 36 15.090 3.376 13.818
248 HA VAL 36 HA VAL 36 15.150 0.693 14.885
249 HB VAL 36 HB VAL 36 16.138 0.111 12.654
250 HG11 VAL 36 1HG1 VAL 36 13.586 0.464 13.328
251 HG12 VAL 36 2HG1 VAL 36 13.696 1.676 12.051
252 HG13 VAL 36 3HG1 VAL 36 14.079 -0.010 11.703
253 HG21 VAL 36 3HG2 VAL 36 15.399 2.600 11.379
254 HG22 VAL 36 1HG2 VAL 36 16.699 2.830 12.549
255 HG23 VAL 36 2HG2 VAL 36 16.886 1.662 11.240
256 H GLY 37 H GLY 37 17.376 3.317 14.416
257 HA2 GLY 37 2HA GLY 37 19.396 3.389 15.724
258 HA3 GLY 37 3HA GLY 37 19.500 1.641 15.582
259 H ILE 38 H ILE 38 18.672 2.191 12.621
260 HA ILE 38 HA ILE 38 21.237 1.897 11.522
261 HB ILE 38 HB ILE 38 18.683 2.775 10.169
262 HG12 ILE 38 2HG1 ILE 38 18.554 0.563 11.250
263 HG13 ILE 38 3HG1 ILE 38 18.496 0.431 9.496
264 HG21 ILE 38 1HG2 ILE 38 20.311 3.395 8.649
265 HG22 ILE 38 2HG2 ILE 38 21.388 2.077 9.109
266 HG23 ILE 38 3HG2 ILE 38 19.947 1.744 8.149
267 HD11 ILE 38 3HD1 ILE 38 20.161 -1.014 9.582
268 HD12 ILE 38 1HD1 ILE 38 21.204 0.243 10.247
269 HD13 ILE 38 2HD1 ILE 38 20.283 -0.803 11.329
270 H SER 39 H SER 39 22.624 3.294 10.502
271 HA SER 39 HA SER 39 22.254 6.120 11.143
272 HB2 SER 39 2HB SER 39 24.731 4.864 9.965
273 HB3 SER 39 3HB SER 39 24.598 6.371 10.870
274 HG SER 39 HG SER 39 25.429 4.527 12.072
275 H GLU 40 H GLU 40 22.551 7.775 9.592
276 HA GLU 40 HA GLU 40 21.220 7.467 7.195
277 HB2 GLU 40 2HB GLU 40 21.581 9.653 8.163
278 HB3 GLU 40 3HB GLU 40 23.320 9.501 7.954
279 HG2 GLU 40 2HG GLU 40 23.061 9.536 5.545
280 HG3 GLU 40 3HG GLU 40 21.308 9.615 5.719
281 H ALA 41 H ALA 41 24.641 7.082 7.892
282 HA ALA 41 HA ALA 41 25.428 6.829 5.148
283 HB1 ALA 41 1HB ALA 41 27.046 5.798 7.447
284 HB2 ALA 41 2HB ALA 41 27.591 6.515 5.930
285 HB3 ALA 41 3HB ALA 41 26.865 7.532 7.175
286 H ARG 42 H ARG 42 24.468 4.635 7.707
287 HA ARG 42 HA ARG 42 25.310 2.249 6.392
288 HB2 ARG 42 2HB ARG 42 24.965 2.382 8.833
289 HB3 ARG 42 3HB ARG 42 23.243 2.619 8.567
290 HG2 ARG 42 2HG ARG 42 23.183 0.398 8.925
291 HG3 ARG 42 3HG ARG 42 23.585 0.338 7.208
292 HD2 ARG 42 2HD ARG 42 25.935 0.100 7.732
293 HD3 ARG 42 3HD ARG 42 25.597 0.280 9.453
294 HE ARG 42 HE ARG 42 24.143 -1.890 8.327
295 HH11 ARG 42 1HH1 ARG 42 27.297 -0.942 9.457
296 HH12 ARG 42 2HH1 ARG 42 27.780 -2.555 9.865
297 HH21 ARG 42 1HH2 ARG 42 24.767 -4.019 8.860
298 HH22 ARG 42 2HH2 ARG 42 26.341 -4.304 9.524
299 H GLY 43 H GLY 43 22.126 3.793 6.825
300 HA2 GLY 43 2HA GLY 43 20.633 1.941 5.350
301 HA3 GLY 43 3HA GLY 43 20.186 3.620 5.613
302 H ARG 44 H ARG 44 22.620 4.619 4.292
303 HA ARG 44 HA ARG 44 21.584 4.711 1.632
304 HB2 ARG 44 2HB ARG 44 22.884 6.532 2.929
305 HB3 ARG 44 3HB ARG 44 24.324 5.660 2.422
306 HG2 ARG 44 2HG ARG 44 24.136 7.237 0.769
307 HG3 ARG 44 3HG ARG 44 23.280 5.873 0.046
308 HD2 ARG 44 2HD ARG 44 21.495 7.171 -0.195
309 HD3 ARG 44 3HD ARG 44 21.384 7.292 1.561
310 HE ARG 44 HE ARG 44 23.281 9.143 0.719
311 HH11 ARG 44 1HH1 ARG 44 19.869 8.556 0.351
312 HH12 ARG 44 2HH1 ARG 44 19.468 10.232 0.163
313 HH21 ARG 44 1HH2 ARG 44 22.766 11.351 0.473
314 HH22 ARG 44 2HH2 ARG 44 21.118 11.820 0.232
315 H LEU 45 H LEU 45 24.001 2.834 3.264
316 HA LEU 45 HA LEU 45 25.393 1.974 0.921
317 HB2 LEU 45 2HB LEU 45 26.421 1.966 3.145
318 HB3 LEU 45 3HB LEU 45 25.265 0.744 3.672
319 HG LEU 45 HG LEU 45 26.241 -0.798 1.958
320 HD11 LEU 45 1HD1 LEU 45 28.160 -0.289 0.774
321 HD12 LEU 45 2HD1 LEU 45 28.586 1.052 1.836
322 HD13 LEU 45 3HD1 LEU 45 27.255 1.222 0.692
323 HD21 LEU 45 3HD2 LEU 45 27.692 -1.599 3.487
324 HD22 LEU 45 1HD2 LEU 45 27.000 -0.332 4.500
325 HD23 LEU 45 2HD2 LEU 45 28.528 -0.055 3.663
326 H LEU 46 H LEU 46 22.911 0.516 3.002
327 HA LEU 46 HA LEU 46 22.703 -1.948 1.725
328 HB2 LEU 46 2HB LEU 46 20.364 -0.458 2.882
329 HB3 LEU 46 3HB LEU 46 20.609 -2.201 2.796
330 HG LEU 46 HG LEU 46 22.044 -0.251 4.595
331 HD11 LEU 46 1HD1 LEU 46 20.892 -1.255 6.371
332 HD12 LEU 46 2HD1 LEU 46 20.361 -2.610 5.376
333 HD13 LEU 46 3HD1 LEU 46 19.669 -1.008 5.124
334 HD21 LEU 46 3HD2 LEU 46 23.176 -2.225 5.515
335 HD22 LEU 46 1HD2 LEU 46 23.600 -1.951 3.825
336 HD23 LEU 46 2HD2 LEU 46 22.452 -3.221 4.252
337 H GLU 47 H GLU 47 21.546 1.184 0.775
338 HA GLU 47 HA GLU 47 19.597 0.326 -1.100
339 HB2 GLU 47 2HB GLU 47 20.552 2.785 -0.113
340 HB3 GLU 47 3HB GLU 47 20.808 2.830 -1.852
341 HG2 GLU 47 2HG GLU 47 18.174 2.026 -0.673
342 HG3 GLU 47 3HG GLU 47 18.597 3.716 -0.941
343 H ARG 48 H ARG 48 23.024 1.177 -1.379
344 HA ARG 48 HA ARG 48 23.117 0.794 -4.209
345 HB2 ARG 48 2HB ARG 48 25.406 0.816 -2.235
346 HB3 ARG 48 3HB ARG 48 25.522 1.045 -3.974
347 HG2 ARG 48 2HG ARG 48 23.977 2.887 -2.169
348 HG3 ARG 48 3HG ARG 48 25.674 3.130 -2.592
349 HD2 ARG 48 2HD ARG 48 25.165 3.436 -4.873
350 HD3 ARG 48 3HD ARG 48 23.533 2.800 -4.674
351 HE ARG 48 HE ARG 48 23.725 5.041 -3.055
352 HH11 ARG 48 1HH1 ARG 48 23.920 4.281 -6.447
353 HH12 ARG 48 2HH1 ARG 48 23.330 5.827 -6.961
354 HH21 ARG 48 1HH2 ARG 48 22.947 7.080 -3.719
355 HH22 ARG 48 2HH2 ARG 48 22.777 7.418 -5.408
356 H ASN 49 H ASN 49 23.737 -1.210 -1.396
357 HA ASN 49 HA ASN 49 24.887 -3.368 -2.907
358 HB2 ASN 49 2HB ASN 49 24.124 -2.922 -0.054
359 HB3 ASN 49 3HB ASN 49 24.335 -4.578 -0.615
360 HD21 ASN 49 1HD2 ASN 49 25.894 -3.036 1.304
361 HD22 ASN 49 2HD2 ASN 49 27.517 -3.035 0.710
362 H GLY 50 H GLY 50 21.710 -2.353 -2.032
363 HA2 GLY 50 2HA GLY 50 19.670 -3.163 -2.746
364 HA3 GLY 50 3HA GLY 50 20.528 -4.405 -3.646
365 H GLU 51 H GLU 51 21.265 -4.114 -0.302
366 HA GLU 51 HA GLU 51 20.249 -6.758 0.199
367 HB2 GLU 51 2HB GLU 51 21.854 -4.759 1.726
368 HB3 GLU 51 3HB GLU 51 21.041 -6.035 2.621
369 HG2 GLU 51 2HG GLU 51 22.772 -6.682 0.272
370 HG3 GLU 51 3HG GLU 51 23.472 -6.393 1.863
371 H ASP 52 H ASP 52 18.254 -7.212 0.818
372 HA ASP 52 HA ASP 52 16.330 -5.248 1.446
373 HB2 ASP 52 2HB ASP 52 16.088 -8.168 2.159
374 HB3 ASP 52 3HB ASP 52 14.802 -7.037 1.745
375 H TYR 53 H TYR 53 16.717 -3.999 3.198
376 HA TYR 53 HA TYR 53 17.766 -4.999 5.649
377 HB2 TYR 53 2HB TYR 53 18.205 -2.725 5.228
378 HB3 TYR 53 3HB TYR 53 16.527 -2.385 4.820
379 HD1 TYR 53 HD2 TYR 53 18.920 -2.871 7.551
380 HD2 TYR 53 HD1 TYR 53 14.875 -2.005 6.555
381 HE1 TYR 53 HE2 TYR 53 18.516 -2.128 9.861
382 HE2 TYR 53 HE1 TYR 53 14.460 -1.259 8.861
383 HH TYR 53 HH TYR 53 17.027 -1.366 11.317
384 H ILE 54 H ILE 54 16.732 -5.303 7.629
385 HA ILE 54 HA ILE 54 13.794 -5.468 7.538
386 HB ILE 54 HB ILE 54 15.659 -7.502 8.764
387 HG12 ILE 54 2HG1 ILE 54 13.714 -7.687 6.454
388 HG13 ILE 54 3HG1 ILE 54 15.470 -7.712 6.336
389 HG21 ILE 54 1HG2 ILE 54 13.708 -7.165 10.169
390 HG22 ILE 54 2HG2 ILE 54 12.647 -7.374 8.777
391 HG23 ILE 54 3HG2 ILE 54 13.616 -8.728 9.358
392 HD11 ILE 54 3HD1 ILE 54 15.510 -9.810 7.596
393 HD12 ILE 54 1HD1 ILE 54 13.749 -9.788 7.669
394 HD13 ILE 54 2HD1 ILE 54 14.565 -9.940 6.113
395 H CYS 55 H CYS 55 13.057 -3.997 8.919
396 HA CYS 55 HA CYS 55 14.394 -2.673 10.901
397 HB2 CYS 55 2HB CYS 55 12.171 -2.196 11.904
398 HB3 CYS 55 3HB CYS 55 12.201 -1.962 10.161
399 HA PRO 56 HA PRO 56 15.039 -5.369 14.300
400 HB2 PRO 56 2HB PRO 56 14.702 -3.686 16.404
401 HB3 PRO 56 3HB PRO 56 16.111 -3.621 15.338
402 HG2 PRO 56 2HG PRO 56 13.643 -1.926 15.322
403 HG3 PRO 56 3HG PRO 56 15.336 -1.440 15.120
404 HD2 PRO 56 2HD PRO 56 13.645 -1.731 13.026
405 HD3 PRO 56 3HD PRO 56 15.384 -2.067 12.903
406 H ASN 57 H ASN 57 12.017 -3.978 13.709
407 HA ASN 57 HA ASN 57 10.674 -5.059 16.025
408 HB2 ASN 57 2HB ASN 57 10.085 -3.085 14.130
409 HB3 ASN 57 3HB ASN 57 8.912 -4.364 13.832
410 HD21 ASN 57 1HD2 ASN 57 8.227 -1.832 14.760
411 HD22 ASN 57 2HD2 ASN 57 7.603 -1.982 16.364
412 H CYS 58 H CYS 58 10.977 -5.848 12.592
413 HA CYS 58 HA CYS 58 9.220 -8.110 12.752
414 HB2 CYS 58 2HB CYS 58 11.111 -7.098 10.633
415 HB3 CYS 58 3HB CYS 58 10.218 -8.602 10.447
416 H THR 59 H THR 59 12.728 -7.638 12.633
417 HA THR 59 HA THR 59 13.590 -10.245 12.434
418 HB THR 59 HB THR 59 15.052 -8.197 12.481
419 HG1 THR 59 HG1 THR 59 15.806 -10.344 14.202
420 HG21 THR 59 3HG2 THR 59 14.100 -7.251 14.575
421 HG22 THR 59 1HG2 THR 59 15.859 -7.370 14.599
422 HG23 THR 59 2HG2 THR 59 14.884 -8.550 15.475
423 H ILE 60 H ILE 60 12.198 -8.610 15.183
424 HA ILE 60 HA ILE 60 12.693 -10.970 16.864
425 HB ILE 60 HB ILE 60 12.126 -9.581 18.779
426 HG12 ILE 60 2HG1 ILE 60 12.047 -6.989 18.068
427 HG13 ILE 60 3HG1 ILE 60 11.290 -7.693 16.643
428 HG21 ILE 60 1HG2 ILE 60 14.421 -9.468 17.352
429 HG22 ILE 60 2HG2 ILE 60 13.988 -7.760 17.416
430 HG23 ILE 60 3HG2 ILE 60 14.183 -8.677 18.910
431 HD11 ILE 60 3HD1 ILE 60 10.323 -8.493 19.340
432 HD12 ILE 60 1HD1 ILE 60 9.855 -6.927 18.679
433 HD13 ILE 60 2HD1 ILE 60 9.455 -8.408 17.808
434 H LEU 61 H LEU 61 10.263 -9.282 15.148
435 HA LEU 61 HA LEU 61 7.953 -9.777 16.571
436 HB2 LEU 61 2HB LEU 61 7.828 -8.464 14.611
437 HB3 LEU 61 3HB LEU 61 8.490 -9.758 13.614
438 HG LEU 61 HG LEU 61 6.390 -11.040 13.989
439 HD11 LEU 61 1HD1 LEU 61 5.439 -8.466 15.238
440 HD12 LEU 61 2HD1 LEU 61 5.711 -9.989 16.085
441 HD13 LEU 61 3HD1 LEU 61 4.441 -9.873 14.868
442 HD21 LEU 61 3HD2 LEU 61 5.603 -10.153 12.102
443 HD22 LEU 61 1HD2 LEU 61 6.906 -8.972 12.235
444 HD23 LEU 61 2HD2 LEU 61 5.303 -8.591 12.866
Start of MODEL 15
1 H1 GLY 1 H GLY 1 5.099 -0.905 0.030
2 HA2 GLY 1 2HA GLY 1 6.933 -0.518 -1.332
3 HA3 GLY 1 3HA GLY 1 5.882 -0.673 -2.732
4 H SER 2 H SER 2 4.141 1.253 -2.676
5 HA SER 2 HA SER 2 5.767 3.658 -2.856
6 HB2 SER 2 2HB SER 2 2.979 4.039 -3.541
7 HB3 SER 2 3HB SER 2 4.410 4.200 -4.559
8 HG SER 2 HG SER 2 2.588 2.297 -4.630
9 H MET 3 H MET 3 5.978 4.841 -1.076
10 HA MET 3 HA MET 3 3.790 4.954 0.860
11 HB2 MET 3 2HB MET 3 5.369 5.786 2.427
12 HB3 MET 3 3HB MET 3 6.171 4.480 1.563
13 HG2 MET 3 2HG MET 3 7.837 5.859 1.123
14 HG3 MET 3 3HG MET 3 6.741 6.806 0.121
15 HE1 MET 3 3HE MET 3 9.216 8.041 3.245
16 HE2 MET 3 1HE MET 3 8.134 7.091 4.263
17 HE3 MET 3 2HE MET 3 8.868 6.360 2.836
18 H ASP 4 H ASP 4 3.405 7.125 1.906
19 HA ASP 4 HA ASP 4 3.603 9.310 -0.054
20 HB2 ASP 4 2HB ASP 4 1.195 8.093 1.112
21 HB3 ASP 4 3HB ASP 4 1.242 9.850 1.224
22 HA PRO 5 HA PRO 5 4.955 11.894 3.221
23 HB2 PRO 5 2HB PRO 5 3.751 14.257 2.642
24 HB3 PRO 5 3HB PRO 5 5.091 13.603 1.692
25 HG2 PRO 5 2HG PRO 5 2.151 13.512 1.134
26 HG3 PRO 5 3HG PRO 5 3.491 13.848 0.022
27 HD2 PRO 5 2HD PRO 5 2.278 11.431 0.153
28 HD3 PRO 5 3HD PRO 5 3.999 11.616 -0.240
29 H ASN 6 H ASN 6 1.465 12.002 2.615
30 HA ASN 6 HA ASN 6 0.964 12.818 5.370
31 HB2 ASN 6 2HB ASN 6 -1.421 12.923 4.631
32 HB3 ASN 6 3HB ASN 6 -0.347 13.959 3.695
33 HD21 ASN 6 1HD2 ASN 6 -0.270 13.722 1.555
34 HD22 ASN 6 2HD2 ASN 6 -1.064 12.471 0.666
35 H ALA 7 H ALA 7 2.128 10.321 5.198
36 HA ALA 7 HA ALA 7 -0.066 8.621 6.157
37 HB1 ALA 7 1HB ALA 7 2.001 7.908 4.108
38 HB2 ALA 7 2HB ALA 7 1.235 6.670 5.104
39 HB3 ALA 7 3HB ALA 7 0.253 7.685 4.048
40 H LEU 8 H LEU 8 0.706 6.808 7.512
41 HA LEU 8 HA LEU 8 3.205 7.497 8.913
42 HB2 LEU 8 2HB LEU 8 0.643 6.421 10.081
43 HB3 LEU 8 3HB LEU 8 2.145 6.654 10.974
44 HG LEU 8 HG LEU 8 0.392 8.797 9.776
45 HD11 LEU 8 1HD1 LEU 8 -0.601 8.826 11.754
46 HD12 LEU 8 2HD1 LEU 8 0.948 9.146 12.532
47 HD13 LEU 8 3HD1 LEU 8 0.408 7.484 12.294
48 HD21 LEU 8 3HD2 LEU 8 2.335 9.909 9.556
49 HD22 LEU 8 1HD2 LEU 8 3.204 8.818 10.635
50 HD23 LEU 8 2HD2 LEU 8 2.202 10.106 11.304
51 H TYR 9 H TYR 9 4.491 5.808 9.657
52 HA TYR 9 HA TYR 9 3.677 3.071 9.072
53 HB2 TYR 9 2HB TYR 9 6.320 4.069 8.028
54 HB3 TYR 9 3HB TYR 9 5.497 2.560 7.653
55 HD1 TYR 9 HD2 TYR 9 5.535 6.191 7.041
56 HD2 TYR 9 HD1 TYR 9 3.808 2.457 5.955
57 HE1 TYR 9 HE2 TYR 9 4.535 7.238 5.053
58 HE2 TYR 9 HE1 TYR 9 2.804 3.493 3.963
59 HH TYR 9 HH TYR 9 2.241 5.548 3.043
60 H CYS 10 H CYS 10 6.536 4.992 10.004
61 HA CYS 10 HA CYS 10 7.843 3.154 11.556
62 HB2 CYS 10 2HB CYS 10 8.605 5.493 10.980
63 HB3 CYS 10 3HB CYS 10 7.593 6.071 12.298
64 H ILE 11 H ILE 11 7.974 2.842 13.866
65 HA ILE 11 HA ILE 11 5.550 2.202 15.061
66 HB ILE 11 HB ILE 11 6.813 2.017 17.186
67 HG12 ILE 11 2HG1 ILE 11 9.074 3.158 15.530
68 HG13 ILE 11 3HG1 ILE 11 8.312 3.921 16.921
69 HG21 ILE 11 1HG2 ILE 11 7.031 0.495 14.913
70 HG22 ILE 11 2HG2 ILE 11 8.713 0.766 15.365
71 HG23 ILE 11 3HG2 ILE 11 7.598 0.034 16.518
72 HD11 ILE 11 3HD1 ILE 11 9.157 2.163 18.365
73 HD12 ILE 11 1HD1 ILE 11 9.888 1.359 16.977
74 HD13 ILE 11 2HD1 ILE 11 10.470 2.945 17.486
75 H CYS 12 H CYS 12 7.447 5.154 15.236
76 HA CYS 12 HA CYS 12 5.905 6.333 17.336
77 HB2 CYS 12 2HB CYS 12 7.129 8.391 16.792
78 HB3 CYS 12 3HB CYS 12 8.220 7.017 16.924
79 H ARG 13 H ARG 13 5.400 5.866 14.016
80 HA ARG 13 HA ARG 13 3.765 6.523 12.577
81 HB2 ARG 13 2HB ARG 13 2.586 6.919 15.249
82 HB3 ARG 13 3HB ARG 13 1.822 7.838 13.960
83 HG2 ARG 13 2HG ARG 13 0.620 5.835 14.086
84 HG3 ARG 13 3HG ARG 13 1.680 5.646 12.687
85 HD2 ARG 13 2HD ARG 13 3.080 4.159 13.790
86 HD3 ARG 13 3HD ARG 13 2.553 4.695 15.385
87 HE ARG 13 HE ARG 13 1.298 2.710 13.712
88 HH11 ARG 13 1HH1 ARG 13 0.896 4.923 16.369
89 HH12 ARG 13 2HH1 ARG 13 -0.439 4.059 17.056
90 HH21 ARG 13 1HH2 ARG 13 -0.459 1.564 14.607
91 HH22 ARG 13 2HH2 ARG 13 -1.209 2.148 16.054
92 H GLN 14 H GLN 14 5.550 8.055 11.940
93 HA GLN 14 HA GLN 14 4.516 10.798 12.070
94 HB2 GLN 14 2HB GLN 14 7.233 9.835 12.824
95 HB3 GLN 14 3HB GLN 14 7.110 11.379 11.991
96 HG2 GLN 14 2HG GLN 14 5.797 10.625 14.590
97 HG3 GLN 14 3HG GLN 14 7.148 11.736 14.366
98 HE21 GLN 14 1HE2 GLN 14 6.769 13.792 13.622
99 HE22 GLN 14 2HE2 GLN 14 5.185 14.469 13.491
100 HA PRO 15 HA PRO 15 5.149 10.960 7.734
101 HB2 PRO 15 2HB PRO 15 5.960 13.523 7.359
102 HB3 PRO 15 3HB PRO 15 4.300 13.094 7.786
103 HG2 PRO 15 2HG PRO 15 6.515 14.073 9.545
104 HG3 PRO 15 3HG PRO 15 4.806 14.544 9.532
105 HD2 PRO 15 2HD PRO 15 5.823 12.798 11.335
106 HD3 PRO 15 3HD PRO 15 4.156 12.687 10.734
107 H HIS 16 H HIS 16 6.704 10.912 6.089
108 HA HIS 16 HA HIS 16 9.383 10.358 6.979
109 HB2 HIS 16 2HB HIS 16 9.777 9.507 4.830
110 HB3 HIS 16 3HB HIS 16 8.073 9.157 5.110
111 HD1 HIS 16 HD1 HIS 16 9.768 9.764 2.335
112 HD2 HIS 16 HD2 HIS 16 6.863 12.085 4.190
113 HE1 HIS 16 HE1 HIS 16 8.823 11.232 0.525
114 H ASN 17 H ASN 17 7.801 13.164 6.296
115 HA ASN 17 HA ASN 17 9.996 14.496 4.935
116 HB2 ASN 17 2HB ASN 17 8.452 16.529 5.254
117 HB3 ASN 17 3HB ASN 17 7.900 15.250 4.177
118 HD21 ASN 17 1HD2 ASN 17 7.764 16.142 7.608
119 HD22 ASN 17 2HD2 ASN 17 6.110 15.695 7.833
120 H ASN 18 H ASN 18 10.792 13.470 7.373
121 HA ASN 18 HA ASN 18 11.267 15.937 8.902
122 HB2 ASN 18 2HB ASN 18 10.193 13.344 9.846
123 HB3 ASN 18 3HB ASN 18 11.431 14.077 10.861
124 HD21 ASN 18 1HD2 ASN 18 8.408 13.673 11.013
125 HD22 ASN 18 2HD2 ASN 18 7.819 15.222 11.502
126 H ARG 19 H ARG 19 12.383 12.611 9.402
127 HA ARG 19 HA ARG 19 15.125 13.526 8.830
128 HB2 ARG 19 2HB ARG 19 15.955 12.135 10.616
129 HB3 ARG 19 3HB ARG 19 14.707 13.194 11.258
130 HG2 ARG 19 2HG ARG 19 13.428 10.821 10.427
131 HG3 ARG 19 3HG ARG 19 14.866 10.353 11.338
132 HD2 ARG 19 2HD ARG 19 13.052 12.484 12.391
133 HD3 ARG 19 3HD ARG 19 12.619 10.786 12.583
134 HE ARG 19 HE ARG 19 15.291 11.387 13.443
135 HH11 ARG 19 1HH1 ARG 19 11.935 11.342 14.369
136 HH12 ARG 19 2HH1 ARG 19 12.270 11.210 16.064
137 HH21 ARG 19 1HH2 ARG 19 15.744 11.213 15.672
138 HH22 ARG 19 2HH2 ARG 19 14.437 11.138 16.804
139 H PHE 20 H PHE 20 16.559 11.332 8.792
140 HA PHE 20 HA PHE 20 16.021 10.111 6.362
141 HB2 PHE 20 2HB PHE 20 18.248 10.058 7.253
142 HB3 PHE 20 3HB PHE 20 17.715 9.177 8.681
143 HD1 PHE 20 HD2 PHE 20 18.525 8.938 5.126
144 HD2 PHE 20 HD1 PHE 20 17.274 6.807 8.591
145 HE1 PHE 20 HE2 PHE 20 19.030 6.812 3.996
146 HE2 PHE 20 HE1 PHE 20 17.778 4.677 7.468
147 HZ PHE 20 HZ PHE 20 18.656 4.678 5.167
148 H MET 21 H MET 21 15.230 8.082 5.763
149 HA MET 21 HA MET 21 13.876 6.494 7.811
150 HB2 MET 21 2HB MET 21 12.570 7.970 5.582
151 HB3 MET 21 3HB MET 21 11.968 6.359 5.948
152 HG2 MET 21 2HG MET 21 11.903 7.249 8.397
153 HG3 MET 21 3HG MET 21 11.907 8.827 7.612
154 HE1 MET 21 3HE MET 21 10.206 5.501 8.188
155 HE2 MET 21 1HE MET 21 9.457 6.636 9.312
156 HE3 MET 21 2HE MET 21 8.494 5.899 8.031
157 H ILE 22 H ILE 22 13.464 4.327 7.201
158 HA ILE 22 HA ILE 22 14.901 3.462 4.776
159 HB ILE 22 HB ILE 22 16.074 2.892 6.916
160 HG12 ILE 22 2HG1 ILE 22 15.134 0.389 5.533
161 HG13 ILE 22 3HG1 ILE 22 16.152 1.564 4.707
