Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
628404 | 6axd RC | 30340 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H ILE 40 H ILE 40 1.807 0.001 0.855
2 HA ILE 40 HA ILE 40 1.719 0.800 -1.863
3 HB ILE 40 HB ILE 40 4.068 0.446 -1.928
4 HG12 ILE 40 1HG1 ILE 40 4.699 -0.718 0.578
5 HG13 ILE 40 2HG1 ILE 40 3.461 -1.730 -0.159
6 HG21 ILE 40 1HG2 ILE 40 2.849 1.999 -0.011
7 HG22 ILE 40 2HG2 ILE 40 4.087 1.134 0.898
8 HG23 ILE 40 3HG2 ILE 40 4.539 2.100 -0.506
9 HD11 ILE 40 1HD1 ILE 40 5.088 -1.401 -2.262
10 HD12 ILE 40 2HD1 ILE 40 6.258 -1.278 -0.948
11 HD13 ILE 40 3HD1 ILE 40 5.248 -2.715 -1.097
12 H ALA 41 H ALA 41 3.438 -0.856 -3.209
13 HA ALA 41 HA ALA 41 3.543 -2.743 -4.480
14 HB1 ALA 41 1HB ALA 41 3.201 -4.821 -3.478
15 HB2 ALA 41 2HB ALA 41 3.623 -3.766 -2.128
16 HB3 ALA 41 3HB ALA 41 1.938 -4.205 -2.411
17 H LEU 42 H LEU 42 0.999 -0.939 -4.171
18 HA LEU 42 HA LEU 42 -0.905 -2.721 -5.518
19 HB2 LEU 42 1HB LEU 42 -1.170 -0.173 -3.987
20 HB3 LEU 42 2HB LEU 42 -2.399 -0.601 -5.175
21 HG LEU 42 HG LEU 42 -1.624 -2.313 -2.815
22 HD11 LEU 42 1HD1 LEU 42 -3.377 -1.452 -1.612
23 HD12 LEU 42 2HD1 LEU 42 -4.227 -0.881 -3.048
24 HD13 LEU 42 3HD1 LEU 42 -2.813 -0.010 -2.456
25 HD21 LEU 42 1HD2 LEU 42 -3.901 -2.509 -4.783
26 HD22 LEU 42 2HD2 LEU 42 -3.671 -3.538 -3.369
27 HD23 LEU 42 3HD2 LEU 42 -2.506 -3.585 -4.693
28 HA PRO 43 HA PRO 43 -0.426 -0.815 -9.440
29 HB2 PRO 43 1HB PRO 43 -2.980 -0.724 -10.356
30 HB3 PRO 43 2HB PRO 43 -2.062 -2.228 -10.219
31 HG2 PRO 43 1HG PRO 43 -4.115 -1.086 -8.364
32 HG3 PRO 43 2HG PRO 43 -3.910 -2.760 -8.911
33 HD2 PRO 43 1HD PRO 43 -3.054 -1.904 -6.489
34 HD3 PRO 43 2HD PRO 43 -2.221 -3.180 -7.400
35 H ALA 44 H ALA 44 -2.095 0.745 -6.951
36 HA ALA 44 HA ALA 44 -3.207 2.985 -8.160
37 HB1 ALA 44 1HB ALA 44 -2.118 2.399 -5.459
38 HB2 ALA 44 2HB ALA 44 -2.444 4.081 -5.877
39 HB3 ALA 44 3HB ALA 44 -3.741 2.889 -5.944
40 H PHE 45 H PHE 45 0.119 2.158 -7.635
41 HA PHE 45 HA PHE 45 1.249 4.737 -7.813
42 HB2 PHE 45 1HB PHE 45 2.333 1.978 -8.346
43 HB3 PHE 45 2HB PHE 45 3.320 3.419 -8.567
44 HD1 PHE 45 HD1 PHE 45 4.560 4.205 -6.795
45 HD2 PHE 45 HD2 PHE 45 1.153 1.775 -6.021
46 HE1 PHE 45 HE1 PHE 45 5.119 4.192 -4.399
47 HE2 PHE 45 HE2 PHE 45 1.706 1.758 -3.624
48 HZ PHE 45 HZ PHE 45 3.690 2.968 -2.810
49 H SER 46 H SER 46 -0.295 2.812 -10.126
50 HA SER 46 HA SER 46 1.042 3.275 -12.486
51 HB2 SER 46 1HB SER 46 -0.784 1.893 -12.778
52 HB3 SER 46 2HB SER 46 -1.839 2.902 -11.788
53 HG SER 46 HG SER 46 -1.397 2.963 -14.473
54 H GLN 47 H GLN 47 -1.875 5.152 -11.734
55 HA GLN 47 HA GLN 47 -0.742 7.694 -11.745
56 HB2 GLN 47 1HB GLN 47 -0.986 6.508 -14.377
57 HB3 GLN 47 2HB GLN 47 -1.947 7.976 -14.250
58 HG2 GLN 47 1HG GLN 47 0.780 8.159 -13.172
59 HG3 GLN 47 2HG GLN 47 0.663 7.917 -14.914
60 HE21 GLN 47 1HE2 GLN 47 -1.120 11.268 -13.370
61 HE22 GLN 47 2HE2 GLN 47 -1.210 9.763 -12.528
62 H VAL 48 H VAL 48 -3.504 6.504 -13.648
63 HA VAL 48 HA VAL 48 -5.751 6.794 -13.422
64 HB VAL 48 HB VAL 48 -5.020 7.271 -10.532
65 HG11 VAL 48 1HG1 VAL 48 -7.065 8.247 -10.491
66 HG12 VAL 48 2HG1 VAL 48 -7.612 7.419 -11.950
67 HG13 VAL 48 3HG1 VAL 48 -7.595 6.568 -10.405
68 HG21 VAL 48 1HG2 VAL 48 -6.027 4.989 -10.272
69 HG22 VAL 48 2HG2 VAL 48 -6.061 4.873 -12.032
70 HG23 VAL 48 3HG2 VAL 48 -4.521 5.032 -11.188
71 H ASP 49 H ASP 49 -4.826 9.128 -10.929
72 HA ASP 49 HA ASP 49 -5.036 11.400 -12.649
73 HB2 ASP 49 1HB ASP 49 -7.462 10.374 -11.581
74 HB3 ASP 49 2HB ASP 49 -7.104 11.875 -10.732
75 HA PRO 50 HA PRO 50 -2.699 13.187 -9.391
76 HB2 PRO 50 1HB PRO 50 -3.225 15.822 -9.779
77 HB3 PRO 50 2HB PRO 50 -2.189 14.880 -10.858
78 HG2 PRO 50 1HG PRO 50 -5.066 15.642 -11.183
79 HG3 PRO 50 2HG PRO 50 -3.761 15.658 -12.384
80 HD2 PRO 50 1HD PRO 50 -5.594 13.669 -12.251
81 HD3 PRO 50 2HD PRO 50 -3.920 13.392 -12.773
82 H GLU 51 H GLU 51 -5.974 14.553 -9.726
83 HA GLU 51 HA GLU 51 -6.249 15.688 -7.226
84 HB2 GLU 51 1HB GLU 51 -8.153 14.538 -9.205
85 HB3 GLU 51 2HB GLU 51 -8.762 14.883 -7.593
86 HG2 GLU 51 1HG GLU 51 -7.249 17.119 -8.502
87 HG3 GLU 51 2HG GLU 51 -8.409 16.662 -9.748
88 H VAL 52 H VAL 52 -6.308 12.333 -8.131
89 HA VAL 52 HA VAL 52 -7.554 11.328 -5.784
90 HB VAL 52 HB VAL 52 -5.588 9.799 -7.476
91 HG11 VAL 52 1HG1 VAL 52 -6.286 8.617 -5.521
92 HG12 VAL 52 2HG1 VAL 52 -7.979 9.019 -5.817
93 HG13 VAL 52 3HG1 VAL 52 -7.130 7.918 -6.902
94 HG21 VAL 52 1HG2 VAL 52 -7.655 9.129 -8.798
95 HG22 VAL 52 2HG2 VAL 52 -8.439 10.537 -8.081
96 HG23 VAL 52 3HG2 VAL 52 -7.011 10.744 -9.096
