Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
586093 | 2mx4 RC | 19905 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H2 PRO 18 1H PRO 18 0.497 -1.331 -1.512
2 H3 PRO 18 2H PRO 18 -0.194 -1.080 -0.205
3 HA PRO 18 HA PRO 18 1.853 -0.860 1.007
4 HB2 PRO 18 1HB PRO 18 3.848 -1.150 -0.852
5 HB3 PRO 18 2HB PRO 18 2.829 -2.533 -0.427
6 HG2 PRO 18 1HG PRO 18 2.620 -0.673 -2.819
7 HG3 PRO 18 2HG PRO 18 2.518 -2.438 -2.773
8 HD2 PRO 18 1HD PRO 18 0.266 -0.857 -2.849
9 HD3 PRO 18 2HD PRO 18 0.273 -2.422 -2.027
10 H THR 19 H THR 19 3.538 0.509 1.525
11 HA THR 19 HA THR 19 3.276 3.194 0.207
12 HB THR 19 HB THR 19 4.010 2.528 3.090
13 HG1 THR 19 HG1 THR 19 1.978 3.588 3.490
14 HG21 THR 19 3HG2 THR 19 3.625 5.199 1.680
15 HG22 THR 19 1HG2 THR 19 3.932 4.975 3.418
16 HG23 THR 19 2HG2 THR 19 5.179 4.528 2.228
17 H ARG 20 H ARG 20 4.955 4.103 -0.676
18 HA ARG 20 HA ARG 20 7.659 2.959 -0.048
19 HB2 ARG 20 1HB ARG 20 6.991 2.181 -2.178
20 HB3 ARG 20 2HB ARG 20 6.621 3.839 -2.705
21 HG2 ARG 20 1HG ARG 20 8.984 4.446 -2.500
22 HG3 ARG 20 2HG ARG 20 9.366 2.804 -1.930
23 HD2 ARG 20 1HD ARG 20 8.713 1.898 -4.059
24 HD3 ARG 20 2HD ARG 20 8.277 3.525 -4.633
25 HE ARG 20 HE ARG 20 11.089 3.583 -3.993
26 HH11 ARG 20 1HH1 ARG 20 9.003 1.936 -6.249
27 HH12 ARG 20 2HH1 ARG 20 10.313 1.858 -7.412
28 HH21 ARG 20 1HH2 ARG 20 12.601 3.495 -5.310
29 HH22 ARG 20 2HH2 ARG 20 12.365 2.746 -6.877
30 H THR 21 H THR 21 9.161 4.284 0.597
31 HA THR 21 HA THR 21 8.550 7.208 0.539
32 HB THR 21 HB THR 21 10.612 5.646 2.150
33 HG1 THR 21 HG1 THR 21 9.168 6.206 3.887
34 HG21 THR 21 3HG2 THR 21 9.769 8.570 2.266
35 HG22 THR 21 1HG2 THR 21 10.910 7.771 3.373
36 HG23 THR 21 2HG2 THR 21 11.324 7.959 1.652
37 H VAL 22 H VAL 22 9.404 8.434 -0.918
38 HA VAL 22 HA VAL 22 12.172 7.784 -1.916
39 HB VAL 22 HB VAL 22 9.812 8.810 -3.549
40 HG11 VAL 22 1HG1 VAL 22 11.399 8.726 -5.443
41 HG12 VAL 22 2HG1 VAL 22 11.957 9.858 -4.187
42 HG13 VAL 22 3HG1 VAL 22 12.702 8.247 -4.329
43 HG21 VAL 22 3HG2 VAL 22 9.647 6.429 -3.130
44 HG22 VAL 22 1HG2 VAL 22 10.063 6.744 -4.830
45 HG23 VAL 22 2HG2 VAL 22 11.319 6.195 -3.695
46 H ALA 23 H ALA 23 13.602 9.273 -1.752
47 HA ALA 23 HA ALA 23 12.720 11.971 -0.911
48 HB1 ALA 23 3HB ALA 23 15.493 10.746 -1.112
49 HB2 ALA 23 1HB ALA 23 15.112 12.353 -0.452
50 HB3 ALA 23 2HB ALA 23 14.515 10.891 0.368
51 H ILE 24 H ILE 24 13.091 13.839 -1.986
52 HA ILE 24 HA ILE 24 14.236 13.591 -4.759
53 HB ILE 24 HB ILE 24 11.997 15.421 -3.776
54 HG12 ILE 24 1HG1 ILE 24 11.898 13.192 -5.790
55 HG13 ILE 24 2HG1 ILE 24 11.376 13.062 -4.095
56 HG21 ILE 24 1HG2 ILE 24 11.875 16.148 -6.135
57 HG22 ILE 24 2HG2 ILE 24 13.472 16.507 -5.438
58 HG23 ILE 24 3HG2 ILE 24 13.270 15.115 -6.526
59 HD11 ILE 24 3HD1 ILE 24 10.202 14.938 -6.177
60 HD12 ILE 24 1HD1 ILE 24 9.454 13.435 -5.591
61 HD13 ILE 24 2HD1 ILE 24 9.681 14.807 -4.480
62 H SER 25 H SER 25 16.100 14.449 -4.944
63 HA SER 25 HA SER 25 16.811 16.812 -3.180
64 HB2 SER 25 1HB SER 25 19.035 16.102 -3.279
65 HB3 SER 25 2HB SER 25 17.958 14.907 -2.523
66 HG SER 25 HG SER 25 17.944 13.938 -4.725
67 H ASP 26 H ASP 26 15.892 16.062 -6.270
68 HA ASP 26 HA ASP 26 17.167 18.465 -7.365
69 HB2 ASP 26 1HB ASP 26 18.809 16.328 -7.694
70 HB3 ASP 26 2HB ASP 26 17.511 15.985 -8.863
71 H ALA 27 H ALA 27 16.341 19.114 -9.387
72 HA ALA 27 HA ALA 27 13.546 18.529 -9.714
73 HB1 ALA 27 3HB ALA 27 15.490 19.906 -11.598
74 HB2 ALA 27 1HB ALA 27 13.717 19.931 -11.733
75 HB3 ALA 27 2HB ALA 27 14.514 20.695 -10.337
76 H ALA 28 H ALA 28 16.454 17.161 -11.078
77 HA ALA 28 HA ALA 28 15.204 15.691 -13.199
78 HB1 ALA 28 3HB ALA 28 17.659 15.019 -11.543
79 HB2 ALA 28 1HB ALA 28 17.196 14.245 -13.076
80 HB3 ALA 28 2HB ALA 28 17.637 15.969 -13.047
81 H GLN 29 H GLN 29 15.400 15.198 -9.739
82 HA GLN 29 HA GLN 29 14.304 12.452 -9.980
83 HB2 GLN 29 1HB GLN 29 14.967 14.141 -7.559
84 HB3 GLN 29 2HB GLN 29 14.471 12.432 -7.542
85 HG2 GLN 29 1HG GLN 29 16.788 11.920 -8.842
86 HG3 GLN 29 2HG GLN 29 16.791 13.694 -8.716
87 HE21 GLN 29 2HE2 GLN 29 18.922 12.178 -7.804
88 HE22 GLN 29 1HE2 GLN 29 18.986 12.254 -6.074
89 H LEU 30 H LEU 30 13.237 15.701 -9.400
90 HA LEU 30 HA LEU 30 10.675 15.101 -8.260
91 HB2 LEU 30 1HB LEU 30 11.728 17.212 -8.387
92 HB3 LEU 30 2HB LEU 30 11.463 17.398 -10.136
93 HG LEU 30 HG LEU 30 8.966 17.114 -9.621
94 HD11 LEU 30 1HD1 LEU 30 8.289 17.766 -7.295
95 HD12 LEU 30 2HD1 LEU 30 9.246 16.266 -7.293
96 HD13 LEU 30 3HD1 LEU 30 10.004 17.807 -6.824
97 HD21 LEU 30 3HD2 LEU 30 9.940 19.232 -10.287
98 HD22 LEU 30 1HD2 LEU 30 8.699 19.501 -9.042
99 HD23 LEU 30 2HD2 LEU 30 10.424 19.572 -8.609
100 HA PRO 31 HA PRO 31 8.871 12.902 -11.684
101 HB2 PRO 31 1HB PRO 31 6.422 13.292 -9.948
102 HB3 PRO 31 2HB PRO 31 7.082 11.786 -10.600
103 HG2 PRO 31 1HG PRO 31 7.350 12.335 -7.996
104 HG3 PRO 31 2HG PRO 31 8.684 11.577 -8.876
105 HD2 PRO 31 1HD PRO 31 8.359 14.501 -8.065
106 HD3 PRO 31 2HD PRO 31 9.804 13.486 -7.987
107 H HIS 32 H HIS 32 7.025 13.233 -13.089
108 HA HIS 32 HA HIS 32 6.506 16.170 -13.386
109 HB2 HIS 32 1HB HIS 32 6.705 13.943 -15.457
110 HB3 HIS 32 2HB HIS 32 6.076 15.569 -15.817
111 HD1 HIS 32 HD1 HIS 32 8.311 14.993 -17.500
112 HD2 HIS 32 HD2 HIS 32 9.000 16.395 -13.586
113 HE1 HIS 32 HE1 HIS 32 10.602 15.841 -17.482
114 H ASP 33 H ASP 33 5.077 13.494 -12.216
115 HA ASP 33 HA ASP 33 2.362 14.460 -13.020
116 HB2 ASP 33 1HB ASP 33 1.587 12.149 -13.396
117 HB3 ASP 33 2HB ASP 33 3.036 12.600 -14.329
118 H TYR 34 H TYR 34 4.328 14.445 -10.597
119 HA TYR 34 HA TYR 34 2.932 12.974 -8.531
120 HB2 TYR 34 1HB TYR 34 4.331 14.084 -7.007
121 HB3 TYR 34 2HB TYR 34 5.310 13.769 -8.460
122 HD1 TYR 34 HD1 TYR 34 3.446 16.418 -6.626
123 HD2 TYR 34 HD2 TYR 34 6.320 15.557 -9.655
124 HE1 TYR 34 HE1 TYR 34 4.017 18.826 -6.756
125 HE2 TYR 34 HE2 TYR 34 6.903 17.956 -9.799
126 HH TYR 34 HH TYR 34 5.305 20.409 -7.752
127 H CYS 35 H CYS 35 1.733 13.796 -6.769
128 HA CYS 35 HA CYS 35 0.307 16.424 -7.300
129 HB2 CYS 35 1HB CYS 35 -0.520 13.836 -5.912
130 HB3 CYS 35 2HB CYS 35 -1.535 15.286 -6.108
131 HG CYS 35 HG CYS 35 -2.378 13.403 -7.588
132 H THR 36 H THR 36 -0.358 17.544 -5.343
133 HA THR 36 HA THR 36 1.367 17.003 -2.963
134 HB THR 36 HB THR 36 1.036 19.728 -4.285
135 HG1 THR 36 HG1 THR 36 3.317 19.464 -4.659
136 HG21 THR 36 3HG2 THR 36 2.666 18.825 -1.876
137 HG22 THR 36 1HG2 THR 36 2.666 20.460 -2.579
138 HG23 THR 36 2HG2 THR 36 1.189 19.817 -1.820
139 H TPO 37 H TPO 37 0.433 17.220 -1.077
140 HA TPO 37 HA TPO 37 -2.419 17.994 -1.024
141 HB TPO 37 HB TPO 37 -2.442 17.160 1.228
142 HG21 TPO 37 1HG2 TPO 37 -1.539 14.876 0.960
143 HG22 TPO 37 2HG2 TPO 37 -2.356 15.420 -0.525
144 HG23 TPO 37 3HG2 TPO 37 -0.579 15.420 -0.436
145 HA PRO 38 HA PRO 38 -2.249 22.048 0.466
146 HB2 PRO 38 1HB PRO 38 -3.762 21.119 2.943
147 HB3 PRO 38 2HB PRO 38 -4.173 22.427 1.827
148 HG2 PRO 38 1HG PRO 38 -5.525 20.136 1.697
149 HG3 PRO 38 2HG PRO 38 -5.054 20.946 0.198
150 HD2 PRO 38 1HD PRO 38 -3.802 18.507 1.517
151 HD3 PRO 38 2HD PRO 38 -4.058 18.830 -0.202
152 H GLY 39 H GLY 39 -1.385 19.500 2.728
153 HA2 GLY 39 1HA GLY 39 -0.043 21.228 4.600
154 HA3 GLY 39 2HA GLY 39 0.182 19.471 4.432
155 H GLY 40 H GLY 40 0.850 19.775 1.538
156 HA2 GLY 40 1HA GLY 40 2.560 20.847 0.207
157 HA3 GLY 40 2HA GLY 40 3.429 21.266 1.701
158 H THR 41 H THR 41 1.992 18.105 1.176
159 HA THR 41 HA THR 41 4.747 16.944 0.940
160 HB THR 41 HB THR 41 2.167 15.656 1.929
161 HG1 THR 41 HG1 THR 41 2.828 16.691 3.678
162 HG21 THR 41 3HG2 THR 41 5.017 14.593 1.794
163 HG22 THR 41 1HG2 THR 41 3.629 13.756 2.527
164 HG23 THR 41 2HG2 THR 41 3.660 14.062 0.773
165 H LEU 42 H LEU 42 5.349 15.872 -0.772
166 HA LEU 42 HA LEU 42 3.459 15.711 -3.032
167 HB2 LEU 42 1HB LEU 42 6.302 15.388 -2.518
168 HB3 LEU 42 2HB LEU 42 5.747 14.649 -4.037
169 HG LEU 42 HG LEU 42 4.766 16.954 -4.602
170 HD11 LEU 42 1HD1 LEU 42 5.914 18.885 -3.485
171 HD12 LEU 42 2HD1 LEU 42 4.979 17.924 -2.315
172 HD13 LEU 42 3HD1 LEU 42 6.747 17.743 -2.403
173 HD21 LEU 42 3HD2 LEU 42 6.700 16.030 -5.735
174 HD22 LEU 42 1HD2 LEU 42 6.925 17.777 -5.480
175 HD23 LEU 42 2HD2 LEU 42 7.773 16.608 -4.438
176 H PHE 43 H PHE 43 2.764 13.929 -4.079
177 HA PHE 43 HA PHE 43 3.642 11.256 -3.218
178 HB2 PHE 43 1HB PHE 43 1.462 10.484 -2.481
179 HB3 PHE 43 2HB PHE 43 1.885 11.915 -1.514
180 HD1 PHE 43 HD2 PHE 43 0.817 14.087 -2.003
181 HD2 PHE 43 HD1 PHE 43 -0.433 10.445 -3.856
182 HE1 PHE 43 HE2 PHE 43 -1.333 15.141 -2.618
183 HE2 PHE 43 HE1 PHE 43 -2.583 11.497 -4.475
184 HZ PHE 43 HZ PHE 43 -3.033 13.845 -3.855
185 H SER 44 H SER 44 2.994 9.586 -4.570
186 HA SER 44 HA SER 44 1.182 10.197 -6.878
187 HB2 SER 44 1HB SER 44 3.253 11.024 -7.637
188 HB3 SER 44 2HB SER 44 4.004 9.439 -7.338
189 HG SER 44 HG SER 44 3.121 9.955 -9.532
190 H THR 45 H THR 45 0.125 8.410 -7.544
191 HA THR 45 HA THR 45 1.001 5.778 -6.395
192 HB THR 45 HB THR 45 -1.815 6.697 -7.111
193 HG1 THR 45 HG1 THR 45 -0.986 7.613 -5.154
194 HG21 THR 45 3HG2 THR 45 -0.796 4.134 -5.824
195 HG22 THR 45 1HG2 THR 45 -2.503 4.565 -6.073
196 HG23 THR 45 2HG2 THR 45 -1.443 4.281 -7.475
197 H TPO 46 H TPO 46 1.460 4.177 -7.684
198 HA TPO 46 HA TPO 46 1.243 4.688 -10.605
199 HB TPO 46 HB TPO 46 2.860 2.944 -10.892
200 HG21 TPO 46 1HG2 TPO 46 4.721 3.670 -9.439
201 HG22 TPO 46 2HG2 TPO 46 3.787 5.066 -10.029
202 HG23 TPO 46 3HG2 TPO 46 3.563 4.486 -8.362
203 HA PRO 47 HA PRO 47 -1.963 2.028 -11.632
204 HB2 PRO 47 1HB PRO 47 -0.043 0.456 -13.404
205 HB3 PRO 47 2HB PRO 47 -1.583 1.210 -13.842
206 HG2 PRO 47 1HG PRO 47 0.695 2.374 -14.588
207 HG3 PRO 47 2HG PRO 47 -0.636 3.377 -13.995
208 HD2 PRO 47 1HD PRO 47 1.904 2.538 -12.546
209 HD3 PRO 47 2HD PRO 47 1.054 4.088 -12.490
210 H GLY 48 H GLY 48 1.047 0.510 -10.675
211 HA2 GLY 48 1HA GLY 48 -0.006 -2.123 -10.279
212 HA3 GLY 48 2HA GLY 48 1.443 -1.443 -9.501
213 H GLY 49 H GLY 49 -0.202 0.831 -8.423
214 HA2 GLY 49 1HA GLY 49 -2.122 1.006 -6.900
215 HA3 GLY 49 2HA GLY 49 -1.794 -0.662 -6.376
216 H THR 50 H THR 50 1.194 0.450 -6.717
217 HA THR 50 HA THR 50 1.629 0.821 -3.880
218 HB THR 50 HB THR 50 3.479 1.420 -6.227
219 HG1 THR 50 HG1 THR 50 3.435 -0.703 -6.334
220 HG21 THR 50 3HG2 THR 50 4.051 0.988 -3.268
221 HG22 THR 50 1HG2 THR 50 5.273 1.216 -4.542
222 HG23 THR 50 2HG2 THR 50 4.156 2.540 -4.131
223 H ARG 51 H ARG 51 1.617 2.521 -2.642
224 HA ARG 51 HA ARG 51 1.220 5.185 -3.937
225 HB2 ARG 51 1HB ARG 51 0.712 4.324 -1.125
226 HB3 ARG 51 2HB ARG 51 0.487 5.959 -1.789
227 HG2 ARG 51 1HG ARG 51 -1.252 5.164 -3.280
228 HG3 ARG 51 2HG ARG 51 -0.973 3.484 -2.759
229 HD2 ARG 51 1HD ARG 51 -1.706 4.082 -0.519
230 HD3 ARG 51 2HD ARG 51 -2.031 5.738 -1.083
231 HE ARG 51 HE ARG 51 -3.661 3.899 -2.638
232 HH11 ARG 51 1HH1 ARG 51 -3.420 5.111 0.622
233 HH12 ARG 51 2HH1 ARG 51 -5.148 4.902 0.834
234 HH21 ARG 51 1HH2 ARG 51 -5.639 3.646 -2.409
235 HH22 ARG 51 2HH2 ARG 51 -6.414 4.066 -0.894
236 H ILE 52 H ILE 52 2.921 6.366 -4.257
237 HA ILE 52 HA ILE 52 5.288 6.008 -2.453
238 HB ILE 52 HB ILE 52 5.046 7.360 -5.180
239 HG12 ILE 52 1HG1 ILE 52 6.372 4.758 -4.473
240 HG13 ILE 52 2HG1 ILE 52 4.744 4.908 -5.175
241 HG21 ILE 52 1HG2 ILE 52 7.515 7.415 -5.099
242 HG22 ILE 52 2HG2 ILE 52 6.810 8.339 -3.752
243 HG23 ILE 52 3HG2 ILE 52 7.477 6.714 -3.464
244 HD11 ILE 52 3HD1 ILE 52 7.331 5.854 -6.460
245 HD12 ILE 52 1HD1 ILE 52 6.418 4.395 -6.909
246 HD13 ILE 52 2HD1 ILE 52 5.703 6.005 -7.163
247 H ILE 53 H ILE 53 5.566 7.285 -0.863
248 HA ILE 53 HA ILE 53 4.576 10.107 -1.077
249 HB ILE 53 HB ILE 53 5.622 8.515 1.311
250 HG12 ILE 53 1HG1 ILE 53 2.834 9.476 0.734
251 HG13 ILE 53 2HG1 ILE 53 3.423 7.828 0.421
252 HG21 ILE 53 1HG2 ILE 53 4.876 10.460 2.640
253 HG22 ILE 53 2HG2 ILE 53 6.133 10.929 1.472
254 HG23 ILE 53 3HG2 ILE 53 4.427 11.313 1.143
255 HD11 ILE 53 3HD1 ILE 53 3.308 9.190 3.136
256 HD12 ILE 53 1HD1 ILE 53 2.186 7.941 2.548
257 HD13 ILE 53 2HD1 ILE 53 3.899 7.541 2.822
258 H TYR 54 H TYR 54 5.791 11.777 -1.341
259 HA TYR 54 HA TYR 54 8.707 11.197 -1.693
260 HB2 TYR 54 1HB TYR 54 6.906 13.329 -2.860
261 HB3 TYR 54 2HB TYR 54 8.669 13.238 -3.101
262 HD1 TYR 54 HD2 TYR 54 9.622 11.210 -4.288
263 HD2 TYR 54 HD1 TYR 54 5.441 12.044 -4.211
264 HE1 TYR 54 HE2 TYR 54 9.294 9.689 -6.209
265 HE2 TYR 54 HE1 TYR 54 5.095 10.524 -6.136
266 HH TYR 54 HH TYR 54 7.801 8.772 -7.663
267 H ASP 55 H ASP 55 10.224 12.175 -0.567
268 HA ASP 55 HA ASP 55 9.440 14.543 1.091
269 HB2 ASP 55 1HB ASP 55 10.622 12.573 2.273
270 HB3 ASP 55 2HB ASP 55 11.894 12.902 1.070
271 H ARG 56 H ARG 56 9.529 16.298 -0.124
272 HA ARG 56 HA ARG 56 11.519 16.514 -2.278
273 HB2 ARG 56 1HB ARG 56 9.236 17.245 -2.588
274 HB3 ARG 56 2HB ARG 56 9.494 18.506 -1.359
275 HG2 ARG 56 1HG ARG 56 11.144 19.598 -2.737
276 HG3 ARG 56 2HG ARG 56 11.102 18.266 -3.918
277 HD2 ARG 56 1HD ARG 56 8.804 18.837 -4.454
278 HD3 ARG 56 2HD ARG 56 8.883 20.191 -3.302
279 HE ARG 56 HE ARG 56 10.924 20.705 -5.242
280 HH11 ARG 56 1HH1 ARG 56 7.466 20.257 -5.315
281 HH12 ARG 56 2HH1 ARG 56 7.351 21.333 -6.695
282 HH21 ARG 56 1HH2 ARG 56 10.809 21.932 -6.826
283 HH22 ARG 56 2HH2 ARG 56 9.256 22.287 -7.558
284 H LYS 57 H LYS 57 13.494 16.520 -1.256
285 HA LYS 57 HA LYS 57 14.106 18.681 0.660
286 HB2 LYS 57 1HB LYS 57 15.857 16.635 -0.714
287 HB3 LYS 57 2HB LYS 57 16.387 17.778 0.542
288 HG2 LYS 57 1HG LYS 57 14.868 16.729 2.158
289 HG3 LYS 57 2HG LYS 57 14.299 15.601 0.904
290 HD2 LYS 57 1HD LYS 57 16.577 14.692 0.686
291 HD3 LYS 57 2HD LYS 57 17.147 15.819 1.941
292 HE2 LYS 57 1HE LYS 57 15.586 14.790 3.553
293 HE3 LYS 57 2HE LYS 57 15.061 13.643 2.298
294 HZ1 LYS 57 3HZ LYS 57 17.798 13.869 3.379
295 HZ2 LYS 57 1HZ LYS 57 16.716 12.680 3.748
296 HZ3 LYS 57 2HZ LYS 57 17.312 12.806 2.215
297 H PHE 58 H PHE 58 14.227 18.151 -2.758
298 HA PHE 58 HA PHE 58 16.202 20.027 -3.534
299 HB2 PHE 58 1HB PHE 58 15.101 18.588 -5.177
300 HB3 PHE 58 2HB PHE 58 13.532 19.357 -4.846
301 HD1 PHE 58 HD1 PHE 58 16.984 20.161 -6.003
302 HD2 PHE 58 HD2 PHE 58 12.814 21.078 -6.161
303 HE1 PHE 58 HE1 PHE 58 17.415 21.809 -7.796
304 HE2 PHE 58 HE2 PHE 58 13.242 22.724 -7.955
305 HZ PHE 58 HZ PHE 58 15.544 23.090 -8.772
306 H LEU 59 H LEU 59 12.700 20.637 -3.100
307 HA LEU 59 HA LEU 59 13.217 23.543 -3.031
308 HB2 LEU 59 1HB LEU 59 11.382 22.752 -4.142
309 HB3 LEU 59 2HB LEU 59 10.659 21.874 -2.775
310 HG LEU 59 HG LEU 59 10.472 24.106 -1.586
311 HD11 LEU 59 1HD1 LEU 59 10.508 26.145 -3.046
312 HD12 LEU 59 2HD1 LEU 59 12.100 25.351 -3.005
313 HD13 LEU 59 3HD1 LEU 59 11.035 25.137 -4.415
314 HD21 LEU 59 3HD2 LEU 59 8.546 23.021 -2.581
315 HD22 LEU 59 1HD2 LEU 59 8.432 24.783 -2.804
316 HD23 LEU 59 2HD2 LEU 59 8.920 23.742 -4.164
317 H LEU 60 H LEU 60 13.795 24.617 -1.335
318 HA LEU 60 HA LEU 60 13.475 23.421 1.351
319 HB2 LEU 60 1HB LEU 60 14.620 25.933 0.319
320 HB3 LEU 60 2HB LEU 60 14.769 25.529 2.045
321 HG LEU 60 HG LEU 60 15.999 24.017 -0.292
322 HD11 LEU 60 1HD1 LEU 60 18.170 24.737 0.740
323 HD12 LEU 60 2HD1 LEU 60 17.175 26.139 0.282
324 HD13 LEU 60 3HD1 LEU 60 17.263 25.629 1.985
325 HD21 LEU 60 3HD2 LEU 60 15.294 22.486 1.451
326 HD22 LEU 60 1HD2 LEU 60 17.070 22.605 1.429
327 HD23 LEU 60 2HD2 LEU 60 16.137 23.456 2.684
328 H ASP 61 H ASP 61 12.284 26.205 -0.492
329 HA ASP 61 HA ASP 61 10.562 27.034 1.762
330 HB2 ASP 61 1HB ASP 61 11.683 28.694 0.064
331 HB3 ASP 61 2HB ASP 61 10.538 27.909 -1.051
332 H ARG 62 H ARG 62 9.610 24.810 1.787
333 HA ARG 62 HA ARG 62 7.584 24.318 -0.303
334 HB2 ARG 62 1HB ARG 62 8.248 22.848 2.205
335 HB3 ARG 62 2HB ARG 62 6.949 22.412 1.071
336 HG2 ARG 62 1HG ARG 62 8.573 22.046 -0.703
337 HG3 ARG 62 2HG ARG 62 9.895 22.577 0.365
338 HD2 ARG 62 1HD ARG 62 8.153 20.213 0.948
339 HD3 ARG 62 2HD ARG 62 9.656 20.120 0.002
340 HE ARG 62 HE ARG 62 10.372 21.242 2.548
341 HH11 ARG 62 1HH1 ARG 62 8.985 18.258 1.396
342 HH12 ARG 62 2HH1 ARG 62 9.716 17.394 2.734
343 HH21 ARG 62 1HH2 ARG 62 11.209 20.268 4.091
344 HH22 ARG 62 2HH2 ARG 62 10.984 18.539 4.271
Start of MODEL 2
1 H2 PRO 18 1H PRO 18 0.014 -1.094 -1.087
2 H3 PRO 18 2H PRO 18 -0.369 -0.778 0.329
3 HA PRO 18 HA PRO 18 1.898 -0.564 1.052
4 HB2 PRO 18 1HB PRO 18 3.424 -0.962 -1.200
5 HB3 PRO 18 2HB PRO 18 2.523 -2.306 -0.485
6 HG2 PRO 18 1HG PRO 18 1.779 -0.559 -2.854
7 HG3 PRO 18 2HG PRO 18 1.678 -2.318 -2.696
8 HD2 PRO 18 1HD PRO 18 -0.522 -0.709 -2.338
9 HD3 PRO 18 2HD PRO 18 -0.331 -2.224 -1.446
10 H THR 19 H THR 19 3.538 0.849 1.285
11 HA THR 19 HA THR 19 3.304 3.366 -0.327
12 HB THR 19 HB THR 19 3.679 3.178 2.692
13 HG1 THR 19 HG1 THR 19 1.608 4.236 2.678
14 HG21 THR 19 3HG2 THR 19 3.447 5.577 0.833
15 HG22 THR 19 1HG2 THR 19 3.549 5.643 2.608
16 HG23 THR 19 2HG2 THR 19 4.929 5.041 1.657
17 H ARG 20 H ARG 20 5.090 4.107 -1.148
18 HA ARG 20 HA ARG 20 7.678 3.052 -0.051
19 HB2 ARG 20 1HB ARG 20 7.282 2.287 -2.260
20 HB3 ARG 20 2HB ARG 20 7.035 3.958 -2.822
21 HG2 ARG 20 1HG ARG 20 9.359 4.500 -2.284
22 HG3 ARG 20 2HG ARG 20 9.615 2.848 -1.671
23 HD2 ARG 20 1HD ARG 20 9.222 1.966 -3.885
24 HD3 ARG 20 2HD ARG 20 8.961 3.615 -4.499
25 HE ARG 20 HE ARG 20 11.656 3.450 -3.415
26 HH11 ARG 20 1HH1 ARG 20 9.801 2.227 -6.103
27 HH12 ARG 20 2HH1 ARG 20 11.254 2.158 -7.081
28 HH21 ARG 20 1HH2 ARG 20 13.329 3.368 -4.520
29 HH22 ARG 20 2HH2 ARG 20 13.266 2.807 -6.180
30 H THR 21 H THR 21 9.070 4.364 0.822
31 HA THR 21 HA THR 21 8.531 7.289 0.693
32 HB THR 21 HB THR 21 10.490 5.695 2.400
33 HG1 THR 21 HG1 THR 21 8.956 6.246 4.060
34 HG21 THR 21 3HG2 THR 21 9.660 8.623 2.500
35 HG22 THR 21 1HG2 THR 21 10.732 7.805 3.661
36 HG23 THR 21 2HG2 THR 21 11.243 8.009 1.968
37 H VAL 22 H VAL 22 9.479 8.530 -0.690
38 HA VAL 22 HA VAL 22 12.239 7.785 -1.651
39 HB VAL 22 HB VAL 22 9.975 9.060 -3.245
40 HG11 VAL 22 1HG1 VAL 22 11.573 8.957 -5.128
41 HG12 VAL 22 2HG1 VAL 22 12.199 9.977 -3.812
42 HG13 VAL 22 3HG1 VAL 22 12.824 8.325 -4.032
43 HG21 VAL 22 3HG2 VAL 22 9.630 6.679 -2.952
44 HG22 VAL 22 1HG2 VAL 22 10.088 7.051 -4.631
45 HG23 VAL 22 2HG2 VAL 22 11.286 6.351 -3.516
46 H ALA 23 H ALA 23 13.742 9.122 -1.201
47 HA ALA 23 HA ALA 23 13.075 11.824 -0.267
48 HB1 ALA 23 3HB ALA 23 15.755 10.456 -0.684
49 HB2 ALA 23 1HB ALA 23 15.502 12.031 0.104
50 HB3 ALA 23 2HB ALA 23 14.852 10.550 0.846
51 H ILE 24 H ILE 24 13.518 13.741 -1.224
52 HA ILE 24 HA ILE 24 14.374 13.619 -4.105
53 HB ILE 24 HB ILE 24 12.149 15.307 -2.870
54 HG12 ILE 24 1HG1 ILE 24 11.534 12.992 -3.234
55 HG13 ILE 24 2HG1 ILE 24 10.643 14.129 -4.273
56 HG21 ILE 24 1HG2 ILE 24 11.819 16.148 -5.171
57 HG22 ILE 24 2HG2 ILE 24 13.447 16.545 -4.573
58 HG23 ILE 24 3HG2 ILE 24 13.223 15.203 -5.718
59 HD11 ILE 24 3HD1 ILE 24 12.992 12.402 -5.130
60 HD12 ILE 24 1HD1 ILE 24 11.283 12.100 -5.516
61 HD13 ILE 24 2HD1 ILE 24 12.102 13.539 -6.170
62 H SER 25 H SER 25 15.951 14.819 -4.690
63 HA SER 25 HA SER 25 17.041 16.830 -2.723
64 HB2 SER 25 1HB SER 25 19.065 16.631 -3.810
65 HB3 SER 25 2HB SER 25 18.462 15.043 -3.284
66 HG SER 25 HG SER 25 19.333 15.005 -5.401
67 H ASP 26 H ASP 26 15.447 16.494 -5.799
68 HA ASP 26 HA ASP 26 15.459 19.384 -6.235
69 HB2 ASP 26 1HB ASP 26 17.744 18.317 -7.252
70 HB3 ASP 26 2HB ASP 26 16.513 17.753 -8.409
71 H ALA 27 H ALA 27 14.200 20.038 -8.080
72 HA ALA 27 HA ALA 27 11.771 18.518 -8.220
73 HB1 ALA 27 3HB ALA 27 12.747 20.802 -9.967
74 HB2 ALA 27 1HB ALA 27 11.077 20.192 -9.889
75 HB3 ALA 27 2HB ALA 27 11.811 20.958 -8.461
76 H ALA 28 H ALA 28 14.696 18.443 -10.068
77 HA ALA 28 HA ALA 28 13.710 17.228 -12.449
78 HB1 ALA 28 3HB ALA 28 16.371 16.830 -11.039
79 HB2 ALA 28 1HB ALA 28 16.005 16.372 -12.718
80 HB3 ALA 28 2HB ALA 28 15.999 18.086 -12.242
81 H GLN 29 H GLN 29 14.035 16.015 -9.225
82 HA GLN 29 HA GLN 29 13.958 13.190 -10.140
83 HB2 GLN 29 1HB GLN 29 14.006 14.374 -7.355
84 HB3 GLN 29 2HB GLN 29 14.177 12.654 -7.779
85 HG2 GLN 29 1HG GLN 29 16.379 14.825 -8.338
86 HG3 GLN 29 2HG GLN 29 16.119 13.478 -7.206
87 HE21 GLN 29 2HE2 GLN 29 17.571 14.409 -10.062
88 HE22 GLN 29 1HE2 GLN 29 17.812 12.850 -10.777
89 H LEU 30 H LEU 30 11.763 15.614 -9.631
90 HA LEU 30 HA LEU 30 9.701 13.908 -8.372
91 HB2 LEU 30 1HB LEU 30 9.810 16.642 -9.455
92 HB3 LEU 30 2HB LEU 30 8.279 16.049 -8.772
93 HG LEU 30 HG LEU 30 10.905 16.424 -7.280
94 HD11 LEU 30 1HD1 LEU 30 9.637 18.194 -6.034
95 HD12 LEU 30 2HD1 LEU 30 9.715 18.559 -7.774
96 HD13 LEU 30 3HD1 LEU 30 8.223 17.890 -7.071
97 HD21 LEU 30 3HD2 LEU 30 9.689 14.499 -6.448
98 HD22 LEU 30 1HD2 LEU 30 9.617 15.823 -5.260
99 HD23 LEU 30 2HD2 LEU 30 8.206 15.468 -6.286
100 HA PRO 31 HA PRO 31 7.812 12.503 -12.103
101 HB2 PRO 31 1HB PRO 31 5.205 12.813 -10.623
102 HB3 PRO 31 2HB PRO 31 5.919 11.342 -11.296
103 HG2 PRO 31 1HG PRO 31 5.863 11.709 -8.642
104 HG3 PRO 31 2HG PRO 31 7.276 10.966 -9.402
105 HD2 PRO 31 1HD PRO 31 6.921 13.856 -8.471
106 HD3 PRO 31 2HD PRO 31 8.301 12.779 -8.222
107 H HIS 32 H HIS 32 5.828 13.056 -13.454
108 HA HIS 32 HA HIS 32 5.671 16.044 -13.601
109 HB2 HIS 32 1HB HIS 32 5.348 13.890 -15.734
110 HB3 HIS 32 2HB HIS 32 4.940 15.603 -15.991
111 HD2 HIS 32 HD2 HIS 32 8.169 15.825 -14.019
112 HE1 HIS 32 HE1 HIS 32 9.268 15.330 -18.092
113 HE2 HIS 32 HE2 HIS 32 10.043 15.981 -15.666
114 H ASP 33 H ASP 33 3.989 13.555 -12.356
115 HA ASP 33 HA ASP 33 1.392 14.958 -12.786
116 HB2 ASP 33 1HB ASP 33 0.220 12.843 -13.294
117 HB3 ASP 33 2HB ASP 33 1.610 13.194 -14.352
118 H TYR 34 H TYR 34 3.504 14.528 -10.614
119 HA TYR 34 HA TYR 34 2.162 13.033 -8.523
120 HB2 TYR 34 1HB TYR 34 3.774 13.939 -7.060
121 HB3 TYR 34 2HB TYR 34 4.595 13.586 -8.600
122 HD1 TYR 34 HD1 TYR 34 3.158 16.338 -6.541
123 HD2 TYR 34 HD2 TYR 34 5.709 15.305 -9.798
124 HE1 TYR 34 HE1 TYR 34 3.971 18.676 -6.635
125 HE2 TYR 34 HE2 TYR 34 6.531 17.633 -9.906
126 HH TYR 34 HH TYR 34 6.406 19.728 -9.020
127 H CYS 35 H CYS 35 1.342 13.920 -6.531
128 HA CYS 35 HA CYS 35 -0.145 16.538 -6.924
129 HB2 CYS 35 1HB CYS 35 -0.855 13.919 -5.529
130 HB3 CYS 35 2HB CYS 35 -1.880 15.373 -5.590
131 HG CYS 35 HG CYS 35 -2.857 13.535 -7.044
132 H THR 36 H THR 36 -0.704 17.581 -4.870
133 HA THR 36 HA THR 36 1.194 16.991 -2.638
134 HB THR 36 HB THR 36 0.685 19.763 -3.798
135 HG1 THR 36 HG1 THR 36 2.943 19.600 -4.334
136 HG21 THR 36 3HG2 THR 36 2.501 18.806 -1.549
137 HG22 THR 36 1HG2 THR 36 2.401 20.471 -2.167
138 HG23 THR 36 2HG2 THR 36 1.001 19.740 -1.347
139 H TPO 37 H TPO 37 0.404 17.136 -0.672
140 HA TPO 37 HA TPO 37 -2.485 17.705 -0.415
141 HB TPO 37 HB TPO 37 -2.314 16.786 1.793
142 HG21 TPO 37 1HG2 TPO 37 -1.248 14.594 1.391
143 HG22 TPO 37 2HG2 TPO 37 -2.186 15.119 -0.028
144 HG23 TPO 37 3HG2 TPO 37 -0.412 15.260 -0.031
145 HA PRO 38 HA PRO 38 -2.516 21.709 1.181
146 HB2 PRO 38 1HB PRO 38 -3.792 20.608 3.725
147 HB3 PRO 38 2HB PRO 38 -4.367 21.913 2.678
148 HG2 PRO 38 1HG PRO 38 -5.557 19.532 2.562
149 HG3 PRO 38 2HG PRO 38 -5.243 20.416 1.062
150 HD2 PRO 38 1HD PRO 38 -3.741 18.038 2.220
151 HD3 PRO 38 2HD PRO 38 -4.123 18.393 0.531
152 H GLY 39 H GLY 39 -1.348 19.197 3.357
153 HA2 GLY 39 1HA GLY 39 0.016 20.959 5.159
154 HA3 GLY 39 2HA GLY 39 0.378 19.237 4.896
155 H GLY 40 H GLY 40 0.847 19.569 2.025
156 HA2 GLY 40 1HA GLY 40 2.320 20.918 0.602
157 HA3 GLY 40 2HA GLY 40 3.298 21.284 2.041
158 H THR 41 H THR 41 2.081 18.069 1.781
159 HA THR 41 HA THR 41 4.829 17.081 1.173
160 HB THR 41 HB THR 41 2.370 15.620 2.227
161 HG1 THR 41 HG1 THR 41 3.088 16.603 3.985
162 HG21 THR 41 3HG2 THR 41 5.248 14.696 1.875
163 HG22 THR 41 1HG2 THR 41 3.942 13.760 2.637
164 HG23 THR 41 2HG2 THR 41 3.858 14.157 0.904
165 H LEU 42 H LEU 42 5.396 16.165 -0.633
166 HA LEU 42 HA LEU 42 3.383 15.944 -2.781
167 HB2 LEU 42 1HB LEU 42 6.268 15.858 -2.455
168 HB3 LEU 42 2HB LEU 42 5.690 15.110 -3.961
169 HG LEU 42 HG LEU 42 4.506 17.302 -4.456
170 HD11 LEU 42 1HD1 LEU 42 5.403 19.327 -3.277
171 HD12 LEU 42 2HD1 LEU 42 4.589 18.225 -2.141
172 HD13 LEU 42 3HD1 LEU 42 6.367 18.268 -2.223
173 HD21 LEU 42 3HD2 LEU 42 6.543 16.655 -5.599
174 HD22 LEU 42 1HD2 LEU 42 6.548 18.409 -5.295
175 HD23 LEU 42 2HD2 LEU 42 7.532 17.325 -4.280
176 H PHE 43 H PHE 43 2.772 14.153 -3.864
177 HA PHE 43 HA PHE 43 3.924 11.533 -3.169
178 HB2 PHE 43 1HB PHE 43 1.843 10.546 -2.386
179 HB3 PHE 43 2HB PHE 43 2.205 11.954 -1.363
180 HD1 PHE 43 HD2 PHE 43 0.972 14.077 -1.722
181 HD2 PHE 43 HD1 PHE 43 -0.126 10.416 -3.632
182 HE1 PHE 43 HE2 PHE 43 -1.280 14.992 -2.179
183 HE2 PHE 43 HE1 PHE 43 -2.377 11.329 -4.092
184 HZ PHE 43 HZ PHE 43 -2.953 13.618 -3.366
185 H SER 44 H SER 44 3.064 9.785 -4.454
186 HA SER 44 HA SER 44 1.344 10.553 -6.799
187 HB2 SER 44 1HB SER 44 2.747 9.839 -8.417
188 HB3 SER 44 2HB SER 44 3.608 11.050 -7.439
189 HG SER 44 HG SER 44 3.893 8.238 -7.196
190 H THR 45 H THR 45 0.880 8.571 -8.116
191 HA THR 45 HA THR 45 1.153 6.008 -6.622
192 HB THR 45 HB THR 45 -1.493 7.033 -7.737
193 HG1 THR 45 HG1 THR 45 -0.421 6.856 -5.114
194 HG21 THR 45 3HG2 THR 45 -0.773 4.489 -6.226
195 HG22 THR 45 1HG2 THR 45 -2.411 4.975 -6.724
196 HG23 THR 45 2HG2 THR 45 -1.182 4.591 -7.954
197 H TPO 46 H TPO 46 1.682 4.362 -7.828
198 HA TPO 46 HA TPO 46 1.903 4.828 -10.750
199 HB TPO 46 HB TPO 46 3.365 2.934 -10.800
200 HG21 TPO 46 1HG2 TPO 46 5.056 3.485 -9.085
201 HG22 TPO 46 2HG2 TPO 46 4.364 4.962 -9.799
202 HG23 TPO 46 3HG2 TPO 46 3.840 4.423 -8.186
203 HA PRO 47 HA PRO 47 -1.373 2.487 -12.230
204 HB2 PRO 47 1HB PRO 47 0.618 0.686 -13.676
205 HB3 PRO 47 2HB PRO 47 -0.759 1.571 -14.348
206 HG2 PRO 47 1HG PRO 47 1.705 2.492 -14.761
207 HG3 PRO 47 2HG PRO 47 0.409 3.634 -14.384
208 HD2 PRO 47 1HD PRO 47 2.618 2.595 -12.569
209 HD3 PRO 47 2HD PRO 47 1.920 4.218 -12.652
210 H GLY 48 H GLY 48 1.297 0.663 -10.859
211 HA2 GLY 48 1HA GLY 48 -0.113 -1.815 -10.575
212 HA3 GLY 48 2HA GLY 48 1.308 -1.301 -9.637
213 H GLY 49 H GLY 49 -0.145 1.182 -8.776
214 HA2 GLY 49 1HA GLY 49 -2.192 1.622 -7.483
215 HA3 GLY 49 2HA GLY 49 -2.122 -0.059 -6.903
216 H THR 50 H THR 50 0.980 0.565 -6.873
217 HA THR 50 HA THR 50 1.132 1.022 -4.027
218 HB THR 50 HB THR 50 3.321 1.254 -6.135
219 HG1 THR 50 HG1 THR 50 2.902 -0.837 -6.230
220 HG21 THR 50 3HG2 THR 50 3.449 0.829 -3.123
221 HG22 THR 50 1HG2 THR 50 4.840 0.835 -4.233
222 HG23 THR 50 2HG2 THR 50 3.895 2.322 -3.982
223 H ARG 51 H ARG 51 1.350 2.754 -2.830
224 HA ARG 51 HA ARG 51 1.321 5.394 -4.204
225 HB2 ARG 51 1HB ARG 51 0.830 4.661 -1.353
226 HB3 ARG 51 2HB ARG 51 0.843 6.312 -2.017
227 HG2 ARG 51 1HG ARG 51 -1.030 5.700 -3.514
228 HG3 ARG 51 2HG ARG 51 -1.065 4.078 -2.779
229 HD2 ARG 51 1HD ARG 51 -1.545 5.146 -0.612
230 HD3 ARG 51 2HD ARG 51 -1.671 6.703 -1.463
231 HE ARG 51 HE ARG 51 -3.612 4.909 -2.640
232 HH11 ARG 51 1HH1 ARG 51 -3.036 6.464 0.428
233 HH12 ARG 51 2HH1 ARG 51 -4.761 6.504 0.737
234 HH21 ARG 51 1HH2 ARG 51 -5.589 4.941 -2.297
235 HH22 ARG 51 2HH2 ARG 51 -6.217 5.636 -0.815
236 H ILE 52 H ILE 52 2.774 6.994 -3.907
237 HA ILE 52 HA ILE 52 5.282 6.264 -2.418
238 HB ILE 52 HB ILE 52 5.060 7.715 -5.095
239 HG12 ILE 52 1HG1 ILE 52 6.320 5.061 -4.451
240 HG13 ILE 52 2HG1 ILE 52 4.720 5.286 -5.196
241 HG21 ILE 52 1HG2 ILE 52 7.530 7.732 -5.020
242 HG22 ILE 52 2HG2 ILE 52 6.843 8.626 -3.645
243 HG23 ILE 52 3HG2 ILE 52 7.488 6.985 -3.406
244 HD11 ILE 52 3HD1 ILE 52 7.372 6.191 -6.371
245 HD12 ILE 52 1HD1 ILE 52 6.429 4.777 -6.896
246 HD13 ILE 52 2HD1 ILE 52 5.772 6.416 -7.116
247 H ILE 53 H ILE 53 5.809 7.527 -0.880
248 HA ILE 53 HA ILE 53 4.763 10.343 -0.923
249 HB ILE 53 HB ILE 53 5.888 8.714 1.401
250 HG12 ILE 53 1HG1 ILE 53 3.819 7.772 0.681
251 HG13 ILE 53 2HG1 ILE 53 3.631 8.609 2.240
252 HG21 ILE 53 1HG2 ILE 53 5.004 10.564 2.781
253 HG22 ILE 53 2HG2 ILE 53 6.215 11.155 1.618
254 HG23 ILE 53 3HG2 ILE 53 4.482 11.414 1.308
255 HD11 ILE 53 3HD1 ILE 53 2.786 9.689 -0.472
256 HD12 ILE 53 1HD1 ILE 53 1.699 9.024 0.769
257 HD13 ILE 53 2HD1 ILE 53 2.600 10.527 1.087
258 H TYR 54 H TYR 54 5.987 11.991 -1.215
259 HA TYR 54 HA TYR 54 8.898 11.411 -1.578
260 HB2 TYR 54 1HB TYR 54 7.115 13.606 -2.651
261 HB3 TYR 54 2HB TYR 54 8.873 13.499 -2.912
262 HD1 TYR 54 HD2 TYR 54 9.767 11.424 -4.122
263 HD2 TYR 54 HD1 TYR 54 5.634 12.472 -4.093
264 HE1 TYR 54 HE2 TYR 54 9.398 9.980 -6.094
265 HE2 TYR 54 HE1 TYR 54 5.246 11.030 -6.070
266 HH TYR 54 HH TYR 54 6.164 9.389 -7.419
267 H ASP 55 H ASP 55 10.273 12.044 -0.133
268 HA ASP 55 HA ASP 55 9.589 14.389 1.588
269 HB2 ASP 55 1HB ASP 55 10.368 12.201 2.717
270 HB3 ASP 55 2HB ASP 55 11.814 12.453 1.707
271 H ARG 56 H ARG 56 10.014 16.185 0.492
272 HA ARG 56 HA ARG 56 12.439 16.322 -1.201
273 HB2 ARG 56 1HB ARG 56 10.201 17.162 -1.901
274 HB3 ARG 56 2HB ARG 56 10.457 18.496 -0.753
275 HG2 ARG 56 1HG ARG 56 12.480 19.164 -1.959
276 HG3 ARG 56 2HG ARG 56 12.264 17.808 -3.092
277 HD2 ARG 56 1HD ARG 56 11.528 19.706 -4.202
278 HD3 ARG 56 2HD ARG 56 10.060 18.841 -3.689
279 HE ARG 56 HE ARG 56 10.656 21.001 -1.800
280 HH11 ARG 56 1HH1 ARG 56 9.400 20.463 -5.008
281 HH12 ARG 56 2HH1 ARG 56 8.431 21.918 -4.879
282 HH21 ARG 56 1HH2 ARG 56 9.560 22.674 -1.641
283 HH22 ARG 56 2HH2 ARG 56 8.522 23.181 -2.959
284 H LYS 57 H LYS 57 14.226 17.443 -0.847
285 HA LYS 57 HA LYS 57 15.094 18.196 1.714
286 HB2 LYS 57 1HB LYS 57 16.555 17.954 -0.223
287 HB3 LYS 57 2HB LYS 57 15.835 19.408 -0.953
288 HG2 LYS 57 1HG LYS 57 16.715 20.788 0.863
289 HG3 LYS 57 2HG LYS 57 17.384 19.342 1.659
290 HD2 LYS 57 1HD LYS 57 18.852 18.945 -0.267
291 HD3 LYS 57 2HD LYS 57 18.168 20.367 -1.091
292 HE2 LYS 57 1HE LYS 57 18.994 21.817 0.706
293 HE3 LYS 57 2HE LYS 57 19.660 20.401 1.552
294 HZ1 LYS 57 3HZ LYS 57 20.495 21.358 -1.112
295 HZ2 LYS 57 1HZ LYS 57 21.344 21.557 0.289
296 HZ3 LYS 57 2HZ LYS 57 21.113 20.044 -0.328
297 H PHE 58 H PHE 58 13.345 20.149 -0.673
298 HA PHE 58 HA PHE 58 13.050 22.261 1.441
299 HB2 PHE 58 1HB PHE 58 12.832 22.513 -1.592
300 HB3 PHE 58 2HB PHE 58 12.614 23.829 -0.416
301 HD1 PHE 58 HD2 PHE 58 14.604 24.343 1.124
302 HD2 PHE 58 HD1 PHE 58 14.892 22.106 -2.505
303 HE1 PHE 58 HE2 PHE 58 17.021 24.852 1.004
304 HE2 PHE 58 HE1 PHE 58 17.309 22.610 -2.625
305 HZ PHE 58 HZ PHE 58 18.373 23.983 -0.870
306 H LEU 59 H LEU 59 11.493 19.923 1.514
307 HA LEU 59 HA LEU 59 8.989 20.176 0.164
308 HB2 LEU 59 1HB LEU 59 9.929 18.274 1.280
309 HB3 LEU 59 2HB LEU 59 9.507 18.883 2.897
310 HG LEU 59 HG LEU 59 7.094 18.993 2.065
311 HD11 LEU 59 1HD1 LEU 59 6.545 17.456 0.160
312 HD12 LEU 59 2HD1 LEU 59 7.608 18.783 -0.365
313 HD13 LEU 59 3HD1 LEU 59 8.283 17.161 -0.082
314 HD21 LEU 59 3HD2 LEU 59 7.856 17.313 3.638
315 HD22 LEU 59 1HD2 LEU 59 6.694 16.594 2.497
316 HD23 LEU 59 2HD2 LEU 59 8.438 16.287 2.304
317 H LEU 60 H LEU 60 7.140 21.187 0.533
318 HA LEU 60 HA LEU 60 7.198 23.604 2.075
319 HB2 LEU 60 1HB LEU 60 5.064 21.948 0.912
320 HB3 LEU 60 2HB LEU 60 4.638 23.534 1.597
321 HG LEU 60 HG LEU 60 6.512 23.038 -0.748
322 HD11 LEU 60 1HD1 LEU 60 4.717 24.161 -2.095
323 HD12 LEU 60 2HD1 LEU 60 4.112 22.678 -1.319
324 HD13 LEU 60 3HD1 LEU 60 3.710 24.270 -0.632
325 HD21 LEU 60 3HD2 LEU 60 7.194 24.960 0.562
326 HD22 LEU 60 1HD2 LEU 60 6.513 25.496 -0.993
327 HD23 LEU 60 2HD2 LEU 60 5.545 25.627 0.496
328 H ASP 61 H ASP 61 5.992 20.365 2.785
329 HA ASP 61 HA ASP 61 4.853 21.174 5.360
330 HB2 ASP 61 1HB ASP 61 4.102 19.093 3.963
331 HB3 ASP 61 2HB ASP 61 5.719 18.513 4.434
332 H ARG 62 H ARG 62 6.705 22.374 6.118
333 HA ARG 62 HA ARG 62 9.093 20.843 6.891
334 HB2 ARG 62 1HB ARG 62 8.260 23.642 7.503
335 HB3 ARG 62 2HB ARG 62 9.778 22.874 8.023
336 HG2 ARG 62 1HG ARG 62 10.467 22.590 5.706
337 HG3 ARG 62 2HG ARG 62 8.915 23.255 5.139
338 HD2 ARG 62 1HD ARG 62 10.908 24.773 6.786
339 HD3 ARG 62 2HD ARG 62 10.841 24.794 5.009
340 HE ARG 62 HE ARG 62 8.279 25.709 5.846
341 HH11 ARG 62 1HH1 ARG 62 11.558 26.724 6.459
342 HH12 ARG 62 2HH1 ARG 62 11.021 28.384 6.620
343 HH21 ARG 62 1HH2 ARG 62 7.647 27.604 6.036
344 HH22 ARG 62 2HH2 ARG 62 8.790 28.887 6.381
Start of MODEL 3
1 H2 PRO 18 1H PRO 18 -0.242 -0.677 -1.362
2 H3 PRO 18 2H PRO 18 -0.288 -0.816 0.131
3 HA PRO 18 HA PRO 18 2.089 -0.784 0.358
4 HB2 PRO 18 1HB PRO 18 2.421 -0.111 -2.561
5 HB3 PRO 18 2HB PRO 18 2.976 -1.550 -1.694
6 HG2 PRO 18 1HG PRO 18 0.916 -1.721 -3.403
7 HG3 PRO 18 2HG PRO 18 0.897 -2.646 -1.896
8 HD2 PRO 18 1HD PRO 18 -0.532 -0.021 -2.533
9 HD3 PRO 18 2HD PRO 18 -1.164 -1.449 -1.703
10 H THR 19 H THR 19 3.347 0.627 1.191
11 HA THR 19 HA THR 19 3.180 3.442 0.161
12 HB THR 19 HB THR 19 3.826 2.472 2.977
13 HG1 THR 19 HG1 THR 19 1.818 3.551 3.440
14 HG21 THR 19 3HG2 THR 19 3.552 5.280 1.832
15 HG22 THR 19 1HG2 THR 19 3.814 4.875 3.545
16 HG23 THR 19 2HG2 THR 19 5.073 4.509 2.341
17 H ARG 20 H ARG 20 4.883 4.270 -0.729
18 HA ARG 20 HA ARG 20 7.552 3.069 -0.057
19 HB2 ARG 20 1HB ARG 20 6.927 2.360 -2.223
20 HB3 ARG 20 2HB ARG 20 6.597 4.038 -2.713
21 HG2 ARG 20 1HG ARG 20 8.963 4.600 -2.432
22 HG3 ARG 20 2HG ARG 20 9.305 2.937 -1.899
23 HD2 ARG 20 1HD ARG 20 8.689 2.101 -4.070
24 HD3 ARG 20 2HD ARG 20 8.297 3.752 -4.607
25 HE ARG 20 HE ARG 20 11.091 3.742 -3.897
26 HH11 ARG 20 1HH1 ARG 20 9.038 2.187 -6.247
27 HH12 ARG 20 2HH1 ARG 20 10.376 2.116 -7.377
28 HH21 ARG 20 1HH2 ARG 20 12.635 3.660 -5.176
29 HH22 ARG 20 2HH2 ARG 20 12.429 2.954 -6.768
30 H THR 21 H THR 21 9.015 4.352 0.730
31 HA THR 21 HA THR 21 8.487 7.291 0.670
32 HB THR 21 HB THR 21 10.426 5.657 2.361
33 HG1 THR 21 HG1 THR 21 8.913 6.235 4.032
34 HG21 THR 21 3HG2 THR 21 9.653 8.600 2.471
35 HG22 THR 21 1HG2 THR 21 10.718 7.760 3.624
36 HG23 THR 21 2HG2 THR 21 11.221 7.957 1.928
37 H VAL 22 H VAL 22 9.462 8.532 -0.696
38 HA VAL 22 HA VAL 22 12.227 7.771 -1.627
39 HB VAL 22 HB VAL 22 9.985 9.026 -3.266
40 HG11 VAL 22 1HG1 VAL 22 11.619 8.935 -5.120
41 HG12 VAL 22 2HG1 VAL 22 12.210 9.965 -3.795
42 HG13 VAL 22 3HG1 VAL 22 12.856 8.319 -3.999
43 HG21 VAL 22 3HG2 VAL 22 9.659 6.643 -2.976
44 HG22 VAL 22 1HG2 VAL 22 10.144 7.016 -4.646
45 HG23 VAL 22 2HG2 VAL 22 11.328 6.330 -3.508
46 H ALA 23 H ALA 23 13.716 9.112 -1.150
47 HA ALA 23 HA ALA 23 13.026 11.827 -0.269
48 HB1 ALA 23 3HB ALA 23 15.715 10.452 -0.589
49 HB2 ALA 23 1HB ALA 23 15.442 12.038 0.168
50 HB3 ALA 23 2HB ALA 23 14.769 10.569 0.914
51 H ILE 24 H ILE 24 13.521 13.733 -1.236
52 HA ILE 24 HA ILE 24 14.430 13.563 -4.097
53 HB ILE 24 HB ILE 24 12.182 15.275 -2.939
54 HG12 ILE 24 1HG1 ILE 24 11.574 12.950 -3.269
55 HG13 ILE 24 2HG1 ILE 24 10.700 14.068 -4.340
56 HG21 ILE 24 1HG2 ILE 24 11.899 16.068 -5.263
57 HG22 ILE 24 2HG2 ILE 24 13.514 16.475 -4.641
58 HG23 ILE 24 3HG2 ILE 24 13.311 15.109 -5.763
59 HD11 ILE 24 3HD1 ILE 24 13.061 12.328 -5.132
60 HD12 ILE 24 1HD1 ILE 24 11.358 12.019 -5.540
61 HD13 ILE 24 2HD1 ILE 24 12.188 13.447 -6.204
62 H SER 25 H SER 25 16.018 14.754 -4.670
63 HA SER 25 HA SER 25 17.065 16.798 -2.711
64 HB2 SER 25 1HB SER 25 19.118 16.562 -3.703
65 HB3 SER 25 2HB SER 25 18.482 14.974 -3.219
66 HG SER 25 HG SER 25 18.475 16.056 -5.843
67 H ASP 26 H ASP 26 15.519 16.415 -5.797
68 HA ASP 26 HA ASP 26 15.573 19.299 -6.286
69 HB2 ASP 26 1HB ASP 26 17.838 18.173 -7.285
70 HB3 ASP 26 2HB ASP 26 16.596 17.608 -8.429
71 H ALA 27 H ALA 27 14.314 19.941 -8.129
72 HA ALA 27 HA ALA 27 11.866 18.438 -8.221
73 HB1 ALA 27 3HB ALA 27 12.824 20.729 -9.971
74 HB2 ALA 27 1HB ALA 27 11.154 20.126 -9.870
75 HB3 ALA 27 2HB ALA 27 11.914 20.881 -8.450
76 H ALA 28 H ALA 28 14.762 18.349 -10.108
77 HA ALA 28 HA ALA 28 13.740 17.167 -12.487
78 HB1 ALA 28 3HB ALA 28 16.405 16.715 -11.102
79 HB2 ALA 28 1HB ALA 28 16.020 16.278 -12.783
80 HB3 ALA 28 2HB ALA 28 16.044 17.988 -12.291
81 H GLN 29 H GLN 29 14.067 15.921 -9.278
82 HA GLN 29 HA GLN 29 13.931 13.106 -10.221
83 HB2 GLN 29 1HB GLN 29 14.107 14.308 -7.450
84 HB3 GLN 29 2HB GLN 29 14.122 12.569 -7.829
85 HG2 GLN 29 1HG GLN 29 16.460 13.029 -9.100
86 HG3 GLN 29 2HG GLN 29 15.954 14.664 -8.613
87 HE21 GLN 29 2HE2 GLN 29 18.453 13.467 -7.976
88 HE22 GLN 29 1HE2 GLN 29 18.530 13.274 -6.255
89 H LEU 30 H LEU 30 11.794 15.569 -9.633
90 HA LEU 30 HA LEU 30 9.706 13.885 -8.394
91 HB2 LEU 30 1HB LEU 30 9.845 16.616 -9.481
92 HB3 LEU 30 2HB LEU 30 8.312 16.041 -8.785
93 HG LEU 30 HG LEU 30 10.953 16.392 -7.313
94 HD11 LEU 30 1HD1 LEU 30 9.714 18.179 -6.063
95 HD12 LEU 30 2HD1 LEU 30 9.783 18.538 -7.804
96 HD13 LEU 30 3HD1 LEU 30 8.289 17.888 -7.088
97 HD21 LEU 30 3HD2 LEU 30 9.723 14.483 -6.467
98 HD22 LEU 30 1HD2 LEU 30 9.673 15.810 -5.282
99 HD23 LEU 30 2HD2 LEU 30 8.250 15.468 -6.297
100 HA PRO 31 HA PRO 31 7.809 12.492 -12.119
101 HB2 PRO 31 1HB PRO 31 5.201 12.848 -10.648
102 HB3 PRO 31 2HB PRO 31 5.895 11.363 -11.315
103 HG2 PRO 31 1HG PRO 31 5.838 11.740 -8.663
104 HG3 PRO 31 2HG PRO 31 7.243 10.975 -9.417
105 HD2 PRO 31 1HD PRO 31 6.927 13.871 -8.493
106 HD3 PRO 31 2HD PRO 31 8.292 12.777 -8.243
107 H HIS 32 H HIS 32 5.844 13.061 -13.486
108 HA HIS 32 HA HIS 32 5.712 16.049 -13.644
109 HB2 HIS 32 1HB HIS 32 5.378 13.893 -15.775
110 HB3 HIS 32 2HB HIS 32 4.996 15.612 -16.037
111 HD2 HIS 32 HD2 HIS 32 8.201 15.854 -14.057
112 HE1 HIS 32 HE1 HIS 32 9.345 15.222 -18.099
113 HE2 HIS 32 HE2 HIS 32 10.097 15.946 -15.686
114 H ASP 33 H ASP 33 4.008 13.594 -12.383
115 HA ASP 33 HA ASP 33 1.425 15.015 -12.831
116 HB2 ASP 33 1HB ASP 33 0.232 12.911 -13.333
117 HB3 ASP 33 2HB ASP 33 1.625 13.245 -14.391
118 H TYR 34 H TYR 34 3.529 14.572 -10.653
119 HA TYR 34 HA TYR 34 2.171 13.094 -8.561
120 HB2 TYR 34 1HB TYR 34 3.786 13.994 -7.097
121 HB3 TYR 34 2HB TYR 34 4.607 13.630 -8.634
122 HD1 TYR 34 HD1 TYR 34 3.193 16.398 -6.582
123 HD2 TYR 34 HD2 TYR 34 5.731 15.340 -9.840
124 HE1 TYR 34 HE1 TYR 34 4.022 18.731 -6.684
125 HE2 TYR 34 HE2 TYR 34 6.570 17.662 -9.956
126 HH TYR 34 HH TYR 34 6.461 19.759 -9.075
127 H CYS 35 H CYS 35 1.395 14.023 -6.550
128 HA CYS 35 HA CYS 35 -0.064 16.655 -6.956
129 HB2 CYS 35 1HB CYS 35 -0.858 14.031 -5.615
130 HB3 CYS 35 2HB CYS 35 -1.849 15.510 -5.666
131 HG CYS 35 HG CYS 35 -2.843 13.721 -7.168
132 H THR 36 H THR 36 -0.684 17.638 -4.866
133 HA THR 36 HA THR 36 1.197 17.004 -2.632
134 HB THR 36 HB THR 36 0.672 19.802 -3.717
135 HG1 THR 36 HG1 THR 36 2.936 19.674 -4.239
136 HG21 THR 36 3HG2 THR 36 2.479 18.797 -1.483
137 HG22 THR 36 1HG2 THR 36 2.367 20.478 -2.054
138 HG23 THR 36 2HG2 THR 36 0.968 19.710 -1.266
139 H TPO 37 H TPO 37 0.401 17.127 -0.660
140 HA TPO 37 HA TPO 37 -2.506 17.609 -0.423
141 HB TPO 37 HB TPO 37 -2.324 16.668 1.779
142 HG21 TPO 37 1HG2 TPO 37 -1.211 14.505 1.348
143 HG22 TPO 37 2HG2 TPO 37 -2.156 15.031 -0.066
144 HG23 TPO 37 3HG2 TPO 37 -0.386 15.210 -0.061
145 HA PRO 38 HA PRO 38 -2.644 21.592 1.233
146 HB2 PRO 38 1HB PRO 38 -3.972 20.424 3.717
147 HB3 PRO 38 2HB PRO 38 -4.544 21.732 2.672
148 HG2 PRO 38 1HG PRO 38 -5.679 19.328 2.489
149 HG3 PRO 38 2HG PRO 38 -5.342 20.241 1.011
150 HD2 PRO 38 1HD PRO 38 -3.819 17.880 2.178
151 HD3 PRO 38 2HD PRO 38 -4.169 18.248 0.485
152 H GLY 39 H GLY 39 -1.479 19.049 3.369
153 HA2 GLY 39 1HA GLY 39 -0.240 20.827 5.264
154 HA3 GLY 39 2HA GLY 39 0.132 19.104 5.032
155 H GLY 40 H GLY 40 0.676 19.581 2.125
156 HA2 GLY 40 1HA GLY 40 2.268 20.802 0.789
157 HA3 GLY 40 2HA GLY 40 3.129 21.266 2.276
158 H THR 41 H THR 41 1.945 18.023 1.465
159 HA THR 41 HA THR 41 4.794 17.134 1.138
160 HB THR 41 HB THR 41 2.413 15.548 2.187
161 HG1 THR 41 HG1 THR 41 3.057 16.559 3.955
162 HG21 THR 41 3HG2 THR 41 5.344 14.792 1.861
163 HG22 THR 41 1HG2 THR 41 4.087 13.783 2.614
164 HG23 THR 41 2HG2 THR 41 3.995 14.172 0.880
165 H LEU 42 H LEU 42 5.395 16.227 -0.666
166 HA LEU 42 HA LEU 42 3.410 15.987 -2.829
167 HB2 LEU 42 1HB LEU 42 6.284 15.929 -2.459
168 HB3 LEU 42 2HB LEU 42 5.750 15.141 -3.961
169 HG LEU 42 HG LEU 42 4.536 17.305 -4.518
170 HD11 LEU 42 1HD1 LEU 42 5.393 19.366 -3.372
171 HD12 LEU 42 2HD1 LEU 42 4.580 18.279 -2.223