162 HG21 ILE 22 1HG2 ILE 22 15.010 1.947 8.620
163 HG22 ILE 22 2HG2 ILE 22 13.507 2.125 7.717
164 HG23 ILE 22 3HG2 ILE 22 14.437 0.631 7.596
165 HD11 ILE 22 3HD1 ILE 22 16.854 0.131 7.257
166 HD12 ILE 22 1HD1 ILE 22 17.447 -0.277 5.647
167 HD13 ILE 22 2HD1 ILE 22 17.880 1.267 6.382
168 H CYS 23 H CYS 23 14.120 1.559 3.735
169 HA CYS 23 HA CYS 23 11.246 1.135 4.174
170 HB2 CYS 23 2HB CYS 23 11.819 1.954 1.950
171 HB3 CYS 23 3HB CYS 23 12.952 0.625 1.729
172 HG CYS 23 HG CYS 23 9.904 -0.476 2.448
173 H CYS 24 H CYS 24 10.579 -0.725 5.005
174 HA CYS 24 HA CYS 24 12.470 -2.959 5.149
175 HB2 CYS 24 2HB CYS 24 11.599 -2.282 7.291
176 HB3 CYS 24 3HB CYS 24 9.945 -2.357 6.696
177 H ASP 25 H ASP 25 12.245 -4.630 3.831
178 HA ASP 25 HA ASP 25 9.962 -4.863 2.107
179 HB2 ASP 25 2HB ASP 25 12.602 -6.187 2.372
180 HB3 ASP 25 3HB ASP 25 11.320 -7.142 1.632
181 H ARG 26 H ARG 26 11.010 -6.303 5.083
182 HA ARG 26 HA ARG 26 9.630 -8.703 5.094
183 HB2 ARG 26 2HB ARG 26 11.176 -7.446 6.888
184 HB3 ARG 26 3HB ARG 26 9.604 -7.117 7.604
185 HG2 ARG 26 2HG ARG 26 10.582 -9.869 6.880
186 HG3 ARG 26 3HG ARG 26 10.731 -9.148 8.484
187 HD2 ARG 26 2HD ARG 26 8.356 -9.018 8.720
188 HD3 ARG 26 3HD ARG 26 8.111 -9.486 7.038
189 HE ARG 26 HE ARG 26 9.544 -11.494 8.422
190 HH11 ARG 26 1HH1 ARG 26 6.356 -10.131 8.104
191 HH12 ARG 26 2HH1 ARG 26 5.543 -11.598 8.537
192 HH21 ARG 26 1HH2 ARG 26 8.485 -13.432 8.993
193 HH22 ARG 26 2HH2 ARG 26 6.756 -13.475 9.043
194 H CYS 27 H CYS 27 8.465 -5.712 6.655
195 HA CYS 27 HA CYS 27 5.731 -6.709 6.442
196 HB2 CYS 27 2HB CYS 27 5.177 -4.760 7.897
197 HB3 CYS 27 3HB CYS 27 6.356 -5.855 8.610
198 H GLU 28 H GLU 28 7.825 -4.802 4.677
199 HA GLU 28 HA GLU 28 7.555 -3.474 2.849
200 HB2 GLU 28 2HB GLU 28 4.601 -4.057 2.978
201 HB3 GLU 28 3HB GLU 28 5.560 -3.627 1.569
202 HG2 GLU 28 2HG GLU 28 6.814 -5.883 2.298
203 HG3 GLU 28 3HG GLU 28 5.190 -6.233 2.888
204 H GLU 29 H GLU 29 7.791 -2.120 5.129
205 HA GLU 29 HA GLU 29 5.991 0.158 4.724
206 HB2 GLU 29 2HB GLU 29 5.984 -1.539 7.018
207 HB3 GLU 29 3HB GLU 29 6.619 0.029 7.498
208 HG2 GLU 29 2HG GLU 29 4.554 0.797 7.616
209 HG3 GLU 29 3HG GLU 29 4.379 0.540 5.881
210 H TRP 30 H TRP 30 6.934 1.915 6.522
211 HA TRP 30 HA TRP 30 9.804 2.118 5.883
212 HB2 TRP 30 2HB TRP 30 7.631 4.191 5.848
213 HB3 TRP 30 3HB TRP 30 9.310 4.664 6.096
214 HD1 TRP 30 HD1 TRP 30 6.935 3.330 3.427
215 HE1 TRP 30 HE1 TRP 30 8.083 3.509 1.130
216 HE3 TRP 30 HE3 TRP 30 11.624 4.665 4.965
217 HZ2 TRP 30 HZ2 TRP 30 10.638 4.133 0.106
218 HZ3 TRP 30 HZ3 TRP 30 13.363 5.033 3.264
219 HH2 TRP 30 HH2 TRP 30 12.879 4.772 0.885
220 H PHE 31 H PHE 31 11.155 3.147 7.431
221 HA PHE 31 HA PHE 31 10.020 3.609 10.082
222 HB2 PHE 31 2HB PHE 31 12.255 1.653 9.517
223 HB3 PHE 31 3HB PHE 31 11.822 2.225 11.124
224 HD1 PHE 31 HD1 PHE 31 10.739 0.197 8.262
225 HD2 PHE 31 HD2 PHE 31 9.889 1.399 12.256
226 HE1 PHE 31 HE1 PHE 31 9.067 -1.599 8.443
227 HE2 PHE 31 HE2 PHE 31 8.217 -0.396 12.444
228 HZ PHE 31 HZ PHE 31 7.805 -1.899 10.536
229 H HIS 32 H HIS 32 11.776 4.456 11.602
230 HA HIS 32 HA HIS 32 13.344 6.437 10.118
231 HB2 HIS 32 2HB HIS 32 12.251 6.324 12.912
232 HB3 HIS 32 3HB HIS 32 13.564 7.428 12.513
233 HD2 HIS 32 HD2 HIS 32 12.588 8.795 9.826
234 HE1 HIS 32 HE1 HIS 32 8.871 9.413 11.774
235 HE2 HIS 32 HE2 HIS 32 10.314 10.026 9.803
236 H GLY 33 H GLY 33 15.497 6.345 10.026
237 HA2 GLY 33 2HA GLY 33 16.990 4.161 10.822
238 HA3 GLY 33 3HA GLY 33 17.668 5.745 10.477
239 H ASP 34 H ASP 34 16.125 6.992 12.672
240 HA ASP 34 HA ASP 34 18.051 6.549 14.748
241 HB2 ASP 34 2HB ASP 34 16.685 8.724 14.039
242 HB3 ASP 34 3HB ASP 34 15.576 8.123 15.269
243 H CYS 35 H CYS 35 14.584 5.922 14.359
244 HA CYS 35 HA CYS 35 14.153 4.874 16.940
245 HB2 CYS 35 2HB CYS 35 12.677 4.405 14.343
246 HB3 CYS 35 3HB CYS 35 12.111 3.842 15.911
247 H VAL 36 H VAL 36 14.982 3.328 13.863
248 HA VAL 36 HA VAL 36 15.020 0.690 15.035
249 HB VAL 36 HB VAL 36 15.919 -0.014 12.813
250 HG11 VAL 36 1HG1 VAL 36 13.848 0.012 11.810
251 HG12 VAL 36 2HG1 VAL 36 13.419 0.372 13.484
252 HG13 VAL 36 3HG1 VAL 36 13.513 1.673 12.296
253 HG21 VAL 36 3HG2 VAL 36 15.278 2.432 11.425
254 HG22 VAL 36 1HG2 VAL 36 16.581 2.686 12.586
255 HG23 VAL 36 2HG2 VAL 36 16.736 1.444 11.343
256 H GLY 37 H GLY 37 17.275 3.256 14.455
257 HA2 GLY 37 2HA GLY 37 19.323 3.316 15.723
258 HA3 GLY 37 3HA GLY 37 19.403 1.565 15.593
259 H ILE 38 H ILE 38 18.527 2.055 12.653
260 HA ILE 38 HA ILE 38 21.084 1.774 11.517
261 HB ILE 38 HB ILE 38 18.490 2.541 10.174
262 HG12 ILE 38 2HG1 ILE 38 18.429 0.374 11.363
263 HG13 ILE 38 3HG1 ILE 38 18.316 0.172 9.618
264 HG21 ILE 38 1HG2 ILE 38 19.866 1.319 8.243
265 HG22 ILE 38 2HG2 ILE 38 19.936 3.061 8.508
266 HG23 ILE 38 3HG2 ILE 38 21.212 2.021 9.140
267 HD11 ILE 38 3HD1 ILE 38 20.083 -1.085 11.368
268 HD12 ILE 38 1HD1 ILE 38 20.093 -1.141 9.606
269 HD13 ILE 38 2HD1 ILE 38 21.057 0.067 10.456
270 H SER 39 H SER 39 22.532 3.198 10.770
271 HA SER 39 HA SER 39 21.969 6.033 11.121
272 HB2 SER 39 2HB SER 39 24.133 6.163 11.686
273 HB3 SER 39 3HB SER 39 24.253 4.417 11.469
274 HG SER 39 HG SER 39 25.726 5.788 10.188
275 H GLU 40 H GLU 40 23.095 7.493 9.412
276 HA GLU 40 HA GLU 40 21.735 7.093 6.955
277 HB2 GLU 40 2HB GLU 40 22.120 9.334 7.750
278 HB3 GLU 40 3HB GLU 40 23.859 9.078 7.772
279 HG2 GLU 40 2HG GLU 40 23.853 8.863 5.334
280 HG3 GLU 40 3HG GLU 40 22.113 9.146 5.321
281 H ALA 41 H ALA 41 24.778 6.075 8.120
282 HA ALA 41 HA ALA 41 26.094 5.871 5.579
283 HB1 ALA 41 1HB ALA 41 26.854 5.666 8.276
284 HB2 ALA 41 2HB ALA 41 27.219 4.107 7.534
285 HB3 ALA 41 3HB ALA 41 27.890 5.588 6.851
286 H ARG 42 H ARG 42 24.693 3.495 7.839
287 HA ARG 42 HA ARG 42 25.045 1.287 6.092
288 HB2 ARG 42 2HB ARG 42 23.152 1.609 8.428
289 HB3 ARG 42 3HB ARG 42 23.566 0.087 7.650
290 HG2 ARG 42 2HG ARG 42 26.010 1.239 8.339
291 HG3 ARG 42 3HG ARG 42 24.950 1.523 9.721
292 HD2 ARG 42 2HD ARG 42 24.671 -0.719 10.140
293 HD3 ARG 42 3HD ARG 42 24.983 -1.178 8.467
294 HE ARG 42 HE ARG 42 26.898 -0.958 10.566
295 HH11 ARG 42 1HH1 ARG 42 26.454 -0.583 7.133
296 HH12 ARG 42 2HH1 ARG 42 28.118 -0.878 6.754
297 HH21 ARG 42 1HH2 ARG 42 29.092 -1.349 10.079
298 HH22 ARG 42 2HH2 ARG 42 29.618 -1.315 8.430
299 H GLY 43 H GLY 43 22.169 3.206 6.966
300 HA2 GLY 43 2HA GLY 43 20.283 1.928 5.405
301 HA3 GLY 43 3HA GLY 43 20.247 3.643 5.786
302 H ARG 44 H ARG 44 22.806 4.127 4.397
303 HA ARG 44 HA ARG 44 21.696 4.522 1.766
304 HB2 ARG 44 2HB ARG 44 23.180 6.163 3.050
305 HB3 ARG 44 3HB ARG 44 24.525 5.118 2.613
306 HG2 ARG 44 2HG ARG 44 24.609 6.675 0.939
307 HG3 ARG 44 3HG ARG 44 23.603 5.434 0.191
308 HD2 ARG 44 2HD ARG 44 22.040 6.978 -0.138
309 HD3 ARG 44 3HD ARG 44 21.846 7.088 1.611
310 HE ARG 44 HE ARG 44 23.999 8.690 0.985
311 HH11 ARG 44 1HH1 ARG 44 20.621 8.540 0.158
312 HH12 ARG 44 2HH1 ARG 44 20.469 10.250 -0.077
313 HH21 ARG 44 1HH2 ARG 44 23.812 10.942 0.679
314 HH22 ARG 44 2HH2 ARG 44 22.284 11.615 0.219
315 H LEU 45 H LEU 45 24.226 2.551 3.234
316 HA LEU 45 HA LEU 45 25.398 1.552 0.902
317 HB2 LEU 45 2HB LEU 45 25.718 1.186 3.621
318 HB3 LEU 45 3HB LEU 45 25.224 -0.405 3.047
319 HG LEU 45 HG LEU 45 27.155 0.166 1.253
320 HD11 LEU 45 1HD1 LEU 45 28.574 1.095 3.646
321 HD12 LEU 45 2HD1 LEU 45 27.455 2.264 2.946
322 HD13 LEU 45 3HD1 LEU 45 28.746 1.580 1.959
323 HD21 LEU 45 3HD2 LEU 45 28.262 -1.561 2.218
324 HD22 LEU 45 1HD2 LEU 45 26.744 -1.717 3.101
325 HD23 LEU 45 2HD2 LEU 45 28.116 -0.894 3.844
326 H LEU 46 H LEU 46 22.786 0.168 2.888
327 HA LEU 46 HA LEU 46 22.322 -2.050 1.193
328 HB2 LEU 46 2HB LEU 46 20.690 -0.699 3.320
329 HB3 LEU 46 3HB LEU 46 20.069 -2.074 2.408
330 HG LEU 46 HG LEU 46 22.089 -3.362 3.230
331 HD11 LEU 46 1HD1 LEU 46 23.084 -2.485 5.339
332 HD12 LEU 46 2HD1 LEU 46 22.305 -0.939 5.006
333 HD13 LEU 46 3HD1 LEU 46 23.522 -1.569 3.897
334 HD21 LEU 46 3HD2 LEU 46 20.250 -2.388 5.406
335 HD22 LEU 46 1HD2 LEU 46 21.032 -3.963 5.269
336 HD23 LEU 46 2HD2 LEU 46 19.751 -3.514 4.143
337 H GLU 47 H GLU 47 21.281 1.253 1.119
338 HA GLU 47 HA GLU 47 19.055 0.833 -0.639
339 HB2 GLU 47 2HB GLU 47 20.395 3.128 0.626
340 HB3 GLU 47 3HB GLU 47 19.704 3.467 -0.954
341 HG2 GLU 47 2HG GLU 47 17.553 2.476 -0.101
342 HG3 GLU 47 3HG GLU 47 18.289 2.474 1.501
343 H ARG 48 H ARG 48 22.448 1.687 -1.011
344 HA ARG 48 HA ARG 48 22.195 2.138 -3.853
345 HB2 ARG 48 2HB ARG 48 23.988 2.973 -1.950
346 HB3 ARG 48 3HB ARG 48 24.894 1.716 -2.781
347 HG2 ARG 48 2HG ARG 48 25.429 3.716 -3.882
348 HG3 ARG 48 3HG ARG 48 24.280 2.892 -4.938
349 HD2 ARG 48 2HD ARG 48 22.504 4.314 -4.252
350 HD3 ARG 48 3HD ARG 48 23.466 4.986 -2.936
351 HE ARG 48 HE ARG 48 24.826 5.541 -5.284
352 HH11 ARG 48 1HH1 ARG 48 21.753 6.311 -3.841
353 HH12 ARG 48 2HH1 ARG 48 21.621 7.849 -4.628
354 HH21 ARG 48 1HH2 ARG 48 24.664 7.563 -6.327
355 HH22 ARG 48 2HH2 ARG 48 23.277 8.560 -6.042
356 H ASN 49 H ASN 49 23.369 -0.403 -1.711
357 HA ASN 49 HA ASN 49 24.286 -2.045 -3.904
358 HB2 ASN 49 2HB ASN 49 24.116 -2.441 -0.922
359 HB3 ASN 49 3HB ASN 49 24.554 -3.760 -2.005
360 HD21 ASN 49 1HD2 ASN 49 26.104 -2.419 0.081
361 HD22 ASN 49 2HD2 ASN 49 27.532 -1.832 -0.696
362 H GLY 50 H GLY 50 21.381 -1.598 -2.097
363 HA2 GLY 50 2HA GLY 50 19.270 -2.435 -2.574
364 HA3 GLY 50 3HA GLY 50 19.991 -3.468 -3.799
365 H GLU 51 H GLU 51 20.554 -3.195 -0.295
366 HA GLU 51 HA GLU 51 20.259 -6.100 -0.098
367 HB2 GLU 51 2HB GLU 51 21.779 -4.050 1.356
368 HB3 GLU 51 3HB GLU 51 21.031 -5.258 2.391
369 HG2 GLU 51 2HG GLU 51 22.505 -6.236 0.020
370 HG3 GLU 51 3HG GLU 51 23.452 -5.558 1.343
371 H ASP 52 H ASP 52 18.287 -6.808 0.361
372 HA ASP 52 HA ASP 52 16.144 -5.341 1.295
373 HB2 ASP 52 2HB ASP 52 15.292 -7.661 2.099
374 HB3 ASP 52 3HB ASP 52 15.581 -7.408 0.379
375 H TYR 53 H TYR 53 16.279 -4.107 3.077
376 HA TYR 53 HA TYR 53 17.550 -5.110 5.485
377 HB2 TYR 53 2HB TYR 53 18.034 -2.841 5.071
378 HB3 TYR 53 3HB TYR 53 16.357 -2.461 4.694
379 HD1 TYR 53 HD1 TYR 53 18.784 -3.029 7.381
380 HD2 TYR 53 HD2 TYR 53 14.743 -2.067 6.461
381 HE1 TYR 53 HE1 TYR 53 18.434 -2.303 9.705
382 HE2 TYR 53 HE2 TYR 53 14.382 -1.337 8.781
383 HH TYR 53 HH TYR 53 17.019 -1.403 11.160
384 H ILE 54 H ILE 54 16.521 -5.410 7.468
385 HA ILE 54 HA ILE 54 13.579 -5.506 7.393
386 HB ILE 54 HB ILE 54 15.399 -7.595 8.597
387 HG12 ILE 54 2HG1 ILE 54 13.465 -7.708 6.273
388 HG13 ILE 54 3HG1 ILE 54 15.221 -7.780 6.169
389 HG21 ILE 54 1HG2 ILE 54 13.442 -7.220 9.992
390 HG22 ILE 54 2HG2 ILE 54 12.389 -7.412 8.591
391 HG23 ILE 54 3HG2 ILE 54 13.334 -8.781 9.178
392 HD11 ILE 54 3HD1 ILE 54 15.198 -9.892 7.398
393 HD12 ILE 54 1HD1 ILE 54 13.437 -9.820 7.476
394 HD13 ILE 54 2HD1 ILE 54 14.246 -9.979 5.916
395 H CYS 55 H CYS 55 12.894 -4.023 8.789
396 HA CYS 55 HA CYS 55 14.279 -2.763 10.782
397 HB2 CYS 55 2HB CYS 55 12.076 -2.219 11.792
398 HB3 CYS 55 3HB CYS 55 12.109 -1.973 10.050
399 HA PRO 56 HA PRO 56 14.834 -5.514 14.153
400 HB2 PRO 56 2HB PRO 56 14.553 -3.844 16.275
401 HB3 PRO 56 3HB PRO 56 15.963 -3.814 15.209
402 HG2 PRO 56 2HG PRO 56 13.552 -2.039 15.212
403 HG3 PRO 56 3HG PRO 56 15.260 -1.606 15.015
404 HD2 PRO 56 2HD PRO 56 13.560 -1.819 12.919
405 HD3 PRO 56 3HD PRO 56 15.287 -2.211 12.791
406 H ASN 57 H ASN 57 11.860 -4.025 13.572
407 HA ASN 57 HA ASN 57 10.481 -5.081 15.879
408 HB2 ASN 57 2HB ASN 57 9.956 -3.078 13.992
409 HB3 ASN 57 3HB ASN 57 8.740 -4.317 13.695
410 HD21 ASN 57 1HD2 ASN 57 8.134 -1.771 14.629
411 HD22 ASN 57 2HD2 ASN 57 7.514 -1.903 16.236
412 H CYS 58 H CYS 58 10.758 -5.851 12.439
413 HA CYS 58 HA CYS 58 8.934 -8.061 12.584
414 HB2 CYS 58 2HB CYS 58 10.856 -7.098 10.469
415 HB3 CYS 58 3HB CYS 58 9.900 -8.562 10.273
416 H THR 59 H THR 59 12.454 -7.691 12.464
417 HA THR 59 HA THR 59 13.241 -10.319 12.238
418 HB THR 59 HB THR 59 14.759 -8.312 12.311
419 HG1 THR 59 HG1 THR 59 15.630 -10.320 14.115
420 HG21 THR 59 3HG2 THR 59 15.592 -7.542 14.441
421 HG22 THR 59 1HG2 THR 59 14.580 -8.702 15.300
422 HG23 THR 59 2HG2 THR 59 13.838 -7.367 14.418
423 H ILE 60 H ILE 60 11.894 -8.675 15.005
424 HA ILE 60 HA ILE 60 12.312 -11.073 16.655
425 HB ILE 60 HB ILE 60 11.796 -9.687 18.590
426 HG12 ILE 60 2HG1 ILE 60 11.852 -7.079 17.866
427 HG13 ILE 60 3HG1 ILE 60 11.007 -7.764 16.482
428 HG21 ILE 60 1HG2 ILE 60 13.897 -8.911 18.734
429 HG22 ILE 60 2HG2 ILE 60 14.093 -9.640 17.141
430 HG23 ILE 60 3HG2 ILE 60 13.737 -7.919 17.285
431 HD11 ILE 60 3HD1 ILE 60 9.257 -7.247 17.851
432 HD12 ILE 60 1HD1 ILE 60 9.560 -8.916 18.332
433 HD13 ILE 60 2HD1 ILE 60 10.163 -7.589 19.325
434 H LEU 61 H LEU 61 9.919 -9.157 15.074
435 HA LEU 61 HA LEU 61 7.820 -10.883 16.209
436 HB2 LEU 61 2HB LEU 61 8.018 -8.163 16.575
437 HB3 LEU 61 3HB LEU 61 6.896 -8.299 15.223
438 HG LEU 61 HG LEU 61 5.844 -10.105 16.959
439 HD11 LEU 61 1HD1 LEU 61 5.782 -8.607 19.112
440 HD12 LEU 61 2HD1 LEU 61 7.357 -8.075 18.526
441 HD13 LEU 61 3HD1 LEU 61 7.073 -9.783 18.863
442 HD21 LEU 61 3HD2 LEU 61 4.058 -8.708 16.970
443 HD22 LEU 61 1HD2 LEU 61 4.991 -7.911 15.704
444 HD23 LEU 61 2HD2 LEU 61 5.029 -7.286 17.353
Start of MODEL 16
1 H1 GLY 1 H GLY 1 4.735 -1.827 -3.493
2 HA2 GLY 1 2HA GLY 1 4.037 -0.009 -4.802
3 HA3 GLY 1 3HA GLY 1 3.202 0.308 -3.288
4 H SER 2 H SER 2 3.348 2.373 -2.753
5 HA SER 2 HA SER 2 5.951 3.655 -2.669
6 HB2 SER 2 2HB SER 2 3.992 5.443 -3.905
7 HB3 SER 2 3HB SER 2 5.672 5.135 -4.347
8 HG SER 2 HG SER 2 3.379 4.105 -5.401
9 H MET 3 H MET 3 6.104 4.671 -0.790
10 HA MET 3 HA MET 3 3.853 5.033 0.914
11 HB2 MET 3 2HB MET 3 5.404 5.888 2.520
12 HB3 MET 3 3HB MET 3 6.193 4.557 1.685
13 HG2 MET 3 2HG MET 3 7.900 5.901 1.289
14 HG3 MET 3 3HG MET 3 6.854 6.835 0.222
15 HE1 MET 3 3HE MET 3 7.829 7.360 4.551
16 HE2 MET 3 1HE MET 3 8.448 6.203 3.373
17 HE3 MET 3 2HE MET 3 9.187 7.798 3.515
18 H ASP 4 H ASP 4 3.468 7.190 2.021
19 HA ASP 4 HA ASP 4 3.618 9.398 0.079
20 HB2 ASP 4 2HB ASP 4 1.266 8.104 1.153
21 HB3 ASP 4 3HB ASP 4 1.294 9.809 1.597
22 HA PRO 5 HA PRO 5 5.096 11.962 3.314
23 HB2 PRO 5 2HB PRO 5 3.872 14.329 2.795
24 HB3 PRO 5 3HB PRO 5 5.174 13.680 1.790
25 HG2 PRO 5 2HG PRO 5 2.215 13.593 1.345
26 HG3 PRO 5 3HG PRO 5 3.512 13.935 0.184
27 HD2 PRO 5 2HD PRO 5 2.303 11.517 0.348
28 HD3 PRO 5 3HD PRO 5 4.008 11.703 -0.110
29 H ASN 6 H ASN 6 1.585 12.074 2.842
30 HA ASN 6 HA ASN 6 1.200 12.852 5.631
31 HB2 ASN 6 2HB ASN 6 -1.250 12.904 4.922
32 HB3 ASN 6 3HB ASN 6 -0.189 14.088 4.164
33 HD21 ASN 6 1HD2 ASN 6 -0.208 14.219 2.033
34 HD22 ASN 6 2HD2 ASN 6 -0.875 13.044 0.956
35 H ALA 7 H ALA 7 2.291 10.288 5.194
36 HA ALA 7 HA ALA 7 0.066 8.582 6.107
37 HB1 ALA 7 1HB ALA 7 0.567 7.606 4.083
38 HB2 ALA 7 2HB ALA 7 2.283 7.995 4.197
39 HB3 ALA 7 3HB ALA 7 1.607 6.693 5.177
40 H LEU 8 H LEU 8 0.955 6.606 7.337
41 HA LEU 8 HA LEU 8 3.254 7.365 9.001
42 HB2 LEU 8 2HB LEU 8 0.603 6.337 10.003
43 HB3 LEU 8 3HB LEU 8 2.043 6.564 10.993
44 HG LEU 8 HG LEU 8 0.459 8.736 9.621
45 HD11 LEU 8 1HD1 LEU 8 0.407 9.309 12.250
46 HD12 LEU 8 2HD1 LEU 8 0.419 7.547 12.315
47 HD13 LEU 8 3HD1 LEU 8 -0.848 8.387 11.421
48 HD21 LEU 8 3HD2 LEU 8 2.280 9.993 9.792
49 HD22 LEU 8 1HD2 LEU 8 3.167 8.677 10.562
50 HD23 LEU 8 2HD2 LEU 8 2.213 9.790 11.543
51 H TYR 9 H TYR 9 4.526 5.692 9.713
52 HA TYR 9 HA TYR 9 3.683 2.948 9.198
53 HB2 TYR 9 2HB TYR 9 6.357 3.867 8.171
54 HB3 TYR 9 3HB TYR 9 5.489 2.383 7.796
55 HD1 TYR 9 HD1 TYR 9 3.539 2.443 6.269
56 HD2 TYR 9 HD2 TYR 9 5.943 5.885 6.961
57 HE1 TYR 9 HE1 TYR 9 2.600 3.497 4.255
58 HE2 TYR 9 HE2 TYR 9 5.009 6.949 4.950
59 HH TYR 9 HH TYR 9 2.453 5.387 3.064
60 H CYS 10 H CYS 10 6.504 4.907 10.160
61 HA CYS 10 HA CYS 10 7.805 3.088 11.751
62 HB2 CYS 10 2HB CYS 10 8.608 5.388 11.167
63 HB3 CYS 10 3HB CYS 10 7.518 6.029 12.391
64 H ILE 11 H ILE 11 7.896 2.805 14.064
65 HA ILE 11 HA ILE 11 5.463 2.162 15.230
66 HB ILE 11 HB ILE 11 6.714 2.104 17.402
67 HG12 ILE 11 2HG1 ILE 11 8.991 3.052 15.649
68 HG13 ILE 11 3HG1 ILE 11 8.267 3.941 16.985
69 HG21 ILE 11 1HG2 ILE 11 8.528 0.688 15.593
70 HG22 ILE 11 2HG2 ILE 11 7.477 0.066 16.864
71 HG23 ILE 11 3HG2 ILE 11 6.816 0.415 15.267
72 HD11 ILE 11 3HD1 ILE 11 10.406 2.924 17.588
73 HD12 ILE 11 1HD1 ILE 11 9.075 2.287 18.555
74 HD13 ILE 11 2HD1 ILE 11 9.741 1.330 17.231
75 H CYS 12 H CYS 12 7.336 5.135 15.426