97 H PHE 53 H PHE 53 -4.154 11.651 -6.768
98 HA PHE 53 HA PHE 53 -3.054 10.543 -4.419
99 HB2 PHE 53 1HB PHE 53 -2.008 11.222 -6.793
100 HB3 PHE 53 2HB PHE 53 -1.525 12.640 -5.868
101 HD1 PHE 53 HD1 PHE 53 -0.522 9.488 -6.896
102 HD2 PHE 53 HD2 PHE 53 -0.500 12.017 -3.472
103 HE1 PHE 53 HE1 PHE 53 1.391 8.235 -5.987
104 HE2 PHE 53 HE2 PHE 53 1.413 10.768 -2.558
105 HZ PHE 53 HZ PHE 53 2.361 8.875 -3.816
106 H ALA 54 H ALA 54 -3.776 13.880 -5.359
107 HA ALA 54 HA ALA 54 -2.754 15.011 -2.937
108 HB1 ALA 54 1HB ALA 54 -2.914 16.212 -5.132
109 HB2 ALA 54 2HB ALA 54 -4.658 16.304 -4.878
110 HB3 ALA 54 3HB ALA 54 -3.559 17.098 -3.750
111 H ALA 55 H ALA 55 -5.672 13.479 -3.821
112 HA ALA 55 HA ALA 55 -7.476 14.796 -2.088
113 HB1 ALA 55 1HB ALA 55 -8.790 13.555 -3.393
114 HB2 ALA 55 2HB ALA 55 -7.487 12.430 -3.777
115 HB3 ALA 55 3HB ALA 55 -8.427 12.218 -2.300
116 H LEU 56 H LEU 56 -5.321 12.033 -1.661
117 HA LEU 56 HA LEU 56 -6.267 11.482 1.003
118 HB2 LEU 56 1HB LEU 56 -4.116 10.398 -0.761
119 HB3 LEU 56 2HB LEU 56 -4.088 10.039 0.964
120 HG LEU 56 HG LEU 56 -6.624 9.499 -0.466
121 HD11 LEU 56 1HD1 LEU 56 -4.048 8.277 -1.202
122 HD12 LEU 56 2HD1 LEU 56 -5.551 8.405 -2.116
123 HD13 LEU 56 3HD1 LEU 56 -5.370 7.152 -0.888
124 HD21 LEU 56 1HD2 LEU 56 -6.763 8.844 1.721
125 HD22 LEU 56 2HD2 LEU 56 -5.054 8.419 1.820
126 HD23 LEU 56 3HD2 LEU 56 -6.183 7.348 0.989
127 HA PRO 57 HA PRO 57 -3.605 14.042 3.371
128 HB2 PRO 57 1HB PRO 57 -2.889 12.415 5.423
129 HB3 PRO 57 2HB PRO 57 -4.513 13.090 5.254
130 HG2 PRO 57 1HG PRO 57 -3.509 10.367 4.522
131 HG3 PRO 57 2HG PRO 57 -5.022 10.822 5.326
132 HD2 PRO 57 1HD PRO 57 -4.899 10.213 2.691
133 HD3 PRO 57 2HD PRO 57 -6.049 11.397 3.344
134 H ALA 58 H ALA 58 -1.509 14.658 3.423
135 HA ALA 58 HA ALA 58 0.436 13.467 1.882
136 HB1 ALA 58 1HB ALA 58 0.268 15.795 3.233
137 HB2 ALA 58 2HB ALA 58 1.453 14.939 4.220
138 HB3 ALA 58 3HB ALA 58 1.753 15.187 2.500
139 H GLU 59 H GLU 59 -0.229 13.003 5.317
140 HA GLU 59 HA GLU 59 2.013 11.578 6.080
141 HB2 GLU 59 1HB GLU 59 0.438 12.220 7.746
142 HB3 GLU 59 2HB GLU 59 -0.862 11.339 6.954
143 HG2 GLU 59 1HG GLU 59 -0.106 10.180 8.944
144 HG3 GLU 59 2HG GLU 59 0.218 9.228 7.497
145 H LEU 60 H LEU 60 -0.849 10.466 4.356
146 HA LEU 60 HA LEU 60 0.095 7.720 4.334
147 HB2 LEU 60 1HB LEU 60 -2.199 7.761 4.532
148 HB3 LEU 60 2HB LEU 60 -2.372 9.134 3.440
149 HG LEU 60 HG LEU 60 -1.442 6.544 2.306
150 HD11 LEU 60 1HD1 LEU 60 -3.256 5.774 3.652
151 HD12 LEU 60 2HD1 LEU 60 -3.827 5.885 1.988
152 HD13 LEU 60 3HD1 LEU 60 -4.271 7.128 3.157
153 HD21 LEU 60 1HD2 LEU 60 -3.457 7.787 0.791
154 HD22 LEU 60 2HD2 LEU 60 -1.726 7.734 0.455
155 HD23 LEU 60 3HD2 LEU 60 -2.405 9.076 1.377
156 H GLN 61 H GLN 61 -0.296 10.420 2.097
157 HA GLN 61 HA GLN 61 0.367 9.053 -0.267
158 HB2 GLN 61 1HB GLN 61 -0.035 11.046 -1.193
159 HB3 GLN 61 2HB GLN 61 -0.329 11.660 0.428
160 HG2 GLN 61 1HG GLN 61 1.898 12.449 0.627
161 HG3 GLN 61 2HG GLN 61 2.394 11.605 -0.839
162 HE21 GLN 61 1HE2 GLN 61 -0.196 14.679 -1.526
163 HE22 GLN 61 2HE2 GLN 61 -0.561 13.445 -0.374
164 H ARG 62 H ARG 62 2.314 10.308 2.318
165 HA ARG 62 HA ARG 62 4.783 10.198 0.827
166 HB2 ARG 62 1HB ARG 62 5.801 11.118 2.689
167 HB3 ARG 62 2HB ARG 62 4.160 11.729 2.850
168 HG2 ARG 62 1HG ARG 62 3.749 9.689 4.341
169 HG3 ARG 62 2HG ARG 62 5.507 9.546 4.394
170 HD2 ARG 62 1HD ARG 62 5.637 11.870 5.218
171 HD3 ARG 62 2HD ARG 62 3.876 11.941 5.230
172 HE ARG 62 HE ARG 62 4.361 9.806 6.778
173 HH11 ARG 62 1HH1 ARG 62 5.686 13.025 6.768
174 HH12 ARG 62 2HH1 ARG 62 5.984 13.049 8.474
175 HH21 ARG 62 1HH2 ARG 62 4.748 9.825 9.026
176 HH22 ARG 62 2HH2 ARG 62 5.450 11.227 9.758
177 H GLU 63 H GLU 63 2.916 8.088 2.840
178 HA GLU 63 HA GLU 63 5.020 6.289 3.523
179 HB2 GLU 63 1HB GLU 63 3.063 6.313 4.901
180 HB3 GLU 63 2HB GLU 63 2.016 6.005 3.523
181 HG2 GLU 63 1HG GLU 63 2.438 3.786 3.517
182 HG3 GLU 63 2HG GLU 63 4.098 3.987 4.074
183 H LEU 64 H LEU 64 2.885 6.649 0.799
184 HA LEU 64 HA LEU 64 3.482 4.031 -0.277
185 HB2 LEU 64 1HB LEU 64 1.935 4.489 -1.934
186 HB3 LEU 64 2HB LEU 64 1.303 5.369 -0.544
187 HG LEU 64 HG LEU 64 2.722 7.331 -1.700
188 HD11 LEU 64 1HD1 LEU 64 1.841 6.890 -4.222
189 HD12 LEU 64 2HD1 LEU 64 2.349 5.268 -3.753
190 HD13 LEU 64 3HD1 LEU 64 3.495 6.606 -3.678
191 HD21 LEU 64 1HD2 LEU 64 0.123 6.852 -1.190
192 HD22 LEU 64 2HD2 LEU 64 0.090 6.886 -2.954
193 HD23 LEU 64 3HD2 LEU 64 0.704 8.275 -2.055
194 H LYS 65 H LYS 65 4.550 7.333 -0.696