172 HD13 LEU 42 3HD1 LEU 42 6.358 18.341 -2.284
173 HD21 LEU 42 3HD2 LEU 42 6.595 16.660 -5.624
174 HD22 LEU 42 1HD2 LEU 42 6.575 18.419 -5.357
175 HD23 LEU 42 2HD2 LEU 42 7.559 17.369 -4.308
176 H PHE 43 H PHE 43 2.808 14.203 -3.927
177 HA PHE 43 HA PHE 43 3.959 11.580 -3.245
178 HB2 PHE 43 1HB PHE 43 1.878 10.580 -2.479
179 HB3 PHE 43 2HB PHE 43 2.230 11.982 -1.444
180 HD1 PHE 43 HD2 PHE 43 0.982 14.094 -1.773
181 HD2 PHE 43 HD1 PHE 43 -0.076 10.460 -3.755
182 HE1 PHE 43 HE2 PHE 43 -1.270 15.004 -2.234
183 HE2 PHE 43 HE1 PHE 43 -2.329 11.368 -4.220
184 HZ PHE 43 HZ PHE 43 -2.925 13.640 -3.460
185 H SER 44 H SER 44 3.135 9.847 -4.562
186 HA SER 44 HA SER 44 1.367 10.616 -6.870
187 HB2 SER 44 1HB SER 44 2.747 9.930 -8.516
188 HB3 SER 44 2HB SER 44 3.617 11.138 -7.542
189 HG SER 44 HG SER 44 3.930 8.324 -7.367
190 H THR 45 H THR 45 0.812 8.673 -8.152
191 HA THR 45 HA THR 45 1.111 6.094 -6.680
192 HB THR 45 HB THR 45 -1.538 7.159 -7.744
193 HG1 THR 45 HG1 THR 45 -1.144 8.145 -5.791
194 HG21 THR 45 3HG2 THR 45 -0.831 4.600 -6.253
195 HG22 THR 45 1HG2 THR 45 -2.469 5.113 -6.720
196 HG23 THR 45 2HG2 THR 45 -1.270 4.713 -7.973
197 H TPO 46 H TPO 46 1.572 4.429 -7.891
198 HA TPO 46 HA TPO 46 1.628 4.870 -10.840
199 HB TPO 46 HB TPO 46 3.217 3.087 -10.957
200 HG21 TPO 46 1HG2 TPO 46 4.986 3.801 -9.389
201 HG22 TPO 46 2HG2 TPO 46 4.137 5.205 -10.079
202 HG23 TPO 46 3HG2 TPO 46 3.776 4.675 -8.421
203 HA PRO 47 HA PRO 47 -1.575 2.265 -11.997
204 HB2 PRO 47 1HB PRO 47 0.417 0.565 -13.559
205 HB3 PRO 47 2HB PRO 47 -1.064 1.339 -14.139
206 HG2 PRO 47 1HG PRO 47 1.293 2.411 -14.764
207 HG3 PRO 47 2HG PRO 47 -0.046 3.473 -14.311
208 HD2 PRO 47 1HD PRO 47 2.360 2.631 -12.651
209 HD3 PRO 47 2HD PRO 47 1.550 4.201 -12.715
210 H GLY 48 H GLY 48 1.309 0.688 -10.774
211 HA2 GLY 48 1HA GLY 48 0.135 -1.888 -10.349
212 HA3 GLY 48 2HA GLY 48 1.554 -1.229 -9.503
213 H GLY 49 H GLY 49 -0.058 1.143 -8.617
214 HA2 GLY 49 1HA GLY 49 -2.054 1.460 -7.223
215 HA3 GLY 49 2HA GLY 49 -1.843 -0.204 -6.630
216 H THR 50 H THR 50 1.212 0.787 -6.827
217 HA THR 50 HA THR 50 1.498 1.200 -3.976
218 HB THR 50 HB THR 50 3.496 1.680 -6.228
219 HG1 THR 50 HG1 THR 50 3.372 -0.443 -6.282
220 HG21 THR 50 3HG2 THR 50 3.891 1.312 -3.231
221 HG22 THR 50 1HG2 THR 50 5.187 1.465 -4.440
222 HG23 THR 50 2HG2 THR 50 4.095 2.836 -4.127
223 H ARG 51 H ARG 51 1.502 2.925 -2.769
224 HA ARG 51 HA ARG 51 1.311 5.581 -4.126
225 HB2 ARG 51 1HB ARG 51 0.619 4.779 -1.335
226 HB3 ARG 51 2HB ARG 51 0.556 6.429 -1.998
227 HG2 ARG 51 1HG ARG 51 -1.177 5.799 -3.556
228 HG3 ARG 51 2HG ARG 51 -1.035 4.088 -3.084
229 HD2 ARG 51 1HD ARG 51 -1.822 4.660 -0.855
230 HD3 ARG 51 2HD ARG 51 -2.010 6.352 -1.372
231 HE ARG 51 HE ARG 51 -3.692 4.688 -3.060
232 HH11 ARG 51 1HH1 ARG 51 -3.510 5.755 0.254
233 HH12 ARG 51 2HH1 ARG 51 -5.254 5.657 0.388
234 HH21 ARG 51 1HH2 ARG 51 -5.690 4.562 -2.920
235 HH22 ARG 51 2HH2 ARG 51 -6.499 4.976 -1.421
236 H ILE 52 H ILE 52 3.000 6.801 -4.293
237 HA ILE 52 HA ILE 52 5.318 6.292 -2.454
238 HB ILE 52 HB ILE 52 5.189 7.698 -5.162
239 HG12 ILE 52 1HG1 ILE 52 6.454 5.068 -4.448
240 HG13 ILE 52 2HG1 ILE 52 4.851 5.251 -5.196
241 HG21 ILE 52 1HG2 ILE 52 7.655 7.715 -5.005
242 HG22 ILE 52 2HG2 ILE 52 6.923 8.632 -3.668
243 HG23 ILE 52 3HG2 ILE 52 7.557 6.995 -3.380
244 HD11 ILE 52 3HD1 ILE 52 7.488 6.173 -6.392
245 HD12 ILE 52 1HD1 ILE 52 6.568 4.734 -6.886
246 HD13 ILE 52 2HD1 ILE 52 5.884 6.357 -7.141
247 H ILE 53 H ILE 53 5.709 7.554 -0.878
248 HA ILE 53 HA ILE 53 4.730 10.387 -1.019
249 HB ILE 53 HB ILE 53 5.733 8.729 1.342
250 HG12 ILE 53 1HG1 ILE 53 2.960 9.733 0.767
251 HG13 ILE 53 2HG1 ILE 53 3.536 8.088 0.409
252 HG21 ILE 53 1HG2 ILE 53 4.992 10.651 2.706
253 HG22 ILE 53 2HG2 ILE 53 6.265 11.134 1.561
254 HG23 ILE 53 3HG2 ILE 53 4.567 11.541 1.225
255 HD11 ILE 53 3HD1 ILE 53 3.413 9.371 3.161
256 HD12 ILE 53 1HD1 ILE 53 2.283 8.152 2.529
257 HD13 ILE 53 2HD1 ILE 53 3.989 7.726 2.804
258 H TYR 54 H TYR 54 5.973 12.022 -1.306
259 HA TYR 54 HA TYR 54 8.884 11.410 -1.609
260 HB2 TYR 54 1HB TYR 54 7.146 13.620 -2.724
261 HB3 TYR 54 2HB TYR 54 8.906 13.485 -2.960
262 HD1 TYR 54 HD2 TYR 54 9.791 11.404 -4.154
263 HD2 TYR 54 HD1 TYR 54 5.665 12.480 -4.167
264 HE1 TYR 54 HE2 TYR 54 9.429 9.951 -6.121
265 HE2 TYR 54 HE1 TYR 54 5.284 11.029 -6.138
266 HH TYR 54 HH TYR 54 6.197 9.433 -7.512
267 H ASP 55 H ASP 55 10.267 12.069 -0.182
268 HA ASP 55 HA ASP 55 9.570 14.430 1.518
269 HB2 ASP 55 1HB ASP 55 10.317 12.245 2.679
270 HB3 ASP 55 2HB ASP 55 11.779 12.479 1.692
271 H ARG 56 H ARG 56 10.007 16.187 0.346
272 HA ARG 56 HA ARG 56 12.477 16.307 -1.267
273 HB2 ARG 56 1HB ARG 56 10.250 17.190 -1.985
274 HB3 ARG 56 2HB ARG 56 10.542 18.525 -0.846
275 HG2 ARG 56 1HG ARG 56 12.595 19.115 -2.049
276 HG3 ARG 56 2HG ARG 56 12.328 17.765 -3.179
277 HD2 ARG 56 1HD ARG 56 11.656 19.674 -4.300
278 HD3 ARG 56 2HD ARG 56 10.156 18.880 -3.767
279 HE ARG 56 HE ARG 56 10.810 20.998 -1.879
280 HH11 ARG 56 1HH1 ARG 56 9.720 20.611 -5.168
281 HH12 ARG 56 2HH1 ARG 56 8.864 22.137 -5.071
282 HH21 ARG 56 1HH2 ARG 56 9.842 22.752 -1.755
283 HH22 ARG 56 2HH2 ARG 56 8.934 23.359 -3.125
284 H LYS 57 H LYS 57 14.267 17.427 -0.891
285 HA LYS 57 HA LYS 57 15.104 18.170 1.687
286 HB2 LYS 57 1HB LYS 57 16.596 17.926 -0.225
287 HB3 LYS 57 2HB LYS 57 15.885 19.375 -0.974
288 HG2 LYS 57 1HG LYS 57 16.735 20.765 0.849
289 HG3 LYS 57 2HG LYS 57 17.396 19.326 1.659
290 HD2 LYS 57 1HD LYS 57 18.895 18.924 -0.239
291 HD3 LYS 57 2HD LYS 57 18.214 20.334 -1.087
292 HE2 LYS 57 1HE LYS 57 19.006 21.807 0.705
293 HE3 LYS 57 2HE LYS 57 19.667 20.405 1.576
294 HZ1 LYS 57 3HZ LYS 57 20.536 21.337 -1.084
295 HZ2 LYS 57 1HZ LYS 57 21.363 21.556 0.325
296 HZ3 LYS 57 2HZ LYS 57 21.150 20.036 -0.278
297 H PHE 58 H PHE 58 13.386 20.124 -0.720
298 HA PHE 58 HA PHE 58 13.114 22.265 1.366
299 HB2 PHE 58 1HB PHE 58 12.843 22.464 -1.665
300 HB3 PHE 58 2HB PHE 58 12.665 23.802 -0.508
301 HD1 PHE 58 HD2 PHE 58 14.688 24.333 0.972
302 HD2 PHE 58 HD1 PHE 58 14.883 22.006 -2.605
303 HE1 PHE 58 HE2 PHE 58 17.107 24.813 0.795
304 HE2 PHE 58 HE1 PHE 58 17.302 22.481 -2.784
305 HZ PHE 58 HZ PHE 58 18.415 23.884 -1.084
306 H LEU 59 H LEU 59 11.547 19.909 1.461
307 HA LEU 59 HA LEU 59 8.999 20.258 0.185
308 HB2 LEU 59 1HB LEU 59 9.939 18.272 1.125
309 HB3 LEU 59 2HB LEU 59 9.620 18.778 2.800
310 HG LEU 59 HG LEU 59 7.168 18.990 2.114
311 HD11 LEU 59 1HD1 LEU 59 6.481 17.599 0.143
312 HD12 LEU 59 2HD1 LEU 59 7.543 18.938 -0.350
313 HD13 LEU 59 3HD1 LEU 59 8.196 17.288 -0.216
314 HD21 LEU 59 3HD2 LEU 59 7.977 17.191 3.523
315 HD22 LEU 59 1HD2 LEU 59 6.738 16.575 2.403
316 HD23 LEU 59 2HD2 LEU 59 8.461 16.249 2.093
317 H LEU 60 H LEU 60 7.190 21.281 0.682
318 HA LEU 60 HA LEU 60 7.267 23.570 2.373
319 HB2 LEU 60 1HB LEU 60 5.113 21.882 1.296
320 HB3 LEU 60 2HB LEU 60 4.669 23.391 2.127
321 HG LEU 60 HG LEU 60 6.362 23.168 -0.392
322 HD11 LEU 60 1HD1 LEU 60 4.399 24.259 -1.510
323 HD12 LEU 60 2HD1 LEU 60 3.948 22.694 -0.797
324 HD13 LEU 60 3HD1 LEU 60 3.513 24.207 0.031
325 HD21 LEU 60 3HD2 LEU 60 7.036 25.039 0.995
326 HD22 LEU 60 1HD2 LEU 60 6.200 25.632 -0.459
327 HD23 LEU 60 2HD2 LEU 60 5.351 25.602 1.106
328 H ASP 61 H ASP 61 5.884 20.338 2.970
329 HA ASP 61 HA ASP 61 5.274 20.973 5.757
330 HB2 ASP 61 1HB ASP 61 4.085 19.130 4.347
331 HB3 ASP 61 2HB ASP 61 5.688 18.361 4.454
332 H ARG 62 H ARG 62 7.248 21.874 6.458
333 HA ARG 62 HA ARG 62 9.616 20.139 6.606
334 HB2 ARG 62 1HB ARG 62 9.055 22.818 7.795
335 HB3 ARG 62 2HB ARG 62 10.578 21.912 7.949
336 HG2 ARG 62 1HG ARG 62 10.919 22.012 5.541
337 HG3 ARG 62 2HG ARG 62 9.352 22.830 5.331
338 HD2 ARG 62 1HD ARG 62 11.649 23.950 6.900
339 HD3 ARG 62 2HD ARG 62 11.341 24.286 5.180
340 HE ARG 62 HE ARG 62 8.983 25.145 6.525
341 HH11 ARG 62 1HH1 ARG 62 12.376 25.900 6.811
342 HH12 ARG 62 2HH1 ARG 62 11.976 27.527 7.326
343 HH21 ARG 62 1HH2 ARG 62 8.510 27.001 7.121
344 HH22 ARG 62 2HH2 ARG 62 9.772 28.157 7.505
Start of MODEL 4
1 H2 PRO 18 1H PRO 18 0.073 -1.352 -1.615
2 H3 PRO 18 2H PRO 18 -0.587 -1.132 -0.286
3 HA PRO 18 HA PRO 18 1.487 -0.942 0.883
4 HB2 PRO 18 1HB PRO 18 3.438 -1.184 -1.033
5 HB3 PRO 18 2HB PRO 18 2.433 -2.577 -0.611
6 HG2 PRO 18 1HG PRO 18 2.158 -0.669 -2.957
7 HG3 PRO 18 2HG PRO 18 2.060 -2.434 -2.945
8 HD2 PRO 18 1HD PRO 18 -0.197 -0.859 -2.930
9 HD3 PRO 18 2HD PRO 18 -0.165 -2.438 -2.137
10 H THR 19 H THR 19 3.127 0.434 1.441
11 HA THR 19 HA THR 19 2.981 3.103 0.073
12 HB THR 19 HB THR 19 3.318 2.548 3.051
13 HG1 THR 19 HG1 THR 19 1.242 3.595 3.139
14 HG21 THR 19 3HG2 THR 19 3.100 5.157 1.498
15 HG22 THR 19 1HG2 THR 19 3.178 5.004 3.268
16 HG23 THR 19 2HG2 THR 19 4.574 4.528 2.271
17 H ARG 20 H ARG 20 4.785 4.117 -0.429
18 HA ARG 20 HA ARG 20 7.360 2.960 0.576
19 HB2 ARG 20 1HB ARG 20 6.793 3.718 -2.255
20 HB3 ARG 20 2HB ARG 20 8.371 3.267 -1.567
21 HG2 ARG 20 1HG ARG 20 5.949 1.445 -1.583
22 HG3 ARG 20 2HG ARG 20 7.200 1.440 -2.848
23 HD2 ARG 20 1HD ARG 20 8.866 0.876 -1.170
24 HD3 ARG 20 2HD ARG 20 7.586 0.831 0.065
25 HE ARG 20 HE ARG 20 8.022 -1.321 -1.968
26 HH11 ARG 20 1HH1 ARG 20 6.005 -0.042 0.574
27 HH12 ARG 20 2HH1 ARG 20 5.196 -1.590 0.719
28 HH21 ARG 20 1HH2 ARG 20 7.111 -3.102 -1.808
29 HH22 ARG 20 2HH2 ARG 20 5.827 -3.336 -0.637
30 H THR 21 H THR 21 9.194 4.366 0.414
31 HA THR 21 HA THR 21 8.426 7.265 0.443
32 HB THR 21 HB THR 21 10.362 5.868 2.338
33 HG1 THR 21 HG1 THR 21 8.765 6.507 3.904
34 HG21 THR 21 3HG2 THR 21 9.445 8.766 2.168
35 HG22 THR 21 1HG2 THR 21 10.506 8.082 3.422
36 HG23 THR 21 2HG2 THR 21 11.060 8.159 1.731
37 H VAL 22 H VAL 22 9.476 8.473 -0.902
38 HA VAL 22 HA VAL 22 12.264 7.671 -1.708
39 HB VAL 22 HB VAL 22 10.051 8.723 -3.521
40 HG11 VAL 22 1HG1 VAL 22 11.752 8.534 -5.306
41 HG12 VAL 22 2HG1 VAL 22 12.266 9.687 -4.051
42 HG13 VAL 22 3HG1 VAL 22 12.966 8.051 -4.098
43 HG21 VAL 22 3HG2 VAL 22 9.785 6.363 -3.044
44 HG22 VAL 22 1HG2 VAL 22 10.318 6.613 -4.723
45 HG23 VAL 22 2HG2 VAL 22 11.481 6.061 -3.494
46 H ALA 23 H ALA 23 13.748 9.114 -1.562
47 HA ALA 23 HA ALA 23 12.953 11.829 -0.719
48 HB1 ALA 23 3HB ALA 23 15.689 10.535 -0.982
49 HB2 ALA 23 1HB ALA 23 15.360 12.141 -0.292
50 HB3 ALA 23 2HB ALA 23 14.738 10.682 0.514
51 H ILE 24 H ILE 24 13.500 13.725 -1.730
52 HA ILE 24 HA ILE 24 14.523 13.471 -4.547
53 HB ILE 24 HB ILE 24 12.387 15.390 -3.508
54 HG12 ILE 24 1HG1 ILE 24 12.132 13.101 -5.441
55 HG13 ILE 24 2HG1 ILE 24 11.613 13.085 -3.738
56 HG21 ILE 24 1HG2 ILE 24 12.210 16.077 -5.876
57 HG22 ILE 24 2HG2 ILE 24 13.846 16.375 -5.244
58 HG23 ILE 24 3HG2 ILE 24 13.541 14.973 -6.296
59 HD11 ILE 24 3HD1 ILE 24 10.535 14.918 -5.910
60 HD12 ILE 24 1HD1 ILE 24 9.707 13.491 -5.246
61 HD13 ILE 24 2HD1 ILE 24 10.017 14.903 -4.208
62 H SER 25 H SER 25 16.575 13.963 -4.235
63 HA SER 25 HA SER 25 17.385 16.216 -2.474
64 HB2 SER 25 1HB SER 25 19.535 15.593 -2.855
65 HB3 SER 25 2HB SER 25 18.566 14.142 -2.510
66 HG SER 25 HG SER 25 19.488 15.031 -5.039
67 H ASP 26 H ASP 26 16.497 15.726 -5.781
68 HA ASP 26 HA ASP 26 17.273 18.471 -6.487
69 HB2 ASP 26 1HB ASP 26 19.329 16.740 -6.935
70 HB3 ASP 26 2HB ASP 26 18.193 16.341 -8.247
71 H ALA 27 H ALA 27 16.596 19.066 -8.669
72 HA ALA 27 HA ALA 27 13.891 18.242 -9.110
73 HB1 ALA 27 3HB ALA 27 15.793 19.734 -10.949
74 HB2 ALA 27 1HB ALA 27 14.029 19.624 -11.146
75 HB3 ALA 27 2HB ALA 27 14.715 20.466 -9.737
76 H ALA 28 H ALA 28 16.941 17.074 -10.337
77 HA ALA 28 HA ALA 28 15.985 15.565 -12.548
78 HB1 ALA 28 3HB ALA 28 18.228 14.916 -10.605
79 HB2 ALA 28 1HB ALA 28 17.978 14.159 -12.196
80 HB3 ALA 28 2HB ALA 28 18.373 15.891 -12.086
81 H GLN 29 H GLN 29 15.686 15.059 -9.110
82 HA GLN 29 HA GLN 29 14.707 12.279 -9.548
83 HB2 GLN 29 1HB GLN 29 15.177 13.859 -7.011
84 HB3 GLN 29 2HB GLN 29 14.686 12.153 -7.106
85 HG2 GLN 29 1HG GLN 29 17.091 11.682 -8.233
86 HG3 GLN 29 2HG GLN 29 17.081 13.453 -8.068
87 HE21 GLN 29 2HE2 GLN 29 19.211 12.331 -7.032
88 HE22 GLN 29 1HE2 GLN 29 19.132 12.213 -5.305
89 H LEU 30 H LEU 30 13.474 15.345 -9.602
90 HA LEU 30 HA LEU 30 10.982 14.865 -8.168
91 HB2 LEU 30 1HB LEU 30 12.012 16.970 -8.535
92 HB3 LEU 30 2HB LEU 30 11.654 16.990 -10.277
93 HG LEU 30 HG LEU 30 9.192 16.720 -9.602
94 HD11 LEU 30 1HD1 LEU 30 8.628 17.587 -7.316
95 HD12 LEU 30 2HD1 LEU 30 9.611 16.107 -7.223
96 HD13 LEU 30 3HD1 LEU 30 10.364 17.695 -6.946
97 HD21 LEU 30 3HD2 LEU 30 10.089 18.776 -10.523
98 HD22 LEU 30 1HD2 LEU 30 8.911 19.149 -9.242
99 HD23 LEU 30 2HD2 LEU 30 10.656 19.284 -8.915
100 HA PRO 31 HA PRO 31 9.052 12.384 -11.302
101 HB2 PRO 31 1HB PRO 31 6.622 13.020 -9.618
102 HB3 PRO 31 2HB PRO 31 7.263 11.436 -10.073
103 HG2 PRO 31 1HG PRO 31 7.541 12.311 -7.559
104 HG3 PRO 31 2HG PRO 31 8.861 11.426 -8.334
105 HD2 PRO 31 1HD PRO 31 8.580 14.437 -7.916
106 HD3 PRO 31 2HD PRO 31 10.008 13.418 -7.691
107 H HIS 32 H HIS 32 6.925 12.600 -12.516
108 HA HIS 32 HA HIS 32 6.585 15.494 -13.235
109 HB2 HIS 32 1HB HIS 32 6.662 13.106 -15.136
110 HB3 HIS 32 2HB HIS 32 6.371 14.801 -15.593
111 HD1 HIS 32 HD1 HIS 32 8.451 16.472 -15.014
112 HD2 HIS 32 HD2 HIS 32 9.386 12.366 -15.200
113 HE1 HIS 32 HE1 HIS 32 10.861 16.346 -15.397
114 H ASP 33 H ASP 33 5.111 12.871 -11.926
115 HA ASP 33 HA ASP 33 2.431 13.875 -12.814
116 HB2 ASP 33 1HB ASP 33 1.571 11.576 -12.940
117 HB3 ASP 33 2HB ASP 33 3.063 11.837 -13.878
118 H TYR 34 H TYR 34 4.375 14.120 -10.405
119 HA TYR 34 HA TYR 34 2.948 12.866 -8.201
120 HB2 TYR 34 1HB TYR 34 4.434 14.020 -6.790
121 HB3 TYR 34 2HB TYR 34 5.369 13.512 -8.218
122 HD1 TYR 34 HD1 TYR 34 3.718 16.429 -6.601
123 HD2 TYR 34 HD2 TYR 34 6.459 15.119 -9.592
124 HE1 TYR 34 HE1 TYR 34 4.440 18.772 -6.953
125 HE2 TYR 34 HE2 TYR 34 7.191 17.452 -9.958
126 HH TYR 34 HH TYR 34 5.804 20.175 -8.108
127 H CYS 35 H CYS 35 1.875 13.936 -6.471
128 HA CYS 35 HA CYS 35 0.624 16.606 -7.196
129 HB2 CYS 35 1HB CYS 35 -0.504 14.078 -5.914
130 HB3 CYS 35 2HB CYS 35 -1.379 15.620 -6.074
131 HG CYS 35 HG CYS 35 -2.322 13.892 -7.677
132 H THR 36 H THR 36 0.059 17.901 -5.380
133 HA THR 36 HA THR 36 1.627 17.259 -2.901
134 HB THR 36 HB THR 36 1.214 19.995 -4.180
135 HG1 THR 36 HG1 THR 36 3.513 19.825 -4.500
136 HG21 THR 36 3HG2 THR 36 2.818 19.121 -1.743
137 HG22 THR 36 1HG2 THR 36 2.771 20.765 -2.423
138 HG23 THR 36 2HG2 THR 36 1.303 20.054 -1.711
139 H TPO 37 H TPO 37 0.638 17.341 -1.040
140 HA TPO 37 HA TPO 37 -2.242 17.996 -1.022
141 HB TPO 37 HB TPO 37 -2.278 17.057 1.191
142 HG21 TPO 37 1HG2 TPO 37 -1.284 14.824 0.830
143 HG22 TPO 37 2HG2 TPO 37 -2.094 15.410 -0.642
144 HG23 TPO 37 3HG2 TPO 37 -0.320 15.471 -0.518
145 HA PRO 38 HA PRO 38 -2.285 21.978 0.656
146 HB2 PRO 38 1HB PRO 38 -3.834 20.870 3.038
147 HB3 PRO 38 2HB PRO 38 -4.266 22.212 1.968
148 HG2 PRO 38 1HG PRO 38 -5.512 19.874 1.691
149 HG3 PRO 38 2HG PRO 38 -5.032 20.774 0.247
150 HD2 PRO 38 1HD PRO 38 -3.716 18.330 1.489
151 HD3 PRO 38 2HD PRO 38 -3.933 18.725 -0.220
152 H GLY 39 H GLY 39 -1.411 19.367 2.849
153 HA2 GLY 39 1HA GLY 39 -0.141 21.050 4.806
154 HA3 GLY 39 2HA GLY 39 0.144 19.311 4.564
155 H GLY 40 H GLY 40 0.879 19.653 1.737
156 HA2 GLY 40 1HA GLY 40 2.559 20.837 0.445
157 HA3 GLY 40 2HA GLY 40 3.385 21.260 1.963
158 H THR 41 H THR 41 2.069 18.082 1.105
159 HA THR 41 HA THR 41 4.879 17.032 0.965
160 HB THR 41 HB THR 41 2.366 15.603 1.929
161 HG1 THR 41 HG1 THR 41 2.945 16.588 3.723
162 HG21 THR 41 3HG2 THR 41 5.270 14.701 1.802
163 HG22 THR 41 1HG2 THR 41 3.926 13.779 2.512
164 HG23 THR 41 2HG2 THR 41 3.953 14.110 0.763
165 H LEU 42 H LEU 42 5.513 15.929 -0.728
166 HA LEU 42 HA LEU 42 3.654 15.742 -3.011
167 HB2 LEU 42 1HB LEU 42 6.482 15.499 -2.444
168 HB3 LEU 42 2HB LEU 42 5.994 14.628 -3.916
169 HG LEU 42 HG LEU 42 4.966 16.828 -4.704
170 HD11 LEU 42 1HD1 LEU 42 5.941 18.899 -3.679
171 HD12 LEU 42 2HD1 LEU 42 4.989 17.977 -2.491
172 HD13 LEU 42 3HD1 LEU 42 6.767 17.893 -2.467
173 HD21 LEU 42 3HD2 LEU 42 7.010 15.934 -5.651
174 HD22 LEU 42 1HD2 LEU 42 7.126 17.705 -5.521
175 HD23 LEU 42 2HD2 LEU 42 7.971 16.668 -4.346
176 H PHE 43 H PHE 43 2.888 13.971 -3.984
177 HA PHE 43 HA PHE 43 3.845 11.304 -3.161
178 HB2 PHE 43 1HB PHE 43 1.687 10.474 -2.450
179 HB3 PHE 43 2HB PHE 43 2.032 11.930 -1.490
180 HD1 PHE 43 HD2 PHE 43 0.881 14.045 -1.999
181 HD2 PHE 43 HD1 PHE 43 -0.159 10.361 -3.896
182 HE1 PHE 43 HE2 PHE 43 -1.292 15.009 -2.675
183 HE2 PHE 43 HE1 PHE 43 -2.332 11.323 -4.577
184 HZ PHE 43 HZ PHE 43 -2.898 13.648 -3.966
185 H SER 44 H SER 44 3.256 9.633 -4.541
186 HA SER 44 HA SER 44 1.518 10.277 -6.910
187 HB2 SER 44 1HB SER 44 3.668 10.989 -7.577
188 HB3 SER 44 2HB SER 44 4.314 9.367 -7.237
189 HG SER 44 HG SER 44 3.433 10.036 -9.471
190 H THR 45 H THR 45 0.392 8.536 -7.576
191 HA THR 45 HA THR 45 1.109 5.877 -6.380
192 HB THR 45 HB THR 45 -1.633 6.911 -7.218
193 HG1 THR 45 HG1 THR 45 -0.841 7.804 -5.233
194 HG21 THR 45 3HG2 THR 45 -0.778 4.316 -5.875
195 HG22 THR 45 1HG2 THR 45 -2.455 4.818 -6.196
196 HG23 THR 45 2HG2 THR 45 -1.352 4.479 -7.551
197 H TPO 46 H TPO 46 1.629 4.291 -7.653
198 HA TPO 46 HA TPO 46 1.553 4.795 -10.575
199 HB TPO 46 HB TPO 46 3.109 2.988 -10.784
200 HG21 TPO 46 1HG2 TPO 46 4.918 3.631 -9.230
201 HG22 TPO 46 2HG2 TPO 46 4.076 5.066 -9.861
202 HG23 TPO 46 3HG2 TPO 46 3.738 4.490 -8.212
203 HA PRO 47 HA PRO 47 -1.700 2.271 -11.785
204 HB2 PRO 47 1HB PRO 47 0.248 0.620 -13.451
205 HB3 PRO 47 2HB PRO 47 -1.233 1.435 -13.972
206 HG2 PRO 47 1HG PRO 47 1.126 2.506 -14.590
207 HG3 PRO 47 2HG PRO 47 -0.194 3.563 -14.070
208 HD2 PRO 47 1HD PRO 47 2.228 2.624 -12.487
209 HD3 PRO 47 2HD PRO 47 1.438 4.206 -12.473
210 H GLY 48 H GLY 48 1.188 0.624 -10.673
211 HA2 GLY 48 1HA GLY 48 0.001 -1.957 -10.328
212 HA3 GLY 48 2HA GLY 48 1.435 -1.339 -9.478
213 H GLY 49 H GLY 49 -0.129 1.006 -8.470
214 HA2 GLY 49 1HA GLY 49 -2.090 1.319 -7.043
215 HA3 GLY 49 2HA GLY 49 -1.954 -0.385 -6.553
216 H THR 50 H THR 50 1.112 0.922 -6.816
217 HA THR 50 HA THR 50 1.416 1.016 -3.888
218 HB THR 50 HB THR 50 3.438 1.491 -6.121
219 HG1 THR 50 HG1 THR 50 3.274 -0.622 -6.230
220 HG21 THR 50 3HG2 THR 50 3.813 1.028 -3.135
221 HG22 THR 50 1HG2 THR 50 5.117 1.165 -4.338
222 HG23 THR 50 2HG2 THR 50 4.076 2.567 -3.988
223 H ARG 51 H ARG 51 1.475 2.693 -2.619
224 HA ARG 51 HA ARG 51 1.273 5.392 -3.885
225 HB2 ARG 51 1HB ARG 51 0.630 4.524 -1.102
226 HB3 ARG 51 2HB ARG 51 0.499 6.174 -1.757
227 HG2 ARG 51 1HG ARG 51 -1.219 5.463 -3.316
228 HG3 ARG 51 2HG ARG 51 -1.037 3.772 -2.791
229 HD2 ARG 51 1HD ARG 51 -1.823 4.390 -0.579
230 HD3 ARG 51 2HD ARG 51 -2.041 6.065 -1.138
231 HE ARG 51 HE ARG 51 -3.710 4.337 -2.771
232 HH11 ARG 51 1HH1 ARG 51 -3.518 5.477 0.519
233 HH12 ARG 51 2HH1 ARG 51 -5.260 5.352 0.670
234 HH21 ARG 51 1HH2 ARG 51 -5.704 4.180 -2.611
235 HH22 ARG 51 2HH2 ARG 51 -6.508 4.612 -1.115
236 H ILE 52 H ILE 52 3.052 6.468 -4.143
237 HA ILE 52 HA ILE 52 5.298 6.034 -2.200
238 HB ILE 52 HB ILE 52 5.287 7.272 -4.992
239 HG12 ILE 52 1HG1 ILE 52 6.464 4.661 -4.080
240 HG13 ILE 52 2HG1 ILE 52 4.888 4.835 -4.889
241 HG21 ILE 52 1HG2 ILE 52 7.747 7.239 -4.755
242 HG22 ILE 52 2HG2 ILE 52 6.998 8.254 -3.502
243 HG23 ILE 52 3HG2 ILE 52 7.580 6.622 -3.095
244 HD11 ILE 52 3HD1 ILE 52 7.582 5.621 -6.055
245 HD12 ILE 52 1HD1 ILE 52 6.641 4.176 -6.489
246 HD13 ILE 52 2HD1 ILE 52 6.007 5.797 -6.863
247 H ILE 53 H ILE 53 5.493 7.351 -0.626
248 HA ILE 53 HA ILE 53 4.706 10.212 -1.002
249 HB ILE 53 HB ILE 53 5.619 8.671 1.471
250 HG12 ILE 53 1HG1 ILE 53 2.900 9.768 0.814
251 HG13 ILE 53 2HG1 ILE 53 3.397 8.081 0.548
252 HG21 ILE 53 1HG2 ILE 53 4.958 10.708 2.705
253 HG22 ILE 53 2HG2 ILE 53 6.261 11.056 1.546
254 HG23 ILE 53 3HG2 ILE 53 4.586 11.520 1.167
255 HD11 ILE 53 3HD1 ILE 53 3.324 9.511 3.229
256 HD12 ILE 53 1HD1 ILE 53 2.140 8.316 2.654
257 HD13 ILE 53 2HD1 ILE 53 3.822 7.824 2.962
258 H TYR 54 H TYR 54 6.007 11.863 -1.126
259 HA TYR 54 HA TYR 54 8.887 11.124 -1.513
260 HB2 TYR 54 1HB TYR 54 7.181 13.302 -2.732
261 HB3 TYR 54 2HB TYR 54 8.941 13.150 -2.953
262 HD1 TYR 54 HD2 TYR 54 9.848 11.125 -4.141
263 HD2 TYR 54 HD1 TYR 54 5.674 11.989 -4.027
264 HE1 TYR 54 HE2 TYR 54 9.487 9.582 -6.038
265 HE2 TYR 54 HE1 TYR 54 5.295 10.446 -5.928
266 HH TYR 54 HH TYR 54 7.972 8.655 -7.462
267 H ASP 55 H ASP 55 10.423 12.005 -0.362
268 HA ASP 55 HA ASP 55 9.731 14.393 1.312
269 HB2 ASP 55 1HB ASP 55 10.605 12.298 2.544
270 HB3 ASP 55 2HB ASP 55 12.000 12.511 1.458
271 H ARG 56 H ARG 56 10.084 16.132 0.116
272 HA ARG 56 HA ARG 56 12.377 16.206 -1.744
273 HB2 ARG 56 1HB ARG 56 10.089 17.067 -2.259
274 HB3 ARG 56 2HB ARG 56 10.485 18.432 -1.189
275 HG2 ARG 56 1HG ARG 56 12.405 18.996 -2.605
276 HG3 ARG 56 2HG ARG 56 12.033 17.618 -3.669
277 HD2 ARG 56 1HD ARG 56 11.252 19.512 -4.755
278 HD3 ARG 56 2HD ARG 56 9.816 18.707 -4.078
279 HE ARG 56 HE ARG 56 10.631 20.878 -2.301
280 HH11 ARG 56 1HH1 ARG 56 9.160 20.368 -5.420
281 HH12 ARG 56 2HH1 ARG 56 8.274 21.872 -5.255
282 HH21 ARG 56 1HH2 ARG 56 9.631 22.605 -2.100
283 HH22 ARG 56 2HH2 ARG 56 8.543 23.149 -3.363
284 H LYS 57 H LYS 57 14.180 17.371 -1.605
285 HA LYS 57 HA LYS 57 15.295 18.149 0.854
286 HB2 LYS 57 1HB LYS 57 16.561 17.889 -1.214
287 HB3 LYS 57 2HB LYS 57 15.766 19.332 -1.887
288 HG2 LYS 57 1HG LYS 57 16.813 20.735 -0.179
289 HG3 LYS 57 2HG LYS 57 17.565 19.301 0.560
290 HD2 LYS 57 1HD LYS 57 18.838 18.891 -1.498
291 HD3 LYS 57 2HD LYS 57 18.067 20.299 -2.265
292 HE2 LYS 57 1HE LYS 57 19.055 21.772 -0.568
293 HE3 LYS 57 2HE LYS 57 19.818 20.368 0.212
294 HZ1 LYS 57 3HZ LYS 57 20.366 21.312 -2.528
295 HZ2 LYS 57 1HZ LYS 57 21.352 21.528 -1.224
296 HZ3 LYS 57 2HZ LYS 57 21.073 20.009 -1.805
297 H PHE 58 H PHE 58 13.317 20.071 -1.376
298 HA PHE 58 HA PHE 58 13.213 22.203 0.735
299 HB2 PHE 58 1HB PHE 58 12.706 22.422 -2.266
300 HB3 PHE 58 2HB PHE 58 12.592 23.748 -1.087
301 HD1 PHE 58 HD2 PHE 58 14.716 24.287 0.253
302 HD2 PHE 58 HD1 PHE 58 14.673 22.018 -3.366
303 HE1 PHE 58 HE2 PHE 58 17.107 24.808 -0.099
304 HE2 PHE 58 HE1 PHE 58 17.064 22.534 -3.720
305 HZ PHE 58 HZ PHE 58 18.281 23.929 -2.087
306 H LEU 59 H LEU 59 11.682 19.859 0.980
307 HA LEU 59 HA LEU 59 9.054 20.111 -0.126
308 HB2 LEU 59 1HB LEU 59 10.095 18.194 0.852
309 HB3 LEU 59 2HB LEU 59 9.860 18.777 2.516
310 HG LEU 59 HG LEU 59 7.371 18.902 1.973
311 HD11 LEU 59 1HD1 LEU 59 6.596 17.414 0.108
312 HD12 LEU 59 2HD1 LEU 59 7.596 18.753 -0.506
313 HD13 LEU 59 3HD1 LEU 59 8.293 17.123 -0.343
314 HD21 LEU 59 3HD2 LEU 59 8.305 17.181 3.403
315 HD22 LEU 59 1HD2 LEU 59 7.015 16.493 2.389
316 HD23 LEU 59 2HD2 LEU 59 8.722 16.189 1.985
317 H LEU 60 H LEU 60 7.293 21.185 0.384
318 HA LEU 60 HA LEU 60 7.448 23.515 2.029
319 HB2 LEU 60 1HB LEU 60 5.246 21.860 0.999
320 HB3 LEU 60 2HB LEU 60 4.846 23.392 1.808
321 HG LEU 60 HG LEU 60 6.507 23.088 -0.724
322 HD11 LEU 60 1HD1 LEU 60 4.558 24.206 -1.840
323 HD12 LEU 60 2HD1 LEU 60 4.079 22.662 -1.096
324 HD13 LEU 60 3HD1 LEU 60 3.686 24.200 -0.289
325 HD21 LEU 60 3HD2 LEU 60 7.238 24.965 0.624
326 HD22 LEU 60 1HD2 LEU 60 6.401 25.553 -0.832
327 HD23 LEU 60 2HD2 LEU 60 5.569 25.568 0.742
328 H ASP 61 H ASP 61 6.054 20.304 2.685
329 HA ASP 61 HA ASP 61 5.506 21.028 5.484
330 HB2 ASP 61 1HB ASP 61 4.127 19.280 4.129
331 HB3 ASP 61 2HB ASP 61 5.666 18.386 4.182
332 H ARG 62 H ARG 62 7.531 21.753 6.180
333 HA ARG 62 HA ARG 62 9.794 19.883 6.212
334 HB2 ARG 62 1HB ARG 62 9.413 22.542 7.512
335 HB3 ARG 62 2HB ARG 62 10.886 21.548 7.596
336 HG2 ARG 62 1HG ARG 62 11.173 21.714 5.182
337 HG3 ARG 62 2HG ARG 62 9.654 22.635 5.046
338 HD2 ARG 62 1HD ARG 62 12.055 23.548 6.592
339 HD3 ARG 62 2HD ARG 62 11.726 23.970 4.895
340 HE ARG 62 HE ARG 62 9.461 24.916 6.341
341 HH11 ARG 62 1HH1 ARG 62 12.900 25.459 6.538
342 HH12 ARG 62 2HH1 ARG 62 12.616 27.089 7.118
343 HH21 ARG 62 1HH2 ARG 62 9.120 26.777 7.013
344 HH22 ARG 62 2HH2 ARG 62 10.461 27.841 7.390
Start of MODEL 5
1 H2 PRO 18 1H PRO 18 0.321 -1.528 -1.547
2 H3 PRO 18 2H PRO 18 -0.298 -1.331 -0.195
3 HA PRO 18 HA PRO 18 1.809 -1.057 0.896
4 HB2 PRO 18 1HB PRO 18 3.695 -1.226 -1.092
5 HB3 PRO 18 2HB PRO 18 2.765 -2.658 -0.629
6 HG2 PRO 18 1HG PRO 18 2.322 -0.771 -2.967
7 HG3 PRO 18 2HG PRO 18 2.296 -2.538 -2.947
8 HD2 PRO 18 1HD PRO 18 -0.020 -1.056 -2.850
9 HD3 PRO 18 2HD PRO 18 0.106 -2.629 -2.053
10 H THR 19 H THR 19 3.386 0.391 1.415
11 HA THR 19 HA THR 19 3.111 3.042 0.031
12 HB THR 19 HB THR 19 3.518 2.524 3.008
13 HG1 THR 19 HG1 THR 19 1.406 3.491 3.123
14 HG21 THR 19 3HG2 THR 19 3.173 5.110 1.439
15 HG22 THR 19 1HG2 THR 19 3.287 4.976 3.209
16 HG23 THR 19 2HG2 THR 19 4.683 4.545 2.191
17 H ARG 20 H ARG 20 4.865 4.123 -0.506
18 HA ARG 20 HA ARG 20 7.499 3.073 0.460
19 HB2 ARG 20 1HB ARG 20 6.855 3.782 -2.367
20 HB3 ARG 20 2HB ARG 20 8.460 3.394 -1.703
21 HG2 ARG 20 1HG ARG 20 6.105 1.487 -1.661
22 HG3 ARG 20 2HG ARG 20 7.334 1.514 -2.948
23 HD2 ARG 20 1HD ARG 20 9.047 1.027 -1.292
24 HD3 ARG 20 2HD ARG 20 7.788 0.946 -0.036
25 HE ARG 20 HE ARG 20 8.270 -1.206 -2.057
26 HH11 ARG 20 1HH1 ARG 20 6.248 0.022 0.504
27 HH12 ARG 20 2HH1 ARG 20 5.498 -1.553 0.676
28 HH21 ARG 20 1HH2 ARG 20 7.427 -3.018 -1.868
29 HH22 ARG 20 2HH2 ARG 20 6.170 -3.287 -0.676
30 H THR 21 H THR 21 9.276 4.546 0.249
31 HA THR 21 HA THR 21 8.400 7.414 0.256
32 HB THR 21 HB THR 21 10.418 6.118 2.136
33 HG1 THR 21 HG1 THR 21 8.824 6.719 3.719
34 HG21 THR 21 3HG2 THR 21 9.389 8.976 1.942
35 HG22 THR 21 1HG2 THR 21 10.497 8.351 3.187
36 HG23 THR 21 2HG2 THR 21 11.019 8.425 1.487
37 H VAL 22 H VAL 22 9.387 8.646 -1.116
38 HA VAL 22 HA VAL 22 12.187 7.937 -1.963
39 HB VAL 22 HB VAL 22 9.903 8.842 -3.768
40 HG11 VAL 22 1HG1 VAL 22 11.581 8.655 -5.574
41 HG12 VAL 22 2HG1 VAL 22 12.072 9.866 -4.367
42 HG13 VAL 22 3HG1 VAL 22 12.830 8.256 -4.374
43 HG21 VAL 22 3HG2 VAL 22 9.731 6.489 -3.212
44 HG22 VAL 22 1HG2 VAL 22 10.228 6.704 -4.906
45 HG23 VAL 22 2HG2 VAL 22 11.430 6.235 -3.681
46 H ALA 23 H ALA 23 13.605 9.451 -1.889
47 HA ALA 23 HA ALA 23 12.692 12.172 -1.180
48 HB1 ALA 23 3HB ALA 23 15.482 10.983 -1.368
49 HB2 ALA 23 1HB ALA 23 15.084 12.610 -0.772
50 HB3 ALA 23 2HB ALA 23 14.521 11.176 0.117
51 H ILE 24 H ILE 24 13.077 14.011 -2.322
52 HA ILE 24 HA ILE 24 14.076 13.634 -5.136
53 HB ILE 24 HB ILE 24 11.944 15.562 -4.106
54 HG12 ILE 24 1HG1 ILE 24 11.665 13.256 -6.013
55 HG13 ILE 24 2HG1 ILE 24 11.251 13.204 -4.284
56 HG21 ILE 24 1HG2 ILE 24 11.700 16.187 -6.484
57 HG22 ILE 24 2HG2 ILE 24 13.344 16.531 -5.897
58 HG23 ILE 24 3HG2 ILE 24 13.043 15.100 -6.909
59 HD11 ILE 24 3HD1 ILE 24 9.989 15.028 -6.361
60 HD12 ILE 24 1HD1 ILE 24 9.246 13.569 -5.668
61 HD13 ILE 24 2HD1 ILE 24 9.575 14.978 -4.631
62 H SER 25 H SER 25 16.014 14.342 -5.313
63 HA SER 25 HA SER 25 16.870 16.753 -3.700
64 HB2 SER 25 1HB SER 25 19.033 16.045 -3.930
65 HB3 SER 25 2HB SER 25 18.031 14.730 -3.277
66 HG SER 25 HG SER 25 18.938 15.005 -5.950
67 H ASP 26 H ASP 26 15.817 15.854 -6.793
68 HA ASP 26 HA ASP 26 16.828 18.327 -7.994
69 HB2 ASP 26 1HB ASP 26 18.688 16.354 -8.238
70 HB3 ASP 26 2HB ASP 26 17.441 15.851 -9.404
71 H ALA 27 H ALA 27 16.038 18.677 -10.165
72 HA ALA 27 HA ALA 27 13.271 17.962 -10.386
73 HB1 ALA 27 3HB ALA 27 15.160 19.109 -12.470
74 HB2 ALA 27 1HB ALA 27 13.386 19.070 -12.584
75 HB3 ALA 27 2HB ALA 27 14.175 20.043 -11.321
76 H ALA 28 H ALA 28 16.198 16.467 -11.538
77 HA ALA 28 HA ALA 28 15.037 14.736 -13.491
78 HB1 ALA 28 3HB ALA 28 17.392 14.257 -11.633
79 HB2 ALA 28 1HB ALA 28 17.001 13.305 -13.083
80 HB3 ALA 28 2HB ALA 28 17.462 15.016 -13.241
81 H GLN 29 H GLN 29 15.059 14.660 -9.988
82 HA GLN 29 HA GLN 29 13.880 11.929 -9.986
83 HB2 GLN 29 1HB GLN 29 14.591 13.794 -7.711
84 HB3 GLN 29 2HB GLN 29 14.045 12.107 -7.561
85 HG2 GLN 29 1HG GLN 29 16.356 11.426 -8.792
86 HG3 GLN 29 2HG GLN 29 16.411 13.204 -8.807
87 HE21 GLN 29 2HE2 GLN 29 18.531 11.881 -7.773
88 HE22 GLN 29 1HE2 GLN 29 18.565 12.026 -6.047
89 H LEU 30 H LEU 30 12.972 15.269 -9.667
90 HA LEU 30 HA LEU 30 10.390 14.903 -8.493
91 HB2 LEU 30 1HB LEU 30 11.555 16.936 -8.824
92 HB3 LEU 30 2HB LEU 30 11.269 16.975 -10.579
93 HG LEU 30 HG LEU 30 8.768 16.860 -9.995
94 HD11 LEU 30 1HD1 LEU 30 8.180 17.785 -7.738
95 HD12 LEU 30 2HD1 LEU 30 9.064 16.247 -7.596
96 HD13 LEU 30 3HD1 LEU 30 9.906 17.789 -7.307
97 HD21 LEU 30 3HD2 LEU 30 9.823 18.845 -10.900
98 HD22 LEU 30 1HD2 LEU 30 8.627 19.304 -9.665
99 HD23 LEU 30 2HD2 LEU 30 10.365 19.333 -9.277
100 HA PRO 31 HA PRO 31 8.470 12.500 -11.710
101 HB2 PRO 31 1HB PRO 31 6.055 13.090 -9.987
102 HB3 PRO 31 2HB PRO 31 6.676 11.519 -10.514
103 HG2 PRO 31 1HG PRO 31 6.980 12.284 -7.968
104 HG3 PRO 31 2HG PRO 31 8.287 11.421 -8.789
105 HD2 PRO 31 1HD PRO 31 8.036 14.414 -8.237
106 HD3 PRO 31 2HD PRO 31 9.457 13.374 -8.071
107 H HIS 32 H HIS 32 6.632 12.777 -13.125
108 HA HIS 32 HA HIS 32 6.213 15.696 -13.661
109 HB2 HIS 32 1HB HIS 32 6.276 13.290 -15.531
110 HB3 HIS 32 2HB HIS 32 5.718 14.906 -16.022
111 HD2 HIS 32 HD2 HIS 32 8.720 15.771 -13.907
112 HE1 HIS 32 HE1 HIS 32 10.220 14.819 -17.767
113 HE2 HIS 32 HE2 HIS 32 10.706 15.905 -15.423
114 H ASP 33 H ASP 33 4.694 13.221 -12.217
115 HA ASP 33 HA ASP 33 2.014 14.284 -12.974
116 HB2 ASP 33 1HB ASP 33 1.085 12.023 -13.316
117 HB3 ASP 33 2HB ASP 33 2.515 12.393 -14.313
118 H TYR 34 H TYR 34 3.944 14.395 -10.648
119 HA TYR 34 HA TYR 34 2.634 12.912 -8.506
120 HB2 TYR 34 1HB TYR 34 4.090 14.052 -7.045
121 HB3 TYR 34 2HB TYR 34 5.021 13.656 -8.511
122 HD1 TYR 34 HD1 TYR 34 3.267 16.422 -6.738
123 HD2 TYR 34 HD2 TYR 34 6.049 15.369 -9.793
124 HE1 TYR 34 HE1 TYR 34 3.895 18.806 -6.976
125 HE2 TYR 34 HE2 TYR 34 6.688 17.743 -10.045
126 HH TYR 34 HH TYR 34 5.199 20.316 -8.062
127 H CYS 35 H CYS 35 1.499 13.778 -6.724
128 HA CYS 35 HA CYS 35 0.109 16.426 -7.248
129 HB2 CYS 35 1HB CYS 35 -0.707 13.882 -5.775
130 HB3 CYS 35 2HB CYS 35 -1.702 15.347 -5.955
131 HG CYS 35 HG CYS 35 -2.643 13.453 -7.360
132 H THR 36 H THR 36 -0.476 17.578 -5.273
133 HA THR 36 HA THR 36 1.355 17.064 -2.968
134 HB THR 36 HB THR 36 0.974 19.772 -4.312
135 HG1 THR 36 HG1 THR 36 3.233 19.493 -4.790
136 HG21 THR 36 3HG2 THR 36 2.711 18.895 -1.971
137 HG22 THR 36 1HG2 THR 36 2.684 20.520 -2.696
138 HG23 THR 36 2HG2 THR 36 1.243 19.895 -1.859
139 H TPO 37 H TPO 37 0.515 17.324 -1.042
140 HA TPO 37 HA TPO 37 -2.334 18.093 -0.871
141 HB TPO 37 HB TPO 37 -2.248 17.302 1.397
142 HG21 TPO 37 1HG2 TPO 37 -1.362 15.013 1.125
143 HG22 TPO 37 2HG2 TPO 37 -2.251 15.532 -0.328
144 HG23 TPO 37 3HG2 TPO 37 -0.471 15.530 -0.326
145 HA PRO 38 HA PRO 38 -2.103 22.176 0.526
146 HB2 PRO 38 1HB PRO 38 -3.516 21.297 3.080
147 HB3 PRO 38 2HB PRO 38 -3.972 22.583 1.955
148 HG2 PRO 38 1HG PRO 38 -5.326 20.289 1.925
149 HG3 PRO 38 2HG PRO 38 -4.916 21.070 0.392
150 HD2 PRO 38 1HD PRO 38 -3.610 18.657 1.707
151 HD3 PRO 38 2HD PRO 38 -3.935 18.947 -0.006
152 H GLY 39 H GLY 39 -1.153 19.675 2.806
153 HA2 GLY 39 1HA GLY 39 0.271 21.429 4.585
154 HA3 GLY 39 2HA GLY 39 0.497 19.672 4.431
155 H GLY 40 H GLY 40 1.058 19.871 1.533
156 HA2 GLY 40 1HA GLY 40 2.689 20.955 0.096
157 HA3 GLY 40 2HA GLY 40 3.626 21.396 1.544
158 H THR 41 H THR 41 2.167 18.227 1.099
159 HA THR 41 HA THR 41 4.914 17.068 0.763
160 HB THR 41 HB THR 41 2.394 15.789 1.908
161 HG1 THR 41 HG1 THR 41 3.166 16.983 3.539
162 HG21 THR 41 3HG2 THR 41 5.242 14.744 1.658
163 HG22 THR 41 1HG2 THR 41 3.897 13.914 2.476
164 HG23 THR 41 2HG2 THR 41 3.842 14.181 0.716
165 H LEU 42 H LEU 42 5.428 15.956 -0.953
166 HA LEU 42 HA LEU 42 3.433 15.758 -3.115
167 HB2 LEU 42 1HB LEU 42 6.294 15.413 -2.722
168 HB3 LEU 42 2HB LEU 42 5.663 14.641 -4.196
169 HG LEU 42 HG LEU 42 4.689 16.932 -4.793
170 HD11 LEU 42 1HD1 LEU 42 5.868 18.892 -3.759
171 HD12 LEU 42 2HD1 LEU 42 4.963 17.964 -2.539
172 HD13 LEU 42 3HD1 LEU 42 6.729 17.779 -2.670
173 HD21 LEU 42 3HD2 LEU 42 6.592 15.975 -5.950
174 HD22 LEU 42 1HD2 LEU 42 6.824 17.729 -5.749
175 HD23 LEU 42 2HD2 LEU 42 7.700 16.587 -4.699
176 H PHE 43 H PHE 43 2.685 13.958 -4.100
177 HA PHE 43 HA PHE 43 3.610 11.300 -3.248
178 HB2 PHE 43 1HB PHE 43 1.463 10.521 -2.420
179 HB3 PHE 43 2HB PHE 43 1.926 11.955 -1.477
180 HD1 PHE 43 HD2 PHE 43 0.830 14.121 -1.916
181 HD2 PHE 43 HD1 PHE 43 -0.485 10.480 -3.723
182 HE1 PHE 43 HE2 PHE 43 -1.346 15.170 -2.441
183 HE2 PHE 43 HE1 PHE 43 -2.662 11.526 -4.251
184 HZ PHE 43 HZ PHE 43 -3.091 13.872 -3.611
185 H SER 44 H SER 44 2.959 9.624 -4.572
186 HA SER 44 HA SER 44 1.041 10.174 -6.806
187 HB2 SER 44 1HB SER 44 3.070 11.074 -7.626
188 HB3 SER 44 2HB SER 44 3.858 9.497 -7.396
189 HG SER 44 HG SER 44 2.866 10.045 -9.535
190 H THR 45 H THR 45 0.119 8.326 -7.574
191 HA THR 45 HA THR 45 1.062 5.744 -6.368
192 HB THR 45 HB THR 45 -1.761 6.531 -7.205
193 HG1 THR 45 HG1 THR 45 -1.033 7.491 -5.220
194 HG21 THR 45 3HG2 THR 45 -0.679 4.025 -5.856
195 HG22 THR 45 1HG2 THR 45 -2.394 4.376 -6.177
196 HG23 THR 45 2HG2 THR 45 -1.265 4.132 -7.532
197 H TPO 46 H TPO 46 1.663 4.169 -7.629
198 HA TPO 46 HA TPO 46 1.616 4.679 -10.548
199 HB TPO 46 HB TPO 46 3.253 2.943 -10.733
200 HG21 TPO 46 1HG2 TPO 46 4.995 3.642 -9.127
201 HG22 TPO 46 2HG2 TPO 46 4.110 5.049 -9.765
202 HG23 TPO 46 3HG2 TPO 46 3.756 4.441 -8.130
203 HA PRO 47 HA PRO 47 -1.505 2.041 -11.847
204 HB2 PRO 47 1HB PRO 47 0.545 0.477 -13.475
205 HB3 PRO 47 2HB PRO 47 -0.957 1.233 -14.026
206 HG2 PRO 47 1HG PRO 47 1.370 2.403 -14.585
207 HG3 PRO 47 2HG PRO 47 -0.002 3.402 -14.090
208 HD2 PRO 47 1HD PRO 47 2.420 2.555 -12.458
209 HD3 PRO 47 2HD PRO 47 1.564 4.101 -12.453
210 H GLY 48 H GLY 48 1.421 0.487 -10.692
211 HA2 GLY 48 1HA GLY 48 0.315 -2.134 -10.385
212 HA3 GLY 48 2HA GLY 48 1.717 -1.477 -9.508
213 H GLY 49 H GLY 49 0.061 0.808 -8.506
214 HA2 GLY 49 1HA GLY 49 -1.921 1.050 -7.097
215 HA3 GLY 49 2HA GLY 49 -1.744 -0.656 -6.625
216 H THR 50 H THR 50 1.269 0.829 -6.853
217 HA THR 50 HA THR 50 1.539 0.876 -3.912
218 HB THR 50 HB THR 50 3.575 1.412 -6.116
219 HG1 THR 50 HG1 THR 50 3.453 -0.707 -6.226
220 HG21 THR 50 3HG2 THR 50 3.927 0.964 -3.125
221 HG22 THR 50 1HG2 THR 50 5.240 1.138 -4.311
222 HG23 THR 50 2HG2 THR 50 4.154 2.508 -3.977
223 H ARG 51 H ARG 51 1.536 2.549 -2.635
224 HA ARG 51 HA ARG 51 1.223 5.238 -3.888
225 HB2 ARG 51 1HB ARG 51 0.676 4.340 -1.094
226 HB3 ARG 51 2HB ARG 51 0.463 5.983 -1.740
227 HG2 ARG 51 1HG ARG 51 -1.256 5.203 -3.269
228 HG3 ARG 51 2HG ARG 51 -0.995 3.521 -2.746
229 HD2 ARG 51 1HD ARG 51 -1.766 4.105 -0.523
230 HD3 ARG 51 2HD ARG 51 -2.051 5.774 -1.068
231 HE ARG 51 HE ARG 51 -3.692 4.009 -2.685
232 HH11 ARG 51 1HH1 ARG 51 -3.469 5.089 0.624
233 HH12 ARG 51 2HH1 ARG 51 -5.201 4.893 0.810
234 HH21 ARG 51 1HH2 ARG 51 -5.675 3.772 -2.483
235 HH22 ARG 51 2HH2 ARG 51 -6.460 4.141 -0.960
236 H ILE 52 H ILE 52 2.939 6.406 -4.170
237 HA ILE 52 HA ILE 52 5.251 6.045 -2.289
238 HB ILE 52 HB ILE 52 5.136 7.264 -5.086
239 HG12 ILE 52 1HG1 ILE 52 6.400 4.689 -4.189
240 HG13 ILE 52 2HG1 ILE 52 4.808 4.821 -4.971
241 HG21 ILE 52 1HG2 ILE 52 7.602 7.300 -4.910
242 HG22 ILE 52 2HG2 ILE 52 6.854 8.300 -3.642
243 HG23 ILE 52 3HG2 ILE 52 7.492 6.688 -3.243
244 HD11 ILE 52 3HD1 ILE 52 7.461 5.669 -6.185
245 HD12 ILE 52 1HD1 ILE 52 6.549 4.200 -6.600
246 HD13 ILE 52 2HD1 ILE 52 5.868 5.802 -6.967
247 H ILE 53 H ILE 53 5.439 7.380 -0.727
248 HA ILE 53 HA ILE 53 4.549 10.209 -1.094
249 HB ILE 53 HB ILE 53 5.633 8.724 1.345
250 HG12 ILE 53 1HG1 ILE 53 2.847 9.708 0.803
251 HG13 ILE 53 2HG1 ILE 53 3.398 8.039 0.533
252 HG21 ILE 53 1HG2 ILE 53 4.951 10.745 2.594
253 HG22 ILE 53 2HG2 ILE 53 6.185 11.133 1.373
254 HG23 ILE 53 3HG2 ILE 53 4.477 11.529 1.068
255 HD11 ILE 53 3HD1 ILE 53 3.388 9.499 3.199
256 HD12 ILE 53 1HD1 ILE 53 2.227 8.251 2.691
257 HD13 ILE 53 2HD1 ILE 53 3.940 7.830 2.928
258 H TYR 54 H TYR 54 5.777 11.883 -1.366
259 HA TYR 54 HA TYR 54 8.675 11.256 -1.803
260 HB2 TYR 54 1HB TYR 54 6.843 13.323 -3.034
261 HB3 TYR 54 2HB TYR 54 8.603 13.244 -3.298
262 HD1 TYR 54 HD2 TYR 54 9.574 11.262 -4.484
263 HD2 TYR 54 HD1 TYR 54 5.363 11.873 -4.223
264 HE1 TYR 54 HE2 TYR 54 9.237 9.651 -6.328
265 HE2 TYR 54 HE1 TYR 54 5.006 10.262 -6.070
266 HH TYR 54 HH TYR 54 7.726 8.597 -7.667
267 H ASP 55 H ASP 55 10.195 12.213 -0.690
268 HA ASP 55 HA ASP 55 9.478 14.628 0.920
269 HB2 ASP 55 1HB ASP 55 10.686 12.664 2.086
270 HB3 ASP 55 2HB ASP 55 11.925 12.979 0.845
271 H ARG 56 H ARG 56 9.526 16.358 -0.344
272 HA ARG 56 HA ARG 56 11.516 16.524 -2.518
273 HB2 ARG 56 1HB ARG 56 9.251 17.114 -2.974
274 HB3 ARG 56 2HB ARG 56 9.324 18.397 -1.743
275 HG2 ARG 56 1HG ARG 56 11.065 19.546 -3.045
276 HG3 ARG 56 2HG ARG 56 10.986 18.264 -4.278
277 HD2 ARG 56 1HD ARG 56 9.818 20.258 -4.963
278 HD3 ARG 56 2HD ARG 56 8.717 18.872 -4.789
279 HE ARG 56 HE ARG 56 7.559 20.171 -3.049
280 HH11 ARG 56 1HH1 ARG 56 10.673 21.611 -3.671
281 HH12 ARG 56 2HH1 ARG 56 10.227 23.006 -2.709
282 HH21 ARG 56 1HH2 ARG 56 7.037 21.758 -1.937
283 HH22 ARG 56 2HH2 ARG 56 8.153 23.091 -1.719
284 H LYS 57 H LYS 57 13.511 16.984 -1.927
285 HA LYS 57 HA LYS 57 13.973 19.310 -0.130
286 HB2 LYS 57 1HB LYS 57 15.866 17.414 -1.527
287 HB3 LYS 57 2HB LYS 57 16.351 18.752 -0.458
288 HG2 LYS 57 1HG LYS 57 15.154 17.674 1.416
289 HG3 LYS 57 2HG LYS 57 14.711 16.324 0.344
290 HD2 LYS 57 1HD LYS 57 17.111 15.842 -0.016
291 HD3 LYS 57 2HD LYS 57 17.532 17.165 1.097
292 HE2 LYS 57 1HE LYS 57 16.397 16.029 2.928
293 HE3 LYS 57 2HE LYS 57 15.869 14.735 1.827
294 HZ1 LYS 57 3HZ LYS 57 18.668 15.368 2.511
295 HZ2 LYS 57 1HZ LYS 57 17.803 14.089 3.095
296 HZ3 LYS 57 2HZ LYS 57 18.179 14.167 1.489
297 H PHE 58 H PHE 58 14.281 18.347 -3.514
298 HA PHE 58 HA PHE 58 15.555 20.716 -4.476
299 HB2 PHE 58 1HB PHE 58 15.227 18.694 -5.873
300 HB3 PHE 58 2HB PHE 58 13.470 18.967 -5.853
301 HD1 PHE 58 HD1 PHE 58 16.675 20.606 -6.814
302 HD2 PHE 58 HD2 PHE 58 12.481 20.187 -7.514
303 HE1 PHE 58 HE1 PHE 58 16.873 22.017 -8.834
304 HE2 PHE 58 HE2 PHE 58 12.676 21.594 -9.537
305 HZ PHE 58 HZ PHE 58 14.873 22.510 -10.196
306 H LEU 59 H LEU 59 15.006 22.730 -4.425
307 HA LEU 59 HA LEU 59 12.284 23.518 -3.677
308 HB2 LEU 59 1HB LEU 59 14.696 24.981 -4.532
309 HB3 LEU 59 2HB LEU 59 13.283 25.871 -3.919
310 HG LEU 59 HG LEU 59 15.045 23.937 -2.366
311 HD11 LEU 59 1HD1 LEU 59 15.592 25.970 -1.002
312 HD12 LEU 59 2HD1 LEU 59 16.044 26.196 -2.708
313 HD13 LEU 59 3HD1 LEU 59 14.561 26.947 -2.073
314 HD21 LEU 59 3HD2 LEU 59 12.727 23.702 -1.693
315 HD22 LEU 59 1HD2 LEU 59 13.652 24.518 -0.410
316 HD23 LEU 59 2HD2 LEU 59 12.582 25.462 -1.475
317 H LEU 60 H LEU 60 10.760 24.545 -4.834
318 HA LEU 60 HA LEU 60 11.109 24.350 -7.799
319 HB2 LEU 60 1HB LEU 60 8.721 24.543 -6.082
320 HB3 LEU 60 2HB LEU 60 8.581 24.300 -7.839
321 HG LEU 60 HG LEU 60 9.695 22.343 -5.793
322 HD11 LEU 60 1HD1 LEU 60 7.779 20.910 -6.549
323 HD12 LEU 60 2HD1 LEU 60 7.206 22.458 -5.885
324 HD13 LEU 60 3HD1 LEU 60 7.260 22.211 -7.646
325 HD21 LEU 60 3HD2 LEU 60 11.001 22.251 -7.833
326 HD22 LEU 60 1HD2 LEU 60 9.994 20.791 -7.692
327 HD23 LEU 60 2HD2 LEU 60 9.522 22.094 -8.808
328 H ASP 61 H ASP 61 10.252 25.944 -9.164
329 HA ASP 61 HA ASP 61 10.840 28.633 -8.252
330 HB2 ASP 61 1HB ASP 61 9.573 27.613 -10.864
331 HB3 ASP 61 2HB ASP 61 9.902 29.287 -10.352
332 H ARG 62 H ARG 62 9.562 30.365 -7.880
333 HA ARG 62 HA ARG 62 6.979 29.790 -6.684
334 HB2 ARG 62 1HB ARG 62 8.460 31.489 -5.834
335 HB3 ARG 62 2HB ARG 62 8.212 32.433 -7.321
336 HG2 ARG 62 1HG ARG 62 5.832 32.653 -6.809
337 HG3 ARG 62 2HG ARG 62 6.042 31.660 -5.346
338 HD2 ARG 62 1HD ARG 62 7.502 33.360 -4.417
339 HD3 ARG 62 2HD ARG 62 7.254 34.355 -5.871
340 HE ARG 62 HE ARG 62 4.666 33.928 -4.640
341 HH11 ARG 62 1HH1 ARG 62 7.662 35.559 -3.921
342 HH12 ARG 62 2HH1 ARG 62 6.792 36.756 -2.981