76 HA CYS 12 HA CYS 12 5.714 6.329 17.453
77 HB2 CYS 12 2HB CYS 12 6.946 8.382 16.944
78 HB3 CYS 12 3HB CYS 12 8.045 7.017 17.091
79 H ARG 13 H ARG 13 5.289 5.783 14.146
80 HA ARG 13 HA ARG 13 3.706 6.417 12.641
81 HB2 ARG 13 2HB ARG 13 2.434 6.953 15.269
82 HB3 ARG 13 3HB ARG 13 1.680 7.688 13.861
83 HG2 ARG 13 2HG ARG 13 0.556 5.683 14.050
84 HG3 ARG 13 3HG ARG 13 1.796 5.313 12.851
85 HD2 ARG 13 2HD ARG 13 1.852 3.497 14.323
86 HD3 ARG 13 3HD ARG 13 3.207 4.507 14.823
87 HE ARG 13 HE ARG 13 1.196 5.361 16.409
88 HH11 ARG 13 1HH1 ARG 13 2.480 2.208 15.683
89 HH12 ARG 13 2HH1 ARG 13 2.082 1.546 17.234
90 HH21 ARG 13 1HH2 ARG 13 0.668 4.501 18.455
91 HH22 ARG 13 2HH2 ARG 13 1.051 2.851 18.809
92 H GLN 14 H GLN 14 5.503 7.952 12.036
93 HA GLN 14 HA GLN 14 4.429 10.677 12.037
94 HB2 GLN 14 2HB GLN 14 7.067 9.796 13.079
95 HB3 GLN 14 3HB GLN 14 7.037 11.279 12.134
96 HG2 GLN 14 2HG GLN 14 4.907 11.506 13.918
97 HG3 GLN 14 3HG GLN 14 6.234 10.821 14.855
98 HE21 GLN 14 1HE2 GLN 14 4.862 13.624 13.708
99 HE22 GLN 14 2HE2 GLN 14 6.192 14.698 13.953
100 HA PRO 15 HA PRO 15 5.381 10.689 7.756
101 HB2 PRO 15 2HB PRO 15 6.051 13.287 7.341
102 HB3 PRO 15 3HB PRO 15 4.392 12.760 7.651
103 HG2 PRO 15 2HG PRO 15 6.385 13.952 9.540
104 HG3 PRO 15 3HG PRO 15 4.656 14.304 9.370
105 HD2 PRO 15 2HD PRO 15 5.632 12.697 11.319
106 HD3 PRO 15 3HD PRO 15 4.031 12.451 10.592
107 H HIS 16 H HIS 16 7.066 10.600 6.276
108 HA HIS 16 HA HIS 16 9.696 10.324 7.403
109 HB2 HIS 16 2HB HIS 16 10.327 9.373 5.349
110 HB3 HIS 16 3HB HIS 16 8.643 8.894 5.542
111 HD1 HIS 16 HD1 HIS 16 6.961 10.846 4.324
112 HD2 HIS 16 HD2 HIS 16 10.796 10.236 2.844
113 HE1 HIS 16 HE1 HIS 16 6.926 11.743 1.975
114 H ASN 17 H ASN 17 7.959 12.923 6.265
115 HA ASN 17 HA ASN 17 9.953 14.346 4.833
116 HB2 ASN 17 2HB ASN 17 8.434 16.080 4.730
117 HB3 ASN 17 3HB ASN 17 7.349 14.725 5.033
118 HD21 ASN 17 1HD2 ASN 17 7.658 14.289 7.686
119 HD22 ASN 17 2HD2 ASN 17 7.125 15.665 8.584
120 H ASN 18 H ASN 18 9.664 13.561 8.090
121 HA ASN 18 HA ASN 18 10.829 15.918 9.221
122 HB2 ASN 18 2HB ASN 18 10.141 13.185 10.208
123 HB3 ASN 18 3HB ASN 18 11.281 14.147 11.145
124 HD21 ASN 18 1HD2 ASN 18 8.261 13.265 11.197
125 HD22 ASN 18 2HD2 ASN 18 7.484 14.691 11.787
126 H ARG 19 H ARG 19 12.195 12.669 9.541
127 HA ARG 19 HA ARG 19 14.796 13.755 8.682
128 HB2 ARG 19 2HB ARG 19 15.906 12.441 10.359
129 HB3 ARG 19 3HB ARG 19 14.642 13.377 11.146
130 HG2 ARG 19 2HG ARG 19 13.304 11.092 10.607
131 HG3 ARG 19 3HG ARG 19 14.939 10.473 10.849
132 HD2 ARG 19 2HD ARG 19 13.579 12.341 12.778
133 HD3 ARG 19 3HD ARG 19 13.483 10.585 12.908
134 HE ARG 19 HE ARG 19 16.143 11.046 12.790
135 HH11 ARG 19 1HH1 ARG 19 13.581 12.338 14.761
136 HH12 ARG 19 2HH1 ARG 19 14.602 12.623 16.131
137 HH21 ARG 19 1HH2 ARG 19 17.498 11.416 14.587
138 HH22 ARG 19 2HH2 ARG 19 16.830 12.099 16.031
139 H PHE 20 H PHE 20 16.293 11.489 8.668
140 HA PHE 20 HA PHE 20 15.578 10.284 6.230
141 HB2 PHE 20 2HB PHE 20 17.888 10.359 6.800
142 HB3 PHE 20 3HB PHE 20 17.608 9.544 8.335
143 HD1 PHE 20 HD2 PHE 20 17.235 7.143 8.421
144 HD2 PHE 20 HD1 PHE 20 18.026 9.130 4.740
145 HE1 PHE 20 HE2 PHE 20 17.721 4.977 7.360
146 HE2 PHE 20 HE1 PHE 20 18.511 6.967 3.673
147 HZ PHE 20 HZ PHE 20 18.361 4.887 4.983
148 H MET 21 H MET 21 14.854 8.204 5.737
149 HA MET 21 HA MET 21 13.833 6.575 7.945
150 HB2 MET 21 2HB MET 21 12.220 7.751 5.705
151 HB3 MET 21 3HB MET 21 11.738 6.228 6.441
152 HG2 MET 21 2HG MET 21 12.054 7.672 8.657
153 HG3 MET 21 3HG MET 21 11.670 8.972 7.531
154 HE1 MET 21 3HE MET 21 9.967 5.974 9.666
155 HE2 MET 21 1HE MET 21 9.023 5.315 8.330
156 HE3 MET 21 2HE MET 21 10.783 5.362 8.227
157 H ILE 22 H ILE 22 13.629 4.372 7.482
158 HA ILE 22 HA ILE 22 14.992 3.530 5.012
159 HB ILE 22 HB ILE 22 16.090 2.949 7.195
160 HG12 ILE 22 2HG1 ILE 22 15.232 0.463 5.727
161 HG13 ILE 22 3HG1 ILE 22 16.279 1.660 4.973
162 HG21 ILE 22 1HG2 ILE 22 14.981 1.947 8.838
163 HG22 ILE 22 2HG2 ILE 22 13.508 2.156 7.892
164 HG23 ILE 22 3HG2 ILE 22 14.436 0.662 7.761
165 HD11 ILE 22 3HD1 ILE 22 16.873 0.186 7.528
166 HD12 ILE 22 1HD1 ILE 22 17.537 -0.195 5.940
167 HD13 ILE 22 2HD1 ILE 22 17.932 1.339 6.715
168 H CYS 23 H CYS 23 14.263 1.598 3.960
169 HA CYS 23 HA CYS 23 11.372 1.183 4.284
170 HB2 CYS 23 2HB CYS 23 11.944 1.970 2.082
171 HB3 CYS 23 3HB CYS 23 13.198 0.747 1.916
172 HG CYS 23 HG CYS 23 9.961 -0.216 2.325
173 H CYS 24 H CYS 24 10.636 -0.698 5.015
174 HA CYS 24 HA CYS 24 12.527 -2.930 5.255
175 HB2 CYS 24 2HB CYS 24 11.609 -2.247 7.375
176 HB3 CYS 24 3HB CYS 24 9.970 -2.307 6.739
177 H ASP 25 H ASP 25 12.335 -4.569 3.895
178 HA ASP 25 HA ASP 25 10.066 -4.804 2.150
179 HB2 ASP 25 2HB ASP 25 12.722 -6.096 2.411
180 HB3 ASP 25 3HB ASP 25 11.457 -7.057 1.650
181 H ARG 26 H ARG 26 11.075 -6.225 5.135
182 HA ARG 26 HA ARG 26 9.757 -8.663 5.107
183 HB2 ARG 26 2HB ARG 26 11.242 -7.397 6.933
184 HB3 ARG 26 3HB ARG 26 9.655 -7.070 7.616
185 HG2 ARG 26 2HG ARG 26 10.691 -9.815 6.942
186 HG3 ARG 26 3HG ARG 26 10.740 -9.083 8.548
187 HD2 ARG 26 2HD ARG 26 8.235 -8.808 8.355
188 HD3 ARG 26 3HD ARG 26 8.321 -9.834 6.924
189 HE ARG 26 HE ARG 26 9.549 -10.976 9.264
190 HH11 ARG 26 1HH1 ARG 26 6.593 -10.588 7.466
191 HH12 ARG 26 2HH1 ARG 26 5.853 -12.010 8.124
192 HH21 ARG 26 1HH2 ARG 26 8.586 -12.850 10.137
193 HH22 ARG 26 2HH2 ARG 26 6.987 -13.295 9.644
194 H CYS 27 H CYS 27 8.490 -5.714 6.668
195 HA CYS 27 HA CYS 27 5.782 -6.765 6.349
196 HB2 CYS 27 2HB CYS 27 5.147 -4.884 7.861
197 HB3 CYS 27 3HB CYS 27 6.318 -5.990 8.569
198 H GLU 28 H GLU 28 7.885 -4.785 4.701
199 HA GLU 28 HA GLU 28 7.640 -3.404 2.909
200 HB2 GLU 28 2HB GLU 28 4.681 -3.962 2.984
201 HB3 GLU 28 3HB GLU 28 5.666 -3.510 1.600
202 HG2 GLU 28 2HG GLU 28 6.895 -5.766 2.156
203 HG3 GLU 28 3HG GLU 28 5.358 -6.147 2.931
204 H GLU 29 H GLU 29 7.886 -2.104 5.200
205 HA GLU 29 HA GLU 29 6.084 0.183 4.868
206 HB2 GLU 29 2HB GLU 29 6.068 -1.577 7.108
207 HB3 GLU 29 3HB GLU 29 6.726 -0.035 7.637
208 HG2 GLU 29 2HG GLU 29 4.612 0.590 7.904
209 HG3 GLU 29 3HG GLU 29 4.563 0.731 6.148
210 H TRP 30 H TRP 30 7.054 1.848 6.779
211 HA TRP 30 HA TRP 30 9.915 2.082 6.110
212 HB2 TRP 30 2HB TRP 30 7.768 4.190 6.219
213 HB3 TRP 30 3HB TRP 30 9.473 4.606 6.369
214 HD1 TRP 30 HD1 TRP 30 6.905 3.357 3.829
215 HE1 TRP 30 HE1 TRP 30 7.905 3.580 1.468
216 HE3 TRP 30 HE3 TRP 30 11.691 4.639 5.090
217 HZ2 TRP 30 HZ2 TRP 30 10.392 4.214 0.294
218 HZ3 TRP 30 HZ3 TRP 30 13.319 5.037 3.288
219 HH2 TRP 30 HH2 TRP 30 12.681 4.828 0.941
220 H PHE 31 H PHE 31 11.284 3.008 7.690
221 HA PHE 31 HA PHE 31 10.182 3.472 10.346
222 HB2 PHE 31 2HB PHE 31 12.283 1.367 9.788
223 HB3 PHE 31 3HB PHE 31 11.819 1.923 11.392
224 HD1 PHE 31 HD1 PHE 31 10.723 0.057 8.425
225 HD2 PHE 31 HD2 PHE 31 9.797 1.188 12.422
226 HE1 PHE 31 HE1 PHE 31 8.932 -1.630 8.484
227 HE2 PHE 31 HE2 PHE 31 8.005 -0.497 12.488
228 HZ PHE 31 HZ PHE 31 7.572 -1.909 10.517
229 H HIS 32 H HIS 32 11.197 5.093 11.350
230 HA HIS 32 HA HIS 32 13.123 6.660 10.081
231 HB2 HIS 32 2HB HIS 32 12.184 6.506 12.936
232 HB3 HIS 32 3HB HIS 32 13.439 7.640 12.446
233 HD2 HIS 32 HD2 HIS 32 12.429 9.338 10.165
234 HE1 HIS 32 HE1 HIS 32 8.522 9.262 11.819
235 HE2 HIS 32 HE2 HIS 32 10.044 10.339 10.126
236 H GLY 33 H GLY 33 15.278 6.578 9.946
237 HA2 GLY 33 2HA GLY 33 16.767 4.344 10.605
238 HA3 GLY 33 3HA GLY 33 17.453 5.935 10.310
239 H ASP 34 H ASP 34 15.935 7.063 12.613
240 HA ASP 34 HA ASP 34 17.931 6.554 14.607
241 HB2 ASP 34 2HB ASP 34 16.324 8.690 14.026
242 HB3 ASP 34 3HB ASP 34 15.523 8.022 15.446
243 H CYS 35 H CYS 35 14.389 6.141 14.540
244 HA CYS 35 HA CYS 35 14.083 4.886 16.985
245 HB2 CYS 35 2HB CYS 35 12.524 4.386 14.441
246 HB3 CYS 35 3HB CYS 35 12.002 3.929 16.058
247 H VAL 36 H VAL 36 14.995 3.513 13.871
248 HA VAL 36 HA VAL 36 15.027 0.810 14.910
249 HB VAL 36 HB VAL 36 15.947 0.224 12.663
250 HG11 VAL 36 1HG1 VAL 36 13.435 1.888 12.554
251 HG12 VAL 36 2HG1 VAL 36 13.879 0.562 11.479
252 HG13 VAL 36 3HG1 VAL 36 13.520 0.240 13.176
253 HG21 VAL 36 3HG2 VAL 36 16.364 3.055 12.557
254 HG22 VAL 36 1HG2 VAL 36 16.898 1.807 11.431
255 HG23 VAL 36 2HG2 VAL 36 15.317 2.561 11.227
256 H GLY 37 H GLY 37 17.272 3.415 14.363
257 HA2 GLY 37 2HA GLY 37 19.317 3.482 15.636
258 HA3 GLY 37 3HA GLY 37 19.400 1.731 15.510
259 H ILE 38 H ILE 38 18.532 2.206 12.567
260 HA ILE 38 HA ILE 38 21.053 1.878 11.411
261 HB ILE 38 HB ILE 38 18.474 2.792 10.136
262 HG12 ILE 38 2HG1 ILE 38 18.428 0.549 11.189
263 HG13 ILE 38 3HG1 ILE 38 18.253 0.471 9.439
264 HG21 ILE 38 1HG2 ILE 38 19.838 1.658 8.118
265 HG22 ILE 38 2HG2 ILE 38 19.857 3.388 8.454
266 HG23 ILE 38 3HG2 ILE 38 21.173 2.364 9.028
267 HD11 ILE 38 3HD1 ILE 38 21.009 0.280 10.025
268 HD12 ILE 38 1HD1 ILE 38 20.151 -0.823 11.101
269 HD13 ILE 38 2HD1 ILE 38 19.939 -0.950 9.355
270 H SER 39 H SER 39 22.466 3.235 10.382
271 HA SER 39 HA SER 39 22.181 6.071 11.014
272 HB2 SER 39 2HB SER 39 24.593 4.704 9.813
273 HB3 SER 39 3HB SER 39 24.534 6.258 10.645
274 HG SER 39 HG SER 39 25.049 3.931 11.707
275 H GLU 40 H GLU 40 22.395 7.714 9.471
276 HA GLU 40 HA GLU 40 21.056 7.395 7.080
277 HB2 GLU 40 2HB GLU 40 21.434 9.576 8.120
278 HB3 GLU 40 3HB GLU 40 23.152 9.463 7.763
279 HG2 GLU 40 2HG GLU 40 21.894 9.091 5.313
280 HG3 GLU 40 3HG GLU 40 20.981 10.375 6.103
281 H ALA 41 H ALA 41 24.449 6.946 7.785
282 HA ALA 41 HA ALA 41 25.281 6.804 5.045
283 HB1 ALA 41 1HB ALA 41 27.088 5.458 6.822
284 HB2 ALA 41 2HB ALA 41 27.305 6.970 5.940
285 HB3 ALA 41 3HB ALA 41 26.556 6.980 7.537
286 H ARG 42 H ARG 42 24.276 4.504 7.502
287 HA ARG 42 HA ARG 42 25.043 2.182 6.017
288 HB2 ARG 42 2HB ARG 42 24.466 2.580 8.611
289 HB3 ARG 42 3HB ARG 42 22.904 1.985 8.064
290 HG2 ARG 42 2HG ARG 42 23.698 -0.064 8.343
291 HG3 ARG 42 3HG ARG 42 24.741 0.228 6.950
292 HD2 ARG 42 2HD ARG 42 26.569 0.776 8.278
293 HD3 ARG 42 3HD ARG 42 25.564 1.128 9.684
294 HE ARG 42 HE ARG 42 25.403 -1.612 8.903
295 HH11 ARG 42 1HH1 ARG 42 27.351 0.708 10.618
296 HH12 ARG 42 2HH1 ARG 42 28.084 -0.475 11.650
297 HH21 ARG 42 1HH2 ARG 42 26.360 -3.179 10.256
298 HH22 ARG 42 2HH2 ARG 42 27.521 -2.686 11.443
299 H GLY 43 H GLY 43 21.913 3.743 6.709
300 HA2 GLY 43 2HA GLY 43 20.256 2.031 5.296
301 HA3 GLY 43 3HA GLY 43 19.944 3.745 5.527
302 H ARG 44 H ARG 44 22.346 4.569 4.080
303 HA ARG 44 HA ARG 44 21.216 4.554 1.442
304 HB2 ARG 44 2HB ARG 44 22.479 6.474 2.592
305 HB3 ARG 44 3HB ARG 44 23.943 5.598 2.168
306 HG2 ARG 44 2HG ARG 44 23.839 6.894 0.333
307 HG3 ARG 44 3HG ARG 44 22.738 5.633 -0.226
308 HD2 ARG 44 2HD ARG 44 20.890 6.944 0.024
309 HD3 ARG 44 3HD ARG 44 21.584 7.855 1.364
310 HE ARG 44 HE ARG 44 23.075 8.610 -0.779
311 HH11 ARG 44 1HH1 ARG 44 19.662 8.546 -0.093
312 HH12 ARG 44 2HH1 ARG 44 19.302 9.909 -1.101
313 HH21 ARG 44 1HH2 ARG 44 22.613 10.405 -2.108
314 HH22 ARG 44 2HH2 ARG 44 20.981 10.965 -2.247
315 H LEU 45 H LEU 45 23.708 2.809 3.110
316 HA LEU 45 HA LEU 45 25.123 1.882 0.829
317 HB2 LEU 45 2HB LEU 45 25.771 1.893 3.352
318 HB3 LEU 45 3HB LEU 45 24.955 0.331 3.379
319 HG LEU 45 HG LEU 45 26.528 -0.433 1.592
320 HD11 LEU 45 1HD1 LEU 45 27.559 2.328 2.009
321 HD12 LEU 45 2HD1 LEU 45 27.389 1.397 0.521
322 HD13 LEU 45 3HD1 LEU 45 28.702 1.036 1.642
323 HD21 LEU 45 3HD2 LEU 45 28.582 -0.181 3.306
324 HD22 LEU 45 1HD2 LEU 45 27.248 -1.310 3.543
325 HD23 LEU 45 2HD2 LEU 45 27.243 0.246 4.373
326 H LEU 46 H LEU 46 22.585 0.430 2.850
327 HA LEU 46 HA LEU 46 22.401 -2.029 1.561
328 HB2 LEU 46 2HB LEU 46 20.205 -0.416 2.851
329 HB3 LEU 46 3HB LEU 46 20.106 -2.129 2.448
330 HG LEU 46 HG LEU 46 22.373 -1.454 4.171
331 HD11 LEU 46 1HD1 LEU 46 21.318 -0.666 6.017
332 HD12 LEU 46 2HD1 LEU 46 19.781 -1.424 5.603
333 HD13 LEU 46 3HD1 LEU 46 20.277 0.062 4.794
334 HD21 LEU 46 3HD2 LEU 46 20.942 -3.690 3.484
335 HD22 LEU 46 1HD2 LEU 46 20.341 -3.329 5.103
336 HD23 LEU 46 2HD2 LEU 46 22.068 -3.566 4.837
337 H GLU 47 H GLU 47 21.272 1.107 0.593
338 HA GLU 47 HA GLU 47 19.436 0.154 -1.395
339 HB2 GLU 47 2HB GLU 47 20.668 2.876 -0.940
340 HB3 GLU 47 3HB GLU 47 19.439 2.538 -2.151
341 HG2 GLU 47 2HG GLU 47 18.373 1.528 0.198
342 HG3 GLU 47 3HG GLU 47 19.161 3.029 0.682
343 H ARG 48 H ARG 48 22.811 1.076 -1.301
344 HA ARG 48 HA ARG 48 23.105 1.054 -4.171
345 HB2 ARG 48 2HB ARG 48 25.140 1.204 -1.941
346 HB3 ARG 48 3HB ARG 48 25.534 1.318 -3.652
347 HG2 ARG 48 2HG ARG 48 23.766 3.214 -2.119
348 HG3 ARG 48 3HG ARG 48 25.433 3.515 -2.614
349 HD2 ARG 48 2HD ARG 48 24.448 2.917 -4.995
350 HD3 ARG 48 3HD ARG 48 22.945 3.444 -4.239
351 HE ARG 48 HE ARG 48 24.660 5.448 -3.652
352 HH11 ARG 48 1HH1 ARG 48 23.787 3.845 -6.617
353 HH12 ARG 48 2HH1 ARG 48 24.061 5.242 -7.605
354 HH21 ARG 48 1HH2 ARG 48 25.024 7.293 -4.942
355 HH22 ARG 48 2HH2 ARG 48 24.765 7.202 -6.652
356 H ASN 49 H ASN 49 23.682 -1.131 -1.489
357 HA ASN 49 HA ASN 49 25.000 -3.082 -3.186
358 HB2 ASN 49 2HB ASN 49 24.395 -2.878 -0.259
359 HB3 ASN 49 3HB ASN 49 24.774 -4.451 -0.954
360 HD21 ASN 49 1HD2 ASN 49 26.178 -2.500 0.907
361 HD22 ASN 49 2HD2 ASN 49 27.773 -2.386 0.253
362 H GLY 50 H GLY 50 21.835 -2.368 -2.022
363 HA2 GLY 50 2HA GLY 50 19.822 -3.291 -2.709
364 HA3 GLY 50 3HA GLY 50 20.722 -4.499 -3.614
365 H GLU 51 H GLU 51 21.252 -3.894 -0.208
366 HA GLU 51 HA GLU 51 20.535 -6.652 0.365
367 HB2 GLU 51 2HB GLU 51 22.093 -4.525 1.729
368 HB3 GLU 51 3HB GLU 51 21.299 -5.708 2.758
369 HG2 GLU 51 2HG GLU 51 22.491 -7.501 1.768
370 HG3 GLU 51 3HG GLU 51 23.104 -6.465 0.481
371 H ASP 52 H ASP 52 18.474 -7.087 0.772
372 HA ASP 52 HA ASP 52 16.507 -5.238 1.482
373 HB2 ASP 52 2HB ASP 52 16.660 -8.236 1.668
374 HB3 ASP 52 3HB ASP 52 15.244 -7.362 2.247
375 H TYR 53 H TYR 53 16.476 -4.060 3.277
376 HA TYR 53 HA TYR 53 17.624 -5.070 5.742
377 HB2 TYR 53 2HB TYR 53 18.159 -2.811 5.340
378 HB3 TYR 53 3HB TYR 53 16.506 -2.409 4.887
379 HD1 TYR 53 HD1 TYR 53 14.806 -2.026 6.590
380 HD2 TYR 53 HD2 TYR 53 18.818 -2.947 7.669
381 HE1 TYR 53 HE1 TYR 53 14.354 -1.277 8.889
382 HE2 TYR 53 HE2 TYR 53 18.376 -2.202 9.971
383 HH TYR 53 HH TYR 53 16.917 -1.051 11.285
384 H ILE 54 H ILE 54 16.511 -5.354 7.678
385 HA ILE 54 HA ILE 54 13.574 -5.394 7.490
386 HB ILE 54 HB ILE 54 15.296 -7.523 8.765
387 HG12 ILE 54 2HG1 ILE 54 13.469 -7.614 6.355
388 HG13 ILE 54 3HG1 ILE 54 15.228 -7.673 6.318
389 HG21 ILE 54 1HG2 ILE 54 12.571 -8.285 8.546
390 HG22 ILE 54 2HG2 ILE 54 13.542 -8.078 10.002
391 HG23 ILE 54 3HG2 ILE 54 12.640 -6.714 9.344
392 HD11 ILE 54 3HD1 ILE 54 13.353 -9.740 7.432
393 HD12 ILE 54 1HD1 ILE 54 14.403 -9.881 6.022
394 HD13 ILE 54 2HD1 ILE 54 15.104 -9.782 7.638
395 H CYS 55 H CYS 55 12.839 -3.935 8.881
396 HA CYS 55 HA CYS 55 14.160 -2.675 10.911
397 HB2 CYS 55 2HB CYS 55 11.942 -2.138 11.865
398 HB3 CYS 55 3HB CYS 55 11.986 -1.925 10.119
399 HA PRO 56 HA PRO 56 14.677 -5.433 14.282
400 HB2 PRO 56 2HB PRO 56 14.338 -3.773 16.404
401 HB3 PRO 56 3HB PRO 56 15.768 -3.726 15.366
402 HG2 PRO 56 2HG PRO 56 13.341 -1.974 15.327
403 HG3 PRO 56 3HG PRO 56 15.049 -1.524 15.165
404 HD2 PRO 56 2HD PRO 56 13.392 -1.746 13.035
405 HD3 PRO 56 3HD PRO 56 15.125 -2.121 12.940
406 H ASN 57 H ASN 57 11.700 -3.982 13.638
407 HA ASN 57 HA ASN 57 10.284 -5.046 15.918
408 HB2 ASN 57 2HB ASN 57 9.776 -3.058 14.010
409 HB3 ASN 57 3HB ASN 57 8.583 -4.314 13.692
410 HD21 ASN 57 1HD2 ASN 57 7.931 -1.768 14.604
411 HD22 ASN 57 2HD2 ASN 57 7.274 -1.902 16.196
412 H CYS 58 H CYS 58 10.657 -5.832 12.492
413 HA CYS 58 HA CYS 58 8.853 -8.059 12.599
414 HB2 CYS 58 2HB CYS 58 10.831 -7.099 10.534
415 HB3 CYS 58 3HB CYS 58 9.884 -8.567 10.321
416 H THR 59 H THR 59 12.372 -7.660 12.570
417 HA THR 59 HA THR 59 13.182 -10.287 12.395
418 HB THR 59 HB THR 59 14.687 -8.272 12.471
419 HG1 THR 59 HG1 THR 59 15.339 -10.445 14.201
420 HG21 THR 59 3HG2 THR 59 14.663 -8.612 15.454
421 HG22 THR 59 1HG2 THR 59 13.600 -7.455 14.655
422 HG23 THR 59 2HG2 THR 59 15.349 -7.301 14.496
423 H ILE 60 H ILE 60 11.755 -8.618 15.103
424 HA ILE 60 HA ILE 60 11.982 -11.087 16.698
425 HB ILE 60 HB ILE 60 11.830 -9.730 18.717
426 HG12 ILE 60 2HG1 ILE 60 12.391 -7.133 17.911
427 HG13 ILE 60 3HG1 ILE 60 11.144 -7.656 16.784
428 HG21 ILE 60 1HG2 ILE 60 14.003 -8.275 17.417
429 HG22 ILE 60 2HG2 ILE 60 14.045 -9.416 18.760