195 HA LYS 65 HA LYS 65 6.094 6.747 -3.065
196 HB2 LYS 65 1HB LYS 65 6.077 9.197 -1.292
197 HB3 LYS 65 2HB LYS 65 6.880 9.072 -2.852
198 HG2 LYS 65 1HG LYS 65 4.894 9.095 -4.027
199 HG3 LYS 65 2HG LYS 65 3.947 8.551 -2.639
200 HD2 LYS 65 1HD LYS 65 3.385 10.693 -2.353
201 HD3 LYS 65 2HD LYS 65 5.038 10.946 -1.790
202 HE2 LYS 65 1HE LYS 65 5.750 11.592 -3.986
203 HE3 LYS 65 2HE LYS 65 4.191 11.144 -4.676
204 HZ1 LYS 65 1HZ LYS 65 3.742 13.308 -4.419
205 HZ2 LYS 65 2HZ LYS 65 4.964 13.550 -3.275
206 HZ3 LYS 65 3HZ LYS 65 3.471 12.915 -2.796
207 H ALA 66 H ALA 66 6.767 7.441 0.350
208 HA ALA 66 HA ALA 66 9.575 7.286 0.167
209 HB1 ALA 66 1HB ALA 66 7.875 6.677 2.580
210 HB2 ALA 66 2HB ALA 66 9.573 7.155 2.567
211 HB3 ALA 66 3HB ALA 66 8.331 8.299 2.058
212 H ALA 67 H ALA 67 7.122 4.853 0.971
213 HA ALA 67 HA ALA 67 8.752 2.740 1.685
214 HB1 ALA 67 1HB ALA 67 6.825 1.366 0.510
215 HB2 ALA 67 2HB ALA 67 6.549 2.245 2.014
216 HB3 ALA 67 3HB ALA 67 6.045 2.948 0.477
217 H TYR 68 H TYR 68 7.816 3.820 -1.550
218 HA TYR 68 HA TYR 68 9.033 1.665 -2.939
219 HB2 TYR 68 1HB TYR 68 7.765 4.229 -3.633
220 HB3 TYR 68 2HB TYR 68 9.009 3.702 -4.761
221 HD1 TYR 68 HD1 TYR 68 6.622 1.616 -2.813
222 HD2 TYR 68 HD2 TYR 68 7.795 3.041 -6.647
223 HE1 TYR 68 HE1 TYR 68 5.010 0.088 -3.868
224 HE2 TYR 68 HE2 TYR 68 6.185 1.518 -7.712
225 HH TYR 68 HH TYR 68 4.673 -0.073 -7.402
226 H ASP 69 H ASP 69 10.228 4.604 -1.570
227 HA ASP 69 HA ASP 69 12.691 4.573 -3.094
228 HB2 ASP 69 1HB ASP 69 11.307 6.446 -1.373
229 HB3 ASP 69 2HB ASP 69 13.004 6.311 -0.921
230 H GLN 70 H GLN 70 11.576 3.715 0.131
231 HA GLN 70 HA GLN 70 13.991 3.336 1.427
232 HB2 GLN 70 1HB GLN 70 11.403 1.803 1.681
233 HB3 GLN 70 2HB GLN 70 12.759 1.611 2.784
234 HG2 GLN 70 1HG GLN 70 11.006 4.005 2.377
235 HG3 GLN 70 2HG GLN 70 11.296 3.086 3.853
236 HE21 GLN 70 1HE2 GLN 70 13.620 6.208 2.867
237 HE22 GLN 70 2HE2 GLN 70 12.255 5.713 1.932
238 H ARG 71 H ARG 71 12.141 0.953 -0.466
239 HA ARG 71 HA ARG 71 14.084 -1.099 -0.226
240 HB2 ARG 71 1HB ARG 71 11.960 -0.775 -2.353
241 HB3 ARG 71 2HB ARG 71 12.802 -2.261 -1.936
242 HG2 ARG 71 1HG ARG 71 10.897 -0.731 -0.177
243 HG3 ARG 71 2HG ARG 71 10.583 -2.265 -0.991
244 HD2 ARG 71 1HD ARG 71 12.545 -3.198 0.310
245 HD3 ARG 71 2HD ARG 71 12.502 -1.713 1.260
246 HE ARG 71 HE ARG 71 9.938 -2.728 1.313
247 HH11 ARG 71 1HH1 ARG 71 13.111 -3.781 2.284
248 HH12 ARG 71 2HH1 ARG 71 12.529 -4.759 3.591
249 HH21 ARG 71 1HH2 ARG 71 9.160 -4.011 3.030
250 HH22 ARG 71 2HH2 ARG 71 10.281 -4.890 4.013
251 H GLN 72 H GLN 72 13.850 1.683 -2.211
252 HA GLN 72 HA GLN 72 15.535 0.680 -4.326
253 HB2 GLN 72 1HB GLN 72 13.730 2.736 -4.150
254 HB3 GLN 72 2HB GLN 72 15.264 3.592 -4.074
255 HG2 GLN 72 1HG GLN 72 15.538 1.725 -6.139
256 HG3 GLN 72 2HG GLN 72 13.933 2.429 -6.330
257 HE21 GLN 72 1HE2 GLN 72 17.283 4.682 -6.885
258 HE22 GLN 72 2HE2 GLN 72 17.355 3.157 -6.077
Start of MODEL 2
1 H ILE 40 H ILE 40 2.846 -1.304 -3.517
2 HA ILE 40 HA ILE 40 4.014 -2.532 -1.135
3 HB ILE 40 HB ILE 40 4.957 -0.351 -0.646
4 HG12 ILE 40 1HG1 ILE 40 4.586 1.316 -2.735
5 HG13 ILE 40 2HG1 ILE 40 3.023 0.506 -2.724
6 HG21 ILE 40 1HG2 ILE 40 6.203 -1.782 -2.150
7 HG22 ILE 40 2HG2 ILE 40 5.313 -1.146 -3.532
8 HG23 ILE 40 3HG2 ILE 40 6.401 -0.095 -2.626
9 HD11 ILE 40 1HD1 ILE 40 3.187 1.082 -0.139
10 HD12 ILE 40 2HD1 ILE 40 4.208 2.375 -0.768
11 HD13 ILE 40 3HD1 ILE 40 2.543 2.214 -1.328
12 H ALA 41 H ALA 41 1.272 -0.676 -2.156
13 HA ALA 41 HA ALA 41 -0.171 -1.150 0.206
14 HB1 ALA 41 1HB ALA 41 1.022 1.607 -0.021
15 HB2 ALA 41 2HB ALA 41 -0.321 1.194 1.046
16 HB3 ALA 41 3HB ALA 41 1.256 0.440 1.280
17 H LEU 42 H LEU 42 0.302 0.890 -2.618
18 HA LEU 42 HA LEU 42 -2.603 1.234 -2.864
19 HB2 LEU 42 1HB LEU 42 -0.244 2.693 -3.985
20 HB3 LEU 42 2HB LEU 42 -1.818 2.811 -4.770
21 HG LEU 42 HG LEU 42 -1.193 3.625 -1.931
22 HD11 LEU 42 1HD1 LEU 42 -1.773 5.286 -4.379
23 HD12 LEU 42 2HD1 LEU 42 -0.206 5.121 -3.587
24 HD13 LEU 42 3HD1 LEU 42 -1.544 5.897 -2.740
25 HD21 LEU 42 1HD2 LEU 42 -3.458 2.851 -2.067
26 HD22 LEU 42 2HD2 LEU 42 -3.732 3.763 -3.551
27 HD23 LEU 42 3HD2 LEU 42 -3.475 4.615 -2.027
28 HA PRO 43 HA PRO 43 -2.956 -1.541 -6.244
29 HB2 PRO 43 1HB PRO 43 -4.771 -0.279 -7.820
30 HB3 PRO 43 2HB PRO 43 -5.199 -1.043 -6.284
31 HG2 PRO 43 1HG PRO 43 -4.680 1.844 -6.885
32 HG3 PRO 43 2HG PRO 43 -5.954 1.120 -5.886
33 HD2 PRO 43 1HD PRO 43 -3.721 2.227 -4.825
34 HD3 PRO 43 2HD PRO 43 -4.553 0.849 -4.075
35 H ALA 44 H ALA 44 -2.161 1.796 -6.935