343 HH21 ARG 62 1HH2 ARG 62 3.655 35.285 -3.561
344 HH22 ARG 62 2HH2 ARG 62 4.506 36.600 -2.775
Start of MODEL 6
1 H2 PRO 18 1H PRO 18 0.291 -2.127 -1.483
2 H3 PRO 18 2H PRO 18 0.046 -1.963 -0.013
3 HA PRO 18 HA PRO 18 2.351 -1.578 0.481
4 HB2 PRO 18 1HB PRO 18 3.642 -1.645 -1.942
5 HB3 PRO 18 2HB PRO 18 2.948 -3.124 -1.265
6 HG2 PRO 18 1HG PRO 18 1.794 -1.271 -3.376
7 HG3 PRO 18 2HG PRO 18 1.867 -3.039 -3.369
8 HD2 PRO 18 1HD PRO 18 -0.411 -1.680 -2.637
9 HD3 PRO 18 2HD PRO 18 0.005 -3.241 -1.920
10 H THR 19 H THR 19 3.735 0.011 0.812
11 HA THR 19 HA THR 19 3.312 2.536 -0.744
12 HB THR 19 HB THR 19 3.550 3.845 1.315
13 HG1 THR 19 HG1 THR 19 3.522 2.700 3.340
14 HG21 THR 19 3HG2 THR 19 1.405 1.700 1.581
15 HG22 THR 19 1HG2 THR 19 1.399 3.283 2.392
16 HG23 THR 19 2HG2 THR 19 1.269 3.192 0.620
17 H ARG 20 H ARG 20 5.055 4.012 -0.745
18 HA ARG 20 HA ARG 20 7.688 2.844 0.050
19 HB2 ARG 20 1HB ARG 20 7.072 3.935 -2.660
20 HB3 ARG 20 2HB ARG 20 8.688 3.556 -2.020
21 HG2 ARG 20 1HG ARG 20 6.458 1.521 -2.296
22 HG3 ARG 20 2HG ARG 20 7.697 1.808 -3.544
23 HD2 ARG 20 1HD ARG 20 9.416 1.229 -1.887
24 HD3 ARG 20 2HD ARG 20 8.117 0.815 -0.745
25 HE ARG 20 HE ARG 20 8.920 -0.900 -3.053
26 HH11 ARG 20 1HH1 ARG 20 6.578 -0.293 -0.543
27 HH12 ARG 20 2HH1 ARG 20 5.958 -1.922 -0.719
28 HH21 ARG 20 1HH2 ARG 20 8.226 -2.771 -3.263
29 HH22 ARG 20 2HH2 ARG 20 6.897 -3.337 -2.270
30 H THR 21 H THR 21 9.409 4.347 0.207
31 HA THR 21 HA THR 21 8.480 7.180 0.543
32 HB THR 21 HB THR 21 10.450 5.669 2.312
33 HG1 THR 21 HG1 THR 21 8.783 6.027 3.895
34 HG21 THR 21 3HG2 THR 21 9.375 8.513 2.464
35 HG22 THR 21 1HG2 THR 21 10.443 7.740 3.658
36 HG23 THR 21 2HG2 THR 21 11.030 8.051 2.007
37 H VAL 22 H VAL 22 9.415 8.501 -0.775
38 HA VAL 22 HA VAL 22 12.309 8.049 -1.473
39 HB VAL 22 HB VAL 22 10.091 8.959 -3.354
40 HG11 VAL 22 1HG1 VAL 22 11.885 8.980 -5.055
41 HG12 VAL 22 2HG1 VAL 22 12.238 10.123 -3.737
42 HG13 VAL 22 3HG1 VAL 22 13.076 8.554 -3.804
43 HG21 VAL 22 3HG2 VAL 22 10.003 6.568 -2.972
44 HG22 VAL 22 1HG2 VAL 22 10.593 6.926 -4.612
45 HG23 VAL 22 2HG2 VAL 22 11.739 6.425 -3.345
46 H ALA 23 H ALA 23 13.622 9.664 -1.302
47 HA ALA 23 HA ALA 23 12.519 12.233 -0.362
48 HB1 ALA 23 3HB ALA 23 15.386 11.298 -0.719
49 HB2 ALA 23 1HB ALA 23 14.877 12.827 0.031
50 HB3 ALA 23 2HB ALA 23 14.458 11.279 0.799
51 H ILE 24 H ILE 24 12.252 13.994 -1.512
52 HA ILE 24 HA ILE 24 13.531 14.131 -4.229
53 HB ILE 24 HB ILE 24 10.688 14.941 -3.463
54 HG12 ILE 24 1HG1 ILE 24 10.967 12.548 -3.681
55 HG13 ILE 24 2HG1 ILE 24 9.932 13.246 -4.947
56 HG21 ILE 24 1HG2 ILE 24 10.459 15.511 -5.857
57 HG22 ILE 24 2HG2 ILE 24 11.730 16.487 -5.086
58 HG23 ILE 24 3HG2 ILE 24 12.172 15.107 -6.118
59 HD11 ILE 24 3HD1 ILE 24 12.839 12.428 -5.279
60 HD12 ILE 24 1HD1 ILE 24 11.428 11.522 -5.872
61 HD13 ILE 24 2HD1 ILE 24 11.803 13.126 -6.545
62 H SER 25 H SER 25 14.427 15.929 -4.858
63 HA SER 25 HA SER 25 15.144 17.852 -2.751
64 HB2 SER 25 1HB SER 25 16.565 18.796 -4.277
65 HB3 SER 25 2HB SER 25 16.717 17.024 -4.317
66 HG SER 25 HG SER 25 16.680 17.984 -6.406
67 H ASP 26 H ASP 26 13.045 17.788 -5.625
68 HA ASP 26 HA ASP 26 11.476 20.022 -4.635
69 HB2 ASP 26 1HB ASP 26 13.665 21.057 -5.844
70 HB3 ASP 26 2HB ASP 26 12.741 20.437 -7.235
71 H ALA 27 H ALA 27 9.613 20.457 -5.855
72 HA ALA 27 HA ALA 27 8.502 18.108 -7.071
73 HB1 ALA 27 3HB ALA 27 7.528 20.984 -7.132
74 HB2 ALA 27 1HB ALA 27 6.572 19.553 -7.582
75 HB3 ALA 27 2HB ALA 27 7.120 19.765 -5.902
76 H ALA 28 H ALA 28 10.248 20.838 -8.342
77 HA ALA 28 HA ALA 28 9.481 20.533 -11.090
78 HB1 ALA 28 3HB ALA 28 12.061 21.595 -9.889
79 HB2 ALA 28 1HB ALA 28 11.534 21.807 -11.576
80 HB3 ALA 28 2HB ALA 28 10.603 22.548 -10.253
81 H GLN 29 H GLN 29 11.542 18.689 -9.015
82 HA GLN 29 HA GLN 29 13.111 17.570 -11.255
83 HB2 GLN 29 1HB GLN 29 13.054 16.900 -8.304
84 HB3 GLN 29 2HB GLN 29 14.205 16.259 -9.499
85 HG2 GLN 29 1HG GLN 29 14.207 19.217 -8.450
86 HG3 GLN 29 2HG GLN 29 15.215 17.758 -8.312
87 HE21 GLN 29 2HE2 GLN 29 14.784 20.665 -9.914
88 HE22 GLN 29 1HE2 GLN 29 15.762 20.358 -11.311
89 H LEU 30 H LEU 30 10.473 16.626 -9.120
90 HA LEU 30 HA LEU 30 10.519 13.837 -9.983
91 HB2 LEU 30 1HB LEU 30 9.794 14.545 -7.880
92 HB3 LEU 30 2HB LEU 30 8.385 15.451 -8.480
93 HG LEU 30 HG LEU 30 7.590 13.241 -9.496
94 HD11 LEU 30 1HD1 LEU 30 8.466 11.175 -8.373
95 HD12 LEU 30 2HD1 LEU 30 9.751 12.019 -9.270
96 HD13 LEU 30 3HD1 LEU 30 9.653 12.173 -7.499
97 HD21 LEU 30 3HD2 LEU 30 6.533 14.246 -7.560
98 HD22 LEU 30 1HD2 LEU 30 6.589 12.478 -7.370
99 HD23 LEU 30 2HD2 LEU 30 7.738 13.507 -6.480
100 HA PRO 31 HA PRO 31 8.433 14.584 -13.843
101 HB2 PRO 31 1HB PRO 31 8.407 11.560 -13.814
102 HB3 PRO 31 2HB PRO 31 9.046 12.645 -15.056
103 HG2 PRO 31 1HG PRO 31 10.737 11.290 -13.492
104 HG3 PRO 31 2HG PRO 31 11.094 12.970 -13.916
105 HD2 PRO 31 1HD PRO 31 9.920 11.877 -11.315
106 HD3 PRO 31 2HD PRO 31 11.185 13.092 -11.530
107 H HIS 32 H HIS 32 6.393 14.653 -14.446
108 HA HIS 32 HA HIS 32 4.278 13.829 -12.662
109 HB2 HIS 32 1HB HIS 32 4.368 14.754 -15.552
110 HB3 HIS 32 2HB HIS 32 2.853 14.202 -14.798
111 HD1 HIS 32 HD1 HIS 32 2.336 15.537 -12.409
112 HD2 HIS 32 HD2 HIS 32 4.800 17.507 -15.204
113 HE1 HIS 32 HE1 HIS 32 2.205 17.916 -11.864
114 H ASP 33 H ASP 33 3.121 10.705 -13.654
115 HA ASP 33 HA ASP 33 2.399 13.532 -13.051
116 HB2 ASP 33 1HB ASP 33 0.702 10.978 -12.770
117 HB3 ASP 33 2HB ASP 33 0.325 12.685 -12.430
118 H TYR 34 H TYR 34 1.918 14.300 -11.041
119 HA TYR 34 HA TYR 34 2.023 12.521 -8.710
120 HB2 TYR 34 1HB TYR 34 3.814 13.617 -7.581
121 HB3 TYR 34 2HB TYR 34 4.406 12.991 -9.139
122 HD1 TYR 34 HD1 TYR 34 3.536 16.047 -7.250
123 HD2 TYR 34 HD2 TYR 34 5.160 14.496 -10.873
124 HE1 TYR 34 HE1 TYR 34 4.372 18.305 -7.831
125 HE2 TYR 34 HE2 TYR 34 6.001 16.743 -11.471
126 HH TYR 34 HH TYR 34 6.660 18.968 -9.992
127 H CYS 35 H CYS 35 1.623 13.687 -6.679
128 HA CYS 35 HA CYS 35 -0.006 16.210 -7.128
129 HB2 CYS 35 1HB CYS 35 -0.400 13.767 -5.343
130 HB3 CYS 35 2HB CYS 35 -1.453 15.203 -5.378
131 HG CYS 35 HG CYS 35 -2.626 13.211 -6.428
132 H THR 36 H THR 36 -0.023 17.684 -5.395
133 HA THR 36 HA THR 36 2.112 17.305 -3.331
134 HB THR 36 HB THR 36 1.649 19.853 -4.937
135 HG1 THR 36 HG1 THR 36 3.769 19.347 -5.752
136 HG21 THR 36 3HG2 THR 36 3.724 19.123 -2.833
137 HG22 THR 36 1HG2 THR 36 3.659 20.651 -3.743
138 HG23 THR 36 2HG2 THR 36 2.357 20.238 -2.601
139 H TPO 37 H TPO 37 1.708 18.024 -1.352
140 HA TPO 37 HA TPO 37 -1.029 19.125 -0.882
141 HB TPO 37 HB TPO 37 -0.838 18.366 1.365
142 HG21 TPO 37 1HG2 TPO 37 -0.254 15.976 1.146
143 HG22 TPO 37 2HG2 TPO 37 -1.193 16.537 -0.259
144 HG23 TPO 37 3HG2 TPO 37 0.568 16.318 -0.395
145 HA PRO 38 HA PRO 38 0.042 23.145 0.148
146 HB2 PRO 38 1HB PRO 38 -1.142 22.689 2.924
147 HB3 PRO 38 2HB PRO 38 -1.524 23.963 1.758
148 HG2 PRO 38 1HG PRO 38 -3.227 21.939 2.078
149 HG3 PRO 38 2HG PRO 38 -2.899 22.543 0.449
150 HD2 PRO 38 1HD PRO 38 -1.855 20.021 1.787
151 HD3 PRO 38 2HD PRO 38 -2.329 20.270 0.103
152 H GLY 39 H GLY 39 0.873 20.708 2.550
153 HA2 GLY 39 1HA GLY 39 2.739 22.326 4.003
154 HA3 GLY 39 2HA GLY 39 2.702 20.548 3.957
155 H GLY 40 H GLY 40 2.940 20.504 1.005
156 HA2 GLY 40 1HA GLY 40 4.604 21.287 -0.628
157 HA3 GLY 40 2HA GLY 40 5.759 21.463 0.713
158 H THR 41 H THR 41 3.962 18.739 1.308
159 HA THR 41 HA THR 41 6.131 16.968 0.339
160 HB THR 41 HB THR 41 3.641 16.311 1.969
161 HG1 THR 41 HG1 THR 41 4.791 17.365 3.429
162 HG21 THR 41 3HG2 THR 41 6.202 14.750 1.452
163 HG22 THR 41 1HG2 THR 41 4.874 14.242 2.520
164 HG23 THR 41 2HG2 THR 41 4.604 14.379 0.766
165 H LEU 42 H LEU 42 5.985 15.401 -1.138
166 HA LEU 42 HA LEU 42 3.624 15.670 -2.955
167 HB2 LEU 42 1HB LEU 42 6.464 15.095 -3.202
168 HB3 LEU 42 2HB LEU 42 5.467 14.420 -4.511
169 HG LEU 42 HG LEU 42 4.577 16.805 -4.836
170 HD11 LEU 42 1HD1 LEU 42 6.134 18.622 -4.082
171 HD12 LEU 42 2HD1 LEU 42 5.456 17.736 -2.697
172 HD13 LEU 42 3HD1 LEU 42 7.119 17.406 -3.237
173 HD21 LEU 42 3HD2 LEU 42 6.066 15.727 -6.417
174 HD22 LEU 42 1HD2 LEU 42 6.496 17.447 -6.254
175 HD23 LEU 42 2HD2 LEU 42 7.483 16.202 -5.450
176 H PHE 43 H PHE 43 2.874 13.812 -4.110
177 HA PHE 43 HA PHE 43 3.773 11.156 -3.287
178 HB2 PHE 43 1HB PHE 43 1.631 10.392 -2.373
179 HB3 PHE 43 2HB PHE 43 2.230 11.757 -1.403
180 HD1 PHE 43 HD2 PHE 43 1.202 13.976 -1.626
181 HD2 PHE 43 HD1 PHE 43 -0.394 10.517 -3.560
182 HE1 PHE 43 HE2 PHE 43 -0.953 15.147 -1.939
183 HE2 PHE 43 HE1 PHE 43 -2.549 11.686 -3.877
184 HZ PHE 43 HZ PHE 43 -2.828 14.002 -3.067
185 H SER 44 H SER 44 3.050 9.499 -4.588
186 HA SER 44 HA SER 44 0.995 10.059 -6.692
187 HB2 SER 44 1HB SER 44 2.953 11.009 -7.623
188 HB3 SER 44 2HB SER 44 3.779 9.441 -7.473
189 HG SER 44 HG SER 44 2.478 10.142 -9.502
190 H THR 45 H THR 45 0.077 8.205 -7.468
191 HA THR 45 HA THR 45 1.101 5.626 -6.318
192 HB THR 45 HB THR 45 -1.762 6.386 -7.034
193 HG1 THR 45 HG1 THR 45 -0.985 7.346 -5.078
194 HG21 THR 45 3HG2 THR 45 -0.599 3.884 -5.748
195 HG22 THR 45 1HG2 THR 45 -2.329 4.218 -5.996
196 HG23 THR 45 2HG2 THR 45 -1.255 3.995 -7.397
197 H TPO 46 H TPO 46 1.711 4.096 -7.622
198 HA TPO 46 HA TPO 46 1.555 4.626 -10.525
199 HB TPO 46 HB TPO 46 3.160 2.858 -10.776
200 HG21 TPO 46 1HG2 TPO 46 4.966 3.550 -9.241
201 HG22 TPO 46 2HG2 TPO 46 4.070 4.961 -9.852
202 HG23 TPO 46 3HG2 TPO 46 3.772 4.364 -8.204
203 HA PRO 47 HA PRO 47 -1.629 2.014 -11.763
204 HB2 PRO 47 1HB PRO 47 0.362 0.502 -13.509
205 HB3 PRO 47 2HB PRO 47 -1.160 1.272 -13.983
206 HG2 PRO 47 1HG PRO 47 1.146 2.458 -14.596
207 HG3 PRO 47 2HG PRO 47 -0.208 3.443 -14.027
208 HD2 PRO 47 1HD PRO 47 2.271 2.552 -12.503
209 HD3 PRO 47 2HD PRO 47 1.421 4.100 -12.433
210 H GLY 48 H GLY 48 1.347 0.467 -10.745
211 HA2 GLY 48 1HA GLY 48 0.285 -2.175 -10.458
212 HA3 GLY 48 2HA GLY 48 1.700 -1.514 -9.605
213 H GLY 49 H GLY 49 0.057 0.723 -8.502
214 HA2 GLY 49 1HA GLY 49 -1.897 0.919 -7.049
215 HA3 GLY 49 2HA GLY 49 -1.705 -0.799 -6.627
216 H THR 50 H THR 50 1.293 0.724 -6.874
217 HA THR 50 HA THR 50 1.597 0.733 -3.928
218 HB THR 50 HB THR 50 3.627 1.249 -6.143
219 HG1 THR 50 HG1 THR 50 2.836 -0.917 -6.074
220 HG21 THR 50 3HG2 THR 50 3.984 0.757 -3.159
221 HG22 THR 50 1HG2 THR 50 5.295 0.922 -4.350
222 HG23 THR 50 2HG2 THR 50 4.235 2.308 -3.994
223 H ARG 51 H ARG 51 1.434 2.407 -2.685
224 HA ARG 51 HA ARG 51 1.239 5.102 -3.916
225 HB2 ARG 51 1HB ARG 51 0.811 4.313 -1.071
226 HB3 ARG 51 2HB ARG 51 0.464 5.879 -1.841
227 HG2 ARG 51 1HG ARG 51 -1.249 4.835 -3.238
228 HG3 ARG 51 2HG ARG 51 -0.881 3.246 -2.523
229 HD2 ARG 51 1HD ARG 51 -1.848 5.597 -0.938
230 HD3 ARG 51 2HD ARG 51 -2.924 4.395 -1.688
231 HE ARG 51 HE ARG 51 -1.206 2.902 0.038
232 HH11 ARG 51 1HH1 ARG 51 -3.445 5.543 0.449
233 HH12 ARG 51 2HH1 ARG 51 -3.807 4.992 2.072
234 HH21 ARG 51 1HH2 ARG 51 -1.603 2.263 1.898
235 HH22 ARG 51 2HH2 ARG 51 -2.756 3.122 2.901
236 H ILE 52 H ILE 52 3.013 6.162 -4.294
237 HA ILE 52 HA ILE 52 5.342 5.790 -2.441
238 HB ILE 52 HB ILE 52 5.213 7.059 -5.216
239 HG12 ILE 52 1HG1 ILE 52 6.342 4.387 -4.427
240 HG13 ILE 52 2HG1 ILE 52 4.741 4.636 -5.163
241 HG21 ILE 52 1HG2 ILE 52 7.679 6.944 -5.098
242 HG22 ILE 52 2HG2 ILE 52 7.021 7.946 -3.784
243 HG23 ILE 52 3HG2 ILE 52 7.569 6.288 -3.448
244 HD11 ILE 52 3HD1 ILE 52 7.410 5.365 -6.420
245 HD12 ILE 52 1HD1 ILE 52 6.403 3.964 -6.853
246 HD13 ILE 52 2HD1 ILE 52 5.809 5.615 -7.157
247 H ILE 53 H ILE 53 5.564 7.110 -0.875
248 HA ILE 53 HA ILE 53 4.543 9.903 -1.150
249 HB ILE 53 HB ILE 53 5.747 8.458 1.257
250 HG12 ILE 53 1HG1 ILE 53 3.724 7.384 0.613
251 HG13 ILE 53 2HG1 ILE 53 3.491 8.317 2.111
252 HG21 ILE 53 1HG2 ILE 53 4.785 10.343 2.535
253 HG22 ILE 53 2HG2 ILE 53 5.966 10.920 1.336
254 HG23 ILE 53 3HG2 ILE 53 4.224 11.086 1.019
255 HD11 ILE 53 3HD1 ILE 53 2.609 9.170 -0.670
256 HD12 ILE 53 1HD1 ILE 53 1.549 8.543 0.613
257 HD13 ILE 53 2HD1 ILE 53 2.378 10.102 0.829
258 H TYR 54 H TYR 54 5.685 11.616 -1.457
259 HA TYR 54 HA TYR 54 8.638 11.179 -1.740
260 HB2 TYR 54 1HB TYR 54 6.775 13.130 -3.109
261 HB3 TYR 54 2HB TYR 54 8.542 13.067 -3.320
262 HD1 TYR 54 HD2 TYR 54 9.549 10.923 -4.279
263 HD2 TYR 54 HD1 TYR 54 5.370 11.760 -4.421
264 HE1 TYR 54 HE2 TYR 54 9.286 9.247 -6.077
265 HE2 TYR 54 HE1 TYR 54 5.088 10.084 -6.223
266 HH TYR 54 HH TYR 54 7.842 8.211 -7.500
267 H ASP 55 H ASP 55 9.652 11.842 -0.004
268 HA ASP 55 HA ASP 55 8.594 14.095 1.576
269 HB2 ASP 55 1HB ASP 55 9.641 11.983 2.654
270 HB3 ASP 55 2HB ASP 55 11.102 12.559 1.814
271 H ARG 56 H ARG 56 8.929 16.089 1.026
272 HA ARG 56 HA ARG 56 10.999 17.004 -0.723
273 HB2 ARG 56 1HB ARG 56 8.956 18.211 -0.332
274 HB3 ARG 56 2HB ARG 56 9.491 18.566 1.327
275 HG2 ARG 56 1HG ARG 56 11.381 19.847 0.472
276 HG3 ARG 56 2HG ARG 56 10.928 19.437 -1.199
277 HD2 ARG 56 1HD ARG 56 9.239 21.023 0.708
278 HD3 ARG 56 2HD ARG 56 10.331 21.712 -0.516
279 HE ARG 56 HE ARG 56 7.664 20.538 -1.135
280 HH11 ARG 56 1HH1 ARG 56 10.726 21.611 -2.411
281 HH12 ARG 56 2HH1 ARG 56 10.023 21.732 -4.012
282 HH21 ARG 56 1HH2 ARG 56 6.842 20.680 -2.961
283 HH22 ARG 56 2HH2 ARG 56 7.807 21.203 -4.326
284 H LYS 57 H LYS 57 13.071 17.152 -0.483
285 HA LYS 57 HA LYS 57 14.387 16.551 1.995
286 HB2 LYS 57 1HB LYS 57 15.347 17.828 -0.567
287 HB3 LYS 57 2HB LYS 57 16.414 17.421 0.799
288 HG2 LYS 57 1HG LYS 57 15.794 15.046 0.572
289 HG3 LYS 57 2HG LYS 57 14.741 15.455 -0.803
290 HD2 LYS 57 1HD LYS 57 16.691 16.302 -2.047
291 HD3 LYS 57 2HD LYS 57 17.745 15.886 -0.674
292 HE2 LYS 57 1HE LYS 57 17.090 13.515 -0.910
293 HE3 LYS 57 2HE LYS 57 16.086 13.946 -2.314
294 HZ1 LYS 57 3HZ LYS 57 19.011 14.288 -2.129
295 HZ2 LYS 57 1HZ LYS 57 18.236 13.107 -2.982
296 HZ3 LYS 57 2HZ LYS 57 18.079 14.688 -3.431
297 H PHE 58 H PHE 58 13.315 19.556 0.565
298 HA PHE 58 HA PHE 58 14.627 21.036 2.822
299 HB2 PHE 58 1HB PHE 58 13.638 22.093 0.137
300 HB3 PHE 58 2HB PHE 58 14.442 23.039 1.410
301 HD1 PHE 58 HD2 PHE 58 16.814 22.567 1.969
302 HD2 PHE 58 HD1 PHE 58 14.858 20.862 -1.425
303 HE1 PHE 58 HE2 PHE 58 19.013 22.067 0.955
304 HE2 PHE 58 HE1 PHE 58 17.055 20.358 -2.440
305 HZ PHE 58 HZ PHE 58 19.133 20.960 -1.249
306 H LEU 59 H LEU 59 12.160 19.502 3.026
307 HA LEU 59 HA LEU 59 9.844 21.130 2.884
308 HB2 LEU 59 1HB LEU 59 9.910 18.813 3.223
309 HB3 LEU 59 2HB LEU 59 10.512 18.908 4.893
310 HG LEU 59 HG LEU 59 8.432 20.234 5.459
311 HD11 LEU 59 1HD1 LEU 59 6.492 19.995 3.886
312 HD12 LEU 59 2HD1 LEU 59 7.833 20.886 3.129
313 HD13 LEU 59 3HD1 LEU 59 7.558 19.176 2.721
314 HD21 LEU 59 3HD2 LEU 59 8.656 17.897 6.067
315 HD22 LEU 59 1HD2 LEU 59 6.974 18.244 5.599
316 HD23 LEU 59 2HD2 LEU 59 8.056 17.394 4.469
317 H LEU 60 H LEU 60 9.324 22.949 3.770
318 HA LEU 60 HA LEU 60 10.704 23.823 6.246
319 HB2 LEU 60 1HB LEU 60 8.737 25.055 4.430
320 HB3 LEU 60 2HB LEU 60 9.428 25.997 5.771
321 HG LEU 60 HG LEU 60 10.928 24.881 3.369
322 HD11 LEU 60 1HD1 LEU 60 11.293 27.300 2.815
323 HD12 LEU 60 2HD1 LEU 60 9.560 26.902 2.861
324 HD13 LEU 60 3HD1 LEU 60 10.314 27.756 4.229
325 HD21 LEU 60 3HD2 LEU 60 12.297 24.788 5.367
326 HD22 LEU 60 1HD2 LEU 60 12.892 26.068 4.284
327 HD23 LEU 60 2HD2 LEU 60 11.940 26.495 5.727
328 H ASP 61 H ASP 61 7.412 23.144 5.086
329 HA ASP 61 HA ASP 61 6.341 23.436 7.824
330 HB2 ASP 61 1HB ASP 61 5.021 24.060 5.642
331 HB3 ASP 61 2HB ASP 61 5.082 22.294 5.419
332 H ARG 62 H ARG 62 7.859 21.836 8.688
333 HA ARG 62 HA ARG 62 7.376 19.024 7.973
334 HB2 ARG 62 1HB ARG 62 9.025 20.255 10.135
335 HB3 ARG 62 2HB ARG 62 8.873 18.513 9.808
336 HG2 ARG 62 1HG ARG 62 9.863 18.804 7.606
337 HG3 ARG 62 2HG ARG 62 9.929 20.568 7.841
338 HD2 ARG 62 1HD ARG 62 11.394 18.576 9.538
339 HD3 ARG 62 2HD ARG 62 12.077 19.380 8.105
340 HE ARG 62 HE ARG 62 11.346 21.505 9.851
341 HH11 ARG 62 1HH1 ARG 62 13.376 18.686 10.153
342 HH12 ARG 62 2HH1 ARG 62 14.408 19.544 11.281
343 HH21 ARG 62 1HH2 ARG 62 12.512 22.497 11.147
344 HH22 ARG 62 2HH2 ARG 62 13.916 21.717 11.849
Start of MODEL 7
1 H2 PRO 18 1H PRO 18 0.025 -0.890 -0.135
2 H3 PRO 18 2H PRO 18 0.705 -1.142 1.179
3 HA PRO 18 HA PRO 18 2.898 -0.962 0.249
4 HB2 PRO 18 1HB PRO 18 2.503 -0.351 -2.410
5 HB3 PRO 18 2HB PRO 18 2.112 -1.960 -1.787
6 HG2 PRO 18 1HG PRO 18 0.260 0.386 -2.311
7 HG3 PRO 18 2HG PRO 18 0.027 -1.324 -2.701
8 HD2 PRO 18 1HD PRO 18 -1.115 -0.176 -0.475
9 HD3 PRO 18 2HD PRO 18 -0.625 -1.875 -0.492
10 H THR 19 H THR 19 3.958 0.585 1.176
11 HA THR 19 HA THR 19 3.587 3.352 0.069
12 HB THR 19 HB THR 19 4.509 2.533 2.856
13 HG1 THR 19 HG1 THR 19 2.515 3.574 3.449
14 HG21 THR 19 3HG2 THR 19 4.042 5.274 1.617
15 HG22 THR 19 1HG2 THR 19 4.467 4.959 3.316
16 HG23 THR 19 2HG2 THR 19 5.627 4.573 2.022
17 H ARG 20 H ARG 20 5.209 4.295 -0.880
18 HA ARG 20 HA ARG 20 7.944 3.124 -0.473
19 HB2 ARG 20 1HB ARG 20 7.146 2.424 -2.585
20 HB3 ARG 20 2HB ARG 20 6.744 4.100 -3.027
21 HG2 ARG 20 1HG ARG 20 9.112 4.706 -2.950
22 HG3 ARG 20 2HG ARG 20 9.533 3.047 -2.460
23 HD2 ARG 20 1HD ARG 20 8.751 2.210 -4.574
24 HD3 ARG 20 2HD ARG 20 8.279 3.854 -5.065
25 HE ARG 20 HE ARG 20 11.125 3.896 -4.596
26 HH11 ARG 20 1HH1 ARG 20 8.903 2.331 -6.780
27 HH12 ARG 20 2HH1 ARG 20 10.138 2.299 -8.023
28 HH21 ARG 20 1HH2 ARG 20 12.552 3.859 -6.007
29 HH22 ARG 20 2HH2 ARG 20 12.220 3.170 -7.583
30 H THR 21 H THR 21 9.487 4.429 0.120
31 HA THR 21 HA THR 21 8.865 7.350 0.220
32 HB THR 21 HB THR 21 11.019 5.733 1.646
33 HG1 THR 21 HG1 THR 21 9.677 6.217 3.484
34 HG21 THR 21 3HG2 THR 21 10.179 8.645 1.927
35 HG22 THR 21 1HG2 THR 21 11.383 7.808 2.935
36 HG23 THR 21 2HG2 THR 21 11.698 8.067 1.202
37 H VAL 22 H VAL 22 9.630 8.634 -1.238
38 HA VAL 22 HA VAL 22 12.342 8.040 -2.409
39 HB VAL 22 HB VAL 22 9.899 9.143 -3.859
40 HG11 VAL 22 1HG1 VAL 22 11.379 9.145 -5.839
41 HG12 VAL 22 2HG1 VAL 22 12.010 10.215 -4.566
42 HG13 VAL 22 3HG1 VAL 22 12.739 8.612 -4.823
43 HG21 VAL 22 3HG2 VAL 22 9.747 6.745 -3.543
44 HG22 VAL 22 1HG2 VAL 22 10.070 7.139 -5.247
45 HG23 VAL 22 2HG2 VAL 22 11.384 6.535 -4.210
46 H ALA 23 H ALA 23 13.779 9.532 -2.305
47 HA ALA 23 HA ALA 23 12.956 12.149 -1.188
48 HB1 ALA 23 3HB ALA 23 15.709 10.955 -1.659
49 HB2 ALA 23 1HB ALA 23 15.372 12.502 -0.850
50 HB3 ALA 23 2HB ALA 23 14.825 10.976 -0.115
51 H ILE 24 H ILE 24 13.387 14.120 -2.100
52 HA ILE 24 HA ILE 24 14.327 14.087 -4.956
53 HB ILE 24 HB ILE 24 12.126 15.822 -3.742
54 HG12 ILE 24 1HG1 ILE 24 11.965 13.640 -5.806
55 HG13 ILE 24 2HG1 ILE 24 11.432 13.528 -4.111
56 HG21 ILE 24 1HG2 ILE 24 11.862 16.671 -6.049
57 HG22 ILE 24 2HG2 ILE 24 13.494 17.006 -5.426
58 HG23 ILE 24 3HG2 ILE 24 13.237 15.671 -6.574
59 HD11 ILE 24 3HD1 ILE 24 10.298 15.409 -6.213
60 HD12 ILE 24 1HD1 ILE 24 9.525 13.922 -5.620
61 HD13 ILE 24 2HD1 ILE 24 9.767 15.297 -4.518
62 H SER 25 H SER 25 16.368 14.638 -4.629
63 HA SER 25 HA SER 25 17.117 16.882 -2.834
64 HB2 SER 25 1HB SER 25 19.286 16.409 -3.348
65 HB3 SER 25 2HB SER 25 18.423 14.897 -2.986
66 HG SER 25 HG SER 25 19.793 14.723 -4.812
67 H ASP 26 H ASP 26 16.248 16.384 -6.176
68 HA ASP 26 HA ASP 26 16.687 19.229 -6.779
69 HB2 ASP 26 1HB ASP 26 18.928 17.741 -7.288
70 HB3 ASP 26 2HB ASP 26 17.841 17.309 -8.632
71 H ALA 27 H ALA 27 16.073 19.717 -9.079
72 HA ALA 27 HA ALA 27 13.445 18.717 -9.571
73 HB1 ALA 27 3HB ALA 27 15.347 20.167 -11.444
74 HB2 ALA 27 1HB ALA 27 13.600 19.953 -11.697
75 HB3 ALA 27 2HB ALA 27 14.188 20.930 -10.331
76 H ALA 28 H ALA 28 16.588 17.600 -10.568
77 HA ALA 28 HA ALA 28 15.799 15.918 -12.725
78 HB1 ALA 28 3HB ALA 28 17.987 15.503 -10.659
79 HB2 ALA 28 1HB ALA 28 17.840 14.637 -12.206
80 HB3 ALA 28 2HB ALA 28 18.148 16.391 -12.193
81 H GLN 29 H GLN 29 15.333 15.636 -9.289
82 HA GLN 29 HA GLN 29 14.479 12.791 -9.602
83 HB2 GLN 29 1HB GLN 29 14.818 14.457 -7.101
84 HB3 GLN 29 2HB GLN 29 14.495 12.710 -7.188
85 HG2 GLN 29 1HG GLN 29 17.248 14.020 -7.953
86 HG3 GLN 29 2HG GLN 29 16.576 13.077 -6.603
87 HE21 GLN 29 2HE2 GLN 29 18.312 12.927 -9.451
88 HE22 GLN 29 1HE2 GLN 29 18.113 11.246 -9.813
89 H LEU 30 H LEU 30 13.113 15.648 -10.097
90 HA LEU 30 HA LEU 30 10.608 15.084 -8.589
91 HB2 LEU 30 1HB LEU 30 11.547 17.212 -8.506
92 HB3 LEU 30 2HB LEU 30 11.463 17.513 -10.257
93 HG LEU 30 HG LEU 30 8.932 17.148 -10.026
94 HD11 LEU 30 1HD1 LEU 30 8.004 17.642 -7.748
95 HD12 LEU 30 2HD1 LEU 30 8.991 16.162 -7.737
96 HD13 LEU 30 3HD1 LEU 30 9.660 17.684 -7.100
97 HD21 LEU 30 3HD2 LEU 30 9.917 19.319 -10.460
98 HD22 LEU 30 1HD2 LEU 30 8.548 19.489 -9.336
99 HD23 LEU 30 2HD2 LEU 30 10.218 19.563 -8.724
100 HA PRO 31 HA PRO 31 9.000 13.221 -12.309
101 HB2 PRO 31 1HB PRO 31 6.672 12.318 -11.150
102 HB3 PRO 31 2HB PRO 31 8.201 11.477 -10.861
103 HG2 PRO 31 1HG PRO 31 6.786 13.515 -9.107
104 HG3 PRO 31 2HG PRO 31 7.519 11.974 -8.646
105 HD2 PRO 31 1HD PRO 31 8.848 14.342 -8.290
106 HD3 PRO 31 2HD PRO 31 9.723 12.857 -8.686
107 H HIS 32 H HIS 32 6.656 13.287 -13.217
108 HA HIS 32 HA HIS 32 5.680 16.110 -12.941
109 HB2 HIS 32 1HB HIS 32 5.885 14.455 -15.499
110 HB3 HIS 32 2HB HIS 32 5.175 16.082 -15.364
111 HD1 HIS 32 HD1 HIS 32 7.033 17.889 -14.257
112 HD2 HIS 32 HD2 HIS 32 8.553 14.557 -16.344
113 HE1 HIS 32 HE1 HIS 32 9.287 18.508 -14.967
114 H ASP 33 H ASP 33 4.970 12.901 -12.507
115 HA ASP 33 HA ASP 33 2.042 13.378 -12.955
116 HB2 ASP 33 1HB ASP 33 1.807 10.909 -13.052
117 HB3 ASP 33 2HB ASP 33 3.031 11.605 -14.142
118 H TYR 34 H TYR 34 3.339 14.553 -10.752
119 HA TYR 34 HA TYR 34 2.385 12.837 -8.483
120 HB2 TYR 34 1HB TYR 34 3.925 13.922 -7.085
121 HB3 TYR 34 2HB TYR 34 4.812 13.479 -8.564
122 HD1 TYR 34 HD1 TYR 34 3.348 16.292 -6.655
123 HD2 TYR 34 HD2 TYR 34 5.725 15.174 -10.013
124 HE1 TYR 34 HE1 TYR 34 4.058 18.650 -6.927
125 HE2 TYR 34 HE2 TYR 34 6.444 17.522 -10.299
126 HH TYR 34 HH TYR 34 6.292 19.656 -9.519
127 H CYS 35 H CYS 35 1.393 13.881 -6.676
128 HA CYS 35 HA CYS 35 0.139 16.576 -7.297
129 HB2 CYS 35 1HB CYS 35 -0.921 14.076 -5.906
130 HB3 CYS 35 2HB CYS 35 -1.796 15.619 -6.064
131 HG CYS 35 HG CYS 35 -2.835 13.850 -7.559
132 H THR 36 H THR 36 -0.580 17.657 -5.264
133 HA THR 36 HA THR 36 1.226 17.076 -2.950
134 HB THR 36 HB THR 36 0.753 19.834 -4.156
135 HG1 THR 36 HG1 THR 36 3.026 19.665 -4.623
136 HG21 THR 36 3HG2 THR 36 2.500 18.901 -1.844
137 HG22 THR 36 1HG2 THR 36 2.419 20.559 -2.484
138 HG23 THR 36 2HG2 THR 36 0.994 19.837 -1.697
139 H TPO 37 H TPO 37 0.357 17.211 -1.022
140 HA TPO 37 HA TPO 37 -2.531 17.817 -0.864
141 HB TPO 37 HB TPO 37 -2.443 16.898 1.353
142 HG21 TPO 37 1HG2 TPO 37 -1.414 14.686 0.977
143 HG22 TPO 37 2HG2 TPO 37 -2.301 15.232 -0.466
144 HG23 TPO 37 3HG2 TPO 37 -0.526 15.336 -0.421
145 HA PRO 38 HA PRO 38 -2.560 21.817 0.754
146 HB2 PRO 38 1HB PRO 38 -3.933 20.720 3.248
147 HB3 PRO 38 2HB PRO 38 -4.457 22.037 2.189
148 HG2 PRO 38 1HG PRO 38 -5.673 19.673 2.023
149 HG3 PRO 38 2HG PRO 38 -5.300 20.557 0.539
150 HD2 PRO 38 1HD PRO 38 -3.865 18.157 1.734
151 HD3 PRO 38 2HD PRO 38 -4.191 18.522 0.036
152 H GLY 39 H GLY 39 -1.503 19.275 2.953
153 HA2 GLY 39 1HA GLY 39 -0.144 20.999 4.794
154 HA3 GLY 39 2HA GLY 39 0.194 19.273 4.524
155 H GLY 40 H GLY 40 0.746 19.585 1.681
156 HA2 GLY 40 1HA GLY 40 2.252 20.925 0.282
157 HA3 GLY 40 2HA GLY 40 3.201 21.293 1.741
158 H THR 41 H THR 41 1.956 18.082 1.403
159 HA THR 41 HA THR 41 4.726 17.081 0.914
160 HB THR 41 HB THR 41 2.226 15.635 1.889
161 HG1 THR 41 HG1 THR 41 2.906 16.694 3.637
162 HG21 THR 41 3HG2 THR 41 5.112 14.698 1.641
163 HG22 THR 41 1HG2 THR 41 3.775 13.770 2.363
164 HG23 THR 41 2HG2 THR 41 3.755 14.160 0.625
165 H LEU 42 H LEU 42 5.352 16.157 -0.869
166 HA LEU 42 HA LEU 42 3.429 15.898 -3.086
167 HB2 LEU 42 1HB LEU 42 6.286 15.776 -2.618
168 HB3 LEU 42 2HB LEU 42 5.782 14.935 -4.103
169 HG LEU 42 HG LEU 42 4.626 17.117 -4.767
170 HD11 LEU 42 1HD1 LEU 42 5.569 19.190 -3.714
171 HD12 LEU 42 2HD1 LEU 42 4.709 18.192 -2.518
172 HD13 LEU 42 3HD1 LEU 42 6.488 18.175 -2.577
173 HD21 LEU 42 3HD2 LEU 42 6.657 16.336 -5.836
174 HD22 LEU 42 1HD2 LEU 42 6.712 18.104 -5.649
175 HD23 LEU 42 2HD2 LEU 42 7.649 17.063 -4.549
176 H PHE 43 H PHE 43 2.748 14.105 -4.089
177 HA PHE 43 HA PHE 43 3.814 11.470 -3.300
178 HB2 PHE 43 1HB PHE 43 1.686 10.565 -2.560
179 HB3 PHE 43 2HB PHE 43 2.039 12.001 -1.573
180 HD1 PHE 43 HD2 PHE 43 0.855 14.123 -2.024
181 HD2 PHE 43 HD1 PHE 43 -0.221 10.444 -3.910
182 HE1 PHE 43 HE2 PHE 43 -1.354 15.069 -2.604
183 HE2 PHE 43 HE1 PHE 43 -2.430 11.387 -4.493
184 HZ PHE 43 HZ PHE 43 -2.996 13.701 -3.841
185 H SER 44 H SER 44 3.093 9.740 -4.616
186 HA SER 44 HA SER 44 1.342 10.395 -6.965
187 HB2 SER 44 1HB SER 44 3.462 11.092 -7.699
188 HB3 SER 44 2HB SER 44 4.131 9.484 -7.337
189 HG SER 44 HG SER 44 2.488 10.310 -9.399
190 H THR 45 H THR 45 0.077 8.703 -7.412
191 HA THR 45 HA THR 45 0.865 6.020 -6.320
192 HB THR 45 HB THR 45 -1.921 7.114 -6.900
193 HG1 THR 45 HG1 THR 45 -0.931 7.976 -4.991
194 HG21 THR 45 3HG2 THR 45 -1.002 4.493 -5.654
195 HG22 THR 45 1HG2 THR 45 -2.690 5.031 -5.817
196 HG23 THR 45 2HG2 THR 45 -1.723 4.679 -7.270
197 H TPO 46 H TPO 46 1.258 4.441 -7.643
198 HA TPO 46 HA TPO 46 0.855 4.935 -10.544
199 HB TPO 46 HB TPO 46 2.400 3.140 -10.920
200 HG21 TPO 46 1HG2 TPO 46 4.373 3.839 -9.609
201 HG22 TPO 46 2HG2 TPO 46 3.435 5.249 -10.156
202 HG23 TPO 46 3HG2 TPO 46 3.312 4.699 -8.469
203 HA PRO 47 HA PRO 47 -2.474 2.341 -11.348
204 HB2 PRO 47 1HB PRO 47 -0.702 0.717 -13.224
205 HB3 PRO 47 2HB PRO 47 -2.251 1.499 -13.571
206 HG2 PRO 47 1HG PRO 47 -0.002 2.610 -14.468
207 HG3 PRO 47 2HG PRO 47 -1.272 3.645 -13.802
208 HD2 PRO 47 1HD PRO 47 1.338 2.763 -12.509
209 HD3 PRO 47 2HD PRO 47 0.526 4.331 -12.412
210 H GLY 48 H GLY 48 0.561 0.765 -10.576
211 HA2 GLY 48 1HA GLY 48 -0.522 -1.838 -10.076
212 HA3 GLY 48 2HA GLY 48 0.990 -1.183 -9.405
213 H GLY 49 H GLY 49 -0.514 1.140 -8.244
214 HA2 GLY 49 1HA GLY 49 -2.343 1.370 -6.610
215 HA3 GLY 49 2HA GLY 49 -2.001 -0.293 -6.076
216 H THR 50 H THR 50 0.978 0.668 -6.587
217 HA THR 50 HA THR 50 1.589 1.096 -3.801
218 HB THR 50 HB THR 50 3.317 1.623 -6.256
219 HG1 THR 50 HG1 THR 50 3.105 -0.503 -6.346
220 HG21 THR 50 3HG2 THR 50 4.040 1.173 -3.333
221 HG22 THR 50 1HG2 THR 50 5.194 1.362 -4.673
222 HG23 THR 50 2HG2 THR 50 4.147 2.722 -4.203
223 H ARG 51 H ARG 51 1.699 2.810 -2.588
224 HA ARG 51 HA ARG 51 1.293 5.468 -3.892
225 HB2 ARG 51 1HB ARG 51 0.930 4.650 -1.044
226 HB3 ARG 51 2HB ARG 51 0.711 6.284 -1.712
227 HG2 ARG 51 1HG ARG 51 -1.135 5.528 -3.085
228 HG3 ARG 51 2HG ARG 51 -0.870 3.843 -2.571
229 HD2 ARG 51 1HD ARG 51 -1.449 4.474 -0.294
230 HD3 ARG 51 2HD ARG 51 -1.767 6.133 -0.850
231 HE ARG 51 HE ARG 51 -3.534 4.327 -2.291
232 HH11 ARG 51 1HH1 ARG 51 -3.066 5.550 0.941
233 HH12 ARG 51 2HH1 ARG 51 -4.781 5.386 1.258
234 HH21 ARG 51 1HH2 ARG 51 -5.499 4.126 -1.941
235 HH22 ARG 51 2HH2 ARG 51 -6.171 4.573 -0.385
236 H ILE 52 H ILE 52 3.003 6.593 -4.334
237 HA ILE 52 HA ILE 52 5.454 6.249 -2.651
238 HB ILE 52 HB ILE 52 5.039 7.676 -5.320
239 HG12 ILE 52 1HG1 ILE 52 6.449 5.082 -4.765
240 HG13 ILE 52 2HG1 ILE 52 4.780 5.218 -5.365
241 HG21 ILE 52 1HG2 ILE 52 7.508 7.774 -5.373
242 HG22 ILE 52 2HG2 ILE 52 6.864 8.646 -3.964
243 HG23 ILE 52 3HG2 ILE 52 7.574 7.027 -3.760
244 HD11 ILE 52 3HD1 ILE 52 7.266 6.250 -6.774
245 HD12 ILE 52 1HD1 ILE 52 6.355 4.787 -7.208
246 HD13 ILE 52 2HD1 ILE 52 5.597 6.388 -7.373
247 H ILE 53 H ILE 53 5.824 7.489 -1.051
248 HA ILE 53 HA ILE 53 4.788 10.302 -1.130
249 HB ILE 53 HB ILE 53 5.935 8.650 1.169
250 HG12 ILE 53 1HG1 ILE 53 3.118 9.601 0.731
251 HG13 ILE 53 2HG1 ILE 53 3.709 7.970 0.337
252 HG21 ILE 53 1HG2 ILE 53 5.220 10.548 2.582
253 HG22 ILE 53 2HG2 ILE 53 6.428 11.063 1.382
254 HG23 ILE 53 3HG2 ILE 53 4.708 11.438 1.129
255 HD11 ILE 53 3HD1 ILE 53 3.689 9.236 3.100
256 HD12 ILE 53 1HD1 ILE 53 2.556 7.997 2.515
257 HD13 ILE 53 2HD1 ILE 53 4.281 7.604 2.706
258 H TYR 54 H TYR 54 5.981 11.982 -1.408
259 HA TYR 54 HA TYR 54 8.880 11.430 -1.897
260 HB2 TYR 54 1HB TYR 54 7.012 13.588 -2.894
261 HB3 TYR 54 2HB TYR 54 8.767 13.554 -3.196
262 HD1 TYR 54 HD2 TYR 54 9.728 11.625 -4.521
263 HD2 TYR 54 HD1 TYR 54 5.529 12.315 -4.244
264 HE1 TYR 54 HE2 TYR 54 9.373 10.189 -6.501
265 HE2 TYR 54 HE1 TYR 54 5.155 10.879 -6.227
266 HH TYR 54 HH TYR 54 7.852 9.293 -7.940
267 H ASP 55 H ASP 55 10.385 12.200 -0.647
268 HA ASP 55 HA ASP 55 9.719 14.506 1.141
269 HB2 ASP 55 1HB ASP 55 10.722 12.382 2.210
270 HB3 ASP 55 2HB ASP 55 12.050 12.697 1.066
271 H ARG 56 H ARG 56 9.962 16.327 0.049
272 HA ARG 56 HA ARG 56 12.166 16.574 -1.911
273 HB2 ARG 56 1HB ARG 56 9.829 17.326 -2.337
274 HB3 ARG 56 2HB ARG 56 10.166 18.663 -1.212
275 HG2 ARG 56 1HG ARG 56 12.013 19.410 -2.641
276 HG3 ARG 56 2HG ARG 56 11.701 18.061 -3.759
277 HD2 ARG 56 1HD ARG 56 10.777 19.947 -4.741
278 HD3 ARG 56 2HD ARG 56 9.411 19.026 -4.069
279 HE ARG 56 HE ARG 56 10.171 21.190 -2.237
280 HH11 ARG 56 1HH1 ARG 56 8.508 20.615 -5.248
281 HH12 ARG 56 2HH1 ARG 56 7.506 22.026 -4.971
282 HH21 ARG 56 1HH2 ARG 56 9.038 22.813 -1.910
283 HH22 ARG 56 2HH2 ARG 56 7.808 23.281 -3.068
284 H LYS 57 H LYS 57 13.927 17.784 -1.767
285 HA LYS 57 HA LYS 57 15.069 18.504 0.699
286 HB2 LYS 57 1HB LYS 57 16.299 18.346 -1.404
287 HB3 LYS 57 2HB LYS 57 15.461 19.796 -2.006
288 HG2 LYS 57 1HG LYS 57 16.512 21.157 -0.269
289 HG3 LYS 57 2HG LYS 57 17.305 19.714 0.406
290 HD2 LYS 57 1HD LYS 57 18.546 19.401 -1.692
291 HD3 LYS 57 2HD LYS 57 17.739 20.828 -2.386
292 HE2 LYS 57 1HE LYS 57 18.735 22.245 -0.646
293 HE3 LYS 57 2HE LYS 57 19.534 20.822 0.060
294 HZ1 LYS 57 3HZ LYS 57 20.015 21.890 -2.647
295 HZ2 LYS 57 1HZ LYS 57 21.023 22.067 -1.354
296 HZ3 LYS 57 2HZ LYS 57 20.756 20.569 -1.993
297 H PHE 58 H PHE 58 13.009 20.457 -1.428
298 HA PHE 58 HA PHE 58 12.870 22.492 0.776
299 HB2 PHE 58 1HB PHE 58 12.368 22.842 -2.214
300 HB3 PHE 58 2HB PHE 58 12.212 24.107 -0.975
301 HD1 PHE 58 HD2 PHE 58 14.314 24.635 0.406
302 HD2 PHE 58 HD1 PHE 58 14.350 22.546 -3.320
303 HE1 PHE 58 HE2 PHE 58 16.693 25.234 0.095
304 HE2 PHE 58 HE1 PHE 58 16.728 23.141 -3.634
305 HZ PHE 58 HZ PHE 58 17.900 24.485 -1.926
306 H LEU 59 H LEU 59 11.391 20.128 0.945
307 HA LEU 59 HA LEU 59 8.792 20.267 -0.204
308 HB2 LEU 59 1HB LEU 59 9.884 18.430 0.882
309 HB3 LEU 59 2HB LEU 59 9.547 19.057 2.511
310 HG LEU 59 HG LEU 59 7.082 19.048 1.853
311 HD11 LEU 59 1HD1 LEU 59 6.463 17.465 0.009
312 HD12 LEU 59 2HD1 LEU 59 7.429 18.827 -0.606
313 HD13 LEU 59 3HD1 LEU 59 8.190 17.238 -0.354
314 HD21 LEU 59 3HD2 LEU 59 8.025 17.421 3.383
315 HD22 LEU 59 1HD2 LEU 59 6.816 16.640 2.337
316 HD23 LEU 59 2HD2 LEU 59 8.552 16.403 2.022
317 H LEU 60 H LEU 60 6.953 21.248 0.242
318 HA LEU 60 HA LEU 60 7.030 23.659 1.816
319 HB2 LEU 60 1HB LEU 60 4.891 22.004 0.654
320 HB3 LEU 60 2HB LEU 60 4.462 23.569 1.383
321 HG LEU 60 HG LEU 60 6.292 23.142 -1.011
322 HD11 LEU 60 1HD1 LEU 60 4.463 24.287 -2.292
323 HD12 LEU 60 2HD1 LEU 60 3.882 22.785 -1.538
324 HD13 LEU 60 3HD1 LEU 60 3.488 24.358 -0.806
325 HD21 LEU 60 3HD2 LEU 60 6.994 25.037 0.329
326 HD22 LEU 60 1HD2 LEU 60 6.277 25.606 -1.198
327 HD23 LEU 60 2HD2 LEU 60 5.341 25.697 0.313
328 H ASP 61 H ASP 61 5.901 20.387 2.478
329 HA ASP 61 HA ASP 61 4.826 21.159 5.108
330 HB2 ASP 61 1HB ASP 61 3.883 19.189 3.717
331 HB3 ASP 61 2HB ASP 61 5.512 18.519 3.982
332 H ARG 62 H ARG 62 6.269 21.944 6.473
333 HA ARG 62 HA ARG 62 8.728 20.288 6.954
334 HB2 ARG 62 1HB ARG 62 8.425 23.246 7.212
335 HB3 ARG 62 2HB ARG 62 9.835 22.283 7.709
336 HG2 ARG 62 1HG ARG 62 10.208 21.602 5.388
337 HG3 ARG 62 2HG ARG 62 8.772 22.523 4.878
338 HD2 ARG 62 1HD ARG 62 9.851 24.575 5.583
339 HD3 ARG 62 2HD ARG 62 11.290 23.646 6.064
340 HE ARG 62 HE ARG 62 10.867 23.207 3.232
341 HH11 ARG 62 1HH1 ARG 62 11.712 25.832 5.366
342 HH12 ARG 62 2HH1 ARG 62 12.646 26.580 4.086
343 HH21 ARG 62 1HH2 ARG 62 11.927 24.055 1.754
344 HH22 ARG 62 2HH2 ARG 62 12.770 25.568 2.026
Start of MODEL 8
1 H2 PRO 18 1H PRO 18 -0.315 -1.537 -1.819
2 H3 PRO 18 2H PRO 18 -0.386 -1.742 -0.335
3 HA PRO 18 HA PRO 18 1.969 -1.475 -0.036
4 HB2 PRO 18 1HB PRO 18 2.299 -0.651 -2.918
5 HB3 PRO 18 2HB PRO 18 2.987 -2.054 -2.089
6 HG2 PRO 18 1HG PRO 18 0.999 -2.380 -3.861
7 HG3 PRO 18 2HG PRO 18 1.045 -3.359 -2.388
8 HD2 PRO 18 1HD PRO 18 -0.648 -0.884 -2.972
9 HD3 PRO 18 2HD PRO 18 -1.137 -2.401 -2.206
10 H THR 19 H THR 19 3.050 0.022 0.889
11 HA THR 19 HA THR 19 2.781 2.822 -0.153
12 HB THR 19 HB THR 19 2.913 1.965 2.768
13 HG1 THR 19 HG1 THR 19 0.772 2.874 2.785
14 HG21 THR 19 3HG2 THR 19 2.645 4.710 1.480
15 HG22 THR 19 1HG2 THR 19 2.593 4.371 3.226
16 HG23 THR 19 2HG2 THR 19 4.092 4.088 2.309
17 H ARG 20 H ARG 20 4.558 3.904 -0.510
18 HA ARG 20 HA ARG 20 7.104 2.887 0.693
19 HB2 ARG 20 1HB ARG 20 6.730 3.590 -2.184
20 HB3 ARG 20 2HB ARG 20 8.273 3.254 -1.363
21 HG2 ARG 20 1HG ARG 20 5.989 1.271 -1.558
22 HG3 ARG 20 2HG ARG 20 7.341 1.342 -2.713
23 HD2 ARG 20 1HD ARG 20 8.889 0.920 -0.875
24 HD3 ARG 20 2HD ARG 20 7.501 0.765 0.227
25 HE ARG 20 HE ARG 20 8.322 -1.338 -1.728
26 HH11 ARG 20 1HH1 ARG 20 5.903 -0.217 0.520
27 HH12 ARG 20 2HH1 ARG 20 5.197 -1.819 0.569
28 HH21 ARG 20 1HH2 ARG 20 7.530 -3.182 -1.676
29 HH22 ARG 20 2HH2 ARG 20 6.124 -3.512 -0.682
30 H THR 21 H THR 21 8.849 4.398 0.702
31 HA THR 21 HA THR 21 7.933 7.249 0.577
32 HB THR 21 HB THR 21 9.693 6.005 2.731
33 HG1 THR 21 HG1 THR 21 7.884 6.584 4.073
34 HG21 THR 21 3HG2 THR 21 8.646 8.840 2.368
35 HG22 THR 21 1HG2 THR 21 9.582 8.247 3.760
36 HG23 THR 21 2HG2 THR 21 10.334 8.319 2.149
37 H VAL 22 H VAL 22 9.068 8.459 -0.696
38 HA VAL 22 HA VAL 22 11.981 7.799 -1.102
39 HB VAL 22 HB VAL 22 9.982 8.795 -3.177
40 HG11 VAL 22 1HG1 VAL 22 11.904 8.693 -4.729
41 HG12 VAL 22 2HG1 VAL 22 12.207 9.846 -3.408
42 HG13 VAL 22 3HG1 VAL 22 12.970 8.238 -3.379
43 HG21 VAL 22 3HG2 VAL 22 9.747 6.420 -2.760
44 HG22 VAL 22 1HG2 VAL 22 10.482 6.713 -4.354
45 HG23 VAL 22 2HG2 VAL 22 11.497 6.186 -2.990
46 H ALA 23 H ALA 23 13.391 9.311 -0.835
47 HA ALA 23 HA ALA 23 12.391 12.012 -0.147
48 HB1 ALA 23 3HB ALA 23 15.179 10.813 0.008
49 HB2 ALA 23 1HB ALA 23 14.706 12.425 0.592
50 HB3 ALA 23 2HB ALA 23 14.027 10.969 1.355
51 H ILE 24 H ILE 24 12.724 13.822 -1.270
52 HA ILE 24 HA ILE 24 14.331 13.637 -3.797
53 HB ILE 24 HB ILE 24 12.599 14.969 -4.953
54 HG12 ILE 24 1HG1 ILE 24 10.921 14.559 -2.492
55 HG13 ILE 24 2HG1 ILE 24 11.771 16.065 -2.915
56 HG21 ILE 24 1HG2 ILE 24 10.859 13.226 -5.160
57 HG22 ILE 24 2HG2 ILE 24 12.486 12.507 -5.127
58 HG23 ILE 24 3HG2 ILE 24 11.459 12.450 -3.675
59 HD11 ILE 24 3HD1 ILE 24 9.590 14.732 -4.559
60 HD12 ILE 24 1HD1 ILE 24 9.391 16.179 -3.545
61 HD13 ILE 24 2HD1 ILE 24 10.440 16.236 -4.982
62 H SER 25 H SER 25 14.785 15.735 -4.772
63 HA SER 25 HA SER 25 15.581 17.677 -2.592
64 HB2 SER 25 1HB SER 25 17.276 18.400 -4.013
65 HB3 SER 25 2HB SER 25 17.392 16.663 -3.650
66 HG SER 25 HG SER 25 17.769 17.154 -5.863
67 H ASP 26 H ASP 26 14.032 17.302 -5.773
68 HA ASP 26 HA ASP 26 12.977 20.082 -5.556
69 HB2 ASP 26 1HB ASP 26 15.127 20.073 -7.032
70 HB3 ASP 26 2HB ASP 26 14.173 18.904 -7.980
71 H ALA 27 H ALA 27 10.890 19.847 -5.499
72 HA ALA 27 HA ALA 27 9.448 17.624 -6.502
73 HB1 ALA 27 3HB ALA 27 8.497 20.474 -6.053
74 HB2 ALA 27 1HB ALA 27 7.453 19.047 -6.246
75 HB3 ALA 27 2HB ALA 27 8.531 19.176 -4.837
76 H ALA 28 H ALA 28 10.502 20.582 -8.075
77 HA ALA 28 HA ALA 28 8.714 20.428 -10.311
78 HB1 ALA 28 3HB ALA 28 11.458 21.715 -10.091
79 HB2 ALA 28 1HB ALA 28 10.272 22.009 -11.385
80 HB3 ALA 28 2HB ALA 28 9.901 22.490 -9.711
81 H GLN 29 H GLN 29 11.587 18.691 -9.495
82 HA GLN 29 HA GLN 29 12.032 17.870 -12.321
83 HB2 GLN 29 1HB GLN 29 13.542 17.299 -9.761
84 HB3 GLN 29 2HB GLN 29 13.996 16.695 -11.372
85 HG2 GLN 29 1HG GLN 29 14.335 19.305 -12.049
86 HG3 GLN 29 2HG GLN 29 13.771 19.393 -10.364
87 HE21 GLN 29 2HE2 GLN 29 16.054 20.672 -10.924
88 HE22 GLN 29 1HE2 GLN 29 17.428 19.813 -10.309
89 H LEU 30 H LEU 30 10.146 16.917 -9.764
90 HA LEU 30 HA LEU 30 10.434 14.031 -10.039
91 HB2 LEU 30 1HB LEU 30 9.663 15.233 -8.124
92 HB3 LEU 30 2HB LEU 30 8.101 15.645 -8.868
93 HG LEU 30 HG LEU 30 7.766 13.128 -9.192
94 HD11 LEU 30 1HD1 LEU 30 9.041 11.669 -7.597
95 HD12 LEU 30 2HD1 LEU 30 10.129 12.459 -8.763
96 HD13 LEU 30 3HD1 LEU 30 10.003 13.081 -7.100
97 HD21 LEU 30 3HD2 LEU 30 6.530 14.413 -7.549
98 HD22 LEU 30 1HD2 LEU 30 6.940 12.814 -6.885
99 HD23 LEU 30 2HD2 LEU 30 7.861 14.252 -6.378
100 HA PRO 31 HA PRO 31 8.410 13.597 -13.916
101 HB2 PRO 31 1HB PRO 31 8.012 10.785 -12.810
102 HB3 PRO 31 2HB PRO 31 8.669 11.269 -14.379
103 HG2 PRO 31 1HG PRO 31 10.330 10.407 -12.483
104 HG3 PRO 31 2HG PRO 31 10.800 11.790 -13.480
105 HD2 PRO 31 1HD PRO 31 9.764 11.772 -10.618
106 HD3 PRO 31 2HD PRO 31 11.018 12.789 -11.338
107 H HIS 32 H HIS 32 6.465 13.989 -14.555
108 HA HIS 32 HA HIS 32 4.209 13.734 -12.691
109 HB2 HIS 32 1HB HIS 32 4.531 14.728 -15.541
110 HB3 HIS 32 2HB HIS 32 2.921 14.459 -14.832
111 HD1 HIS 32 HD1 HIS 32 2.461 15.848 -12.543
112 HD2 HIS 32 HD2 HIS 32 5.653 17.247 -14.912
113 HE1 HIS 32 HE1 HIS 32 2.835 18.167 -11.870
114 H ASP 33 H ASP 33 2.390 10.995 -13.878
115 HA ASP 33 HA ASP 33 2.316 13.858 -13.080
116 HB2 ASP 33 1HB ASP 33 0.114 11.715 -12.894
117 HB3 ASP 33 2HB ASP 33 0.115 13.443 -12.463
118 H TYR 34 H TYR 34 1.973 14.593 -11.016
119 HA TYR 34 HA TYR 34 1.823 12.629 -8.811
120 HB2 TYR 34 1HB TYR 34 3.675 13.480 -7.602
121 HB3 TYR 34 2HB TYR 34 4.244 12.991 -9.217
122 HD1 TYR 34 HD1 TYR 34 3.462 15.898 -7.054
123 HD2 TYR 34 HD2 TYR 34 5.167 14.601 -10.741
124 HE1 TYR 34 HE1 TYR 34 4.427 18.154 -7.392
125 HE2 TYR 34 HE2 TYR 34 6.137 16.847 -11.094
126 HH TYR 34 HH TYR 34 6.367 18.959 -10.275
127 H CYS 35 H CYS 35 1.452 13.658 -6.714
128 HA CYS 35 HA CYS 35 -0.015 16.302 -6.998
129 HB2 CYS 35 1HB CYS 35 -0.654 13.744 -5.460
130 HB3 CYS 35 2HB CYS 35 -1.625 15.235 -5.449
131 HG CYS 35 HG CYS 35 -2.829 13.400 -6.724
132 H THR 36 H THR 36 -0.325 17.353 -4.870
133 HA THR 36 HA THR 36 1.612 16.658 -2.749
134 HB THR 36 HB THR 36 2.919 18.109 -4.328
135 HG1 THR 36 HG1 THR 36 3.524 19.594 -2.642
136 HG21 THR 36 3HG2 THR 36 0.811 20.175 -3.580
137 HG22 THR 36 1HG2 THR 36 2.302 20.495 -4.496
138 HG23 THR 36 2HG2 THR 36 1.035 19.456 -5.192
139 H TPO 37 H TPO 37 1.266 17.689 -0.780
140 HA TPO 37 HA TPO 37 -1.468 18.884 -0.540
141 HB TPO 37 HB TPO 37 -1.416 18.275 1.781
142 HG21 TPO 37 1HG2 TPO 37 -1.058 15.832 1.691
143 HG22 TPO 37 2HG2 TPO 37 -1.901 16.410 0.234
144 HG23 TPO 37 3HG2 TPO 37 -0.167 16.018 0.162
145 HA PRO 38 HA PRO 38 -0.221 22.900 0.406
146 HB2 PRO 38 1HB PRO 38 -1.687 22.649 3.066
147 HB3 PRO 38 2HB PRO 38 -1.891 23.873 1.805
148 HG2 PRO 38 1HG PRO 38 -3.725 21.959 2.071
149 HG3 PRO 38 2HG PRO 38 -3.221 22.454 0.449
150 HD2 PRO 38 1HD PRO 38 -2.425 19.967 2.013
151 HD3 PRO 38 2HD PRO 38 -2.764 20.131 0.285
152 H GLY 39 H GLY 39 0.276 20.453 2.863
153 HA2 GLY 39 1HA GLY 39 2.016 21.989 4.538
154 HA3 GLY 39 2HA GLY 39 1.950 20.214 4.440
155 H GLY 40 H GLY 40 2.507 20.191 1.551
156 HA2 GLY 40 1HA GLY 40 4.321 20.986 0.095
157 HA3 GLY 40 2HA GLY 40 5.337 21.164 1.545
158 H THR 41 H THR 41 3.342 18.407 1.636
159 HA THR 41 HA THR 41 5.648 16.657 0.902
160 HB THR 41 HB THR 41 3.045 16.002 2.346
161 HG1 THR 41 HG1 THR 41 4.337 17.136 3.741
162 HG21 THR 41 3HG2 THR 41 5.543 14.334 1.850
163 HG22 THR 41 1HG2 THR 41 4.142 13.842 2.829
164 HG23 THR 41 2HG2 THR 41 3.959 14.090 1.076
165 H LEU 42 H LEU 42 5.694 15.383 -0.787
166 HA LEU 42 HA LEU 42 3.397 15.622 -2.671
167 HB2 LEU 42 1HB LEU 42 6.253 15.136 -2.776
168 HB3 LEU 42 2HB LEU 42 5.367 14.425 -4.145
169 HG LEU 42 HG LEU 42 4.382 16.785 -4.483
170 HD11 LEU 42 1HD1 LEU 42 5.859 18.643 -3.670
171 HD12 LEU 42 2HD1 LEU 42 5.166 17.727 -2.312