430 HG23 ILE 60 3HG2 ILE 60 14.018 -10.010 17.100
431 HD11 ILE 60 3HD1 ILE 60 10.369 -8.457 19.390
432 HD12 ILE 60 1HD1 ILE 60 10.855 -6.763 19.448
433 HD13 ILE 60 2HD1 ILE 60 9.604 -7.284 18.319
434 H LEU 61 H LEU 61 9.909 -10.148 14.728
435 HA LEU 61 HA LEU 61 7.571 -9.319 15.986
436 HB2 LEU 61 2HB LEU 61 8.161 -9.720 13.471
437 HB3 LEU 61 3HB LEU 61 7.478 -11.317 13.769
438 HG LEU 61 HG LEU 61 5.850 -9.799 12.756
439 HD11 LEU 61 1HD1 LEU 61 5.081 -10.332 15.614
440 HD12 LEU 61 2HD1 LEU 61 5.202 -11.598 14.393
441 HD13 LEU 61 3HD1 LEU 61 4.036 -10.290 14.194
442 HD21 LEU 61 3HD2 LEU 61 6.956 -7.807 14.108
443 HD22 LEU 61 1HD2 LEU 61 5.664 -8.191 15.245
444 HD23 LEU 61 2HD2 LEU 61 5.273 -7.755 13.582
Start of MODEL 17
1 H1 GLY 1 H GLY 1 0.819 -1.559 -3.561
2 HA2 GLY 1 2HA GLY 1 0.713 0.403 -1.822
3 HA3 GLY 1 3HA GLY 1 1.854 -0.906 -1.553
4 H SER 2 H SER 2 1.453 2.415 -2.413
5 HA SER 2 HA SER 2 4.382 2.725 -2.528
6 HB2 SER 2 2HB SER 2 3.994 4.770 -3.850
7 HB3 SER 2 3HB SER 2 3.301 3.353 -4.638
8 HG SER 2 HG SER 2 1.540 4.496 -4.659
9 H MET 3 H MET 3 5.322 3.903 -0.987
10 HA MET 3 HA MET 3 3.899 4.832 1.250
11 HB2 MET 3 2HB MET 3 6.187 4.201 1.519
12 HB3 MET 3 3HB MET 3 6.714 5.354 0.301
13 HG2 MET 3 2HG MET 3 5.281 6.512 2.588
14 HG3 MET 3 3HG MET 3 6.838 5.776 2.960
15 HE1 MET 3 3HE MET 3 8.672 7.635 3.327
16 HE2 MET 3 1HE MET 3 9.048 6.456 2.070
17 HE3 MET 3 2HE MET 3 9.395 8.165 1.807
18 H ASP 4 H ASP 4 3.303 6.868 1.925
19 HA ASP 4 HA ASP 4 3.484 9.009 -0.092
20 HB2 ASP 4 2HB ASP 4 1.156 7.822 1.147
21 HB3 ASP 4 3HB ASP 4 1.241 9.544 1.507
22 HA PRO 5 HA PRO 5 5.163 11.680 2.954
23 HB2 PRO 5 2HB PRO 5 3.965 14.049 2.386
24 HB3 PRO 5 3HB PRO 5 5.205 13.327 1.354
25 HG2 PRO 5 2HG PRO 5 2.227 13.288 1.048
26 HG3 PRO 5 3HG PRO 5 3.475 13.549 -0.184
27 HD2 PRO 5 2HD PRO 5 2.226 11.169 0.142
28 HD3 PRO 5 3HD PRO 5 3.911 11.296 -0.401
29 H ASN 6 H ASN 6 1.642 11.746 2.660
30 HA ASN 6 HA ASN 6 1.415 12.648 5.440
31 HB2 ASN 6 2HB ASN 6 -0.647 12.420 3.238
32 HB3 ASN 6 3HB ASN 6 -1.013 12.919 4.888
33 HD21 ASN 6 1HD2 ASN 6 0.119 13.875 1.832
34 HD22 ASN 6 2HD2 ASN 6 0.483 15.519 2.218
35 H ALA 7 H ALA 7 2.371 10.053 5.059
36 HA ALA 7 HA ALA 7 0.090 8.444 6.008
37 HB1 ALA 7 1HB ALA 7 1.528 6.478 5.134
38 HB2 ALA 7 2HB ALA 7 0.599 7.439 3.984
39 HB3 ALA 7 3HB ALA 7 2.331 7.714 4.166
40 H LEU 8 H LEU 8 0.979 6.422 7.233
41 HA LEU 8 HA LEU 8 3.234 7.204 8.947
42 HB2 LEU 8 2HB LEU 8 0.584 6.125 9.895
43 HB3 LEU 8 3HB LEU 8 2.000 6.387 10.911
44 HG LEU 8 HG LEU 8 0.385 8.517 9.510
45 HD11 LEU 8 1HD1 LEU 8 -0.871 8.561 11.333
46 HD12 LEU 8 2HD1 LEU 8 0.558 8.832 12.328
47 HD13 LEU 8 3HD1 LEU 8 0.023 7.187 11.985
48 HD21 LEU 8 3HD2 LEU 8 1.975 9.794 11.307
49 HD22 LEU 8 1HD2 LEU 8 2.320 9.650 9.583
50 HD23 LEU 8 2HD2 LEU 8 3.055 8.525 10.725
51 H TYR 9 H TYR 9 4.526 5.551 9.658
52 HA TYR 9 HA TYR 9 3.728 2.795 9.135
53 HB2 TYR 9 2HB TYR 9 6.391 3.762 8.119
54 HB3 TYR 9 3HB TYR 9 5.557 2.257 7.748
55 HD1 TYR 9 HD2 TYR 9 3.565 2.294 6.249
56 HD2 TYR 9 HD1 TYR 9 5.984 5.740 6.863
57 HE1 TYR 9 HE2 TYR 9 2.612 3.317 4.225
58 HE2 TYR 9 HE1 TYR 9 5.037 6.773 4.842
59 HH TYR 9 HH TYR 9 2.674 5.045 2.831
60 H CYS 10 H CYS 10 6.518 4.794 10.108
61 HA CYS 10 HA CYS 10 7.833 2.993 11.710
62 HB2 CYS 10 2HB CYS 10 8.609 5.304 11.121
63 HB3 CYS 10 3HB CYS 10 7.512 5.931 12.345
64 H ILE 11 H ILE 11 7.916 2.715 14.023
65 HA ILE 11 HA ILE 11 5.481 2.054 15.179
66 HB ILE 11 HB ILE 11 6.727 2.007 17.356
67 HG12 ILE 11 2HG1 ILE 11 9.005 2.959 15.607
68 HG13 ILE 11 3HG1 ILE 11 8.272 3.851 16.936
69 HG21 ILE 11 1HG2 ILE 11 8.551 0.595 15.556
70 HG22 ILE 11 2HG2 ILE 11 7.497 -0.029 16.824
71 HG23 ILE 11 3HG2 ILE 11 6.842 0.314 15.223
72 HD11 ILE 11 3HD1 ILE 11 9.080 2.207 18.516
73 HD12 ILE 11 1HD1 ILE 11 9.754 1.246 17.201
74 HD13 ILE 11 2HD1 ILE 11 10.412 2.844 17.552
75 H CYS 12 H CYS 12 7.335 5.039 15.381
76 HA CYS 12 HA CYS 12 5.697 6.223 17.402
77 HB2 CYS 12 2HB CYS 12 6.918 8.283 16.899
78 HB3 CYS 12 3HB CYS 12 8.026 6.924 17.046
79 H ARG 13 H ARG 13 5.281 5.666 14.097
80 HA ARG 13 HA ARG 13 3.695 6.285 12.589
81 HB2 ARG 13 2HB ARG 13 2.273 7.401 15.014
82 HB3 ARG 13 3HB ARG 13 1.545 7.085 13.444
83 HG2 ARG 13 2HG ARG 13 2.737 5.003 15.265
84 HG3 ARG 13 3HG ARG 13 1.015 5.345 15.078
85 HD2 ARG 13 2HD ARG 13 1.390 4.879 12.587
86 HD3 ARG 13 3HD ARG 13 2.926 4.170 13.083
87 HE ARG 13 HE ARG 13 0.990 2.997 14.663
88 HH11 ARG 13 1HH1 ARG 13 1.717 3.224 11.266
89 HH12 ARG 13 2HH1 ARG 13 1.017 1.687 10.880
90 HH21 ARG 13 1HH2 ARG 13 0.066 0.972 14.168
91 HH22 ARG 13 2HH2 ARG 13 0.077 0.407 12.532
92 H GLN 14 H GLN 14 5.495 7.814 11.975
93 HA GLN 14 HA GLN 14 4.420 10.538 11.949
94 HB2 GLN 14 2HB GLN 14 7.064 9.669 12.993
95 HB3 GLN 14 3HB GLN 14 7.020 11.153 12.050
96 HG2 GLN 14 2HG GLN 14 4.945 11.565 13.733
97 HG3 GLN 14 3HG GLN 14 6.012 10.595 14.747
98 HE21 GLN 14 1HE2 GLN 14 5.619 13.590 13.036
99 HE22 GLN 14 2HE2 GLN 14 6.950 14.417 13.763
100 HA PRO 15 HA PRO 15 5.379 10.507 7.669
101 HB2 PRO 15 2HB PRO 15 6.036 13.104 7.228
102 HB3 PRO 15 3HB PRO 15 4.379 12.572 7.540
103 HG2 PRO 15 2HG PRO 15 6.362 13.794 9.421
104 HG3 PRO 15 3HG PRO 15 4.631 14.134 9.244
105 HD2 PRO 15 2HD PRO 15 5.611 12.554 11.212
106 HD3 PRO 15 3HD PRO 15 4.014 12.291 10.484
107 H HIS 16 H HIS 16 7.068 10.429 6.187
108 HA HIS 16 HA HIS 16 9.696 10.165 7.322
109 HB2 HIS 16 2HB HIS 16 10.339 9.221 5.265
110 HB3 HIS 16 3HB HIS 16 8.663 8.720 5.469
111 HD1 HIS 16 HD1 HIS 16 6.880 10.286 4.112
112 HD2 HIS 16 HD2 HIS 16 10.849 10.440 2.895
113 HE1 HIS 16 HE1 HIS 16 6.836 11.264 1.795
114 H ASN 17 H ASN 17 7.949 12.751 6.161
115 HA ASN 17 HA ASN 17 9.951 14.178 4.741
116 HB2 ASN 17 2HB ASN 17 8.421 15.899 4.604
117 HB3 ASN 17 3HB ASN 17 7.342 14.540 4.907
118 HD21 ASN 17 1HD2 ASN 17 7.626 14.130 7.568
119 HD22 ASN 17 2HD2 ASN 17 7.073 15.510 8.447
120 H ASN 18 H ASN 18 9.633 13.408 7.996
121 HA ASN 18 HA ASN 18 10.765 15.782 9.127
122 HB2 ASN 18 2HB ASN 18 9.409 14.420 10.555
123 HB3 ASN 18 3HB ASN 18 10.372 12.988 10.206
124 HD21 ASN 18 1HD2 ASN 18 11.356 16.284 11.030
125 HD22 ASN 18 2HD2 ASN 18 12.236 15.852 12.452
126 H ARG 19 H ARG 19 12.151 12.547 9.494
127 HA ARG 19 HA ARG 19 14.753 13.645 8.653
128 HB2 ARG 19 2HB ARG 19 14.269 11.611 10.837
129 HB3 ARG 19 3HB ARG 19 15.832 12.242 10.336
130 HG2 ARG 19 2HG ARG 19 15.547 14.207 11.427
131 HG3 ARG 19 3HG ARG 19 13.799 14.214 11.186
132 HD2 ARG 19 2HD ARG 19 14.136 13.885 13.500
133 HD3 ARG 19 3HD ARG 19 13.694 12.309 12.844
134 HE ARG 19 HE ARG 19 15.781 11.529 13.392
135 HH11 ARG 19 1HH1 ARG 19 15.754 15.004 13.595
136 HH12 ARG 19 2HH1 ARG 19 17.316 15.103 14.337
137 HH21 ARG 19 1HH2 ARG 19 17.839 11.646 14.368
138 HH22 ARG 19 2HH2 ARG 19 18.502 13.193 14.775
139 H PHE 20 H PHE 20 16.288 11.438 8.622
140 HA PHE 20 HA PHE 20 15.602 10.187 6.210
141 HB2 PHE 20 2HB PHE 20 17.906 10.293 6.811
142 HB3 PHE 20 3HB PHE 20 17.615 9.476 8.343
143 HD1 PHE 20 HD2 PHE 20 17.258 7.071 8.424
144 HD2 PHE 20 HD1 PHE 20 18.088 9.065 4.756
145 HE1 PHE 20 HE2 PHE 20 17.778 4.910 7.371
146 HE2 PHE 20 HE1 PHE 20 18.609 6.906 3.697
147 HZ PHE 20 HZ PHE 20 18.455 4.824 5.005
148 H MET 21 H MET 21 14.904 8.096 5.727
149 HA MET 21 HA MET 21 13.886 6.468 7.934
150 HB2 MET 21 2HB MET 21 12.263 7.618 5.686
151 HB3 MET 21 3HB MET 21 11.790 6.103 6.444
152 HG2 MET 21 2HG MET 21 12.096 7.568 8.640
153 HG3 MET 21 3HG MET 21 11.725 8.862 7.504
154 HE1 MET 21 3HE MET 21 10.820 5.262 8.204
155 HE2 MET 21 1HE MET 21 9.982 5.867 9.633
156 HE3 MET 21 2HE MET 21 9.058 5.218 8.278
157 H ILE 22 H ILE 22 13.684 4.261 7.467
158 HA ILE 22 HA ILE 22 15.063 3.428 5.002
159 HB ILE 22 HB ILE 22 16.159 2.848 7.182
160 HG12 ILE 22 2HG1 ILE 22 15.298 0.355 5.728
161 HG13 ILE 22 3HG1 ILE 22 16.342 1.548 4.964
162 HG21 ILE 22 1HG2 ILE 22 15.041 1.868 8.831
163 HG22 ILE 22 2HG2 ILE 22 13.571 2.048 7.874
164 HG23 ILE 22 3HG2 ILE 22 14.516 0.563 7.767
165 HD11 ILE 22 3HD1 ILE 22 17.608 -0.297 5.932
166 HD12 ILE 22 1HD1 ILE 22 18.000 1.240 6.703
167 HD13 ILE 22 2HD1 ILE 22 16.947 0.086 7.522
168 H CYS 23 H CYS 23 14.344 1.501 3.939
169 HA CYS 23 HA CYS 23 11.454 1.074 4.249
170 HB2 CYS 23 2HB CYS 23 12.030 1.860 2.050
171 HB3 CYS 23 3HB CYS 23 13.298 0.650 1.893
172 HG CYS 23 HG CYS 23 10.034 0.405 1.266
173 H CYS 24 H CYS 24 10.728 -0.802 4.999
174 HA CYS 24 HA CYS 24 12.622 -3.032 5.241
175 HB2 CYS 24 2HB CYS 24 11.696 -2.349 7.356
176 HB3 CYS 24 3HB CYS 24 10.059 -2.411 6.716
177 H ASP 25 H ASP 25 12.435 -4.679 3.889
178 HA ASP 25 HA ASP 25 10.176 -4.919 2.133
179 HB2 ASP 25 2HB ASP 25 12.828 -6.217 2.415
180 HB3 ASP 25 3HB ASP 25 11.566 -7.171 1.641
181 H ARG 26 H ARG 26 11.176 -6.338 5.124
182 HA ARG 26 HA ARG 26 9.859 -8.774 5.101
183 HB2 ARG 26 2HB ARG 26 11.329 -7.496 6.932
184 HB3 ARG 26 3HB ARG 26 9.736 -7.169 7.601
185 HG2 ARG 26 2HG ARG 26 10.717 -9.929 6.917
186 HG3 ARG 26 3HG ARG 26 10.881 -9.194 8.513
187 HD2 ARG 26 2HD ARG 26 8.306 -8.790 8.252
188 HD3 ARG 26 3HD ARG 26 8.427 -10.098 7.077
189 HE ARG 26 HE ARG 26 9.716 -10.965 9.369
190 HH11 ARG 26 1HH1 ARG 26 6.508 -9.989 8.432
191 HH12 ARG 26 2HH1 ARG 26 5.719 -11.003 9.595
192 HH21 ARG 26 1HH2 ARG 26 8.689 -12.304 10.904
193 HH22 ARG 26 2HH2 ARG 26 6.960 -12.318 11.001
194 H CYS 27 H CYS 27 8.575 -5.816 6.631
195 HA CYS 27 HA CYS 27 5.872 -6.875 6.299
196 HB2 CYS 27 2HB CYS 27 5.223 -4.986 7.799
197 HB3 CYS 27 3HB CYS 27 6.384 -6.094 8.520
198 H GLU 28 H GLU 28 7.985 -4.892 4.666
199 HA GLU 28 HA GLU 28 7.751 -3.518 2.866
200 HB2 GLU 28 2HB GLU 28 5.803 -5.277 2.486
201 HB3 GLU 28 3HB GLU 28 4.790 -3.876 2.803
202 HG2 GLU 28 2HG GLU 28 6.223 -2.705 1.016
203 HG3 GLU 28 3HG GLU 28 6.715 -4.336 0.563
204 H GLU 29 H GLU 29 7.969 -2.220 5.167
205 HA GLU 29 HA GLU 29 6.170 0.067 4.812
206 HB2 GLU 29 2HB GLU 29 6.141 -1.688 7.056
207 HB3 GLU 29 3HB GLU 29 6.788 -0.142 7.586
208 HG2 GLU 29 2HG GLU 29 4.667 0.469 7.836
209 HG3 GLU 29 3HG GLU 29 4.637 0.616 6.079
210 H TRP 30 H TRP 30 7.121 1.740 6.722
211 HA TRP 30 HA TRP 30 9.986 1.977 6.074
212 HB2 TRP 30 2HB TRP 30 7.834 4.081 6.174
213 HB3 TRP 30 3HB TRP 30 9.538 4.501 6.332
214 HD1 TRP 30 HD1 TRP 30 6.984 3.258 3.778
215 HE1 TRP 30 HE1 TRP 30 7.996 3.481 1.422
216 HE3 TRP 30 HE3 TRP 30 11.766 4.527 5.066
217 HZ2 TRP 30 HZ2 TRP 30 10.491 4.111 0.263
218 HZ3 TRP 30 HZ3 TRP 30 13.404 4.922 3.273
219 HH2 TRP 30 HH2 TRP 30 12.778 4.717 0.922
220 H PHE 31 H PHE 31 11.342 2.918 7.662
221 HA PHE 31 HA PHE 31 10.224 3.370 10.313
222 HB2 PHE 31 2HB PHE 31 12.336 1.276 9.761
223 HB3 PHE 31 3HB PHE 31 11.865 1.829 11.365
224 HD1 PHE 31 HD2 PHE 31 10.789 -0.046 8.397
225 HD2 PHE 31 HD1 PHE 31 9.840 1.091 12.387
226 HE1 PHE 31 HE2 PHE 31 9.005 -1.739 8.452
227 HE2 PHE 31 HE1 PHE 31 8.055 -0.601 12.449
228 HZ PHE 31 HZ PHE 31 7.635 -2.018 10.479
229 H HIS 32 H HIS 32 11.220 5.001 11.317
230 HA HIS 32 HA HIS 32 13.149 6.575 10.061
231 HB2 HIS 32 2HB HIS 32 12.181 6.422 12.905
232 HB3 HIS 32 3HB HIS 32 13.445 7.554 12.433
233 HD2 HIS 32 HD2 HIS 32 12.469 9.259 10.145
234 HE1 HIS 32 HE1 HIS 32 8.538 9.182 11.739
235 HE2 HIS 32 HE2 HIS 32 10.086 10.263 10.072
236 H GLY 33 H GLY 33 15.305 6.497 9.937
237 HA2 GLY 33 2HA GLY 33 16.799 4.273 10.615
238 HA3 GLY 33 3HA GLY 33 17.480 5.866 10.320
239 H ASP 34 H ASP 34 15.946 6.999 12.607
240 HA ASP 34 HA ASP 34 17.929 6.500 14.617
241 HB2 ASP 34 2HB ASP 34 16.811 8.730 14.164
242 HB3 ASP 34 3HB ASP 34 15.374 8.076 14.945
243 H CYS 35 H CYS 35 14.388 6.083 14.523
244 HA CYS 35 HA CYS 35 14.062 4.842 16.973
245 HB2 CYS 35 2HB CYS 35 12.530 4.329 14.414
246 HB3 CYS 35 3HB CYS 35 11.993 3.868 16.025
247 H VAL 36 H VAL 36 15.002 3.449 13.875
248 HA VAL 36 HA VAL 36 15.033 0.754 14.934
249 HB VAL 36 HB VAL 36 15.977 0.157 12.697
250 HG11 VAL 36 1HG1 VAL 36 13.452 1.800 12.570
251 HG12 VAL 36 2HG1 VAL 36 13.914 0.480 11.493
252 HG13 VAL 36 3HG1 VAL 36 13.549 0.151 13.187
253 HG21 VAL 36 3HG2 VAL 36 16.917 1.737 11.450
254 HG22 VAL 36 1HG2 VAL 36 15.335 2.489 11.252
255 HG23 VAL 36 2HG2 VAL 36 16.387 2.984 12.577
256 H GLY 37 H GLY 37 17.277 3.360 14.384
257 HA2 GLY 37 2HA GLY 37 19.310 3.441 15.674
258 HA3 GLY 37 3HA GLY 37 19.400 1.689 15.558
259 H ILE 38 H ILE 38 18.553 2.146 12.606
260 HA ILE 38 HA ILE 38 21.080 1.813 11.469
261 HB ILE 38 HB ILE 38 18.511 2.730 10.176
262 HG12 ILE 38 2HG1 ILE 38 18.456 0.487 11.225
263 HG13 ILE 38 3HG1 ILE 38 18.298 0.409 9.474
264 HG21 ILE 38 1HG2 ILE 38 19.896 3.323 8.497
265 HG22 ILE 38 2HG2 ILE 38 21.217 2.317 9.088
266 HG23 ILE 38 3HG2 ILE 38 19.899 1.590 8.170
267 HD11 ILE 38 3HD1 ILE 38 19.984 -1.009 9.401
268 HD12 ILE 38 1HD1 ILE 38 21.048 0.218 10.088
269 HD13 ILE 38 2HD1 ILE 38 20.177 -0.889 11.150
270 H SER 39 H SER 39 22.524 3.163 10.492
271 HA SER 39 HA SER 39 22.255 5.995 11.120
272 HB2 SER 39 2HB SER 39 24.688 5.026 9.738
273 HB3 SER 39 3HB SER 39 24.531 6.086 11.139
274 HG SER 39 HG SER 39 25.233 3.597 11.181
275 H GLU 40 H GLU 40 22.482 7.653 9.589
276 HA GLU 40 HA GLU 40 21.101 7.376 7.215
277 HB2 GLU 40 2HB GLU 40 21.426 9.555 8.147
278 HB3 GLU 40 3HB GLU 40 23.174 9.409 8.035
279 HG2 GLU 40 2HG GLU 40 23.175 9.701 5.726
280 HG3 GLU 40 3HG GLU 40 21.458 9.328 5.585
281 H ALA 41 H ALA 41 24.537 6.997 7.836
282 HA ALA 41 HA ALA 41 25.269 6.790 5.072
283 HB1 ALA 41 1HB ALA 41 26.719 7.430 7.152
284 HB2 ALA 41 2HB ALA 41 26.973 5.687 7.257
285 HB3 ALA 41 3HB ALA 41 27.437 6.560 5.796
286 H ARG 42 H ARG 42 24.313 4.565 7.593
287 HA ARG 42 HA ARG 42 25.153 2.198 6.224
288 HB2 ARG 42 2HB ARG 42 24.839 2.358 8.699
289 HB3 ARG 42 3HB ARG 42 23.104 2.460 8.429
290 HG2 ARG 42 2HG ARG 42 23.177 0.242 8.737
291 HG3 ARG 42 3HG ARG 42 23.687 0.214 7.048
292 HD2 ARG 42 2HD ARG 42 26.030 0.675 8.450
293 HD3 ARG 42 3HD ARG 42 25.158 -0.487 9.450
294 HE ARG 42 HE ARG 42 25.046 -1.388 6.818
295 HH11 ARG 42 1HH1 ARG 42 27.429 -0.826 9.293
296 HH12 ARG 42 2HH1 ARG 42 28.500 -2.064 8.725
297 HH21 ARG 42 1HH2 ARG 42 26.448 -3.021 6.061
298 HH22 ARG 42 2HH2 ARG 42 27.942 -3.311 6.886
299 H GLY 43 H GLY 43 21.981 3.728 6.776
300 HA2 GLY 43 2HA GLY 43 20.420 1.912 5.353
301 HA3 GLY 43 3HA GLY 43 20.023 3.608 5.586
302 H ARG 44 H ARG 44 22.207 4.733 4.186
303 HA ARG 44 HA ARG 44 21.188 4.644 1.543
304 HB2 ARG 44 2HB ARG 44 22.363 6.592 2.692
305 HB3 ARG 44 3HB ARG 44 23.871 5.755 2.351
306 HG2 ARG 44 2HG ARG 44 23.909 6.582 0.302
307 HG3 ARG 44 3HG ARG 44 22.320 5.896 -0.040
308 HD2 ARG 44 2HD ARG 44 21.988 8.169 -0.370
309 HD3 ARG 44 3HD ARG 44 21.414 7.920 1.278
310 HE ARG 44 HE ARG 44 24.162 8.643 1.240
311 HH11 ARG 44 1HH1 ARG 44 20.946 9.938 0.914
312 HH12 ARG 44 2HH1 ARG 44 21.390 11.525 1.449
313 HH21 ARG 44 1HH2 ARG 44 24.759 10.728 1.946
314 HH22 ARG 44 2HH2 ARG 44 23.559 11.973 2.035
315 H LEU 45 H LEU 45 23.701 2.919 3.190
316 HA LEU 45 HA LEU 45 25.119 2.061 0.868
317 HB2 LEU 45 2HB LEU 45 25.715 2.075 3.471
318 HB3 LEU 45 3HB LEU 45 25.154 0.410 3.328
319 HG LEU 45 HG LEU 45 26.892 0.554 1.246
320 HD11 LEU 45 1HD1 LEU 45 28.277 2.066 3.434
321 HD12 LEU 45 2HD1 LEU 45 27.467 2.895 2.105
322 HD13 LEU 45 3HD1 LEU 45 28.800 1.790 1.772
323 HD21 LEU 45 3HD2 LEU 45 27.255 -0.258 4.112
324 HD22 LEU 45 1HD2 LEU 45 28.528 -0.493 2.914
325 HD23 LEU 45 2HD2 LEU 45 26.962 -1.275 2.700
326 H LEU 46 H LEU 46 22.687 0.541 2.966
327 HA LEU 46 HA LEU 46 22.575 -1.912 1.583
328 HB2 LEU 46 2HB LEU 46 20.331 -0.623 3.120
329 HB3 LEU 46 3HB LEU 46 20.564 -2.341 2.803
330 HG LEU 46 HG LEU 46 22.208 -0.596 4.634
331 HD11 LEU 46 1HD1 LEU 46 19.923 -1.381 5.379
332 HD12 LEU 46 2HD1 LEU 46 21.279 -1.839 6.408
333 HD13 LEU 46 3HD1 LEU 46 20.567 -3.022 5.311
334 HD21 LEU 46 3HD2 LEU 46 22.897 -3.026 3.264
335 HD22 LEU 46 1HD2 LEU 46 22.838 -3.299 5.005
336 HD23 LEU 46 2HD2 LEU 46 23.875 -2.034 4.346
337 H GLU 47 H GLU 47 21.121 1.189 0.995
338 HA GLU 47 HA GLU 47 19.092 0.266 -0.790
339 HB2 GLU 47 2HB GLU 47 19.855 2.737 0.385
340 HB3 GLU 47 3HB GLU 47 19.830 2.970 -1.358
341 HG2 GLU 47 2HG GLU 47 17.518 1.517 -0.313
342 HG3 GLU 47 3HG GLU 47 17.674 3.167 0.287
343 H ARG 48 H ARG 48 22.416 1.332 -1.135
344 HA ARG 48 HA ARG 48 22.300 1.384 -4.018
345 HB2 ARG 48 2HB ARG 48 24.643 1.568 -2.116
346 HB3 ARG 48 3HB ARG 48 24.743 1.792 -3.857