36 HA ALA 44 HA ALA 44 -0.146 1.166 -8.775
37 HB1 ALA 44 1HB ALA 44 -2.820 1.798 -9.967
38 HB2 ALA 44 2HB ALA 44 -1.328 2.215 -10.812
39 HB3 ALA 44 3HB ALA 44 -1.672 0.533 -10.408
40 H PHE 45 H PHE 45 -0.298 2.829 -6.595
41 HA PHE 45 HA PHE 45 0.099 4.947 -5.852
42 HB2 PHE 45 1HB PHE 45 1.451 4.741 -8.488
43 HB3 PHE 45 2HB PHE 45 1.303 6.354 -7.797
44 HD1 PHE 45 HD1 PHE 45 3.502 6.858 -7.209
45 HD2 PHE 45 HD2 PHE 45 1.798 3.148 -6.002
46 HE1 PHE 45 HE1 PHE 45 5.461 6.425 -5.784
47 HE2 PHE 45 HE2 PHE 45 3.754 2.711 -4.575
48 HZ PHE 45 HZ PHE 45 5.588 4.350 -4.463
49 H SER 46 H SER 46 -2.462 4.402 -7.275
50 HA SER 46 HA SER 46 -4.314 5.514 -7.995
51 HB2 SER 46 1HB SER 46 -3.713 6.754 -5.831
52 HB3 SER 46 2HB SER 46 -3.068 8.021 -6.874
53 HG SER 46 HG SER 46 -5.173 8.096 -7.862
54 H GLN 47 H GLN 47 -2.323 5.201 -9.922
55 HA GLN 47 HA GLN 47 -1.625 7.540 -11.302
56 HB2 GLN 47 1HB GLN 47 -1.983 4.691 -12.218
57 HB3 GLN 47 2HB GLN 47 -1.433 5.967 -13.296
58 HG2 GLN 47 1HG GLN 47 0.068 5.875 -10.811
59 HG3 GLN 47 2HG GLN 47 0.152 4.368 -11.721
60 HE21 GLN 47 1HE2 GLN 47 1.824 7.785 -13.198
61 HE22 GLN 47 2HE2 GLN 47 0.637 7.846 -11.945
62 H VAL 48 H VAL 48 -4.632 5.983 -10.954
63 HA VAL 48 HA VAL 48 -5.971 6.394 -13.309
64 HB VAL 48 HB VAL 48 -7.078 5.321 -11.467
65 HG11 VAL 48 1HG1 VAL 48 -7.183 7.981 -10.058
66 HG12 VAL 48 2HG1 VAL 48 -7.709 6.413 -9.443
67 HG13 VAL 48 3HG1 VAL 48 -5.993 6.729 -9.703
68 HG21 VAL 48 1HG2 VAL 48 -8.625 7.858 -11.883
69 HG22 VAL 48 2HG2 VAL 48 -8.385 6.698 -13.189
70 HG23 VAL 48 3HG2 VAL 48 -9.229 6.209 -11.720
71 H ASP 49 H ASP 49 -5.337 8.769 -10.758
72 HA ASP 49 HA ASP 49 -5.407 10.929 -12.634
73 HB2 ASP 49 1HB ASP 49 -7.863 10.221 -11.432
74 HB3 ASP 49 2HB ASP 49 -7.322 11.693 -10.630
75 HA PRO 50 HA PRO 50 -2.708 12.644 -9.622
76 HB2 PRO 50 1HB PRO 50 -2.896 15.277 -10.256
77 HB3 PRO 50 2HB PRO 50 -2.033 14.107 -11.260
78 HG2 PRO 50 1HG PRO 50 -4.794 15.215 -11.592
79 HG3 PRO 50 2HG PRO 50 -3.543 14.942 -12.819
80 HD2 PRO 50 1HD PRO 50 -5.615 13.239 -12.449
81 HD3 PRO 50 2HD PRO 50 -4.012 12.691 -12.979
82 H GLU 51 H GLU 51 -5.800 14.370 -10.011
83 HA GLU 51 HA GLU 51 -5.842 15.792 -7.650
84 HB2 GLU 51 1HB GLU 51 -7.618 15.356 -9.692
85 HB3 GLU 51 2HB GLU 51 -8.428 14.583 -8.337
86 HG2 GLU 51 1HG GLU 51 -7.341 17.362 -8.113
87 HG3 GLU 51 2HG GLU 51 -8.927 17.047 -8.814
88 H VAL 52 H VAL 52 -6.351 12.385 -8.166
89 HA VAL 52 HA VAL 52 -7.578 11.795 -5.679
90 HB VAL 52 HB VAL 52 -5.868 9.876 -7.247
91 HG11 VAL 52 1HG1 VAL 52 -7.565 8.252 -6.405
92 HG12 VAL 52 2HG1 VAL 52 -6.600 9.012 -5.138
93 HG13 VAL 52 3HG1 VAL 52 -8.253 9.552 -5.434
94 HG21 VAL 52 1HG2 VAL 52 -8.542 11.019 -7.901
95 HG22 VAL 52 2HG2 VAL 52 -7.203 10.600 -8.971
96 HG23 VAL 52 3HG2 VAL 52 -8.215 9.328 -8.286
97 H PHE 53 H PHE 53 -4.209 11.606 -6.796
98 HA PHE 53 HA PHE 53 -3.058 10.571 -4.492
99 HB2 PHE 53 1HB PHE 53 -2.061 11.212 -6.866
100 HB3 PHE 53 2HB PHE 53 -1.579 12.673 -6.010
101 HD1 PHE 53 HD1 PHE 53 -0.367 9.697 -7.080
102 HD2 PHE 53 HD2 PHE 53 -0.650 11.967 -3.491
103 HE1 PHE 53 HE1 PHE 53 1.596 8.515 -6.182
104 HE2 PHE 53 HE2 PHE 53 1.313 10.791 -2.588
105 HZ PHE 53 HZ PHE 53 2.439 9.063 -3.934
106 H ALA 54 H ALA 54 -3.624 13.965 -5.369
107 HA ALA 54 HA ALA 54 -2.549 14.998 -2.934
108 HB1 ALA 54 1HB ALA 54 -2.453 16.690 -4.406
109 HB2 ALA 54 2HB ALA 54 -3.820 16.087 -5.344
110 HB3 ALA 54 3HB ALA 54 -4.103 17.015 -3.872
111 H ALA 55 H ALA 55 -5.537 13.603 -3.801
112 HA ALA 55 HA ALA 55 -7.236 14.968 -1.981
113 HB1 ALA 55 1HB ALA 55 -8.854 13.289 -2.460
114 HB2 ALA 55 2HB ALA 55 -7.989 13.628 -3.960
115 HB3 ALA 55 3HB ALA 55 -7.615 12.173 -3.036
116 H LEU 56 H LEU 56 -5.020 12.302 -1.680
117 HA LEU 56 HA LEU 56 -6.049 11.480 0.898
118 HB2 LEU 56 1HB LEU 56 -3.390 10.577 -0.042
119 HB3 LEU 56 2HB LEU 56 -4.684 9.668 0.735
120 HG LEU 56 HG LEU 56 -4.572 10.488 -2.167
121 HD11 LEU 56 1HD1 LEU 56 -4.468 7.730 -0.967
122 HD12 LEU 56 2HD1 LEU 56 -3.035 8.649 -1.428
123 HD13 LEU 56 3HD1 LEU 56 -4.219 8.190 -2.652
124 HD21 LEU 56 1HD2 LEU 56 -6.763 9.630 -0.459
125 HD22 LEU 56 2HD2 LEU 56 -6.536 8.579 -1.858
126 HD23 LEU 56 3HD2 LEU 56 -6.794 10.310 -2.086
127 HA PRO 57 HA PRO 57 -3.535 13.982 3.481
128 HB2 PRO 57 1HB PRO 57 -2.939 12.274 5.506
129 HB3 PRO 57 2HB PRO 57 -4.550 12.965 5.274
130 HG2 PRO 57 1HG PRO 57 -3.517 10.265 4.495
131 HG3 PRO 57 2HG PRO 57 -5.071 10.699 5.231
132 HD2 PRO 57 1HD PRO 57 -4.805 10.189 2.585
133 HD3 PRO 57 2HD PRO 57 -5.985 11.355 3.219