172 HD13 LEU 42 3HD1 LEU 42 6.854 17.451 -2.801
173 HD21 LEU 42 3HD2 LEU 42 5.952 15.766 -6.024
174 HD22 LEU 42 1HD2 LEU 42 6.323 17.496 -5.836
175 HD23 LEU 42 2HD2 LEU 42 7.323 16.275 -5.010
176 H PHE 43 H PHE 43 2.842 13.776 -4.016
177 HA PHE 43 HA PHE 43 3.628 11.103 -3.199
178 HB2 PHE 43 1HB PHE 43 1.411 10.344 -2.419
179 HB3 PHE 43 2HB PHE 43 2.045 11.614 -1.348
180 HD1 PHE 43 HD2 PHE 43 1.114 13.879 -1.427
181 HD2 PHE 43 HD1 PHE 43 -0.568 10.647 -3.659
182 HE1 PHE 43 HE2 PHE 43 -0.978 15.165 -1.709
183 HE2 PHE 43 HE1 PHE 43 -2.661 11.932 -3.945
184 HZ PHE 43 HZ PHE 43 -2.865 14.191 -2.970
185 H SER 44 H SER 44 3.019 9.519 -4.607
186 HA SER 44 HA SER 44 0.998 10.111 -6.737
187 HB2 SER 44 1HB SER 44 2.898 11.151 -7.618
188 HB3 SER 44 2HB SER 44 3.835 9.651 -7.432
189 HG SER 44 HG SER 44 2.394 10.328 -9.473
190 H THR 45 H THR 45 0.180 8.263 -7.652
191 HA THR 45 HA THR 45 1.168 5.676 -6.496
192 HB THR 45 HB THR 45 -1.607 6.382 -7.542
193 HG1 THR 45 HG1 THR 45 -1.100 7.311 -5.482
194 HG21 THR 45 3HG2 THR 45 -0.540 3.878 -6.177
195 HG22 THR 45 1HG2 THR 45 -2.234 4.174 -6.629
196 HG23 THR 45 2HG2 THR 45 -0.992 4.015 -7.893
197 H TPO 46 H TPO 46 1.983 4.203 -7.750
198 HA TPO 46 HA TPO 46 2.143 4.785 -10.643
199 HB TPO 46 HB TPO 46 3.816 3.068 -10.739
200 HG21 TPO 46 1HG2 TPO 46 5.413 3.771 -8.990
201 HG22 TPO 46 2HG2 TPO 46 4.555 5.173 -9.673
202 HG23 TPO 46 3HG2 TPO 46 4.085 4.530 -8.081
203 HA PRO 47 HA PRO 47 -0.790 2.121 -12.302
204 HB2 PRO 47 1HB PRO 47 1.442 0.644 -13.765
205 HB3 PRO 47 2HB PRO 47 -0.021 1.377 -14.438
206 HG2 PRO 47 1HG PRO 47 2.316 2.615 -14.752
207 HG3 PRO 47 2HG PRO 47 0.878 3.569 -14.364
208 HD2 PRO 47 1HD PRO 47 3.162 2.741 -12.534
209 HD3 PRO 47 2HD PRO 47 2.267 4.266 -12.573
210 H GLY 48 H GLY 48 2.059 0.593 -10.930
211 HA2 GLY 48 1HA GLY 48 0.973 -2.051 -10.764
212 HA3 GLY 48 2HA GLY 48 2.284 -1.389 -9.759
213 H GLY 49 H GLY 49 0.533 0.849 -8.846
214 HA2 GLY 49 1HA GLY 49 -1.572 1.041 -7.617
215 HA3 GLY 49 2HA GLY 49 -1.416 -0.672 -7.165
216 H THR 50 H THR 50 1.576 0.897 -7.106
217 HA THR 50 HA THR 50 1.576 0.877 -4.144
218 HB THR 50 HB THR 50 3.815 1.409 -6.142
219 HG1 THR 50 HG1 THR 50 3.687 -0.708 -6.279
220 HG21 THR 50 3HG2 THR 50 3.879 0.940 -3.136
221 HG22 THR 50 1HG2 THR 50 5.301 1.109 -4.193
222 HG23 THR 50 2HG2 THR 50 4.200 2.487 -3.952
223 H ARG 51 H ARG 51 1.270 2.538 -2.912
224 HA ARG 51 HA ARG 51 1.230 5.250 -4.120
225 HB2 ARG 51 1HB ARG 51 0.537 4.477 -1.326
226 HB3 ARG 51 2HB ARG 51 0.227 6.016 -2.163
227 HG2 ARG 51 1HG ARG 51 -1.282 4.817 -3.730
228 HG3 ARG 51 2HG ARG 51 -1.024 3.325 -2.793
229 HD2 ARG 51 1HD ARG 51 -2.145 5.841 -1.620
230 HD3 ARG 51 2HD ARG 51 -3.141 4.567 -2.360
231 HE ARG 51 HE ARG 51 -1.662 3.282 -0.271
232 HH11 ARG 51 1HH1 ARG 51 -3.941 5.915 -0.466
233 HH12 ARG 51 2HH1 ARG 51 -4.521 5.540 1.144
234 HH21 ARG 51 1HH2 ARG 51 -2.310 2.846 1.578
235 HH22 ARG 51 2HH2 ARG 51 -3.591 3.791 2.312
236 H ILE 52 H ILE 52 3.039 6.301 -4.303
237 HA ILE 52 HA ILE 52 5.142 5.925 -2.193
238 HB ILE 52 HB ILE 52 5.349 7.064 -5.019
239 HG12 ILE 52 1HG1 ILE 52 6.408 4.466 -3.942
240 HG13 ILE 52 2HG1 ILE 52 4.908 4.641 -4.882
241 HG21 ILE 52 1HG2 ILE 52 7.785 7.008 -4.600
242 HG22 ILE 52 2HG2 ILE 52 6.960 8.070 -3.436
243 HG23 ILE 52 3HG2 ILE 52 7.486 6.444 -2.939
244 HD11 ILE 52 3HD1 ILE 52 7.702 5.349 -5.844
245 HD12 ILE 52 1HD1 ILE 52 6.774 3.905 -6.314
246 HD13 ILE 52 2HD1 ILE 52 6.201 5.524 -6.784
247 H ILE 53 H ILE 53 5.319 7.319 -0.689
248 HA ILE 53 HA ILE 53 4.400 10.120 -1.158
249 HB ILE 53 HB ILE 53 5.399 8.703 1.357
250 HG12 ILE 53 1HG1 ILE 53 2.624 9.627 0.670
251 HG13 ILE 53 2HG1 ILE 53 3.215 7.963 0.456
252 HG21 ILE 53 1HG2 ILE 53 4.625 10.733 2.535
253 HG22 ILE 53 2HG2 ILE 53 5.907 11.123 1.364
254 HG23 ILE 53 3HG2 ILE 53 4.209 11.481 0.974
255 HD11 ILE 53 3HD1 ILE 53 3.058 9.469 3.091
256 HD12 ILE 53 1HD1 ILE 53 1.944 8.192 2.554
257 HD13 ILE 53 2HD1 ILE 53 3.651 7.805 2.876
258 H TYR 54 H TYR 54 5.600 11.794 -1.469
259 HA TYR 54 HA TYR 54 8.547 11.261 -1.628
260 HB2 TYR 54 1HB TYR 54 6.787 13.195 -3.149
261 HB3 TYR 54 2HB TYR 54 8.559 13.092 -3.282
262 HD1 TYR 54 HD2 TYR 54 9.603 11.061 -4.282
263 HD2 TYR 54 HD1 TYR 54 5.377 11.626 -4.290
264 HE1 TYR 54 HE2 TYR 54 9.384 9.318 -6.020
265 HE2 TYR 54 HE1 TYR 54 5.139 9.881 -6.033
266 HH TYR 54 HH TYR 54 7.960 8.148 -7.360
267 H ASP 55 H ASP 55 9.657 12.058 -0.038
268 HA ASP 55 HA ASP 55 8.698 14.561 1.281
269 HB2 ASP 55 1HB ASP 55 9.240 12.505 2.740
270 HB3 ASP 55 2HB ASP 55 10.845 12.658 1.982
271 H ARG 56 H ARG 56 9.393 16.354 0.433
272 HA ARG 56 HA ARG 56 11.996 16.475 -0.943
273 HB2 ARG 56 1HB ARG 56 10.040 17.606 -1.823
274 HB3 ARG 56 2HB ARG 56 10.049 18.669 -0.397
275 HG2 ARG 56 1HG ARG 56 12.224 19.554 -1.021
276 HG3 ARG 56 2HG ARG 56 12.320 18.423 -2.392
277 HD2 ARG 56 1HD ARG 56 10.374 19.522 -3.383
278 HD3 ARG 56 2HD ARG 56 10.393 20.696 -2.046
279 HE ARG 56 HE ARG 56 12.928 20.733 -3.568
280 HH11 ARG 56 1HH1 ARG 56 9.651 21.926 -3.556
281 HH12 ARG 56 2HH1 ARG 56 10.147 23.318 -4.497
282 HH21 ARG 56 1HH2 ARG 56 13.511 22.317 -4.654
283 HH22 ARG 56 2HH2 ARG 56 12.349 23.541 -5.125
284 H LYS 57 H LYS 57 13.835 16.760 0.007
285 HA LYS 57 HA LYS 57 14.022 17.435 2.815
286 HB2 LYS 57 1HB LYS 57 16.064 17.224 0.602
287 HB3 LYS 57 2HB LYS 57 16.475 17.577 2.297
288 HG2 LYS 57 1HG LYS 57 15.483 15.419 2.976
289 HG3 LYS 57 2HG LYS 57 15.113 15.063 1.272
290 HD2 LYS 57 1HD LYS 57 17.497 15.125 0.719
291 HD3 LYS 57 2HD LYS 57 17.890 15.542 2.404
292 HE2 LYS 57 1HE LYS 57 16.927 13.404 3.154
293 HE3 LYS 57 2HE LYS 57 16.549 12.986 1.467
294 HZ1 LYS 57 3HZ LYS 57 19.254 13.432 2.558
295 HZ2 LYS 57 1HZ LYS 57 18.594 11.963 2.200
296 HZ3 LYS 57 2HZ LYS 57 18.905 13.044 0.993
297 H PHE 58 H PHE 58 14.251 19.287 -0.156
298 HA PHE 58 HA PHE 58 15.470 21.644 0.858
299 HB2 PHE 58 1HB PHE 58 15.047 21.351 -1.536
300 HB3 PHE 58 2HB PHE 58 13.291 21.330 -1.253
301 HD1 PHE 58 HD1 PHE 58 16.326 23.439 -1.124
302 HD2 PHE 58 HD2 PHE 58 12.055 23.302 -1.103
303 HE1 PHE 58 HE1 PHE 58 16.247 25.890 -1.440
304 HE2 PHE 58 HE2 PHE 58 11.973 25.752 -1.422
305 HZ PHE 58 HZ PHE 58 14.070 27.046 -1.588
306 H LEU 59 H LEU 59 12.054 20.646 0.914
307 HA LEU 59 HA LEU 59 11.241 23.136 2.225
308 HB2 LEU 59 1HB LEU 59 9.958 20.522 1.770
309 HB3 LEU 59 2HB LEU 59 9.006 21.878 2.418
310 HG LEU 59 HG LEU 59 10.322 21.737 -0.323
311 HD11 LEU 59 1HD1 LEU 59 7.958 21.759 -1.166
312 HD12 LEU 59 2HD1 LEU 59 8.261 20.347 -0.127
313 HD13 LEU 59 3HD1 LEU 59 7.375 21.751 0.515
314 HD21 LEU 59 3HD2 LEU 59 10.378 23.992 0.566
315 HD22 LEU 59 1HD2 LEU 59 9.192 23.891 -0.756
316 HD23 LEU 59 2HD2 LEU 59 8.638 23.921 0.935
317 H LEU 60 H LEU 60 10.241 23.301 4.276
318 HA LEU 60 HA LEU 60 11.885 22.016 6.311
319 HB2 LEU 60 1HB LEU 60 9.519 23.769 6.351
320 HB3 LEU 60 2HB LEU 60 10.347 23.383 7.877
321 HG LEU 60 HG LEU 60 11.498 24.924 5.519
322 HD11 LEU 60 1HD1 LEU 60 11.570 26.828 7.149
323 HD12 LEU 60 2HD1 LEU 60 9.907 26.239 6.917
324 HD13 LEU 60 3HD1 LEU 60 10.817 25.785 8.378
325 HD21 LEU 60 3HD2 LEU 60 13.195 23.537 6.553
326 HD22 LEU 60 1HD2 LEU 60 13.490 25.248 6.943
327 HD23 LEU 60 2HD2 LEU 60 12.772 24.168 8.163
328 H ASP 61 H ASP 61 8.922 21.251 4.787
329 HA ASP 61 HA ASP 61 7.843 19.675 7.009
330 HB2 ASP 61 1HB ASP 61 6.426 20.726 5.075
331 HB3 ASP 61 2HB ASP 61 7.283 19.489 4.122
332 H ARG 62 H ARG 62 9.901 18.568 7.431
333 HA ARG 62 HA ARG 62 10.390 16.284 5.579
334 HB2 ARG 62 1HB ARG 62 11.900 17.220 7.977
335 HB3 ARG 62 2HB ARG 62 12.264 15.764 7.022
336 HG2 ARG 62 1HG ARG 62 12.696 17.133 5.051
337 HG3 ARG 62 2HG ARG 62 12.257 18.603 5.954
338 HD2 ARG 62 1HD ARG 62 14.149 18.299 7.403
339 HD3 ARG 62 2HD ARG 62 14.573 16.791 6.558
340 HE ARG 62 HE ARG 62 14.687 18.952 4.629
341 HH11 ARG 62 1HH1 ARG 62 16.379 17.912 7.496
342 HH12 ARG 62 2HH1 ARG 62 17.857 18.635 6.892
343 HH21 ARG 62 1HH2 ARG 62 16.370 19.791 3.928
344 HH22 ARG 62 2HH2 ARG 62 17.853 19.708 4.858
Start of MODEL 9
1 H2 PRO 18 1H PRO 18 -0.515 -0.974 -0.182
2 H3 PRO 18 2H PRO 18 0.067 -1.229 1.176
3 HA PRO 18 HA PRO 18 2.323 -1.102 0.399
4 HB2 PRO 18 1HB PRO 18 2.124 -0.504 -2.285
5 HB3 PRO 18 2HB PRO 18 1.656 -2.100 -1.681
6 HG2 PRO 18 1HG PRO 18 -0.104 0.280 -2.345
7 HG3 PRO 18 2HG PRO 18 -0.346 -1.427 -2.740
8 HD2 PRO 18 1HD PRO 18 -1.615 -0.241 -0.606
9 HD3 PRO 18 2HD PRO 18 -1.158 -1.948 -0.578
10 H THR 19 H THR 19 3.382 0.419 1.354
11 HA THR 19 HA THR 19 3.132 3.189 0.222
12 HB THR 19 HB THR 19 3.819 2.381 3.079
13 HG1 THR 19 HG1 THR 19 1.797 3.451 3.507
14 HG21 THR 19 3HG2 THR 19 3.481 5.117 1.785
15 HG22 THR 19 1HG2 THR 19 3.770 4.813 3.515
16 HG23 THR 19 2HG2 THR 19 5.022 4.402 2.317
17 H ARG 20 H ARG 20 4.859 4.161 -0.515
18 HA ARG 20 HA ARG 20 7.520 2.904 0.070
19 HB2 ARG 20 1HB ARG 20 6.881 2.234 -2.102
20 HB3 ARG 20 2HB ARG 20 6.546 3.921 -2.562
21 HG2 ARG 20 1HG ARG 20 8.895 4.490 -2.349
22 HG3 ARG 20 2HG ARG 20 9.267 2.855 -1.751
23 HD2 ARG 20 1HD ARG 20 8.653 1.924 -3.887
24 HD3 ARG 20 2HD ARG 20 8.248 3.549 -4.487
25 HE ARG 20 HE ARG 20 11.043 3.589 -3.774
26 HH11 ARG 20 1HH1 ARG 20 9.002 1.940 -6.071
27 HH12 ARG 20 2HH1 ARG 20 10.340 1.840 -7.197
28 HH21 ARG 20 1HH2 ARG 20 12.587 3.475 -5.050
29 HH22 ARG 20 2HH2 ARG 20 12.385 2.713 -6.616
30 H THR 21 H THR 21 9.218 4.190 0.437
31 HA THR 21 HA THR 21 8.614 7.126 0.593
32 HB THR 21 HB THR 21 10.589 5.469 2.220
33 HG1 THR 21 HG1 THR 21 9.123 6.040 3.934
34 HG21 THR 21 3HG2 THR 21 9.832 8.414 2.375
35 HG22 THR 21 1HG2 THR 21 10.922 7.560 3.492
36 HG23 THR 21 2HG2 THR 21 11.382 7.769 1.785
37 H VAL 22 H VAL 22 9.517 8.326 -0.856
38 HA VAL 22 HA VAL 22 12.322 7.656 -1.732
39 HB VAL 22 HB VAL 22 10.054 8.748 -3.451
40 HG11 VAL 22 1HG1 VAL 22 11.724 8.676 -5.272
41 HG12 VAL 22 2HG1 VAL 22 12.241 9.776 -3.972
42 HG13 VAL 22 3HG1 VAL 22 12.968 8.157 -4.111
43 HG21 VAL 22 3HG2 VAL 22 9.836 6.363 -3.086
44 HG22 VAL 22 1HG2 VAL 22 10.334 6.704 -4.760
45 HG23 VAL 22 2HG2 VAL 22 11.528 6.114 -3.579
46 H ALA 23 H ALA 23 13.771 9.152 -1.628
47 HA ALA 23 HA ALA 23 12.898 11.832 -0.708
48 HB1 ALA 23 3HB ALA 23 15.667 10.599 -0.921
49 HB2 ALA 23 1HB ALA 23 15.290 12.195 -0.232
50 HB3 ALA 23 2HB ALA 23 14.682 10.720 0.557
51 H ILE 24 H ILE 24 13.032 13.647 -1.837
52 HA ILE 24 HA ILE 24 14.455 13.582 -4.479
53 HB ILE 24 HB ILE 24 12.616 14.924 -5.452
54 HG12 ILE 24 1HG1 ILE 24 11.116 14.364 -2.908
55 HG13 ILE 24 2HG1 ILE 24 11.921 15.902 -3.298
56 HG21 ILE 24 1HG2 ILE 24 10.905 13.148 -5.608
57 HG22 ILE 24 2HG2 ILE 24 12.546 12.468 -5.723
58 HG23 ILE 24 3HG2 ILE 24 11.629 12.327 -4.205
59 HD11 ILE 24 3HD1 ILE 24 9.657 14.630 -4.876
60 HD12 ILE 24 1HD1 ILE 24 9.506 16.017 -3.772
61 HD13 ILE 24 2HD1 ILE 24 10.463 16.168 -5.266
62 H SER 25 H SER 25 14.968 15.632 -5.374
63 HA SER 25 HA SER 25 16.128 17.422 -3.317
64 HB2 SER 25 1HB SER 25 16.225 17.493 -6.272
65 HB3 SER 25 2HB SER 25 17.068 18.576 -5.140
66 HG SER 25 HG SER 25 18.366 16.815 -5.819
67 H ASP 26 H ASP 26 13.612 17.544 -5.861
68 HA ASP 26 HA ASP 26 12.133 19.617 -4.458
69 HB2 ASP 26 1HB ASP 26 14.172 20.807 -5.807
70 HB3 ASP 26 2HB ASP 26 13.063 20.349 -7.123
71 H ALA 27 H ALA 27 10.181 20.250 -5.544
72 HA ALA 27 HA ALA 27 8.882 18.069 -6.858
73 HB1 ALA 27 3HB ALA 27 8.116 21.007 -6.754
74 HB2 ALA 27 1HB ALA 27 7.048 19.672 -7.241
75 HB3 ALA 27 2HB ALA 27 7.655 19.760 -5.571
76 H ALA 28 H ALA 28 10.582 20.906 -8.076
77 HA ALA 28 HA ALA 28 9.877 20.551 -10.833
78 HB1 ALA 28 3HB ALA 28 12.389 21.732 -9.597
79 HB2 ALA 28 1HB ALA 28 11.881 21.911 -11.292
80 HB3 ALA 28 2HB ALA 28 10.895 22.618 -9.989
81 H GLN 29 H GLN 29 12.028 18.847 -8.715
82 HA GLN 29 HA GLN 29 13.375 17.522 -11.018
83 HB2 GLN 29 1HB GLN 29 13.801 17.189 -8.042
84 HB3 GLN 29 2HB GLN 29 14.810 16.522 -9.348
85 HG2 GLN 29 1HG GLN 29 14.719 19.569 -8.584
86 HG3 GLN 29 2HG GLN 29 15.836 18.198 -8.391
87 HE21 GLN 29 2HE2 GLN 29 15.082 20.874 -10.236
88 HE22 GLN 29 1HE2 GLN 29 15.923 20.457 -11.693
89 H LEU 30 H LEU 30 10.516 17.182 -9.593
90 HA LEU 30 HA LEU 30 10.640 14.190 -9.572
91 HB2 LEU 30 1HB LEU 30 9.898 15.134 -7.623
92 HB3 LEU 30 2HB LEU 30 8.621 16.143 -8.343
93 HG LEU 30 HG LEU 30 7.499 14.026 -9.116
94 HD11 LEU 30 1HD1 LEU 30 8.173 11.896 -7.973
95 HD12 LEU 30 2HD1 LEU 30 9.493 12.536 -8.980
96 HD13 LEU 30 3HD1 LEU 30 9.535 12.754 -7.214
97 HD21 LEU 30 3HD2 LEU 30 6.715 15.219 -7.156
98 HD22 LEU 30 1HD2 LEU 30 6.553 13.465 -6.903
99 HD23 LEU 30 2HD2 LEU 30 7.884 14.358 -6.127
100 HA PRO 31 HA PRO 31 8.873 14.577 -13.635
101 HB2 PRO 31 1HB PRO 31 8.837 11.558 -13.284
102 HB3 PRO 31 2HB PRO 31 9.499 12.505 -14.623
103 HG2 PRO 31 1HG PRO 31 11.163 11.377 -12.870
104 HG3 PRO 31 2HG PRO 31 11.499 13.011 -13.459
105 HD2 PRO 31 1HD PRO 31 10.307 12.160 -10.786
106 HD3 PRO 31 2HD PRO 31 11.493 13.429 -11.116
107 H HIS 32 H HIS 32 6.892 14.699 -14.353
108 HA HIS 32 HA HIS 32 4.636 13.933 -12.701
109 HB2 HIS 32 1HB HIS 32 4.936 14.889 -15.569
110 HB3 HIS 32 2HB HIS 32 3.364 14.374 -14.915
111 HD1 HIS 32 HD1 HIS 32 2.702 15.708 -12.578
112 HD2 HIS 32 HD2 HIS 32 5.457 17.618 -15.133
113 HE1 HIS 32 HE1 HIS 32 2.614 18.083 -12.010
114 H ASP 33 H ASP 33 3.456 10.863 -13.858
115 HA ASP 33 HA ASP 33 2.774 13.686 -13.213
116 HB2 ASP 33 1HB ASP 33 1.028 11.155 -13.050
117 HB3 ASP 33 2HB ASP 33 0.662 12.859 -12.684
118 H TYR 34 H TYR 34 2.388 14.486 -11.234
119 HA TYR 34 HA TYR 34 2.295 12.662 -8.912
120 HB2 TYR 34 1HB TYR 34 4.043 13.693 -7.701
121 HB3 TYR 34 2HB TYR 34 4.705 13.173 -9.269
122 HD1 TYR 34 HD1 TYR 34 3.775 16.076 -7.195
123 HD2 TYR 34 HD2 TYR 34 5.427 14.810 -10.917
124 HE1 TYR 34 HE1 TYR 34 4.589 18.379 -7.608
125 HE2 TYR 34 HE2 TYR 34 6.246 17.103 -11.346
126 HH TYR 34 HH TYR 34 6.386 19.239 -10.567
127 H CYS 35 H CYS 35 1.778 13.795 -6.900
128 HA CYS 35 HA CYS 35 0.188 16.334 -7.394
129 HB2 CYS 35 1HB CYS 35 -0.461 13.810 -5.807
130 HB3 CYS 35 2HB CYS 35 -1.496 15.251 -5.951
131 HG CYS 35 HG CYS 35 -2.502 13.302 -7.230
132 H THR 36 H THR 36 -0.393 17.352 -5.263
133 HA THR 36 HA THR 36 1.738 17.018 -3.202
134 HB THR 36 HB THR 36 2.469 18.818 -4.808
135 HG1 THR 36 HG1 THR 36 3.026 18.876 -2.558
136 HG21 THR 36 3HG2 THR 36 -0.027 20.214 -3.763
137 HG22 THR 36 1HG2 THR 36 1.233 20.957 -4.775
138 HG23 THR 36 2HG2 THR 36 0.225 19.644 -5.429
139 H TPO 37 H TPO 37 1.235 17.666 -1.156
140 HA TPO 37 HA TPO 37 -1.650 18.298 -0.694
141 HB TPO 37 HB TPO 37 -1.345 17.572 1.559
142 HG21 TPO 37 1HG2 TPO 37 -0.434 15.288 1.313
143 HG22 TPO 37 2HG2 TPO 37 -1.452 15.726 -0.081
144 HG23 TPO 37 3HG2 TPO 37 0.322 15.755 -0.229
145 HA PRO 38 HA PRO 38 -1.211 22.424 0.484
146 HB2 PRO 38 1HB PRO 38 -2.235 21.680 3.261
147 HB3 PRO 38 2HB PRO 38 -2.841 22.922 2.158
148 HG2 PRO 38 1HG PRO 38 -4.204 20.651 2.429
149 HG3 PRO 38 2HG PRO 38 -4.014 21.356 0.817
150 HD2 PRO 38 1HD PRO 38 -2.556 18.983 2.039
151 HD3 PRO 38 2HD PRO 38 -3.117 19.205 0.378
152 H GLY 39 H GLY 39 0.039 20.045 2.763
153 HA2 GLY 39 1HA GLY 39 1.756 21.871 4.169
154 HA3 GLY 39 2HA GLY 39 1.930 20.102 4.096
155 H GLY 40 H GLY 40 2.013 20.126 1.131
156 HA2 GLY 40 1HA GLY 40 3.426 21.241 -0.563
157 HA3 GLY 40 2HA GLY 40 4.654 21.469 0.704
158 H THR 41 H THR 41 3.539 18.578 1.502
159 HA THR 41 HA THR 41 5.812 17.162 0.407
160 HB THR 41 HB THR 41 3.308 16.046 1.738
161 HG1 THR 41 HG1 THR 41 4.184 17.140 3.357
162 HG21 THR 41 3HG2 THR 41 6.092 14.878 1.353
163 HG22 THR 41 1HG2 THR 41 4.760 14.116 2.253
164 HG23 THR 41 2HG2 THR 41 4.621 14.361 0.496
165 H LEU 42 H LEU 42 6.072 15.882 -1.269
166 HA LEU 42 HA LEU 42 3.870 15.841 -3.258
167 HB2 LEU 42 1HB LEU 42 6.732 15.195 -3.206
168 HB3 LEU 42 2HB LEU 42 5.824 14.762 -4.672
169 HG LEU 42 HG LEU 42 6.715 16.803 -5.310
170 HD11 LEU 42 1HD1 LEU 42 4.945 18.563 -5.067
171 HD12 LEU 42 2HD1 LEU 42 4.230 16.973 -5.415
172 HD13 LEU 42 3HD1 LEU 42 4.204 17.615 -3.756
173 HD21 LEU 42 3HD2 LEU 42 7.894 17.229 -3.235
174 HD22 LEU 42 1HD2 LEU 42 7.082 18.714 -3.788
175 HD23 LEU 42 2HD2 LEU 42 6.386 17.762 -2.453
176 H PHE 43 H PHE 43 3.088 14.018 -4.266
177 HA PHE 43 HA PHE 43 4.009 11.362 -3.427
178 HB2 PHE 43 1HB PHE 43 1.882 10.610 -2.505
179 HB3 PHE 43 2HB PHE 43 2.429 12.023 -1.576
180 HD1 PHE 43 HD2 PHE 43 1.345 14.199 -1.881
181 HD2 PHE 43 HD1 PHE 43 -0.114 10.648 -3.755
182 HE1 PHE 43 HE2 PHE 43 -0.830 15.305 -2.279
183 HE2 PHE 43 HE1 PHE 43 -2.290 11.752 -4.157
184 HZ PHE 43 HZ PHE 43 -2.647 14.081 -3.419
185 H SER 44 H SER 44 3.201 9.666 -4.670
186 HA SER 44 HA SER 44 1.297 10.280 -6.902
187 HB2 SER 44 1HB SER 44 3.345 11.075 -7.755
188 HB3 SER 44 2HB SER 44 4.085 9.481 -7.482
189 HG SER 44 HG SER 44 2.763 10.245 -9.582
190 H THR 45 H THR 45 0.290 8.467 -7.652
191 HA THR 45 HA THR 45 1.081 5.869 -6.370
192 HB THR 45 HB THR 45 -1.692 6.799 -7.231
193 HG1 THR 45 HG1 THR 45 -0.920 7.775 -5.277
194 HG21 THR 45 3HG2 THR 45 -0.760 4.273 -5.809
195 HG22 THR 45 1HG2 THR 45 -2.451 4.716 -6.140
196 HG23 THR 45 2HG2 THR 45 -1.342 4.366 -7.488
197 H TPO 46 H TPO 46 1.567 4.216 -7.581
198 HA TPO 46 HA TPO 46 1.508 4.620 -10.520
199 HB TPO 46 HB TPO 46 3.039 2.781 -10.658
200 HG21 TPO 46 1HG2 TPO 46 4.857 3.465 -9.133
201 HG22 TPO 46 2HG2 TPO 46 4.032 4.884 -9.824
202 HG23 TPO 46 3HG2 TPO 46 3.690 4.381 -8.152
203 HA PRO 47 HA PRO 47 -1.769 2.086 -11.654
204 HB2 PRO 47 1HB PRO 47 0.176 0.349 -13.237
205 HB3 PRO 47 2HB PRO 47 -1.297 1.152 -13.801
206 HG2 PRO 47 1HG PRO 47 1.075 2.178 -14.449
207 HG3 PRO 47 2HG PRO 47 -0.238 3.267 -13.981
208 HD2 PRO 47 1HD PRO 47 2.167 2.376 -12.347
209 HD3 PRO 47 2HD PRO 47 1.389 3.962 -12.402
210 H GLY 48 H GLY 48 1.100 0.442 -10.477
211 HA2 GLY 48 1HA GLY 48 -0.134 -2.099 -10.015
212 HA3 GLY 48 2HA GLY 48 1.317 -1.473 -9.199
213 H GLY 49 H GLY 49 -0.205 0.945 -8.293
214 HA2 GLY 49 1HA GLY 49 -2.191 1.314 -6.886
215 HA3 GLY 49 2HA GLY 49 -1.993 -0.343 -6.269
216 H THR 50 H THR 50 1.071 0.534 -6.494
217 HA THR 50 HA THR 50 1.387 1.009 -3.660
218 HB THR 50 HB THR 50 3.393 1.382 -5.923
219 HG1 THR 50 HG1 THR 50 3.051 -0.741 -5.955
220 HG21 THR 50 3HG2 THR 50 3.776 1.023 -2.925
221 HG22 THR 50 1HG2 THR 50 5.076 1.116 -4.136
222 HG23 THR 50 2HG2 THR 50 4.038 2.530 -3.833
223 H ARG 51 H ARG 51 1.442 2.759 -2.493
224 HA ARG 51 HA ARG 51 1.255 5.383 -3.900
225 HB2 ARG 51 1HB ARG 51 0.695 4.680 -1.054
226 HB3 ARG 51 2HB ARG 51 0.572 6.295 -1.790
227 HG2 ARG 51 1HG ARG 51 -1.211 5.538 -3.252
228 HG3 ARG 51 2HG ARG 51 -1.041 3.873 -2.645
229 HD2 ARG 51 1HD ARG 51 -1.743 4.616 -0.446
230 HD3 ARG 51 2HD ARG 51 -1.943 6.267 -1.077
231 HE ARG 51 HE ARG 51 -3.704 4.513 -2.576
232 HH11 ARG 51 1HH1 ARG 51 -3.374 5.759 0.664
233 HH12 ARG 51 2HH1 ARG 51 -5.110 5.673 0.881
234 HH21 ARG 51 1HH2 ARG 51 -5.694 4.400 -2.339
235 HH22 ARG 51 2HH2 ARG 51 -6.435 4.896 -0.830
236 H ILE 52 H ILE 52 3.024 6.444 -4.264
237 HA ILE 52 HA ILE 52 5.361 6.026 -2.433
238 HB ILE 52 HB ILE 52 5.220 7.267 -5.221
239 HG12 ILE 52 1HG1 ILE 52 6.342 4.604 -4.396
240 HG13 ILE 52 2HG1 ILE 52 4.737 4.848 -5.123
241 HG21 ILE 52 1HG2 ILE 52 7.686 7.142 -5.126
242 HG22 ILE 52 2HG2 ILE 52 7.047 8.169 -3.822
243 HG23 ILE 52 3HG2 ILE 52 7.592 6.514 -3.464
244 HD11 ILE 52 3HD1 ILE 52 7.400 5.541 -6.415
245 HD12 ILE 52 1HD1 ILE 52 6.381 4.139 -6.816
246 HD13 ILE 52 2HD1 ILE 52 5.794 5.787 -7.142
247 H ILE 53 H ILE 53 5.654 7.350 -0.883
248 HA ILE 53 HA ILE 53 4.794 10.197 -1.207
249 HB ILE 53 HB ILE 53 5.827 8.662 1.222
250 HG12 ILE 53 1HG1 ILE 53 3.058 9.687 0.663
251 HG13 ILE 53 2HG1 ILE 53 3.593 8.015 0.374
252 HG21 ILE 53 1HG2 ILE 53 5.154 10.674 2.490
253 HG22 ILE 53 2HG2 ILE 53 6.407 11.064 1.290
254 HG23 ILE 53 3HG2 ILE 53 4.708 11.484 0.970
255 HD11 ILE 53 3HD1 ILE 53 3.570 9.436 3.060
256 HD12 ILE 53 1HD1 ILE 53 2.400 8.210 2.522
257 HD13 ILE 53 2HD1 ILE 53 4.105 7.764 2.772
258 H TYR 54 H TYR 54 6.052 11.835 -1.495
259 HA TYR 54 HA TYR 54 8.960 11.179 -1.823
260 HB2 TYR 54 1HB TYR 54 7.215 13.278 -3.127
261 HB3 TYR 54 2HB TYR 54 8.975 13.123 -3.353
262 HD1 TYR 54 HD2 TYR 54 9.872 10.999 -4.412
263 HD2 TYR 54 HD1 TYR 54 5.718 11.964 -4.412
264 HE1 TYR 54 HE2 TYR 54 9.506 9.380 -6.243
265 HE2 TYR 54 HE1 TYR 54 5.334 10.346 -6.248
266 HH TYR 54 HH TYR 54 7.992 8.425 -7.651
267 H ASP 55 H ASP 55 10.160 11.796 -0.216
268 HA ASP 55 HA ASP 55 9.431 14.157 1.402
269 HB2 ASP 55 1HB ASP 55 10.458 12.022 2.441
270 HB3 ASP 55 2HB ASP 55 11.840 12.450 1.402
271 H ARG 56 H ARG 56 9.815 16.103 0.721
272 HA ARG 56 HA ARG 56 11.850 16.589 -1.344
273 HB2 ARG 56 1HB ARG 56 9.525 17.644 -1.109
274 HB3 ARG 56 2HB ARG 56 10.355 18.749 0.010
275 HG2 ARG 56 1HG ARG 56 11.917 19.397 -1.748
276 HG3 ARG 56 2HG ARG 56 11.159 18.243 -2.871
277 HD2 ARG 56 1HD ARG 56 10.345 20.318 -3.472
278 HD3 ARG 56 2HD ARG 56 9.037 19.555 -2.537
279 HE ARG 56 HE ARG 56 10.530 21.359 -0.794
280 HH11 ARG 56 1HH1 ARG 56 8.294 21.458 -3.467
281 HH12 ARG 56 2HH1 ARG 56 7.677 22.998 -2.902
282 HH21 ARG 56 1HH2 ARG 56 9.841 23.126 -0.138
283 HH22 ARG 56 2HH2 ARG 56 8.560 23.951 -1.005
284 H LYS 57 H LYS 57 13.844 17.201 -1.097
285 HA LYS 57 HA LYS 57 15.198 17.492 1.348
286 HB2 LYS 57 1HB LYS 57 16.305 17.248 -0.805
287 HB3 LYS 57 2HB LYS 57 15.737 18.863 -1.291
288 HG2 LYS 57 1HG LYS 57 17.089 19.892 0.469
289 HG3 LYS 57 2HG LYS 57 17.622 18.286 1.020
290 HD2 LYS 57 1HD LYS 57 18.711 17.886 -1.138
291 HD3 LYS 57 2HD LYS 57 18.142 19.465 -1.730
292 HE2 LYS 57 1HE LYS 57 19.444 20.598 0.010
293 HE3 LYS 57 2HE LYS 57 19.996 19.027 0.631
294 HZ1 LYS 57 3HZ LYS 57 20.569 20.106 -2.054
295 HZ2 LYS 57 1HZ LYS 57 21.636 20.044 -0.798
296 HZ3 LYS 57 2HZ LYS 57 21.081 18.648 -1.479
297 H PHE 58 H PHE 58 13.446 19.945 -0.508
298 HA PHE 58 HA PHE 58 14.026 21.899 1.693
299 HB2 PHE 58 1HB PHE 58 13.156 22.419 -1.184
300 HB3 PHE 58 2HB PHE 58 13.514 23.653 0.045
301 HD1 PHE 58 HD2 PHE 58 15.885 23.595 1.066
302 HD2 PHE 58 HD1 PHE 58 14.794 21.728 -2.619
303 HE1 PHE 58 HE2 PHE 58 18.252 23.624 0.354
304 HE2 PHE 58 HE1 PHE 58 17.162 21.752 -3.333
305 HZ PHE 58 HZ PHE 58 18.890 22.700 -1.846
306 H LEU 59 H LEU 59 12.061 19.833 1.950
307 HA LEU 59 HA LEU 59 9.424 20.747 1.369
308 HB2 LEU 59 1HB LEU 59 10.013 18.580 1.991
309 HB3 LEU 59 2HB LEU 59 10.424 18.984 3.674
310 HG LEU 59 HG LEU 59 8.043 19.778 3.964
311 HD11 LEU 59 1HD1 LEU 59 6.363 18.918 2.310
312 HD12 LEU 59 2HD1 LEU 59 7.503 20.049 1.545
313 HD13 LEU 59 3HD1 LEU 59 7.694 18.296 1.306
314 HD21 LEU 59 3HD2 LEU 59 8.781 17.637 4.831
315 HD22 LEU 59 1HD2 LEU 59 7.112 17.505 4.227
316 HD23 LEU 59 2HD2 LEU 59 8.462 16.859 3.262
317 H LEU 60 H LEU 60 8.253 22.343 2.045
318 HA LEU 60 HA LEU 60 9.196 24.133 4.129
319 HB2 LEU 60 1HB LEU 60 8.046 24.864 2.269
320 HB3 LEU 60 2HB LEU 60 6.536 23.987 2.608
321 HG LEU 60 HG LEU 60 6.393 25.315 4.769
322 HD11 LEU 60 1HD1 LEU 60 7.673 27.473 4.820
323 HD12 LEU 60 2HD1 LEU 60 8.768 26.072 4.824
324 HD13 LEU 60 3HD1 LEU 60 8.509 26.994 3.324
325 HD21 LEU 60 3HD2 LEU 60 4.985 25.811 2.857
326 HD22 LEU 60 1HD2 LEU 60 5.464 27.323 3.666
327 HD23 LEU 60 2HD2 LEU 60 6.258 26.833 2.148
328 H ASP 61 H ASP 61 9.048 23.935 6.203
329 HA ASP 61 HA ASP 61 7.224 21.939 7.382
330 HB2 ASP 61 1HB ASP 61 9.655 22.388 8.233
331 HB3 ASP 61 2HB ASP 61 8.937 23.956 8.681
332 H ARG 62 H ARG 62 5.245 22.897 6.682
333 HA ARG 62 HA ARG 62 4.428 25.497 7.681
334 HB2 ARG 62 1HB ARG 62 2.846 23.210 6.606
335 HB3 ARG 62 2HB ARG 62 2.170 24.777 7.105
336 HG2 ARG 62 1HG ARG 62 3.791 25.830 5.432
337 HG3 ARG 62 2HG ARG 62 4.046 24.181 4.809
338 HD2 ARG 62 1HD ARG 62 2.460 25.386 3.476
339 HD3 ARG 62 2HD ARG 62 1.690 24.011 4.301
340 HE ARG 62 HE ARG 62 1.175 26.546 5.724
341 HH11 ARG 62 1HH1 ARG 62 0.132 24.605 3.022
342 HH12 ARG 62 2HH1 ARG 62 -1.471 25.306 3.130
343 HH21 ARG 62 1HH2 ARG 62 -0.652 27.364 5.856
344 HH22 ARG 62 2HH2 ARG 62 -1.919 26.880 4.745
Start of MODEL 10
1 H2 PRO 18 1H PRO 18 -0.154 -0.590 -1.204
2 H3 PRO 18 2H PRO 18 -0.778 -0.174 0.096
3 HA PRO 18 HA PRO 18 1.313 -0.107 1.250
4 HB2 PRO 18 1HB PRO 18 3.212 -0.746 -0.623
5 HB3 PRO 18 2HB PRO 18 2.059 -1.972 -0.080
6 HG2 PRO 18 1HG PRO 18 1.988 -0.270 -2.595
7 HG3 PRO 18 2HG PRO 18 1.694 -2.005 -2.419
8 HD2 PRO 18 1HD PRO 18 -0.371 -0.190 -2.564
9 HD3 PRO 18 2HD PRO 18 -0.514 -1.685 -1.629
10 H THR 19 H THR 19 3.168 1.088 1.626
11 HA THR 19 HA THR 19 3.168 3.690 0.129
12 HB THR 19 HB THR 19 3.811 3.179 3.065
13 HG1 THR 19 HG1 THR 19 1.892 4.461 3.355
14 HG21 THR 19 3HG2 THR 19 3.700 5.757 1.450
15 HG22 THR 19 1HG2 THR 19 3.975 5.640 3.203
16 HG23 THR 19 2HG2 THR 19 5.177 4.981 2.068
17 H ARG 20 H ARG 20 4.936 4.338 -0.807
18 HA ARG 20 HA ARG 20 7.494 2.947 -0.073
19 HB2 ARG 20 1HB ARG 20 6.779 2.271 -2.228
20 HB3 ARG 20 2HB ARG 20 6.632 3.967 -2.743
21 HG2 ARG 20 1HG ARG 20 9.046 4.273 -2.474
22 HG3 ARG 20 2HG ARG 20 9.207 2.591 -1.912
23 HD2 ARG 20 1HD ARG 20 8.501 1.790 -4.068
24 HD3 ARG 20 2HD ARG 20 8.286 3.463 -4.634
25 HE ARG 20 HE ARG 20 11.069 3.138 -3.914
26 HH11 ARG 20 1HH1 ARG 20 8.836 1.897 -6.287
27 HH12 ARG 20 2HH1 ARG 20 10.152 1.694 -7.427
28 HH21 ARG 20 1HH2 ARG 20 12.588 2.903 -5.204
29 HH22 ARG 20 2HH2 ARG 20 12.293 2.267 -6.810
30 H THR 21 H THR 21 9.121 4.089 0.619
31 HA THR 21 HA THR 21 8.810 7.052 0.668
32 HB THR 21 HB THR 21 10.771 5.231 2.127
33 HG1 THR 21 HG1 THR 21 9.440 5.827 3.940
34 HG21 THR 21 3HG2 THR 21 10.201 8.208 2.414
35 HG22 THR 21 1HG2 THR 21 11.298 7.255 3.441
36 HG23 THR 21 2HG2 THR 21 11.674 7.495 1.717
37 H VAL 22 H VAL 22 9.654 8.202 -0.861
38 HA VAL 22 HA VAL 22 12.386 7.438 -1.878
39 HB VAL 22 HB VAL 22 10.067 8.621 -3.463
40 HG11 VAL 22 1HG1 VAL 22 11.637 8.533 -5.371
41 HG12 VAL 22 2HG1 VAL 22 12.249 9.601 -4.087
42 HG13 VAL 22 3HG1 VAL 22 12.927 7.968 -4.285
43 HG21 VAL 22 3HG2 VAL 22 9.810 6.237 -3.117
44 HG22 VAL 22 1HG2 VAL 22 10.226 6.589 -4.810
45 HG23 VAL 22 2HG2 VAL 22 11.466 5.954 -3.703
46 H ALA 23 H ALA 23 13.898 8.851 -1.733
47 HA ALA 23 HA ALA 23 13.165 11.557 -0.774
48 HB1 ALA 23 3HB ALA 23 15.867 10.192 -1.025
49 HB2 ALA 23 1HB ALA 23 15.574 11.793 -0.308
50 HB3 ALA 23 2HB ALA 23 14.899 10.336 0.462
51 H ILE 24 H ILE 24 13.344 13.370 -1.891
52 HA ILE 24 HA ILE 24 14.883 13.345 -4.459
53 HB ILE 24 HB ILE 24 13.074 14.651 -5.542
54 HG12 ILE 24 1HG1 ILE 24 11.420 13.989 -3.121
55 HG13 ILE 24 2HG1 ILE 24 12.191 15.562 -3.429
56 HG21 ILE 24 1HG2 ILE 24 11.446 12.816 -5.849
57 HG22 ILE 24 2HG2 ILE 24 13.114 12.199 -5.858
58 HG23 ILE 24 3HG2 ILE 24 12.098 11.996 -4.411
59 HD11 ILE 24 3HD1 ILE 24 10.093 14.236 -5.182
60 HD12 ILE 24 1HD1 ILE 24 9.812 15.596 -4.071
61 HD13 ILE 24 2HD1 ILE 24 10.864 15.808 -5.491
62 H SER 25 H SER 25 15.079 15.566 -5.376
63 HA SER 25 HA SER 25 16.315 17.297 -3.335
64 HB2 SER 25 1HB SER 25 15.969 17.597 -6.256
65 HB3 SER 25 2HB SER 25 16.816 18.721 -5.169
66 HG SER 25 HG SER 25 18.221 17.197 -6.142
67 H ASP 26 H ASP 26 13.617 17.630 -5.690
68 HA ASP 26 HA ASP 26 12.065 19.328 -3.904
69 HB2 ASP 26 1HB ASP 26 14.046 20.828 -5.021
70 HB3 ASP 26 2HB ASP 26 12.924 20.593 -6.384
71 H ALA 27 H ALA 27 10.100 20.137 -4.894
72 HA ALA 27 HA ALA 27 8.853 18.127 -6.513
73 HB1 ALA 27 3HB ALA 27 7.972 20.973 -5.918
74 HB2 ALA 27 1HB ALA 27 6.949 19.689 -6.600
75 HB3 ALA 27 2HB ALA 27 7.590 19.531 -4.947
76 H ALA 28 H ALA 28 10.423 21.185 -7.280
77 HA ALA 28 HA ALA 28 9.681 21.269 -10.044
78 HB1 ALA 28 3HB ALA 28 12.201 22.271 -8.674
79 HB2 ALA 28 1HB ALA 28 11.656 22.720 -10.306
80 HB3 ALA 28 2HB ALA 28 10.688 23.184 -8.888
81 H GLN 29 H GLN 29 11.909 19.284 -8.274
82 HA GLN 29 HA GLN 29 13.132 18.319 -10.823
83 HB2 GLN 29 1HB GLN 29 13.854 17.645 -7.966
84 HB3 GLN 29 2HB GLN 29 14.770 17.239 -9.436
85 HG2 GLN 29 1HG GLN 29 14.566 20.148 -8.260
86 HG3 GLN 29 2HG GLN 29 15.770 18.838 -8.299
87 HE21 GLN 29 2HE2 GLN 29 14.815 21.678 -9.726
88 HE22 GLN 29 1HE2 GLN 29 15.564 21.490 -11.277
89 H LEU 30 H LEU 30 10.376 17.740 -9.487
90 HA LEU 30 HA LEU 30 10.639 14.758 -9.467
91 HB2 LEU 30 1HB LEU 30 9.810 15.684 -7.535
92 HB3 LEU 30 2HB LEU 30 8.489 16.603 -8.295
93 HG LEU 30 HG LEU 30 7.520 14.412 -9.068
94 HD11 LEU 30 1HD1 LEU 30 8.296 12.343 -7.880
95 HD12 LEU 30 2HD1 LEU 30 9.599 13.051 -8.863
96 HD13 LEU 30 3HD1 LEU 30 9.583 13.293 -7.099
97 HD21 LEU 30 3HD2 LEU 30 6.614 15.578 -7.145
98 HD22 LEU 30 1HD2 LEU 30 6.556 13.820 -6.872
99 HD23 LEU 30 2HD2 LEU 30 7.809 14.805 -6.076
100 HA PRO 31 HA PRO 31 8.922 15.059 -13.560
101 HB2 PRO 31 1HB PRO 31 9.059 12.044 -13.233
102 HB3 PRO 31 2HB PRO 31 9.703 13.042 -14.543
103 HG2 PRO 31 1HG PRO 31 11.380 11.989 -12.756
104 HG3 PRO 31 2HG PRO 31 11.639 13.645 -13.321
105 HD2 PRO 31 1HD PRO 31 10.413 12.704 -10.691
106 HD3 PRO 31 2HD PRO 31 11.550 14.029 -10.971
107 H HIS 32 H HIS 32 6.958 14.986 -14.363
108 HA HIS 32 HA HIS 32 4.732 14.137 -12.696
109 HB2 HIS 32 1HB HIS 32 5.003 15.119 -15.555
110 HB3 HIS 32 2HB HIS 32 3.457 14.494 -14.934
111 HD1 HIS 32 HD1 HIS 32 2.611 15.770 -12.652
112 HD2 HIS 32 HD2 HIS 32 5.389 17.861 -15.034
113 HE1 HIS 32 HE1 HIS 32 2.369 18.128 -12.058
114 H ASP 33 H ASP 33 3.718 11.007 -13.853
115 HA ASP 33 HA ASP 33 2.882 13.791 -13.225
116 HB2 ASP 33 1HB ASP 33 1.275 11.171 -13.037
117 HB3 ASP 33 2HB ASP 33 0.817 12.860 -12.702
118 H TYR 34 H TYR 34 2.284 14.524 -11.235
119 HA TYR 34 HA TYR 34 2.401 12.729 -8.908
120 HB2 TYR 34 1HB TYR 34 4.081 13.900 -7.715
121 HB3 TYR 34 2HB TYR 34 4.765 13.390 -9.277
122 HD1 TYR 34 HD1 TYR 34 3.595 16.284 -7.296
123 HD2 TYR 34 HD2 TYR 34 5.446 15.023 -10.923
124 HE1 TYR 34 HE1 TYR 34 4.260 18.624 -7.759
125 HE2 TYR 34 HE2 TYR 34 6.119 17.353 -11.403
126 HH TYR 34 HH TYR 34 6.087 19.516 -10.691
127 H CYS 35 H CYS 35 1.804 13.816 -6.902
128 HA CYS 35 HA CYS 35 0.200 16.352 -7.334
129 HB2 CYS 35 1HB CYS 35 -0.537 13.733 -5.951
130 HB3 CYS 35 2HB CYS 35 -1.546 15.199 -6.005
131 HG CYS 35 HG CYS 35 -2.543 13.377 -7.466
132 H THR 36 H THR 36 -0.496 17.208 -5.147
133 HA THR 36 HA THR 36 1.340 16.560 -2.911
134 HB THR 36 HB THR 36 2.516 18.346 -4.230
135 HG1 THR 36 HG1 THR 36 2.750 19.724 -2.370
136 HG21 THR 36 3HG2 THR 36 0.057 19.983 -3.493
137 HG22 THR 36 1HG2 THR 36 1.544 20.615 -4.240
138 HG23 THR 36 2HG2 THR 36 0.513 19.473 -5.136
139 H TPO 37 H TPO 37 0.648 17.182 -0.903
140 HA TPO 37 HA TPO 37 -2.251 17.834 -0.765
141 HB TPO 37 HB TPO 37 -2.170 17.119 1.514
142 HG21 TPO 37 1HG2 TPO 37 -1.183 14.860 1.370
143 HG22 TPO 37 2HG2 TPO 37 -2.058 15.273 -0.124
144 HG23 TPO 37 3HG2 TPO 37 -0.281 15.346 -0.084
145 HA PRO 38 HA PRO 38 -2.083 21.970 0.396
146 HB2 PRO 38 1HB PRO 38 -3.418 21.223 3.036
147 HB3 PRO 38 2HB PRO 38 -3.921 22.436 1.850
148 HG2 PRO 38 1HG PRO 38 -5.236 20.124 1.981
149 HG3 PRO 38 2HG PRO 38 -4.871 20.821 0.397
150 HD2 PRO 38 1HD PRO 38 -3.505 18.504 1.817
151 HD3 PRO 38 2HD PRO 38 -3.856 18.700 0.095
152 H GLY 39 H GLY 39 -1.037 19.663 2.841
153 HA2 GLY 39 1HA GLY 39 0.385 21.540 4.468
154 HA3 GLY 39 2HA GLY 39 0.688 19.790 4.376
155 H GLY 40 H GLY 40 1.201 19.796 1.506
156 HA2 GLY 40 1HA GLY 40 2.746 20.968 -0.019
157 HA3 GLY 40 2HA GLY 40 3.739 21.381 1.399
158 H THR 41 H THR 41 2.369 18.253 1.517
159 HA THR 41 HA THR 41 5.023 17.024 1.055
160 HB THR 41 HB THR 41 2.367 15.824 1.948
161 HG1 THR 41 HG1 THR 41 3.093 16.887 3.683
162 HG21 THR 41 3HG2 THR 41 5.159 14.616 1.832
163 HG22 THR 41 1HG2 THR 41 3.716 13.836 2.521
164 HG23 THR 41 2HG2 THR 41 3.794 14.181 0.776
165 H LEU 42 H LEU 42 5.679 16.073 -0.694
166 HA LEU 42 HA LEU 42 3.813 15.900 -2.980
167 HB2 LEU 42 1HB LEU 42 6.666 15.758 -2.459
168 HB3 LEU 42 2HB LEU 42 6.177 15.008 -3.996
169 HG LEU 42 HG LEU 42 6.956 17.330 -4.326
170 HD11 LEU 42 1HD1 LEU 42 4.928 18.198 -5.520
171 HD12 LEU 42 2HD1 LEU 42 5.144 16.453 -5.798
172 HD13 LEU 42 3HD1 LEU 42 3.924 17.027 -4.635
173 HD21 LEU 42 3HD2 LEU 42 6.443 18.204 -2.123
174 HD22 LEU 42 1HD2 LEU 42 5.682 19.220 -3.372
175 HD23 LEU 42 2HD2 LEU 42 4.697 18.063 -2.443
176 H PHE 43 H PHE 43 3.171 14.126 -4.040
177 HA PHE 43 HA PHE 43 4.257 11.484 -3.340
178 HB2 PHE 43 1HB PHE 43 2.156 10.530 -2.574
179 HB3 PHE 43 2HB PHE 43 2.535 11.927 -1.542
180 HD1 PHE 43 HD2 PHE 43 1.290 14.018 -1.781
181 HD2 PHE 43 HD1 PHE 43 0.241 10.492 -3.955
182 HE1 PHE 43 HE2 PHE 43 -0.941 14.973 -2.249
183 HE2 PHE 43 HE1 PHE 43 -1.990 11.445 -4.426
184 HZ PHE 43 HZ PHE 43 -2.582 13.685 -3.574
185 H SER 44 H SER 44 3.350 9.755 -4.632
186 HA SER 44 HA SER 44 1.582 10.503 -6.923
187 HB2 SER 44 1HB SER 44 3.659 11.244 -7.715
188 HB3 SER 44 2HB SER 44 4.367 9.639 -7.420
189 HG SER 44 HG SER 44 3.138 10.426 -9.566
190 H THR 45 H THR 45 0.389 8.795 -7.540
191 HA THR 45 HA THR 45 1.101 6.122 -6.378
192 HB THR 45 HB THR 45 -1.622 7.214 -7.202
193 HG1 THR 45 HG1 THR 45 -0.793 8.077 -5.219
194 HG21 THR 45 3HG2 THR 45 -0.824 4.592 -5.876
195 HG22 THR 45 1HG2 THR 45 -2.490 5.139 -6.183
196 HG23 THR 45 2HG2 THR 45 -1.405 4.778 -7.547
197 H TPO 46 H TPO 46 1.573 4.506 -7.632
198 HA TPO 46 HA TPO 46 1.465 4.942 -10.561
199 HB TPO 46 HB TPO 46 2.907 3.024 -10.743
200 HG21 TPO 46 1HG2 TPO 46 4.795 3.651 -9.279
201 HG22 TPO 46 2HG2 TPO 46 4.006 5.094 -9.959
202 HG23 TPO 46 3HG2 TPO 46 3.694 4.621 -8.273
203 HA PRO 47 HA PRO 47 -1.924 2.530 -11.666
204 HB2 PRO 47 1HB PRO 47 -0.065 0.763 -13.314
205 HB3 PRO 47 2HB PRO 47 -1.522 1.621 -13.836
206 HG2 PRO 47 1HG PRO 47 0.868 2.583 -14.516
207 HG3 PRO 47 2HG PRO 47 -0.401 3.703 -14.004
208 HD2 PRO 47 1HD PRO 47 2.005 2.707 -12.432
209 HD3 PRO 47 2HD PRO 47 1.284 4.321 -12.451
210 H GLY 48 H GLY 48 0.919 0.808 -10.552
211 HA2 GLY 48 1HA GLY 48 -0.361 -1.716 -10.113
212 HA3 GLY 48 2HA GLY 48 1.111 -1.132 -9.305
213 H GLY 49 H GLY 49 -0.357 1.303 -8.350
214 HA2 GLY 49 1HA GLY 49 -2.330 1.675 -6.915
215 HA3 GLY 49 2HA GLY 49 -2.127 0.014 -6.309
216 H THR 50 H THR 50 0.929 0.760 -6.522
217 HA THR 50 HA THR 50 1.257 1.325 -3.704
218 HB THR 50 HB THR 50 3.301 1.514 -5.957
219 HG1 THR 50 HG1 THR 50 2.959 -0.586 -5.958
220 HG21 THR 50 3HG2 THR 50 3.624 1.192 -2.947
221 HG22 THR 50 1HG2 THR 50 4.943 1.184 -4.141
222 HG23 THR 50 2HG2 THR 50 3.987 2.663 -3.879
223 H ARG 51 H ARG 51 1.370 3.115 -2.611
224 HA ARG 51 HA ARG 51 1.406 5.689 -4.120
225 HB2 ARG 51 1HB ARG 51 -0.416 5.336 -2.589
226 HB3 ARG 51 2HB ARG 51 0.749 5.180 -1.253
227 HG2 ARG 51 1HG ARG 51 1.489 7.482 -1.601
228 HG3 ARG 51 2HG ARG 51 0.378 7.646 -2.983
229 HD2 ARG 51 1HD ARG 51 -1.506 7.334 -1.484
230 HD3 ARG 51 2HD ARG 51 -0.382 7.218 -0.111
231 HE ARG 51 HE ARG 51 -0.101 9.819 -1.448
232 HH11 ARG 51 1HH1 ARG 51 -2.180 8.067 0.735
233 HH12 ARG 51 2HH1 ARG 51 -2.684 9.574 1.474
234 HH21 ARG 51 1HH2 ARG 51 -0.674 11.554 -0.618
235 HH22 ARG 51 2HH2 ARG 51 -1.826 11.564 0.703
236 H ILE 52 H ILE 52 3.228 6.667 -4.432
237 HA ILE 52 HA ILE 52 5.495 6.187 -2.543
238 HB ILE 52 HB ILE 52 5.395 7.588 -5.255
239 HG12 ILE 52 1HG1 ILE 52 6.596 4.928 -4.537
240 HG13 ILE 52 2HG1 ILE 52 4.994 5.150 -5.279
241 HG21 ILE 52 1HG2 ILE 52 7.861 7.540 -5.105
242 HG22 ILE 52 2HG2 ILE 52 7.157 8.480 -3.769
243 HG23 ILE 52 3HG2 ILE 52 7.750 6.829 -3.478
244 HD11 ILE 52 3HD1 ILE 52 7.648 6.001 -6.490
245 HD12 ILE 52 1HD1 ILE 52 6.689 4.584 -6.974
246 HD13 ILE 52 2HD1 ILE 52 6.046 6.223 -7.231
247 H ILE 53 H ILE 53 5.908 7.439 -0.965
248 HA ILE 53 HA ILE 53 5.003 10.294 -1.106
249 HB ILE 53 HB ILE 53 6.073 8.700 1.267
250 HG12 ILE 53 1HG1 ILE 53 4.010 7.747 0.555
251 HG13 ILE 53 2HG1 ILE 53 3.799 8.641 2.079
252 HG21 ILE 53 1HG2 ILE 53 5.183 10.589 2.589
253 HG22 ILE 53 2HG2 ILE 53 6.412 11.143 1.427
254 HG23 ILE 53 3HG2 ILE 53 4.685 11.404 1.087
255 HD11 ILE 53 3HD1 ILE 53 3.009 9.626 -0.684
256 HD12 ILE 53 1HD1 ILE 53 1.896 9.012 0.559
257 HD13 ILE 53 2HD1 ILE 53 2.798 10.520 0.839
258 H TYR 54 H TYR 54 6.278 11.907 -1.403
259 HA TYR 54 HA TYR 54 9.165 11.219 -1.776
260 HB2 TYR 54 1HB TYR 54 7.442 13.447 -2.877
261 HB3 TYR 54 2HB TYR 54 9.196 13.294 -3.139
262 HD1 TYR 54 HD2 TYR 54 10.039 11.182 -4.319
263 HD2 TYR 54 HD1 TYR 54 5.932 12.325 -4.298
264 HE1 TYR 54 HE2 TYR 54 9.633 9.717 -6.268
265 HE2 TYR 54 HE1 TYR 54 5.507 10.863 -6.252
266 HH TYR 54 HH TYR 54 8.100 8.935 -7.760
267 H ASP 55 H ASP 55 10.597 11.854 -0.390
268 HA ASP 55 HA ASP 55 9.970 14.167 1.388
269 HB2 ASP 55 1HB ASP 55 10.839 11.965 2.421
270 HB3 ASP 55 2HB ASP 55 12.233 12.271 1.354
271 H ARG 56 H ARG 56 10.393 16.044 0.511
272 HA ARG 56 HA ARG 56 12.538 16.369 -1.458
273 HB2 ARG 56 1HB ARG 56 10.694 18.337 -0.184
274 HB3 ARG 56 2HB ARG 56 11.939 18.731 -1.393
275 HG2 ARG 56 1HG ARG 56 10.811 17.630 -3.109
276 HG3 ARG 56 2HG ARG 56 9.862 16.635 -1.978
277 HD2 ARG 56 1HD ARG 56 8.526 18.292 -3.144
278 HD3 ARG 56 2HD ARG 56 8.528 18.523 -1.380
279 HE ARG 56 HE ARG 56 10.315 20.353 -2.962
280 HH11 ARG 56 1HH1 ARG 56 7.365 19.924 -1.153
281 HH12 ARG 56 2HH1 ARG 56 7.233 21.660 -0.945
282 HH21 ARG 56 1HH2 ARG 56 10.173 22.342 -2.741
283 HH22 ARG 56 2HH2 ARG 56 8.834 23.040 -1.851
284 H LYS 57 H LYS 57 14.561 16.944 -1.176
285 HA LYS 57 HA LYS 57 15.803 17.573 1.296
286 HB2 LYS 57 1HB LYS 57 17.034 17.027 -0.725
287 HB3 LYS 57 2HB LYS 57 16.450 18.518 -1.501
288 HG2 LYS 57 1HG LYS 57 17.671 19.866 0.150
289 HG3 LYS 57 2HG LYS 57 18.242 18.381 0.948
290 HD2 LYS 57 1HD LYS 57 19.437 17.723 -1.084
291 HD3 LYS 57 2HD LYS 57 18.826 19.166 -1.927
292 HE2 LYS 57 1HE LYS 57 20.005 20.610 -0.335
293 HE3 LYS 57 2HE LYS 57 20.598 19.177 0.535
294 HZ1 LYS 57 3HZ LYS 57 21.234 19.869 -2.261
295 HZ2 LYS 57 1HZ LYS 57 22.250 20.049 -0.974
296 HZ3 LYS 57 2HZ LYS 57 21.785 18.540 -1.455
297 H PHE 58 H PHE 58 14.174 19.690 -1.039
298 HA PHE 58 HA PHE 58 14.451 21.928 0.934
299 HB2 PHE 58 1HB PHE 58 13.663 22.005 -2.012
300 HB3 PHE 58 2HB PHE 58 13.872 23.409 -0.942
301 HD1 PHE 58 HD2 PHE 58 16.196 23.681 0.148
302 HD2 PHE 58 HD1 PHE 58 15.409 21.277 -3.295
303 HE1 PHE 58 HE2 PHE 58 18.581 23.816 -0.489
304 HE2 PHE 58 HE1 PHE 58 17.792 21.408 -3.934
305 HZ PHE 58 HZ PHE 58 19.379 22.677 -2.531
306 H LEU 59 H LEU 59 12.681 19.831 1.520
307 HA LEU 59 HA LEU 59 9.994 20.331 0.717
308 HB2 LEU 59 1HB LEU 59 10.793 18.413 1.798
309 HB3 LEU 59 2HB LEU 59 11.048 19.205 3.370
310 HG LEU 59 HG LEU 59 8.576 19.761 3.370
311 HD11 LEU 59 1HD1 LEU 59 7.122 18.347 1.892
312 HD12 LEU 59 2HD1 LEU 59 8.179 19.409 0.933
313 HD13 LEU 59 3HD1 LEU 59 8.580 17.685 1.117
314 HD21 LEU 59 3HD2 LEU 59 9.486 17.981 4.741
315 HD22 LEU 59 1HD2 LEU 59 7.888 17.508 4.115
316 HD23 LEU 59 2HD2 LEU 59 9.365 16.835 3.385
317 H LEU 60 H LEU 60 8.677 21.931 0.996
318 HA LEU 60 HA LEU 60 9.359 24.086 2.882
319 HB2 LEU 60 1HB LEU 60 7.137 23.565 1.019
320 HB3 LEU 60 2HB LEU 60 7.209 25.115 1.888
321 HG LEU 60 HG LEU 60 9.205 24.080 -0.162
322 HD11 LEU 60 1HD1 LEU 60 8.424 26.047 -1.509
323 HD12 LEU 60 2HD1 LEU 60 7.081 24.938 -1.147
324 HD13 LEU 60 3HD1 LEU 60 7.263 26.447 -0.222
325 HD21 LEU 60 3HD2 LEU 60 10.336 25.309 1.595
326 HD22 LEU 60 1HD2 LEU 60 10.323 26.268 0.095
327 HD23 LEU 60 2HD2 LEU 60 9.198 26.667 1.417
328 H ASP 61 H ASP 61 7.297 21.306 2.798
329 HA ASP 61 HA ASP 61 5.477 22.160 4.885
330 HB2 ASP 61 1HB ASP 61 5.075 20.171 3.263
331 HB3 ASP 61 2HB ASP 61 6.418 19.452 4.186
332 H ARG 62 H ARG 62 6.022 22.712 6.832
333 HA ARG 62 HA ARG 62 8.498 21.855 8.081
334 HB2 ARG 62 1HB ARG 62 7.500 24.006 8.505
335 HB3 ARG 62 2HB ARG 62 6.135 23.200 9.314
336 HG2 ARG 62 1HG ARG 62 7.645 22.303 11.013
337 HG3 ARG 62 2HG ARG 62 9.037 23.049 10.191
338 HD2 ARG 62 1HD ARG 62 8.105 25.244 10.634
339 HD3 ARG 62 2HD ARG 62 6.738 24.483 11.483
340 HE ARG 62 HE ARG 62 9.171 23.707 12.852
341 HH11 ARG 62 1HH1 ARG 62 7.315 26.600 12.262
342 HH12 ARG 62 2HH1 ARG 62 7.861 27.269 13.787
343 HH21 ARG 62 1HH2 ARG 62 9.811 24.463 14.599