347 HG2 ARG 48 2HG ARG 48 22.958 3.474 -2.129
348 HG3 ARG 48 3HG ARG 48 24.650 3.881 -2.426
349 HD2 ARG 48 2HD ARG 48 23.567 3.307 -4.938
350 HD3 ARG 48 3HD ARG 48 22.342 4.268 -4.110
351 HE ARG 48 HE ARG 48 24.904 5.162 -5.048
352 HH11 ARG 48 1HH1 ARG 48 22.351 5.725 -2.749
353 HH12 ARG 48 2HH1 ARG 48 22.727 7.404 -2.545
354 HH21 ARG 48 1HH2 ARG 48 25.409 7.372 -4.788
355 HH22 ARG 48 2HH2 ARG 48 24.466 8.340 -3.706
356 H ASN 49 H ASN 49 23.298 -0.838 -1.506
357 HA ASN 49 HA ASN 49 24.550 -2.665 -3.365
358 HB2 ASN 49 2HB ASN 49 24.248 -2.460 -0.433
359 HB3 ASN 49 3HB ASN 49 24.301 -4.100 -1.071
360 HD21 ASN 49 1HD2 ASN 49 26.227 -2.703 0.591
361 HD22 ASN 49 2HD2 ASN 49 27.718 -2.715 -0.281
362 H GLY 50 H GLY 50 21.423 -2.140 -2.013
363 HA2 GLY 50 2HA GLY 50 19.424 -3.104 -2.723
364 HA3 GLY 50 3HA GLY 50 20.349 -4.301 -3.618
365 H GLU 51 H GLU 51 21.097 -3.736 -0.285
366 HA GLU 51 HA GLU 51 20.468 -6.464 0.363
367 HB2 GLU 51 2HB GLU 51 21.411 -4.207 2.140
368 HB3 GLU 51 3HB GLU 51 21.344 -5.904 2.593
369 HG2 GLU 51 2HG GLU 51 22.897 -5.181 0.174
370 HG3 GLU 51 3HG GLU 51 23.568 -4.757 1.748
371 H ASP 52 H ASP 52 18.530 -7.156 0.944
372 HA ASP 52 HA ASP 52 16.366 -5.426 1.525
373 HB2 ASP 52 2HB ASP 52 16.577 -8.396 2.061
374 HB3 ASP 52 3HB ASP 52 15.091 -7.456 1.952
375 H TYR 53 H TYR 53 16.755 -4.136 3.284
376 HA TYR 53 HA TYR 53 17.727 -5.166 5.769
377 HB2 TYR 53 2HB TYR 53 18.248 -2.904 5.365
378 HB3 TYR 53 3HB TYR 53 16.594 -2.515 4.904
379 HD1 TYR 53 HD1 TYR 53 14.886 -2.136 6.598
380 HD2 TYR 53 HD2 TYR 53 18.897 -3.033 7.697
381 HE1 TYR 53 HE1 TYR 53 14.419 -1.384 8.893
382 HE2 TYR 53 HE2 TYR 53 18.441 -2.285 9.995
383 HH TYR 53 HH TYR 53 15.443 -0.713 10.855
384 H ILE 54 H ILE 54 16.610 -5.448 7.705
385 HA ILE 54 HA ILE 54 13.674 -5.515 7.505
386 HB ILE 54 HB ILE 54 15.425 -7.625 8.770
387 HG12 ILE 54 2HG1 ILE 54 13.544 -7.718 6.402
388 HG13 ILE 54 3HG1 ILE 54 15.300 -7.806 6.336
389 HG21 ILE 54 1HG2 ILE 54 13.446 -7.230 10.120
390 HG22 ILE 54 2HG2 ILE 54 12.420 -7.392 8.696
391 HG23 ILE 54 3HG2 ILE 54 13.324 -8.783 9.293
392 HD11 ILE 54 3HD1 ILE 54 13.468 -9.829 7.600
393 HD12 ILE 54 1HD1 ILE 54 14.314 -9.997 6.062
394 HD13 ILE 54 2HD1 ILE 54 15.229 -9.917 7.568
395 H CYS 55 H CYS 55 12.926 -4.047 8.882
396 HA CYS 55 HA CYS 55 14.230 -2.772 10.914
397 HB2 CYS 55 2HB CYS 55 11.999 -2.243 11.852
398 HB3 CYS 55 3HB CYS 55 12.066 -2.022 10.108
399 HA PRO 56 HA PRO 56 14.722 -5.508 14.308
400 HB2 PRO 56 2HB PRO 56 14.349 -3.840 16.417
401 HB3 PRO 56 3HB PRO 56 15.791 -3.789 15.395
402 HG2 PRO 56 2HG PRO 56 13.354 -2.051 15.320
403 HG3 PRO 56 3HG PRO 56 15.061 -1.592 15.175
404 HD2 PRO 56 2HD PRO 56 13.430 -1.835 13.027
405 HD3 PRO 56 3HD PRO 56 15.166 -2.200 12.954
406 H ASN 57 H ASN 57 11.744 -4.069 13.630
407 HA ASN 57 HA ASN 57 10.311 -5.140 15.896
408 HB2 ASN 57 2HB ASN 57 9.813 -3.151 13.986
409 HB3 ASN 57 3HB ASN 57 8.626 -4.410 13.656
410 HD21 ASN 57 1HD2 ASN 57 7.963 -1.865 14.567
411 HD22 ASN 57 2HD2 ASN 57 7.292 -2.003 16.153
412 H CYS 58 H CYS 58 10.708 -5.915 12.469
413 HA CYS 58 HA CYS 58 8.917 -8.155 12.565
414 HB2 CYS 58 2HB CYS 58 10.888 -7.170 10.505
415 HB3 CYS 58 3HB CYS 58 9.953 -8.644 10.285
416 H THR 59 H THR 59 12.432 -7.726 12.547
417 HA THR 59 HA THR 59 13.269 -10.341 12.353
418 HB THR 59 HB THR 59 14.750 -8.307 12.465
419 HG1 THR 59 HG1 THR 59 15.514 -10.532 12.663
420 HG21 THR 59 3HG2 THR 59 13.655 -7.520 14.644
421 HG22 THR 59 1HG2 THR 59 15.408 -7.379 14.520
422 HG23 THR 59 2HG2 THR 59 14.692 -8.700 15.444
423 H ILE 60 H ILE 60 11.815 -8.713 15.074
424 HA ILE 60 HA ILE 60 12.223 -11.100 16.742
425 HB ILE 60 HB ILE 60 11.625 -9.717 18.657
426 HG12 ILE 60 2HG1 ILE 60 11.675 -7.108 17.908
427 HG13 ILE 60 3HG1 ILE 60 10.860 -7.822 16.521
428 HG21 ILE 60 1HG2 ILE 60 13.567 -7.889 17.496
429 HG22 ILE 60 2HG2 ILE 60 13.730 -9.003 18.853
430 HG23 ILE 60 3HG2 ILE 60 13.959 -9.584 17.203
431 HD11 ILE 60 3HD1 ILE 60 9.041 -7.422 17.782
432 HD12 ILE 60 1HD1 ILE 60 9.470 -8.981 18.485
433 HD13 ILE 60 2HD1 ILE 60 9.940 -7.488 19.298
434 H LEU 61 H LEU 61 9.846 -9.226 15.087
435 HA LEU 61 HA LEU 61 7.780 -11.100 15.983
436 HB2 LEU 61 2HB LEU 61 7.642 -8.948 17.266
437 HB3 LEU 61 3HB LEU 61 7.306 -8.136 15.738
438 HG LEU 61 HG LEU 61 5.350 -9.923 15.641
439 HD11 LEU 61 1HD1 LEU 61 4.761 -9.592 18.372
440 HD12 LEU 61 2HD1 LEU 61 6.396 -10.244 18.281
441 HD13 LEU 61 3HD1 LEU 61 5.064 -11.094 17.499
442 HD21 LEU 61 3HD2 LEU 61 5.416 -7.304 15.857
443 HD22 LEU 61 1HD2 LEU 61 4.892 -7.646 17.506
444 HD23 LEU 61 2HD2 LEU 61 3.923 -8.201 16.140
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -0.171 -0.426 -0.906
2 HA2 GLY 1 2HA GLY 1 1.097 -0.714 -2.900
3 HA3 GLY 1 3HA GLY 1 0.121 0.715 -3.203
4 H SER 2 H SER 2 1.360 2.637 -1.730
5 HA SER 2 HA SER 2 4.198 2.617 -2.316
6 HB2 SER 2 2HB SER 2 3.387 5.062 -3.424
7 HB3 SER 2 3HB SER 2 4.030 3.668 -4.291
8 HG SER 2 HG SER 2 1.954 4.404 -5.050
9 H MET 3 H MET 3 5.333 4.412 -1.373
10 HA MET 3 HA MET 3 4.263 5.190 1.140
11 HB2 MET 3 2HB MET 3 6.701 4.821 0.613
12 HB3 MET 3 3HB MET 3 6.681 6.358 -0.241
13 HG2 MET 3 2HG MET 3 5.571 6.723 2.359
14 HG3 MET 3 3HG MET 3 7.115 5.886 2.498
15 HE1 MET 3 3HE MET 3 9.224 6.597 1.830
16 HE2 MET 3 1HE MET 3 9.750 8.263 1.591
17 HE3 MET 3 2HE MET 3 9.154 7.746 3.167
18 H ASP 4 H ASP 4 3.671 7.234 1.890
19 HA ASP 4 HA ASP 4 3.164 9.268 -0.176
20 HB2 ASP 4 2HB ASP 4 1.245 7.887 1.550
21 HB3 ASP 4 3HB ASP 4 1.122 9.642 1.640
22 HA PRO 5 HA PRO 5 4.922 12.232 2.535
23 HB2 PRO 5 2HB PRO 5 3.347 14.406 2.133
24 HB3 PRO 5 3HB PRO 5 4.498 13.817 0.928
25 HG2 PRO 5 2HG PRO 5 1.540 13.384 1.093
26 HG3 PRO 5 3HG PRO 5 2.538 13.763 -0.323
27 HD2 PRO 5 2HD PRO 5 1.681 11.254 0.225
28 HD3 PRO 5 3HD PRO 5 3.231 11.580 -0.577
29 H ASN 6 H ASN 6 1.364 12.194 2.736
30 HA ASN 6 HA ASN 6 1.546 12.876 5.581
31 HB2 ASN 6 2HB ASN 6 -0.960 13.167 5.368
32 HB3 ASN 6 3HB ASN 6 0.013 14.288 4.420
33 HD21 ASN 6 1HD2 ASN 6 -0.844 14.656 2.520
34 HD22 ASN 6 2HD2 ASN 6 -1.660 13.504 1.523
35 H ALA 7 H ALA 7 2.425 10.354 5.063
36 HA ALA 7 HA ALA 7 0.199 8.655 5.987
37 HB1 ALA 7 1HB ALA 7 1.509 6.746 5.012
38 HB2 ALA 7 2HB ALA 7 0.847 7.883 3.836
39 HB3 ALA 7 3HB ALA 7 2.558 7.946 4.257
40 H LEU 8 H LEU 8 1.080 6.657 7.194
41 HA LEU 8 HA LEU 8 3.359 7.391 8.896
42 HB2 LEU 8 2HB LEU 8 0.699 6.356 9.863
43 HB3 LEU 8 3HB LEU 8 2.129 6.582 10.867
44 HG LEU 8 HG LEU 8 0.546 8.755 9.496
45 HD11 LEU 8 1HD1 LEU 8 0.497 7.552 12.183
46 HD12 LEU 8 2HD1 LEU 8 -0.767 8.397 11.289
47 HD13 LEU 8 3HD1 LEU 8 0.482 9.314 12.130
48 HD21 LEU 8 3HD2 LEU 8 2.357 10.024 9.685
49 HD22 LEU 8 1HD2 LEU 8 3.251 8.704 10.441
50 HD23 LEU 8 2HD2 LEU 8 2.291 9.801 11.434
51 H TYR 9 H TYR 9 4.619 5.705 9.599
52 HA TYR 9 HA TYR 9 3.768 2.971 9.047
53 HB2 TYR 9 2HB TYR 9 6.455 3.889 8.052
54 HB3 TYR 9 3HB TYR 9 5.584 2.413 7.653
55 HD1 TYR 9 HD1 TYR 9 3.518 2.577 6.213
56 HD2 TYR 9 HD2 TYR 9 6.189 5.844 6.759
57 HE1 TYR 9 HE1 TYR 9 2.599 3.657 4.203
58 HE2 TYR 9 HE2 TYR 9 5.276 6.933 4.752
59 HH TYR 9 HH TYR 9 2.468 5.673 3.092
60 H CYS 10 H CYS 10 6.593 4.905 10.050
61 HA CYS 10 HA CYS 10 7.868 3.061 11.635
62 HB2 CYS 10 2HB CYS 10 8.693 5.360 11.074
63 HB3 CYS 10 3HB CYS 10 7.602 5.999 12.298
64 H ILE 11 H ILE 11 7.941 2.764 13.949
65 HA ILE 11 HA ILE 11 5.493 2.131 15.091
66 HB ILE 11 HB ILE 11 6.728 2.050 17.273
67 HG12 ILE 11 2HG1 ILE 11 9.028 2.986 15.543
68 HG13 ILE 11 3HG1 ILE 11 8.298 3.878 16.874
69 HG21 ILE 11 1HG2 ILE 11 8.543 0.631 15.467
70 HG22 ILE 11 2HG2 ILE 11 7.480 0.010 16.728
71 HG23 ILE 11 3HG2 ILE 11 6.832 0.372 15.129
72 HD11 ILE 11 3HD1 ILE 11 9.076 2.216 18.448
73 HD12 ILE 11 1HD1 ILE 11 9.744 1.252 17.131
74 HD13 ILE 11 2HD1 ILE 11 10.423 2.839 17.495
75 H CYS 12 H CYS 12 7.382 5.091 15.313
76 HA CYS 12 HA CYS 12 5.751 6.282 17.337
77 HB2 CYS 12 2HB CYS 12 7.005 8.330 16.852
78 HB3 CYS 12 3HB CYS 12 8.090 6.954 17.009
79 H ARG 13 H ARG 13 5.352 5.757 14.025
80 HA ARG 13 HA ARG 13 3.789 6.413 12.509
81 HB2 ARG 13 2HB ARG 13 2.502 6.956 15.127
82 HB3 ARG 13 3HB ARG 13 1.769 7.708 13.717
83 HG2 ARG 13 2HG ARG 13 0.613 5.729 13.848
84 HG3 ARG 13 3HG ARG 13 1.895 5.315 12.708
85 HD2 ARG 13 2HD ARG 13 3.122 4.156 14.360
86 HD3 ARG 13 3HD ARG 13 2.146 4.832 15.664
87 HE ARG 13 HE ARG 13 0.580 3.285 13.853
88 HH11 ARG 13 1HH1 ARG 13 2.783 3.070 16.540
89 HH12 ARG 13 2HH1 ARG 13 2.169 1.546 17.090
90 HH21 ARG 13 1HH2 ARG 13 -0.237 1.279 14.567
91 HH22 ARG 13 2HH2 ARG 13 0.451 0.528 15.966
92 H GLN 14 H GLN 14 5.608 7.926 11.921
93 HA GLN 14 HA GLN 14 4.568 10.664 11.918
94 HB2 GLN 14 2HB GLN 14 7.177 9.749 12.996
95 HB3 GLN 14 3HB GLN 14 7.190 11.225 12.039
96 HG2 GLN 14 2HG GLN 14 5.031 11.453 13.821
97 HG3 GLN 14 3HG GLN 14 6.394 10.834 14.753
98 HE21 GLN 14 1HE2 GLN 14 4.883 13.560 13.988
99 HE22 GLN 14 2HE2 GLN 14 6.198 14.681 14.014
100 HA PRO 15 HA PRO 15 5.559 10.665 7.645
101 HB2 PRO 15 2HB PRO 15 6.246 13.260 7.237
102 HB3 PRO 15 3HB PRO 15 4.581 12.742 7.530
103 HG2 PRO 15 2HG PRO 15 6.562 13.924 9.439
104 HG3 PRO 15 3HG PRO 15 4.836 14.284 9.252
105 HD2 PRO 15 2HD PRO 15 5.784 12.673 11.211
106 HD3 PRO 15 3HD PRO 15 4.190 12.435 10.468
107 H HIS 16 H HIS 16 7.259 10.579 6.178
108 HA HIS 16 HA HIS 16 9.875 10.282 7.332
109 HB2 HIS 16 2HB HIS 16 10.522 9.337 5.279
110 HB3 HIS 16 3HB HIS 16 8.835 8.864 5.456
111 HD1 HIS 16 HD1 HIS 16 11.053 10.096 3.001
112 HD2 HIS 16 HD2 HIS 16 7.113 10.937 4.016
113 HE1 HIS 16 HE1 HIS 16 10.053 11.186 0.967
114 H ASN 17 H ASN 17 8.162 12.893 6.178
115 HA ASN 17 HA ASN 17 10.181 14.310 4.776
116 HB2 ASN 17 2HB ASN 17 8.672 16.051 4.656
117 HB3 ASN 17 3HB ASN 17 7.577 14.701 4.943
118 HD21 ASN 17 1HD2 ASN 17 7.849 14.259 7.599
119 HD22 ASN 17 2HD2 ASN 17 7.312 15.637 8.492
120 H ASN 18 H ASN 18 9.847 13.520 8.027
121 HA ASN 18 HA ASN 18 11.009 15.869 9.177
122 HB2 ASN 18 2HB ASN 18 10.205 13.176 10.134
123 HB3 ASN 18 3HB ASN 18 11.447 14.006 11.068
124 HD21 ASN 18 1HD2 ASN 18 10.777 15.328 12.592
125 HD22 ASN 18 2HD2 ASN 18 9.205 16.038 12.703
126 H ARG 19 H ARG 19 12.353 12.612 9.512
127 HA ARG 19 HA ARG 19 14.971 13.686 8.688
128 HB2 ARG 19 2HB ARG 19 14.539 11.567 10.796
129 HB3 ARG 19 3HB ARG 19 16.050 12.363 10.377
130 HG2 ARG 19 2HG ARG 19 15.652 13.790 12.022
131 HG3 ARG 19 3HG ARG 19 14.325 14.435 11.054
132 HD2 ARG 19 2HD ARG 19 13.314 13.913 13.085
133 HD3 ARG 19 3HD ARG 19 12.934 12.525 12.066
134 HE ARG 19 HE ARG 19 15.215 11.776 13.313
135 HH11 ARG 19 1HH1 ARG 19 12.163 13.014 14.439
136 HH12 ARG 19 2HH1 ARG 19 12.234 12.176 15.954
137 HH21 ARG 19 1HH2 ARG 19 15.320 10.667 15.304
138 HH22 ARG 19 2HH2 ARG 19 14.031 10.842 16.445
139 H PHE 20 H PHE 20 16.456 11.412 8.690
140 HA PHE 20 HA PHE 20 15.771 10.214 6.242
141 HB2 PHE 20 2HB PHE 20 18.073 10.276 6.859
142 HB3 PHE 20 3HB PHE 20 17.758 9.446 8.379
143 HD1 PHE 20 HD1 PHE 20 17.357 7.047 8.427
144 HD2 PHE 20 HD2 PHE 20 18.251 9.070 4.791
145 HE1 PHE 20 HE1 PHE 20 17.848 4.889 7.351
146 HE2 PHE 20 HE2 PHE 20 18.743 6.916 3.709
147 HZ PHE 20 HZ PHE 20 18.540 4.822 4.989
148 H MET 21 H MET 21 15.040 8.139 5.735
149 HA MET 21 HA MET 21 13.980 6.509 7.922
150 HB2 MET 21 2HB MET 21 12.394 7.715 5.678
151 HB3 MET 21 3HB MET 21 11.893 6.192 6.402
152 HG2 MET 21 2HG MET 21 12.201 7.615 8.628
153 HG3 MET 21 3HG MET 21 11.849 8.931 7.511
154 HE1 MET 21 3HE MET 21 9.139 5.309 8.253
155 HE2 MET 21 1HE MET 21 10.901 5.331 8.177
156 HE3 MET 21 2HE MET 21 10.073 5.949 9.606
157 H ILE 22 H ILE 22 13.750 4.310 7.438
158 HA ILE 22 HA ILE 22 15.127 3.475 4.973
159 HB ILE 22 HB ILE 22 16.205 2.866 7.157
160 HG12 ILE 22 2HG1 ILE 22 15.327 0.396 5.675
161 HG13 ILE 22 3HG1 ILE 22 16.387 1.586 4.927
162 HG21 ILE 22 1HG2 ILE 22 15.071 1.874 8.789
163 HG22 ILE 22 2HG2 ILE 22 13.608 2.095 7.832
164 HG23 ILE 22 3HG2 ILE 22 14.525 0.595 7.704
165 HD11 ILE 22 3HD1 ILE 22 16.960 0.089 7.474
166 HD12 ILE 22 1HD1 ILE 22 17.632 -0.278 5.885
167 HD13 ILE 22 2HD1 ILE 22 18.029 1.245 6.681
168 H CYS 23 H CYS 23 14.386 1.564 3.895
169 HA CYS 23 HA CYS 23 11.490 1.172 4.196
170 HB2 CYS 23 2HB CYS 23 12.080 1.972 2.006
171 HB3 CYS 23 3HB CYS 23 13.330 0.745 1.838
172 HG CYS 23 HG CYS 23 9.969 0.423 1.527
173 H CYS 24 H CYS 24 10.732 -0.707 4.909
174 HA CYS 24 HA CYS 24 12.600 -2.961 5.139
175 HB2 CYS 24 2HB CYS 24 11.678 -2.286 7.260
176 HB3 CYS 24 3HB CYS 24 10.041 -2.325 6.615
177 H ASP 25 H ASP 25 12.396 -4.593 3.772
178 HA ASP 25 HA ASP 25 10.138 -4.786 2.008
179 HB2 ASP 25 2HB ASP 25 12.774 -6.119 2.283
180 HB3 ASP 25 3HB ASP 25 11.502 -7.051 1.498
181 H ARG 26 H ARG 26 11.110 -6.244 4.988
182 HA ARG 26 HA ARG 26 9.762 -8.664 4.937
183 HB2 ARG 26 2HB ARG 26 11.246 -7.424 6.783
184 HB3 ARG 26 3HB ARG 26 9.656 -7.085 7.453
185 HG2 ARG 26 2HG ARG 26 10.589 -9.851 6.735
186 HG3 ARG 26 3HG ARG 26 10.787 -9.137 8.337
187 HD2 ARG 26 2HD ARG 26 8.207 -8.676 8.078
188 HD3 ARG 26 3HD ARG 26 8.310 -10.013 6.932
189 HE ARG 26 HE ARG 26 9.592 -10.884 9.203
190 HH11 ARG 26 1HH1 ARG 26 6.408 -9.736 8.389
191 HH12 ARG 26 2HH1 ARG 26 5.615 -10.677 9.609
192 HH21 ARG 26 1HH2 ARG 26 8.560 -12.127 10.813
193 HH22 ARG 26 2HH2 ARG 26 6.840 -12.036 10.988
194 H CYS 27 H CYS 27 8.516 -5.706 6.497
195 HA CYS 27 HA CYS 27 5.799 -6.725 6.149
196 HB2 CYS 27 2HB CYS 27 5.172 -4.845 7.668
197 HB3 CYS 27 3HB CYS 27 6.320 -5.973 8.379
198 H GLU 28 H GLU 28 7.941 -4.759 4.536
199 HA GLU 28 HA GLU 28 7.729 -3.361 2.752
200 HB2 GLU 28 2HB GLU 28 4.763 -3.888 2.794
201 HB3 GLU 28 3HB GLU 28 5.765 -3.435 1.423
202 HG2 GLU 28 2HG GLU 28 6.957 -5.731 2.063
203 HG3 GLU 28 3HG GLU 28 5.341 -6.076 2.676
204 H GLU 29 H GLU 29 7.962 -2.084 5.061
205 HA GLU 29 HA GLU 29 6.190 0.226 4.726
206 HB2 GLU 29 2HB GLU 29 6.134 -1.550 6.953
207 HB3 GLU 29 3HB GLU 29 6.802 -0.019 7.500
208 HG2 GLU 29 2HG GLU 29 4.784 1.035 6.291
209 HG3 GLU 29 3HG GLU 29 4.107 -0.592 6.342
210 H TRP 30 H TRP 30 7.158 1.868 6.655
211 HA TRP 30 HA TRP 30 10.027 2.077 6.013
212 HB2 TRP 30 2HB TRP 30 7.900 4.205 6.131
213 HB3 TRP 30 3HB TRP 30 9.608 4.603 6.299
214 HD1 TRP 30 HD1 TRP 30 7.046 3.422 3.724
215 HE1 TRP 30 HE1 TRP 30 8.068 3.658 1.374
216 HE3 TRP 30 HE3 TRP 30 11.841 4.613 5.040
217 HZ2 TRP 30 HZ2 TRP 30 10.575 4.268 0.229
218 HZ3 TRP 30 HZ3 TRP 30 13.490 5.007 3.256
219 HH2 TRP 30 HH2 TRP 30 12.868 4.837 0.901
220 H PHE 31 H PHE 31 11.392 2.990 7.612
221 HA PHE 31 HA PHE 31 10.277 3.427 10.266
222 HB2 PHE 31 2HB PHE 31 12.361 1.309 9.696
223 HB3 PHE 31 3HB PHE 31 11.896 1.853 11.305
224 HD1 PHE 31 HD2 PHE 31 10.796 0.023 8.317
225 HD2 PHE 31 HD1 PHE 31 9.860 1.132 12.318
226 HE1 PHE 31 HE2 PHE 31 8.989 -1.645 8.353
227 HE2 PHE 31 HE1 PHE 31 8.052 -0.536 12.361
228 HZ PHE 31 HZ PHE 31 7.613 -1.926 10.376
229 H HIS 32 H HIS 32 11.289 5.042 11.278
230 HA HIS 32 HA HIS 32 13.244 6.597 10.042
231 HB2 HIS 32 2HB HIS 32 12.276 6.434 12.888
232 HB3 HIS 32 3HB HIS 32 13.544 7.561 12.415
233 HD2 HIS 32 HD2 HIS 32 12.570 9.285 10.143
234 HE1 HIS 32 HE1 HIS 32 8.642 9.218 11.747
235 HE2 HIS 32 HE2 HIS 32 10.192 10.301 10.083
236 H GLY 33 H GLY 33 15.399 6.493 9.926
237 HA2 GLY 33 2HA GLY 33 16.861 4.243 10.589
238 HA3 GLY 33 3HA GLY 33 17.564 5.829 10.310
239 H ASP 34 H ASP 34 16.034 6.959 12.603
240 HA ASP 34 HA ASP 34 18.005 6.422 14.614
241 HB2 ASP 34 2HB ASP 34 16.082 8.465 14.071
242 HB3 ASP 34 3HB ASP 34 15.828 7.884 15.714
243 H CYS 35 H CYS 35 14.461 6.037 14.508
244 HA CYS 35 HA CYS 35 14.120 4.772 16.944
245 HB2 CYS 35 2HB CYS 35 12.586 4.298 14.379
246 HB3 CYS 35 3HB CYS 35 12.043 3.833 15.987
247 H VAL 36 H VAL 36 15.054 3.406 13.832
248 HA VAL 36 HA VAL 36 15.059 0.700 14.864
249 HB VAL 36 HB VAL 36 15.988 0.113 12.620
250 HG11 VAL 36 1HG1 VAL 36 13.490 1.797 12.498
251 HG12 VAL 36 2HG1 VAL 36 13.929 0.466 11.425
252 HG13 VAL 36 3HG1 VAL 36 13.557 0.148 13.120
253 HG21 VAL 36 3HG2 VAL 36 16.430 2.939 12.525
254 HG22 VAL 36 1HG2 VAL 36 16.956 1.691 11.395
255 HG23 VAL 36 2HG2 VAL 36 15.383 2.461 11.189
256 H GLY 37 H GLY 37 17.324 3.292 14.336
257 HA2 GLY 37 2HA GLY 37 19.361 3.342 15.621
258 HA3 GLY 37 3HA GLY 37 19.435 1.591 15.490
259 H ILE 38 H ILE 38 18.586 2.081 12.544
260 HA ILE 38 HA ILE 38 21.113 1.743 11.402
261 HB ILE 38 HB ILE 38 18.546 2.671 10.114