134 H ALA 58 H ALA 58 -1.440 14.578 3.691
135 HA ALA 58 HA ALA 58 0.582 13.443 2.207
136 HB1 ALA 58 1HB ALA 58 1.108 15.573 2.819
137 HB2 ALA 58 2HB ALA 58 0.512 15.367 4.466
138 HB3 ALA 58 3HB ALA 58 2.074 14.693 4.003
139 H GLU 59 H GLU 59 -0.441 12.675 5.463
140 HA GLU 59 HA GLU 59 1.795 11.254 6.346
141 HB2 GLU 59 1HB GLU 59 -0.025 11.875 7.842
142 HB3 GLU 59 2HB GLU 59 -1.127 10.809 6.981
143 HG2 GLU 59 1HG GLU 59 -0.319 9.874 9.114
144 HG3 GLU 59 2HG GLU 59 0.071 8.872 7.717
145 H LEU 60 H LEU 60 -1.024 10.177 4.492
146 HA LEU 60 HA LEU 60 0.016 7.476 4.301
147 HB2 LEU 60 1HB LEU 60 -2.260 7.365 4.440
148 HB3 LEU 60 2HB LEU 60 -2.496 8.865 3.546
149 HG LEU 60 HG LEU 60 -1.463 6.519 2.046
150 HD11 LEU 60 1HD1 LEU 60 -4.311 6.786 2.991
151 HD12 LEU 60 2HD1 LEU 60 -3.193 5.467 3.338
152 HD13 LEU 60 3HD1 LEU 60 -3.780 5.716 1.693
153 HD21 LEU 60 1HD2 LEU 60 -2.472 9.087 1.478
154 HD22 LEU 60 2HD2 LEU 60 -3.652 7.928 0.867
155 HD23 LEU 60 3HD2 LEU 60 -1.971 7.838 0.338
156 H GLN 61 H GLN 61 -0.381 10.315 2.257
157 HA GLN 61 HA GLN 61 0.331 9.108 -0.190
158 HB2 GLN 61 1HB GLN 61 -0.339 11.123 -0.872
159 HB3 GLN 61 2HB GLN 61 -0.256 11.745 0.771
160 HG2 GLN 61 1HG GLN 61 1.946 12.486 0.502
161 HG3 GLN 61 2HG GLN 61 2.186 11.514 -0.949
162 HE21 GLN 61 1HE2 GLN 61 -0.349 14.671 -1.462
163 HE22 GLN 61 2HE2 GLN 61 -0.565 13.561 -0.156
164 H ARG 62 H ARG 62 2.210 10.324 2.478
165 HA ARG 62 HA ARG 62 4.696 10.341 1.016
166 HB2 ARG 62 1HB ARG 62 5.710 11.063 3.028
167 HB3 ARG 62 2HB ARG 62 4.136 11.846 2.983
168 HG2 ARG 62 1HG ARG 62 3.869 11.096 5.058
169 HG3 ARG 62 2HG ARG 62 3.627 9.505 4.334
170 HD2 ARG 62 1HD ARG 62 5.955 8.970 4.607
171 HD3 ARG 62 2HD ARG 62 6.308 10.607 5.159
172 HE ARG 62 HE ARG 62 4.397 9.563 6.878
173 HH11 ARG 62 1HH1 ARG 62 7.683 8.894 5.945
174 HH12 ARG 62 2HH1 ARG 62 8.118 8.216 7.479
175 HH21 ARG 62 1HH2 ARG 62 4.957 8.673 8.902
176 HH22 ARG 62 2HH2 ARG 62 6.567 8.090 9.160
177 H GLU 63 H GLU 63 2.845 8.066 2.823
178 HA GLU 63 HA GLU 63 5.022 6.309 3.461
179 HB2 GLU 63 1HB GLU 63 3.092 6.237 4.876
180 HB3 GLU 63 2HB GLU 63 2.025 5.957 3.507
181 HG2 GLU 63 1HG GLU 63 2.596 3.748 3.332
182 HG3 GLU 63 2HG GLU 63 4.181 3.986 4.065
183 H LEU 64 H LEU 64 2.882 6.767 0.771
184 HA LEU 64 HA LEU 64 3.455 4.190 -0.409
185 HB2 LEU 64 1HB LEU 64 1.896 4.711 -2.021
186 HB3 LEU 64 2HB LEU 64 1.297 5.600 -0.622
187 HG LEU 64 HG LEU 64 2.731 7.546 -1.741
188 HD11 LEU 64 1HD1 LEU 64 1.853 7.006 -4.306
189 HD12 LEU 64 2HD1 LEU 64 2.573 5.486 -3.774
190 HD13 LEU 64 3HD1 LEU 64 3.523 6.971 -3.739
191 HD21 LEU 64 1HD2 LEU 64 0.072 6.969 -1.412
192 HD22 LEU 64 2HD2 LEU 64 0.196 7.231 -3.151
193 HD23 LEU 64 3HD2 LEU 64 0.724 8.486 -2.030
194 H LYS 65 H LYS 65 4.545 7.501 -0.709
195 HA LYS 65 HA LYS 65 6.100 6.982 -3.087
196 HB2 LYS 65 1HB LYS 65 6.073 9.378 -1.242
197 HB3 LYS 65 2HB LYS 65 6.893 9.298 -2.795
198 HG2 LYS 65 1HG LYS 65 4.950 9.444 -3.988
199 HG3 LYS 65 2HG LYS 65 3.977 8.727 -2.702
200 HD2 LYS 65 1HD LYS 65 3.305 10.914 -2.556
201 HD3 LYS 65 2HD LYS 65 4.654 10.923 -1.418
202 HE2 LYS 65 1HE LYS 65 6.075 11.994 -2.937
203 HE3 LYS 65 2HE LYS 65 5.050 11.594 -4.315
204 HZ1 LYS 65 1HZ LYS 65 3.897 13.453 -4.039
205 HZ2 LYS 65 2HZ LYS 65 5.052 13.946 -2.906
206 HZ3 LYS 65 3HZ LYS 65 3.648 13.156 -2.392
207 H ALA 66 H ALA 66 6.713 7.455 0.366
208 HA ALA 66 HA ALA 66 9.537 7.340 0.197
209 HB1 ALA 66 1HB ALA 66 9.527 7.171 2.574
210 HB2 ALA 66 2HB ALA 66 8.222 8.266 2.115
211 HB3 ALA 66 3HB ALA 66 7.856 6.606 2.585
212 H ALA 67 H ALA 67 7.060 4.888 0.826
213 HA ALA 67 HA ALA 67 8.653 2.737 1.506
214 HB1 ALA 67 1HB ALA 67 6.004 2.994 0.171
215 HB2 ALA 67 2HB ALA 67 6.778 1.410 0.232
216 HB3 ALA 67 3HB ALA 67 6.420 2.275 1.727
217 H TYR 68 H TYR 68 7.792 3.911 -1.725
218 HA TYR 68 HA TYR 68 9.058 1.834 -3.161
219 HB2 TYR 68 1HB TYR 68 7.801 4.403 -3.769
220 HB3 TYR 68 2HB TYR 68 9.144 4.023 -4.842
221 HD1 TYR 68 HD1 TYR 68 6.406 2.007 -3.274
222 HD2 TYR 68 HD2 TYR 68 8.406 3.167 -6.846
223 HE1 TYR 68 HE1 TYR 68 4.939 0.519 -4.571
224 HE2 TYR 68 HE2 TYR 68 6.943 1.683 -8.153
225 HH TYR 68 HH TYR 68 5.519 -0.168 -7.922
226 H ASP 69 H ASP 69 10.245 4.687 -1.612
227 HA ASP 69 HA ASP 69 12.769 4.675 -3.036
228 HB2 ASP 69 1HB ASP 69 11.568 6.755 -2.136
229 HB3 ASP 69 2HB ASP 69 12.145 6.257 -0.548
230 H GLN 70 H GLN 70 11.530 3.767 0.140
231 HA GLN 70 HA GLN 70 13.914 3.250 1.458
232 HB2 GLN 70 1HB GLN 70 11.246 1.849 1.674
233 HB3 GLN 70 2HB GLN 70 12.578 1.593 2.793