344 HH22 ARG 62 2HH2 ARG 62 9.285 26.051 15.120
Start of MODEL 11
1 H2 PRO 18 1H PRO 18 -0.686 -0.754 -0.977
2 H3 PRO 18 2H PRO 18 -0.846 -0.346 0.457
3 HA PRO 18 HA PRO 18 1.509 -0.284 0.858
4 HB2 PRO 18 1HB PRO 18 2.678 -0.903 -1.551
5 HB3 PRO 18 2HB PRO 18 1.784 -2.137 -0.652
6 HG2 PRO 18 1HG PRO 18 0.857 -0.439 -2.993
7 HG3 PRO 18 2HG PRO 18 0.648 -2.176 -2.728
8 HD2 PRO 18 1HD PRO 18 -1.356 -0.376 -2.167
9 HD3 PRO 18 2HD PRO 18 -1.161 -1.864 -1.231
10 H THR 19 H THR 19 3.204 1.044 0.869
11 HA THR 19 HA THR 19 3.061 3.409 -0.966
12 HB THR 19 HB THR 19 3.682 4.883 0.895
13 HG1 THR 19 HG1 THR 19 3.632 3.995 3.044
14 HG21 THR 19 3HG2 THR 19 1.244 3.185 1.556
15 HG22 THR 19 1HG2 THR 19 1.564 4.827 2.163
16 HG23 THR 19 2HG2 THR 19 1.278 4.559 0.427
17 H ARG 20 H ARG 20 5.070 4.700 -0.954
18 HA ARG 20 HA ARG 20 7.502 3.114 -0.298
19 HB2 ARG 20 1HB ARG 20 6.983 2.477 -2.537
20 HB3 ARG 20 2HB ARG 20 6.948 4.186 -3.030
21 HG2 ARG 20 1HG ARG 20 9.324 4.407 -2.471
22 HG3 ARG 20 2HG ARG 20 9.366 2.706 -1.948
23 HD2 ARG 20 1HD ARG 20 8.891 1.987 -4.192
24 HD3 ARG 20 2HD ARG 20 8.790 3.681 -4.727
25 HE ARG 20 HE ARG 20 11.457 3.313 -3.733
26 HH11 ARG 20 1HH1 ARG 20 9.496 1.946 -6.271
27 HH12 ARG 20 2HH1 ARG 20 10.930 1.671 -7.239
28 HH21 ARG 20 1HH2 ARG 20 13.110 2.995 -4.826
29 HH22 ARG 20 2HH2 ARG 20 12.992 2.268 -6.416
30 H THR 21 H THR 21 9.062 4.257 0.543
31 HA THR 21 HA THR 21 8.664 7.204 0.688
32 HB THR 21 HB THR 21 10.565 5.374 2.213
33 HG1 THR 21 HG1 THR 21 9.074 5.835 3.939
34 HG21 THR 21 3HG2 THR 21 9.867 8.312 2.595
35 HG22 THR 21 1HG2 THR 21 10.913 7.345 3.659
36 HG23 THR 21 2HG2 THR 21 11.415 7.682 1.985
37 H VAL 22 H VAL 22 9.564 8.425 -0.754
38 HA VAL 22 HA VAL 22 12.404 7.813 -1.561
39 HB VAL 22 HB VAL 22 10.180 8.963 -3.300
40 HG11 VAL 22 1HG1 VAL 22 11.902 8.966 -5.073
41 HG12 VAL 22 2HG1 VAL 22 12.377 10.015 -3.717
42 HG13 VAL 22 3HG1 VAL 22 13.114 8.405 -3.898
43 HG21 VAL 22 3HG2 VAL 22 9.961 6.565 -3.034
44 HG22 VAL 22 1HG2 VAL 22 10.505 6.972 -4.678
45 HG23 VAL 22 2HG2 VAL 22 11.667 6.339 -3.488
46 H ALA 23 H ALA 23 13.801 9.230 -1.026
47 HA ALA 23 HA ALA 23 12.886 11.910 -0.192
48 HB1 ALA 23 3HB ALA 23 15.641 10.632 -0.143
49 HB2 ALA 23 1HB ALA 23 15.215 12.212 0.554
50 HB3 ALA 23 2HB ALA 23 14.503 10.725 1.222
51 H ILE 24 H ILE 24 13.314 13.799 -1.163
52 HA ILE 24 HA ILE 24 14.907 13.762 -3.697
53 HB ILE 24 HB ILE 24 13.175 15.133 -4.808
54 HG12 ILE 24 1HG1 ILE 24 11.458 14.560 -2.408
55 HG13 ILE 24 2HG1 ILE 24 12.295 16.097 -2.724
56 HG21 ILE 24 1HG2 ILE 24 11.466 13.381 -5.145
57 HG22 ILE 24 2HG2 ILE 24 13.102 12.683 -5.124
58 HG23 ILE 24 3HG2 ILE 24 12.051 12.529 -3.696
59 HD11 ILE 24 3HD1 ILE 24 10.164 14.836 -4.486
60 HD12 ILE 24 1HD1 ILE 24 9.927 16.219 -3.394
61 HD13 ILE 24 2HD1 ILE 24 11.002 16.374 -4.804
62 H SER 25 H SER 25 15.363 15.910 -4.539
63 HA SER 25 HA SER 25 16.089 17.767 -2.281
64 HB2 SER 25 1HB SER 25 17.596 18.743 -3.713
65 HB3 SER 25 2HB SER 25 17.841 16.983 -3.656
66 HG SER 25 HG SER 25 17.958 17.829 -5.781
67 H ASP 26 H ASP 26 14.122 17.461 -5.204
68 HA ASP 26 HA ASP 26 12.575 19.831 -4.557
69 HB2 ASP 26 1HB ASP 26 14.860 20.649 -5.777
70 HB3 ASP 26 2HB ASP 26 13.950 19.924 -7.127
71 H ALA 27 H ALA 27 10.837 20.228 -6.023
72 HA ALA 27 HA ALA 27 9.790 17.744 -7.120
73 HB1 ALA 27 3HB ALA 27 8.727 20.587 -7.265
74 HB2 ALA 27 1HB ALA 27 7.835 19.118 -7.726
75 HB3 ALA 27 2HB ALA 27 8.313 19.373 -6.031
76 H ALA 28 H ALA 28 11.787 20.223 -8.319
77 HA ALA 28 HA ALA 28 11.072 20.160 -11.084
78 HB1 ALA 28 3HB ALA 28 13.786 20.602 -9.793
79 HB2 ALA 28 1HB ALA 28 13.361 20.984 -11.477
80 HB3 ALA 28 2HB ALA 28 12.573 21.856 -10.141
81 H GLN 29 H GLN 29 12.605 17.832 -9.052
82 HA GLN 29 HA GLN 29 13.778 16.372 -11.351
83 HB2 GLN 29 1HB GLN 29 13.650 15.678 -8.408
84 HB3 GLN 29 2HB GLN 29 14.580 14.819 -9.658
85 HG2 GLN 29 1HG GLN 29 15.316 17.677 -8.582
86 HG3 GLN 29 2HG GLN 29 15.925 16.013 -8.416
87 HE21 GLN 29 2HE2 GLN 29 16.303 18.910 -10.020
88 HE22 GLN 29 1HE2 GLN 29 17.165 18.350 -11.415
89 H LEU 30 H LEU 30 10.769 16.672 -10.042
90 HA LEU 30 HA LEU 30 10.067 13.799 -10.388
91 HB2 LEU 30 1HB LEU 30 8.567 16.178 -9.507
92 HB3 LEU 30 2HB LEU 30 7.819 14.566 -9.456
93 HG LEU 30 HG LEU 30 10.145 15.588 -7.785
94 HD11 LEU 30 1HD1 LEU 30 8.603 15.072 -5.874
95 HD12 LEU 30 2HD1 LEU 30 7.876 16.251 -6.991
96 HD13 LEU 30 3HD1 LEU 30 7.363 14.547 -7.037
97 HD21 LEU 30 3HD2 LEU 30 10.594 13.308 -8.474
98 HD22 LEU 30 1HD2 LEU 30 10.187 13.350 -6.742
99 HD23 LEU 30 2HD2 LEU 30 8.980 12.794 -7.927
100 HA PRO 31 HA PRO 31 8.098 14.393 -14.294
101 HB2 PRO 31 1HB PRO 31 5.969 12.654 -14.079
102 HB3 PRO 31 2HB PRO 31 7.619 12.039 -14.242
103 HG2 PRO 31 1HG PRO 31 5.952 12.380 -11.726
104 HG3 PRO 31 2HG PRO 31 6.936 10.999 -12.226
105 HD2 PRO 31 1HD PRO 31 7.883 12.831 -10.428
106 HD3 PRO 31 2HD PRO 31 8.970 12.040 -11.577
107 H HIS 32 H HIS 32 5.716 14.611 -15.141
108 HA HIS 32 HA HIS 32 4.613 16.912 -13.605
109 HB2 HIS 32 1HB HIS 32 4.123 15.941 -16.457
110 HB3 HIS 32 2HB HIS 32 3.319 17.343 -15.711
111 HD1 HIS 32 HD1 HIS 32 4.747 18.019 -18.151
112 HD2 HIS 32 HD2 HIS 32 6.784 17.936 -14.464
113 HE1 HIS 32 HE1 HIS 32 6.774 19.344 -18.472
114 H ASP 33 H ASP 33 4.236 13.807 -13.263
115 HA ASP 33 HA ASP 33 1.241 13.947 -13.094
116 HB2 ASP 33 1HB ASP 33 2.250 12.277 -14.868
117 HB3 ASP 33 2HB ASP 33 2.912 11.542 -13.387
118 H TYR 34 H TYR 34 2.146 14.979 -10.987
119 HA TYR 34 HA TYR 34 1.786 12.816 -8.966
120 HB2 TYR 34 1HB TYR 34 3.498 13.644 -7.555
121 HB3 TYR 34 2HB TYR 34 4.211 13.334 -9.158
122 HD1 TYR 34 HD1 TYR 34 3.101 15.987 -6.817
123 HD2 TYR 34 HD2 TYR 34 5.150 15.123 -10.455
124 HE1 TYR 34 HE1 TYR 34 3.956 18.312 -6.879
125 HE2 TYR 34 HE2 TYR 34 6.012 17.438 -10.533
126 HH TYR 34 HH TYR 34 6.067 19.472 -9.509
127 H CYS 35 H CYS 35 1.329 13.741 -6.780
128 HA CYS 35 HA CYS 35 -0.281 16.306 -6.991
129 HB2 CYS 35 1HB CYS 35 -0.879 13.611 -5.693
130 HB3 CYS 35 2HB CYS 35 -1.906 15.061 -5.576
131 HG CYS 35 HG CYS 35 -2.998 13.316 -7.063
132 H THR 36 H THR 36 -0.845 17.069 -4.734
133 HA THR 36 HA THR 36 1.066 16.323 -2.608
134 HB THR 36 HB THR 36 2.292 18.076 -3.905
135 HG1 THR 36 HG1 THR 36 2.616 19.424 -2.037
136 HG21 THR 36 3HG2 THR 36 -0.078 19.815 -3.114
137 HG22 THR 36 1HG2 THR 36 1.422 20.388 -3.879
138 HG23 THR 36 2HG2 THR 36 0.327 19.302 -4.769
139 H TPO 37 H TPO 37 0.474 16.930 -0.562
140 HA TPO 37 HA TPO 37 -2.390 17.696 -0.310
141 HB TPO 37 HB TPO 37 -2.258 16.920 1.953
142 HG21 TPO 37 1HG2 TPO 37 -1.426 14.609 1.693
143 HG22 TPO 37 2HG2 TPO 37 -2.339 15.127 0.255
144 HG23 TPO 37 3HG2 TPO 37 -0.561 15.087 0.213
145 HA PRO 38 HA PRO 38 -1.968 21.780 1.007
146 HB2 PRO 38 1HB PRO 38 -3.307 21.006 3.634
147 HB3 PRO 38 2HB PRO 38 -3.767 22.278 2.494
148 HG2 PRO 38 1HG PRO 38 -5.189 20.027 2.574
149 HG3 PRO 38 2HG PRO 38 -4.816 20.757 1.008
150 HD2 PRO 38 1HD PRO 38 -3.532 18.338 2.335
151 HD3 PRO 38 2HD PRO 38 -3.917 18.595 0.629
152 H GLY 39 H GLY 39 -0.988 19.295 3.287
153 HA2 GLY 39 1HA GLY 39 0.506 21.015 5.023
154 HA3 GLY 39 2HA GLY 39 0.738 19.262 4.826
155 H GLY 40 H GLY 40 1.181 19.566 1.900
156 HA2 GLY 40 1HA GLY 40 2.771 20.751 0.469
157 HA3 GLY 40 2HA GLY 40 3.789 21.028 1.902
158 H THR 41 H THR 41 2.312 17.939 1.743
159 HA THR 41 HA THR 41 4.939 16.700 1.086
160 HB THR 41 HB THR 41 2.368 15.470 2.165
161 HG1 THR 41 HG1 THR 41 3.155 16.345 3.938
162 HG21 THR 41 3HG2 THR 41 5.158 14.304 1.819
163 HG22 THR 41 1HG2 THR 41 3.780 13.488 2.592
164 HG23 THR 41 2HG2 THR 41 3.726 13.874 0.855
165 H LEU 42 H LEU 42 5.409 16.004 -0.825
166 HA LEU 42 HA LEU 42 3.276 15.771 -2.854
167 HB2 LEU 42 1HB LEU 42 6.186 15.767 -2.721
168 HB3 LEU 42 2HB LEU 42 5.510 15.119 -4.234
169 HG LEU 42 HG LEU 42 4.251 17.314 -4.468
170 HD11 LEU 42 1HD1 LEU 42 5.210 19.267 -3.218
171 HD12 LEU 42 2HD1 LEU 42 4.507 18.070 -2.106
172 HD13 LEU 42 3HD1 LEU 42 6.271 18.154 -2.326
173 HD21 LEU 42 3HD2 LEU 42 6.197 16.796 -5.816
174 HD22 LEU 42 1HD2 LEU 42 6.201 18.521 -5.383
175 HD23 LEU 42 2HD2 LEU 42 7.280 17.388 -4.533
176 H PHE 43 H PHE 43 2.836 13.984 -4.105
177 HA PHE 43 HA PHE 43 4.113 11.413 -3.535
178 HB2 PHE 43 1HB PHE 43 2.103 10.274 -2.719
179 HB3 PHE 43 2HB PHE 43 2.507 11.611 -1.619
180 HD1 PHE 43 HD2 PHE 43 1.163 13.653 -1.605
181 HD2 PHE 43 HD1 PHE 43 0.089 10.244 -3.946
182 HE1 PHE 43 HE2 PHE 43 -1.137 14.534 -1.829
183 HE2 PHE 43 HE1 PHE 43 -2.211 11.123 -4.173
184 HZ PHE 43 HZ PHE 43 -2.823 13.269 -3.114
185 H SER 44 H SER 44 3.663 9.824 -5.012
186 HA SER 44 HA SER 44 1.641 10.422 -7.174
187 HB2 SER 44 1HB SER 44 3.655 11.370 -7.936
188 HB3 SER 44 2HB SER 44 4.481 9.808 -7.728
189 HG SER 44 HG SER 44 2.849 10.655 -9.721
190 H THR 45 H THR 45 0.477 8.659 -7.596
191 HA THR 45 HA THR 45 1.340 6.055 -6.464
192 HB THR 45 HB THR 45 -0.917 5.296 -6.943
193 HG1 THR 45 HG1 THR 45 -1.201 6.406 -8.940
194 HG21 THR 45 3HG2 THR 45 -0.965 8.134 -5.843
195 HG22 THR 45 1HG2 THR 45 -2.234 6.908 -5.616
196 HG23 THR 45 2HG2 THR 45 -0.620 6.662 -4.905
197 H TPO 46 H TPO 46 1.056 4.082 -7.697
198 HA TPO 46 HA TPO 46 1.588 4.487 -10.623
199 HB TPO 46 HB TPO 46 3.119 2.640 -10.620
200 HG21 TPO 46 1HG2 TPO 46 4.894 3.413 -9.088
201 HG22 TPO 46 2HG2 TPO 46 4.087 4.789 -9.879
202 HG23 TPO 46 3HG2 TPO 46 3.699 4.381 -8.192
203 HA PRO 47 HA PRO 47 -1.654 1.883 -11.731
204 HB2 PRO 47 1HB PRO 47 0.350 0.102 -13.183
205 HB3 PRO 47 2HB PRO 47 -1.115 0.862 -13.821
206 HG2 PRO 47 1HG PRO 47 1.262 1.885 -14.452
207 HG3 PRO 47 2HG PRO 47 -0.074 2.977 -14.069
208 HD2 PRO 47 1HD PRO 47 2.295 2.188 -12.332
209 HD3 PRO 47 2HD PRO 47 1.504 3.762 -12.482
210 H GLY 48 H GLY 48 1.203 0.329 -10.411
211 HA2 GLY 48 1HA GLY 48 -0.009 -2.208 -9.881
212 HA3 GLY 48 2HA GLY 48 1.414 -1.532 -9.055
213 H GLY 49 H GLY 49 -0.126 0.894 -8.254
214 HA2 GLY 49 1HA GLY 49 -2.107 1.338 -6.886
215 HA3 GLY 49 2HA GLY 49 -1.993 -0.324 -6.260
216 H THR 50 H THR 50 1.058 1.092 -6.638
217 HA THR 50 HA THR 50 1.265 1.507 -3.696
218 HB THR 50 HB THR 50 3.431 1.399 -5.839
219 HG1 THR 50 HG1 THR 50 3.013 -0.677 -5.631
220 HG21 THR 50 3HG2 THR 50 3.598 1.396 -2.799
221 HG22 THR 50 1HG2 THR 50 4.970 1.211 -3.917
222 HG23 THR 50 2HG2 THR 50 4.065 2.743 -3.864
223 H ARG 51 H ARG 51 1.382 3.381 -2.754
224 HA ARG 51 HA ARG 51 1.588 5.819 -4.449
225 HB2 ARG 51 1HB ARG 51 -0.229 5.793 -2.956
226 HB3 ARG 51 2HB ARG 51 0.848 5.460 -1.580
227 HG2 ARG 51 1HG ARG 51 1.883 7.641 -1.803
228 HG3 ARG 51 2HG ARG 51 0.937 7.974 -3.275
229 HD2 ARG 51 1HD ARG 51 -0.216 7.552 -0.536
230 HD3 ARG 51 2HD ARG 51 0.128 9.131 -1.278
231 HE ARG 51 HE ARG 51 -1.746 7.729 -2.992
232 HH11 ARG 51 1HH1 ARG 51 -1.661 9.146 0.194
233 HH12 ARG 51 2HH1 ARG 51 -3.374 9.503 0.087
234 HH21 ARG 51 1HH2 ARG 51 -3.709 8.126 -3.125
235 HH22 ARG 51 2HH2 ARG 51 -4.543 8.922 -1.805
236 H ILE 52 H ILE 52 3.497 6.556 -4.908
237 HA ILE 52 HA ILE 52 5.749 6.223 -2.999
238 HB ILE 52 HB ILE 52 5.597 7.590 -5.725
239 HG12 ILE 52 1HG1 ILE 52 6.801 4.935 -4.993
240 HG13 ILE 52 2HG1 ILE 52 5.197 5.157 -5.730
241 HG21 ILE 52 1HG2 ILE 52 8.066 7.547 -5.618
242 HG22 ILE 52 2HG2 ILE 52 7.385 8.501 -4.280
243 HG23 ILE 52 3HG2 ILE 52 7.984 6.852 -3.982
244 HD11 ILE 52 3HD1 ILE 52 7.851 5.984 -6.959
245 HD12 ILE 52 1HD1 ILE 52 6.884 4.567 -7.427
246 HD13 ILE 52 2HD1 ILE 52 6.247 6.207 -7.697
247 H ILE 53 H ILE 53 5.817 7.424 -1.310
248 HA ILE 53 HA ILE 53 4.850 10.243 -1.480
249 HB ILE 53 HB ILE 53 5.768 8.556 0.895
250 HG12 ILE 53 1HG1 ILE 53 2.995 9.462 0.173
251 HG13 ILE 53 2HG1 ILE 53 3.664 7.858 -0.209
252 HG21 ILE 53 1HG2 ILE 53 4.853 10.403 2.261
253 HG22 ILE 53 2HG2 ILE 53 6.176 10.973 1.219
254 HG23 ILE 53 3HG2 ILE 53 4.487 11.318 0.779
255 HD11 ILE 53 3HD1 ILE 53 3.314 9.022 2.577
256 HD12 ILE 53 1HD1 ILE 53 2.281 7.783 1.829
257 HD13 ILE 53 2HD1 ILE 53 3.983 7.419 2.195
258 H TYR 54 H TYR 54 6.036 11.940 -1.627
259 HA TYR 54 HA TYR 54 8.980 11.449 -1.788
260 HB2 TYR 54 1HB TYR 54 7.237 13.649 -2.916
261 HB3 TYR 54 2HB TYR 54 9.006 13.542 -3.088
262 HD1 TYR 54 HD2 TYR 54 9.967 11.531 -4.326
263 HD2 TYR 54 HD1 TYR 54 5.819 12.512 -4.428
264 HE1 TYR 54 HE2 TYR 54 9.698 10.133 -6.345
265 HE2 TYR 54 HE1 TYR 54 5.531 11.115 -6.453
266 HH TYR 54 HH TYR 54 8.258 9.352 -7.929
267 H ASP 55 H ASP 55 10.218 12.057 -0.216
268 HA ASP 55 HA ASP 55 9.327 14.306 1.540
269 HB2 ASP 55 1HB ASP 55 10.051 12.082 2.633
270 HB3 ASP 55 2HB ASP 55 11.575 12.405 1.771
271 H ARG 56 H ARG 56 9.858 16.200 0.761
272 HA ARG 56 HA ARG 56 12.351 16.536 -0.785
273 HB2 ARG 56 1HB ARG 56 10.328 17.574 -1.547
274 HB3 ARG 56 2HB ARG 56 10.258 18.534 -0.051
275 HG2 ARG 56 1HG ARG 56 12.385 19.614 -0.643
276 HG3 ARG 56 2HG ARG 56 12.458 18.650 -2.138
277 HD2 ARG 56 1HD ARG 56 10.594 19.761 -3.037
278 HD3 ARG 56 2HD ARG 56 10.246 20.563 -1.487
279 HE ARG 56 HE ARG 56 12.837 21.401 -2.690
280 HH11 ARG 56 1HH1 ARG 56 9.414 22.048 -2.519
281 HH12 ARG 56 2HH1 ARG 56 9.700 23.714 -2.980
282 HH21 ARG 56 1HH2 ARG 56 13.179 23.303 -3.227
283 HH22 ARG 56 2HH2 ARG 56 11.847 24.432 -3.385
284 H LYS 57 H LYS 57 14.204 16.729 0.177
285 HA LYS 57 HA LYS 57 14.616 17.361 2.908
286 HB2 LYS 57 1HB LYS 57 16.286 16.300 1.489
287 HB3 LYS 57 2HB LYS 57 16.436 17.795 0.535
288 HG2 LYS 57 1HG LYS 57 17.326 18.978 2.477
289 HG3 LYS 57 2HG LYS 57 17.111 17.527 3.484
290 HD2 LYS 57 1HD LYS 57 18.719 16.302 2.103
291 HD3 LYS 57 2HD LYS 57 18.904 17.718 1.040
292 HE2 LYS 57 1HE LYS 57 19.782 19.026 2.919
293 HE3 LYS 57 2HE LYS 57 19.579 17.626 3.996
294 HZ1 LYS 57 3HZ LYS 57 21.359 17.737 1.647
295 HZ2 LYS 57 1HZ LYS 57 21.842 17.830 3.221
296 HZ3 LYS 57 2HZ LYS 57 21.170 16.437 2.645
297 H PHE 58 H PHE 58 14.394 19.490 0.094
298 HA PHE 58 HA PHE 58 14.902 21.824 1.908
299 HB2 PHE 58 1HB PHE 58 15.112 21.633 -1.129
300 HB3 PHE 58 2HB PHE 58 15.483 23.061 -0.138
301 HD1 PHE 58 HD2 PHE 58 17.350 22.863 1.570
302 HD2 PHE 58 HD1 PHE 58 16.732 20.067 -1.600
303 HE1 PHE 58 HE2 PHE 58 19.696 22.111 1.778
304 HE2 PHE 58 HE1 PHE 58 19.076 19.310 -1.393
305 HZ PHE 58 HZ PHE 58 20.558 20.332 0.297
306 H LEU 59 H LEU 59 12.383 20.463 1.849
307 HA LEU 59 HA LEU 59 10.459 21.726 0.187
308 HB2 LEU 59 1HB LEU 59 10.135 19.817 1.507
309 HB3 LEU 59 2HB LEU 59 10.138 20.688 3.058
310 HG LEU 59 HG LEU 59 8.165 22.021 2.186
311 HD11 LEU 59 1HD1 LEU 59 6.856 20.968 0.322
312 HD12 LEU 59 2HD1 LEU 59 8.469 21.480 -0.229
313 HD13 LEU 59 3HD1 LEU 59 8.149 19.764 0.115
314 HD21 LEU 59 3HD2 LEU 59 7.893 20.253 3.822
315 HD22 LEU 59 1HD2 LEU 59 6.522 20.246 2.687
316 HD23 LEU 59 2HD2 LEU 59 7.813 19.030 2.530
317 H LEU 60 H LEU 60 9.880 23.717 -0.061
318 HA LEU 60 HA LEU 60 10.539 25.702 2.035
319 HB2 LEU 60 1HB LEU 60 9.348 25.854 -0.656
320 HB3 LEU 60 2HB LEU 60 9.719 27.343 0.243
321 HG LEU 60 HG LEU 60 11.707 25.287 -0.797
322 HD11 LEU 60 1HD1 LEU 60 12.517 27.198 -2.207
323 HD12 LEU 60 2HD1 LEU 60 10.808 26.829 -2.538
324 HD13 LEU 60 3HD1 LEU 60 11.236 28.225 -1.522
325 HD21 LEU 60 3HD2 LEU 60 12.418 26.140 1.357
326 HD22 LEU 60 1HD2 LEU 60 13.455 26.800 0.070
327 HD23 LEU 60 2HD2 LEU 60 12.189 27.815 0.802
328 H ASP 61 H ASP 61 7.882 23.807 1.044
329 HA ASP 61 HA ASP 61 5.761 25.586 1.893
330 HB2 ASP 61 1HB ASP 61 5.828 22.523 1.603
331 HB3 ASP 61 2HB ASP 61 4.489 23.578 2.119
332 H ARG 62 H ARG 62 4.691 25.816 3.762
333 HA ARG 62 HA ARG 62 6.200 25.309 6.189
334 HB2 ARG 62 1HB ARG 62 4.841 27.276 5.886
335 HB3 ARG 62 2HB ARG 62 3.384 26.254 5.886
336 HG2 ARG 62 1HG ARG 62 3.853 25.552 8.180
337 HG3 ARG 62 2HG ARG 62 5.348 26.518 8.184
338 HD2 ARG 62 1HD ARG 62 4.027 28.536 7.929
339 HD3 ARG 62 2HD ARG 62 2.541 27.558 7.961
340 HE ARG 62 HE ARG 62 3.939 27.123 10.461
341 HH11 ARG 62 1HH1 ARG 62 2.308 29.718 8.799
342 HH12 ARG 62 2HH1 ARG 62 1.848 30.423 10.336
343 HH21 ARG 62 1HH2 ARG 62 3.428 27.923 12.230
344 HH22 ARG 62 2HH2 ARG 62 2.487 29.400 12.294
Start of MODEL 12
1 H2 PRO 18 1H PRO 18 -0.697 -0.648 -1.108
2 H3 PRO 18 2H PRO 18 -0.966 -0.286 0.322
3 HA PRO 18 HA PRO 18 1.351 -0.222 0.898
4 HB2 PRO 18 1HB PRO 18 2.701 -0.759 -1.434
5 HB3 PRO 18 2HB PRO 18 1.753 -2.026 -0.643
6 HG2 PRO 18 1HG PRO 18 0.991 -0.259 -2.992
7 HG3 PRO 18 2HG PRO 18 0.776 -2.003 -2.800
8 HD2 PRO 18 1HD PRO 18 -1.278 -0.237 -2.335
9 HD3 PRO 18 2HD PRO 18 -1.142 -1.752 -1.434
10 H THR 19 H THR 19 3.076 1.089 1.027
11 HA THR 19 HA THR 19 3.011 3.526 -0.715
12 HB THR 19 HB THR 19 3.578 4.917 1.219
13 HG1 THR 19 HG1 THR 19 3.485 3.942 3.329
14 HG21 THR 19 3HG2 THR 19 1.130 3.192 1.759
15 HG22 THR 19 1HG2 THR 19 1.434 4.807 2.439
16 HG23 THR 19 2HG2 THR 19 1.185 4.611 0.687
17 H ARG 20 H ARG 20 5.028 4.799 -0.589
18 HA ARG 20 HA ARG 20 7.437 3.206 0.095
19 HB2 ARG 20 1HB ARG 20 6.911 2.535 -2.157
20 HB3 ARG 20 2HB ARG 20 6.984 4.237 -2.671
21 HG2 ARG 20 1HG ARG 20 9.346 4.343 -2.051
22 HG3 ARG 20 2HG ARG 20 9.284 2.658 -1.478
23 HD2 ARG 20 1HD ARG 20 8.870 1.885 -3.704
24 HD3 ARG 20 2HD ARG 20 8.823 3.560 -4.303
25 HE ARG 20 HE ARG 20 11.453 3.224 -3.262
26 HH11 ARG 20 1HH1 ARG 20 9.535 1.579 -5.664
27 HH12 ARG 20 2HH1 ARG 20 10.988 1.179 -6.559
28 HH21 ARG 20 1HH2 ARG 20 13.127 2.767 -4.271
29 HH22 ARG 20 2HH2 ARG 20 13.037 1.856 -5.765
30 H THR 21 H THR 21 9.043 4.362 0.853
31 HA THR 21 HA THR 21 8.707 7.330 0.833
32 HB THR 21 HB THR 21 10.497 5.549 2.539
33 HG1 THR 21 HG1 THR 21 8.982 6.191 4.185
34 HG21 THR 21 3HG2 THR 21 9.906 8.531 2.686
35 HG22 THR 21 1HG2 THR 21 10.886 7.607 3.848
36 HG23 THR 21 2HG2 THR 21 11.443 7.801 2.168
37 H VAL 22 H VAL 22 9.734 8.467 -0.584
38 HA VAL 22 HA VAL 22 12.537 7.656 -1.329
39 HB VAL 22 HB VAL 22 10.382 8.719 -3.204
40 HG11 VAL 22 1HG1 VAL 22 12.127 8.492 -4.940
41 HG12 VAL 22 2HG1 VAL 22 12.625 9.644 -3.679
42 HG13 VAL 22 3HG1 VAL 22 13.300 7.997 -3.697
43 HG21 VAL 22 3HG2 VAL 22 10.065 6.365 -2.722
44 HG22 VAL 22 1HG2 VAL 22 10.648 6.597 -4.386
45 HG23 VAL 22 2HG2 VAL 22 11.767 6.035 -3.123
46 H ALA 23 H ALA 23 14.004 9.086 -1.046
47 HA ALA 23 HA ALA 23 13.186 11.846 -0.389
48 HB1 ALA 23 3HB ALA 23 15.917 10.516 -0.398
49 HB2 ALA 23 1HB ALA 23 15.561 12.158 0.188
50 HB3 ALA 23 2HB ALA 23 14.867 10.746 1.020
51 H ILE 24 H ILE 24 13.566 13.634 -1.547
52 HA ILE 24 HA ILE 24 14.942 13.343 -4.190
53 HB ILE 24 HB ILE 24 13.115 14.613 -5.277
54 HG12 ILE 24 1HG1 ILE 24 11.589 14.240 -2.714
55 HG13 ILE 24 2HG1 ILE 24 12.402 15.744 -3.203
56 HG21 ILE 24 1HG2 ILE 24 11.404 12.828 -5.315
57 HG22 ILE 24 2HG2 ILE 24 13.045 12.143 -5.366
58 HG23 ILE 24 3HG2 ILE 24 12.115 12.114 -3.850
59 HD11 ILE 24 3HD1 ILE 24 10.152 14.369 -4.712
60 HD12 ILE 24 1HD1 ILE 24 9.993 15.830 -3.711
61 HD13 ILE 24 2HD1 ILE 24 10.966 15.873 -5.202
62 H SER 25 H SER 25 15.342 15.382 -5.269
63 HA SER 25 HA SER 25 16.520 17.312 -3.335
64 HB2 SER 25 1HB SER 25 16.638 17.164 -6.287
65 HB3 SER 25 2HB SER 25 17.469 18.329 -5.230
66 HG SER 25 HG SER 25 18.778 16.530 -5.774
67 H ASP 26 H ASP 26 14.011 17.201 -5.884
68 HA ASP 26 HA ASP 26 12.547 19.422 -4.699
69 HB2 ASP 26 1HB ASP 26 14.599 20.422 -6.193
70 HB3 ASP 26 2HB ASP 26 13.451 19.858 -7.432
71 H ALA 27 H ALA 27 10.647 20.035 -5.982
72 HA ALA 27 HA ALA 27 9.290 17.708 -6.982
73 HB1 ALA 27 3HB ALA 27 8.602 20.653 -7.276
74 HB2 ALA 27 1HB ALA 27 7.504 19.292 -7.601
75 HB3 ALA 27 2HB ALA 27 8.093 19.585 -5.948
76 H ALA 28 H ALA 28 11.361 20.052 -8.467
77 HA ALA 28 HA ALA 28 10.553 19.682 -11.184
78 HB1 ALA 28 3HB ALA 28 13.298 20.301 -10.042
79 HB2 ALA 28 1HB ALA 28 12.813 20.490 -11.742
80 HB3 ALA 28 2HB ALA 28 12.052 21.492 -10.484
81 H GLN 29 H GLN 29 12.121 17.586 -8.962
82 HA GLN 29 HA GLN 29 13.332 15.930 -11.099
83 HB2 GLN 29 1HB GLN 29 13.154 15.484 -8.113
84 HB3 GLN 29 2HB GLN 29 14.131 14.550 -9.270
85 HG2 GLN 29 1HG GLN 29 14.783 17.498 -8.402
86 HG3 GLN 29 2HG GLN 29 15.423 15.866 -8.101
87 HE21 GLN 29 2HE2 GLN 29 15.771 18.642 -9.911
88 HE22 GLN 29 1HE2 GLN 29 16.673 18.001 -11.243
89 H LEU 30 H LEU 30 10.295 16.325 -9.906
90 HA LEU 30 HA LEU 30 9.624 13.421 -10.069
91 HB2 LEU 30 1HB LEU 30 8.104 15.822 -9.285
92 HB3 LEU 30 2HB LEU 30 7.375 14.205 -9.157
93 HG LEU 30 HG LEU 30 9.684 15.344 -7.540
94 HD11 LEU 30 1HD1 LEU 30 8.165 14.854 -5.606
95 HD12 LEU 30 2HD1 LEU 30 7.398 15.967 -6.763
96 HD13 LEU 30 3HD1 LEU 30 6.938 14.248 -6.743
97 HD21 LEU 30 3HD2 LEU 30 10.201 13.054 -8.145
98 HD22 LEU 30 1HD2 LEU 30 9.798 13.149 -6.414
99 HD23 LEU 30 2HD2 LEU 30 8.605 12.512 -7.573
100 HA PRO 31 HA PRO 31 7.690 13.725 -14.069
101 HB2 PRO 31 1HB PRO 31 5.588 11.973 -12.773
102 HB3 PRO 31 2HB PRO 31 6.518 11.671 -14.248
103 HG2 PRO 31 1HG PRO 31 7.095 10.305 -12.027
104 HG3 PRO 31 2HG PRO 31 8.409 10.884 -13.062
105 HD2 PRO 31 1HD PRO 31 7.385 12.076 -10.443
106 HD3 PRO 31 2HD PRO 31 9.055 11.846 -10.975
107 H HIS 32 H HIS 32 6.014 14.758 -15.017
108 HA HIS 32 HA HIS 32 5.277 17.057 -13.470
109 HB2 HIS 32 1HB HIS 32 4.407 16.078 -16.221
110 HB3 HIS 32 2HB HIS 32 3.893 17.634 -15.526
111 HD2 HIS 32 HD2 HIS 32 7.534 17.479 -14.505
112 HE1 HIS 32 HE1 HIS 32 7.456 19.016 -18.466
113 HE2 HIS 32 HE2 HIS 32 8.862 18.646 -16.275
114 H ASP 33 H ASP 33 3.805 13.996 -13.774
115 HA ASP 33 HA ASP 33 1.100 15.049 -13.127
116 HB2 ASP 33 1HB ASP 33 0.318 12.757 -13.572
117 HB3 ASP 33 2HB ASP 33 1.468 13.377 -14.782
118 H TYR 34 H TYR 34 3.664 14.870 -11.339
119 HA TYR 34 HA TYR 34 2.917 13.231 -9.098
120 HB2 TYR 34 1HB TYR 34 4.575 14.326 -7.919
121 HB3 TYR 34 2HB TYR 34 5.143 14.383 -9.606
122 HD1 TYR 34 HD1 TYR 34 3.626 16.387 -6.873
123 HD2 TYR 34 HD2 TYR 34 5.442 16.476 -10.730
124 HE1 TYR 34 HE1 TYR 34 3.817 18.852 -6.717
125 HE2 TYR 34 HE2 TYR 34 5.640 18.935 -10.592
126 HH TYR 34 HH TYR 34 5.255 20.797 -9.339
127 H CYS 35 H CYS 35 2.204 13.925 -7.007
128 HA CYS 35 HA CYS 35 0.107 16.116 -7.165
129 HB2 CYS 35 1HB CYS 35 0.103 13.354 -5.868
130 HB3 CYS 35 2HB CYS 35 -1.236 14.528 -5.837
131 HG CYS 35 HG CYS 35 -1.820 12.550 -7.316
132 H THR 36 H THR 36 -0.536 16.889 -5.012
133 HA THR 36 HA THR 36 1.383 16.477 -2.803
134 HB THR 36 HB THR 36 2.378 18.339 -4.181
135 HG1 THR 36 HG1 THR 36 2.552 19.740 -2.331
136 HG21 THR 36 3HG2 THR 36 -0.185 19.771 -3.374
137 HG22 THR 36 1HG2 THR 36 1.221 20.522 -4.165
138 HG23 THR 36 2HG2 THR 36 0.262 19.296 -5.028
139 H TPO 37 H TPO 37 0.647 17.051 -0.801
140 HA TPO 37 HA TPO 37 -2.297 17.468 -0.663
141 HB TPO 37 HB TPO 37 -2.157 16.756 1.621
142 HG21 TPO 37 1HG2 TPO 37 -1.043 14.558 1.444
143 HG22 TPO 37 2HG2 TPO 37 -1.959 14.933 -0.036
144 HG23 TPO 37 3HG2 TPO 37 -0.188 15.108 -0.015
145 HA PRO 38 HA PRO 38 -2.430 21.596 0.554
146 HB2 PRO 38 1HB PRO 38 -3.711 20.717 3.180
147 HB3 PRO 38 2HB PRO 38 -4.300 21.905 2.010
148 HG2 PRO 38 1HG PRO 38 -5.442 19.501 2.108
149 HG3 PRO 38 2HG PRO 38 -5.128 20.244 0.534
150 HD2 PRO 38 1HD PRO 38 -3.596 18.015 1.924
151 HD3 PRO 38 2HD PRO 38 -3.962 18.207 0.205
152 H GLY 39 H GLY 39 -1.220 19.329 2.959
153 HA2 GLY 39 1HA GLY 39 0.076 21.273 4.614
154 HA3 GLY 39 2HA GLY 39 0.502 19.550 4.487
155 H GLY 40 H GLY 40 0.992 19.650 1.614
156 HA2 GLY 40 1HA GLY 40 2.432 20.949 0.097
157 HA3 GLY 40 2HA GLY 40 3.395 21.432 1.513
158 H THR 41 H THR 41 2.300 18.201 1.621
159 HA THR 41 HA THR 41 5.047 17.211 1.114
160 HB THR 41 HB THR 41 2.532 15.781 2.075
161 HG1 THR 41 HG1 THR 41 3.284 17.098 3.695
162 HG21 THR 41 3HG2 THR 41 5.422 14.836 1.908
163 HG22 THR 41 1HG2 THR 41 4.071 13.932 2.634
164 HG23 THR 41 2HG2 THR 41 4.082 14.268 0.886
165 H LEU 42 H LEU 42 5.739 16.191 -0.596
166 HA LEU 42 HA LEU 42 3.891 15.975 -2.890
167 HB2 LEU 42 1HB LEU 42 6.764 15.443 -2.496
168 HB3 LEU 42 2HB LEU 42 6.052 15.377 -4.126
169 HG LEU 42 HG LEU 42 6.237 17.840 -2.347
170 HD11 LEU 42 1HD1 LEU 42 7.856 18.662 -4.078
171 HD12 LEU 42 2HD1 LEU 42 8.434 17.163 -3.312
172 HD13 LEU 42 3HD1 LEU 42 7.703 17.109 -4.934
173 HD21 LEU 42 3HD2 LEU 42 4.240 17.865 -3.721
174 HD22 LEU 42 1HD2 LEU 42 5.406 19.068 -4.322
175 HD23 LEU 42 2HD2 LEU 42 5.203 17.520 -5.177
176 H PHE 43 H PHE 43 3.350 14.178 -4.003
177 HA PHE 43 HA PHE 43 4.519 11.578 -3.346
178 HB2 PHE 43 1HB PHE 43 2.506 10.508 -2.532
179 HB3 PHE 43 2HB PHE 43 2.804 11.929 -1.504
180 HD1 PHE 43 HD2 PHE 43 1.420 13.934 -1.733
181 HD2 PHE 43 HD1 PHE 43 0.577 10.337 -3.878
182 HE1 PHE 43 HE2 PHE 43 -0.877 14.735 -2.170
183 HE2 PHE 43 HE1 PHE 43 -1.720 11.136 -4.319
184 HZ PHE 43 HZ PHE 43 -2.446 13.336 -3.465
185 H SER 44 H SER 44 3.828 9.881 -4.720
186 HA SER 44 HA SER 44 1.939 10.587 -6.954
187 HB2 SER 44 1HB SER 44 4.007 11.328 -7.761
188 HB3 SER 44 2HB SER 44 4.728 9.732 -7.448
189 HG SER 44 HG SER 44 4.009 9.975 -9.609
190 H THR 45 H THR 45 0.620 8.919 -7.294
191 HA THR 45 HA THR 45 1.397 6.232 -6.242
192 HB THR 45 HB THR 45 -1.316 7.294 -7.139
193 HG1 THR 45 HG1 THR 45 -0.548 8.175 -5.140
194 HG21 THR 45 3HG2 THR 45 -0.524 4.687 -5.780
195 HG22 THR 45 1HG2 THR 45 -2.187 5.214 -6.131
196 HG23 THR 45 2HG2 THR 45 -1.065 4.858 -7.466
197 H TPO 46 H TPO 46 1.987 4.659 -7.492
198 HA TPO 46 HA TPO 46 1.929 5.076 -10.417
199 HB TPO 46 HB TPO 46 3.375 3.153 -10.555
200 HG21 TPO 46 1HG2 TPO 46 5.227 3.799 -9.054
201 HG22 TPO 46 2HG2 TPO 46 4.449 5.234 -9.766
202 HG23 TPO 46 3HG2 TPO 46 4.099 4.774 -8.083
203 HA PRO 47 HA PRO 47 -1.421 2.648 -11.621
204 HB2 PRO 47 1HB PRO 47 0.494 0.909 -13.234
205 HB3 PRO 47 2HB PRO 47 -0.955 1.761 -13.787
206 HG2 PRO 47 1HG PRO 47 1.445 2.743 -14.397
207 HG3 PRO 47 2HG PRO 47 0.155 3.852 -13.913
208 HD2 PRO 47 1HD PRO 47 2.525 2.861 -12.281
209 HD3 PRO 47 2HD PRO 47 1.795 4.471 -12.312
210 H GLY 48 H GLY 48 1.409 0.955 -10.435
211 HA2 GLY 48 1HA GLY 48 0.153 -1.586 -10.043
212 HA3 GLY 48 2HA GLY 48 1.589 -0.981 -9.184
213 H GLY 49 H GLY 49 0.097 1.422 -8.243
214 HA2 GLY 49 1HA GLY 49 -1.893 1.833 -6.880
215 HA3 GLY 49 2HA GLY 49 -1.829 0.136 -6.351
216 H THR 50 H THR 50 1.264 1.479 -6.591
217 HA THR 50 HA THR 50 1.445 1.680 -3.631
218 HB THR 50 HB THR 50 3.625 1.743 -5.759
219 HG1 THR 50 HG1 THR 50 3.214 -0.341 -5.729
220 HG21 THR 50 3HG2 THR 50 3.771 1.483 -2.730
221 HG22 THR 50 1HG2 THR 50 5.149 1.388 -3.849
222 HG23 THR 50 2HG2 THR 50 4.249 2.913 -3.674
223 H ARG 51 H ARG 51 1.288 3.492 -2.605
224 HA ARG 51 HA ARG 51 1.554 6.052 -4.058
225 HB2 ARG 51 1HB ARG 51 -0.266 5.794 -2.554
226 HB3 ARG 51 2HB ARG 51 0.858 5.481 -1.211
227 HG2 ARG 51 1HG ARG 51 1.753 7.739 -1.391
228 HG3 ARG 51 2HG ARG 51 0.712 8.061 -2.800
229 HD2 ARG 51 1HD ARG 51 -1.243 7.901 -1.437
230 HD3 ARG 51 2HD ARG 51 -0.257 7.454 -0.025
231 HE ARG 51 HE ARG 51 0.538 10.113 -0.893
232 HH11 ARG 51 1HH1 ARG 51 -2.197 8.515 0.563
233 HH12 ARG 51 2HH1 ARG 51 -2.626 9.995 1.398
234 HH21 ARG 51 1HH2 ARG 51 0.057 11.818 0.050
235 HH22 ARG 51 2HH2 ARG 51 -1.341 11.880 1.106
236 H ILE 52 H ILE 52 3.539 6.628 -4.545
237 HA ILE 52 HA ILE 52 5.736 6.266 -2.582
238 HB ILE 52 HB ILE 52 5.708 7.582 -5.337
239 HG12 ILE 52 1HG1 ILE 52 6.713 4.861 -4.548
240 HG13 ILE 52 2HG1 ILE 52 5.147 5.184 -5.327
241 HG21 ILE 52 1HG2 ILE 52 8.166 7.377 -5.184
242 HG22 ILE 52 2HG2 ILE 52 7.526 8.391 -3.870
243 HG23 ILE 52 3HG2 ILE 52 8.008 6.711 -3.542
244 HD11 ILE 52 3HD1 ILE 52 7.879 5.809 -6.500
245 HD12 ILE 52 1HD1 ILE 52 6.828 4.456 -6.975
246 HD13 ILE 52 2HD1 ILE 52 6.313 6.133 -7.280
247 H ILE 53 H ILE 53 5.682 7.499 -0.896
248 HA ILE 53 HA ILE 53 4.987 10.379 -1.195
249 HB ILE 53 HB ILE 53 5.736 8.715 1.254
250 HG12 ILE 53 1HG1 ILE 53 3.056 9.810 0.453
251 HG13 ILE 53 2HG1 ILE 53 3.599 8.146 0.141
252 HG21 ILE 53 1HG2 ILE 53 4.953 10.675 2.539
253 HG22 ILE 53 2HG2 ILE 53 6.332 11.101 1.500
254 HG23 ILE 53 3HG2 ILE 53 4.682 11.563 1.021
255 HD11 ILE 53 3HD1 ILE 53 3.304 9.438 2.875
256 HD12 ILE 53 1HD1 ILE 53 2.185 8.257 2.155
257 HD13 ILE 53 2HD1 ILE 53 3.848 7.772 2.564
258 H TYR 54 H TYR 54 6.298 11.993 -1.334
259 HA TYR 54 HA TYR 54 9.189 11.247 -1.515
260 HB2 TYR 54 1HB TYR 54 7.601 13.520 -2.724
261 HB3 TYR 54 2HB TYR 54 9.361 13.302 -2.884
262 HD1 TYR 54 HD2 TYR 54 10.159 11.073 -3.943
263 HD2 TYR 54 HD1 TYR 54 6.167 12.531 -4.295
264 HE1 TYR 54 HE2 TYR 54 9.811 9.615 -5.909
265 HE2 TYR 54 HE1 TYR 54 5.802 11.077 -6.267
266 HH TYR 54 HH TYR 54 8.358 8.932 -7.524
267 H ASP 55 H ASP 55 10.596 11.935 -0.117
268 HA ASP 55 HA ASP 55 9.899 14.251 1.628
269 HB2 ASP 55 1HB ASP 55 10.870 12.096 2.671
270 HB3 ASP 55 2HB ASP 55 12.240 12.452 1.591
271 H ARG 56 H ARG 56 10.250 16.143 0.753
272 HA ARG 56 HA ARG 56 12.328 16.479 -1.300
273 HB2 ARG 56 1HB ARG 56 10.002 17.515 -1.248
274 HB3 ARG 56 2HB ARG 56 10.747 18.704 -0.153
275 HG2 ARG 56 1HG ARG 56 12.392 19.281 -1.864
276 HG3 ARG 56 2HG ARG 56 11.707 18.053 -2.956
277 HD2 ARG 56 1HD ARG 56 10.881 20.064 -3.718
278 HD3 ARG 56 2HD ARG 56 9.548 19.350 -2.781
279 HE ARG 56 HE ARG 56 10.939 21.270 -1.093
280 HH11 ARG 56 1HH1 ARG 56 8.889 21.215 -3.915
281 HH12 ARG 56 2HH1 ARG 56 8.258 22.795 -3.493
282 HH21 ARG 56 1HH2 ARG 56 10.232 23.083 -0.603
283 HH22 ARG 56 2HH2 ARG 56 9.023 23.862 -1.606
284 H LYS 57 H LYS 57 14.297 17.197 -1.087
285 HA LYS 57 HA LYS 57 15.627 17.684 1.333
286 HB2 LYS 57 1HB LYS 57 16.743 17.390 -0.812
287 HB3 LYS 57 2HB LYS 57 16.108 18.957 -1.365
288 HG2 LYS 57 1HG LYS 57 17.414 20.119 0.343
289 HG3 LYS 57 2HG LYS 57 18.010 18.562 0.969
290 HD2 LYS 57 1HD LYS 57 19.123 18.107 -1.164
291 HD3 LYS 57 2HD LYS 57 18.490 19.629 -1.835
292 HE2 LYS 57 1HE LYS 57 19.736 20.901 -0.149
293 HE3 LYS 57 2HE LYS 57 20.352 19.385 0.549
294 HZ1 LYS 57 3HZ LYS 57 20.887 20.357 -2.186
295 HZ2 LYS 57 1HZ LYS 57 21.952 20.401 -0.927
296 HZ3 LYS 57 2HZ LYS 57 21.460 18.951 -1.539
297 H PHE 58 H PHE 58 13.759 19.956 -0.636
298 HA PHE 58 HA PHE 58 14.219 22.031 1.482
299 HB2 PHE 58 1HB PHE 58 13.318 22.391 -1.410
300 HB3 PHE 58 2HB PHE 58 13.633 23.685 -0.232
301 HD1 PHE 58 HD2 PHE 58 15.994 23.861 0.713
302 HD2 PHE 58 HD1 PHE 58 14.991 21.622 -2.784
303 HE1 PHE 58 HE2 PHE 58 18.352 23.962 -0.025
304 HE2 PHE 58 HE1 PHE 58 17.348 21.718 -3.524
305 HZ PHE 58 HZ PHE 58 19.028 22.888 -2.144
306 H LEU 59 H LEU 59 12.361 19.847 1.773
307 HA LEU 59 HA LEU 59 9.689 20.608 1.132
308 HB2 LEU 59 1HB LEU 59 10.414 18.482 1.798
309 HB3 LEU 59 2HB LEU 59 10.717 18.937 3.491
310 HG LEU 59 HG LEU 59 8.275 19.574 3.652
311 HD11 LEU 59 1HD1 LEU 59 6.741 18.571 1.939
312 HD12 LEU 59 2HD1 LEU 59 7.838 19.765 1.205
313 HD13 LEU 59 3HD1 LEU 59 8.158 18.024 1.012
314 HD21 LEU 59 3HD2 LEU 59 9.114 17.505 4.598
315 HD22 LEU 59 1HD2 LEU 59 7.489 17.247 3.919
316 HD23 LEU 59 2HD2 LEU 59 8.926 16.679 3.032
317 H LEU 60 H LEU 60 8.476 22.202 1.728
318 HA LEU 60 HA LEU 60 9.292 23.876 4.020
319 HB2 LEU 60 1HB LEU 60 7.092 23.967 2.061
320 HB3 LEU 60 2HB LEU 60 7.313 25.304 3.213
321 HG LEU 60 HG LEU 60 9.226 24.464 1.001
322 HD11 LEU 60 1HD1 LEU 60 8.708 26.736 0.072
323 HD12 LEU 60 2HD1 LEU 60 7.238 25.744 0.210
324 HD13 LEU 60 3HD1 LEU 60 7.575 27.010 1.416
325 HD21 LEU 60 3HD2 LEU 60 10.454 25.181 2.966
326 HD22 LEU 60 1HD2 LEU 60 10.585 26.410 1.686
327 HD23 LEU 60 2HD2 LEU 60 9.486 26.671 3.062
328 H ASP 61 H ASP 61 7.235 21.228 3.463
329 HA ASP 61 HA ASP 61 5.355 21.864 5.631
330 HB2 ASP 61 1HB ASP 61 4.746 20.344 3.631
331 HB3 ASP 61 2HB ASP 61 6.027 19.310 4.312
332 H ARG 62 H ARG 62 6.195 22.108 7.571
333 HA ARG 62 HA ARG 62 8.414 20.519 8.560
334 HB2 ARG 62 1HB ARG 62 7.981 22.765 9.316
335 HB3 ARG 62 2HB ARG 62 6.479 22.202 10.086
336 HG2 ARG 62 1HG ARG 62 7.761 20.742 11.568
337 HG3 ARG 62 2HG ARG 62 9.274 21.244 10.775
338 HD2 ARG 62 1HD ARG 62 8.913 23.514 11.552
339 HD3 ARG 62 2HD ARG 62 7.422 22.989 12.367
340 HE ARG 62 HE ARG 62 9.622 21.472 13.488
341 HH11 ARG 62 1HH1 ARG 62 8.514 24.777 13.383
342 HH12 ARG 62 2HH1 ARG 62 9.240 25.076 14.950
343 HH21 ARG 62 1HH2 ARG 62 10.466 21.801 15.280
344 HH22 ARG 62 2HH2 ARG 62 10.354 23.380 16.033
Start of MODEL 13
1 H2 PRO 18 1H PRO 18 -0.364 -0.709 -1.841
2 H3 PRO 18 2H PRO 18 -1.043 -0.409 -0.538
3 HA PRO 18 HA PRO 18 1.012 -0.269 0.672
4 HB2 PRO 18 1HB PRO 18 2.990 -0.670 -1.187
5 HB3 PRO 18 2HB PRO 18 1.915 -2.000 -0.737
6 HG2 PRO 18 1HG PRO 18 1.777 -0.173 -3.158
7 HG3 PRO 18 2HG PRO 18 1.598 -1.932 -3.083
8 HD2 PRO 18 1HD PRO 18 -0.583 -0.256 -3.179
9 HD3 PRO 18 2HD PRO 18 -0.641 -1.803 -2.326
10 H THR 19 H THR 19 2.726 1.042 1.199
11 HA THR 19 HA THR 19 2.811 3.631 -0.307
12 HB THR 19 HB THR 19 2.723 3.315 2.723
13 HG1 THR 19 HG1 THR 19 0.698 4.429 2.451
14 HG21 THR 19 3HG2 THR 19 2.815 5.787 0.949
15 HG22 THR 19 1HG2 THR 19 2.657 5.784 2.722
16 HG23 THR 19 2HG2 THR 19 4.149 5.182 1.959
17 H ARG 20 H ARG 20 4.713 4.601 -0.537
18 HA ARG 20 HA ARG 20 7.067 3.340 0.821
19 HB2 ARG 20 1HB ARG 20 6.922 4.045 -2.076
20 HB3 ARG 20 2HB ARG 20 8.364 3.526 -1.174
21 HG2 ARG 20 1HG ARG 20 5.862 1.844 -1.478
22 HG3 ARG 20 2HG ARG 20 7.269 1.732 -2.563
23 HD2 ARG 20 1HD ARG 20 8.659 1.126 -0.659
24 HD3 ARG 20 2HD ARG 20 7.222 1.183 0.388
25 HE ARG 20 HE ARG 20 7.811 -1.045 -1.520
26 HH11 ARG 20 1HH1 ARG 20 5.527 0.417 0.673
27 HH12 ARG 20 2HH1 ARG 20 4.615 -1.078 0.730
28 HH21 ARG 20 1HH2 ARG 20 6.782 -2.767 -1.459
29 HH22 ARG 20 2HH2 ARG 20 5.330 -2.895 -0.485
30 H THR 21 H THR 21 8.998 4.649 0.819
31 HA THR 21 HA THR 21 8.377 7.582 0.710
32 HB THR 21 HB THR 21 10.048 6.142 2.814
33 HG1 THR 21 HG1 THR 21 8.338 6.895 4.201
34 HG21 THR 21 3HG2 THR 21 9.296 9.074 2.495
35 HG22 THR 21 1HG2 THR 21 10.194 8.373 3.862
36 HG23 THR 21 2HG2 THR 21 10.914 8.382 2.234
37 H VAL 22 H VAL 22 9.606 8.696 -0.561
38 HA VAL 22 HA VAL 22 12.421 7.758 -1.064
39 HB VAL 22 HB VAL 22 10.435 8.771 -3.142
40 HG11 VAL 22 1HG1 VAL 22 12.292 8.416 -4.736
41 HG12 VAL 22 2HG1 VAL 22 12.728 9.623 -3.503
42 HG13 VAL 22 3HG1 VAL 22 13.362 7.964 -3.388
43 HG21 VAL 22 3HG2 VAL 22 10.029 6.454 -2.563
44 HG22 VAL 22 1HG2 VAL 22 10.732 6.584 -4.192
45 HG23 VAL 22 2HG2 VAL 22 11.746 6.067 -2.824
46 H ALA 23 H ALA 23 13.911 9.160 -0.753
47 HA ALA 23 HA ALA 23 13.162 11.971 -0.292
48 HB1 ALA 23 3HB ALA 23 15.854 10.570 -0.163
49 HB2 ALA 23 1HB ALA 23 15.530 12.247 0.333
50 HB3 ALA 23 2HB ALA 23 14.775 10.897 1.214
51 H ILE 24 H ILE 24 13.637 13.693 -1.521
52 HA ILE 24 HA ILE 24 15.026 13.220 -4.131
53 HB ILE 24 HB ILE 24 13.246 14.487 -5.300
54 HG12 ILE 24 1HG1 ILE 24 11.694 14.292 -2.732
55 HG13 ILE 24 2HG1 ILE 24 12.547 15.746 -3.301
56 HG21 ILE 24 1HG2 ILE 24 11.485 12.753 -5.266
57 HG22 ILE 24 2HG2 ILE 24 13.105 12.019 -5.264
58 HG23 ILE 24 3HG2 ILE 24 12.161 12.094 -3.758
59 HD11 ILE 24 3HD1 ILE 24 10.269 14.343 -4.742
60 HD12 ILE 24 1HD1 ILE 24 10.142 15.863 -3.827
61 HD13 ILE 24 2HD1 ILE 24 11.122 15.797 -5.311
62 H SER 25 H SER 25 15.489 15.190 -5.313
63 HA SER 25 HA SER 25 16.730 17.170 -3.471
64 HB2 SER 25 1HB SER 25 16.844 16.889 -6.413
65 HB3 SER 25 2HB SER 25 17.727 18.054 -5.401
66 HG SER 25 HG SER 25 18.954 16.179 -5.871
67 H ASP 26 H ASP 26 14.218 17.022 -6.015
68 HA ASP 26 HA ASP 26 12.857 19.375 -4.955
69 HB2 ASP 26 1HB ASP 26 14.926 20.192 -6.523
70 HB3 ASP 26 2HB ASP 26 13.760 19.575 -7.719
71 H ALA 27 H ALA 27 10.923 19.920 -6.124
72 HA ALA 27 HA ALA 27 9.508 17.583 -7.012
73 HB1 ALA 27 3HB ALA 27 8.808 20.524 -7.309
74 HB2 ALA 27 1HB ALA 27 7.694 19.161 -7.553
75 HB3 ALA 27 2HB ALA 27 8.373 19.475 -5.939
76 H ALA 28 H ALA 28 11.476 19.922 -8.646
77 HA ALA 28 HA ALA 28 10.514 19.498 -11.306
78 HB1 ALA 28 3HB ALA 28 13.311 20.183 -10.337
79 HB2 ALA 28 1HB ALA 28 12.723 20.337 -12.009
80 HB3 ALA 28 2HB ALA 28 12.019 21.345 -10.722
81 H GLN 29 H GLN 29 12.255 17.468 -9.149
82 HA GLN 29 HA GLN 29 13.398 15.812 -11.318
83 HB2 GLN 29 1HB GLN 29 13.331 15.392 -8.322
84 HB3 GLN 29 2HB GLN 29 14.271 14.449 -9.503
85 HG2 GLN 29 1HG GLN 29 14.932 17.413 -8.700
86 HG3 GLN 29 2HG GLN 29 15.595 15.790 -8.399
87 HE21 GLN 29 2HE2 GLN 29 15.881 18.541 -10.244
88 HE22 GLN 29 1HE2 GLN 29 16.731 17.887 -11.605
89 H LEU 30 H LEU 30 10.407 16.144 -9.934
90 HA LEU 30 HA LEU 30 9.768 13.242 -10.031
91 HB2 LEU 30 1HB LEU 30 8.233 15.671 -9.377
92 HB3 LEU 30 2HB LEU 30 7.490 14.065 -9.200
93 HG LEU 30 HG LEU 30 9.794 15.236 -7.598
94 HD11 LEU 30 1HD1 LEU 30 8.239 14.857 -5.665
95 HD12 LEU 30 2HD1 LEU 30 7.511 15.935 -6.878
96 HD13 LEU 30 3HD1 LEU 30 7.016 14.228 -6.793
97 HD21 LEU 30 3HD2 LEU 30 10.272 12.914 -8.099
98 HD22 LEU 30 1HD2 LEU 30 9.848 13.088 -6.379
99 HD23 LEU 30 2HD2 LEU 30 8.658 12.427 -7.528
100 HA PRO 31 HA PRO 31 8.002 13.316 -14.119
101 HB2 PRO 31 1HB PRO 31 6.101 11.338 -12.827
102 HB3 PRO 31 2HB PRO 31 7.066 11.142 -14.298
103 HG2 PRO 31 1HG PRO 31 7.793 9.863 -12.072
104 HG3 PRO 31 2HG PRO 31 9.034 10.594 -13.100
105 HD2 PRO 31 1HD PRO 31 7.865 11.652 -10.487
106 HD3 PRO 31 2HD PRO 31 9.551 11.638 -11.019
107 H HIS 32 H HIS 32 6.349 14.272 -15.090
108 HA HIS 32 HA HIS 32 5.268 16.469 -13.790
109 HB2 HIS 32 1HB HIS 32 5.255 16.096 -16.282
110 HB3 HIS 32 2HB HIS 32 3.887 14.979 -16.064
111 HD1 HIS 32 HD1 HIS 32 3.115 17.048 -17.850
112 HD2 HIS 32 HD2 HIS 32 2.985 17.795 -13.705
113 HE1 HIS 32 HE1 HIS 32 1.650 18.982 -17.559
114 H ASP 33 H ASP 33 3.815 13.247 -14.047
115 HA ASP 33 HA ASP 33 1.323 14.094 -12.778
116 HB2 ASP 33 1HB ASP 33 1.606 12.057 -14.409
117 HB3 ASP 33 2HB ASP 33 2.474 11.391 -13.005
118 H TYR 34 H TYR 34 2.321 15.191 -10.953
119 HA TYR 34 HA TYR 34 2.277 13.255 -8.688
120 HB2 TYR 34 1HB TYR 34 4.094 14.244 -7.578
121 HB3 TYR 34 2HB TYR 34 4.645 13.883 -9.232
122 HD1 TYR 34 HD1 TYR 34 3.752 16.570 -6.866
123 HD2 TYR 34 HD2 TYR 34 5.191 15.672 -10.778
124 HE1 TYR 34 HE1 TYR 34 4.440 18.933 -7.146
125 HE2 TYR 34 HE2 TYR 34 5.884 18.026 -11.075
126 HH TYR 34 HH TYR 34 5.990 20.100 -10.139
127 H CYS 35 H CYS 35 1.920 14.335 -6.593
128 HA CYS 35 HA CYS 35 0.198 16.811 -6.864
129 HB2 CYS 35 1HB CYS 35 -0.443 14.095 -5.632
130 HB3 CYS 35 2HB CYS 35 -1.494 15.531 -5.582
131 HG CYS 35 HG CYS 35 -2.462 13.773 -7.137
132 H THR 36 H THR 36 -0.321 17.732 -4.745
133 HA THR 36 HA THR 36 1.563 16.900 -2.561
134 HB THR 36 HB THR 36 1.503 19.240 -1.756
135 HG1 THR 36 HG1 THR 36 0.595 20.826 -3.195
136 HG21 THR 36 3HG2 THR 36 2.341 18.997 -4.673
137 HG22 THR 36 1HG2 THR 36 2.896 20.243 -3.531
138 HG23 THR 36 2HG2 THR 36 3.329 18.537 -3.266
139 H TPO 37 H TPO 37 0.839 16.944 -0.456
140 HA TPO 37 HA TPO 37 -2.085 16.655 -0.143
141 HB TPO 37 HB TPO 37 -1.616 15.926 2.097
142 HG21 TPO 37 1HG2 TPO 37 0.016 14.107 1.736
143 HG22 TPO 37 2HG2 TPO 37 -1.066 14.285 0.333
144 HG23 TPO 37 3HG2 TPO 37 0.595 14.919 0.262
145 HA PRO 38 HA PRO 38 -3.291 20.519 1.359
146 HB2 PRO 38 1HB PRO 38 -3.996 19.184 4.014
147 HB3 PRO 38 2HB PRO 38 -5.006 20.224 3.001
148 HG2 PRO 38 1HG PRO 38 -5.436 17.596 2.997
149 HG3 PRO 38 2HG PRO 38 -5.501 18.484 1.467
150 HD2 PRO 38 1HD PRO 38 -3.293 16.687 2.533
151 HD3 PRO 38 2HD PRO 38 -3.864 16.879 0.870
152 H GLY 39 H GLY 39 -1.294 18.592 3.539
153 HA2 GLY 39 1HA GLY 39 -0.319 20.877 5.021
154 HA3 GLY 39 2HA GLY 39 0.410 19.255 4.966
155 H GLY 40 H GLY 40 0.679 19.169 2.084
156 HA2 GLY 40 1HA GLY 40 1.657 20.575 0.321
157 HA3 GLY 40 2HA GLY 40 2.591 21.415 1.582
158 H THR 41 H THR 41 2.090 17.928 1.515
159 HA THR 41 HA THR 41 5.017 17.567 1.008
160 HB THR 41 HB THR 41 2.951 15.667 2.198
161 HG1 THR 41 HG1 THR 41 3.635 17.351 3.610
162 HG21 THR 41 3HG2 THR 41 5.954 15.351 1.804
163 HG22 THR 41 1HG2 THR 41 4.890 14.207 2.655
164 HG23 THR 41 2HG2 THR 41 4.690 14.476 0.907
165 H LEU 42 H LEU 42 5.802 16.566 -0.688
166 HA LEU 42 HA LEU 42 4.048 16.144 -2.959
167 HB2 LEU 42 1HB LEU 42 6.865 15.576 -2.334
168 HB3 LEU 42 2HB LEU 42 6.275 15.213 -3.973
169 HG LEU 42 HG LEU 42 6.169 17.976 -2.714
170 HD11 LEU 42 1HD1 LEU 42 8.154 18.522 -4.149
171 HD12 LEU 42 2HD1 LEU 42 8.540 17.250 -2.966
172 HD13 LEU 42 3HD1 LEU 42 8.229 16.820 -4.664
173 HD21 LEU 42 3HD2 LEU 42 4.568 17.598 -4.495