262 HG12 ILE 38 2HG1 ILE 38 18.481 0.427 11.160
263 HG13 ILE 38 3HG1 ILE 38 18.320 0.352 9.409
264 HG21 ILE 38 1HG2 ILE 38 21.250 2.230 9.021
265 HG22 ILE 38 2HG2 ILE 38 19.916 1.536 8.102
266 HG23 ILE 38 3HG2 ILE 38 19.945 3.266 8.443
267 HD11 ILE 38 3HD1 ILE 38 21.070 0.147 10.013
268 HD12 ILE 38 1HD1 ILE 38 20.201 -0.952 11.084
269 HD13 ILE 38 2HD1 ILE 38 19.997 -1.078 9.336
270 H SER 39 H SER 39 22.537 3.095 10.380
271 HA SER 39 HA SER 39 22.293 5.921 11.048
272 HB2 SER 39 2HB SER 39 24.652 4.578 9.728
273 HB3 SER 39 3HB SER 39 24.631 6.088 10.638
274 HG SER 39 HG SER 39 24.616 5.004 12.477
275 H GLU 40 H GLU 40 22.476 7.594 9.533
276 HA GLU 40 HA GLU 40 21.059 7.340 7.180
277 HB2 GLU 40 2HB GLU 40 23.157 9.369 7.952
278 HB3 GLU 40 3HB GLU 40 22.146 9.517 6.521
279 HG2 GLU 40 2HG GLU 40 20.877 10.741 7.917
280 HG3 GLU 40 3HG GLU 40 20.234 9.157 8.345
281 H ALA 41 H ALA 41 24.517 7.000 7.728
282 HA ALA 41 HA ALA 41 25.181 6.799 4.946
283 HB1 ALA 41 1HB ALA 41 27.234 7.126 5.717
284 HB2 ALA 41 2HB ALA 41 26.598 7.091 7.363
285 HB3 ALA 41 3HB ALA 41 27.175 5.605 6.609
286 H ARG 42 H ARG 42 24.257 4.581 7.469
287 HA ARG 42 HA ARG 42 25.155 2.209 6.159
288 HB2 ARG 42 2HB ARG 42 23.189 2.681 8.400
289 HB3 ARG 42 3HB ARG 42 23.612 1.077 7.814
290 HG2 ARG 42 2HG ARG 42 25.933 2.720 8.456
291 HG3 ARG 42 3HG ARG 42 24.869 2.427 9.833
292 HD2 ARG 42 2HD ARG 42 25.119 0.106 9.678
293 HD3 ARG 42 3HD ARG 42 25.735 0.194 8.029
294 HE ARG 42 HE ARG 42 27.434 1.516 9.911
295 HH11 ARG 42 1HH1 ARG 42 26.584 -1.577 8.559
296 HH12 ARG 42 2HH1 ARG 42 28.126 -2.292 8.891
297 HH21 ARG 42 1HH2 ARG 42 29.469 0.585 10.355
298 HH22 ARG 42 2HH2 ARG 42 29.766 -1.062 9.914
299 H GLY 43 H GLY 43 21.945 3.707 6.569
300 HA2 GLY 43 2HA GLY 43 20.483 1.847 5.083
301 HA3 GLY 43 3HA GLY 43 20.026 3.526 5.325
302 H ARG 44 H ARG 44 22.473 4.521 4.024
303 HA ARG 44 HA ARG 44 21.468 4.624 1.363
304 HB2 ARG 44 2HB ARG 44 22.725 6.467 2.533
305 HB3 ARG 44 3HB ARG 44 24.188 5.515 2.324
306 HG2 ARG 44 2HG ARG 44 24.258 6.999 0.551
307 HG3 ARG 44 3HG ARG 44 23.592 5.536 -0.178
308 HD2 ARG 44 2HD ARG 44 22.158 7.138 -0.995
309 HD3 ARG 44 3HD ARG 44 21.300 6.615 0.454
310 HE ARG 44 HE ARG 44 22.845 8.706 1.287
311 HH11 ARG 44 1HH1 ARG 44 20.437 8.250 -1.185
312 HH12 ARG 44 2HH1 ARG 44 19.882 9.890 -1.131
313 HH21 ARG 44 1HH2 ARG 44 22.125 10.869 1.367
314 HH22 ARG 44 2HH2 ARG 44 20.844 11.380 0.320
315 H LEU 45 H LEU 45 24.038 2.844 2.958
316 HA LEU 45 HA LEU 45 25.291 1.878 0.604
317 HB2 LEU 45 2HB LEU 45 25.894 1.848 3.252
318 HB3 LEU 45 3HB LEU 45 25.408 0.173 2.994
319 HG LEU 45 HG LEU 45 27.150 0.657 0.909
320 HD11 LEU 45 1HD1 LEU 45 28.064 2.657 1.613
321 HD12 LEU 45 2HD1 LEU 45 29.175 1.476 2.305
322 HD13 LEU 45 3HD1 LEU 45 27.947 2.232 3.321
323 HD21 LEU 45 3HD2 LEU 45 27.938 -0.467 3.586
324 HD22 LEU 45 1HD2 LEU 45 28.554 -0.909 1.993
325 HD23 LEU 45 2HD2 LEU 45 26.902 -1.328 2.447
326 H LEU 46 H LEU 46 22.908 0.445 2.818
327 HA LEU 46 HA LEU 46 22.647 -2.029 1.560
328 HB2 LEU 46 2HB LEU 46 20.440 -0.503 2.926
329 HB3 LEU 46 3HB LEU 46 20.554 -2.249 2.712
330 HG LEU 46 HG LEU 46 22.285 -0.537 4.493
331 HD11 LEU 46 1HD1 LEU 46 21.174 -1.515 6.308
332 HD12 LEU 46 2HD1 LEU 46 20.432 -2.757 5.298
333 HD13 LEU 46 3HD1 LEU 46 19.891 -1.083 5.177
334 HD21 LEU 46 3HD2 LEU 46 22.619 -3.256 3.435
335 HD22 LEU 46 1HD2 LEU 46 22.797 -3.108 5.184
336 HD23 LEU 46 2HD2 LEU 46 23.809 -2.142 4.110
337 H GLU 47 H GLU 47 21.316 1.092 0.748
338 HA GLU 47 HA GLU 47 19.338 0.145 -1.070
339 HB2 GLU 47 2HB GLU 47 20.621 2.819 -0.581
340 HB3 GLU 47 3HB GLU 47 19.522 2.578 -1.931
341 HG2 GLU 47 2HG GLU 47 18.674 1.782 0.813
342 HG3 GLU 47 3HG GLU 47 18.640 3.481 0.343
343 H ARG 48 H ARG 48 22.716 1.052 -1.350
344 HA ARG 48 HA ARG 48 22.711 0.925 -4.232
345 HB2 ARG 48 2HB ARG 48 25.004 1.099 -2.268
346 HB3 ARG 48 3HB ARG 48 25.150 1.254 -4.014
347 HG2 ARG 48 2HG ARG 48 23.566 3.090 -2.228
348 HG3 ARG 48 3HG ARG 48 25.172 3.423 -2.880
349 HD2 ARG 48 2HD ARG 48 24.192 3.143 -5.173
350 HD3 ARG 48 3HD ARG 48 22.603 3.070 -4.413
351 HE ARG 48 HE ARG 48 22.688 5.339 -4.077
352 HH11 ARG 48 1HH1 ARG 48 25.846 4.176 -4.969
353 HH12 ARG 48 2HH1 ARG 48 26.516 5.761 -5.170
354 HH21 ARG 48 1HH2 ARG 48 23.558 7.431 -4.339
355 HH22 ARG 48 2HH2 ARG 48 25.214 7.612 -4.811
356 H ASN 49 H ASN 49 23.511 -1.180 -1.554
357 HA ASN 49 HA ASN 49 24.747 -3.172 -3.245
358 HB2 ASN 49 2HB ASN 49 24.064 -3.058 -0.311
359 HB3 ASN 49 3HB ASN 49 24.667 -4.530 -1.068
360 HD21 ASN 49 1HD2 ASN 49 25.822 -2.758 0.994
361 HD22 ASN 49 2HD2 ASN 49 27.380 -2.314 0.392
362 H GLY 50 H GLY 50 21.593 -2.425 -2.068
363 HA2 GLY 50 2HA GLY 50 19.574 -3.342 -2.759
364 HA3 GLY 50 3HA GLY 50 20.467 -4.588 -3.618
365 H GLU 51 H GLU 51 21.240 -4.038 -0.302
366 HA GLU 51 HA GLU 51 20.443 -6.713 0.378
367 HB2 GLU 51 2HB GLU 51 21.561 -4.487 2.092
368 HB3 GLU 51 3HB GLU 51 21.335 -6.149 2.621
369 HG2 GLU 51 2HG GLU 51 22.951 -5.682 0.180
370 HG3 GLU 51 3HG GLU 51 23.657 -5.253 1.737
371 H ASP 52 H ASP 52 18.383 -7.185 0.754
372 HA ASP 52 HA ASP 52 16.375 -5.341 1.403
373 HB2 ASP 52 2HB ASP 52 16.369 -8.321 1.924
374 HB3 ASP 52 3HB ASP 52 14.954 -7.277 1.814
375 H TYR 53 H TYR 53 16.728 -4.095 3.178
376 HA TYR 53 HA TYR 53 17.679 -5.154 5.658
377 HB2 TYR 53 2HB TYR 53 18.226 -2.896 5.269
378 HB3 TYR 53 3HB TYR 53 16.578 -2.484 4.810
379 HD1 TYR 53 HD2 TYR 53 14.872 -2.099 6.505
380 HD2 TYR 53 HD1 TYR 53 18.871 -3.052 7.602
381 HE1 TYR 53 HE2 TYR 53 14.411 -1.358 8.804
382 HE2 TYR 53 HE1 TYR 53 18.421 -2.315 9.905
383 HH TYR 53 HH TYR 53 16.836 -1.684 11.360
384 H ILE 54 H ILE 54 16.554 -5.440 7.587
385 HA ILE 54 HA ILE 54 13.618 -5.469 7.382
386 HB ILE 54 HB ILE 54 15.340 -7.611 8.632
387 HG12 ILE 54 2HG1 ILE 54 13.462 -7.660 6.260
388 HG13 ILE 54 3HG1 ILE 54 15.217 -7.770 6.196
389 HG21 ILE 54 1HG2 ILE 54 13.226 -8.747 9.143
390 HG22 ILE 54 2HG2 ILE 54 13.364 -7.203 9.983
391 HG23 ILE 54 3HG2 ILE 54 12.338 -7.342 8.555
392 HD11 ILE 54 3HD1 ILE 54 13.357 -9.780 7.441
393 HD12 ILE 54 1HD1 ILE 54 14.203 -9.946 5.903
394 HD13 ILE 54 2HD1 ILE 54 15.117 -9.890 7.411
395 H CYS 55 H CYS 55 12.884 -4.005 8.770
396 HA CYS 55 HA CYS 55 14.199 -2.762 10.815
397 HB2 CYS 55 2HB CYS 55 11.972 -2.216 11.755
398 HB3 CYS 55 3HB CYS 55 12.046 -1.980 10.013
399 HA PRO 56 HA PRO 56 14.655 -5.530 14.186
400 HB2 PRO 56 2HB PRO 56 14.298 -3.876 16.309
401 HB3 PRO 56 3HB PRO 56 15.741 -3.833 15.290
402 HG2 PRO 56 2HG PRO 56 13.324 -2.068 15.226
403 HG3 PRO 56 3HG PRO 56 15.036 -1.626 15.087
404 HD2 PRO 56 2HD PRO 56 13.406 -1.833 12.935
405 HD3 PRO 56 3HD PRO 56 15.138 -2.216 12.861
406 H ASN 57 H ASN 57 11.695 -4.053 13.516
407 HA ASN 57 HA ASN 57 10.246 -5.129 15.771
408 HB2 ASN 57 2HB ASN 57 9.773 -3.118 13.876
409 HB3 ASN 57 3HB ASN 57 8.572 -4.361 13.536
410 HD21 ASN 57 1HD2 ASN 57 7.939 -1.814 14.467
411 HD22 ASN 57 2HD2 ASN 57 7.265 -1.958 16.052
412 H CYS 58 H CYS 58 10.640 -5.877 12.337
413 HA CYS 58 HA CYS 58 8.824 -8.097 12.412
414 HB2 CYS 58 2HB CYS 58 10.808 -7.116 10.363
415 HB3 CYS 58 3HB CYS 58 9.859 -8.579 10.129
416 H THR 59 H THR 59 12.343 -7.707 12.409
417 HA THR 59 HA THR 59 13.154 -10.328 12.190
418 HB THR 59 HB THR 59 14.656 -8.312 12.328
419 HG1 THR 59 HG1 THR 59 16.308 -9.545 13.502
420 HG21 THR 59 3HG2 THR 59 15.413 -7.554 14.491
421 HG22 THR 59 1HG2 THR 59 14.381 -8.728 15.307
422 HG23 THR 59 2HG2 THR 59 13.659 -7.391 14.412
423 H ILE 60 H ILE 60 11.704 -8.714 14.923
424 HA ILE 60 HA ILE 60 12.081 -11.123 16.567
425 HB ILE 60 HB ILE 60 11.493 -9.754 18.494
426 HG12 ILE 60 2HG1 ILE 60 11.572 -7.139 17.780
427 HG13 ILE 60 3HG1 ILE 60 10.760 -7.824 16.376
428 HG21 ILE 60 1HG2 ILE 60 13.844 -9.739 17.204
429 HG22 ILE 60 2HG2 ILE 60 13.486 -8.013 17.187
430 HG23 ILE 60 3HG2 ILE 60 13.566 -8.881 18.720
431 HD11 ILE 60 3HD1 ILE 60 9.265 -8.977 18.179
432 HD12 ILE 60 1HD1 ILE 60 9.853 -7.668 19.203
433 HD13 ILE 60 2HD1 ILE 60 8.983 -7.300 17.714
434 H LEU 61 H LEU 61 9.731 -9.200 14.928
435 HA LEU 61 HA LEU 61 7.601 -10.933 15.994
436 HB2 LEU 61 2HB LEU 61 7.704 -8.328 16.529
437 HB3 LEU 61 3HB LEU 61 6.913 -8.241 14.957
438 HG LEU 61 HG LEU 61 5.238 -8.185 16.667
439 HD11 LEU 61 1HD1 LEU 61 4.866 -9.553 14.584
440 HD12 LEU 61 2HD1 LEU 61 3.837 -9.954 15.958
441 HD13 LEU 61 3HD1 LEU 61 5.214 -10.981 15.558
442 HD21 LEU 61 3HD2 LEU 61 5.150 -10.550 17.977
443 HD22 LEU 61 1HD2 LEU 61 5.889 -9.085 18.623
444 HD23 LEU 61 2HD2 LEU 61 6.893 -10.311 17.847
Start of MODEL 19
1 H1 GLY 1 H GLY 1 1.193 -0.587 -4.032
2 HA2 GLY 1 2HA GLY 1 2.818 1.175 -5.192
3 HA3 GLY 1 3HA GLY 1 1.577 1.712 -4.070
4 H SER 2 H SER 2 3.753 3.270 -4.362
5 HA SER 2 HA SER 2 5.769 2.630 -2.405
6 HB2 SER 2 2HB SER 2 5.727 5.416 -3.206
7 HB3 SER 2 3HB SER 2 6.966 4.193 -3.483
8 HG SER 2 HG SER 2 6.268 3.979 -5.448
9 H MET 3 H MET 3 6.317 4.762 -0.969
10 HA MET 3 HA MET 3 4.057 4.946 0.846
11 HB2 MET 3 2HB MET 3 5.605 5.805 2.451
12 HB3 MET 3 3HB MET 3 6.386 4.456 1.638
13 HG2 MET 3 2HG MET 3 8.109 5.776 1.232
14 HG3 MET 3 3HG MET 3 7.078 6.713 0.153
15 HE1 MET 3 3HE MET 3 9.411 7.690 3.445
16 HE2 MET 3 1HE MET 3 8.048 7.256 4.478
17 HE3 MET 3 2HE MET 3 8.669 6.096 3.303
18 H ASP 4 H ASP 4 3.686 7.119 1.925
19 HA ASP 4 HA ASP 4 3.871 9.303 -0.042
20 HB2 ASP 4 2HB ASP 4 1.498 8.044 1.028
21 HB3 ASP 4 3HB ASP 4 1.539 9.753 1.453
22 HA PRO 5 HA PRO 5 5.348 11.889 3.176
23 HB2 PRO 5 2HB PRO 5 4.151 14.262 2.620
24 HB3 PRO 5 3HB PRO 5 5.455 13.589 1.634
25 HG2 PRO 5 2HG PRO 5 2.499 13.526 1.165
26 HG3 PRO 5 3HG PRO 5 3.808 13.842 0.012
27 HD2 PRO 5 2HD PRO 5 2.575 11.438 0.193
28 HD3 PRO 5 3HD PRO 5 4.285 11.602 -0.253
29 H ASN 6 H ASN 6 1.842 12.022 2.676
30 HA ASN 6 HA ASN 6 1.442 12.838 5.452
31 HB2 ASN 6 2HB ASN 6 -0.474 12.541 3.132
32 HB3 ASN 6 3HB ASN 6 -0.974 12.980 4.763
33 HD21 ASN 6 1HD2 ASN 6 0.421 14.046 1.828
34 HD22 ASN 6 2HD2 ASN 6 0.625 15.705 2.265
35 H ALA 7 H ALA 7 2.512 10.255 5.038
36 HA ALA 7 HA ALA 7 0.267 8.581 5.959
37 HB1 ALA 7 1HB ALA 7 0.881 7.733 3.837
38 HB2 ALA 7 2HB ALA 7 2.601 7.828 4.217
39 HB3 ALA 7 3HB ALA 7 1.583 6.640 5.030
40 H LEU 8 H LEU 8 1.128 6.612 7.218
41 HA LEU 8 HA LEU 8 3.421 7.369 8.892
42 HB2 LEU 8 2HB LEU 8 0.756 6.371 9.887
43 HB3 LEU 8 3HB LEU 8 2.190 6.609 10.884
44 HG LEU 8 HG LEU 8 0.622 8.764 9.468
45 HD11 LEU 8 1HD1 LEU 8 0.564 9.373 12.093
46 HD12 LEU 8 2HD1 LEU 8 0.556 7.612 12.175
47 HD13 LEU 8 3HD1 LEU 8 -0.696 8.458 11.266
48 HD21 LEU 8 3HD2 LEU 8 3.326 8.714 10.404
49 HD22 LEU 8 1HD2 LEU 8 2.378 9.827 11.392
50 HD23 LEU 8 2HD2 LEU 8 2.434 10.032 9.641
51 H TYR 9 H TYR 9 4.672 5.693 9.634
52 HA TYR 9 HA TYR 9 3.807 2.951 9.143
53 HB2 TYR 9 2HB TYR 9 6.498 3.835 8.127
54 HB3 TYR 9 3HB TYR 9 5.620 2.353 7.763
55 HD1 TYR 9 HD2 TYR 9 3.683 2.412 6.220
56 HD2 TYR 9 HD1 TYR 9 6.108 5.844 6.892
57 HE1 TYR 9 HE2 TYR 9 2.769 3.449 4.186
58 HE2 TYR 9 HE1 TYR 9 5.199 6.891 4.860
59 HH TYR 9 HH TYR 9 2.868 5.182 2.798
60 H CYS 10 H CYS 10 6.638 4.896 10.106
61 HA CYS 10 HA CYS 10 7.910 3.084 11.727
62 HB2 CYS 10 2HB CYS 10 8.736 5.371 11.124
63 HB3 CYS 10 3HB CYS 10 7.644 6.034 12.334
64 H ILE 11 H ILE 11 7.981 2.828 14.045
65 HA ILE 11 HA ILE 11 5.533 2.217 15.198
66 HB ILE 11 HB ILE 11 6.767 2.177 17.382
67 HG12 ILE 11 2HG1 ILE 11 9.065 3.081 15.634
68 HG13 ILE 11 3HG1 ILE 11 8.339 3.995 16.951
69 HG21 ILE 11 1HG2 ILE 11 6.868 0.460 15.269
70 HG22 ILE 11 2HG2 ILE 11 8.579 0.722 15.603
71 HG23 ILE 11 3HG2 ILE 11 7.515 0.125 16.875
72 HD11 ILE 11 3HD1 ILE 11 10.464 2.966 17.584
73 HD12 ILE 11 1HD1 ILE 11 9.120 2.358 18.551
74 HD13 ILE 11 2HD1 ILE 11 9.786 1.374 17.247
75 H CYS 12 H CYS 12 7.427 5.178 15.374
76 HA CYS 12 HA CYS 12 5.796 6.409 17.373
77 HB2 CYS 12 2HB CYS 12 7.048 8.447 16.847
78 HB3 CYS 12 3HB CYS 12 8.134 7.075 17.029
79 H ARG 13 H ARG 13 5.399 5.829 14.067
80 HA ARG 13 HA ARG 13 3.835 6.458 12.540
81 HB2 ARG 13 2HB ARG 13 2.543 7.032 15.150
82 HB3 ARG 13 3HB ARG 13 1.808 7.758 13.727
83 HG2 ARG 13 2HG ARG 13 0.664 5.770 13.909
84 HG3 ARG 13 3HG ARG 13 1.930 5.362 12.748
85 HD2 ARG 13 2HD ARG 13 3.194 4.218 14.378
86 HD3 ARG 13 3HD ARG 13 2.247 4.899 15.700
87 HE ARG 13 HE ARG 13 0.634 3.339 13.949
88 HH11 ARG 13 1HH1 ARG 13 2.941 3.126 16.547
89 HH12 ARG 13 2HH1 ARG 13 2.357 1.597 17.114
90 HH21 ARG 13 1HH2 ARG 13 -0.144 1.326 14.686
91 HH22 ARG 13 2HH2 ARG 13 0.603 0.573 16.054
92 H GLN 14 H GLN 14 5.649 7.971 11.935
93 HA GLN 14 HA GLN 14 4.598 10.705 11.899
94 HB2 GLN 14 2HB GLN 14 7.208 9.811 12.985
95 HB3 GLN 14 3HB GLN 14 7.224 11.268 12.000
96 HG2 GLN 14 2HG GLN 14 5.129 11.774 13.641
97 HG3 GLN 14 3HG GLN 14 6.169 10.819 14.696
98 HE21 GLN 14 1HE2 GLN 14 5.433 13.860 13.841
99 HE22 GLN 14 2HE2 GLN 14 6.931 14.649 14.185
100 HA PRO 15 HA PRO 15 5.577 10.665 7.624
101 HB2 PRO 15 2HB PRO 15 6.274 13.252 7.186
102 HB3 PRO 15 3HB PRO 15 4.608 12.744 7.491
103 HG2 PRO 15 2HG PRO 15 6.601 13.937 9.380
104 HG3 PRO 15 3HG PRO 15 4.875 14.302 9.197
105 HD2 PRO 15 2HD PRO 15 5.825 12.708 11.168
106 HD3 PRO 15 3HD PRO 15 4.226 12.469 10.433
107 H HIS 16 H HIS 16 7.271 10.543 6.156
108 HA HIS 16 HA HIS 16 9.891 10.257 7.303
109 HB2 HIS 16 2HB HIS 16 10.526 9.275 5.265
110 HB3 HIS 16 3HB HIS 16 8.836 8.815 5.452
111 HD1 HIS 16 HD1 HIS 16 7.197 10.816 4.218
112 HD2 HIS 16 HD2 HIS 16 11.003 10.057 2.736
113 HE1 HIS 16 HE1 HIS 16 7.182 11.674 1.854
114 H ASN 17 H ASN 17 8.185 12.858 6.128
115 HA ASN 17 HA ASN 17 10.199 14.247 4.690
116 HB2 ASN 17 2HB ASN 17 8.697 15.993 4.559
117 HB3 ASN 17 3HB ASN 17 7.598 14.652 4.871
118 HD21 ASN 17 1HD2 ASN 17 7.888 14.242 7.531
119 HD22 ASN 17 2HD2 ASN 17 7.363 15.634 8.410
120 H ASN 18 H ASN 18 9.887 13.501 7.954
121 HA ASN 18 HA ASN 18 11.067 15.859 9.065
122 HB2 ASN 18 2HB ASN 18 10.243 13.191 10.059
123 HB3 ASN 18 3HB ASN 18 11.518 13.998 10.966
124 HD21 ASN 18 1HD2 ASN 18 10.218 14.291 12.759
125 HD22 ASN 18 2HD2 ASN 18 8.930 15.442 12.791
126 H ARG 19 H ARG 19 12.404 12.604 9.431
127 HA ARG 19 HA ARG 19 15.018 13.658 8.570
128 HB2 ARG 19 2HB ARG 19 16.098 12.296 10.258
129 HB3 ARG 19 3HB ARG 19 14.906 13.340 11.020
130 HG2 ARG 19 2HG ARG 19 13.545 10.976 10.423
131 HG3 ARG 19 3HG ARG 19 15.116 10.477 11.052
132 HD2 ARG 19 2HD ARG 19 13.467 12.567 12.434
133 HD3 ARG 19 3HD ARG 19 13.196 10.848 12.720
134 HE ARG 19 HE ARG 19 15.905 11.287 13.064
135 HH11 ARG 19 1HH1 ARG 19 12.927 12.359 14.515
136 HH12 ARG 19 2HH1 ARG 19 13.625 12.598 16.083
137 HH21 ARG 19 1HH2 ARG 19 16.835 11.597 15.124
138 HH22 ARG 19 2HH2 ARG 19 15.848 12.165 16.428
139 H PHE 20 H PHE 20 16.500 11.388 8.582
140 HA PHE 20 HA PHE 20 15.786 10.154 6.161
141 HB2 PHE 20 2HB PHE 20 18.093 10.214 6.739
142 HB3 PHE 20 3HB PHE 20 17.799 9.428 8.287
143 HD1 PHE 20 HD1 PHE 20 17.407 7.034 8.414
144 HD2 PHE 20 HD2 PHE 20 18.227 8.947 4.701
145 HE1 PHE 20 HE1 PHE 20 17.878 4.845 7.393
146 HE2 PHE 20 HE2 PHE 20 18.698 6.761 3.675
147 HZ PHE 20 HZ PHE 20 18.523 4.706 5.020
148 H MET 21 H MET 21 15.047 8.074 5.691
149 HA MET 21 HA MET 21 13.997 6.484 7.915
150 HB2 MET 21 2HB MET 21 12.411 7.643 5.647
151 HB3 MET 21 3HB MET 21 11.912 6.133 6.396
152 HG2 MET 21 2HG MET 21 12.222 7.602 8.597
153 HG3 MET 21 3HG MET 21 11.853 8.890 7.453
154 HE1 MET 21 3HE MET 21 10.123 5.936 9.619
155 HE2 MET 21 1HE MET 21 9.177 5.262 8.291
156 HE3 MET 21 2HE MET 21 10.937 5.293 8.193
157 H ILE 22 H ILE 22 13.776 4.276 7.481
158 HA ILE 22 HA ILE 22 15.152 3.387 5.035
159 HB ILE 22 HB ILE 22 16.227 2.829 7.235
160 HG12 ILE 22 2HG1 ILE 22 15.361 0.329 5.796
161 HG13 ILE 22 3HG1 ILE 22 16.423 1.507 5.033
162 HG21 ILE 22 1HG2 ILE 22 15.096 1.858 8.883
163 HG22 ILE 22 2HG2 ILE 22 13.633 2.068 7.922
164 HG23 ILE 22 3HG2 ILE 22 14.548 0.564 7.818
165 HD11 ILE 22 3HD1 ILE 22 17.664 -0.339 6.031
166 HD12 ILE 22 1HD1 ILE 22 18.059 1.200 6.796
167 HD13 ILE 22 2HD1 ILE 22 16.987 0.060 7.609
168 H CYS 23 H CYS 23 14.414 1.450 4.001
169 HA CYS 23 HA CYS 23 11.518 1.062 4.310
170 HB2 CYS 23 2HB CYS 23 12.111 1.819 2.103
171 HB3 CYS 23 3HB CYS 23 13.356 0.584 1.960
172 HG CYS 23 HG CYS 23 10.119 -0.369 2.371
173 H CYS 24 H CYS 24 10.763 -0.805 5.059
174 HA CYS 24 HA CYS 24 12.636 -3.049 5.335
175 HB2 CYS 24 2HB CYS 24 11.713 -2.333 7.442
176 HB3 CYS 24 3HB CYS 24 10.076 -2.389 6.799