234 HG2 GLN 70 1HG GLN 70 10.946 4.069 2.368
235 HG3 GLN 70 2HG GLN 70 11.167 3.132 3.845
236 HE21 GLN 70 1HE2 GLN 70 13.649 6.146 2.915
237 HE22 GLN 70 2HE2 GLN 70 12.273 5.722 1.960
238 H ARG 71 H ARG 71 11.954 1.010 -0.496
239 HA ARG 71 HA ARG 71 14.178 -0.896 -0.485
240 HB2 ARG 71 1HB ARG 71 12.502 -2.449 -1.518
241 HB3 ARG 71 2HB ARG 71 12.084 -1.894 0.097
242 HG2 ARG 71 1HG ARG 71 10.954 -0.081 -1.768
243 HG3 ARG 71 2HG ARG 71 10.562 -1.722 -2.284
244 HD2 ARG 71 1HD ARG 71 10.122 -0.631 0.492
245 HD3 ARG 71 2HD ARG 71 8.879 -0.750 -0.752
246 HE ARG 71 HE ARG 71 9.847 -2.857 0.908
247 HH11 ARG 71 1HH1 ARG 71 8.555 -2.142 -2.245
248 HH12 ARG 71 2HH1 ARG 71 7.904 -3.729 -2.482
249 HH21 ARG 71 1HH2 ARG 71 8.994 -4.951 0.608
250 HH22 ARG 71 2HH2 ARG 71 8.153 -5.326 -0.858
251 H GLN 72 H GLN 72 14.386 1.532 -2.001
252 HA GLN 72 HA GLN 72 14.960 2.295 -4.068
253 HB2 GLN 72 1HB GLN 72 15.842 -0.500 -3.937
254 HB3 GLN 72 2HB GLN 72 15.650 0.109 -5.576
255 HG2 GLN 72 1HG GLN 72 17.004 2.150 -4.405
256 HG3 GLN 72 2HG GLN 72 17.654 0.756 -3.543
257 HE21 GLN 72 1HE2 GLN 72 19.560 1.522 -6.699
258 HE22 GLN 72 2HE2 GLN 72 18.999 2.513 -5.399
Start of MODEL 3
1 H ILE 40 H ILE 40 3.923 -1.166 -3.139
2 HA ILE 40 HA ILE 40 5.253 -2.522 -0.888
3 HB ILE 40 HB ILE 40 5.228 -0.426 0.309
4 HG12 ILE 40 1HG1 ILE 40 4.544 1.561 -1.465
5 HG13 ILE 40 2HG1 ILE 40 3.346 0.320 -1.815
6 HG21 ILE 40 1HG2 ILE 40 6.625 0.968 -1.301
7 HG22 ILE 40 2HG2 ILE 40 7.174 -0.676 -0.978
8 HG23 ILE 40 3HG2 ILE 40 6.330 -0.309 -2.481
9 HD11 ILE 40 1HD1 ILE 40 3.172 0.319 0.840
10 HD12 ILE 40 2HD1 ILE 40 3.710 1.981 0.595
11 HD13 ILE 40 3HD1 ILE 40 2.235 1.408 -0.183
12 H ALA 41 H ALA 41 2.236 -1.489 -2.204
13 HA ALA 41 HA ALA 41 0.701 -3.070 -0.475
14 HB1 ALA 41 1HB ALA 41 1.035 -1.625 1.317
15 HB2 ALA 41 2HB ALA 41 0.941 -0.186 0.300
16 HB3 ALA 41 3HB ALA 41 -0.518 -1.109 0.660
17 H LEU 42 H LEU 42 0.775 -0.163 -2.476
18 HA LEU 42 HA LEU 42 -1.548 -1.170 -3.937
19 HB2 LEU 42 1HB LEU 42 -1.441 1.745 -3.322
20 HB3 LEU 42 2HB LEU 42 -2.824 0.738 -3.748
21 HG LEU 42 HG LEU 42 -2.322 -0.331 -1.380
22 HD11 LEU 42 1HD1 LEU 42 -1.053 0.832 0.040
23 HD12 LEU 42 2HD1 LEU 42 -1.711 2.379 -0.493
24 HD13 LEU 42 3HD1 LEU 42 -0.399 1.622 -1.395
25 HD21 LEU 42 1HD2 LEU 42 -4.441 0.560 -1.799
26 HD22 LEU 42 2HD2 LEU 42 -3.812 2.190 -2.040
27 HD23 LEU 42 3HD2 LEU 42 -3.850 1.489 -0.421
28 HA PRO 43 HA PRO 43 1.897 0.323 -6.666
29 HB2 PRO 43 1HB PRO 43 1.872 -1.859 -8.282
30 HB3 PRO 43 2HB PRO 43 2.811 -1.782 -6.786
31 HG2 PRO 43 1HG PRO 43 0.147 -3.052 -7.288
32 HG3 PRO 43 2HG PRO 43 1.525 -3.673 -6.362
33 HD2 PRO 43 1HD PRO 43 -0.631 -2.540 -5.180
34 HD3 PRO 43 2HD PRO 43 1.005 -2.414 -4.502
35 H ALA 44 H ALA 44 -0.128 1.755 -7.049
36 HA ALA 44 HA ALA 44 -0.823 1.477 -9.843
37 HB1 ALA 44 1HB ALA 44 -3.222 1.990 -8.231
38 HB2 ALA 44 2HB ALA 44 -3.014 1.010 -9.684
39 HB3 ALA 44 3HB ALA 44 -2.577 0.353 -8.106
40 H PHE 45 H PHE 45 0.547 3.319 -7.852
41 HA PHE 45 HA PHE 45 -1.014 5.761 -8.339
42 HB2 PHE 45 1HB PHE 45 0.345 6.797 -6.589
43 HB3 PHE 45 2HB PHE 45 -0.417 5.327 -5.992
44 HD1 PHE 45 HD1 PHE 45 2.739 6.905 -6.953
45 HD2 PHE 45 HD2 PHE 45 0.893 3.382 -5.437
46 HE1 PHE 45 HE1 PHE 45 4.940 6.056 -6.254
47 HE2 PHE 45 HE2 PHE 45 3.091 2.528 -4.735
48 HZ PHE 45 HZ PHE 45 5.118 3.866 -5.143
49 H SER 46 H SER 46 1.421 4.034 -9.700
50 HA SER 46 HA SER 46 3.472 5.818 -10.236
51 HB2 SER 46 1HB SER 46 4.235 4.139 -11.522
52 HB3 SER 46 2HB SER 46 2.774 3.258 -11.078
53 HG SER 46 HG SER 46 3.268 4.806 -13.389
54 H GLN 47 H GLN 47 0.354 5.439 -11.848
55 HA GLN 47 HA GLN 47 0.403 8.137 -12.779
56 HB2 GLN 47 1HB GLN 47 1.813 7.297 -14.515
57 HB3 GLN 47 2HB GLN 47 0.776 5.899 -14.767
58 HG2 GLN 47 1HG GLN 47 -0.736 8.304 -15.121
59 HG3 GLN 47 2HG GLN 47 0.719 8.353 -16.115
60 HE21 GLN 47 1HE2 GLN 47 -0.291 5.164 -17.701
61 HE22 GLN 47 2HE2 GLN 47 1.025 5.685 -16.711
62 H VAL 48 H VAL 48 -1.613 8.682 -12.282
63 HA VAL 48 HA VAL 48 -3.820 7.205 -13.462
64 HB VAL 48 HB VAL 48 -3.649 7.651 -10.479
65 HG11 VAL 48 1HG1 VAL 48 -5.890 8.021 -10.994
66 HG12 VAL 48 2HG1 VAL 48 -5.897 6.805 -12.273
67 HG13 VAL 48 3HG1 VAL 48 -5.841 6.308 -10.581
68 HG21 VAL 48 1HG2 VAL 48 -3.973 5.114 -10.509
69 HG22 VAL 48 2HG2 VAL 48 -3.497 5.198 -12.205
70 HG23 VAL 48 3HG2 VAL 48 -2.383 5.736 -10.948
71 H ASP 49 H ASP 49 -3.491 9.618 -10.859
72 HA ASP 49 HA ASP 49 -4.140 11.859 -12.412
73 HB2 ASP 49 1HB ASP 49 -6.373 10.230 -11.951
74 HB3 ASP 49 2HB ASP 49 -6.531 11.561 -10.808