174 HD22 LEU 42 1HD2 LEU 42 5.834 18.721 -5.045
175 HD23 LEU 42 2HD2 LEU 42 5.860 17.021 -5.574
176 H PHE 43 H PHE 43 3.243 14.369 -3.870
177 HA PHE 43 HA PHE 43 4.435 11.752 -3.276
178 HB2 PHE 43 1HB PHE 43 2.446 10.685 -2.436
179 HB3 PHE 43 2HB PHE 43 2.709 12.127 -1.428
180 HD1 PHE 43 HD2 PHE 43 1.267 14.069 -1.637
181 HD2 PHE 43 HD1 PHE 43 0.558 10.489 -3.857
182 HE1 PHE 43 HE2 PHE 43 -1.042 14.820 -2.107
183 HE2 PHE 43 HE1 PHE 43 -1.750 11.237 -4.331
184 HZ PHE 43 HZ PHE 43 -2.550 13.403 -3.456
185 H SER 44 H SER 44 3.713 10.071 -4.657
186 HA SER 44 HA SER 44 1.848 10.816 -6.896
187 HB2 SER 44 1HB SER 44 3.920 11.588 -7.670
188 HB3 SER 44 2HB SER 44 4.643 9.986 -7.395
189 HG SER 44 HG SER 44 2.888 10.842 -9.360
190 H THR 45 H THR 45 0.705 9.098 -7.594
191 HA THR 45 HA THR 45 1.426 6.413 -6.467
192 HB THR 45 HB THR 45 -1.275 7.464 -7.410
193 HG1 THR 45 HG1 THR 45 -0.573 8.298 -5.367
194 HG21 THR 45 3HG2 THR 45 -0.488 4.830 -6.104
195 HG22 THR 45 1HG2 THR 45 -2.147 5.346 -6.487
196 HG23 THR 45 2HG2 THR 45 -0.983 5.041 -7.800
197 H TPO 46 H TPO 46 2.058 4.871 -7.735
198 HA TPO 46 HA TPO 46 2.117 5.383 -10.646
199 HB TPO 46 HB TPO 46 3.590 3.483 -10.787
200 HG21 TPO 46 1HG2 TPO 46 5.363 4.083 -9.175
201 HG22 TPO 46 2HG2 TPO 46 4.606 5.539 -9.865
202 HG23 TPO 46 3HG2 TPO 46 4.181 5.009 -8.220
203 HA PRO 47 HA PRO 47 -1.146 2.978 -12.091
204 HB2 PRO 47 1HB PRO 47 0.860 1.257 -13.614
205 HB3 PRO 47 2HB PRO 47 -0.560 2.108 -14.237
206 HG2 PRO 47 1HG PRO 47 1.864 3.110 -14.701
207 HG3 PRO 47 2HG PRO 47 0.544 4.207 -14.274
208 HD2 PRO 47 1HD PRO 47 2.830 3.209 -12.531
209 HD3 PRO 47 2HD PRO 47 2.084 4.812 -12.574
210 H GLY 48 H GLY 48 1.610 1.229 -10.801
211 HA2 GLY 48 1HA GLY 48 0.297 -1.296 -10.497
212 HA3 GLY 48 2HA GLY 48 1.707 -0.728 -9.572
213 H GLY 49 H GLY 49 0.203 1.690 -8.669
214 HA2 GLY 49 1HA GLY 49 -1.865 2.075 -7.390
215 HA3 GLY 49 2HA GLY 49 -1.765 0.390 -6.827
216 H THR 50 H THR 50 1.342 1.293 -6.855
217 HA THR 50 HA THR 50 1.445 1.658 -3.962
218 HB THR 50 HB THR 50 3.659 1.911 -6.042
219 HG1 THR 50 HG1 THR 50 3.329 -0.188 -6.139
220 HG21 THR 50 3HG2 THR 50 3.748 1.481 -3.029
221 HG22 THR 50 1HG2 THR 50 5.154 1.503 -4.118
222 HG23 THR 50 2HG2 THR 50 4.191 2.980 -3.879
223 H ARG 51 H ARG 51 1.301 3.417 -2.840
224 HA ARG 51 HA ARG 51 1.562 6.043 -4.211
225 HB2 ARG 51 1HB ARG 51 -0.376 5.703 -2.867
226 HB3 ARG 51 2HB ARG 51 0.648 5.379 -1.448
227 HG2 ARG 51 1HG ARG 51 1.515 7.661 -1.525
228 HG3 ARG 51 2HG ARG 51 0.554 7.993 -2.986
229 HD2 ARG 51 1HD ARG 51 -1.477 7.740 -1.741
230 HD3 ARG 51 2HD ARG 51 -0.553 7.313 -0.281
231 HE ARG 51 HE ARG 51 0.155 10.020 -1.137
232 HH11 ARG 51 1HH1 ARG 51 -2.439 8.251 0.378
233 HH12 ARG 51 2HH1 ARG 51 -2.923 9.693 1.248
234 HH21 ARG 51 1HH2 ARG 51 -0.391 11.683 -0.155
235 HH22 ARG 51 2HH2 ARG 51 -1.756 11.651 0.945
236 H ILE 52 H ILE 52 3.474 6.879 -4.414
237 HA ILE 52 HA ILE 52 5.509 6.406 -2.267
238 HB ILE 52 HB ILE 52 5.792 7.575 -5.073
239 HG12 ILE 52 1HG1 ILE 52 6.731 4.922 -4.018
240 HG13 ILE 52 2HG1 ILE 52 5.243 5.171 -4.960
241 HG21 ILE 52 1HG2 ILE 52 8.221 7.406 -4.639
242 HG22 ILE 52 2HG2 ILE 52 7.436 8.491 -3.469
243 HG23 ILE 52 3HG2 ILE 52 7.886 6.840 -2.986
244 HD11 ILE 52 3HD1 ILE 52 8.068 5.767 -5.907
245 HD12 ILE 52 1HD1 ILE 52 7.080 4.370 -6.394
246 HD13 ILE 52 2HD1 ILE 52 6.580 6.016 -6.849
247 H ILE 53 H ILE 53 5.560 7.734 -0.686
248 HA ILE 53 HA ILE 53 4.928 10.613 -1.152
249 HB ILE 53 HB ILE 53 5.592 9.064 1.395
250 HG12 ILE 53 1HG1 ILE 53 2.969 10.226 0.501
251 HG13 ILE 53 2HG1 ILE 53 3.442 8.523 0.300
252 HG21 ILE 53 1HG2 ILE 53 4.885 11.126 2.561
253 HG22 ILE 53 2HG2 ILE 53 6.290 11.433 1.514
254 HG23 ILE 53 3HG2 ILE 53 4.665 11.939 0.993
255 HD11 ILE 53 3HD1 ILE 53 3.177 9.995 2.945
256 HD12 ILE 53 1HD1 ILE 53 2.015 8.822 2.287
257 HD13 ILE 53 2HD1 ILE 53 3.651 8.293 2.745
258 H TYR 54 H TYR 54 6.284 12.210 -1.251
259 HA TYR 54 HA TYR 54 9.154 11.370 -1.415
260 HB2 TYR 54 1HB TYR 54 7.644 13.639 -2.729
261 HB3 TYR 54 2HB TYR 54 9.395 13.345 -2.877
262 HD1 TYR 54 HD2 TYR 54 10.125 11.087 -3.878
263 HD2 TYR 54 HD1 TYR 54 6.152 12.596 -4.218
264 HE1 TYR 54 HE2 TYR 54 9.719 9.563 -5.780
265 HE2 TYR 54 HE1 TYR 54 5.728 11.075 -6.126
266 HH TYR 54 HH TYR 54 8.228 8.841 -7.343
267 H ASP 55 H ASP 55 10.631 12.168 -0.140
268 HA ASP 55 HA ASP 55 9.932 14.547 1.532
269 HB2 ASP 55 1HB ASP 55 10.820 12.423 2.703
270 HB3 ASP 55 2HB ASP 55 12.220 12.684 1.634
271 H ARG 56 H ARG 56 10.349 16.381 0.565
272 HA ARG 56 HA ARG 56 12.495 16.570 -1.434
273 HB2 ARG 56 1HB ARG 56 10.200 17.670 -1.497
274 HB3 ARG 56 2HB ARG 56 10.945 18.885 -0.431
275 HG2 ARG 56 1HG ARG 56 12.661 19.333 -2.117
276 HG3 ARG 56 2HG ARG 56 11.959 18.089 -3.178
277 HD2 ARG 56 1HD ARG 56 11.234 20.107 -4.031
278 HD3 ARG 56 2HD ARG 56 9.848 19.465 -3.120
279 HE ARG 56 HE ARG 56 11.229 21.385 -1.435
280 HH11 ARG 56 1HH1 ARG 56 9.329 21.333 -4.358
281 HH12 ARG 56 2HH1 ARG 56 8.747 22.950 -4.015
282 HH21 ARG 56 1HH2 ARG 56 10.579 23.240 -1.033
283 HH22 ARG 56 2HH2 ARG 56 9.459 24.039 -2.120
284 H LYS 57 H LYS 57 14.476 17.240 -1.194
285 HA LYS 57 HA LYS 57 15.757 17.771 1.241
286 HB2 LYS 57 1HB LYS 57 16.909 17.378 -0.876
287 HB3 LYS 57 2HB LYS 57 16.348 18.956 -1.477
288 HG2 LYS 57 1HG LYS 57 17.657 20.106 0.234
289 HG3 LYS 57 2HG LYS 57 18.172 18.545 0.916
290 HD2 LYS 57 1HD LYS 57 19.323 17.989 -1.172
291 HD3 LYS 57 2HD LYS 57 18.770 19.517 -1.899
292 HE2 LYS 57 1HE LYS 57 20.020 20.784 -0.214
293 HE3 LYS 57 2HE LYS 57 20.555 19.265 0.542
294 HZ1 LYS 57 3HZ LYS 57 21.205 20.138 -2.201
295 HZ2 LYS 57 1HZ LYS 57 22.235 20.176 -0.913
296 HZ3 LYS 57 2HZ LYS 57 21.702 18.729 -1.501
297 H PHE 58 H PHE 58 14.009 20.035 -0.846
298 HA PHE 58 HA PHE 58 14.474 22.157 1.225
299 HB2 PHE 58 1HB PHE 58 13.715 22.465 -1.712
300 HB3 PHE 58 2HB PHE 58 14.024 23.782 -0.559
301 HD1 PHE 58 HD2 PHE 58 16.343 23.914 0.483
302 HD2 PHE 58 HD1 PHE 58 15.421 21.586 -2.979
303 HE1 PHE 58 HE2 PHE 58 18.733 23.909 -0.148
304 HE2 PHE 58 HE1 PHE 58 17.811 21.578 -3.611
305 HZ PHE 58 HZ PHE 58 19.468 22.739 -2.196
306 H LEU 59 H LEU 59 12.523 20.060 1.504
307 HA LEU 59 HA LEU 59 9.915 20.885 0.697
308 HB2 LEU 59 1HB LEU 59 10.546 18.760 1.475
309 HB3 LEU 59 2HB LEU 59 10.750 19.268 3.168
310 HG LEU 59 HG LEU 59 8.322 19.975 3.144
311 HD11 LEU 59 1HD1 LEU 59 6.876 18.949 1.370
312 HD12 LEU 59 2HD1 LEU 59 8.050 20.086 0.668
313 HD13 LEU 59 3HD1 LEU 59 8.334 18.332 0.560
314 HD21 LEU 59 3HD2 LEU 59 9.037 17.923 4.217
315 HD22 LEU 59 1HD2 LEU 59 7.454 17.682 3.440
316 HD23 LEU 59 2HD2 LEU 59 8.929 17.044 2.673
317 H LEU 60 H LEU 60 8.776 22.576 1.148
318 HA LEU 60 HA LEU 60 9.508 24.355 3.349
319 HB2 LEU 60 1HB LEU 60 7.262 24.201 1.451
320 HB3 LEU 60 2HB LEU 60 7.397 25.606 2.533
321 HG LEU 60 HG LEU 60 9.355 24.794 0.350
322 HD11 LEU 60 1HD1 LEU 60 8.652 26.957 -0.708
323 HD12 LEU 60 2HD1 LEU 60 7.267 25.859 -0.502
324 HD13 LEU 60 3HD1 LEU 60 7.501 27.217 0.625
325 HD21 LEU 60 3HD2 LEU 60 10.525 25.723 2.259
326 HD22 LEU 60 1HD2 LEU 60 10.551 26.882 0.908
327 HD23 LEU 60 2HD2 LEU 60 9.438 27.133 2.275
328 H ASP 61 H ASP 61 7.255 21.751 2.877
329 HA ASP 61 HA ASP 61 5.528 22.381 5.112
330 HB2 ASP 61 1HB ASP 61 4.974 20.691 3.227
331 HB3 ASP 61 2HB ASP 61 6.291 19.763 3.986
332 H ARG 62 H ARG 62 6.202 22.665 7.083
333 HA ARG 62 HA ARG 62 8.601 21.412 8.135
334 HB2 ARG 62 1HB ARG 62 7.841 23.582 8.855
335 HB3 ARG 62 2HB ARG 62 6.416 22.822 9.602
336 HG2 ARG 62 1HG ARG 62 7.859 21.572 11.127
337 HG3 ARG 62 2HG ARG 62 9.303 22.271 10.357
338 HD2 ARG 62 1HD ARG 62 8.613 24.476 11.098
339 HD3 ARG 62 2HD ARG 62 7.193 23.755 11.891
340 HE ARG 62 HE ARG 62 9.559 22.574 13.074
341 HH11 ARG 62 1HH1 ARG 62 8.003 25.689 12.905
342 HH12 ARG 62 2HH1 ARG 62 8.645 26.102 14.483
343 HH21 ARG 62 1HH2 ARG 62 10.310 23.035 14.877
344 HH22 ARG 62 2HH2 ARG 62 9.961 24.589 15.608
Start of MODEL 14
1 H2 PRO 18 1H PRO 18 0.064 -1.510 -1.675
2 H3 PRO 18 2H PRO 18 -0.382 -1.287 -0.260
3 HA PRO 18 HA PRO 18 1.850 -1.086 0.569
4 HB2 PRO 18 1HB PRO 18 3.472 -1.324 -1.637
5 HB3 PRO 18 2HB PRO 18 2.568 -2.722 -1.042
6 HG2 PRO 18 1HG PRO 18 1.889 -0.846 -3.332
7 HG3 PRO 18 2HG PRO 18 1.811 -2.612 -3.283
8 HD2 PRO 18 1HD PRO 18 -0.428 -1.060 -2.921
9 HD3 PRO 18 2HD PRO 18 -0.247 -2.622 -2.113
10 H THR 19 H THR 19 3.483 0.323 0.929
11 HA THR 19 HA THR 19 3.281 2.926 -0.539
12 HB THR 19 HB THR 19 3.518 2.584 2.480
13 HG1 THR 19 HG1 THR 19 1.430 3.609 2.427
14 HG21 THR 19 3HG2 THR 19 3.324 5.072 0.737
15 HG22 THR 19 1HG2 THR 19 3.346 5.048 2.516
16 HG23 THR 19 2HG2 THR 19 4.778 4.518 1.600
17 H ARG 20 H ARG 20 5.102 3.973 -0.970
18 HA ARG 20 HA ARG 20 7.642 2.818 0.121
19 HB2 ARG 20 1HB ARG 20 7.105 3.458 -2.744
20 HB3 ARG 20 2HB ARG 20 8.693 3.096 -2.031
21 HG2 ARG 20 1HG ARG 20 6.327 1.200 -2.018
22 HG3 ARG 20 2HG ARG 20 7.639 1.163 -3.219
23 HD2 ARG 20 1HD ARG 20 9.232 0.741 -1.429
24 HD3 ARG 20 2HD ARG 20 7.890 0.720 -0.261
25 HE ARG 20 HE ARG 20 8.514 -1.527 -2.128
26 HH11 ARG 20 1HH1 ARG 20 6.245 -0.153 0.137
27 HH12 ARG 20 2HH1 ARG 20 5.455 -1.709 0.298
28 HH21 ARG 20 1HH2 ARG 20 7.625 -3.317 -1.947
29 HH22 ARG 20 2HH2 ARG 20 6.241 -3.514 -0.889
30 H THR 21 H THR 21 9.133 4.190 0.756
31 HA THR 21 HA THR 21 8.462 7.090 0.516
32 HB THR 21 HB THR 21 10.432 5.652 2.344
33 HG1 THR 21 HG1 THR 21 8.841 6.226 3.940
34 HG21 THR 21 3HG2 THR 21 9.499 8.549 2.280
35 HG22 THR 21 1HG2 THR 21 10.572 7.829 3.504
36 HG23 THR 21 2HG2 THR 21 11.115 7.968 1.814
37 H VAL 22 H VAL 22 9.427 8.329 -0.858
38 HA VAL 22 HA VAL 22 12.255 7.667 -1.668
39 HB VAL 22 HB VAL 22 10.015 8.747 -3.429
40 HG11 VAL 22 1HG1 VAL 22 11.716 8.676 -5.221
41 HG12 VAL 22 2HG1 VAL 22 12.206 9.782 -3.916
42 HG13 VAL 22 3HG1 VAL 22 12.942 8.166 -4.037
43 HG21 VAL 22 3HG2 VAL 22 9.801 6.362 -3.061
44 HG22 VAL 22 1HG2 VAL 22 10.325 6.700 -4.727
45 HG23 VAL 22 2HG2 VAL 22 11.501 6.119 -3.524
46 H ALA 23 H ALA 23 13.664 9.097 -1.202
47 HA ALA 23 HA ALA 23 12.790 11.815 -0.474
48 HB1 ALA 23 3HB ALA 23 15.546 10.537 -0.496
49 HB2 ALA 23 1HB ALA 23 15.151 12.146 0.152
50 HB3 ALA 23 2HB ALA 23 14.470 10.688 0.914
51 H ILE 24 H ILE 24 13.363 13.701 -1.466
52 HA ILE 24 HA ILE 24 14.905 13.639 -3.989
53 HB ILE 24 HB ILE 24 12.517 13.059 -4.655
54 HG12 ILE 24 1HG1 ILE 24 12.344 14.874 -6.350
55 HG13 ILE 24 2HG1 ILE 24 13.725 15.659 -5.552
56 HG21 ILE 24 1HG2 ILE 24 10.844 14.873 -4.522
57 HG22 ILE 24 2HG2 ILE 24 11.370 14.367 -2.900
58 HG23 ILE 24 3HG2 ILE 24 11.998 15.873 -3.609
59 HD11 ILE 24 3HD1 ILE 24 13.733 12.891 -6.803
60 HD12 ILE 24 1HD1 ILE 24 14.454 14.354 -7.510
61 HD13 ILE 24 2HD1 ILE 24 15.116 13.676 -6.004
62 H SER 25 H SER 25 15.748 15.513 -4.622
63 HA SER 25 HA SER 25 16.291 17.545 -2.676
64 HB2 SER 25 1HB SER 25 16.511 17.588 -5.624
65 HB3 SER 25 2HB SER 25 17.092 18.842 -4.505
66 HG SER 25 HG SER 25 18.709 17.313 -5.041
67 H ASP 26 H ASP 26 14.224 17.735 -5.612
68 HA ASP 26 HA ASP 26 12.390 19.590 -4.179
69 HB2 ASP 26 1HB ASP 26 13.925 20.323 -6.740
70 HB3 ASP 26 2HB ASP 26 12.350 20.948 -6.190
71 H ALA 27 H ALA 27 10.388 19.967 -5.265
72 HA ALA 27 HA ALA 27 9.295 17.570 -6.403
73 HB1 ALA 27 3HB ALA 27 8.198 20.404 -6.390
74 HB2 ALA 27 1HB ALA 27 7.275 18.933 -6.775
75 HB3 ALA 27 2HB ALA 27 7.929 19.169 -5.138
76 H ALA 28 H ALA 28 10.808 20.389 -7.790
77 HA ALA 28 HA ALA 28 9.886 20.058 -10.477
78 HB1 ALA 28 3HB ALA 28 12.523 21.163 -9.451
79 HB2 ALA 28 1HB ALA 28 11.879 21.371 -11.096
80 HB3 ALA 28 2HB ALA 28 11.027 22.091 -9.709
81 H GLN 29 H GLN 29 12.047 18.199 -8.550
82 HA GLN 29 HA GLN 29 13.375 17.027 -10.942
83 HB2 GLN 29 1HB GLN 29 13.812 16.508 -7.995
84 HB3 GLN 29 2HB GLN 29 14.810 15.910 -9.341
85 HG2 GLN 29 1HG GLN 29 14.744 18.909 -8.406
86 HG3 GLN 29 2HG GLN 29 15.852 17.521 -8.293
87 HE21 GLN 29 2HE2 GLN 29 15.110 20.301 -9.986
88 HE22 GLN 29 1HE2 GLN 29 15.944 19.960 -11.465
89 H LEU 30 H LEU 30 10.525 16.585 -9.518
90 HA LEU 30 HA LEU 30 10.643 13.607 -9.538
91 HB2 LEU 30 1HB LEU 30 8.652 15.634 -8.778
92 HB3 LEU 30 2HB LEU 30 8.186 13.919 -8.723
93 HG LEU 30 HG LEU 30 10.317 15.304 -7.050
94 HD11 LEU 30 1HD1 LEU 30 8.843 14.624 -5.136
95 HD12 LEU 30 2HD1 LEU 30 7.974 15.673 -6.281
96 HD13 LEU 30 3HD1 LEU 30 7.692 13.916 -6.294
97 HD21 LEU 30 3HD2 LEU 30 11.070 13.090 -7.689
98 HD22 LEU 30 1HD2 LEU 30 10.648 13.111 -5.960
99 HD23 LEU 30 2HD2 LEU 30 9.535 12.376 -7.139
100 HA PRO 31 HA PRO 31 9.041 13.411 -13.692
101 HB2 PRO 31 1HB PRO 31 8.293 10.654 -12.668
102 HB3 PRO 31 2HB PRO 31 9.192 11.082 -14.131
103 HG2 PRO 31 1HG PRO 31 10.499 10.048 -12.047
104 HG3 PRO 31 2HG PRO 31 11.230 11.374 -12.960
105 HD2 PRO 31 1HD PRO 31 9.797 11.483 -10.270
106 HD3 PRO 31 2HD PRO 31 11.278 12.308 -10.769
107 H HIS 32 H HIS 32 7.170 13.881 -14.494
108 HA HIS 32 HA HIS 32 4.858 14.021 -12.664
109 HB2 HIS 32 1HB HIS 32 5.394 14.980 -15.497
110 HB3 HIS 32 2HB HIS 32 3.759 14.998 -14.793
111 HD1 HIS 32 HD1 HIS 32 3.502 16.465 -12.549
112 HD2 HIS 32 HD2 HIS 32 6.994 17.212 -14.787
113 HE1 HIS 32 HE1 HIS 32 4.297 18.666 -11.844
114 H ASP 33 H ASP 33 2.639 11.662 -14.012
115 HA ASP 33 HA ASP 33 3.094 14.414 -12.966
116 HB2 ASP 33 1HB ASP 33 0.653 14.550 -12.772
117 HB3 ASP 33 2HB ASP 33 1.200 13.839 -14.310
118 H TYR 34 H TYR 34 1.884 14.843 -10.836
119 HA TYR 34 HA TYR 34 1.675 12.640 -8.954
120 HB2 TYR 34 1HB TYR 34 3.391 13.403 -7.401
121 HB3 TYR 34 2HB TYR 34 4.081 12.825 -8.937
122 HD1 TYR 34 HD1 TYR 34 3.305 15.867 -6.950
123 HD2 TYR 34 HD2 TYR 34 5.376 14.278 -10.322
124 HE1 TYR 34 HE1 TYR 34 4.522 18.009 -7.203
125 HE2 TYR 34 HE2 TYR 34 6.599 16.409 -10.589
126 HH TYR 34 HH TYR 34 7.093 18.444 -9.601
127 H CYS 35 H CYS 35 1.372 13.520 -6.665
128 HA CYS 35 HA CYS 35 -0.494 15.900 -6.887
129 HB2 CYS 35 1HB CYS 35 -0.453 13.363 -5.193
130 HB3 CYS 35 2HB CYS 35 -1.699 14.633 -5.128
131 HG CYS 35 HG CYS 35 -2.626 12.530 -6.206
132 H THR 36 H THR 36 -0.472 17.419 -5.266
133 HA THR 36 HA THR 36 1.334 17.067 -2.944
134 HB THR 36 HB THR 36 2.769 18.114 -4.714
135 HG1 THR 36 HG1 THR 36 3.372 19.896 -3.344
136 HG21 THR 36 3HG2 THR 36 0.732 20.367 -4.514
137 HG22 THR 36 1HG2 THR 36 2.271 20.433 -5.402
138 HG23 THR 36 2HG2 THR 36 0.987 19.320 -5.929
139 H TPO 37 H TPO 37 0.852 18.285 -1.187
140 HA TPO 37 HA TPO 37 -1.674 19.891 -1.410
141 HB TPO 37 HB TPO 37 -2.197 19.311 0.846
142 HG21 TPO 37 1HG2 TPO 37 -2.256 16.842 0.811
143 HG22 TPO 37 2HG2 TPO 37 -2.672 17.514 -0.784
144 HG23 TPO 37 3HG2 TPO 37 -1.054 16.832 -0.501
145 HA PRO 38 HA PRO 38 0.167 23.583 -0.237
146 HB2 PRO 38 1HB PRO 38 -1.780 23.749 2.102
147 HB3 PRO 38 2HB PRO 38 -1.498 24.930 0.816
148 HG2 PRO 38 1HG PRO 38 -3.698 23.426 0.748
149 HG3 PRO 38 2HG PRO 38 -2.817 23.740 -0.753
150 HD2 PRO 38 1HD PRO 38 -2.840 21.218 0.947
151 HD3 PRO 38 2HD PRO 38 -2.811 21.368 -0.814
152 H GLY 39 H GLY 39 -0.307 21.218 2.308
153 HA2 GLY 39 1HA GLY 39 1.385 22.464 4.252
154 HA3 GLY 39 2HA GLY 39 0.967 20.736 4.176
155 H GLY 40 H GLY 40 2.029 20.564 1.384
156 HA2 GLY 40 1HA GLY 40 4.196 20.939 0.308
157 HA3 GLY 40 2HA GLY 40 4.948 20.928 1.920
158 H THR 41 H THR 41 2.491 18.620 1.690
159 HA THR 41 HA THR 41 4.458 16.419 1.515
160 HB THR 41 HB THR 41 1.440 16.389 1.942
161 HG1 THR 41 HG1 THR 41 2.157 17.037 3.851
162 HG21 THR 41 3HG2 THR 41 3.517 14.178 2.196
163 HG22 THR 41 1HG2 THR 41 1.793 14.040 2.617
164 HG23 THR 41 2HG2 THR 41 2.279 14.300 0.924
165 H LEU 42 H LEU 42 4.926 15.264 -0.173
166 HA LEU 42 HA LEU 42 3.131 15.503 -2.564
167 HB2 LEU 42 1HB LEU 42 5.986 15.528 -2.103
168 HB3 LEU 42 2HB LEU 42 5.543 14.733 -3.631
169 HG LEU 42 HG LEU 42 4.127 16.980 -3.936
170 HD11 LEU 42 1HD1 LEU 42 5.451 18.936 -3.090
171 HD12 LEU 42 2HD1 LEU 42 4.845 17.937 -1.748
172 HD13 LEU 42 3HD1 LEU 42 6.547 17.811 -2.252
173 HD21 LEU 42 3HD2 LEU 42 5.765 16.126 -5.505
174 HD22 LEU 42 1HD2 LEU 42 5.994 17.877 -5.283
175 HD23 LEU 42 2HD2 LEU 42 7.097 16.726 -4.489
176 H PHE 43 H PHE 43 2.620 13.745 -3.754
177 HA PHE 43 HA PHE 43 3.756 11.116 -3.162
178 HB2 PHE 43 1HB PHE 43 1.613 10.105 -2.406
179 HB3 PHE 43 2HB PHE 43 2.209 11.314 -1.247
180 HD1 PHE 43 HD2 PHE 43 1.122 13.496 -1.063
181 HD2 PHE 43 HD1 PHE 43 -0.428 10.392 -3.556
182 HE1 PHE 43 HE2 PHE 43 -1.060 14.656 -1.146
183 HE2 PHE 43 HE1 PHE 43 -2.610 11.550 -3.643
184 HZ PHE 43 HZ PHE 43 -2.925 13.682 -2.438
185 H SER 44 H SER 44 3.108 9.492 -4.576
186 HA SER 44 HA SER 44 1.110 10.163 -6.717
187 HB2 SER 44 1HB SER 44 3.095 11.135 -7.526
188 HB3 SER 44 2HB SER 44 3.933 9.573 -7.375
189 HG SER 44 HG SER 44 2.668 10.357 -9.438
190 H THR 45 H THR 45 -0.046 8.400 -7.167
191 HA THR 45 HA THR 45 1.020 5.734 -6.325
192 HB THR 45 HB THR 45 -1.818 6.585 -7.043
193 HG1 THR 45 HG1 THR 45 -1.055 7.388 -5.009
194 HG21 THR 45 3HG2 THR 45 -0.724 3.976 -5.920
195 HG22 THR 45 1HG2 THR 45 -2.442 4.361 -6.172
196 HG23 THR 45 2HG2 THR 45 -1.348 4.217 -7.568
197 H TPO 46 H TPO 46 1.684 4.305 -7.706
198 HA TPO 46 HA TPO 46 1.502 4.944 -10.586
199 HB TPO 46 HB TPO 46 3.102 3.175 -10.914
200 HG21 TPO 46 1HG2 TPO 46 4.932 3.848 -9.400
201 HG22 TPO 46 2HG2 TPO 46 4.019 5.265 -9.969
202 HG23 TPO 46 3HG2 TPO 46 3.754 4.638 -8.326
203 HA PRO 47 HA PRO 47 -1.669 2.358 -11.913
204 HB2 PRO 47 1HB PRO 47 0.334 0.900 -13.691
205 HB3 PRO 47 2HB PRO 47 -1.191 1.671 -14.149
206 HG2 PRO 47 1HG PRO 47 1.107 2.887 -14.728
207 HG3 PRO 47 2HG PRO 47 -0.254 3.848 -14.134
208 HD2 PRO 47 1HD PRO 47 2.231 2.935 -12.634
209 HD3 PRO 47 2HD PRO 47 1.369 4.474 -12.521
210 H GLY 48 H GLY 48 1.310 0.793 -10.925
211 HA2 GLY 48 1HA GLY 48 0.249 -1.857 -10.707
212 HA3 GLY 48 2HA GLY 48 1.664 -1.217 -9.838
213 H GLY 49 H GLY 49 0.017 0.992 -8.684
214 HA2 GLY 49 1HA GLY 49 -1.944 1.142 -7.228
215 HA3 GLY 49 2HA GLY 49 -1.731 -0.580 -6.836
216 H THR 50 H THR 50 1.253 0.964 -7.062
217 HA THR 50 HA THR 50 1.519 0.971 -4.102
218 HB THR 50 HB THR 50 3.622 1.337 -6.277
219 HG1 THR 50 HG1 THR 50 3.339 -0.765 -6.413
220 HG21 THR 50 3HG2 THR 50 3.875 0.835 -3.286
221 HG22 THR 50 1HG2 THR 50 5.223 0.918 -4.444
222 HG23 THR 50 2HG2 THR 50 4.239 2.366 -4.117
223 H ARG 51 H ARG 51 1.437 2.682 -2.902
224 HA ARG 51 HA ARG 51 1.417 5.351 -4.204
225 HB2 ARG 51 1HB ARG 51 -0.353 4.799 -2.674
226 HB3 ARG 51 2HB ARG 51 0.843 4.597 -1.372
227 HG2 ARG 51 1HG ARG 51 1.458 6.947 -1.527
228 HG3 ARG 51 2HG ARG 51 0.350 7.170 -2.903
229 HD2 ARG 51 1HD ARG 51 -1.532 6.692 -1.465
230 HD3 ARG 51 2HD ARG 51 -0.426 6.460 -0.091
231 HE ARG 51 HE ARG 51 -0.202 9.192 -1.164
232 HH11 ARG 51 1HH1 ARG 51 -2.208 7.172 0.848
233 HH12 ARG 51 2HH1 ARG 51 -2.743 8.582 1.741
234 HH21 ARG 51 1HH2 ARG 51 -0.811 10.817 -0.158
235 HH22 ARG 51 2HH2 ARG 51 -1.948 10.662 1.168
236 H ILE 52 H ILE 52 3.219 6.367 -4.529
237 HA ILE 52 HA ILE 52 5.506 5.948 -2.648
238 HB ILE 52 HB ILE 52 5.338 7.403 -5.328
239 HG12 ILE 52 1HG1 ILE 52 6.667 4.792 -4.658
240 HG13 ILE 52 2HG1 ILE 52 5.064 4.952 -5.411
241 HG21 ILE 52 1HG2 ILE 52 7.803 7.482 -5.173
242 HG22 ILE 52 2HG2 ILE 52 7.050 8.355 -3.820
243 HG23 ILE 52 3HG2 ILE 52 7.727 6.731 -3.562
244 HD11 ILE 52 3HD1 ILE 52 7.685 5.958 -6.577
245 HD12 ILE 52 1HD1 ILE 52 6.800 4.507 -7.103
246 HD13 ILE 52 2HD1 ILE 52 6.081 6.119 -7.330
247 H ILE 53 H ILE 53 5.790 7.157 -1.010
248 HA ILE 53 HA ILE 53 4.714 9.950 -1.055
249 HB ILE 53 HB ILE 53 5.928 8.358 1.250
250 HG12 ILE 53 1HG1 ILE 53 3.949 7.262 0.509
251 HG13 ILE 53 2HG1 ILE 53 3.677 8.071 2.069
252 HG21 ILE 53 1HG2 ILE 53 4.890 10.114 2.646
253 HG22 ILE 53 2HG2 ILE 53 6.059 10.814 1.501
254 HG23 ILE 53 3HG2 ILE 53 4.313 10.940 1.179
255 HD11 ILE 53 3HD1 ILE 53 2.779 9.097 -0.646
256 HD12 ILE 53 1HD1 ILE 53 1.734 8.339 0.578
257 HD13 ILE 53 2HD1 ILE 53 2.507 9.907 0.914
258 H TYR 54 H TYR 54 5.857 11.664 -1.302
259 HA TYR 54 HA TYR 54 8.789 11.217 -1.699
260 HB2 TYR 54 1HB TYR 54 6.915 13.353 -2.736
261 HB3 TYR 54 2HB TYR 54 8.670 13.291 -3.031
262 HD1 TYR 54 HD2 TYR 54 9.595 11.264 -4.283
263 HD2 TYR 54 HD1 TYR 54 5.430 12.167 -4.138
264 HE1 TYR 54 HE2 TYR 54 9.223 9.819 -6.254
265 HE2 TYR 54 HE1 TYR 54 5.040 10.723 -6.112
266 HH TYR 54 HH TYR 54 7.701 8.979 -7.725
267 H ASP 55 H ASP 55 10.237 12.068 -0.440
268 HA ASP 55 HA ASP 55 9.377 14.222 1.454
269 HB2 ASP 55 1HB ASP 55 10.422 12.077 2.444
270 HB3 ASP 55 2HB ASP 55 11.791 12.524 1.395
271 H ARG 56 H ARG 56 9.634 16.142 0.598
272 HA ARG 56 HA ARG 56 11.831 16.685 -1.279
273 HB2 ARG 56 1HB ARG 56 9.632 17.616 -1.622
274 HB3 ARG 56 2HB ARG 56 9.813 18.555 -0.122
275 HG2 ARG 56 1HG ARG 56 11.697 19.771 -1.075
276 HG3 ARG 56 2HG ARG 56 11.606 18.789 -2.558
277 HD2 ARG 56 1HD ARG 56 9.461 19.723 -3.074
278 HD3 ARG 56 2HD ARG 56 9.477 20.654 -1.559
279 HE ARG 56 HE ARG 56 11.709 21.423 -3.338
280 HH11 ARG 56 1HH1 ARG 56 8.316 21.934 -2.723
281 HH12 ARG 56 2HH1 ARG 56 8.417 23.526 -3.449
282 HH21 ARG 56 1HH2 ARG 56 11.841 23.240 -4.180
283 HH22 ARG 56 2HH2 ARG 56 10.427 24.272 -4.281
284 H LYS 57 H LYS 57 13.801 17.115 -0.725
285 HA LYS 57 HA LYS 57 14.527 17.606 2.037
286 HB2 LYS 57 1HB LYS 57 16.084 17.787 -0.546
287 HB3 LYS 57 2HB LYS 57 16.793 17.982 1.074
288 HG2 LYS 57 1HG LYS 57 16.143 15.686 1.649
289 HG3 LYS 57 2HG LYS 57 15.398 15.487 0.046
290 HD2 LYS 57 1HD LYS 57 17.602 15.876 -1.010
291 HD3 LYS 57 2HD LYS 57 18.336 16.017 0.605
292 HE2 LYS 57 1HE LYS 57 17.620 13.716 1.123
293 HE3 LYS 57 2HE LYS 57 16.913 13.577 -0.503
294 HZ1 LYS 57 3HZ LYS 57 19.768 14.016 0.093
295 HZ2 LYS 57 1HZ LYS 57 19.100 12.590 -0.396
296 HZ3 LYS 57 2HZ LYS 57 19.115 13.887 -1.415
297 H PHE 58 H PHE 58 14.166 19.668 -0.812
298 HA PHE 58 HA PHE 58 14.852 22.030 0.899
299 HB2 PHE 58 1HB PHE 58 14.746 21.725 -2.133
300 HB3 PHE 58 2HB PHE 58 15.103 23.237 -1.267
301 HD1 PHE 58 HD2 PHE 58 17.087 23.125 0.413
302 HD2 PHE 58 HD1 PHE 58 16.463 20.390 -2.810
303 HE1 PHE 58 HE2 PHE 58 19.490 22.545 0.444
304 HE2 PHE 58 HE1 PHE 58 18.865 19.805 -2.780
305 HZ PHE 58 HZ PHE 58 20.378 20.882 -1.152
306 H LEU 59 H LEU 59 12.402 20.797 1.345
307 HA LEU 59 HA LEU 59 10.256 22.007 -0.126
308 HB2 LEU 59 1HB LEU 59 10.057 20.124 1.218
309 HB3 LEU 59 2HB LEU 59 10.353 20.963 2.758
310 HG LEU 59 HG LEU 59 8.313 22.382 2.243
311 HD11 LEU 59 1HD1 LEU 59 6.671 21.404 0.617
312 HD12 LEU 59 2HD1 LEU 59 8.185 21.869 -0.193
313 HD13 LEU 59 3HD1 LEU 59 7.864 20.159 0.185
314 HD21 LEU 59 3HD2 LEU 59 8.255 20.599 3.885
315 HD22 LEU 59 1HD2 LEU 59 6.712 20.658 2.998
316 HD23 LEU 59 2HD2 LEU 59 7.912 19.400 2.614
317 H LEU 60 H LEU 60 9.563 23.976 -0.261
318 HA LEU 60 HA LEU 60 10.575 25.994 1.663
319 HB2 LEU 60 1HB LEU 60 8.947 26.109 -0.791
320 HB3 LEU 60 2HB LEU 60 9.459 27.610 0.016
321 HG LEU 60 HG LEU 60 11.250 25.547 -1.323
322 HD11 LEU 60 1HD1 LEU 60 11.803 27.443 -2.869
323 HD12 LEU 60 2HD1 LEU 60 10.065 27.068 -2.903
324 HD13 LEU 60 3HD1 LEU 60 10.654 28.476 -1.988
325 HD21 LEU 60 3HD2 LEU 60 12.312 26.425 0.672
326 HD22 LEU 60 1HD2 LEU 60 13.115 27.073 -0.779
327 HD23 LEU 60 2HD2 LEU 60 11.986 28.094 0.147
328 H ASP 61 H ASP 61 7.700 24.199 0.969
329 HA ASP 61 HA ASP 61 5.853 25.991 2.313
330 HB2 ASP 61 1HB ASP 61 5.649 22.992 1.649
331 HB3 ASP 61 2HB ASP 61 4.483 24.039 2.495
332 H ARG 62 H ARG 62 5.015 25.969 4.330
333 HA ARG 62 HA ARG 62 6.833 25.118 6.434
334 HB2 ARG 62 1HB ARG 62 5.541 27.145 6.582
335 HB3 ARG 62 2HB ARG 62 4.050 26.177 6.657
336 HG2 ARG 62 1HG ARG 62 4.791 25.161 8.752
337 HG3 ARG 62 2HG ARG 62 6.317 26.075 8.671
338 HD2 ARG 62 1HD ARG 62 5.073 28.147 8.865
339 HD3 ARG 62 2HD ARG 62 3.559 27.218 8.976
340 HE ARG 62 HE ARG 62 5.255 26.410 11.182
341 HH11 ARG 62 1HH1 ARG 62 3.543 29.252 10.110
342 HH12 ARG 62 2HH1 ARG 62 3.328 29.758 11.774
343 HH21 ARG 62 1HH2 ARG 62 5.025 26.979 13.092
344 HH22 ARG 62 2HH2 ARG 62 4.173 28.463 13.477
Start of MODEL 15
1 H2 PRO 18 1H PRO 18 -0.646 -1.528 -1.129
2 H3 PRO 18 2H PRO 18 -0.933 -1.238 0.315
3 HA PRO 18 HA PRO 18 1.377 -1.052 0.892
4 HB2 PRO 18 1HB PRO 18 2.748 -1.414 -1.464
5 HB3 PRO 18 2HB PRO 18 1.890 -2.767 -0.715
6 HG2 PRO 18 1HG PRO 18 1.004 -0.976 -3.000
7 HG3 PRO 18 2HG PRO 18 0.896 -2.735 -2.862
8 HD2 PRO 18 1HD PRO 18 -1.257 -1.106 -2.331
9 HD3 PRO 18 2HD PRO 18 -1.027 -2.642 -1.486
10 H THR 19 H THR 19 2.710 0.496 1.343
11 HA THR 19 HA THR 19 2.778 2.871 -0.481
12 HB THR 19 HB THR 19 2.751 4.372 1.442
13 HG1 THR 19 HG1 THR 19 2.338 3.464 3.543
14 HG21 THR 19 3HG2 THR 19 0.457 2.376 1.579
15 HG22 THR 19 1HG2 THR 19 0.428 4.038 2.211
16 HG23 THR 19 2HG2 THR 19 0.570 3.754 0.460
17 H ARG 20 H ARG 20 4.629 4.179 -0.357
18 HA ARG 20 HA ARG 20 6.872 3.256 1.329
19 HB2 ARG 20 1HB ARG 20 8.443 3.084 -0.447
20 HB3 ARG 20 2HB ARG 20 7.178 1.835 -0.515
21 HG2 ARG 20 1HG ARG 20 6.057 3.058 -2.322
22 HG3 ARG 20 2HG ARG 20 7.309 4.323 -2.248
23 HD2 ARG 20 1HD ARG 20 7.928 1.455 -2.835
24 HD3 ARG 20 2HD ARG 20 7.476 2.630 -4.093
25 HE ARG 20 HE ARG 20 9.776 3.709 -2.733
26 HH11 ARG 20 1HH1 ARG 20 9.026 0.904 -4.664
27 HH12 ARG 20 2HH1 ARG 20 10.674 0.867 -5.259
28 HH21 ARG 20 1HH2 ARG 20 11.669 3.674 -3.400
29 HH22 ARG 20 2HH2 ARG 20 12.182 2.445 -4.539
30 H THR 21 H THR 21 8.774 4.679 1.133
31 HA THR 21 HA THR 21 7.924 7.476 0.457
32 HB THR 21 HB THR 21 9.556 6.587 2.873
33 HG1 THR 21 HG1 THR 21 7.696 7.396 4.008
34 HG21 THR 21 3HG2 THR 21 8.583 9.335 1.995
35 HG22 THR 21 1HG2 THR 21 9.438 8.970 3.512
36 HG23 THR 21 2HG2 THR 21 10.268 8.766 1.950
37 H VAL 22 H VAL 22 9.195 8.570 -0.809
38 HA VAL 22 HA VAL 22 12.063 7.674 -1.087
39 HB VAL 22 HB VAL 22 10.222 8.831 -3.223
40 HG11 VAL 22 1HG1 VAL 22 12.154 8.483 -4.725
41 HG12 VAL 22 2HG1 VAL 22 12.555 9.622 -3.418
42 HG13 VAL 22 3HG1 VAL 22 13.131 7.938 -3.342
43 HG21 VAL 22 3HG2 VAL 22 9.712 6.506 -2.770
44 HG22 VAL 22 1HG2 VAL 22 10.510 6.683 -4.350
45 HG23 VAL 22 2HG2 VAL 22 11.428 6.074 -2.953
46 H ALA 23 H ALA 23 13.558 9.026 -0.632
47 HA ALA 23 HA ALA 23 12.822 11.791 0.040
48 HB1 ALA 23 3HB ALA 23 15.500 10.361 0.113
49 HB2 ALA 23 1HB ALA 23 15.171 11.985 0.758
50 HB3 ALA 23 2HB ALA 23 14.381 10.564 1.482
51 H ILE 24 H ILE 24 13.330 13.615 -1.007
52 HA ILE 24 HA ILE 24 14.909 13.400 -3.544
53 HB ILE 24 HB ILE 24 13.265 14.839 -4.689
54 HG12 ILE 24 1HG1 ILE 24 11.549 14.496 -2.244
55 HG13 ILE 24 2HG1 ILE 24 12.481 15.956 -2.651
56 HG21 ILE 24 1HG2 ILE 24 11.427 13.206 -4.940
57 HG22 ILE 24 2HG2 ILE 24 13.007 12.390 -4.904
58 HG23 ILE 24 3HG2 ILE 24 11.965 12.373 -3.463
59 HD11 ILE 24 3HD1 ILE 24 10.238 14.757 -4.314
60 HD12 ILE 24 1HD1 ILE 24 10.114 16.205 -3.289
61 HD13 ILE 24 2HD1 ILE 24 11.170 16.217 -4.721
62 H SER 25 H SER 25 15.492 15.492 -4.454
63 HA SER 25 HA SER 25 16.215 17.421 -2.230
64 HB2 SER 25 1HB SER 25 18.063 18.046 -3.477
65 HB3 SER 25 2HB SER 25 18.070 16.304 -3.119
66 HG SER 25 HG SER 25 18.670 16.775 -5.281
67 H ASP 26 H ASP 26 14.624 16.963 -5.325
68 HA ASP 26 HA ASP 26 13.759 19.792 -5.340
69 HB2 ASP 26 1HB ASP 26 15.998 19.651 -6.689
70 HB3 ASP 26 2HB ASP 26 15.041 18.508 -7.662
71 H ALA 27 H ALA 27 11.665 19.478 -5.272
72 HA ALA 27 HA ALA 27 10.358 17.224 -6.488
73 HB1 ALA 27 3HB ALA 27 9.214 19.870 -5.528
74 HB2 ALA 27 1HB ALA 27 8.275 18.411 -5.917
75 HB3 ALA 27 2HB ALA 27 9.414 18.397 -4.550
76 H ALA 28 H ALA 28 11.372 20.296 -7.692
77 HA ALA 28 HA ALA 28 9.449 20.569 -9.805
78 HB1 ALA 28 3HB ALA 28 12.295 21.612 -9.608
79 HB2 ALA 28 1HB ALA 28 11.068 22.156 -10.775
80 HB3 ALA 28 2HB ALA 28 10.831 22.444 -9.034
81 H GLN 29 H GLN 29 12.186 18.514 -9.393
82 HA GLN 29 HA GLN 29 12.534 18.060 -12.290
83 HB2 GLN 29 1HB GLN 29 13.749 16.749 -9.848
84 HB3 GLN 29 2HB GLN 29 14.178 16.370 -11.532
85 HG2 GLN 29 1HG GLN 29 15.038 18.948 -11.687
86 HG3 GLN 29 2HG GLN 29 14.415 18.822 -10.025
87 HE21 GLN 29 2HE2 GLN 29 16.942 19.704 -10.340
88 HE22 GLN 29 1HE2 GLN 29 18.087 18.491 -9.871
89 H LEU 30 H LEU 30 10.356 17.050 -9.998
90 HA LEU 30 HA LEU 30 10.073 14.307 -11.078
91 HB2 LEU 30 1HB LEU 30 8.575 15.941 -9.136
92 HB3 LEU 30 2HB LEU 30 8.116 14.245 -9.410
93 HG LEU 30 HG LEU 30 10.735 15.260 -8.238
94 HD11 LEU 30 1HD1 LEU 30 9.955 14.064 -6.174
95 HD12 LEU 30 2HD1 LEU 30 8.810 15.337 -6.656
96 HD13 LEU 30 3HD1 LEU 30 8.448 13.631 -7.013
97 HD21 LEU 30 3HD2 LEU 30 11.112 13.309 -9.628
98 HD22 LEU 30 1HD2 LEU 30 11.296 12.876 -7.911
99 HD23 LEU 30 2HD2 LEU 30 9.814 12.425 -8.789
100 HA PRO 31 HA PRO 31 7.017 15.030 -14.162
101 HB2 PRO 31 1HB PRO 31 5.463 12.848 -12.714
102 HB3 PRO 31 2HB PRO 31 5.877 12.954 -14.431
103 HG2 PRO 31 1HG PRO 31 7.212 11.257 -12.860
104 HG3 PRO 31 2HG PRO 31 8.088 12.181 -14.088
105 HD2 PRO 31 1HD PRO 31 7.959 12.652 -11.085
106 HD3 PRO 31 2HD PRO 31 9.335 12.839 -12.181
107 H HIS 32 H HIS 32 5.121 16.051 -14.465
108 HA HIS 32 HA HIS 32 4.350 17.570 -12.032
109 HB2 HIS 32 1HB HIS 32 3.836 18.076 -14.998
110 HB3 HIS 32 2HB HIS 32 3.313 19.145 -13.675
111 HD1 HIS 32 HD1 HIS 32 5.558 19.770 -12.026
112 HD2 HIS 32 HD2 HIS 32 6.232 18.990 -16.113
113 HE1 HIS 32 HE1 HIS 32 7.664 20.876 -12.586
114 H ASP 33 H ASP 33 3.257 14.880 -13.616
115 HA ASP 33 HA ASP 33 0.392 15.384 -13.084
116 HB2 ASP 33 1HB ASP 33 0.048 13.116 -13.972
117 HB3 ASP 33 2HB ASP 33 1.212 14.086 -14.908
118 H TYR 34 H TYR 34 2.960 14.943 -11.127
119 HA TYR 34 HA TYR 34 1.826 13.117 -9.175
120 HB2 TYR 34 1HB TYR 34 3.897 15.306 -9.059
121 HB3 TYR 34 2HB TYR 34 3.386 14.388 -7.622
122 HD1 TYR 34 HD1 TYR 34 3.255 12.389 -10.562
123 HD2 TYR 34 HD2 TYR 34 5.956 13.881 -7.617
124 HE1 TYR 34 HE1 TYR 34 4.861 10.594 -11.138
125 HE2 TYR 34 HE2 TYR 34 7.570 12.095 -8.178
126 HH TYR 34 HH TYR 34 7.536 9.779 -9.238
127 H CYS 35 H CYS 35 1.028 13.658 -7.084
128 HA CYS 35 HA CYS 35 -0.718 16.130 -7.092
129 HB2 CYS 35 1HB CYS 35 -0.780 13.440 -5.652
130 HB3 CYS 35 2HB CYS 35 -2.008 14.723 -5.510
131 HG CYS 35 HG CYS 35 -2.929 12.751 -6.816
132 H THR 36 H THR 36 -0.912 17.304 -5.138
133 HA THR 36 HA THR 36 1.314 16.941 -3.174
134 HB THR 36 HB THR 36 0.533 19.593 -4.459
135 HG1 THR 36 HG1 THR 36 2.689 19.441 -5.318
136 HG21 THR 36 3HG2 THR 36 2.700 18.874 -2.444
137 HG22 THR 36 1HG2 THR 36 2.445 20.479 -3.170
138 HG23 THR 36 2HG2 THR 36 1.211 19.784 -2.090
139 H TPO 37 H TPO 37 0.805 17.192 -1.133
140 HA TPO 37 HA TPO 37 -2.018 17.770 -0.478
141 HB TPO 37 HB TPO 37 -1.487 17.033 1.748
142 HG21 TPO 37 1HG2 TPO 37 -0.506 14.802 1.344
143 HG22 TPO 37 2HG2 TPO 37 -1.667 15.233 0.065
144 HG23 TPO 37 3HG2 TPO 37 0.081 15.348 -0.244
145 HA PRO 38 HA PRO 38 -1.849 21.881 0.821
146 HB2 PRO 38 1HB PRO 38 -2.718 20.966 3.597
147 HB3 PRO 38 2HB PRO 38 -3.462 22.187 2.556
148 HG2 PRO 38 1HG PRO 38 -4.622 19.801 2.796
149 HG3 PRO 38 2HG PRO 38 -4.548 20.570 1.204
150 HD2 PRO 38 1HD PRO 38 -2.852 18.293 2.298
151 HD3 PRO 38 2HD PRO 38 -3.495 18.514 0.665
152 H GLY 39 H GLY 39 -0.303 19.510 2.899
153 HA2 GLY 39 1HA GLY 39 1.246 21.415 4.404
154 HA3 GLY 39 2HA GLY 39 1.585 19.677 4.229
155 H GLY 40 H GLY 40 1.574 19.960 1.241
156 HA2 GLY 40 1HA GLY 40 2.880 21.101 -0.439
157 HA3 GLY 40 2HA GLY 40 4.009 21.630 0.829
158 H THR 41 H THR 41 2.723 18.358 0.590
159 HA THR 41 HA THR 41 5.461 17.403 -0.187
160 HB THR 41 HB THR 41 3.329 15.963 1.449
161 HG1 THR 41 HG1 THR 41 4.264 16.960 3.059
162 HG21 THR 41 3HG2 THR 41 6.181 15.187 0.719
163 HG22 THR 41 1HG2 THR 41 5.095 14.271 1.790
164 HG23 THR 41 2HG2 THR 41 4.703 14.446 0.063
165 H LEU 42 H LEU 42 5.725 16.294 -1.956
166 HA LEU 42 HA LEU 42 3.397 15.833 -3.688
167 HB2 LEU 42 1HB LEU 42 6.282 15.747 -3.795
168 HB3 LEU 42 2HB LEU 42 5.526 14.724 -5.038
169 HG LEU 42 HG LEU 42 4.162 16.863 -5.626
170 HD11 LEU 42 1HD1 LEU 42 5.427 18.985 -5.183
171 HD12 LEU 42 2HD1 LEU 42 4.931 18.201 -3.666
172 HD13 LEU 42 3HD1 LEU 42 6.613 18.062 -4.231
173 HD21 LEU 42 3HD2 LEU 42 5.767 15.825 -7.116
174 HD22 LEU 42 1HD2 LEU 42 5.922 17.596 -7.198
175 HD23 LEU 42 2HD2 LEU 42 7.113 16.640 -6.284
176 H PHE 43 H PHE 43 2.635 13.926 -4.485
177 HA PHE 43 HA PHE 43 3.916 11.396 -3.694
178 HB2 PHE 43 1HB PHE 43 1.937 10.460 -2.607
179 HB3 PHE 43 2HB PHE 43 2.429 11.931 -1.738
180 HD1 PHE 43 HD2 PHE 43 1.139 14.004 -1.987
181 HD2 PHE 43 HD1 PHE 43 -0.151 10.300 -3.680
182 HE1 PHE 43 HE2 PHE 43 -1.149 14.909 -2.218
183 HE2 PHE 43 HE1 PHE 43 -2.441 11.203 -3.916
184 HZ PHE 43 HZ PHE 43 -2.939 13.508 -3.185
185 H SER 44 H SER 44 3.167 9.582 -4.815
186 HA SER 44 HA SER 44 1.240 10.080 -7.086
187 HB2 SER 44 1HB SER 44 2.607 9.386 -8.721
188 HB3 SER 44 2HB SER 44 3.480 10.648 -7.822
189 HG SER 44 HG SER 44 3.842 7.857 -7.471
190 H THR 45 H THR 45 0.958 7.953 -8.302
191 HA THR 45 HA THR 45 1.370 5.546 -6.595
192 HB THR 45 HB THR 45 -1.302 6.269 -7.870
193 HG1 THR 45 HG1 THR 45 -1.199 7.447 -6.021
194 HG21 THR 45 3HG2 THR 45 -0.453 3.936 -6.109
195 HG22 THR 45 1HG2 THR 45 -2.103 4.249 -6.696
196 HG23 THR 45 2HG2 THR 45 -0.807 3.848 -7.849
197 H TPO 46 H TPO 46 2.049 3.847 -7.642
198 HA TPO 46 HA TPO 46 2.391 4.105 -10.573
199 HB TPO 46 HB TPO 46 3.928 2.274 -10.408
200 HG21 TPO 46 1HG2 TPO 46 5.506 3.037 -8.667
201 HG22 TPO 46 2HG2 TPO 46 4.789 4.418 -9.531
202 HG23 TPO 46 3HG2 TPO 46 4.207 3.986 -7.906
203 HA PRO 47 HA PRO 47 -0.704 1.517 -12.042
204 HB2 PRO 47 1HB PRO 47 1.439 -0.255 -13.293
205 HB3 PRO 47 2HB PRO 47 0.054 0.519 -14.074
206 HG2 PRO 47 1HG PRO 47 2.488 1.540 -14.432
207 HG3 PRO 47 2HG PRO 47 1.121 2.633 -14.181
208 HD2 PRO 47 1HD PRO 47 3.288 1.813 -12.211
209 HD3 PRO 47 2HD PRO 47 2.519 3.391 -12.422
210 H GLY 48 H GLY 48 1.990 -0.070 -10.445
211 HA2 GLY 48 1HA GLY 48 0.715 -2.607 -10.079
212 HA3 GLY 48 2HA GLY 48 2.045 -1.950 -9.100
213 H GLY 49 H GLY 49 0.430 0.477 -8.446
214 HA2 GLY 49 1HA GLY 49 -1.657 0.944 -7.279
215 HA3 GLY 49 2HA GLY 49 -1.675 -0.742 -6.711
216 H THR 50 H THR 50 1.421 0.698 -6.692
217 HA THR 50 HA THR 50 1.322 0.915 -3.722
218 HB THR 50 HB THR 50 3.689 0.975 -5.641
219 HG1 THR 50 HG1 THR 50 3.279 -1.115 -5.591
220 HG21 THR 50 3HG2 THR 50 3.564 0.804 -2.603
221 HG22 THR 50 1HG2 THR 50 5.040 0.706 -3.591
222 HG23 THR 50 2HG2 THR 50 4.100 2.216 -3.543
223 H ARG 51 H ARG 51 1.342 2.718 -2.639
224 HA ARG 51 HA ARG 51 1.436 5.266 -4.149
225 HB2 ARG 51 1HB ARG 51 0.802 4.706 -1.287
226 HB3 ARG 51 2HB ARG 51 0.809 6.305 -2.064
227 HG2 ARG 51 1HG ARG 51 -0.982 5.590 -3.577
228 HG3 ARG 51 2HG ARG 51 -0.980 3.976 -2.825
229 HD2 ARG 51 1HD ARG 51 -1.631 5.011 -0.706
230 HD3 ARG 51 2HD ARG 51 -1.730 6.580 -1.538
231 HE ARG 51 HE ARG 51 -3.573 4.806 -2.870
232 HH11 ARG 51 1HH1 ARG 51 -3.194 6.204 0.302
233 HH12 ARG 51 2HH1 ARG 51 -4.933 6.190 0.522
234 HH21 ARG 51 1HH2 ARG 51 -5.566 4.777 -2.630
235 HH22 ARG 51 2HH2 ARG 51 -6.286 5.376 -1.149
236 H ILE 52 H ILE 52 2.940 6.783 -4.056
237 HA ILE 52 HA ILE 52 5.335 6.241 -2.318
238 HB ILE 52 HB ILE 52 5.292 7.392 -5.146
239 HG12 ILE 52 1HG1 ILE 52 6.405 4.775 -4.172
240 HG13 ILE 52 2HG1 ILE 52 4.857 4.980 -5.025
241 HG21 ILE 52 1HG2 ILE 52 7.754 7.330 -4.940
242 HG22 ILE 52 2HG2 ILE 52 7.034 8.382 -3.700
243 HG23 ILE 52 3HG2 ILE 52 7.599 6.752 -3.264
244 HD11 ILE 52 3HD1 ILE 52 7.603 5.664 -6.132
245 HD12 ILE 52 1HD1 ILE 52 6.631 4.239 -6.565
246 HD13 ILE 52 2HD1 ILE 52 6.055 5.870 -6.986
247 H ILE 53 H ILE 53 5.593 7.630 -0.821
248 HA ILE 53 HA ILE 53 4.702 10.451 -1.274
249 HB ILE 53 HB ILE 53 5.683 9.018 1.238
250 HG12 ILE 53 1HG1 ILE 53 2.930 10.020 0.568
251 HG13 ILE 53 2HG1 ILE 53 3.470 8.336 0.369
252 HG21 ILE 53 1HG2 ILE 53 4.984 11.077 2.412
253 HG22 ILE 53 2HG2 ILE 53 6.266 11.420 1.227
254 HG23 ILE 53 3HG2 ILE 53 4.575 11.828 0.851
255 HD11 ILE 53 3HD1 ILE 53 3.380 9.878 2.986
256 HD12 ILE 53 1HD1 ILE 53 2.223 8.628 2.474
257 HD13 ILE 53 2HD1 ILE 53 3.921 8.194 2.788
258 H TYR 54 H TYR 54 5.955 12.045 -1.710
259 HA TYR 54 HA TYR 54 8.873 11.407 -1.901
260 HB2 TYR 54 1HB TYR 54 7.174 13.491 -3.286
261 HB3 TYR 54 2HB TYR 54 8.931 13.291 -3.487
262 HD1 TYR 54 HD2 TYR 54 9.815 11.237 -4.595
263 HD2 TYR 54 HD1 TYR 54 5.633 12.060 -4.436
264 HE1 TYR 54 HE2 TYR 54 9.432 9.578 -6.385
265 HE2 TYR 54 HE1 TYR 54 5.232 10.400 -6.232
266 HH TYR 54 HH TYR 54 6.168 8.712 -7.487
267 H ASP 55 H ASP 55 9.974 12.020 -0.207
268 HA ASP 55 HA ASP 55 9.125 14.486 1.242
269 HB2 ASP 55 1HB ASP 55 9.464 12.348 2.599
270 HB3 ASP 55 2HB ASP 55 11.084 12.361 1.858
271 H ARG 56 H ARG 56 9.934 16.272 0.460
272 HA ARG 56 HA ARG 56 12.628 16.323 -0.735
273 HB2 ARG 56 1HB ARG 56 10.748 17.570 -1.675
274 HB3 ARG 56 2HB ARG 56 10.777 18.608 -0.230
275 HG2 ARG 56 1HG ARG 56 13.015 19.367 -0.764
276 HG3 ARG 56 2HG ARG 56 13.106 18.238 -2.137
277 HD2 ARG 56 1HD ARG 56 11.251 19.458 -3.188
278 HD3 ARG 56 2HD ARG 56 11.328 20.637 -1.858
279 HE ARG 56 HE ARG 56 13.899 20.485 -3.292
280 HH11 ARG 56 1HH1 ARG 56 10.699 21.858 -3.470
281 HH12 ARG 56 2HH1 ARG 56 11.317 23.188 -4.431
282 HH21 ARG 56 1HH2 ARG 56 14.620 21.995 -4.399
283 HH22 ARG 56 2HH2 ARG 56 13.553 23.266 -4.962
284 H LYS 57 H LYS 57 14.423 16.566 0.306
285 HA LYS 57 HA LYS 57 14.469 17.168 3.145
286 HB2 LYS 57 1HB LYS 57 16.629 16.944 1.047
287 HB3 LYS 57 2HB LYS 57 16.945 17.236 2.774
288 HG2 LYS 57 1HG LYS 57 15.860 15.090 3.330
289 HG3 LYS 57 2HG LYS 57 15.569 14.796 1.598
290 HD2 LYS 57 1HD LYS 57 17.988 14.815 1.177
291 HD3 LYS 57 2HD LYS 57 18.291 15.137 2.901
292 HE2 LYS 57 1HE LYS 57 17.227 13.003 3.491
293 HE3 LYS 57 2HE LYS 57 16.918 12.679 1.770
294 HZ1 LYS 57 3HZ LYS 57 19.580 12.971 3.009
295 HZ2 LYS 57 1HZ LYS 57 18.887 11.547 2.549
296 HZ3 LYS 57 2HZ LYS 57 19.294 12.671 1.412
297 H PHE 58 H PHE 58 14.859 19.062 0.226
298 HA PHE 58 HA PHE 58 16.024 21.391 1.450
299 HB2 PHE 58 1HB PHE 58 15.970 21.083 -1.000
300 HB3 PHE 58 2HB PHE 58 14.193 21.161 -0.980
301 HD1 PHE 58 HD1 PHE 58 17.260 23.114 -0.230
302 HD2 PHE 58 HD2 PHE 58 13.085 23.180 -1.136
303 HE1 PHE 58 HE1 PHE 58 17.364 25.566 -0.525
304 HE2 PHE 58 HE2 PHE 58 13.186 25.632 -1.433
305 HZ PHE 58 HZ PHE 58 15.327 26.825 -1.126
306 H LEU 59 H LEU 59 12.645 20.399 0.951
307 HA LEU 59 HA LEU 59 11.749 22.804 2.452
308 HB2 LEU 59 1HB LEU 59 10.392 20.594 1.055
309 HB3 LEU 59 2HB LEU 59 9.426 21.882 1.812
310 HG LEU 59 HG LEU 59 11.362 22.178 -0.518
311 HD11 LEU 59 1HD1 LEU 59 9.296 22.816 -1.790
312 HD12 LEU 59 2HD1 LEU 59 9.164 21.170 -1.128
313 HD13 LEU 59 3HD1 LEU 59 8.324 22.520 -0.329
314 HD21 LEU 59 3HD2 LEU 59 11.470 24.116 0.934
315 HD22 LEU 59 1HD2 LEU 59 10.639 24.539 -0.582
316 HD23 LEU 59 2HD2 LEU 59 9.697 24.273 0.905
317 H LEU 60 H LEU 60 12.836 19.784 3.194
318 HA LEU 60 HA LEU 60 12.641 18.449 5.085
319 HB2 LEU 60 1HB LEU 60 11.634 21.028 6.097
320 HB3 LEU 60 2HB LEU 60 12.087 19.736 7.232
321 HG LEU 60 HG LEU 60 13.942 21.225 5.334
322 HD11 LEU 60 1HD1 LEU 60 14.993 22.062 7.453
323 HD12 LEU 60 2HD1 LEU 60 13.282 22.538 7.347
324 HD13 LEU 60 3HD1 LEU 60 13.766 21.181 8.391
325 HD21 LEU 60 3HD2 LEU 60 14.596 18.899 5.537
326 HD22 LEU 60 1HD2 LEU 60 15.760 19.934 6.400
327 HD23 LEU 60 2HD2 LEU 60 14.543 19.009 7.313
328 H ASP 61 H ASP 61 10.608 18.041 3.361
329 HA ASP 61 HA ASP 61 7.973 18.410 4.342
330 HB2 ASP 61 1HB ASP 61 9.089 16.105 2.632
331 HB3 ASP 61 2HB ASP 61 7.412 16.464 3.111
332 H ARG 62 H ARG 62 6.697 17.486 5.771
333 HA ARG 62 HA ARG 62 7.986 15.608 7.674
334 HB2 ARG 62 1HB ARG 62 5.415 17.114 7.838
335 HB3 ARG 62 2HB ARG 62 6.041 15.984 9.061
336 HG2 ARG 62 1HG ARG 62 7.977 17.412 9.436
337 HG3 ARG 62 2HG ARG 62 7.438 18.518 8.148
338 HD2 ARG 62 1HD ARG 62 5.463 19.052 9.452
339 HD3 ARG 62 2HD ARG 62 6.036 17.971 10.744
340 HE ARG 62 HE ARG 62 8.063 19.980 10.421
341 HH11 ARG 62 1HH1 ARG 62 4.684 19.913 11.281
342 HH12 ARG 62 2HH1 ARG 62 4.908 21.327 12.293
343 HH21 ARG 62 1HH2 ARG 62 8.333 21.604 11.568
344 HH22 ARG 62 2HH2 ARG 62 6.988 22.293 12.456
Start of MODEL 16