177 H ASP 25 H ASP 25 12.435 -4.708 3.999
178 HA ASP 25 HA ASP 25 10.176 -4.942 2.242
179 HB2 ASP 25 2HB ASP 25 12.816 -6.262 2.540
180 HB3 ASP 25 3HB ASP 25 11.545 -7.213 1.775
181 H ARG 26 H ARG 26 11.153 -6.335 5.251
182 HA ARG 26 HA ARG 26 9.813 -8.761 5.248
183 HB2 ARG 26 2HB ARG 26 11.295 -7.479 7.068
184 HB3 ARG 26 3HB ARG 26 9.704 -7.134 7.734
185 HG2 ARG 26 2HG ARG 26 10.650 -9.909 7.067
186 HG3 ARG 26 3HG ARG 26 10.844 -9.164 8.655
187 HD2 ARG 26 2HD ARG 26 8.263 -8.722 8.393
188 HD3 ARG 26 3HD ARG 26 8.370 -10.073 7.265
189 HE ARG 26 HE ARG 26 9.602 -10.594 9.808
190 HH11 ARG 26 1HH1 ARG 26 6.623 -10.642 8.008
191 HH12 ARG 26 2HH1 ARG 26 5.885 -11.848 9.009
192 HH21 ARG 26 1HH2 ARG 26 8.642 -12.183 11.134
193 HH22 ARG 26 2HH2 ARG 26 7.034 -12.723 10.788
194 H CYS 27 H CYS 27 8.560 -5.777 6.754
195 HA CYS 27 HA CYS 27 5.846 -6.809 6.429
196 HB2 CYS 27 2HB CYS 27 5.216 -4.902 7.912
197 HB3 CYS 27 3HB CYS 27 6.369 -6.012 8.643
198 H GLU 28 H GLU 28 7.979 -4.871 4.773
199 HA GLU 28 HA GLU 28 7.761 -3.509 2.962
200 HB2 GLU 28 2HB GLU 28 4.796 -4.042 3.020
201 HB3 GLU 28 3HB GLU 28 5.795 -3.614 1.638
202 HG2 GLU 28 2HG GLU 28 6.988 -5.903 2.355
203 HG3 GLU 28 3HG GLU 28 5.352 -6.229 2.924
204 H GLU 29 H GLU 29 7.997 -2.185 5.242
205 HA GLU 29 HA GLU 29 6.219 0.114 4.866
206 HB2 GLU 29 2HB GLU 29 6.171 -1.618 7.128
207 HB3 GLU 29 3HB GLU 29 6.837 -0.074 7.642
208 HG2 GLU 29 2HG GLU 29 4.725 0.570 7.884
209 HG3 GLU 29 3HG GLU 29 4.692 0.690 6.126
210 H TRP 30 H TRP 30 7.187 1.796 6.761
211 HA TRP 30 HA TRP 30 10.056 1.996 6.112
212 HB2 TRP 30 2HB TRP 30 7.926 4.124 6.180
213 HB3 TRP 30 3HB TRP 30 9.633 4.527 6.336
214 HD1 TRP 30 HD1 TRP 30 7.072 3.271 3.794
215 HE1 TRP 30 HE1 TRP 30 8.090 3.456 1.437
216 HE3 TRP 30 HE3 TRP 30 11.861 4.524 5.073
217 HZ2 TRP 30 HZ2 TRP 30 10.592 4.053 0.274
218 HZ3 TRP 30 HZ3 TRP 30 13.505 4.884 3.279
219 HH2 TRP 30 HH2 TRP 30 12.882 4.653 0.929
220 H PHE 31 H PHE 31 11.421 2.929 7.691
221 HA PHE 31 HA PHE 31 10.303 3.432 10.333
222 HB2 PHE 31 2HB PHE 31 12.393 1.308 9.813
223 HB3 PHE 31 3HB PHE 31 11.923 1.885 11.408
224 HD1 PHE 31 HD2 PHE 31 10.829 -0.006 8.456
225 HD2 PHE 31 HD1 PHE 31 9.894 1.174 12.437
226 HE1 PHE 31 HE2 PHE 31 9.027 -1.679 8.525
227 HE2 PHE 31 HE1 PHE 31 8.090 -0.498 12.513
228 HZ PHE 31 HZ PHE 31 7.654 -1.927 10.555
229 H HIS 32 H HIS 32 11.322 5.056 11.329
230 HA HIS 32 HA HIS 32 13.267 6.597 10.055
231 HB2 HIS 32 2HB HIS 32 12.308 6.483 12.905
232 HB3 HIS 32 3HB HIS 32 13.571 7.605 12.408
233 HD2 HIS 32 HD2 HIS 32 12.574 9.262 10.083
234 HE1 HIS 32 HE1 HIS 32 8.670 9.250 11.743
235 HE2 HIS 32 HE2 HIS 32 10.197 10.281 10.026
236 H GLY 33 H GLY 33 15.423 6.497 9.937
237 HA2 GLY 33 2HA GLY 33 16.891 4.262 10.637
238 HA3 GLY 33 3HA GLY 33 17.591 5.844 10.326
239 H ASP 34 H ASP 34 16.059 7.010 12.604
240 HA ASP 34 HA ASP 34 18.039 6.519 14.618
241 HB2 ASP 34 2HB ASP 34 17.171 8.762 14.343
242 HB3 ASP 34 3HB ASP 34 15.527 8.203 14.640
243 H CYS 35 H CYS 35 14.495 6.118 14.531
244 HA CYS 35 HA CYS 35 14.171 4.893 16.991
245 HB2 CYS 35 2HB CYS 35 12.621 4.368 14.445
246 HB3 CYS 35 3HB CYS 35 12.088 3.941 16.067
247 H VAL 36 H VAL 36 15.092 3.482 13.896
248 HA VAL 36 HA VAL 36 15.103 0.790 14.963
249 HB VAL 36 HB VAL 36 16.032 0.174 12.728
250 HG11 VAL 36 1HG1 VAL 36 13.975 0.510 11.528
251 HG12 VAL 36 2HG1 VAL 36 13.599 0.219 13.228
252 HG13 VAL 36 3HG1 VAL 36 13.535 1.858 12.577
253 HG21 VAL 36 3HG2 VAL 36 17.006 1.741 11.488
254 HG22 VAL 36 1HG2 VAL 36 15.429 2.498 11.263
255 HG23 VAL 36 2HG2 VAL 36 16.467 3.003 12.596
256 H GLY 37 H GLY 37 17.365 3.378 14.407
257 HA2 GLY 37 2HA GLY 37 19.402 3.447 15.688
258 HA3 GLY 37 3HA GLY 37 19.476 1.694 15.584
259 H ILE 38 H ILE 38 18.629 2.140 12.630
260 HA ILE 38 HA ILE 38 21.157 1.783 11.495
261 HB ILE 38 HB ILE 38 18.590 2.691 10.190
262 HG12 ILE 38 2HG1 ILE 38 18.524 0.464 11.275
263 HG13 ILE 38 3HG1 ILE 38 18.363 0.361 9.525
264 HG21 ILE 38 1HG2 ILE 38 21.295 2.232 9.108
265 HG22 ILE 38 2HG2 ILE 38 19.963 1.519 8.200
266 HG23 ILE 38 3HG2 ILE 38 19.989 3.255 8.510
267 HD11 ILE 38 3HD1 ILE 38 21.112 0.164 10.135
268 HD12 ILE 38 1HD1 ILE 38 20.242 -0.917 11.222
269 HD13 ILE 38 2HD1 ILE 38 20.040 -1.071 9.476
270 H SER 39 H SER 39 22.582 3.120 10.457
271 HA SER 39 HA SER 39 22.338 5.956 11.080
272 HB2 SER 39 2HB SER 39 24.726 4.841 9.676
273 HB3 SER 39 3HB SER 39 24.635 6.082 10.926
274 HG SER 39 HG SER 39 24.842 4.593 12.395
275 H GLU 40 H GLU 40 22.533 7.606 9.538
276 HA GLU 40 HA GLU 40 21.104 7.325 7.194
277 HB2 GLU 40 2HB GLU 40 21.552 9.494 8.224
278 HB3 GLU 40 3HB GLU 40 23.257 9.351 7.822
279 HG2 GLU 40 2HG GLU 40 21.996 9.020 5.394
280 HG3 GLU 40 3HG GLU 40 21.031 10.255 6.201
281 H ALA 41 H ALA 41 24.553 6.940 7.743
282 HA ALA 41 HA ALA 41 25.220 6.712 4.964
283 HB1 ALA 41 1HB ALA 41 27.103 5.511 6.842
284 HB2 ALA 41 2HB ALA 41 27.340 6.805 5.667
285 HB3 ALA 41 3HB ALA 41 26.657 7.167 7.252
286 H ARG 42 H ARG 42 24.335 4.506 7.530
287 HA ARG 42 HA ARG 42 25.142 2.128 6.164
288 HB2 ARG 42 2HB ARG 42 24.382 2.734 8.742
289 HB3 ARG 42 3HB ARG 42 23.002 1.825 8.139
290 HG2 ARG 42 2HG ARG 42 24.172 0.040 8.802
291 HG3 ARG 42 3HG ARG 42 25.059 0.273 7.294
292 HD2 ARG 42 2HD ARG 42 26.904 0.469 8.522
293 HD3 ARG 42 3HD ARG 42 26.268 2.010 9.094
294 HE ARG 42 HE ARG 42 25.974 1.046 11.134
295 HH11 ARG 42 1HH1 ARG 42 26.037 -1.470 8.729
296 HH12 ARG 42 2HH1 ARG 42 25.940 -2.757 9.885
297 HH21 ARG 42 1HH2 ARG 42 25.845 -0.639 12.666
298 HH22 ARG 42 2HH2 ARG 42 25.830 -2.283 12.124
299 H GLY 43 H GLY 43 21.978 3.657 6.768
300 HA2 GLY 43 2HA GLY 43 20.421 1.813 5.348
301 HA3 GLY 43 3HA GLY 43 19.981 3.487 5.652
302 H ARG 44 H ARG 44 21.811 4.898 4.237
303 HA ARG 44 HA ARG 44 20.813 4.819 1.634
304 HB2 ARG 44 2HB ARG 44 22.985 6.242 3.038
305 HB3 ARG 44 3HB ARG 44 23.176 6.113 1.294
306 HG2 ARG 44 2HG ARG 44 20.493 6.889 1.896
307 HG3 ARG 44 3HG ARG 44 21.621 7.953 2.737
308 HD2 ARG 44 2HD ARG 44 21.240 8.939 0.624
309 HD3 ARG 44 3HD ARG 44 22.836 8.195 0.537
310 HE ARG 44 HE ARG 44 22.050 6.820 -1.106
311 HH11 ARG 44 1HH1 ARG 44 19.342 8.139 0.640
312 HH12 ARG 44 2HH1 ARG 44 18.157 7.467 -0.431
313 HH21 ARG 44 1HH2 ARG 44 20.500 5.930 -2.523
314 HH22 ARG 44 2HH2 ARG 44 18.817 6.210 -2.229
315 H LEU 45 H LEU 45 23.433 3.093 3.103
316 HA LEU 45 HA LEU 45 24.759 2.371 0.675
317 HB2 LEU 45 2HB LEU 45 25.520 2.343 3.227
318 HB3 LEU 45 3HB LEU 45 24.994 0.667 3.090
319 HG LEU 45 HG LEU 45 26.570 0.717 0.966
320 HD11 LEU 45 1HD1 LEU 45 27.929 2.712 2.761
321 HD12 LEU 45 2HD1 LEU 45 27.027 3.166 1.316
322 HD13 LEU 45 3HD1 LEU 45 28.453 2.139 1.178
323 HD21 LEU 45 3HD2 LEU 45 26.858 -0.818 2.785
324 HD22 LEU 45 1HD2 LEU 45 27.466 0.463 3.833
325 HD23 LEU 45 2HD2 LEU 45 28.416 -0.063 2.443
326 H LEU 46 H LEU 46 22.562 0.662 2.889
327 HA LEU 46 HA LEU 46 22.447 -1.761 1.509
328 HB2 LEU 46 2HB LEU 46 20.221 -0.466 3.074
329 HB3 LEU 46 3HB LEU 46 20.389 -2.181 2.707
330 HG LEU 46 HG LEU 46 22.107 -0.540 4.564
331 HD11 LEU 46 1HD1 LEU 46 21.174 -1.807 6.308
332 HD12 LEU 46 2HD1 LEU 46 20.456 -2.969 5.192
333 HD13 LEU 46 3HD1 LEU 46 19.808 -1.332 5.298
334 HD21 LEU 46 3HD2 LEU 46 23.284 -2.648 5.028
335 HD22 LEU 46 1HD2 LEU 46 23.506 -2.114 3.362
336 HD23 LEU 46 2HD2 LEU 46 22.383 -3.425 3.725
337 H GLU 47 H GLU 47 20.864 1.285 0.909
338 HA GLU 47 HA GLU 47 18.868 0.292 -0.862
339 HB2 GLU 47 2HB GLU 47 19.592 2.800 0.255
340 HB3 GLU 47 3HB GLU 47 19.560 2.996 -1.492
341 HG2 GLU 47 2HG GLU 47 17.271 1.805 -1.342
342 HG3 GLU 47 3HG GLU 47 17.344 2.245 0.363
343 H ARG 48 H ARG 48 22.153 1.485 -1.272
344 HA ARG 48 HA ARG 48 22.005 1.395 -4.155
345 HB2 ARG 48 2HB ARG 48 23.610 2.728 -2.339
346 HB3 ARG 48 3HB ARG 48 24.683 1.499 -2.994
347 HG2 ARG 48 2HG ARG 48 24.940 3.462 -4.306
348 HG3 ARG 48 3HG ARG 48 24.062 2.282 -5.280
349 HD2 ARG 48 2HD ARG 48 22.512 3.839 -5.620
350 HD3 ARG 48 3HD ARG 48 22.091 3.698 -3.914
351 HE ARG 48 HE ARG 48 24.211 5.432 -3.983
352 HH11 ARG 48 1HH1 ARG 48 21.047 5.306 -5.430
353 HH12 ARG 48 2HH1 ARG 48 20.863 7.027 -5.491
354 HH21 ARG 48 1HH2 ARG 48 23.980 7.700 -4.057
355 HH22 ARG 48 2HH2 ARG 48 22.533 8.388 -4.710
356 H ASN 49 H ASN 49 23.056 -0.671 -1.556
357 HA ASN 49 HA ASN 49 24.468 -2.490 -3.309
358 HB2 ASN 49 2HB ASN 49 23.869 -2.440 -0.363
359 HB3 ASN 49 3HB ASN 49 24.499 -3.896 -1.128
360 HD21 ASN 49 1HD2 ASN 49 25.463 -1.537 0.715
361 HD22 ASN 49 2HD2 ASN 49 27.057 -1.244 0.114
362 H GLY 50 H GLY 50 21.278 -2.085 -2.064
363 HA2 GLY 50 2HA GLY 50 19.352 -3.181 -2.773
364 HA3 GLY 50 3HA GLY 50 20.359 -4.341 -3.628
365 H GLU 51 H GLU 51 21.065 -3.699 -0.311
366 HA GLU 51 HA GLU 51 20.523 -6.437 0.380
367 HB2 GLU 51 2HB GLU 51 21.688 -4.077 1.810
368 HB3 GLU 51 3HB GLU 51 21.189 -5.489 2.730
369 HG2 GLU 51 2HG GLU 51 23.199 -5.450 0.491
370 HG3 GLU 51 3HG GLU 51 23.555 -5.576 2.213
371 H ASP 52 H ASP 52 18.666 -7.209 1.112
372 HA ASP 52 HA ASP 52 16.436 -5.520 1.647
373 HB2 ASP 52 2HB ASP 52 16.935 -8.472 1.757
374 HB3 ASP 52 3HB ASP 52 15.470 -7.814 2.481
375 H TYR 53 H TYR 53 16.664 -4.223 3.398
376 HA TYR 53 HA TYR 53 17.721 -5.218 5.890
377 HB2 TYR 53 2HB TYR 53 18.262 -2.966 5.458
378 HB3 TYR 53 3HB TYR 53 16.612 -2.568 4.992
379 HD1 TYR 53 HD2 TYR 53 14.907 -2.152 6.680
380 HD2 TYR 53 HD1 TYR 53 18.908 -3.077 7.794
381 HE1 TYR 53 HE2 TYR 53 14.445 -1.368 8.965
382 HE2 TYR 53 HE1 TYR 53 18.457 -2.296 10.082
383 HH TYR 53 HH TYR 53 16.988 -1.319 11.439
384 H ILE 54 H ILE 54 16.599 -5.469 7.827
385 HA ILE 54 HA ILE 54 13.662 -5.510 7.624
386 HB ILE 54 HB ILE 54 15.393 -7.622 8.914
387 HG12 ILE 54 2HG1 ILE 54 13.510 -7.724 6.547
388 HG13 ILE 54 3HG1 ILE 54 15.266 -7.829 6.482
389 HG21 ILE 54 1HG2 ILE 54 12.390 -7.363 8.836
390 HG22 ILE 54 2HG2 ILE 54 13.282 -8.754 9.450
391 HG23 ILE 54 3HG2 ILE 54 13.417 -7.193 10.259
392 HD11 ILE 54 3HD1 ILE 54 14.259 -10.013 6.232
393 HD12 ILE 54 1HD1 ILE 54 15.177 -9.926 7.735
394 HD13 ILE 54 2HD1 ILE 54 13.417 -9.822 7.769
395 H CYS 55 H CYS 55 12.926 -4.021 8.984
396 HA CYS 55 HA CYS 55 14.239 -2.734 11.003
397 HB2 CYS 55 2HB CYS 55 12.011 -2.177 11.935
398 HB3 CYS 55 3HB CYS 55 12.082 -1.976 10.188
399 HA PRO 56 HA PRO 56 14.708 -5.435 14.427
400 HB2 PRO 56 2HB PRO 56 14.348 -3.740 16.517
401 HB3 PRO 56 3HB PRO 56 15.790 -3.712 15.496
402 HG2 PRO 56 2HG PRO 56 13.367 -1.957 15.400
403 HG3 PRO 56 3HG PRO 56 15.077 -1.512 15.251
404 HD2 PRO 56 2HD PRO 56 13.445 -1.766 13.105
405 HD3 PRO 56 3HD PRO 56 15.178 -2.146 13.037
406 H ASN 57 H ASN 57 11.742 -3.981 13.732
407 HA ASN 57 HA ASN 57 10.299 -5.016 16.009
408 HB2 ASN 57 2HB ASN 57 9.818 -3.044 14.077
409 HB3 ASN 57 3HB ASN 57 8.622 -4.297 13.761
410 HD21 ASN 57 1HD2 ASN 57 7.976 -1.738 14.642
411 HD22 ASN 57 2HD2 ASN 57 7.304 -1.854 16.229
412 H CYS 58 H CYS 58 10.691 -5.831 12.591
413 HA CYS 58 HA CYS 58 8.883 -8.055 12.712
414 HB2 CYS 58 2HB CYS 58 10.861 -7.109 10.641
415 HB3 CYS 58 3HB CYS 58 9.915 -8.579 10.438
416 H THR 59 H THR 59 12.401 -7.655 12.690
417 HA THR 59 HA THR 59 13.217 -10.279 12.526
418 HB THR 59 HB THR 59 14.714 -8.255 12.613
419 HG1 THR 59 HG1 THR 59 16.375 -9.459 13.802
420 HG21 THR 59 3HG2 THR 59 13.640 -7.411 14.767
421 HG22 THR 59 1HG2 THR 59 15.398 -7.329 14.672
422 HG23 THR 59 2HG2 THR 59 14.623 -8.614 15.599
423 H ILE 60 H ILE 60 11.775 -8.608 15.227
424 HA ILE 60 HA ILE 60 12.173 -10.971 16.929
425 HB ILE 60 HB ILE 60 11.576 -9.565 18.821
426 HG12 ILE 60 2HG1 ILE 60 11.570 -6.974 18.101
427 HG13 ILE 60 3HG1 ILE 60 10.843 -7.668 16.656
428 HG21 ILE 60 1HG2 ILE 60 13.927 -9.632 17.791
429 HG22 ILE 60 2HG2 ILE 60 13.578 -7.996 17.235
430 HG23 ILE 60 3HG2 ILE 60 13.570 -8.362 18.961
431 HD11 ILE 60 3HD1 ILE 60 9.532 -8.858 18.823
432 HD12 ILE 60 1HD1 ILE 60 9.667 -7.143 19.209
433 HD13 ILE 60 2HD1 ILE 60 8.900 -7.651 17.704
434 H LEU 61 H LEU 61 9.829 -9.239 15.139
435 HA LEU 61 HA LEU 61 7.469 -9.687 16.493
436 HB2 LEU 61 2HB LEU 61 7.431 -8.373 14.528
437 HB3 LEU 61 3HB LEU 61 8.089 -9.685 13.552
438 HG LEU 61 HG LEU 61 5.546 -10.400 14.752
439 HD11 LEU 61 1HD1 LEU 61 5.711 -7.904 13.089
440 HD12 LEU 61 2HD1 LEU 61 4.903 -8.141 14.638
441 HD13 LEU 61 3HD1 LEU 61 4.251 -8.889 13.181
442 HD21 LEU 61 3HD2 LEU 61 6.207 -10.117 11.839
443 HD22 LEU 61 1HD2 LEU 61 5.104 -11.251 12.620
444 HD23 LEU 61 2HD2 LEU 61 6.847 -11.443 12.811
Start of MODEL 20
1 H1 GLY 1 H GLY 1 1.932 0.119 -1.419
2 HA2 GLY 1 2HA GLY 1 3.357 -0.379 -3.662
3 HA3 GLY 1 3HA GLY 1 2.358 0.985 -4.145
4 H SER 2 H SER 2 3.402 2.844 -4.023
5 HA SER 2 HA SER 2 5.768 3.134 -2.419
6 HB2 SER 2 2HB SER 2 4.632 4.440 -4.681
7 HB3 SER 2 3HB SER 2 4.888 5.656 -3.429
8 HG SER 2 HG SER 2 6.961 5.487 -3.719
9 H MET 3 H MET 3 6.098 4.848 -0.858
10 HA MET 3 HA MET 3 3.852 5.059 0.952
11 HB2 MET 3 2HB MET 3 5.418 5.897 2.552
12 HB3 MET 3 3HB MET 3 6.191 4.560 1.711
13 HG2 MET 3 2HG MET 3 7.907 5.889 1.307
14 HG3 MET 3 3HG MET 3 6.865 6.836 0.249
15 HE1 MET 3 3HE MET 3 9.217 7.775 3.545
16 HE2 MET 3 1HE MET 3 7.856 7.327 4.574
17 HE3 MET 3 2HE MET 3 8.475 6.182 3.384
18 H ASP 4 H ASP 4 3.492 7.218 2.064
19 HA ASP 4 HA ASP 4 3.664 9.431 0.131
20 HB2 ASP 4 2HB ASP 4 1.293 8.150 1.179
21 HB3 ASP 4 3HB ASP 4 1.331 9.851 1.633
22 HA PRO 5 HA PRO 5 5.136 11.965 3.393
23 HB2 PRO 5 2HB PRO 5 3.935 14.345 2.877
24 HB3 PRO 5 3HB PRO 5 5.240 13.691 1.880
25 HG2 PRO 5 2HG PRO 5 2.284 13.630 1.409
26 HG3 PRO 5 3HG PRO 5 3.593 13.968 0.261
27 HD2 PRO 5 2HD PRO 5 2.364 11.559 0.401
28 HD3 PRO 5 3HD PRO 5 4.074 11.734 -0.041
29 H ASN 6 H ASN 6 1.630 12.089 2.895
30 HA ASN 6 HA ASN 6 1.225 12.867 5.682
31 HB2 ASN 6 2HB ASN 6 -0.909 12.409 3.596
32 HB3 ASN 6 3HB ASN 6 -1.041 13.325 5.095
33 HD21 ASN 6 1HD2 ASN 6 -0.798 13.617 1.865
34 HD22 ASN 6 2HD2 ASN 6 -0.087 15.188 1.755
35 H ALA 7 H ALA 7 2.311 10.297 5.238
36 HA ALA 7 HA ALA 7 0.078 8.599 6.144
37 HB1 ALA 7 1HB ALA 7 2.469 7.738 4.518
38 HB2 ALA 7 2HB ALA 7 1.191 6.681 5.119
39 HB3 ALA 7 3HB ALA 7 0.820 7.920 3.920
40 H LEU 8 H LEU 8 0.961 6.611 7.363
41 HA LEU 8 HA LEU 8 3.262 7.355 9.032
42 HB2 LEU 8 2HB LEU 8 0.608 6.331 10.031
43 HB3 LEU 8 3HB LEU 8 2.049 6.556 11.021
44 HG LEU 8 HG LEU 8 0.463 8.730 9.655
45 HD11 LEU 8 1HD1 LEU 8 0.430 7.537 12.345
46 HD12 LEU 8 2HD1 LEU 8 -0.836 8.388 11.461
47 HD13 LEU 8 3HD1 LEU 8 0.427 9.300 12.288
48 HD21 LEU 8 3HD2 LEU 8 2.235 9.769 11.576
49 HD22 LEU 8 1HD2 LEU 8 2.274 9.998 9.828
50 HD23 LEU 8 2HD2 LEU 8 3.177 8.673 10.564
51 H TYR 9 H TYR 9 4.527 5.674 9.739
52 HA TYR 9 HA TYR 9 3.671 2.935 9.214
53 HB2 TYR 9 2HB TYR 9 6.349 3.847 8.188
54 HB3 TYR 9 3HB TYR 9 5.475 2.367 7.809
55 HD1 TYR 9 HD2 TYR 9 3.521 2.442 6.287
56 HD2 TYR 9 HD1 TYR 9 5.943 5.870 6.983
57 HE1 TYR 9 HE2 TYR 9 2.585 3.505 4.276
58 HE2 TYR 9 HE1 TYR 9 5.012 6.943 4.975
59 HH TYR 9 HH TYR 9 2.655 5.260 2.919
60 H CYS 10 H CYS 10 6.500 4.880 10.182
61 HA CYS 10 HA CYS 10 7.794 3.051 11.766
62 HB2 CYS 10 2HB CYS 10 8.606 5.350 11.190
63 HB3 CYS 10 3HB CYS 10 7.520 5.990 12.417
64 H ILE 11 H ILE 11 7.885 2.759 14.078
65 HA ILE 11 HA ILE 11 5.450 2.121 15.242
66 HB ILE 11 HB ILE 11 6.702 2.053 17.415
67 HG12 ILE 11 2HG1 ILE 11 8.983 2.991 15.661
68 HG13 ILE 11 3HG1 ILE 11 8.265 3.882 16.998
69 HG21 ILE 11 1HG2 ILE 11 6.794 0.369 15.273
70 HG22 ILE 11 2HG2 ILE 11 8.506 0.631 15.601
71 HG23 ILE 11 3HG2 ILE 11 7.450 0.011 16.870
72 HD11 ILE 11 3HD1 ILE 11 9.063 2.223 18.566
73 HD12 ILE 11 1HD1 ILE 11 9.722 1.262 17.242
74 HD13 ILE 11 2HD1 ILE 11 10.398 2.851 17.599
75 H CYS 12 H CYS 12 7.335 5.086 15.450
76 HA CYS 12 HA CYS 12 5.717 6.279 17.481
77 HB2 CYS 12 2HB CYS 12 6.957 8.329 16.979
78 HB3 CYS 12 3HB CYS 12 8.051 6.958 17.123
79 H ARG 13 H ARG 13 5.290 5.746 14.171
80 HA ARG 13 HA ARG 13 3.711 6.393 12.668
81 HB2 ARG 13 2HB ARG 13 2.441 6.927 15.297
82 HB3 ARG 13 3HB ARG 13 1.691 7.669 13.891
83 HG2 ARG 13 2HG ARG 13 0.558 5.667 14.085
84 HG3 ARG 13 3HG ARG 13 1.788 5.302 12.872
85 HD2 ARG 13 2HD ARG 13 3.122 4.138 14.438
86 HD3 ARG 13 3HD ARG 13 2.193 4.759 15.801
87 HE ARG 13 HE ARG 13 0.597 3.207 14.011
88 HH11 ARG 13 1HH1 ARG 13 2.866 3.023 16.644
89 HH12 ARG 13 2HH1 ARG 13 2.299 1.483 17.198
90 HH21 ARG 13 1HH2 ARG 13 -0.159 1.178 14.730
91 HH22 ARG 13 2HH2 ARG 13 0.579 0.434 16.107