75 HA PRO 50 HA PRO 50 -2.749 13.745 -8.693
76 HB2 PRO 50 1HB PRO 50 -3.601 16.286 -9.127
77 HB3 PRO 50 2HB PRO 50 -2.230 15.573 -9.985
78 HG2 PRO 50 1HG PRO 50 -5.065 15.904 -10.888
79 HG3 PRO 50 2HG PRO 50 -3.564 16.184 -11.789
80 HD2 PRO 50 1HD PRO 50 -5.043 13.935 -12.085
81 HD3 PRO 50 2HD PRO 50 -3.275 13.945 -12.251
82 H GLU 51 H GLU 51 -6.103 14.304 -9.682
83 HA GLU 51 HA GLU 51 -7.080 15.375 -7.299
84 HB2 GLU 51 1HB GLU 51 -8.381 13.754 -9.476
85 HB3 GLU 51 2HB GLU 51 -9.291 14.324 -8.084
86 HG2 GLU 51 1HG GLU 51 -7.790 16.488 -9.199
87 HG3 GLU 51 2HG GLU 51 -8.730 15.697 -10.463
88 H VAL 52 H VAL 52 -6.097 12.172 -8.064
89 HA VAL 52 HA VAL 52 -7.546 10.970 -5.849
90 HB VAL 52 HB VAL 52 -5.423 9.500 -7.345
91 HG11 VAL 52 1HG1 VAL 52 -8.057 8.845 -6.067
92 HG12 VAL 52 2HG1 VAL 52 -7.266 7.727 -7.180
93 HG13 VAL 52 3HG1 VAL 52 -6.456 8.211 -5.689
94 HG21 VAL 52 1HG2 VAL 52 -6.374 10.344 -9.252
95 HG22 VAL 52 2HG2 VAL 52 -7.414 8.947 -8.974
96 HG23 VAL 52 3HG2 VAL 52 -7.956 10.558 -8.502
97 H PHE 53 H PHE 53 -4.147 11.443 -6.804
98 HA PHE 53 HA PHE 53 -3.020 10.445 -4.431
99 HB2 PHE 53 1HB PHE 53 -1.993 11.184 -6.803
100 HB3 PHE 53 2HB PHE 53 -1.582 12.613 -5.860
101 HD1 PHE 53 HD1 PHE 53 -0.480 9.465 -6.867
102 HD2 PHE 53 HD2 PHE 53 -0.502 12.067 -3.499
103 HE1 PHE 53 HE1 PHE 53 1.478 8.290 -5.951
104 HE2 PHE 53 HE2 PHE 53 1.456 10.897 -2.578
105 HZ PHE 53 HZ PHE 53 2.449 9.006 -3.805
106 H ALA 54 H ALA 54 -3.916 13.729 -5.404
107 HA ALA 54 HA ALA 54 -2.982 14.942 -2.989
108 HB1 ALA 54 1HB ALA 54 -3.922 16.964 -3.818
109 HB2 ALA 54 2HB ALA 54 -3.222 16.111 -5.194
110 HB3 ALA 54 3HB ALA 54 -4.967 16.091 -4.940
111 H ALA 55 H ALA 55 -5.799 13.221 -3.862
112 HA ALA 55 HA ALA 55 -7.692 14.427 -2.154
113 HB1 ALA 55 1HB ALA 55 -9.001 13.016 -3.253
114 HB2 ALA 55 2HB ALA 55 -7.590 12.182 -3.905
115 HB3 ALA 55 3HB ALA 55 -8.283 11.672 -2.365
116 H LEU 56 H LEU 56 -5.354 11.826 -1.661
117 HA LEU 56 HA LEU 56 -6.258 11.308 1.029
118 HB2 LEU 56 1HB LEU 56 -4.093 10.256 -0.734
119 HB3 LEU 56 2HB LEU 56 -4.005 9.970 1.002
120 HG LEU 56 HG LEU 56 -6.566 9.260 -0.270
121 HD11 LEU 56 1HD1 LEU 56 -5.275 8.445 -2.045
122 HD12 LEU 56 2HD1 LEU 56 -5.525 7.049 -0.997
123 HD13 LEU 56 3HD1 LEU 56 -3.982 7.904 -0.973
124 HD21 LEU 56 1HD2 LEU 56 -4.701 7.979 1.719
125 HD22 LEU 56 2HD2 LEU 56 -6.209 7.247 1.172
126 HD23 LEU 56 3HD2 LEU 56 -6.238 8.781 2.044
127 HA PRO 57 HA PRO 57 -3.692 14.071 3.272
128 HB2 PRO 57 1HB PRO 57 -2.907 12.557 5.384
129 HB3 PRO 57 2HB PRO 57 -4.557 13.163 5.197
130 HG2 PRO 57 1HG PRO 57 -3.452 10.452 4.571
131 HG3 PRO 57 2HG PRO 57 -4.979 10.882 5.363
132 HD2 PRO 57 1HD PRO 57 -4.842 10.171 2.754
133 HD3 PRO 57 2HD PRO 57 -6.034 11.336 3.365
134 H ALA 58 H ALA 58 -1.613 14.761 3.336
135 HA ALA 58 HA ALA 58 0.370 13.615 1.813
136 HB1 ALA 58 1HB ALA 58 1.878 15.189 2.745
137 HB2 ALA 58 2HB ALA 58 0.293 15.965 2.712
138 HB3 ALA 58 3HB ALA 58 0.929 15.323 4.226
139 H GLU 59 H GLU 59 -0.233 13.210 5.274
140 HA GLU 59 HA GLU 59 2.039 11.854 6.041
141 HB2 GLU 59 1HB GLU 59 0.268 12.548 7.598
142 HB3 GLU 59 2HB GLU 59 -0.796 11.313 6.940
143 HG2 GLU 59 1HG GLU 59 -0.039 10.233 8.789
144 HG3 GLU 59 2HG GLU 59 1.177 9.716 7.622
145 H LEU 60 H LEU 60 -0.801 10.617 4.361
146 HA LEU 60 HA LEU 60 0.228 7.904 4.373
147 HB2 LEU 60 1HB LEU 60 -2.218 9.123 3.104
148 HB3 LEU 60 2HB LEU 60 -1.811 7.410 3.041
149 HG LEU 60 HG LEU 60 -2.359 8.941 5.581
150 HD11 LEU 60 1HD1 LEU 60 -4.541 8.156 5.569
151 HD12 LEU 60 2HD1 LEU 60 -4.202 6.933 4.345
152 HD13 LEU 60 3HD1 LEU 60 -4.283 8.635 3.891
153 HD21 LEU 60 1HD2 LEU 60 -0.993 6.603 5.264
154 HD22 LEU 60 2HD2 LEU 60 -2.643 6.028 5.505
155 HD23 LEU 60 3HD2 LEU 60 -1.885 7.066 6.713
156 H GLN 61 H GLN 61 -0.235 10.555 2.090
157 HA GLN 61 HA GLN 61 0.475 9.171 -0.249
158 HB2 GLN 61 1HB GLN 61 0.014 11.136 -1.205
159 HB3 GLN 61 2HB GLN 61 -0.289 11.771 0.407
160 HG2 GLN 61 1HG GLN 61 1.895 12.646 0.580
161 HG3 GLN 61 2HG GLN 61 2.442 11.752 -0.838
162 HE21 GLN 61 1HE2 GLN 61 -0.222 14.711 -1.715
163 HE22 GLN 61 2HE2 GLN 61 -0.577 13.515 -0.520
164 H ARG 62 H ARG 62 2.366 10.374 2.366
165 HA ARG 62 HA ARG 62 4.850 10.361 0.871
166 HB2 ARG 62 1HB ARG 62 5.894 11.073 2.920
167 HB3 ARG 62 2HB ARG 62 4.418 12.003 2.693
168 HG2 ARG 62 1HG ARG 62 3.318 10.927 4.420
169 HG3 ARG 62 2HG ARG 62 4.398 9.532 4.372
170 HD2 ARG 62 1HD ARG 62 6.235 11.088 5.134
171 HD3 ARG 62 2HD ARG 62 4.979 12.290 5.426
172 HE ARG 62 HE ARG 62 4.354 11.136 7.306