1 H2 PRO 18 1H PRO 18 -0.500 -0.433 -0.750
2 H3 PRO 18 2H PRO 18 -0.500 -0.433 0.750
3 HA PRO 18 HA PRO 18 1.884 -0.469 0.899
4 HB2 PRO 18 1HB PRO 18 2.136 -0.079 -2.080
5 HB3 PRO 18 2HB PRO 18 2.674 -1.450 -1.100
6 HG2 PRO 18 1HG PRO 18 0.551 -1.706 -2.719
7 HG3 PRO 18 2HG PRO 18 0.555 -2.485 -1.132
8 HD2 PRO 18 1HD PRO 18 -0.810 0.118 -1.966
9 HD3 PRO 18 2HD PRO 18 -1.458 -1.203 -0.985
10 H THR 19 H THR 19 3.225 0.962 1.550
11 HA THR 19 HA THR 19 3.143 3.666 0.247
12 HB THR 19 HB THR 19 3.670 3.001 3.174
13 HG1 THR 19 HG1 THR 19 1.685 4.182 3.446
14 HG21 THR 19 3HG2 THR 19 3.522 5.667 1.712
15 HG22 THR 19 1HG2 THR 19 3.719 5.453 3.467
16 HG23 THR 19 2HG2 THR 19 5.001 4.915 2.355
17 H ARG 20 H ARG 20 4.900 4.327 -0.675
18 HA ARG 20 HA ARG 20 7.494 3.071 0.166
19 HB2 ARG 20 1HB ARG 20 6.884 2.471 -2.059
20 HB3 ARG 20 2HB ARG 20 6.741 4.189 -2.498
21 HG2 ARG 20 1HG ARG 20 9.128 4.514 -2.077
22 HG3 ARG 20 2HG ARG 20 9.285 2.810 -1.583
23 HD2 ARG 20 1HD ARG 20 8.693 2.109 -3.818
24 HD3 ARG 20 2HD ARG 20 8.532 3.810 -4.312
25 HE ARG 20 HE ARG 20 11.265 3.344 -3.407
26 HH11 ARG 20 1HH1 ARG 20 9.157 2.538 -6.066
27 HH12 ARG 20 2HH1 ARG 20 10.538 2.441 -7.140
28 HH21 ARG 20 1HH2 ARG 20 12.858 3.228 -4.623
29 HH22 ARG 20 2HH2 ARG 20 12.650 2.834 -6.318
30 H THR 21 H THR 21 9.024 4.260 0.987
31 HA THR 21 HA THR 21 8.599 7.214 1.063
32 HB THR 21 HB THR 21 10.474 5.436 2.679
33 HG1 THR 21 HG1 THR 21 8.974 5.981 4.371
34 HG21 THR 21 3HG2 THR 21 9.800 8.394 2.930
35 HG22 THR 21 1HG2 THR 21 10.830 7.464 4.043
36 HG23 THR 21 2HG2 THR 21 11.348 7.726 2.360
37 H VAL 22 H VAL 22 9.511 8.362 -0.433
38 HA VAL 22 HA VAL 22 12.364 7.715 -1.168
39 HB VAL 22 HB VAL 22 10.190 8.886 -2.954
40 HG11 VAL 22 1HG1 VAL 22 11.936 8.811 -4.703
41 HG12 VAL 22 2HG1 VAL 22 12.422 9.869 -3.357
42 HG13 VAL 22 3HG1 VAL 22 13.115 8.236 -3.501
43 HG21 VAL 22 3HG2 VAL 22 9.898 6.500 -2.653
44 HG22 VAL 22 1HG2 VAL 22 10.477 6.864 -4.295
45 HG23 VAL 22 2HG2 VAL 22 11.604 6.219 -3.078
46 H ALA 23 H ALA 23 13.801 9.150 -0.778
47 HA ALA 23 HA ALA 23 12.890 11.857 0.028
48 HB1 ALA 23 3HB ALA 23 15.618 10.532 0.215
49 HB2 ALA 23 1HB ALA 23 15.197 12.141 0.847
50 HB3 ALA 23 2HB ALA 23 14.434 10.688 1.535
51 H ILE 24 H ILE 24 13.268 13.672 -1.051
52 HA ILE 24 HA ILE 24 15.035 13.552 -3.472
53 HB ILE 24 HB ILE 24 13.388 14.918 -4.708
54 HG12 ILE 24 1HG1 ILE 24 11.532 14.441 -2.393
55 HG13 ILE 24 2HG1 ILE 24 12.423 15.952 -2.691
56 HG21 ILE 24 1HG2 ILE 24 11.665 13.186 -5.084
57 HG22 ILE 24 2HG2 ILE 24 13.285 12.461 -4.958
58 HG23 ILE 24 3HG2 ILE 24 12.160 12.368 -3.583
59 HD11 ILE 24 3HD1 ILE 24 10.366 14.703 -4.547
60 HD12 ILE 24 1HD1 ILE 24 10.101 16.114 -3.498
61 HD13 ILE 24 2HD1 ILE 24 11.258 16.213 -4.847
62 H SER 25 H SER 25 15.510 15.700 -4.365
63 HA SER 25 HA SER 25 16.192 17.563 -2.082
64 HB2 SER 25 1HB SER 25 17.916 18.373 -3.386
65 HB3 SER 25 2HB SER 25 18.036 16.610 -3.183
66 HG SER 25 HG SER 25 18.459 17.289 -5.329
67 H ASP 26 H ASP 26 14.517 17.239 -5.171
68 HA ASP 26 HA ASP 26 13.356 19.932 -4.888
69 HB2 ASP 26 1HB ASP 26 15.620 20.262 -6.146
70 HB3 ASP 26 2HB ASP 26 14.860 19.131 -7.294
71 H ALA 27 H ALA 27 11.304 19.553 -5.091
72 HA ALA 27 HA ALA 27 10.243 17.277 -6.478
73 HB1 ALA 27 3HB ALA 27 8.869 19.837 -5.592
74 HB2 ALA 27 1HB ALA 27 8.053 18.338 -6.090
75 HB3 ALA 27 2HB ALA 27 9.057 18.358 -4.622
76 H ALA 28 H ALA 28 11.164 20.444 -7.523
77 HA ALA 28 HA ALA 28 9.491 20.590 -9.855
78 HB1 ALA 28 3HB ALA 28 12.188 21.870 -9.298
79 HB2 ALA 28 1HB ALA 28 11.073 22.323 -10.607
80 HB3 ALA 28 2HB ALA 28 10.597 22.565 -8.910
81 H GLN 29 H GLN 29 12.279 18.731 -9.101
82 HA GLN 29 HA GLN 29 12.995 18.309 -11.942
83 HB2 GLN 29 1HB GLN 29 14.039 17.054 -9.394
84 HB3 GLN 29 2HB GLN 29 14.705 16.812 -11.026
85 HG2 GLN 29 1HG GLN 29 14.937 19.501 -9.417
86 HG3 GLN 29 2HG GLN 29 15.999 18.153 -9.887
87 HE21 GLN 29 2HE2 GLN 29 15.058 21.245 -10.639
88 HE22 GLN 29 1HE2 GLN 29 15.508 21.286 -12.312
89 H LEU 30 H LEU 30 10.671 17.149 -9.873
90 HA LEU 30 HA LEU 30 10.668 14.438 -11.119
91 HB2 LEU 30 1HB LEU 30 9.426 15.775 -8.846
92 HB3 LEU 30 2HB LEU 30 8.575 14.320 -9.414
93 HG LEU 30 HG LEU 30 10.840 13.118 -9.138
94 HD11 LEU 30 1HD1 LEU 30 12.341 14.135 -7.404
95 HD12 LEU 30 2HD1 LEU 30 12.213 15.178 -8.840
96 HD13 LEU 30 3HD1 LEU 30 11.296 15.575 -7.366
97 HD21 LEU 30 3HD2 LEU 30 8.926 12.695 -7.711
98 HD22 LEU 30 1HD2 LEU 30 10.418 12.688 -6.742
99 HD23 LEU 30 2HD2 LEU 30 9.333 14.100 -6.698
100 HA PRO 31 HA PRO 31 7.465 15.113 -14.005
101 HB2 PRO 31 1HB PRO 31 5.925 12.892 -12.603
102 HB3 PRO 31 2HB PRO 31 6.346 13.031 -14.315
103 HG2 PRO 31 1HG PRO 31 7.686 11.316 -12.771
104 HG3 PRO 31 2HG PRO 31 8.564 12.272 -13.973
105 HD2 PRO 31 1HD PRO 31 8.402 12.686 -10.962
106 HD3 PRO 31 2HD PRO 31 9.790 12.893 -12.039
107 H HIS 32 H HIS 32 5.559 16.123 -14.289
108 HA HIS 32 HA HIS 32 4.736 17.529 -11.793
109 HB2 HIS 32 1HB HIS 32 4.432 18.286 -14.734
110 HB3 HIS 32 2HB HIS 32 3.865 19.267 -13.361
111 HD1 HIS 32 HD1 HIS 32 6.084 19.549 -11.518
112 HD2 HIS 32 HD2 HIS 32 6.863 19.312 -15.653
113 HE1 HIS 32 HE1 HIS 32 8.244 20.639 -11.860
114 H ASP 33 H ASP 33 3.668 15.019 -13.674
115 HA ASP 33 HA ASP 33 0.796 15.556 -13.236
116 HB2 ASP 33 1HB ASP 33 0.447 13.359 -14.301
117 HB3 ASP 33 2HB ASP 33 1.649 14.389 -15.118
118 H TYR 34 H TYR 34 3.272 14.855 -11.216
119 HA TYR 34 HA TYR 34 1.888 12.983 -9.451
120 HB2 TYR 34 1HB TYR 34 4.183 14.908 -9.048
121 HB3 TYR 34 2HB TYR 34 3.558 13.821 -7.784
122 HD1 TYR 34 HD1 TYR 34 3.198 12.164 -10.837
123 HD2 TYR 34 HD2 TYR 34 6.196 13.268 -8.012
124 HE1 TYR 34 HE1 TYR 34 4.653 10.346 -11.683
125 HE2 TYR 34 HE2 TYR 34 7.660 11.458 -8.844
126 HH TYR 34 HH TYR 34 6.652 9.284 -11.493
127 H CYS 35 H CYS 35 1.273 13.538 -7.239
128 HA CYS 35 HA CYS 35 -0.375 16.084 -7.242
129 HB2 CYS 35 1HB CYS 35 -0.729 13.294 -6.058
130 HB3 CYS 35 2HB CYS 35 -1.869 14.648 -5.858
131 HG CYS 35 HG CYS 35 -2.840 12.888 -7.411
132 H THR 36 H THR 36 -0.481 17.275 -5.359
133 HA THR 36 HA THR 36 1.558 16.591 -3.265
134 HB THR 36 HB THR 36 1.617 19.013 -2.754
135 HG1 THR 36 HG1 THR 36 0.554 20.433 -4.258
136 HG21 THR 36 3HG2 THR 36 2.090 18.394 -5.698
137 HG22 THR 36 1HG2 THR 36 2.792 19.758 -4.795
138 HG23 THR 36 2HG2 THR 36 3.238 18.087 -4.374
139 H TPO 37 H TPO 37 1.088 16.800 -1.123
140 HA TPO 37 HA TPO 37 -1.792 16.791 -0.428
141 HB TPO 37 HB TPO 37 -1.106 16.138 1.774
142 HG21 TPO 37 1HG2 TPO 37 0.318 14.166 1.345
143 HG22 TPO 37 2HG2 TPO 37 -0.908 14.360 0.069
144 HG23 TPO 37 3HG2 TPO 37 0.777 14.841 -0.235
145 HA PRO 38 HA PRO 38 -2.408 20.840 0.940
146 HB2 PRO 38 1HB PRO 38 -2.907 19.746 3.746
147 HB3 PRO 38 2HB PRO 38 -3.934 20.815 2.781
148 HG2 PRO 38 1HG PRO 38 -4.600 18.249 3.024
149 HG3 PRO 38 2HG PRO 38 -4.767 19.037 1.449
150 HD2 PRO 38 1HD PRO 38 -2.613 17.109 2.393
151 HD3 PRO 38 2HD PRO 38 -3.372 17.234 0.801
152 H GLY 39 H GLY 39 -0.341 18.836 2.974
153 HA2 GLY 39 1HA GLY 39 0.985 21.068 4.240
154 HA3 GLY 39 2HA GLY 39 1.573 19.391 4.159
155 H GLY 40 H GLY 40 1.409 19.301 1.221
156 HA2 GLY 40 1HA GLY 40 2.274 20.602 -0.660
157 HA3 GLY 40 2HA GLY 40 3.433 21.363 0.454
158 H THR 41 H THR 41 2.741 17.949 0.683
159 HA THR 41 HA THR 41 5.511 17.357 -0.264
160 HB THR 41 HB THR 41 3.527 15.649 1.296
161 HG1 THR 41 HG1 THR 41 4.337 16.877 2.841
162 HG21 THR 41 3HG2 THR 41 6.430 15.143 0.531
163 HG22 THR 41 1HG2 THR 41 5.433 14.102 1.575
164 HG23 THR 41 2HG2 THR 41 5.016 14.301 -0.145
165 H LEU 42 H LEU 42 5.934 16.439 -2.100
166 HA LEU 42 HA LEU 42 3.763 15.789 -3.933
167 HB2 LEU 42 1HB LEU 42 5.938 16.788 -4.388
168 HB3 LEU 42 2HB LEU 42 6.747 15.206 -4.301
169 HG LEU 42 HG LEU 42 5.174 14.401 -6.099
170 HD11 LEU 42 1HD1 LEU 42 4.035 16.161 -7.477
171 HD12 LEU 42 2HD1 LEU 42 3.427 16.156 -5.805
172 HD13 LEU 42 3HD1 LEU 42 4.589 17.399 -6.326
173 HD21 LEU 42 3HD2 LEU 42 7.464 15.013 -6.608
174 HD22 LEU 42 1HD2 LEU 42 6.395 15.498 -7.945
175 HD23 LEU 42 2HD2 LEU 42 6.997 16.720 -6.798
176 H PHE 43 H PHE 43 3.017 13.897 -4.656
177 HA PHE 43 HA PHE 43 4.446 11.402 -3.989
178 HB2 PHE 43 1HB PHE 43 2.552 10.340 -2.893
179 HB3 PHE 43 2HB PHE 43 2.937 11.833 -2.007
180 HD1 PHE 43 HD2 PHE 43 1.465 13.741 -2.078
181 HD2 PHE 43 HD1 PHE 43 0.516 10.110 -4.119
182 HE1 PHE 43 HE2 PHE 43 -0.884 14.480 -2.297
183 HE2 PHE 43 HE1 PHE 43 -1.833 10.847 -4.342
184 HZ PHE 43 HZ PHE 43 -2.533 13.033 -3.431
185 H SER 44 H SER 44 3.477 9.508 -5.008
186 HA SER 44 HA SER 44 1.708 10.130 -7.378
187 HB2 SER 44 1HB SER 44 3.052 9.171 -8.909
188 HB3 SER 44 2HB SER 44 4.008 10.400 -8.049
189 HG SER 44 HG SER 44 5.373 8.833 -7.815
190 H THR 45 H THR 45 0.908 8.159 -8.387
191 HA THR 45 HA THR 45 1.079 5.705 -6.688
192 HB THR 45 HB THR 45 -1.500 6.853 -7.839
193 HG1 THR 45 HG1 THR 45 -0.784 7.921 -5.921
194 HG21 THR 45 3HG2 THR 45 -0.964 4.382 -6.144
195 HG22 THR 45 1HG2 THR 45 -2.565 4.970 -6.648
196 HG23 THR 45 2HG2 THR 45 -1.408 4.384 -7.867
197 H TPO 46 H TPO 46 1.464 3.923 -7.739
198 HA TPO 46 HA TPO 46 1.487 4.055 -10.715
199 HB TPO 46 HB TPO 46 2.937 2.152 -10.663
200 HG21 TPO 46 1HG2 TPO 46 4.779 2.890 -9.193
201 HG22 TPO 46 2HG2 TPO 46 4.024 4.275 -10.017
202 HG23 TPO 46 3HG2 TPO 46 3.651 3.945 -8.309
203 HA PRO 47 HA PRO 47 -1.909 1.577 -11.589
204 HB2 PRO 47 1HB PRO 47 -0.052 -0.419 -12.958
205 HB3 PRO 47 2HB PRO 47 -1.483 0.386 -13.615
206 HG2 PRO 47 1HG PRO 47 0.936 1.218 -14.360
207 HG3 PRO 47 2HG PRO 47 -0.324 2.413 -14.024
208 HD2 PRO 47 1HD PRO 47 2.036 1.598 -12.288
209 HD3 PRO 47 2HD PRO 47 1.331 3.203 -12.522
210 H GLY 48 H GLY 48 0.872 -0.071 -10.221
211 HA2 GLY 48 1HA GLY 48 -0.489 -2.481 -9.493
212 HA3 GLY 48 2HA GLY 48 0.992 -1.844 -8.741
213 H GLY 49 H GLY 49 -0.388 0.729 -8.098
214 HA2 GLY 49 1HA GLY 49 -2.330 1.369 -6.737
215 HA3 GLY 49 2HA GLY 49 -2.257 -0.234 -5.969
216 H THR 50 H THR 50 0.874 0.526 -6.328
217 HA THR 50 HA THR 50 1.240 1.194 -3.526
218 HB THR 50 HB THR 50 3.228 1.240 -5.836
219 HG1 THR 50 HG1 THR 50 2.937 -0.857 -5.629
220 HG21 THR 50 3HG2 THR 50 3.652 1.206 -2.821
221 HG22 THR 50 1HG2 THR 50 4.932 1.102 -4.053
222 HG23 THR 50 2HG2 THR 50 3.962 2.587 -3.899
223 H ARG 51 H ARG 51 1.328 3.040 -2.528
224 HA ARG 51 HA ARG 51 1.413 5.540 -4.151
225 HB2 ARG 51 1HB ARG 51 -0.379 5.362 -2.595
226 HB3 ARG 51 2HB ARG 51 0.778 5.127 -1.264
227 HG2 ARG 51 1HG ARG 51 1.677 7.374 -1.628
228 HG3 ARG 51 2HG ARG 51 0.556 7.612 -2.990
229 HD2 ARG 51 1HD ARG 51 -1.318 7.504 -1.503
230 HD3 ARG 51 2HD ARG 51 -0.237 7.171 -0.130
231 HE ARG 51 HE ARG 51 0.400 9.788 -1.280
232 HH11 ARG 51 1HH1 ARG 51 -2.009 8.198 0.677
233 HH12 ARG 51 2HH1 ARG 51 -2.364 9.714 1.482
234 HH21 ARG 51 1HH2 ARG 51 -0.001 11.533 -0.373
235 HH22 ARG 51 2HH2 ARG 51 -1.221 11.617 0.883
236 H ILE 52 H ILE 52 3.235 6.488 -4.536
237 HA ILE 52 HA ILE 52 5.519 6.054 -2.636
238 HB ILE 52 HB ILE 52 5.513 7.074 -5.515
239 HG12 ILE 52 1HG1 ILE 52 6.448 4.421 -4.457
240 HG13 ILE 52 2HG1 ILE 52 4.880 4.705 -5.246
241 HG21 ILE 52 1HG2 ILE 52 7.964 6.811 -5.346
242 HG22 ILE 52 2HG2 ILE 52 7.362 7.974 -4.142
243 HG23 ILE 52 3HG2 ILE 52 7.795 6.322 -3.643
244 HD11 ILE 52 3HD1 ILE 52 7.610 5.132 -6.511
245 HD12 ILE 52 1HD1 ILE 52 6.516 3.767 -6.831
246 HD13 ILE 52 2HD1 ILE 52 6.041 5.417 -7.300
247 H ILE 53 H ILE 53 5.885 7.483 -1.202
248 HA ILE 53 HA ILE 53 5.003 10.300 -1.721
249 HB ILE 53 HB ILE 53 5.804 8.878 0.860
250 HG12 ILE 53 1HG1 ILE 53 3.109 9.892 0.002
251 HG13 ILE 53 2HG1 ILE 53 3.651 8.205 -0.154
252 HG21 ILE 53 1HG2 ILE 53 5.039 10.949 1.972
253 HG22 ILE 53 2HG2 ILE 53 6.400 11.277 0.875
254 HG23 ILE 53 3HG2 ILE 53 4.742 11.693 0.384
255 HD11 ILE 53 3HD1 ILE 53 3.395 9.758 2.446
256 HD12 ILE 53 1HD1 ILE 53 2.268 8.512 1.862
257 HD13 ILE 53 2HD1 ILE 53 3.938 8.071 2.290
258 H TYR 54 H TYR 54 6.276 11.935 -1.960
259 HA TYR 54 HA TYR 54 9.208 11.308 -1.941
260 HB2 TYR 54 1HB TYR 54 7.694 13.414 -3.495
261 HB3 TYR 54 2HB TYR 54 9.432 13.042 -3.609
262 HD1 TYR 54 HD2 TYR 54 10.114 10.755 -4.486
263 HD2 TYR 54 HD1 TYR 54 6.125 12.225 -4.809
264 HE1 TYR 54 HE2 TYR 54 9.653 9.084 -6.248
265 HE2 TYR 54 HE1 TYR 54 5.645 10.557 -6.576
266 HH TYR 54 HH TYR 54 8.102 8.216 -7.673
267 H ASP 55 H ASP 55 9.918 11.879 0.005
268 HA ASP 55 HA ASP 55 9.052 14.436 1.208
269 HB2 ASP 55 1HB ASP 55 9.464 12.309 2.623
270 HB3 ASP 55 2HB ASP 55 11.126 12.495 2.011
271 H ARG 56 H ARG 56 9.836 16.243 0.477
272 HA ARG 56 HA ARG 56 12.527 16.351 -0.721
273 HB2 ARG 56 1HB ARG 56 10.699 17.538 -1.733
274 HB3 ARG 56 2HB ARG 56 10.540 18.533 -0.266
275 HG2 ARG 56 1HG ARG 56 12.814 19.405 -0.614
276 HG3 ARG 56 2HG ARG 56 12.967 18.414 -2.085
277 HD2 ARG 56 1HD ARG 56 11.127 19.654 -3.083
278 HD3 ARG 56 2HD ARG 56 11.040 20.669 -1.625
279 HE ARG 56 HE ARG 56 13.687 20.864 -2.919
280 HH11 ARG 56 1HH1 ARG 56 10.411 22.048 -3.077
281 HH12 ARG 56 2HH1 ARG 56 10.976 23.529 -3.825
282 HH21 ARG 56 1HH2 ARG 56 14.349 22.550 -3.783
283 HH22 ARG 56 2HH2 ARG 56 13.222 23.816 -4.230
284 H LYS 57 H LYS 57 14.297 16.562 0.368
285 HA LYS 57 HA LYS 57 14.474 17.069 3.145
286 HB2 LYS 57 1HB LYS 57 16.258 16.069 1.823
287 HB3 LYS 57 2HB LYS 57 16.495 17.609 0.964
288 HG2 LYS 57 1HG LYS 57 17.219 18.686 3.032
289 HG3 LYS 57 2HG LYS 57 16.905 17.190 3.944
290 HD2 LYS 57 1HD LYS 57 18.621 16.016 2.651
291 HD3 LYS 57 2HD LYS 57 18.912 17.481 1.683
292 HE2 LYS 57 1HE LYS 57 19.624 18.682 3.700
293 HE3 LYS 57 2HE LYS 57 19.316 17.231 4.680
294 HZ1 LYS 57 3HZ LYS 57 21.302 17.443 2.509
295 HZ2 LYS 57 1HZ LYS 57 21.641 17.450 4.123
296 HZ3 LYS 57 2HZ LYS 57 21.016 16.096 3.418
297 H PHE 58 H PHE 58 14.495 19.333 0.431
298 HA PHE 58 HA PHE 58 14.813 21.574 2.399
299 HB2 PHE 58 1HB PHE 58 15.320 21.561 -0.608
300 HB3 PHE 58 2HB PHE 58 15.617 22.911 0.509
301 HD1 PHE 58 HD2 PHE 58 17.303 22.539 2.381
302 HD2 PHE 58 HD1 PHE 58 16.967 20.020 -1.052
303 HE1 PHE 58 HE2 PHE 58 19.609 21.729 2.753
304 HE2 PHE 58 HE1 PHE 58 19.272 19.205 -0.682
305 HZ PHE 58 HZ PHE 58 20.592 20.060 1.221
306 H LEU 59 H LEU 59 12.323 20.217 2.016
307 HA LEU 59 HA LEU 59 10.599 21.608 0.212
308 HB2 LEU 59 1HB LEU 59 10.186 19.554 1.308
309 HB3 LEU 59 2HB LEU 59 9.905 20.298 2.899
310 HG LEU 59 HG LEU 59 8.033 21.624 1.842
311 HD11 LEU 59 1HD1 LEU 59 7.098 20.730 -0.308
312 HD12 LEU 59 2HD1 LEU 59 8.751 21.350 -0.530
313 HD13 LEU 59 3HD1 LEU 59 8.465 19.597 -0.414
314 HD21 LEU 59 3HD2 LEU 59 7.587 19.685 3.227
315 HD22 LEU 59 1HD2 LEU 59 6.420 19.753 1.885
316 HD23 LEU 59 2HD2 LEU 59 7.779 18.603 1.827
317 H LEU 60 H LEU 60 10.052 23.621 0.099
318 HA LEU 60 HA LEU 60 10.119 25.269 2.589
319 HB2 LEU 60 1HB LEU 60 9.933 25.909 -0.282
320 HB3 LEU 60 2HB LEU 60 9.993 27.211 0.928
321 HG LEU 60 HG LEU 60 12.191 25.211 0.274
322 HD11 LEU 60 1HD1 LEU 60 13.457 27.261 -0.425
323 HD12 LEU 60 2HD1 LEU 60 11.960 27.072 -1.368
324 HD13 LEU 60 3HD1 LEU 60 12.033 28.254 -0.039
325 HD21 LEU 60 3HD2 LEU 60 12.135 25.654 2.657
326 HD22 LEU 60 1HD2 LEU 60 13.557 26.437 1.928
327 HD23 LEU 60 2HD2 LEU 60 12.129 27.409 2.361
328 H ASP 61 H ASP 61 7.970 23.583 0.629
329 HA ASP 61 HA ASP 61 5.707 25.397 0.776
330 HB2 ASP 61 1HB ASP 61 5.840 22.364 0.267
331 HB3 ASP 61 2HB ASP 61 4.418 23.432 0.350
332 H ARG 62 H ARG 62 6.989 22.864 2.862
333 HA ARG 62 HA ARG 62 4.650 23.143 4.679
334 HB2 ARG 62 1HB ARG 62 5.393 20.929 4.155
335 HB3 ARG 62 2HB ARG 62 6.997 21.303 4.827
336 HG2 ARG 62 1HG ARG 62 5.990 21.663 7.039
337 HG3 ARG 62 2HG ARG 62 4.383 21.292 6.368
338 HD2 ARG 62 1HD ARG 62 5.083 19.043 5.891
339 HD3 ARG 62 2HD ARG 62 6.715 19.406 6.500
340 HE ARG 62 HE ARG 62 4.734 19.770 8.635
341 HH11 ARG 62 1HH1 ARG 62 6.419 17.282 6.866
342 HH12 ARG 62 2HH1 ARG 62 6.297 16.209 8.247
343 HH21 ARG 62 1HH2 ARG 62 4.579 18.551 10.222
344 HH22 ARG 62 2HH2 ARG 62 5.248 16.931 10.161
Start of MODEL 17
1 H2 PRO 18 1H PRO 18 -0.294 -1.340 -1.264
2 H3 PRO 18 2H PRO 18 -0.782 -0.971 0.105
3 HA PRO 18 HA PRO 18 1.423 -0.670 0.973
4 HB2 PRO 18 1HB PRO 18 3.111 -1.131 -1.145
5 HB3 PRO 18 2HB PRO 18 2.190 -2.464 -0.435
6 HG2 PRO 18 1HG PRO 18 1.585 -0.844 -2.930
7 HG3 PRO 18 2HG PRO 18 1.501 -2.595 -2.695
8 HD2 PRO 18 1HD PRO 18 -0.743 -1.005 -2.567
9 HD3 PRO 18 2HD PRO 18 -0.596 -2.481 -1.604
10 H THR 19 H THR 19 2.640 0.948 1.494
11 HA THR 19 HA THR 19 2.985 3.169 -0.477
12 HB THR 19 HB THR 19 2.173 3.538 2.437
13 HG1 THR 19 HG1 THR 19 0.258 4.419 1.451
14 HG21 THR 19 3HG2 THR 19 2.656 5.544 0.200
15 HG22 THR 19 1HG2 THR 19 2.078 5.931 1.837
16 HG23 THR 19 2HG2 THR 19 3.717 5.277 1.603
17 H ARG 20 H ARG 20 4.928 3.992 -0.601
18 HA ARG 20 HA ARG 20 6.832 3.473 1.651
19 HB2 ARG 20 1HB ARG 20 7.420 3.059 -1.246
20 HB3 ARG 20 2HB ARG 20 8.610 3.079 0.076
21 HG2 ARG 20 1HG ARG 20 6.292 1.133 -0.107
22 HG3 ARG 20 2HG ARG 20 7.938 0.785 -0.693
23 HD2 ARG 20 1HD ARG 20 8.779 1.118 1.572
24 HD3 ARG 20 2HD ARG 20 7.108 1.370 2.132
25 HE ARG 20 HE ARG 20 8.261 -1.304 1.473
26 HH11 ARG 20 1HH1 ARG 20 5.391 0.543 2.186
27 HH12 ARG 20 2HH1 ARG 20 4.529 -0.934 2.569
28 HH21 ARG 20 1HH2 ARG 20 7.291 -3.003 1.917
29 HH22 ARG 20 2HH2 ARG 20 5.611 -2.957 2.418
30 H THR 21 H THR 21 8.383 4.982 2.034
31 HA THR 21 HA THR 21 7.881 7.608 0.666
32 HB THR 21 HB THR 21 8.720 7.090 3.550
33 HG1 THR 21 HG1 THR 21 6.616 7.987 3.967
34 HG21 THR 21 3HG2 THR 21 8.079 9.672 2.070
35 HG22 THR 21 1HG2 THR 21 8.442 9.531 3.806
36 HG23 THR 21 2HG2 THR 21 9.696 9.152 2.600
37 H VAL 22 H VAL 22 9.459 8.481 -0.397
38 HA VAL 22 HA VAL 22 12.284 7.876 0.462
39 HB VAL 22 HB VAL 22 12.962 8.077 -1.894
40 HG11 VAL 22 1HG1 VAL 22 12.025 5.948 -2.733
41 HG12 VAL 22 2HG1 VAL 22 12.447 5.827 -1.009
42 HG13 VAL 22 3HG1 VAL 22 10.748 6.023 -1.497
43 HG21 VAL 22 3HG2 VAL 22 11.208 9.557 -2.671
44 HG22 VAL 22 1HG2 VAL 22 11.309 8.105 -3.693
45 HG23 VAL 22 2HG2 VAL 22 10.005 8.257 -2.491
46 H ALA 23 H ALA 23 13.841 9.455 0.044
47 HA ALA 23 HA ALA 23 12.668 12.179 0.269
48 HB1 ALA 23 3HB ALA 23 15.478 11.171 0.836
49 HB2 ALA 23 1HB ALA 23 14.896 12.832 1.095
50 HB3 ALA 23 2HB ALA 23 14.214 11.493 2.047
51 H ILE 24 H ILE 24 12.977 13.763 -1.149
52 HA ILE 24 HA ILE 24 14.674 13.143 -3.555
53 HB ILE 24 HB ILE 24 12.017 14.646 -3.482
54 HG12 ILE 24 1HG1 ILE 24 11.713 12.279 -3.120
55 HG13 ILE 24 2HG1 ILE 24 11.064 12.825 -4.683
56 HG21 ILE 24 1HG2 ILE 24 12.237 14.624 -5.944
57 HG22 ILE 24 2HG2 ILE 24 13.602 15.476 -5.188
58 HG23 ILE 24 3HG2 ILE 24 13.816 13.818 -5.796
59 HD11 ILE 24 3HD1 ILE 24 13.692 11.358 -4.263
60 HD12 ILE 24 1HD1 ILE 24 12.193 10.646 -4.901
61 HD13 ILE 24 2HD1 ILE 24 13.043 11.907 -5.827
62 H SER 25 H SER 25 16.158 14.484 -4.098
63 HA SER 25 HA SER 25 16.852 16.693 -2.325
64 HB2 SER 25 1HB SER 25 18.678 17.031 -3.660
65 HB3 SER 25 2HB SER 25 18.455 15.291 -3.369
66 HG SER 25 HG SER 25 18.974 15.768 -5.547
67 H ASP 26 H ASP 26 15.236 16.386 -5.473
68 HA ASP 26 HA ASP 26 14.297 19.175 -5.246
69 HB2 ASP 26 1HB ASP 26 16.565 19.239 -6.562
70 HB3 ASP 26 2HB ASP 26 15.652 18.180 -7.666
71 H ALA 27 H ALA 27 12.235 18.530 -5.093
72 HA ALA 27 HA ALA 27 11.169 16.388 -6.714
73 HB1 ALA 27 3HB ALA 27 9.750 18.510 -5.067
74 HB2 ALA 27 1HB ALA 27 9.002 17.045 -5.742
75 HB3 ALA 27 2HB ALA 27 10.262 16.904 -4.494
76 H ALA 28 H ALA 28 11.756 19.695 -7.303
77 HA ALA 28 HA ALA 28 9.675 20.205 -9.211
78 HB1 ALA 28 3HB ALA 28 12.480 21.356 -9.028
79 HB2 ALA 28 1HB ALA 28 11.147 22.016 -10.002
80 HB3 ALA 28 2HB ALA 28 11.028 22.000 -8.227
81 H GLN 29 H GLN 29 12.498 18.241 -9.325
82 HA GLN 29 HA GLN 29 12.624 18.242 -12.276
83 HB2 GLN 29 1HB GLN 29 14.046 16.585 -10.182
84 HB3 GLN 29 2HB GLN 29 14.364 16.532 -11.931
85 HG2 GLN 29 1HG GLN 29 15.154 19.120 -11.673
86 HG3 GLN 29 2HG GLN 29 14.640 18.686 -10.026
87 HE21 GLN 29 2HE2 GLN 29 17.130 19.702 -10.373
88 HE22 GLN 29 1HE2 GLN 29 18.328 18.465 -10.173
89 H LEU 30 H LEU 30 10.653 16.837 -10.005
90 HA LEU 30 HA LEU 30 10.338 14.267 -11.429
91 HB2 LEU 30 1HB LEU 30 8.889 15.606 -9.239
92 HB3 LEU 30 2HB LEU 30 8.483 13.935 -9.694
93 HG LEU 30 HG LEU 30 11.111 14.915 -8.516
94 HD11 LEU 30 1HD1 LEU 30 10.470 13.456 -6.578
95 HD12 LEU 30 2HD1 LEU 30 9.258 14.727 -6.860
96 HD13 LEU 30 3HD1 LEU 30 8.943 13.061 -7.401
97 HD21 LEU 30 3HD2 LEU 30 11.497 13.157 -10.140
98 HD22 LEU 30 1HD2 LEU 30 11.775 12.536 -8.496
99 HD23 LEU 30 2HD2 LEU 30 10.273 12.128 -9.360
100 HA PRO 31 HA PRO 31 7.140 15.279 -14.257
101 HB2 PRO 31 1HB PRO 31 5.619 12.975 -12.966
102 HB3 PRO 31 2HB PRO 31 5.961 13.248 -14.680
103 HG2 PRO 31 1HG PRO 31 7.343 11.396 -13.344
104 HG3 PRO 31 2HG PRO 31 8.177 12.432 -14.510
105 HD2 PRO 31 1HD PRO 31 8.180 12.599 -11.473
106 HD3 PRO 31 2HD PRO 31 9.507 12.893 -12.602
107 H HIS 32 H HIS 32 5.237 16.332 -14.390
108 HA HIS 32 HA HIS 32 4.591 17.612 -11.783
109 HB2 HIS 32 1HB HIS 32 4.056 18.478 -14.660
110 HB3 HIS 32 2HB HIS 32 3.595 19.405 -13.213
111 HD1 HIS 32 HD1 HIS 32 5.930 19.661 -11.537
112 HD2 HIS 32 HD2 HIS 32 6.428 19.509 -15.719
113 HE1 HIS 32 HE1 HIS 32 8.062 20.761 -12.002
114 H ASP 33 H ASP 33 3.377 15.150 -13.611
115 HA ASP 33 HA ASP 33 0.539 15.700 -12.997
116 HB2 ASP 33 1HB ASP 33 0.111 13.524 -14.072
117 HB3 ASP 33 2HB ASP 33 1.278 14.552 -14.941
118 H TYR 34 H TYR 34 3.113 14.980 -11.123
119 HA TYR 34 HA TYR 34 1.877 13.081 -9.298
120 HB2 TYR 34 1HB TYR 34 4.057 15.150 -8.971
121 HB3 TYR 34 2HB TYR 34 3.536 14.037 -7.682
122 HD1 TYR 34 HD1 TYR 34 3.265 12.459 -10.835
123 HD2 TYR 34 HD2 TYR 34 6.126 13.522 -7.858
124 HE1 TYR 34 HE1 TYR 34 4.805 10.727 -11.708
125 HE2 TYR 34 HE2 TYR 34 7.676 11.799 -8.716
126 HH TYR 34 HH TYR 34 8.016 10.161 -10.262
127 H CYS 35 H CYS 35 1.253 13.586 -7.092
128 HA CYS 35 HA CYS 35 -0.553 16.022 -7.065
129 HB2 CYS 35 1HB CYS 35 -0.719 13.213 -5.886
130 HB3 CYS 35 2HB CYS 35 -1.945 14.488 -5.688
131 HG CYS 35 HG CYS 35 -2.798 12.665 -7.237
132 H THR 36 H THR 36 -0.653 17.246 -5.223
133 HA THR 36 HA THR 36 1.389 16.633 -3.108
134 HB THR 36 HB THR 36 0.460 19.363 -4.097
135 HG1 THR 36 HG1 THR 36 2.664 19.474 -4.831
136 HG21 THR 36 3HG2 THR 36 2.567 18.567 -2.049
137 HG22 THR 36 1HG2 THR 36 2.224 20.225 -2.598
138 HG23 THR 36 2HG2 THR 36 0.995 19.316 -1.685
139 H TPO 37 H TPO 37 0.820 16.621 -1.062
140 HA TPO 37 HA TPO 37 -2.055 16.803 -0.448
141 HB TPO 37 HB TPO 37 -1.479 15.949 1.727
142 HG21 TPO 37 1HG2 TPO 37 -0.206 13.908 1.164
143 HG22 TPO 37 2HG2 TPO 37 -1.388 14.297 -0.109
144 HG23 TPO 37 3HG2 TPO 37 0.336 14.663 -0.352
145 HA PRO 38 HA PRO 38 -2.457 20.779 1.198
146 HB2 PRO 38 1HB PRO 38 -3.310 19.503 3.833
147 HB3 PRO 38 2HB PRO 38 -4.161 20.720 2.869
148 HG2 PRO 38 1HG PRO 38 -5.020 18.198 2.835
149 HG3 PRO 38 2HG PRO 38 -4.985 19.120 1.326
150 HD2 PRO 38 1HD PRO 38 -3.058 16.970 2.288
151 HD3 PRO 38 2HD PRO 38 -3.662 17.269 0.653
152 H GLY 39 H GLY 39 -0.734 18.423 3.160
153 HA2 GLY 39 1HA GLY 39 0.539 20.353 4.872
154 HA3 GLY 39 2HA GLY 39 1.083 18.686 4.571
155 H GLY 40 H GLY 40 1.208 19.118 1.648
156 HA2 GLY 40 1HA GLY 40 2.396 20.570 0.104
157 HA3 GLY 40 2HA GLY 40 3.410 21.126 1.455
158 H THR 41 H THR 41 2.498 17.771 0.769
159 HA THR 41 HA THR 41 5.360 17.209 0.050
160 HB THR 41 HB THR 41 3.377 15.389 1.479
161 HG1 THR 41 HG1 THR 41 4.132 16.539 3.113
162 HG21 THR 41 3HG2 THR 41 6.303 14.991 0.740
163 HG22 THR 41 1HG2 THR 41 5.309 13.865 1.693
164 HG23 THR 41 2HG2 THR 41 4.919 14.169 -0.017
165 H LEU 42 H LEU 42 5.765 16.410 -1.846
166 HA LEU 42 HA LEU 42 3.580 15.789 -3.681
167 HB2 LEU 42 1HB LEU 42 5.724 16.868 -4.122
168 HB3 LEU 42 2HB LEU 42 6.572 15.304 -4.117
169 HG LEU 42 HG LEU 42 4.994 14.539 -5.926
170 HD11 LEU 42 1HD1 LEU 42 3.780 16.326 -7.203
171 HD12 LEU 42 2HD1 LEU 42 3.203 16.226 -5.523
172 HD13 LEU 42 3HD1 LEU 42 4.319 17.526 -6.006
173 HD21 LEU 42 3HD2 LEU 42 7.257 15.242 -6.444
174 HD22 LEU 42 1HD2 LEU 42 6.150 15.756 -7.740
175 HD23 LEU 42 2HD2 LEU 42 6.736 16.941 -6.547
176 H PHE 43 H PHE 43 2.898 13.902 -4.490
177 HA PHE 43 HA PHE 43 4.386 11.424 -3.894
178 HB2 PHE 43 1HB PHE 43 2.549 10.287 -2.810
179 HB3 PHE 43 2HB PHE 43 2.831 11.795 -1.912
180 HD1 PHE 43 HD2 PHE 43 1.278 13.667 -2.112
181 HD2 PHE 43 HD1 PHE 43 0.527 9.894 -3.970
182 HE1 PHE 43 HE2 PHE 43 -1.105 14.273 -2.374
183 HE2 PHE 43 HE1 PHE 43 -1.855 10.496 -4.236
184 HZ PHE 43 HZ PHE 43 -2.671 12.687 -3.438
185 H SER 44 H SER 44 3.481 9.542 -4.981
186 HA SER 44 HA SER 44 1.534 10.070 -7.198
187 HB2 SER 44 1HB SER 44 3.526 10.867 -8.131
188 HB3 SER 44 2HB SER 44 4.336 9.323 -7.778
189 HG SER 44 HG SER 44 2.047 9.674 -9.418
190 H THR 45 H THR 45 0.424 8.268 -7.706
191 HA THR 45 HA THR 45 1.359 5.678 -6.512
192 HB THR 45 HB THR 45 -1.466 6.563 -7.238
193 HG1 THR 45 HG1 THR 45 -0.618 7.519 -5.307
194 HG21 THR 45 3HG2 THR 45 -0.431 4.029 -5.904
195 HG22 THR 45 1HG2 THR 45 -2.142 4.451 -6.149
196 HG23 THR 45 2HG2 THR 45 -1.092 4.140 -7.552
197 H TPO 46 H TPO 46 1.839 4.041 -7.745
198 HA TPO 46 HA TPO 46 1.721 4.455 -10.668
199 HB TPO 46 HB TPO 46 3.168 2.537 -10.835
200 HG21 TPO 46 1HG2 TPO 46 5.043 3.173 -9.358
201 HG22 TPO 46 2HG2 TPO 46 4.255 4.612 -10.049
202 HG23 TPO 46 3HG2 TPO 46 3.929 4.142 -8.363
203 HA PRO 47 HA PRO 47 -1.658 2.047 -11.804
204 HB2 PRO 47 1HB PRO 47 0.211 0.301 -13.463
205 HB3 PRO 47 2HB PRO 47 -1.245 1.163 -13.981
206 HG2 PRO 47 1HG PRO 47 1.148 2.133 -14.639
207 HG3 PRO 47 2HG PRO 47 -0.125 3.247 -14.124
208 HD2 PRO 47 1HD PRO 47 2.275 2.237 -12.547
209 HD3 PRO 47 2HD PRO 47 1.550 3.851 -12.555
210 H GLY 48 H GLY 48 1.183 0.325 -10.687
211 HA2 GLY 48 1HA GLY 48 -0.086 -2.211 -10.288
212 HA3 GLY 48 2HA GLY 48 1.375 -1.625 -9.459
213 H GLY 49 H GLY 49 -0.094 0.785 -8.474
214 HA2 GLY 49 1HA GLY 49 -2.024 1.203 -7.039
215 HA3 GLY 49 2HA GLY 49 -1.971 -0.504 -6.538
216 H THR 50 H THR 50 1.129 0.821 -6.850
217 HA THR 50 HA THR 50 1.380 1.008 -3.886
218 HB THR 50 HB THR 50 3.527 0.968 -6.048
219 HG1 THR 50 HG1 THR 50 2.960 -1.090 -6.013
220 HG21 THR 50 3HG2 THR 50 3.701 0.706 -3.020
221 HG22 THR 50 1HG2 THR 50 5.061 0.552 -4.157
222 HG23 THR 50 2HG2 THR 50 4.226 2.113 -3.973
223 H ARG 51 H ARG 51 1.486 2.814 -2.835
224 HA ARG 51 HA ARG 51 1.729 5.353 -4.354
225 HB2 ARG 51 1HB ARG 51 -0.056 5.211 -2.814
226 HB3 ARG 51 2HB ARG 51 1.070 4.825 -1.492
227 HG2 ARG 51 1HG ARG 51 2.107 7.038 -1.722
228 HG3 ARG 51 2HG ARG 51 0.990 7.425 -3.054
229 HD2 ARG 51 1HD ARG 51 -0.875 7.329 -1.559
230 HD3 ARG 51 2HD ARG 51 0.189 6.834 -0.222
231 HE ARG 51 HE ARG 51 1.000 9.475 -1.164
232 HH11 ARG 51 1HH1 ARG 51 -1.575 7.930 0.605
233 HH12 ARG 51 2HH1 ARG 51 -1.855 9.409 1.502
234 HH21 ARG 51 1HH2 ARG 51 0.688 11.180 -0.151
235 HH22 ARG 51 2HH2 ARG 51 -0.566 11.264 1.071
236 H ILE 52 H ILE 52 3.455 6.542 -4.510
237 HA ILE 52 HA ILE 52 5.708 6.037 -2.577
238 HB ILE 52 HB ILE 52 5.835 7.040 -5.458
239 HG12 ILE 52 1HG1 ILE 52 6.826 4.444 -4.314
240 HG13 ILE 52 2HG1 ILE 52 5.294 4.648 -5.194
241 HG21 ILE 52 1HG2 ILE 52 8.282 6.889 -5.141
242 HG22 ILE 52 2HG2 ILE 52 7.558 8.036 -3.991
243 HG23 ILE 52 3HG2 ILE 52 8.033 6.411 -3.446
244 HD11 ILE 52 3HD1 ILE 52 8.070 5.185 -6.307
245 HD12 ILE 52 1HD1 ILE 52 7.059 3.768 -6.671
246 HD13 ILE 52 2HD1 ILE 52 6.537 5.389 -7.188
247 H ILE 53 H ILE 53 6.068 7.495 -1.173
248 HA ILE 53 HA ILE 53 5.082 10.272 -1.684
249 HB ILE 53 HB ILE 53 6.111 8.906 0.846
250 HG12 ILE 53 1HG1 ILE 53 3.342 9.872 0.191
251 HG13 ILE 53 2HG1 ILE 53 3.897 8.195 -0.015
252 HG21 ILE 53 1HG2 ILE 53 5.392 10.973 1.996
253 HG22 ILE 53 2HG2 ILE 53 6.664 11.315 0.800
254 HG23 ILE 53 3HG2 ILE 53 4.967 11.698 0.428
255 HD11 ILE 53 3HD1 ILE 53 3.817 9.732 2.605
256 HD12 ILE 53 1HD1 ILE 53 2.668 8.472 2.102
257 HD13 ILE 53 2HD1 ILE 53 4.372 8.055 2.399
258 H TYR 54 H TYR 54 6.263 12.026 -1.804
259 HA TYR 54 HA TYR 54 9.220 11.544 -2.027
260 HB2 TYR 54 1HB TYR 54 7.521 13.546 -3.528
261 HB3 TYR 54 2HB TYR 54 9.264 13.242 -3.735
262 HD1 TYR 54 HD2 TYR 54 9.931 10.836 -4.467
263 HD2 TYR 54 HD1 TYR 54 5.990 12.409 -4.888
264 HE1 TYR 54 HE2 TYR 54 9.441 9.120 -6.177
265 HE2 TYR 54 HE1 TYR 54 5.481 10.695 -6.604
266 HH TYR 54 HH TYR 54 7.894 8.271 -7.617
267 H ASP 55 H ASP 55 9.865 12.141 -0.036
268 HA ASP 55 HA ASP 55 8.919 14.649 1.162
269 HB2 ASP 55 1HB ASP 55 9.600 12.566 2.546
270 HB3 ASP 55 2HB ASP 55 11.203 12.911 1.849
271 H ARG 56 H ARG 56 9.506 16.520 0.412
272 HA ARG 56 HA ARG 56 11.845 16.990 -1.176
273 HB2 ARG 56 1HB ARG 56 10.065 18.853 0.319
274 HB3 ARG 56 2HB ARG 56 11.451 19.372 -0.668
275 HG2 ARG 56 1HG ARG 56 10.407 18.242 -2.631
276 HG3 ARG 56 2HG ARG 56 8.986 17.883 -1.621
277 HD2 ARG 56 1HD ARG 56 9.980 20.668 -2.055
278 HD3 ARG 56 2HD ARG 56 8.871 19.858 -3.186
279 HE ARG 56 HE ARG 56 7.520 19.750 -0.700
280 HH11 ARG 56 1HH1 ARG 56 8.934 22.345 -2.550
281 HH12 ARG 56 2HH1 ARG 56 7.736 23.457 -1.920
282 HH21 ARG 56 1HH2 ARG 56 6.145 21.012 0.038
283 HH22 ARG 56 2HH2 ARG 56 6.145 22.698 -0.442
284 H LYS 57 H LYS 57 13.880 17.106 -0.705
285 HA LYS 57 HA LYS 57 14.983 16.953 1.903
286 HB2 LYS 57 1HB LYS 57 16.216 16.479 -0.155
287 HB3 LYS 57 2HB LYS 57 16.143 18.202 -0.594
288 HG2 LYS 57 1HG LYS 57 17.499 18.777 1.365
289 HG3 LYS 57 2HG LYS 57 17.543 17.065 1.849
290 HD2 LYS 57 1HD LYS 57 18.727 16.492 -0.219
291 HD3 LYS 57 2HD LYS 57 18.652 18.191 -0.744
292 HE2 LYS 57 1HE LYS 57 19.988 18.857 1.207
293 HE3 LYS 57 2HE LYS 57 20.060 17.161 1.738
294 HZ1 LYS 57 3HZ LYS 57 21.174 18.217 -0.781
295 HZ2 LYS 57 1HZ LYS 57 22.049 17.809 0.558
296 HZ3 LYS 57 2HZ LYS 57 21.242 16.644 -0.289
297 H PHE 58 H PHE 58 14.173 19.798 -0.058
298 HA PHE 58 HA PHE 58 14.061 21.407 2.418
299 HB2 PHE 58 1HB PHE 58 15.566 23.153 1.557
300 HB3 PHE 58 2HB PHE 58 16.445 21.615 1.705
301 HD1 PHE 58 HD2 PHE 58 17.081 20.351 -0.272
302 HD2 PHE 58 HD1 PHE 58 15.188 24.171 -0.551
303 HE1 PHE 58 HE2 PHE 58 17.805 20.535 -2.629
304 HE2 PHE 58 HE1 PHE 58 15.908 24.358 -2.909
305 HZ PHE 58 HZ PHE 58 17.217 22.540 -3.947
306 H LEU 59 H LEU 59 13.258 23.607 2.013
307 HA LEU 59 HA LEU 59 10.848 23.431 0.448
308 HB2 LEU 59 1HB LEU 59 11.045 24.656 2.400
309 HB3 LEU 59 2HB LEU 59 12.221 25.834 1.772
310 HG LEU 59 HG LEU 59 10.480 26.504 0.062
311 HD11 LEU 59 1HD1 LEU 59 8.100 25.926 0.606
312 HD12 LEU 59 2HD1 LEU 59 9.055 24.467 0.252
313 HD13 LEU 59 3HD1 LEU 59 8.671 24.893 1.936
314 HD21 LEU 59 3HD2 LEU 59 10.942 27.872 2.009
315 HD22 LEU 59 1HD2 LEU 59 9.202 27.913 1.637
316 HD23 LEU 59 2HD2 LEU 59 9.802 26.918 2.987
317 H LEU 60 H LEU 60 10.561 23.584 -1.615
318 HA LEU 60 HA LEU 60 12.647 24.783 -3.320
319 HB2 LEU 60 1HB LEU 60 10.002 23.586 -3.829
320 HB3 LEU 60 2HB LEU 60 11.072 24.014 -5.186
321 HG LEU 60 HG LEU 60 11.580 21.898 -3.058
322 HD11 LEU 60 1HD1 LEU 60 11.462 20.313 -4.999
323 HD12 LEU 60 2HD1 LEU 60 9.940 21.214 -4.807
324 HD13 LEU 60 3HD1 LEU 60 11.099 21.681 -6.075
325 HD21 LEU 60 3HD2 LEU 60 13.642 23.017 -3.670
326 HD22 LEU 60 1HD2 LEU 60 13.625 21.367 -4.339
327 HD23 LEU 60 2HD2 LEU 60 13.302 22.762 -5.398
328 H ASP 61 H ASP 61 9.597 25.681 -1.937
329 HA ASP 61 HA ASP 61 9.223 27.941 -3.797
330 HB2 ASP 61 1HB ASP 61 7.266 26.622 -2.651
331 HB3 ASP 61 2HB ASP 61 7.943 27.399 -1.198
332 H ARG 62 H ARG 62 11.383 28.802 -3.400
333 HA ARG 62 HA ARG 62 11.298 30.656 -1.047
334 HB2 ARG 62 1HB ARG 62 13.686 29.142 -2.002
335 HB3 ARG 62 2HB ARG 62 13.701 30.497 -0.849
336 HG2 ARG 62 1HG ARG 62 12.264 29.177 0.678
337 HG3 ARG 62 2HG ARG 62 12.340 27.812 -0.463
338 HD2 ARG 62 1HD ARG 62 13.841 27.423 1.321
339 HD3 ARG 62 2HD ARG 62 14.773 27.761 -0.156
340 HE ARG 62 HE ARG 62 14.593 30.164 1.531
341 HH11 ARG 62 1HH1 ARG 62 16.270 27.121 1.240
342 HH12 ARG 62 2HH1 ARG 62 17.657 27.798 2.070
343 HH21 ARG 62 1HH2 ARG 62 16.171 30.953 2.491
344 HH22 ARG 62 2HH2 ARG 62 17.602 29.983 2.784
Start of MODEL 18
1 H2 PRO 18 1H PRO 18 -0.868 -0.603 -0.002
2 H3 PRO 18 2H PRO 18 -0.336 -0.707 1.396
3 HA PRO 18 HA PRO 18 1.944 -0.759 0.685
4 HB2 PRO 18 1HB PRO 18 1.848 -0.498 -2.057
5 HB3 PRO 18 2HB PRO 18 1.297 -1.986 -1.276
6 HG2 PRO 18 1HG PRO 18 -0.344 0.356 -2.289
7 HG3 PRO 18 2HG PRO 18 -0.644 -1.377 -2.478
8 HD2 PRO 18 1HD PRO 18 -1.925 0.113 -0.552
9 HD3 PRO 18 2HD PRO 18 -1.540 -1.594 -0.298
10 H THR 19 H THR 19 3.115 0.794 1.403
11 HA THR 19 HA THR 19 3.017 3.405 -0.070
12 HB THR 19 HB THR 19 3.396 3.020 2.930
13 HG1 THR 19 HG1 THR 19 1.384 4.185 2.995
14 HG21 THR 19 3HG2 THR 19 3.283 5.534 1.217
15 HG22 THR 19 1HG2 THR 19 3.397 5.489 2.993
16 HG23 THR 19 2HG2 THR 19 4.738 4.873 1.998
17 H ARG 20 H ARG 20 4.836 4.107 -0.854
18 HA ARG 20 HA ARG 20 7.372 2.875 0.183
19 HB2 ARG 20 1HB ARG 20 6.928 2.154 -2.030
20 HB3 ARG 20 2HB ARG 20 6.753 3.839 -2.574
21 HG2 ARG 20 1HG ARG 20 9.106 4.268 -2.043
22 HG3 ARG 20 2HG ARG 20 9.287 2.595 -1.461
23 HD2 ARG 20 1HD ARG 20 8.844 1.768 -3.683
24 HD3 ARG 20 2HD ARG 20 8.638 3.436 -4.269
25 HE ARG 20 HE ARG 20 11.338 3.148 -3.220
26 HH11 ARG 20 1HH1 ARG 20 9.405 2.054 -5.908
27 HH12 ARG 20 2HH1 ARG 20 10.842 1.946 -6.905
28 HH21 ARG 20 1HH2 ARG 20 12.993 3.024 -4.347
29 HH22 ARG 20 2HH2 ARG 20 12.889 2.499 -6.016
30 H THR 21 H THR 21 8.827 4.106 1.066
31 HA THR 21 HA THR 21 8.355 7.048 1.046
32 HB THR 21 HB THR 21 10.208 5.342 2.762
33 HG1 THR 21 HG1 THR 21 8.624 5.864 4.383
34 HG21 THR 21 3HG2 THR 21 9.443 8.282 2.946
35 HG22 THR 21 1HG2 THR 21 10.451 7.395 4.113
36 HG23 THR 21 2HG2 THR 21 11.030 7.651 2.449
37 H VAL 22 H VAL 22 9.301 8.205 -0.421
38 HA VAL 22 HA VAL 22 12.196 7.626 -1.030
39 HB VAL 22 HB VAL 22 10.059 8.650 -2.948
40 HG11 VAL 22 1HG1 VAL 22 11.880 8.584 -4.617
41 HG12 VAL 22 2HG1 VAL 22 12.268 9.706 -3.292
42 HG13 VAL 22 3HG1 VAL 22 13.028 8.097 -3.348
43 HG21 VAL 22 3HG2 VAL 22 9.846 6.266 -2.573
44 HG22 VAL 22 1HG2 VAL 22 10.481 6.596 -4.202
45 HG23 VAL 22 2HG2 VAL 22 11.578 6.038 -2.917
46 H ALA 23 H ALA 23 13.524 9.096 -0.462
47 HA ALA 23 HA ALA 23 12.525 11.811 0.120
48 HB1 ALA 23 3HB ALA 23 15.293 10.593 0.405
49 HB2 ALA 23 1HB ALA 23 14.806 12.210 0.964
50 HB3 ALA 23 2HB ALA 23 14.083 10.760 1.699
51 H ILE 24 H ILE 24 13.018 13.647 -0.937
52 HA ILE 24 HA ILE 24 14.653 13.400 -3.442
53 HB ILE 24 HB ILE 24 13.034 14.863 -4.597
54 HG12 ILE 24 1HG1 ILE 24 11.287 14.553 -2.171
55 HG13 ILE 24 2HG1 ILE 24 12.278 15.986 -2.533
56 HG21 ILE 24 1HG2 ILE 24 11.167 13.261 -4.836
57 HG22 ILE 24 2HG2 ILE 24 12.733 12.417 -4.797
58 HG23 ILE 24 3HG2 ILE 24 11.691 12.427 -3.354
59 HD11 ILE 24 3HD1 ILE 24 10.027 14.898 -4.260
60 HD12 ILE 24 1HD1 ILE 24 9.936 16.331 -3.212
61 HD13 ILE 24 2HD1 ILE 24 11.019 16.330 -4.624
62 H SER 25 H SER 25 15.418 15.382 -4.322
63 HA SER 25 HA SER 25 16.330 17.202 -2.098
64 HB2 SER 25 1HB SER 25 18.093 17.796 -3.455
65 HB3 SER 25 2HB SER 25 18.008 16.030 -3.263
66 HG SER 25 HG SER 25 18.436 16.669 -5.419
67 H ASP 26 H ASP 26 14.514 17.063 -5.117
68 HA ASP 26 HA ASP 26 13.670 19.866 -4.810
69 HB2 ASP 26 1HB ASP 26 15.912 19.979 -6.124
70 HB3 ASP 26 2HB ASP 26 15.036 18.905 -7.243
71 H ALA 27 H ALA 27 11.598 19.856 -5.087
72 HA ALA 27 HA ALA 27 10.232 17.636 -6.306
73 HB1 ALA 27 3HB ALA 27 9.209 20.395 -5.552
74 HB2 ALA 27 1HB ALA 27 8.200 18.987 -5.954
75 HB3 ALA 27 2HB ALA 27 9.226 18.959 -4.501
76 H ALA 28 H ALA 28 11.535 20.589 -7.545
77 HA ALA 28 HA ALA 28 9.888 20.819 -9.882
78 HB1 ALA 28 3HB ALA 28 12.761 21.692 -9.426
79 HB2 ALA 28 1HB ALA 28 11.713 22.222 -10.761
80 HB3 ALA 28 2HB ALA 28 11.305 22.656 -9.084
81 H GLN 29 H GLN 29 12.412 18.636 -9.013
82 HA GLN 29 HA GLN 29 12.987 17.897 -11.818
83 HB2 GLN 29 1HB GLN 29 13.888 16.689 -9.193
84 HB3 GLN 29 2HB GLN 29 14.480 16.238 -10.809
85 HG2 GLN 29 1HG GLN 29 15.124 18.978 -9.412
86 HG3 GLN 29 2HG GLN 29 15.973 17.456 -9.769
87 HE21 GLN 29 2HE2 GLN 29 15.469 20.583 -10.777
88 HE22 GLN 29 1HE2 GLN 29 15.910 20.421 -12.445
89 H LEU 30 H LEU 30 10.576 17.230 -9.621
90 HA LEU 30 HA LEU 30 10.145 14.465 -10.629
91 HB2 LEU 30 1HB LEU 30 9.097 16.215 -8.552
92 HB3 LEU 30 2HB LEU 30 8.012 14.881 -9.009
93 HG LEU 30 HG LEU 30 9.899 13.289 -8.482
94 HD11 LEU 30 1HD1 LEU 30 11.728 14.162 -7.004
95 HD12 LEU 30 2HD1 LEU 30 11.756 14.949 -8.599
96 HD13 LEU 30 3HD1 LEU 30 11.077 15.807 -7.195
97 HD21 LEU 30 3HD2 LEU 30 8.050 13.613 -6.947
98 HD22 LEU 30 1HD2 LEU 30 9.562 13.386 -6.037
99 HD23 LEU 30 2HD2 LEU 30 8.865 15.015 -6.215
100 HA PRO 31 HA PRO 31 7.293 15.484 -13.830
101 HB2 PRO 31 1HB PRO 31 5.715 13.174 -12.624
102 HB3 PRO 31 2HB PRO 31 6.186 13.427 -14.311
103 HG2 PRO 31 1HG PRO 31 7.488 11.620 -12.840
104 HG3 PRO 31 2HG PRO 31 8.395 12.652 -13.955
105 HD2 PRO 31 1HD PRO 31 8.157 12.866 -10.930
106 HD3 PRO 31 2HD PRO 31 9.565 13.163 -11.956
107 H HIS 32 H HIS 32 5.422 16.535 -14.119
108 HA HIS 32 HA HIS 32 4.476 17.772 -11.585
109 HB2 HIS 32 1HB HIS 32 4.239 18.635 -14.501
110 HB3 HIS 32 2HB HIS 32 3.541 19.525 -13.126
111 HD1 HIS 32 HD1 HIS 32 5.518 20.932 -14.915
112 HD2 HIS 32 HD2 HIS 32 6.702 18.871 -11.435
113 HE1 HIS 32 HE1 HIS 32 7.705 21.836 -14.307
114 H ASP 33 H ASP 33 3.537 15.259 -13.477
115 HA ASP 33 HA ASP 33 0.635 15.705 -13.093
116 HB2 ASP 33 1HB ASP 33 0.369 13.519 -14.195
117 HB3 ASP 33 2HB ASP 33 1.564 14.585 -14.976
118 H TYR 34 H TYR 34 3.097 15.089 -11.042
119 HA TYR 34 HA TYR 34 1.841 13.098 -9.333
120 HB2 TYR 34 1HB TYR 34 3.933 15.227 -8.885
121 HB3 TYR 34 2HB TYR 34 3.351 14.145 -7.597
122 HD1 TYR 34 HD1 TYR 34 3.283 12.433 -10.678
123 HD2 TYR 34 HD2 TYR 34 5.978 13.707 -7.628
124 HE1 TYR 34 HE1 TYR 34 4.906 10.706 -11.400
125 HE2 TYR 34 HE2 TYR 34 7.608 11.989 -8.336
126 HH TYR 34 HH TYR 34 6.942 9.764 -11.050
127 H CYS 35 H CYS 35 0.993 13.481 -7.210
128 HA CYS 35 HA CYS 35 -0.758 15.944 -7.097
129 HB2 CYS 35 1HB CYS 35 -0.808 13.174 -5.822
130 HB3 CYS 35 2HB CYS 35 -2.044 14.435 -5.598
131 HG CYS 35 HG CYS 35 -2.947 12.546 -7.035
132 H THR 36 H THR 36 -0.983 17.024 -5.099
133 HA THR 36 HA THR 36 1.255 16.584 -3.152
134 HB THR 36 HB THR 36 1.403 19.018 -2.840
135 HG1 THR 36 HG1 THR 36 0.247 20.369 -4.341
136 HG21 THR 36 3HG2 THR 36 1.630 18.217 -5.768
137 HG22 THR 36 1HG2 THR 36 2.423 19.616 -5.008
138 HG23 THR 36 2HG2 THR 36 2.874 17.964 -4.523
139 H TPO 37 H TPO 37 0.867 16.958 -1.016
140 HA TPO 37 HA TPO 37 -1.997 17.127 -0.239
141 HB TPO 37 HB TPO 37 -1.292 16.492 1.964
142 HG21 TPO 37 1HG2 TPO 37 -0.050 14.396 1.556
143 HG22 TPO 37 2HG2 TPO 37 -1.300 14.652 0.314
144 HG23 TPO 37 3HG2 TPO 37 0.407 14.982 -0.061
145 HA PRO 38 HA PRO 38 -2.251 21.253 1.001
146 HB2 PRO 38 1HB PRO 38 -2.793 20.296 3.847
147 HB3 PRO 38 2HB PRO 38 -3.748 21.408 2.856
148 HG2 PRO 38 1HG PRO 38 -4.605 18.910 3.201
149 HG3 PRO 38 2HG PRO 38 -4.739 19.655 1.602
150 HD2 PRO 38 1HD PRO 38 -2.721 17.601 2.581
151 HD3 PRO 38 2HD PRO 38 -3.497 17.729 0.997
152 H GLY 39 H GLY 39 -0.291 19.138 3.013
153 HA2 GLY 39 1HA GLY 39 1.184 21.272 4.277
154 HA3 GLY 39 2HA GLY 39 1.674 19.565 4.164
155 H GLY 40 H GLY 40 1.456 19.537 1.225
156 HA2 GLY 40 1HA GLY 40 2.431 20.744 -0.654
157 HA3 GLY 40 2HA GLY 40 3.622 21.449 0.464
158 H THR 41 H THR 41 2.680 18.073 0.620
159 HA THR 41 HA THR 41 5.423 17.316 -0.313
160 HB THR 41 HB THR 41 3.410 15.755 1.360
161 HG1 THR 41 HG1 THR 41 4.312 16.977 2.853
162 HG21 THR 41 3HG2 THR 41 6.269 15.102 0.542
163 HG22 THR 41 1HG2 THR 41 5.257 14.139 1.643
164 HG23 THR 41 2HG2 THR 41 4.803 14.299 -0.070
165 H LEU 42 H LEU 42 5.765 16.161 -2.049
166 HA LEU 42 HA LEU 42 3.491 15.660 -3.830
167 HB2 LEU 42 1HB LEU 42 6.383 15.571 -3.859
168 HB3 LEU 42 2HB LEU 42 5.651 14.568 -5.133
169 HG LEU 42 HG LEU 42 4.321 16.721 -5.736
170 HD11 LEU 42 1HD1 LEU 42 5.574 18.833 -5.223
171 HD12 LEU 42 2HD1 LEU 42 5.025 18.028 -3.734
172 HD13 LEU 42 3HD1 LEU 42 6.725 17.894 -4.244
173 HD21 LEU 42 3HD2 LEU 42 5.974 15.700 -7.187
174 HD22 LEU 42 1HD2 LEU 42 6.132 17.471 -7.238