92 H GLN 14 H GLN 14 5.516 7.920 12.069
93 HA GLN 14 HA GLN 14 4.456 10.651 12.079
94 HB2 GLN 14 2HB GLN 14 7.090 9.752 13.115
95 HB3 GLN 14 3HB GLN 14 7.068 11.238 12.175
96 HG2 GLN 14 2HG GLN 14 4.963 11.576 13.905
97 HG3 GLN 14 3HG GLN 14 6.155 10.725 14.886
98 HE21 GLN 14 1HE2 GLN 14 8.497 11.708 13.870
99 HE22 GLN 14 2HE2 GLN 14 8.612 13.399 14.203
100 HA PRO 15 HA PRO 15 5.404 10.673 7.797
101 HB2 PRO 15 2HB PRO 15 6.089 13.268 7.391
102 HB3 PRO 15 3HB PRO 15 4.428 12.751 7.701
103 HG2 PRO 15 2HG PRO 15 6.431 13.923 9.592
104 HG3 PRO 15 3HG PRO 15 4.703 14.286 9.426
105 HD2 PRO 15 2HD PRO 15 5.672 12.667 11.368
106 HD3 PRO 15 3HD PRO 15 4.069 12.433 10.641
107 H HIS 16 H HIS 16 7.087 10.579 6.315
108 HA HIS 16 HA HIS 16 9.716 10.282 7.438
109 HB2 HIS 16 2HB HIS 16 10.339 9.336 5.378
110 HB3 HIS 16 3HB HIS 16 8.653 8.865 5.573
111 HD1 HIS 16 HD1 HIS 16 10.734 9.821 2.995
112 HD2 HIS 16 HD2 HIS 16 7.029 11.218 4.253
113 HE1 HIS 16 HE1 HIS 16 9.741 10.982 0.998
114 H ASN 17 H ASN 17 7.994 12.896 6.312
115 HA ASN 17 HA ASN 17 9.996 14.312 4.884
116 HB2 ASN 17 2HB ASN 17 8.487 16.055 4.787
117 HB3 ASN 17 3HB ASN 17 7.395 14.707 5.087
118 HD21 ASN 17 1HD2 ASN 17 7.702 14.259 7.738
119 HD22 ASN 17 2HD2 ASN 17 7.179 15.636 8.641
120 H ASN 18 H ASN 18 9.705 13.516 8.138
121 HA ASN 18 HA ASN 18 10.884 15.861 9.277
122 HB2 ASN 18 2HB ASN 18 10.107 13.160 10.240
123 HB3 ASN 18 3HB ASN 18 11.347 14.005 11.162
124 HD21 ASN 18 1HD2 ASN 18 8.345 13.313 11.447
125 HD22 ASN 18 2HD2 ASN 18 7.669 14.784 12.051
126 H ARG 19 H ARG 19 12.234 12.604 9.583
127 HA ARG 19 HA ARG 19 14.839 13.681 8.725
128 HB2 ARG 19 2HB ARG 19 14.421 11.568 10.843
129 HB3 ARG 19 3HB ARG 19 15.940 12.331 10.390
130 HG2 ARG 19 2HG ARG 19 15.609 13.804 12.006
131 HG3 ARG 19 3HG ARG 19 14.232 14.428 11.094
132 HD2 ARG 19 2HD ARG 19 13.314 13.924 13.170
133 HD3 ARG 19 3HD ARG 19 12.913 12.510 12.195
134 HE ARG 19 HE ARG 19 15.312 11.923 13.409
135 HH11 ARG 19 1HH1 ARG 19 12.094 12.754 14.444
136 HH12 ARG 19 2HH1 ARG 19 12.197 11.857 15.923
137 HH21 ARG 19 1HH2 ARG 19 15.460 10.738 15.352
138 HH22 ARG 19 2HH2 ARG 19 14.113 10.712 16.439
139 H PHE 20 H PHE 20 16.325 11.408 8.699
140 HA PHE 20 HA PHE 20 15.601 10.215 6.259
141 HB2 PHE 20 2HB PHE 20 17.912 10.275 6.824
142 HB3 PHE 20 3HB PHE 20 17.630 9.460 8.358
143 HD1 PHE 20 HD1 PHE 20 17.248 7.062 8.443
144 HD2 PHE 20 HD2 PHE 20 18.038 9.048 4.762
145 HE1 PHE 20 HE1 PHE 20 17.721 4.895 7.379
146 HE2 PHE 20 HE2 PHE 20 18.511 6.883 3.692
147 HZ PHE 20 HZ PHE 20 18.352 4.803 5.000
148 H MET 21 H MET 21 14.866 8.140 5.760
149 HA MET 21 HA MET 21 13.839 6.510 7.965
150 HB2 MET 21 2HB MET 21 12.230 7.695 5.726
151 HB3 MET 21 3HB MET 21 11.741 6.176 6.465
152 HG2 MET 21 2HG MET 21 12.069 7.622 8.678
153 HG3 MET 21 3HG MET 21 11.689 8.922 7.551
154 HE1 MET 21 3HE MET 21 9.025 5.277 8.347
155 HE2 MET 21 1HE MET 21 10.786 5.315 8.244
156 HE3 MET 21 2HE MET 21 9.974 5.926 9.685
157 H ILE 22 H ILE 22 13.624 4.308 7.496
158 HA ILE 22 HA ILE 22 14.983 3.467 5.023
159 HB ILE 22 HB ILE 22 16.078 2.873 7.203
160 HG12 ILE 22 2HG1 ILE 22 15.203 0.394 5.734
161 HG13 ILE 22 3HG1 ILE 22 16.254 1.586 4.978
162 HG21 ILE 22 1HG2 ILE 22 14.961 1.879 8.846
163 HG22 ILE 22 2HG2 ILE 22 13.490 2.093 7.899
164 HG23 ILE 22 3HG2 ILE 22 14.411 0.595 7.768
165 HD11 ILE 22 3HD1 ILE 22 16.846 0.103 7.528
166 HD12 ILE 22 1HD1 ILE 22 17.508 -0.274 5.938
167 HD13 ILE 22 2HD1 ILE 22 17.908 1.256 6.720
168 H CYS 23 H CYS 23 14.243 1.547 3.960
169 HA CYS 23 HA CYS 23 11.350 1.145 4.283
170 HB2 CYS 23 2HB CYS 23 11.926 1.937 2.085
171 HB3 CYS 23 3HB CYS 23 13.175 0.709 1.914
172 HG CYS 23 HG CYS 23 10.101 -0.517 2.449
173 H CYS 24 H CYS 24 10.609 -0.731 5.020
174 HA CYS 24 HA CYS 24 12.487 -2.977 5.245
175 HB2 CYS 24 2HB CYS 24 11.579 -2.295 7.369
176 HB3 CYS 24 3HB CYS 24 9.937 -2.342 6.738
177 H ASP 25 H ASP 25 12.279 -4.616 3.886
178 HA ASP 25 HA ASP 25 10.006 -4.829 2.143
179 HB2 ASP 25 2HB ASP 25 12.651 -6.148 2.401
180 HB3 ASP 25 3HB ASP 25 11.376 -7.090 1.632
181 H ARG 26 H ARG 26 11.012 -6.268 5.121
182 HA ARG 26 HA ARG 26 9.676 -8.695 5.094
183 HB2 ARG 26 2HB ARG 26 11.168 -7.436 6.922
184 HB3 ARG 26 3HB ARG 26 9.582 -7.103 7.603
185 HG2 ARG 26 2HG ARG 26 10.534 -9.866 6.895
186 HG3 ARG 26 3HG ARG 26 10.724 -9.142 8.493
187 HD2 ARG 26 2HD ARG 26 8.146 -8.711 8.253
188 HD3 ARG 26 3HD ARG 26 8.249 -10.028 7.085
189 HE ARG 26 HE ARG 26 9.539 -10.747 9.496
190 HH11 ARG 26 1HH1 ARG 26 6.377 -10.281 8.117
191 HH12 ARG 26 2HH1 ARG 26 5.603 -11.406 9.182
192 HH21 ARG 26 1HH2 ARG 26 8.532 -12.231 10.905
193 HH22 ARG 26 2HH2 ARG 26 6.830 -12.514 10.769
194 H CYS 27 H CYS 27 8.427 -5.735 6.650
195 HA CYS 27 HA CYS 27 5.713 -6.770 6.329
196 HB2 CYS 27 2HB CYS 27 5.089 -4.883 7.842
197 HB3 CYS 27 3HB CYS 27 6.245 -6.004 8.550
198 H GLU 28 H GLU 28 7.831 -4.798 4.691
199 HA GLU 28 HA GLU 28 7.596 -3.414 2.898
200 HB2 GLU 28 2HB GLU 28 5.676 -5.151 2.471
201 HB3 GLU 28 3HB GLU 28 4.628 -3.804 2.893
202 HG2 GLU 28 2HG GLU 28 5.140 -2.627 1.013
203 HG3 GLU 28 3HG GLU 28 6.748 -3.337 0.872
204 H GLU 29 H GLU 29 7.839 -2.129 5.208
205 HA GLU 29 HA GLU 29 6.057 0.174 4.874
206 HB2 GLU 29 2HB GLU 29 6.030 -1.591 7.111
207 HB3 GLU 29 3HB GLU 29 6.696 -0.053 7.643
208 HG2 GLU 29 2HG GLU 29 4.584 0.581 7.910
209 HG3 GLU 29 3HG GLU 29 4.537 0.727 6.154
210 H TRP 30 H TRP 30 7.036 1.830 6.786
211 HA TRP 30 HA TRP 30 9.899 2.046 6.120
212 HB2 TRP 30 2HB TRP 30 7.766 4.168 6.234
213 HB3 TRP 30 3HB TRP 30 9.474 4.572 6.383
214 HD1 TRP 30 HD1 TRP 30 6.897 3.346 3.843
215 HE1 TRP 30 HE1 TRP 30 7.896 3.567 1.481
216 HE3 TRP 30 HE3 TRP 30 11.691 4.594 5.103
217 HZ2 TRP 30 HZ2 TRP 30 10.387 4.188 0.308
218 HZ3 TRP 30 HZ3 TRP 30 13.321 4.984 3.301
219 HH2 TRP 30 HH2 TRP 30 12.680 4.784 0.954
220 H PHE 31 H PHE 31 11.274 2.958 7.702
221 HA PHE 31 HA PHE 31 10.174 3.421 10.360
222 HB2 PHE 31 2HB PHE 31 12.266 1.309 9.794
223 HB3 PHE 31 3HB PHE 31 11.804 1.862 11.401
224 HD1 PHE 31 HD2 PHE 31 10.696 0.012 8.427
225 HD2 PHE 31 HD1 PHE 31 9.784 1.129 12.431
226 HE1 PHE 31 HE2 PHE 31 8.899 -1.667 8.482
227 HE2 PHE 31 HE1 PHE 31 7.985 -0.549 12.493
228 HZ PHE 31 HZ PHE 31 7.540 -1.949 10.516
229 H HIS 32 H HIS 32 11.197 5.032 11.371
230 HA HIS 32 HA HIS 32 13.129 6.597 10.106
231 HB2 HIS 32 2HB HIS 32 12.187 6.438 12.960
232 HB3 HIS 32 3HB HIS 32 13.450 7.566 12.476
233 HD2 HIS 32 HD2 HIS 32 12.450 9.272 10.194
234 HE1 HIS 32 HE1 HIS 32 8.545 9.224 11.853
235 HE2 HIS 32 HE2 HIS 32 10.073 10.291 10.158
236 H GLY 33 H GLY 33 15.283 6.503 9.968
237 HA2 GLY 33 2HA GLY 33 16.762 4.261 10.623
238 HA3 GLY 33 3HA GLY 33 17.456 5.849 10.330
239 H ASP 34 H ASP 34 15.943 6.980 12.636
240 HA ASP 34 HA ASP 34 17.938 6.458 14.628
241 HB2 ASP 34 2HB ASP 34 15.703 8.355 14.265
242 HB3 ASP 34 3HB ASP 34 16.084 7.949 15.936
243 H CYS 35 H CYS 35 14.394 6.063 14.562
244 HA CYS 35 HA CYS 35 14.083 4.806 17.006
245 HB2 CYS 35 2HB CYS 35 12.521 4.318 14.461
246 HB3 CYS 35 3HB CYS 35 11.997 3.860 16.076
247 H VAL 36 H VAL 36 14.982 3.431 13.887
248 HA VAL 36 HA VAL 36 15.001 0.727 14.921
249 HB VAL 36 HB VAL 36 15.924 0.142 12.674
250 HG11 VAL 36 1HG1 VAL 36 13.860 0.494 11.486
251 HG12 VAL 36 2HG1 VAL 36 13.496 0.167 13.181
252 HG13 VAL 36 3HG1 VAL 36 13.420 1.817 12.564
253 HG21 VAL 36 3HG2 VAL 36 16.884 1.726 11.446
254 HG22 VAL 36 1HG2 VAL 36 15.305 2.486 11.245
255 HG23 VAL 36 2HG2 VAL 36 16.354 2.971 12.577
256 H GLY 37 H GLY 37 17.262 3.320 14.384
257 HA2 GLY 37 2HA GLY 37 19.304 3.372 15.662
258 HA3 GLY 37 3HA GLY 37 19.378 1.621 15.531
259 H ILE 38 H ILE 38 18.518 2.111 12.588
260 HA ILE 38 HA ILE 38 21.039 1.769 11.435
261 HB ILE 38 HB ILE 38 18.468 2.706 10.160
262 HG12 ILE 38 2HG1 ILE 38 18.405 0.459 11.202
263 HG13 ILE 38 3HG1 ILE 38 18.234 0.390 9.452
264 HG21 ILE 38 1HG2 ILE 38 21.167 2.266 9.055
265 HG22 ILE 38 2HG2 ILE 38 19.830 1.571 8.140
266 HG23 ILE 38 3HG2 ILE 38 19.859 3.301 8.483
267 HD11 ILE 38 3HD1 ILE 38 20.102 -0.943 11.102
268 HD12 ILE 38 1HD1 ILE 38 19.921 -1.027 9.350
269 HD13 ILE 38 2HD1 ILE 38 20.990 0.178 10.069
270 H SER 39 H SER 39 22.468 3.118 10.423
271 HA SER 39 HA SER 39 22.204 5.953 11.065
272 HB2 SER 39 2HB SER 39 24.633 4.772 9.764
273 HB3 SER 39 3HB SER 39 24.519 6.106 10.912
274 HG SER 39 HG SER 39 25.141 4.571 12.240
275 H GLU 40 H GLU 40 22.462 7.604 9.526
276 HA GLU 40 HA GLU 40 21.103 7.322 7.140
277 HB2 GLU 40 2HB GLU 40 21.443 9.503 8.070
278 HB3 GLU 40 3HB GLU 40 23.190 9.343 7.956
279 HG2 GLU 40 2HG GLU 40 23.197 9.644 5.656
280 HG3 GLU 40 3HG GLU 40 21.487 9.246 5.502
281 H ALA 41 H ALA 41 24.519 6.884 7.806
282 HA ALA 41 HA ALA 41 25.292 6.676 5.054
283 HB1 ALA 41 1HB ALA 41 26.655 7.114 7.365
284 HB2 ALA 41 2HB ALA 41 27.049 5.425 7.039
285 HB3 ALA 41 3HB ALA 41 27.397 6.661 5.830
286 H ARG 42 H ARG 42 24.283 4.450 7.560
287 HA ARG 42 HA ARG 42 25.078 2.081 6.169
288 HB2 ARG 42 2HB ARG 42 23.168 2.508 8.472
289 HB3 ARG 42 3HB ARG 42 23.645 0.928 7.865
290 HG2 ARG 42 2HG ARG 42 25.781 2.834 8.658
291 HG3 ARG 42 3HG ARG 42 24.846 2.038 9.925
292 HD2 ARG 42 2HD ARG 42 25.827 0.056 9.561
293 HD3 ARG 42 3HD ARG 42 25.733 0.231 7.809
294 HE ARG 42 HE ARG 42 27.897 0.952 7.816
295 HH11 ARG 42 1HH1 ARG 42 26.599 1.282 11.029
296 HH12 ARG 42 2HH1 ARG 42 28.113 1.745 11.734
297 HH21 ARG 42 1HH2 ARG 42 29.895 1.561 8.732
298 HH22 ARG 42 2HH2 ARG 42 29.987 1.904 10.426
299 H GLY 43 H GLY 43 21.933 3.659 6.744
300 HA2 GLY 43 2HA GLY 43 20.342 1.881 5.303
301 HA3 GLY 43 3HA GLY 43 19.968 3.579 5.562
302 H ARG 44 H ARG 44 22.397 4.477 4.168
303 HA ARG 44 HA ARG 44 21.296 4.508 1.517
304 HB2 ARG 44 2HB ARG 44 22.590 6.381 2.802
305 HB3 ARG 44 3HB ARG 44 24.020 5.560 2.191
306 HG2 ARG 44 2HG ARG 44 23.811 6.698 0.307
307 HG3 ARG 44 3HG ARG 44 22.296 5.848 -0.001
308 HD2 ARG 44 2HD ARG 44 21.302 7.645 1.616
309 HD3 ARG 44 3HD ARG 44 22.754 8.549 1.187
310 HE ARG 44 HE ARG 44 20.455 8.135 -0.442
311 HH11 ARG 44 1HH1 ARG 44 23.913 8.529 -0.541
312 HH12 ARG 44 2HH1 ARG 44 23.925 9.168 -2.151
313 HH21 ARG 44 1HH2 ARG 44 20.458 8.975 -2.563
314 HH22 ARG 44 2HH2 ARG 44 21.959 9.423 -3.300
315 H LEU 45 H LEU 45 23.819 2.786 3.173
316 HA LEU 45 HA LEU 45 25.215 1.905 0.847
317 HB2 LEU 45 2HB LEU 45 25.604 1.794 3.603
318 HB3 LEU 45 3HB LEU 45 25.433 0.112 3.105
319 HG LEU 45 HG LEU 45 27.755 0.636 3.121
320 HD11 LEU 45 1HD1 LEU 45 28.294 -0.231 1.098
321 HD12 LEU 45 2HD1 LEU 45 27.274 0.902 0.213
322 HD13 LEU 45 3HD1 LEU 45 26.550 -0.484 1.027
323 HD21 LEU 45 3HD2 LEU 45 28.606 2.474 1.586
324 HD22 LEU 45 1HD2 LEU 45 27.818 2.986 3.078
325 HD23 LEU 45 2HD2 LEU 45 26.944 3.065 1.548
326 H LEU 46 H LEU 46 22.727 0.475 2.927
327 HA LEU 46 HA LEU 46 22.618 -2.048 1.721
328 HB2 LEU 46 2HB LEU 46 20.342 -0.517 2.970
329 HB3 LEU 46 3HB LEU 46 20.419 -2.260 2.720
330 HG LEU 46 HG LEU 46 22.132 -0.648 4.611
331 HD11 LEU 46 1HD1 LEU 46 19.540 -1.495 4.938
332 HD12 LEU 46 2HD1 LEU 46 20.681 -1.132 6.232
333 HD13 LEU 46 3HD1 LEU 46 20.479 -2.793 5.676
334 HD21 LEU 46 3HD2 LEU 46 23.585 -2.329 4.310
335 HD22 LEU 46 1HD2 LEU 46 22.387 -3.354 3.518
336 HD23 LEU 46 2HD2 LEU 46 22.449 -3.270 5.279
337 H GLU 47 H GLU 47 21.388 1.028 0.701
338 HA GLU 47 HA GLU 47 19.454 0.060 -1.148
339 HB2 GLU 47 2HB GLU 47 20.705 2.666 -0.511
340 HB3 GLU 47 3HB GLU 47 20.079 2.492 -2.145
341 HG2 GLU 47 2HG GLU 47 17.906 1.759 -1.122
342 HG3 GLU 47 3HG GLU 47 18.568 2.241 0.439
343 H ARG 48 H ARG 48 22.848 1.022 -1.421
344 HA ARG 48 HA ARG 48 22.943 0.594 -4.257
345 HB2 ARG 48 2HB ARG 48 24.649 1.714 -2.248
346 HB3 ARG 48 3HB ARG 48 25.556 0.514 -3.158
347 HG2 ARG 48 2HG ARG 48 25.844 2.683 -4.157
348 HG3 ARG 48 3HG ARG 48 24.917 1.649 -5.246
349 HD2 ARG 48 2HD ARG 48 22.856 2.710 -4.557
350 HD3 ARG 48 3HD ARG 48 23.721 3.675 -3.361
351 HE ARG 48 HE ARG 48 24.763 4.102 -5.967
352 HH11 ARG 48 1HH1 ARG 48 22.080 4.894 -3.894
353 HH12 ARG 48 2HH1 ARG 48 21.746 6.400 -4.684
354 HH21 ARG 48 1HH2 ARG 48 24.332 6.082 -7.015
355 HH22 ARG 48 2HH2 ARG 48 23.026 7.074 -6.460
356 H ASN 49 H ASN 49 23.592 -1.295 -1.393
357 HA ASN 49 HA ASN 49 24.915 -3.414 -2.844
358 HB2 ASN 49 2HB ASN 49 24.338 -2.780 -0.025
359 HB3 ASN 49 3HB ASN 49 24.301 -4.498 -0.413
360 HD21 ASN 49 1HD2 ASN 49 26.202 -2.433 0.953
361 HD22 ASN 49 2HD2 ASN 49 27.753 -2.918 0.367
362 H GLY 50 H GLY 50 21.695 -2.571 -1.943
363 HA2 GLY 50 2HA GLY 50 19.697 -3.534 -2.578
364 HA3 GLY 50 3HA GLY 50 20.614 -4.744 -3.464
365 H GLU 51 H GLU 51 21.131 -4.137 -0.063
366 HA GLU 51 HA GLU 51 20.386 -6.886 0.515
367 HB2 GLU 51 2HB GLU 51 21.883 -4.742 1.963
368 HB3 GLU 51 3HB GLU 51 21.182 -6.061 2.890
369 HG2 GLU 51 2HG GLU 51 22.818 -6.746 0.513
370 HG3 GLU 51 3HG GLU 51 23.645 -6.162 1.956
371 H ASP 52 H ASP 52 18.242 -7.164 0.707
372 HA ASP 52 HA ASP 52 16.331 -5.335 1.482
373 HB2 ASP 52 2HB ASP 52 15.057 -7.479 2.267
374 HB3 ASP 52 3HB ASP 52 15.448 -7.273 0.562
375 H TYR 53 H TYR 53 16.548 -4.107 3.258
376 HA TYR 53 HA TYR 53 17.579 -5.147 5.730
377 HB2 TYR 53 2HB TYR 53 18.113 -2.888 5.329
378 HB3 TYR 53 3HB TYR 53 16.460 -2.485 4.881
379 HD1 TYR 53 HD2 TYR 53 14.766 -2.100 6.589
380 HD2 TYR 53 HD1 TYR 53 18.777 -3.034 7.658
381 HE1 TYR 53 HE2 TYR 53 14.320 -1.353 8.889
382 HE2 TYR 53 HE1 TYR 53 18.342 -2.290 9.962
383 HH TYR 53 HH TYR 53 15.480 -0.594 10.836
384 H ILE 54 H ILE 54 16.472 -5.431 7.670
385 HA ILE 54 HA ILE 54 13.534 -5.474 7.489
386 HB ILE 54 HB ILE 54 15.278 -7.604 8.732
387 HG12 ILE 54 2HG1 ILE 54 13.377 -7.671 6.378
388 HG13 ILE 54 3HG1 ILE 54 15.133 -7.772 6.298
389 HG21 ILE 54 1HG2 ILE 54 13.173 -8.748 9.266
390 HG22 ILE 54 2HG2 ILE 54 13.314 -7.201 10.100
391 HG23 ILE 54 3HG2 ILE 54 12.274 -7.347 8.683
392 HD11 ILE 54 3HD1 ILE 54 15.056 -9.887 7.522
393 HD12 ILE 54 1HD1 ILE 54 13.296 -9.788 7.568
394 HD13 ILE 54 2HD1 ILE 54 14.131 -9.954 6.023
395 H CYS 55 H CYS 55 12.806 -4.009 8.878
396 HA CYS 55 HA CYS 55 14.132 -2.752 10.907
397 HB2 CYS 55 2HB CYS 55 11.911 -2.211 11.863
398 HB3 CYS 55 3HB CYS 55 11.968 -1.983 10.119
399 HA PRO 56 HA PRO 56 14.627 -5.506 14.285
400 HB2 PRO 56 2HB PRO 56 14.281 -3.845 16.404
401 HB3 PRO 56 3HB PRO 56 15.716 -3.800 15.373
402 HG2 PRO 56 2HG PRO 56 13.291 -2.045 15.322
403 HG3 PRO 56 3HG PRO 56 15.000 -1.597 15.168
404 HD2 PRO 56 2HD PRO 56 13.353 -1.818 13.030
405 HD3 PRO 56 3HD PRO 56 15.086 -2.195 12.943
406 H ASN 57 H ASN 57 11.656 -4.047 13.631
407 HA ASN 57 HA ASN 57 10.229 -5.117 15.903
408 HB2 ASN 57 2HB ASN 57 9.733 -3.117 14.002
409 HB3 ASN 57 3HB ASN 57 8.534 -4.367 13.679
410 HD21 ASN 57 1HD2 ASN 57 7.901 -1.817 14.603
411 HD22 ASN 57 2HD2 ASN 57 7.240 -1.956 16.193
412 H CYS 58 H CYS 58 10.594 -5.878 12.468
413 HA CYS 58 HA CYS 58 8.790 -8.106 12.569
414 HB2 CYS 58 2HB CYS 58 10.754 -7.129 10.498
415 HB3 CYS 58 3HB CYS 58 9.804 -8.593 10.279
416 H THR 59 H THR 59 12.307 -7.699 12.534
417 HA THR 59 HA THR 59 13.127 -10.319 12.320
418 HB THR 59 HB THR 59 14.620 -8.293 12.434
419 HG1 THR 59 HG1 THR 59 16.222 -9.569 13.815
420 HG21 THR 59 3HG2 THR 59 15.294 -7.379 14.489
421 HG22 THR 59 1HG2 THR 59 14.587 -8.704 15.412
422 HG23 THR 59 2HG2 THR 59 13.541 -7.518 14.630
423 H ILE 60 H ILE 60 11.692 -8.699 15.054
424 HA ILE 60 HA ILE 60 11.918 -11.197 16.604
425 HB ILE 60 HB ILE 60 11.763 -9.867 18.650
426 HG12 ILE 60 2HG1 ILE 60 12.375 -7.270 17.865
427 HG13 ILE 60 3HG1 ILE 60 11.110 -7.763 16.745
428 HG21 ILE 60 1HG2 ILE 60 13.969 -8.426 17.405
429 HG22 ILE 60 2HG2 ILE 60 13.982 -9.615 18.706
430 HG23 ILE 60 3HG2 ILE 60 13.956 -10.147 17.025
431 HD11 ILE 60 3HD1 ILE 60 9.593 -7.363 18.294
432 HD12 ILE 60 1HD1 ILE 60 10.332 -8.573 19.342
433 HD13 ILE 60 2HD1 ILE 60 10.862 -6.893 19.424
434 H LEU 61 H LEU 61 9.845 -10.212 14.658
435 HA LEU 61 HA LEU 61 7.514 -9.690 16.274
436 HB2 LEU 61 2HB LEU 61 7.514 -8.645 14.169
437 HB3 LEU 61 3HB LEU 61 7.977 -10.130 13.341
438 HG LEU 61 HG LEU 61 5.727 -11.053 13.858
439 HD11 LEU 61 1HD1 LEU 61 5.399 -9.458 15.818
440 HD12 LEU 61 2HD1 LEU 61 4.012 -9.746 14.769
441 HD13 LEU 61 3HD1 LEU 61 4.942 -8.256 14.611
442 HD21 LEU 61 3HD2 LEU 61 4.764 -10.103 12.006
443 HD22 LEU 61 1HD2 LEU 61 6.447 -9.634 11.771
444 HD23 LEU 61 2HD2 LEU 61 5.293 -8.474 12.428