175 HD23 LEU 42 2HD2 LEU 42 7.291 16.501 -6.298
176 H PHE 43 H PHE 43 2.711 13.761 -4.592
177 HA PHE 43 HA PHE 43 4.055 11.240 -3.890
178 HB2 PHE 43 1HB PHE 43 2.112 10.233 -2.795
179 HB3 PHE 43 2HB PHE 43 2.603 11.682 -1.890
180 HD1 PHE 43 HD2 PHE 43 1.252 13.692 -1.928
181 HD2 PHE 43 HD1 PHE 43 0.029 10.126 -3.938
182 HE1 PHE 43 HE2 PHE 43 -1.053 14.571 -2.078
183 HE2 PHE 43 HE1 PHE 43 -2.278 11.003 -4.092
184 HZ PHE 43 HZ PHE 43 -2.819 13.226 -3.162
185 H SER 44 H SER 44 3.329 9.443 -5.050
186 HA SER 44 HA SER 44 1.345 9.973 -7.269
187 HB2 SER 44 1HB SER 44 2.684 9.253 -8.926
188 HB3 SER 44 2HB SER 44 3.563 10.527 -8.048
189 HG SER 44 HG SER 44 3.949 7.729 -7.763
190 H THR 45 H THR 45 0.884 7.909 -8.438
191 HA THR 45 HA THR 45 1.206 5.483 -6.723
192 HB THR 45 HB THR 45 -1.415 6.386 -7.989
193 HG1 THR 45 HG1 THR 45 -1.068 7.545 -6.104
194 HG21 THR 45 3HG2 THR 45 -0.726 3.982 -6.253
195 HG22 THR 45 1HG2 THR 45 -2.353 4.417 -6.828
196 HG23 THR 45 2HG2 THR 45 -1.095 3.936 -7.993
197 H TPO 46 H TPO 46 1.792 3.740 -7.748
198 HA TPO 46 HA TPO 46 2.016 3.886 -10.705
199 HB TPO 46 HB TPO 46 3.493 1.999 -10.540
200 HG21 TPO 46 1HG2 TPO 46 5.203 2.801 -8.948
201 HG22 TPO 46 2HG2 TPO 46 4.477 4.156 -9.845
202 HG23 TPO 46 3HG2 TPO 46 3.988 3.837 -8.165
203 HA PRO 47 HA PRO 47 -1.214 1.307 -11.900
204 HB2 PRO 47 1HB PRO 47 0.827 -0.597 -13.130
205 HB3 PRO 47 2HB PRO 47 -0.574 0.166 -13.898
206 HG2 PRO 47 1HG PRO 47 1.866 1.098 -14.424
207 HG3 PRO 47 2HG PRO 47 0.537 2.241 -14.180
208 HD2 PRO 47 1HD PRO 47 2.772 1.483 -12.261
209 HD3 PRO 47 2HD PRO 47 2.034 3.065 -12.535
210 H GLY 48 H GLY 48 1.506 -0.254 -10.323
211 HA2 GLY 48 1HA GLY 48 0.181 -2.724 -9.739
212 HA3 GLY 48 2HA GLY 48 1.572 -2.045 -8.861
213 H GLY 49 H GLY 49 0.040 0.468 -8.310
214 HA2 GLY 49 1HA GLY 49 -2.053 0.985 -7.112
215 HA3 GLY 49 2HA GLY 49 -1.924 -0.602 -6.321
216 H THR 50 H THR 50 1.145 0.111 -6.320
217 HA THR 50 HA THR 50 1.209 0.976 -3.560
218 HB THR 50 HB THR 50 3.463 0.903 -5.610
219 HG1 THR 50 HG1 THR 50 3.086 -1.184 -5.414
220 HG21 THR 50 3HG2 THR 50 3.493 0.916 -2.566
221 HG22 THR 50 1HG2 THR 50 4.919 0.767 -3.620
222 HG23 THR 50 2HG2 THR 50 3.967 2.271 -3.616
223 H ARG 51 H ARG 51 1.226 2.876 -2.667
224 HA ARG 51 HA ARG 51 1.476 5.275 -4.417
225 HB2 ARG 51 1HB ARG 51 -0.435 5.038 -2.893
226 HB3 ARG 51 2HB ARG 51 0.708 5.178 -1.537
227 HG2 ARG 51 1HG ARG 51 1.338 7.409 -2.234
228 HG3 ARG 51 2HG ARG 51 0.342 7.270 -3.702
229 HD2 ARG 51 1HD ARG 51 -0.802 8.632 -2.175
230 HD3 ARG 51 2HD ARG 51 -1.640 7.064 -2.235
231 HE ARG 51 HE ARG 51 0.115 7.137 0.101
232 HH11 ARG 51 1HH1 ARG 51 -2.882 8.489 -1.060
233 HH12 ARG 51 2HH1 ARG 51 -3.467 8.621 0.587
234 HH21 ARG 51 1HH2 ARG 51 -0.538 7.291 1.993
235 HH22 ARG 51 2HH2 ARG 51 -2.131 7.940 2.329
236 H ILE 52 H ILE 52 3.224 6.414 -4.584
237 HA ILE 52 HA ILE 52 5.418 5.960 -2.585
238 HB ILE 52 HB ILE 52 5.515 7.140 -5.400
239 HG12 ILE 52 1HG1 ILE 52 6.546 4.492 -4.424
240 HG13 ILE 52 2HG1 ILE 52 5.006 4.729 -5.282
241 HG21 ILE 52 1HG2 ILE 52 7.966 7.003 -5.106
242 HG22 ILE 52 2HG2 ILE 52 7.233 8.066 -3.883
243 HG23 ILE 52 3HG2 ILE 52 7.733 6.417 -3.441
244 HD11 ILE 52 3HD1 ILE 52 7.769 5.371 -6.373
245 HD12 ILE 52 1HD1 ILE 52 6.774 3.966 -6.820
246 HD13 ILE 52 2HD1 ILE 52 6.229 5.610 -7.233
247 H ILE 53 H ILE 53 5.778 7.335 -1.101
248 HA ILE 53 HA ILE 53 4.796 10.139 -1.455
249 HB ILE 53 HB ILE 53 5.913 8.764 1.030
250 HG12 ILE 53 1HG1 ILE 53 3.934 7.628 0.362
251 HG13 ILE 53 2HG1 ILE 53 3.631 8.612 1.812
252 HG21 ILE 53 1HG2 ILE 53 4.876 10.672 2.210
253 HG22 ILE 53 2HG2 ILE 53 6.086 11.230 1.031
254 HG23 ILE 53 3HG2 ILE 53 4.352 11.352 0.652
255 HD11 ILE 53 3HD1 ILE 53 2.834 9.340 -1.027
256 HD12 ILE 53 1HD1 ILE 53 1.739 8.741 0.240
257 HD13 ILE 53 2HD1 ILE 53 2.532 10.324 0.424
258 H TYR 54 H TYR 54 5.993 11.798 -1.808
259 HA TYR 54 HA TYR 54 8.941 11.285 -1.963
260 HB2 TYR 54 1HB TYR 54 7.215 13.309 -3.401
261 HB3 TYR 54 2HB TYR 54 8.974 13.108 -3.587
262 HD1 TYR 54 HD2 TYR 54 9.837 10.908 -4.529
263 HD2 TYR 54 HD1 TYR 54 5.717 11.994 -4.679
264 HE1 TYR 54 HE2 TYR 54 9.470 9.226 -6.303
265 HE2 TYR 54 HE1 TYR 54 5.330 10.314 -6.457
266 HH TYR 54 HH TYR 54 6.244 8.666 -7.729
267 H ASP 55 H ASP 55 9.823 11.891 -0.114
268 HA ASP 55 HA ASP 55 8.775 14.237 1.333
269 HB2 ASP 55 1HB ASP 55 9.562 12.087 2.539
270 HB3 ASP 55 2HB ASP 55 11.132 12.530 1.823
271 H ARG 56 H ARG 56 9.258 16.170 0.657
272 HA ARG 56 HA ARG 56 11.697 16.790 -0.792
273 HB2 ARG 56 1HB ARG 56 9.524 17.961 -1.014
274 HB3 ARG 56 2HB ARG 56 9.891 18.748 0.538
275 HG2 ARG 56 1HG ARG 56 12.057 19.542 -0.526
276 HG3 ARG 56 2HG ARG 56 11.390 18.986 -2.080
277 HD2 ARG 56 1HD ARG 56 10.153 21.041 -0.277
278 HD3 ARG 56 2HD ARG 56 11.132 21.374 -1.724
279 HE ARG 56 HE ARG 56 9.159 20.615 -3.087
280 HH11 ARG 56 1HH1 ARG 56 8.542 20.486 0.343
281 HH12 ARG 56 2HH1 ARG 56 6.818 20.427 0.037
282 HH21 ARG 56 1HH2 ARG 56 7.187 20.540 -3.453
283 HH22 ARG 56 2HH2 ARG 56 6.043 20.456 -2.128
284 H LYS 57 H LYS 57 13.563 16.442 0.183
285 HA LYS 57 HA LYS 57 14.067 16.865 2.976
286 HB2 LYS 57 1HB LYS 57 15.444 15.435 1.569
287 HB3 LYS 57 2HB LYS 57 15.947 16.846 0.608
288 HG2 LYS 57 1HG LYS 57 17.073 17.798 2.567
289 HG3 LYS 57 2HG LYS 57 16.539 16.419 3.557
290 HD2 LYS 57 1HD LYS 57 17.834 14.883 2.166
291 HD3 LYS 57 2HD LYS 57 18.321 16.227 1.105
292 HE2 LYS 57 1HE LYS 57 19.469 17.303 2.993
293 HE3 LYS 57 2HE LYS 57 18.982 15.962 4.055
294 HZ1 LYS 57 3HZ LYS 57 20.724 15.726 1.685
295 HZ2 LYS 57 1HZ LYS 57 21.231 15.692 3.255
296 HZ3 LYS 57 2HZ LYS 57 20.273 14.482 2.670
297 H PHE 58 H PHE 58 14.783 18.911 0.139
298 HA PHE 58 HA PHE 58 15.616 21.087 1.999
299 HB2 PHE 58 1HB PHE 58 15.824 20.825 -1.033
300 HB3 PHE 58 2HB PHE 58 16.422 22.199 -0.075
301 HD1 PHE 58 HD2 PHE 58 18.202 21.758 1.661
302 HD2 PHE 58 HD1 PHE 58 17.135 18.959 -1.385
303 HE1 PHE 58 HE2 PHE 58 20.373 20.613 1.957
304 HE2 PHE 58 HE1 PHE 58 19.303 17.809 -1.089
305 HZ PHE 58 HZ PHE 58 20.923 18.636 0.581
306 H LEU 59 H LEU 59 15.087 23.332 0.718
307 HA LEU 59 HA LEU 59 12.112 23.455 0.766
308 HB2 LEU 59 1HB LEU 59 14.246 25.486 0.702
309 HB3 LEU 59 2HB LEU 59 12.541 25.971 0.850
310 HG LEU 59 HG LEU 59 14.184 24.411 2.881
311 HD11 LEU 59 1HD1 LEU 59 13.777 26.417 4.332
312 HD12 LEU 59 2HD1 LEU 59 14.644 26.861 2.843
313 HD13 LEU 59 3HD1 LEU 59 12.901 27.190 2.990
314 HD21 LEU 59 3HD2 LEU 59 11.908 23.581 2.815
315 HD22 LEU 59 1HD2 LEU 59 12.175 24.504 4.313
316 HD23 LEU 59 2HD2 LEU 59 11.269 25.236 2.966
317 H LEU 60 H LEU 60 13.875 22.414 -1.485
318 HA LEU 60 HA LEU 60 13.332 24.392 -3.616
319 HB2 LEU 60 1HB LEU 60 14.428 21.656 -3.620
320 HB3 LEU 60 2HB LEU 60 14.507 22.679 -5.072
321 HG LEU 60 HG LEU 60 15.958 23.123 -2.435
322 HD11 LEU 60 1HD1 LEU 60 18.014 22.818 -3.840
323 HD12 LEU 60 2HD1 LEU 60 16.974 21.376 -3.894
324 HD13 LEU 60 3HD1 LEU 60 16.981 22.519 -5.258
325 HD21 LEU 60 3HD2 LEU 60 15.231 25.240 -3.368
326 HD22 LEU 60 1HD2 LEU 60 16.994 25.076 -3.537
327 HD23 LEU 60 2HD2 LEU 60 15.937 24.820 -4.947
328 H ASP 61 H ASP 61 11.159 24.542 -3.812
329 HA ASP 61 HA ASP 61 9.609 22.064 -4.333
330 HB2 ASP 61 1HB ASP 61 7.628 23.487 -4.127
331 HB3 ASP 61 2HB ASP 61 8.869 23.838 -2.897
332 H ARG 62 H ARG 62 7.756 22.686 -6.080
333 HA ARG 62 HA ARG 62 9.140 22.474 -8.612
334 HB2 ARG 62 1HB ARG 62 6.249 22.864 -7.988
335 HB3 ARG 62 2HB ARG 62 6.929 22.621 -9.614
336 HG2 ARG 62 1HG ARG 62 7.815 20.426 -8.890
337 HG3 ARG 62 2HG ARG 62 7.064 20.670 -7.294
338 HD2 ARG 62 1HD ARG 62 5.578 20.542 -9.898
339 HD3 ARG 62 2HD ARG 62 5.817 19.176 -8.782
340 HE ARG 62 HE ARG 62 4.443 21.137 -7.245
341 HH11 ARG 62 1HH1 ARG 62 3.807 19.517 -10.267
342 HH12 ARG 62 2HH1 ARG 62 2.083 19.621 -9.967
343 HH21 ARG 62 1HH2 ARG 62 2.472 21.272 -6.890
344 HH22 ARG 62 2HH2 ARG 62 1.320 20.623 -8.043
Start of MODEL 19
1 H2 PRO 18 1H PRO 18 0.025 -0.625 -1.022
2 H3 PRO 18 2H PRO 18 -0.711 -0.172 0.204
3 HA PRO 18 HA PRO 18 1.285 0.064 1.496
4 HB2 PRO 18 1HB PRO 18 3.343 -0.578 -0.198
5 HB3 PRO 18 2HB PRO 18 2.211 -1.830 0.330
6 HG2 PRO 18 1HG PRO 18 2.248 -0.269 -2.275
7 HG3 PRO 18 2HG PRO 18 2.022 -2.005 -2.025
8 HD2 PRO 18 1HD PRO 18 -0.108 -0.306 -2.416
9 HD3 PRO 18 2HD PRO 18 -0.250 -1.755 -1.414
10 H THR 19 H THR 19 3.025 1.382 1.950
11 HA THR 19 HA THR 19 3.053 3.878 0.281
12 HB THR 19 HB THR 19 3.480 3.585 3.285
13 HG1 THR 19 HG1 THR 19 1.498 4.801 3.339
14 HG21 THR 19 3HG2 THR 19 3.400 6.047 1.494
15 HG22 THR 19 1HG2 THR 19 3.540 6.055 3.267
16 HG23 THR 19 2HG2 THR 19 4.852 5.376 2.275
17 H ARG 20 H ARG 20 4.858 4.494 -0.595
18 HA ARG 20 HA ARG 20 7.400 3.266 0.426
19 HB2 ARG 20 1HB ARG 20 6.870 2.477 -1.747
20 HB3 ARG 20 2HB ARG 20 6.727 4.146 -2.346
21 HG2 ARG 20 1HG ARG 20 9.103 4.527 -1.895
22 HG3 ARG 20 2HG ARG 20 9.255 2.873 -1.253
23 HD2 ARG 20 1HD ARG 20 8.725 1.977 -3.432
24 HD3 ARG 20 2HD ARG 20 8.560 3.629 -4.074
25 HE ARG 20 HE ARG 20 11.275 3.284 -3.077
26 HH11 ARG 20 1HH1 ARG 20 9.241 2.170 -5.681
27 HH12 ARG 20 2HH1 ARG 20 10.648 1.981 -6.708
28 HH21 ARG 20 1HH2 ARG 20 12.897 3.065 -4.237
29 HH22 ARG 20 2HH2 ARG 20 12.734 2.490 -5.885
30 H THR 21 H THR 21 8.852 4.509 1.287
31 HA THR 21 HA THR 21 8.448 7.455 1.134
32 HB THR 21 HB THR 21 10.285 5.784 2.902
33 HG1 THR 21 HG1 THR 21 8.727 6.403 4.515
34 HG21 THR 21 3HG2 THR 21 9.575 8.743 2.973
35 HG22 THR 21 1HG2 THR 21 10.578 7.885 4.166
36 HG23 THR 21 2HG2 THR 21 11.146 8.063 2.489
37 H VAL 22 H VAL 22 9.404 8.536 -0.380
38 HA VAL 22 HA VAL 22 12.273 7.859 -1.015
39 HB VAL 22 HB VAL 22 10.126 8.853 -2.936
40 HG11 VAL 22 1HG1 VAL 22 11.914 8.675 -4.634
41 HG12 VAL 22 2HG1 VAL 22 12.351 9.842 -3.364
42 HG13 VAL 22 3HG1 VAL 22 13.073 8.215 -3.365
43 HG21 VAL 22 3HG2 VAL 22 9.866 6.493 -2.458
44 HG22 VAL 22 1HG2 VAL 22 10.478 6.739 -4.110
45 HG23 VAL 22 2HG2 VAL 22 11.586 6.210 -2.822
46 H ALA 23 H ALA 23 13.646 9.317 -0.532
47 HA ALA 23 HA ALA 23 12.726 12.082 -0.058
48 HB1 ALA 23 3HB ALA 23 15.466 10.806 0.244
49 HB2 ALA 23 1HB ALA 23 15.029 12.459 0.734
50 HB3 ALA 23 2HB ALA 23 14.279 11.063 1.545
51 H ILE 24 H ILE 24 13.265 13.859 -1.202
52 HA ILE 24 HA ILE 24 14.712 13.416 -3.793
53 HB ILE 24 HB ILE 24 13.017 14.803 -4.935
54 HG12 ILE 24 1HG1 ILE 24 11.414 14.653 -2.400
55 HG13 ILE 24 2HG1 ILE 24 12.405 16.050 -2.880
56 HG21 ILE 24 1HG2 ILE 24 11.144 13.191 -4.938
57 HG22 ILE 24 2HG2 ILE 24 12.711 12.351 -4.947
58 HG23 ILE 24 3HG2 ILE 24 11.770 12.461 -3.441
59 HD11 ILE 24 3HD1 ILE 24 10.057 14.915 -4.440
60 HD12 ILE 24 1HD1 ILE 24 10.036 16.399 -3.460
61 HD13 ILE 24 2HD1 ILE 24 11.049 16.311 -4.922
62 H SER 25 H SER 25 15.464 15.293 -4.850
63 HA SER 25 HA SER 25 16.469 17.335 -2.893
64 HB2 SER 25 1HB SER 25 17.998 17.940 -4.493
65 HB3 SER 25 2HB SER 25 18.035 16.182 -4.233
66 HG SER 25 HG SER 25 18.133 16.754 -6.449
67 H ASP 26 H ASP 26 14.280 16.919 -5.628
68 HA ASP 26 HA ASP 26 13.017 19.480 -5.139
69 HB2 ASP 26 1HB ASP 26 15.253 19.960 -6.601
70 HB3 ASP 26 2HB ASP 26 14.182 19.191 -7.798
71 H ALA 27 H ALA 27 11.138 19.824 -6.339
72 HA ALA 27 HA ALA 27 10.027 17.322 -7.453
73 HB1 ALA 27 3HB ALA 27 8.731 20.012 -6.895
74 HB2 ALA 27 1HB ALA 27 7.885 18.540 -7.427
75 HB3 ALA 27 2HB ALA 27 8.681 18.584 -5.835
76 H ALA 28 H ALA 28 11.469 20.221 -8.546
77 HA ALA 28 HA ALA 28 10.139 20.472 -11.074
78 HB1 ALA 28 3HB ALA 28 12.961 21.257 -10.266
79 HB2 ALA 28 1HB ALA 28 12.108 21.802 -11.729
80 HB3 ALA 28 2HB ALA 28 11.507 22.273 -10.122
81 H GLN 29 H GLN 29 12.493 18.243 -9.877
82 HA GLN 29 HA GLN 29 13.302 17.418 -12.610
83 HB2 GLN 29 1HB GLN 29 14.055 16.304 -9.899
84 HB3 GLN 29 2HB GLN 29 14.784 15.873 -11.464
85 HG2 GLN 29 1HG GLN 29 15.216 18.635 -10.029
86 HG3 GLN 29 2HG GLN 29 16.149 17.151 -10.332
87 HE21 GLN 29 2HE2 GLN 29 15.539 20.259 -11.378
88 HE22 GLN 29 1HE2 GLN 29 16.114 20.126 -13.007
89 H LEU 30 H LEU 30 10.671 16.912 -10.756
90 HA LEU 30 HA LEU 30 10.421 14.044 -11.587
91 HB2 LEU 30 1HB LEU 30 8.977 15.689 -9.612
92 HB3 LEU 30 2HB LEU 30 8.576 13.971 -9.834
93 HG LEU 30 HG LEU 30 11.191 15.108 -8.768
94 HD11 LEU 30 1HD1 LEU 30 10.516 13.948 -6.649
95 HD12 LEU 30 2HD1 LEU 30 9.314 15.168 -7.128
96 HD13 LEU 30 3HD1 LEU 30 8.998 13.443 -7.426
97 HD21 LEU 30 3HD2 LEU 30 11.590 13.130 -10.115
98 HD22 LEU 30 1HD2 LEU 30 11.841 12.754 -8.393
99 HD23 LEU 30 2HD2 LEU 30 10.348 12.230 -9.211
100 HA PRO 31 HA PRO 31 7.218 14.860 -14.509
101 HB2 PRO 31 1HB PRO 31 5.688 12.701 -13.009
102 HB3 PRO 31 2HB PRO 31 6.039 12.804 -14.739
103 HG2 PRO 31 1HG PRO 31 7.393 11.072 -13.224
104 HG3 PRO 31 2HG PRO 31 8.243 11.979 -14.482
105 HD2 PRO 31 1HD PRO 31 8.227 12.455 -11.475
106 HD3 PRO 31 2HD PRO 31 9.574 12.590 -12.612
107 H HIS 32 H HIS 32 5.333 15.925 -14.699
108 HA HIS 32 HA HIS 32 4.688 17.385 -12.184
109 HB2 HIS 32 1HB HIS 32 4.182 18.073 -15.115
110 HB3 HIS 32 2HB HIS 32 3.722 19.093 -13.731
111 HD1 HIS 32 HD1 HIS 32 6.064 19.403 -12.057
112 HD2 HIS 32 HD2 HIS 32 6.555 19.043 -16.227
113 HE1 HIS 32 HE1 HIS 32 8.206 20.459 -12.578
114 H ASP 33 H ASP 33 3.480 14.811 -13.837
115 HA ASP 33 HA ASP 33 0.637 15.427 -13.322
116 HB2 ASP 33 1HB ASP 33 0.208 13.183 -14.246
117 HB3 ASP 33 2HB ASP 33 1.402 14.134 -15.163
118 H TYR 34 H TYR 34 3.158 14.845 -11.346
119 HA TYR 34 HA TYR 34 1.921 13.042 -9.436
120 HB2 TYR 34 1HB TYR 34 4.050 15.172 -9.202
121 HB3 TYR 34 2HB TYR 34 3.516 14.152 -7.842
122 HD1 TYR 34 HD1 TYR 34 3.343 12.329 -10.867
123 HD2 TYR 34 HD2 TYR 34 6.118 13.673 -7.922
124 HE1 TYR 34 HE1 TYR 34 4.931 10.562 -11.570
125 HE2 TYR 34 HE2 TYR 34 7.715 11.916 -8.610
126 HH TYR 34 HH TYR 34 6.966 9.610 -11.234
127 H CYS 35 H CYS 35 1.190 13.629 -7.303
128 HA CYS 35 HA CYS 35 -0.608 16.069 -7.423
129 HB2 CYS 35 1HB CYS 35 -0.839 13.311 -6.138
130 HB3 CYS 35 2HB CYS 35 -2.071 14.595 -6.072
131 HG CYS 35 HG CYS 35 -2.843 12.696 -7.571
132 H THR 36 H THR 36 -1.053 17.099 -5.410
133 HA THR 36 HA THR 36 1.027 16.675 -3.296
134 HB THR 36 HB THR 36 0.122 19.367 -4.402
135 HG1 THR 36 HG1 THR 36 2.347 19.465 -5.076
136 HG21 THR 36 3HG2 THR 36 2.171 18.642 -2.271
137 HG22 THR 36 1HG2 THR 36 1.839 20.280 -2.880
138 HG23 THR 36 2HG2 THR 36 0.587 19.395 -1.975
139 H TPO 37 H TPO 37 0.384 16.740 -1.272
140 HA TPO 37 HA TPO 37 -2.519 16.908 -0.785
141 HB TPO 37 HB TPO 37 -2.036 16.098 1.423
142 HG21 TPO 37 1HG2 TPO 37 -0.700 14.069 0.971
143 HG22 TPO 37 2HG2 TPO 37 -1.821 14.411 -0.370
144 HG23 TPO 37 3HG2 TPO 37 -0.093 14.804 -0.531
145 HA PRO 38 HA PRO 38 -3.022 20.912 0.749
146 HB2 PRO 38 1HB PRO 38 -3.938 19.699 3.393
147 HB3 PRO 38 2HB PRO 38 -4.773 20.878 2.374
148 HG2 PRO 38 1HG PRO 38 -5.602 18.347 2.380
149 HG3 PRO 38 2HG PRO 38 -5.532 19.228 0.849
150 HD2 PRO 38 1HD PRO 38 -3.613 17.128 1.926
151 HD3 PRO 38 2HD PRO 38 -4.167 17.377 0.266
152 H GLY 39 H GLY 39 -1.336 18.640 2.844
153 HA2 GLY 39 1HA GLY 39 -0.123 20.641 4.516
154 HA3 GLY 39 2HA GLY 39 0.443 18.969 4.287
155 H GLY 40 H GLY 40 0.644 19.290 1.358
156 HA2 GLY 40 1HA GLY 40 1.834 20.721 -0.210
157 HA3 GLY 40 2HA GLY 40 2.816 21.330 1.143
158 H THR 41 H THR 41 1.988 17.934 0.664
159 HA THR 41 HA THR 41 4.879 17.380 0.081
160 HB THR 41 HB THR 41 2.780 15.586 1.372
161 HG1 THR 41 HG1 THR 41 3.439 16.808 3.012
162 HG21 THR 41 3HG2 THR 41 5.744 15.142 0.840
163 HG22 THR 41 1HG2 THR 41 4.670 14.037 1.731
164 HG23 THR 41 2HG2 THR 41 4.404 14.332 -0.005
165 H LEU 42 H LEU 42 5.452 16.514 -1.745
166 HA LEU 42 HA LEU 42 3.428 15.908 -3.764
167 HB2 LEU 42 1HB LEU 42 5.597 16.961 -4.047
168 HB3 LEU 42 2HB LEU 42 6.446 15.404 -3.913
169 HG LEU 42 HG LEU 42 5.009 14.580 -5.832
170 HD11 LEU 42 1HD1 LEU 42 3.995 16.349 -7.294
171 HD12 LEU 42 2HD1 LEU 42 3.249 16.338 -5.679
172 HD13 LEU 42 3HD1 LEU 42 4.453 17.581 -6.095
173 HD21 LEU 42 3HD2 LEU 42 7.336 15.188 -6.144
174 HD22 LEU 42 1HD2 LEU 42 6.384 15.682 -7.565
175 HD23 LEU 42 2HD2 LEU 42 6.890 16.897 -6.365
176 H PHE 43 H PHE 43 2.747 14.033 -4.563
177 HA PHE 43 HA PHE 43 4.126 11.527 -3.826
178 HB2 PHE 43 1HB PHE 43 2.182 10.466 -2.850
179 HB3 PHE 43 2HB PHE 43 2.461 11.977 -1.958
180 HD1 PHE 43 HD2 PHE 43 0.992 13.900 -2.286
181 HD2 PHE 43 HD1 PHE 43 0.225 10.121 -4.125
182 HE1 PHE 43 HE2 PHE 43 -1.346 14.582 -2.708
183 HE2 PHE 43 HE1 PHE 43 -2.114 10.801 -4.550
184 HZ PHE 43 HZ PHE 43 -2.899 13.032 -3.842
185 H SER 44 H SER 44 3.293 9.657 -4.956
186 HA SER 44 HA SER 44 1.408 10.153 -7.233
187 HB2 SER 44 1HB SER 44 2.757 9.666 -8.931
188 HB3 SER 44 2HB SER 44 3.621 10.888 -7.971
189 HG SER 44 HG SER 44 4.083 8.089 -7.931
190 H THR 45 H THR 45 0.478 8.280 -7.976
191 HA THR 45 HA THR 45 1.233 5.763 -6.523
192 HB THR 45 HB THR 45 -1.498 6.614 -7.575
193 HG1 THR 45 HG1 THR 45 -0.846 7.668 -5.619
194 HG21 THR 45 3HG2 THR 45 -0.619 4.152 -6.016
195 HG22 THR 45 1HG2 THR 45 -2.294 4.562 -6.455
196 HG23 THR 45 2HG2 THR 45 -1.109 4.178 -7.726
197 H TPO 46 H TPO 46 1.880 4.100 -7.630
198 HA TPO 46 HA TPO 46 1.928 4.331 -10.583
199 HB TPO 46 HB TPO 46 3.491 2.503 -10.545
200 HG21 TPO 46 1HG2 TPO 46 5.238 3.335 -9.010
201 HG22 TPO 46 2HG2 TPO 46 4.412 4.682 -9.830
202 HG23 TPO 46 3HG2 TPO 46 4.017 4.293 -8.139
203 HA PRO 47 HA PRO 47 -1.232 1.646 -11.731
204 HB2 PRO 47 1HB PRO 47 0.838 -0.135 -13.089
205 HB3 PRO 47 2HB PRO 47 -0.623 0.583 -13.782
206 HG2 PRO 47 1HG PRO 47 1.751 1.635 -14.376
207 HG3 PRO 47 2HG PRO 47 0.386 2.712 -14.050
208 HD2 PRO 47 1HD PRO 47 2.727 2.004 -12.241
209 HD3 PRO 47 2HD PRO 47 1.909 3.559 -12.441
210 H GLY 48 H GLY 48 1.610 0.157 -10.304
211 HA2 GLY 48 1HA GLY 48 0.406 -2.374 -9.726
212 HA3 GLY 48 2HA GLY 48 1.801 -1.658 -8.885
213 H GLY 49 H GLY 49 0.210 0.777 -8.209
214 HA2 GLY 49 1HA GLY 49 -1.855 1.206 -6.937
215 HA3 GLY 49 2HA GLY 49 -1.675 -0.406 -6.208
216 H THR 50 H THR 50 1.390 0.546 -6.350
217 HA THR 50 HA THR 50 1.529 1.222 -3.528
218 HB THR 50 HB THR 50 3.681 1.392 -5.681
219 HG1 THR 50 HG1 THR 50 3.416 -0.721 -5.563
220 HG21 THR 50 3HG2 THR 50 3.864 1.278 -2.645
221 HG22 THR 50 1HG2 THR 50 5.241 1.265 -3.772
222 HG23 THR 50 2HG2 THR 50 4.200 2.704 -3.653
223 H ARG 51 H ARG 51 1.488 3.067 -2.525
224 HA ARG 51 HA ARG 51 1.501 5.565 -4.157
225 HB2 ARG 51 1HB ARG 51 -0.379 5.237 -2.713
226 HB3 ARG 51 2HB ARG 51 0.710 5.137 -1.309
227 HG2 ARG 51 1HG ARG 51 1.420 7.445 -1.666
228 HG3 ARG 51 2HG ARG 51 0.394 7.553 -3.118
229 HD2 ARG 51 1HD ARG 51 -1.576 7.291 -1.765
230 HD3 ARG 51 2HD ARG 51 -0.569 7.128 -0.308
231 HE ARG 51 HE ARG 51 -0.116 9.748 -1.535
232 HH11 ARG 51 1HH1 ARG 51 -2.492 7.998 0.324
233 HH12 ARG 51 2HH1 ARG 51 -3.056 9.500 1.028
234 HH21 ARG 51 1HH2 ARG 51 -0.756 11.477 -0.743
235 HH22 ARG 51 2HH2 ARG 51 -2.069 11.486 0.421
236 H ILE 52 H ILE 52 3.297 6.597 -4.439
237 HA ILE 52 HA ILE 52 5.490 6.278 -2.423
238 HB ILE 52 HB ILE 52 5.520 7.428 -5.252
239 HG12 ILE 52 1HG1 ILE 52 6.673 4.843 -4.244
240 HG13 ILE 52 2HG1 ILE 52 5.113 4.998 -5.084
241 HG21 ILE 52 1HG2 ILE 52 7.976 7.397 -4.980
242 HG22 ILE 52 2HG2 ILE 52 7.210 8.451 -3.767
243 HG23 ILE 52 3HG2 ILE 52 7.784 6.831 -3.304
244 HD11 ILE 52 3HD1 ILE 52 7.830 5.741 -6.226
245 HD12 ILE 52 1HD1 ILE 52 6.891 4.286 -6.633
246 HD13 ILE 52 2HD1 ILE 52 6.268 5.896 -7.066
247 H ILE 53 H ILE 53 5.862 7.682 -0.966
248 HA ILE 53 HA ILE 53 4.852 10.476 -1.367
249 HB ILE 53 HB ILE 53 5.905 9.131 1.161
250 HG12 ILE 53 1HG1 ILE 53 3.924 8.013 0.463
251 HG13 ILE 53 2HG1 ILE 53 3.609 9.014 1.899
252 HG21 ILE 53 1HG2 ILE 53 4.870 11.070 2.292
253 HG22 ILE 53 2HG2 ILE 53 6.111 11.594 1.130
254 HG23 ILE 53 3HG2 ILE 53 4.387 11.733 0.713
255 HD11 ILE 53 3HD1 ILE 53 2.872 9.728 -0.961
256 HD12 ILE 53 1HD1 ILE 53 1.747 9.156 0.292
257 HD13 ILE 53 2HD1 ILE 53 2.558 10.729 0.476
258 H TYR 54 H TYR 54 6.068 12.112 -1.753
259 HA TYR 54 HA TYR 54 9.005 11.558 -1.897
260 HB2 TYR 54 1HB TYR 54 7.296 13.630 -3.289
261 HB3 TYR 54 2HB TYR 54 9.054 13.426 -3.482
262 HD1 TYR 54 HD2 TYR 54 9.901 11.213 -4.437
263 HD2 TYR 54 HD1 TYR 54 5.801 12.372 -4.616
264 HE1 TYR 54 HE2 TYR 54 9.525 9.565 -6.240
265 HE2 TYR 54 HE1 TYR 54 5.407 10.726 -6.425
266 HH TYR 54 HH TYR 54 6.307 9.080 -7.709
267 H ASP 55 H ASP 55 10.034 12.174 -0.158
268 HA ASP 55 HA ASP 55 9.121 14.584 1.315
269 HB2 ASP 55 1HB ASP 55 9.781 12.409 2.554
270 HB3 ASP 55 2HB ASP 55 11.362 12.726 1.798
271 H ARG 56 H ARG 56 9.782 16.490 0.757
272 HA ARG 56 HA ARG 56 12.137 16.922 -0.886
273 HB2 ARG 56 1HB ARG 56 10.205 18.335 -1.030
274 HB3 ARG 56 2HB ARG 56 10.492 18.896 0.634
275 HG2 ARG 56 1HG ARG 56 12.687 19.800 -0.085
276 HG3 ARG 56 2HG ARG 56 12.315 19.308 -1.755
277 HD2 ARG 56 1HD ARG 56 10.643 21.214 -0.158
278 HD3 ARG 56 2HD ARG 56 11.979 21.707 -1.225
279 HE ARG 56 HE ARG 56 9.304 20.835 -2.198
280 HH11 ARG 56 1HH1 ARG 56 12.635 21.433 -3.038
281 HH12 ARG 56 2HH1 ARG 56 12.195 21.545 -4.731
282 HH21 ARG 56 1HH2 ARG 56 8.783 20.968 -4.131
283 HH22 ARG 56 2HH2 ARG 56 9.997 21.282 -5.356
284 H LYS 57 H LYS 57 14.122 16.698 -0.256
285 HA LYS 57 HA LYS 57 14.952 16.572 2.477
286 HB2 LYS 57 1HB LYS 57 16.459 17.091 -0.086
287 HB3 LYS 57 2HB LYS 57 17.245 16.914 1.501
288 HG2 LYS 57 1HG LYS 57 16.354 14.635 1.700
289 HG3 LYS 57 2HG LYS 57 15.540 14.809 0.127
290 HD2 LYS 57 1HD LYS 57 17.728 15.127 -0.966
291 HD3 LYS 57 2HD LYS 57 18.537 14.935 0.608
292 HE2 LYS 57 1HE LYS 57 17.590 12.661 0.799
293 HE3 LYS 57 2HE LYS 57 16.834 12.855 -0.800
294 HZ1 LYS 57 3HZ LYS 57 19.733 12.910 -0.256
295 HZ2 LYS 57 1HZ LYS 57 18.909 11.654 -0.936
296 HZ3 LYS 57 2HZ LYS 57 19.033 13.090 -1.738
297 H PHE 58 H PHE 58 14.557 19.274 0.296
298 HA PHE 58 HA PHE 58 15.924 21.052 2.288
299 HB2 PHE 58 1HB PHE 58 15.279 21.559 -0.650
300 HB3 PHE 58 2HB PHE 58 16.165 22.650 0.440
301 HD1 PHE 58 HD2 PHE 58 18.404 22.044 1.241
302 HD2 PHE 58 HD1 PHE 58 16.333 19.738 -1.699
303 HE1 PHE 58 HE2 PHE 58 20.535 20.980 0.578
304 HE2 PHE 58 HE1 PHE 58 18.461 18.669 -2.363
305 HZ PHE 58 HZ PHE 58 20.563 19.290 -1.223
306 H LEU 59 H LEU 59 13.169 19.964 2.466
307 HA LEU 59 HA LEU 59 11.268 22.008 1.861
308 HB2 LEU 59 1HB LEU 59 10.777 19.789 2.402
309 HB3 LEU 59 2HB LEU 59 11.250 19.921 4.112
310 HG LEU 59 HG LEU 59 9.485 21.721 4.351
311 HD11 LEU 59 1HD1 LEU 59 7.669 21.737 2.620
312 HD12 LEU 59 2HD1 LEU 59 9.229 22.233 1.924
313 HD13 LEU 59 3HD1 LEU 59 8.612 20.588 1.643
314 HD21 LEU 59 3HD2 LEU 59 9.133 19.471 5.181
315 HD22 LEU 59 1HD2 LEU 59 7.613 20.119 4.519
316 HD23 LEU 59 2HD2 LEU 59 8.561 18.939 3.582
317 H LEU 60 H LEU 60 11.057 23.974 2.531
318 HA LEU 60 HA LEU 60 12.447 24.820 5.013
319 HB2 LEU 60 1HB LEU 60 10.943 26.228 2.904
320 HB3 LEU 60 2HB LEU 60 11.751 27.148 4.194
321 HG LEU 60 HG LEU 60 13.079 25.450 2.047
322 HD11 LEU 60 1HD1 LEU 60 14.072 27.638 1.329
323 HD12 LEU 60 2HD1 LEU 60 12.295 27.683 1.264
324 HD13 LEU 60 3HD1 LEU 60 13.156 28.459 2.615
325 HD21 LEU 60 3HD2 LEU 60 14.259 25.225 4.154
326 HD22 LEU 60 1HD2 LEU 60 15.219 26.207 3.021
327 HD23 LEU 60 2HD2 LEU 60 14.320 26.994 4.341
328 H ASP 61 H ASP 61 9.364 23.810 4.027
329 HA ASP 61 HA ASP 61 7.931 25.358 6.096
330 HB2 ASP 61 1HB ASP 61 6.842 24.705 3.837
331 HB3 ASP 61 2HB ASP 61 7.092 23.053 4.455
332 H ARG 62 H ARG 62 8.778 24.812 8.039
333 HA ARG 62 HA ARG 62 9.136 22.055 8.874
334 HB2 ARG 62 1HB ARG 62 10.402 23.877 9.815
335 HB3 ARG 62 2HB ARG 62 8.912 24.516 10.550
336 HG2 ARG 62 1HG ARG 62 8.682 22.489 11.897
337 HG3 ARG 62 2HG ARG 62 10.137 21.802 11.133
338 HD2 ARG 62 1HD ARG 62 11.469 23.586 12.096
339 HD3 ARG 62 2HD ARG 62 10.011 24.240 12.880
340 HE ARG 62 HE ARG 62 10.401 21.539 13.854
341 HH11 ARG 62 1HH1 ARG 62 11.999 24.633 14.028
342 HH12 ARG 62 2HH1 ARG 62 12.636 24.221 15.608
343 HH21 ARG 62 1HH2 ARG 62 11.129 21.049 15.658
344 HH22 ARG 62 2HH2 ARG 62 12.141 22.178 16.539
Start of MODEL 20
1 H2 PRO 18 1H PRO 18 -1.110 -0.124 0.205
2 H3 PRO 18 2H PRO 18 -0.591 -0.225 1.609
3 HA PRO 18 HA PRO 18 1.688 -0.394 0.914
4 HB2 PRO 18 1HB PRO 18 1.620 -0.180 -1.834
5 HB3 PRO 18 2HB PRO 18 0.998 -1.627 -1.028
6 HG2 PRO 18 1HG PRO 18 -0.529 0.767 -2.097
7 HG3 PRO 18 2HG PRO 18 -0.906 -0.954 -2.255
8 HD2 PRO 18 1HD PRO 18 -2.130 0.630 -0.365
9 HD3 PRO 18 2HD PRO 18 -1.825 -1.088 -0.077
10 H THR 19 H THR 19 2.951 1.105 1.583
11 HA THR 19 HA THR 19 2.961 3.699 0.078
12 HB THR 19 HB THR 19 3.340 3.339 3.081
13 HG1 THR 19 HG1 THR 19 1.383 4.593 3.141
14 HG21 THR 19 3HG2 THR 19 3.327 5.832 1.332
15 HG22 THR 19 1HG2 THR 19 3.451 5.807 3.107
16 HG23 THR 19 2HG2 THR 19 4.757 5.118 2.114
17 H ARG 20 H ARG 20 4.817 4.360 -0.673
18 HA ARG 20 HA ARG 20 7.292 2.998 0.344
19 HB2 ARG 20 1HB ARG 20 6.792 2.203 -1.825
20 HB3 ARG 20 2HB ARG 20 6.671 3.867 -2.443
21 HG2 ARG 20 1HG ARG 20 9.048 4.227 -1.975
22 HG3 ARG 20 2HG ARG 20 9.177 2.578 -1.317
23 HD2 ARG 20 1HD ARG 20 8.677 1.659 -3.482
24 HD3 ARG 20 2HD ARG 20 8.493 3.298 -4.149
25 HE ARG 20 HE ARG 20 11.203 3.069 -3.176
26 HH11 ARG 20 1HH1 ARG 20 9.213 1.617 -5.644
27 HH12 ARG 20 2HH1 ARG 20 10.629 1.364 -6.646
28 HH21 ARG 20 1HH2 ARG 20 12.835 2.780 -4.308
29 HH22 ARG 20 2HH2 ARG 20 12.695 2.026 -5.885
30 H THR 21 H THR 21 8.838 4.183 1.137
31 HA THR 21 HA THR 21 8.516 7.143 1.006
32 HB THR 21 HB THR 21 10.319 5.412 2.750
33 HG1 THR 21 HG1 THR 21 8.806 6.084 4.383
34 HG21 THR 21 3HG2 THR 21 9.714 8.393 2.828
35 HG22 THR 21 1HG2 THR 21 10.702 7.502 4.009
36 HG23 THR 21 2HG2 THR 21 11.253 7.659 2.324
37 H VAL 22 H VAL 22 9.500 8.207 -0.502
38 HA VAL 22 HA VAL 22 12.335 7.432 -1.172
39 HB VAL 22 HB VAL 22 10.203 8.510 -3.063
40 HG11 VAL 22 1HG1 VAL 22 11.970 8.305 -4.780
41 HG12 VAL 22 2HG1 VAL 22 12.449 9.446 -3.502
42 HG13 VAL 22 3HG1 VAL 22 13.129 7.802 -3.527
43 HG21 VAL 22 3HG2 VAL 22 9.887 6.152 -2.608
44 HG22 VAL 22 1HG2 VAL 22 10.489 6.401 -4.264
45 HG23 VAL 22 2HG2 VAL 22 11.595 5.830 -2.992
46 H ALA 23 H ALA 23 13.769 8.838 -0.708
47 HA ALA 23 HA ALA 23 12.945 11.606 -0.116
48 HB1 ALA 23 3HB ALA 23 15.658 10.249 0.036
49 HB2 ALA 23 1HB ALA 23 15.285 11.892 0.605
50 HB3 ALA 23 2HB ALA 23 14.527 10.485 1.388
51 H ILE 24 H ILE 24 13.455 13.404 -1.222
52 HA ILE 24 HA ILE 24 15.033 13.097 -3.752
53 HB ILE 24 HB ILE 24 13.397 14.541 -4.921
54 HG12 ILE 24 1HG1 ILE 24 11.669 14.221 -2.482
55 HG13 ILE 24 2HG1 ILE 24 12.617 15.673 -2.882
56 HG21 ILE 24 1HG2 ILE 24 11.560 12.903 -5.151
57 HG22 ILE 24 2HG2 ILE 24 13.140 12.089 -5.106
58 HG23 ILE 24 3HG2 ILE 24 12.098 12.089 -3.663
59 HD11 ILE 24 3HD1 ILE 24 10.380 14.491 -4.564
60 HD12 ILE 24 1HD1 ILE 24 10.259 15.940 -3.542
61 HD13 ILE 24 2HD1 ILE 24 11.328 15.942 -4.964
62 H SER 25 H SER 25 15.471 15.250 -4.763
63 HA SER 25 HA SER 25 16.696 16.968 -2.620
64 HB2 SER 25 1HB SER 25 18.073 17.817 -4.253
65 HB3 SER 25 2HB SER 25 18.128 16.039 -4.249
66 HG SER 25 HG SER 25 18.009 17.053 -6.358
67 H ASP 26 H ASP 26 14.339 16.988 -5.268
68 HA ASP 26 HA ASP 26 13.011 19.320 -4.201
69 HB2 ASP 26 1HB ASP 26 15.159 20.233 -5.580
70 HB3 ASP 26 2HB ASP 26 14.086 19.683 -6.891
71 H ALA 27 H ALA 27 11.080 19.846 -5.257
72 HA ALA 27 HA ALA 27 9.919 17.545 -6.645
73 HB1 ALA 27 3HB ALA 27 8.732 20.244 -5.915
74 HB2 ALA 27 1HB ALA 27 7.828 18.846 -6.540
75 HB3 ALA 27 2HB ALA 27 8.621 18.753 -4.950
76 H ALA 28 H ALA 28 11.317 20.591 -7.513
77 HA ALA 28 HA ALA 28 10.106 20.873 -10.097
78 HB1 ALA 28 3HB ALA 28 12.833 21.778 -9.110
79 HB2 ALA 28 1HB ALA 28 12.026 22.335 -10.595
80 HB3 ALA 28 2HB ALA 28 11.318 22.705 -9.005
81 H GLN 29 H GLN 29 12.472 18.695 -8.860
82 HA GLN 29 HA GLN 29 13.529 18.064 -11.559
83 HB2 GLN 29 1HB GLN 29 14.102 16.823 -8.859
84 HB3 GLN 29 2HB GLN 29 14.971 16.500 -10.379
85 HG2 GLN 29 1HG GLN 29 15.183 19.193 -8.774
86 HG3 GLN 29 2HG GLN 29 16.191 17.759 -9.075
87 HE21 GLN 29 2HE2 GLN 29 15.573 20.898 -9.999
88 HE22 GLN 29 1HE2 GLN 29 16.273 20.872 -11.583
89 H LEU 30 H LEU 30 10.812 17.303 -9.869
90 HA LEU 30 HA LEU 30 10.740 14.509 -10.950
91 HB2 LEU 30 1HB LEU 30 9.729 15.904 -8.647
92 HB3 LEU 30 2HB LEU 30 8.550 14.720 -9.256
93 HG LEU 30 HG LEU 30 10.366 12.971 -9.094
94 HD11 LEU 30 1HD1 LEU 30 12.301 13.497 -7.585
95 HD12 LEU 30 2HD1 LEU 30 12.307 14.535 -9.030
96 HD13 LEU 30 3HD1 LEU 30 11.735 15.180 -7.472
97 HD21 LEU 30 3HD2 LEU 30 8.603 13.125 -7.437
98 HD22 LEU 30 1HD2 LEU 30 10.136 12.678 -6.652
99 HD23 LEU 30 2HD2 LEU 30 9.525 14.345 -6.526
100 HA PRO 31 HA PRO 31 7.661 15.388 -13.939
101 HB2 PRO 31 1HB PRO 31 6.092 13.111 -12.667
102 HB3 PRO 31 2HB PRO 31 6.544 13.326 -14.364
103 HG2 PRO 31 1HG PRO 31 7.850 11.538 -12.875
104 HG3 PRO 31 2HG PRO 31 8.751 12.542 -14.018
105 HD2 PRO 31 1HD PRO 31 8.539 12.824 -10.995
106 HD3 PRO 31 2HD PRO 31 9.947 13.071 -12.037
107 H HIS 32 H HIS 32 5.764 16.420 -14.204
108 HA HIS 32 HA HIS 32 4.918 17.725 -11.663
109 HB2 HIS 32 1HB HIS 32 4.605 18.576 -14.578
110 HB3 HIS 32 2HB HIS 32 4.038 19.508 -13.171
111 HD1 HIS 32 HD1 HIS 32 6.264 19.735 -11.326
112 HD2 HIS 32 HD2 HIS 32 7.025 19.647 -15.471
113 HE1 HIS 32 HE1 HIS 32 8.418 20.846 -11.640
114 H ASP 33 H ASP 33 3.869 15.263 -13.607
115 HA ASP 33 HA ASP 33 0.990 15.781 -13.180
116 HB2 ASP 33 1HB ASP 33 0.656 13.616 -14.312
117 HB3 ASP 33 2HB ASP 33 1.866 14.668 -15.087
118 H TYR 34 H TYR 34 3.453 15.024 -11.160
119 HA TYR 34 HA TYR 34 2.070 13.114 -9.446
120 HB2 TYR 34 1HB TYR 34 4.308 15.087 -8.969
121 HB3 TYR 34 2HB TYR 34 3.683 13.968 -7.732
122 HD1 TYR 34 HD1 TYR 34 3.461 12.403 -10.871
123 HD2 TYR 34 HD2 TYR 34 6.301 13.422 -7.857
124 HE1 TYR 34 HE1 TYR 34 4.975 10.631 -11.710
125 HE2 TYR 34 HE2 TYR 34 7.825 11.657 -8.681
126 HH TYR 34 HH TYR 34 6.973 9.579 -11.460
127 H CYS 35 H CYS 35 1.414 13.629 -7.229
128 HA CYS 35 HA CYS 35 -0.354 16.094 -7.264
129 HB2 CYS 35 1HB CYS 35 -0.603 13.288 -6.092
130 HB3 CYS 35 2HB CYS 35 -1.813 14.583 -5.930
131 HG CYS 35 HG CYS 35 -2.648 12.776 -7.507
132 H THR 36 H THR 36 -0.493 17.322 -5.429
133 HA THR 36 HA THR 36 1.429 16.655 -3.221
134 HB THR 36 HB THR 36 0.675 19.413 -4.277
135 HG1 THR 36 HG1 THR 36 2.917 19.419 -4.897
136 HG21 THR 36 3HG2 THR 36 2.637 18.546 -2.117
137 HG22 THR 36 1HG2 THR 36 2.396 20.211 -2.695
138 HG23 THR 36 2HG2 THR 36 1.083 19.368 -1.840
139 H TPO 37 H TPO 37 0.749 16.669 -1.212
140 HA TPO 37 HA TPO 37 -2.145 16.990 -0.755
141 HB TPO 37 HB TPO 37 -1.732 16.099 1.440
142 HG21 TPO 37 1HG2 TPO 37 -0.523 14.005 0.941
143 HG22 TPO 37 2HG2 TPO 37 -1.609 14.451 -0.397
144 HG23 TPO 37 3HG2 TPO 37 0.142 14.740 -0.537
145 HA PRO 38 HA PRO 38 -2.444 20.969 0.907
146 HB2 PRO 38 1HB PRO 38 -3.452 19.723 3.501
147 HB3 PRO 38 2HB PRO 38 -4.212 20.978 2.513
148 HG2 PRO 38 1HG PRO 38 -5.178 18.497 2.432
149 HG3 PRO 38 2HG PRO 38 -5.043 19.421 0.930
150 HD2 PRO 38 1HD PRO 38 -3.251 17.187 1.958
151 HD3 PRO 38 2HD PRO 38 -3.777 17.515 0.302
152 H GLY 39 H GLY 39 -0.891 18.535 2.914
153 HA2 GLY 39 1HA GLY 39 0.392 20.417 4.680
154 HA3 GLY 39 2HA GLY 39 0.865 18.723 4.414
155 H GLY 40 H GLY 40 1.083 19.208 1.468
156 HA2 GLY 40 1HA GLY 40 2.409 20.576 -0.019
157 HA3 GLY 40 2HA GLY 40 3.393 21.091 1.371
158 H THR 41 H THR 41 2.389 17.765 0.732
159 HA THR 41 HA THR 41 5.254 17.079 0.157
160 HB THR 41 HB THR 41 3.086 15.362 1.440
161 HG1 THR 41 HG1 THR 41 3.803 16.413 3.146
162 HG21 THR 41 3HG2 THR 41 6.027 14.800 0.885
163 HG22 THR 41 1HG2 THR 41 4.912 13.731 1.766
164 HG23 THR 41 2HG2 THR 41 4.649 14.060 0.037
165 H LEU 42 H LEU 42 5.754 16.286 -1.717
166 HA LEU 42 HA LEU 42 3.672 15.741 -3.693
167 HB2 LEU 42 1HB LEU 42 5.849 16.772 -4.009
168 HB3 LEU 42 2HB LEU 42 6.678 15.199 -3.931
169 HG LEU 42 HG LEU 42 5.205 14.435 -5.833
170 HD11 LEU 42 1HD1 LEU 42 4.126 16.230 -7.214
171 HD12 LEU 42 2HD1 LEU 42 3.430 16.167 -5.578
172 HD13 LEU 42 3HD1 LEU 42 4.608 17.435 -5.998
173 HD21 LEU 42 3HD2 LEU 42 7.513 15.078 -6.201
174 HD22 LEU 42 1HD2 LEU 42 6.513 15.599 -7.577
175 HD23 LEU 42 2HD2 LEU 42 7.042 16.787 -6.361
176 H PHE 43 H PHE 43 2.944 13.888 -4.503
177 HA PHE 43 HA PHE 43 4.324 11.356 -3.847
178 HB2 PHE 43 1HB PHE 43 2.392 10.287 -2.867
179 HB3 PHE 43 2HB PHE 43 2.674 11.787 -1.956
180 HD1 PHE 43 HD2 PHE 43 1.200 13.709 -2.242
181 HD2 PHE 43 HD1 PHE 43 0.428 9.961 -4.140
182 HE1 PHE 43 HE2 PHE 43 -1.143 14.395 -2.638
183 HE2 PHE 43 HE1 PHE 43 -1.914 10.643 -4.539
184 HZ PHE 43 HZ PHE 43 -2.699 12.861 -3.789
185 H SER 44 H SER 44 3.534 9.534 -5.039
186 HA SER 44 HA SER 44 1.639 10.106 -7.303
187 HB2 SER 44 1HB SER 44 2.989 9.560 -8.987
188 HB3 SER 44 2HB SER 44 3.881 10.754 -8.017
189 HG SER 44 HG SER 44 4.298 7.971 -8.227
190 H THR 45 H THR 45 0.651 8.271 -8.082
191 HA THR 45 HA THR 45 1.200 5.757 -6.535
192 HB THR 45 HB THR 45 -1.432 6.745 -7.716
193 HG1 THR 45 HG1 THR 45 -0.750 7.811 -5.759
194 HG21 THR 45 3HG2 THR 45 -0.772 4.284 -6.048
195 HG22 THR 45 1HG2 THR 45 -2.400 4.787 -6.562
196 HG23 THR 45 2HG2 THR 45 -1.197 4.286 -7.776
197 H TPO 46 H TPO 46 1.772 4.018 -7.563
198 HA TPO 46 HA TPO 46 1.911 4.117 -10.520
199 HB TPO 46 HB TPO 46 3.306 2.163 -10.362
200 HG21 TPO 46 1HG2 TPO 46 5.086 2.920 -8.825
201 HG22 TPO 46 2HG2 TPO 46 4.395 4.289 -9.729
202 HG23 TPO 46 3HG2 TPO 46 3.933 4.019 -8.031
203 HA PRO 47 HA PRO 47 -1.435 1.656 -11.651
204 HB2 PRO 47 1HB PRO 47 0.516 -0.336 -12.888
205 HB3 PRO 47 2HB PRO 47 -0.864 0.471 -13.645
206 HG2 PRO 47 1HG PRO 47 1.600 1.305 -14.214
207 HG3 PRO 47 2HG PRO 47 0.320 2.499 -13.963
208 HD2 PRO 47 1HD PRO 47 2.551 1.675 -12.067
209 HD3 PRO 47 2HD PRO 47 1.870 3.282 -12.347
210 H GLY 48 H GLY 48 1.244 0.010 -10.091
211 HA2 GLY 48 1HA GLY 48 -0.163 -2.402 -9.461
212 HA3 GLY 48 2HA GLY 48 1.259 -1.763 -8.606
213 H GLY 49 H GLY 49 -0.163 0.808 -8.062
214 HA2 GLY 49 1HA GLY 49 -2.226 1.420 -6.855
215 HA3 GLY 49 2HA GLY 49 -2.152 -0.164 -6.047
216 H THR 50 H THR 50 0.944 0.435 -6.084
217 HA THR 50 HA THR 50 1.063 1.329 -3.333
218 HB THR 50 HB THR 50 3.298 1.135 -5.396
219 HG1 THR 50 HG1 THR 50 2.855 -0.933 -5.169
220 HG21 THR 50 3HG2 THR 50 3.347 1.181 -2.352
221 HG22 THR 50 1HG2 THR 50 4.758 0.960 -3.412
222 HG23 THR 50 2HG2 THR 50 3.871 2.504 -3.420
223 H ARG 51 H ARG 51 1.171 3.239 -2.464
224 HA ARG 51 HA ARG 51 1.507 5.599 -4.254
225 HB2 ARG 51 1HB ARG 51 -0.413 5.656 -2.891
226 HB3 ARG 51 2HB ARG 51 0.568 5.392 -1.430
227 HG2 ARG 51 1HG ARG 51 1.634 7.551 -1.698
228 HG3 ARG 51 2HG ARG 51 0.799 7.807 -3.250
229 HD2 ARG 51 1HD ARG 51 -0.529 7.568 -0.569
230 HD3 ARG 51 2HD ARG 51 -0.151 9.088 -1.412
231 HE ARG 51 HE ARG 51 -1.890 7.668 -3.173
232 HH11 ARG 51 1HH1 ARG 51 -2.094 8.797 0.120
233 HH12 ARG 51 2HH1 ARG 51 -3.824 9.012 -0.055
234 HH21 ARG 51 1HH2 ARG 51 -3.872 7.901 -3.386
235 HH22 ARG 51 2HH2 ARG 51 -4.840 8.500 -2.053
236 H ILE 52 H ILE 52 3.370 6.507 -4.519
237 HA ILE 52 HA ILE 52 5.509 6.090 -2.472
238 HB ILE 52 HB ILE 52 5.618 7.290 -5.277
239 HG12 ILE 52 1HG1 ILE 52 6.655 4.643 -4.305
240 HG13 ILE 52 2HG1 ILE 52 5.113 4.876 -5.160
241 HG21 ILE 52 1HG2 ILE 52 8.067 7.157 -4.980
242 HG22 ILE 52 2HG2 ILE 52 7.332 8.217 -3.757
243 HG23 ILE 52 3HG2 ILE 52 7.834 6.569 -3.317
244 HD11 ILE 52 3HD1 ILE 52 7.871 5.528 -6.256
245 HD12 ILE 52 1HD1 ILE 52 6.880 4.121 -6.701
246 HD13 ILE 52 2HD1 ILE 52 6.329 5.763 -7.112
247 H ILE 53 H ILE 53 5.818 7.430 -0.943
248 HA ILE 53 HA ILE 53 4.955 10.272 -1.299
249 HB ILE 53 HB ILE 53 5.954 8.819 1.193
250 HG12 ILE 53 1HG1 ILE 53 3.920 7.818 0.460
251 HG13 ILE 53 2HG1 ILE 53 3.658 8.783 1.931
252 HG21 ILE 53 1HG2 ILE 53 5.011 10.771 2.379
253 HG22 ILE 53 2HG2 ILE 53 6.275 11.270 1.232
254 HG23 ILE 53 3HG2 ILE 53 4.560 11.502 0.820
255 HD11 ILE 53 3HD1 ILE 53 2.949 9.629 -0.900
256 HD12 ILE 53 1HD1 ILE 53 1.801 9.069 0.338
257 HD13 ILE 53 2HD1 ILE 53 2.687 10.595 0.571
258 H TYR 54 H TYR 54 6.231 11.826 -1.765
259 HA TYR 54 HA TYR 54 9.153 11.204 -1.832
260 HB2 TYR 54 1HB TYR 54 7.525 13.351 -3.207
261 HB3 TYR 54 2HB TYR 54 9.282 13.108 -3.372
262 HD1 TYR 54 HD2 TYR 54 10.084 10.877 -4.342
263 HD2 TYR 54 HD1 TYR 54 6.032 12.178 -4.606
264 HE1 TYR 54 HE2 TYR 54 9.702 9.277 -6.186
265 HE2 TYR 54 HE1 TYR 54 5.631 10.580 -6.457
266 HH TYR 54 HH TYR 54 6.504 8.907 -7.730
267 H ASP 55 H ASP 55 10.377 11.902 -0.287
268 HA ASP 55 HA ASP 55 9.527 14.174 1.396
269 HB2 ASP 55 1HB ASP 55 12.023 12.377 1.529
270 HB3 ASP 55 2HB ASP 55 11.581 13.791 2.518
271 H ARG 56 H ARG 56 9.713 16.125 0.589
272 HA ARG 56 HA ARG 56 11.580 16.687 -1.571
273 HB2 ARG 56 1HB ARG 56 9.361 17.659 -1.433
274 HB3 ARG 56 2HB ARG 56 9.895 18.604 -0.024
275 HG2 ARG 56 1HG ARG 56 11.558 19.750 -1.389
276 HG3 ARG 56 2HG ARG 56 11.112 18.760 -2.800
277 HD2 ARG 56 1HD ARG 56 8.841 19.740 -2.653
278 HD3 ARG 56 2HD ARG 56 9.471 20.847 -1.410
279 HE ARG 56 HE ARG 56 11.046 21.194 -3.829
280 HH11 ARG 56 1HH1 ARG 56 7.812 21.797 -2.670
281 HH12 ARG 56 2HH1 ARG 56 7.676 23.172 -3.749
282 HH21 ARG 56 1HH2 ARG 56 10.902 22.760 -5.076
283 HH22 ARG 56 2HH2 ARG 56 9.436 23.722 -5.121
284 H LYS 57 H LYS 57 13.578 17.313 -1.513
285 HA LYS 57 HA LYS 57 15.594 18.151 -0.719
286 HB2 LYS 57 1HB LYS 57 13.717 19.812 0.968
287 HB3 LYS 57 2HB LYS 57 15.470 20.077 0.823
288 HG2 LYS 57 1HG LYS 57 15.238 20.574 -1.549
289 HG3 LYS 57 2HG LYS 57 13.499 20.205 -1.482
290 HD2 LYS 57 1HD LYS 57 13.187 22.061 0.129
291 HD3 LYS 57 2HD LYS 57 14.919 22.446 -0.004
292 HE2 LYS 57 1HE LYS 57 14.613 22.821 -2.440
293 HE3 LYS 57 2HE LYS 57 12.869 22.530 -2.240
294 HZ1 LYS 57 3HZ LYS 57 14.406 24.693 -0.949
295 HZ2 LYS 57 1HZ LYS 57 13.386 24.875 -2.232
296 HZ3 LYS 57 2HZ LYS 57 12.788 24.423 -0.763
297 H PHE 58 H PHE 58 14.720 15.742 0.388
298 HA PHE 58 HA PHE 58 16.172 15.947 3.003
299 HB2 PHE 58 1HB PHE 58 13.682 14.319 2.358
300 HB3 PHE 58 2HB PHE 58 14.743 13.966 3.740
301 HD1 PHE 58 HD2 PHE 58 15.192 15.931 5.361
302 HD2 PHE 58 HD1 PHE 58 11.929 15.760 2.610
303 HE1 PHE 58 HE2 PHE 58 13.950 17.566 6.737
304 HE2 PHE 58 HE1 PHE 58 10.684 17.398 3.981
305 HZ PHE 58 HZ PHE 58 11.695 18.301 6.046
306 H LEU 59 H LEU 59 16.289 14.899 -0.096
307 HA LEU 59 HA LEU 59 17.539 12.314 0.254
308 HB2 LEU 59 1HB LEU 59 16.630 13.060 -1.743
309 HB3 LEU 59 2HB LEU 59 17.784 14.392 -1.992
310 HG LEU 59 HG LEU 59 19.621 12.642 -2.016
311 HD11 LEU 59 1HD1 LEU 59 18.906 10.298 -2.554
312 HD12 LEU 59 2HD1 LEU 59 18.313 10.803 -0.955
313 HD13 LEU 59 3HD1 LEU 59 17.208 10.785 -2.351
314 HD21 LEU 59 3HD2 LEU 59 18.833 13.703 -4.050
315 HD22 LEU 59 1HD2 LEU 59 19.206 11.991 -4.363
316 HD23 LEU 59 2HD2 LEU 59 17.513 12.517 -4.191
317 H LEU 60 H LEU 60 19.364 11.787 1.123
318 HA LEU 60 HA LEU 60 21.312 13.896 1.810
319 HB2 LEU 60 1HB LEU 60 21.175 10.982 2.225
320 HB3 LEU 60 2HB LEU 60 22.490 11.925 2.963
321 HG LEU 60 HG LEU 60 19.519 12.125 3.586
322 HD11 LEU 60 1HD1 LEU 60 20.232 11.348 5.863
323 HD12 LEU 60 2HD1 LEU 60 20.661 10.160 4.610
324 HD13 LEU 60 3HD1 LEU 60 21.910 11.236 5.282
325 HD21 LEU 60 3HD2 LEU 60 20.547 14.320 3.648
326 HD22 LEU 60 1HD2 LEU 60 20.170 13.780 5.302
327 HD23 LEU 60 2HD2 LEU 60 21.846 13.714 4.703
328 H ASP 61 H ASP 61 20.854 11.500 -0.628
329 HA ASP 61 HA ASP 61 23.638 11.275 -1.423
330 HB2 ASP 61 1HB ASP 61 21.039 10.694 -2.966
331 HB3 ASP 61 2HB ASP 61 22.729 10.546 -3.508
332 H ARG 62 H ARG 62 24.781 12.250 -3.009
333 HA ARG 62 HA ARG 62 24.001 15.031 -3.557
334 HB2 ARG 62 1HB ARG 62 26.430 13.471 -4.310
335 HB3 ARG 62 2HB ARG 62 26.132 15.178 -4.714
336 HG2 ARG 62 1HG ARG 62 26.086 15.767 -2.355
337 HG3 ARG 62 2HG ARG 62 26.270 14.055 -1.899
338 HD2 ARG 62 1HD ARG 62 28.295 15.610 -3.470
339 HD3 ARG 62 2HD ARG 62 28.307 15.440 -1.699
340 HE ARG 62 HE ARG 62 28.421 12.772 -2.688
341 HH11 ARG 62 1HH1 ARG 62 30.353 15.638 -3.154
342 HH12 ARG 62 2HH1 ARG 62 31.779 14.647 -3.382
343 HH21 ARG 62 1HH2 ARG 62 30.045 11.623 -2.955
344 HH22 ARG 62 2HH2 ARG 62 31.606 12.357 -3.269