173 HH11 ARG 62 1HH1 ARG 62 6.432 9.133 5.360
174 HH12 ARG 62 2HH1 ARG 62 6.590 7.899 6.567
175 HH21 ARG 62 1HH2 ARG 62 4.554 9.519 8.902
176 HH22 ARG 62 2HH2 ARG 62 5.521 8.120 8.580
177 H GLU 63 H GLU 63 3.004 8.215 2.852
178 HA GLU 63 HA GLU 63 5.165 6.466 3.541
179 HB2 GLU 63 1HB GLU 63 3.254 6.491 4.982
180 HB3 GLU 63 2HB GLU 63 2.166 6.150 3.643
181 HG2 GLU 63 1HG GLU 63 2.544 3.944 3.725
182 HG3 GLU 63 2HG GLU 63 4.261 4.144 4.066
183 H LEU 64 H LEU 64 3.000 6.803 0.855
184 HA LEU 64 HA LEU 64 3.533 4.159 -0.191
185 HB2 LEU 64 1HB LEU 64 1.998 4.644 -1.867
186 HB3 LEU 64 2HB LEU 64 1.372 5.496 -0.457
187 HG LEU 64 HG LEU 64 2.731 7.505 -1.535
188 HD11 LEU 64 1HD1 LEU 64 2.727 5.472 -3.590
189 HD12 LEU 64 2HD1 LEU 64 3.574 7.017 -3.532
190 HD13 LEU 64 3HD1 LEU 64 1.915 6.944 -4.126
191 HD21 LEU 64 1HD2 LEU 64 0.174 6.933 -2.915
192 HD22 LEU 64 2HD2 LEU 64 0.703 8.381 -2.058
193 HD23 LEU 64 3HD2 LEU 64 0.149 6.972 -1.152
194 H LYS 65 H LYS 65 4.565 7.469 -0.779
195 HA LYS 65 HA LYS 65 6.086 6.827 -3.125
196 HB2 LYS 65 1HB LYS 65 6.199 9.270 -1.345
197 HB3 LYS 65 2HB LYS 65 6.937 9.125 -2.935
198 HG2 LYS 65 1HG LYS 65 4.892 9.175 -4.029
199 HG3 LYS 65 2HG LYS 65 3.994 8.722 -2.578
200 HD2 LYS 65 1HD LYS 65 3.521 10.920 -2.472
201 HD3 LYS 65 2HD LYS 65 5.138 11.047 -1.775
202 HE2 LYS 65 1HE LYS 65 6.073 11.783 -3.780
203 HE3 LYS 65 2HE LYS 65 4.723 11.179 -4.740
204 HZ1 LYS 65 1HZ LYS 65 5.044 13.711 -3.425
205 HZ2 LYS 65 2HZ LYS 65 3.556 12.982 -3.089
206 HZ3 LYS 65 3HZ LYS 65 4.011 13.276 -4.692
207 H ALA 66 H ALA 66 6.869 7.500 0.272
208 HA ALA 66 HA ALA 66 9.667 7.232 -0.001
209 HB1 ALA 66 1HB ALA 66 9.660 6.978 2.464
210 HB2 ALA 66 2HB ALA 66 8.736 8.372 1.902
211 HB3 ALA 66 3HB ALA 66 7.898 6.909 2.418
212 H ALA 67 H ALA 67 7.132 4.933 0.926
213 HA ALA 67 HA ALA 67 8.672 2.763 1.656
214 HB1 ALA 67 1HB ALA 67 6.005 2.914 0.280
215 HB2 ALA 67 2HB ALA 67 6.730 1.381 0.768
216 HB3 ALA 67 3HB ALA 67 6.349 2.603 1.982
217 H TYR 68 H TYR 68 7.686 3.762 -1.598
218 HA TYR 68 HA TYR 68 8.790 1.545 -2.956
219 HB2 TYR 68 1HB TYR 68 7.633 4.142 -3.673
220 HB3 TYR 68 2HB TYR 68 8.877 3.594 -4.791
221 HD1 TYR 68 HD1 TYR 68 8.047 2.524 -6.648
222 HD2 TYR 68 HD2 TYR 68 6.039 2.006 -2.933
223 HE1 TYR 68 HE1 TYR 68 6.416 1.045 -7.744
224 HE2 TYR 68 HE2 TYR 68 4.402 0.525 -4.018
225 HH TYR 68 HH TYR 68 4.681 -0.319 -7.453
226 H ASP 69 H ASP 69 10.171 4.445 -1.670
227 HA ASP 69 HA ASP 69 12.616 4.223 -3.208
228 HB2 ASP 69 1HB ASP 69 11.360 6.335 -2.013
229 HB3 ASP 69 2HB ASP 69 12.618 5.968 -0.836
230 H GLN 70 H GLN 70 11.504 3.575 0.076
231 HA GLN 70 HA GLN 70 13.913 3.055 1.329
232 HB2 GLN 70 1HB GLN 70 11.225 1.733 1.714
233 HB3 GLN 70 2HB GLN 70 12.590 1.509 2.800
234 HG2 GLN 70 1HG GLN 70 11.000 3.997 2.290
235 HG3 GLN 70 2HG GLN 70 11.246 3.136 3.809
236 HE21 GLN 70 1HE2 GLN 70 13.748 6.048 2.661
237 HE22 GLN 70 2HE2 GLN 70 12.321 5.619 1.788
238 H ARG 71 H ARG 71 11.831 0.759 -0.423
239 HA ARG 71 HA ARG 71 13.592 -1.443 -0.129
240 HB2 ARG 71 1HB ARG 71 11.478 -1.011 -2.247
241 HB3 ARG 71 2HB ARG 71 12.192 -2.549 -1.783
242 HG2 ARG 71 1HG ARG 71 10.445 -0.795 -0.071
243 HG3 ARG 71 2HG ARG 71 9.997 -2.332 -0.814
244 HD2 ARG 71 1HD ARG 71 12.320 -2.878 0.622
245 HD3 ARG 71 2HD ARG 71 11.383 -1.813 1.669
246 HE ARG 71 HE ARG 71 9.587 -3.678 0.794
247 HH11 ARG 71 1HH1 ARG 71 12.650 -3.781 2.446
248 HH12 ARG 71 2HH1 ARG 71 12.282 -5.236 3.311
249 HH21 ARG 71 1HH2 ARG 71 9.091 -5.594 1.927
250 HH22 ARG 71 2HH2 ARG 71 10.258 -6.267 3.015
251 H GLN 72 H GLN 72 13.578 1.273 -2.217
252 HA GLN 72 HA GLN 72 15.584 -0.007 -3.953
253 HB2 GLN 72 1HB GLN 72 13.739 2.318 -4.516
254 HB3 GLN 72 2HB GLN 72 15.020 1.789 -5.597
255 HG2 GLN 72 1HG GLN 72 13.219 -0.358 -4.797
256 HG3 GLN 72 2HG GLN 72 12.419 0.952 -5.665
257 HE21 GLN 72 1HE2 GLN 72 15.133 -1.443 -7.542
258 HE22 GLN 72 2HE2 GLN 72 15.040 -1.381 -5.818
Start of MODEL 4
1 H ILE 40 H ILE 40 6.243 -2.326 1.029
2 HA ILE 40 HA ILE 40 4.101 -2.720 -0.272
3 HB ILE 40 HB ILE 40 5.335 -0.228 0.413
4 HG12 ILE 40 1HG1 ILE 40 2.452 -1.060 0.028
5 HG13 ILE 40 2HG1 ILE 40 3.378 -1.174 1.520
6 HG21 ILE 40 1HG2 ILE 40 3.627 -0.145 -2.070
7 HG22 ILE 40 2HG2 ILE 40 4.163 1.255 -1.143
8 HG23 ILE 40 3HG2 ILE 40 5.344 0.245 -1.975
9 HD11 ILE 40 1HD1 ILE 40 2.112 0.724 1.840
10 HD12 ILE 40 2HD1 ILE 40 3.643 1.382 1.263
11 HD13 ILE 40 3HD1 ILE 40 2.273 1.241 0.162
12 H ALA 41 H ALA 41 3.093 -2.577 -2.284
13 HA ALA 41 HA ALA 41 4.309 -1.616 -4.634
14 HB1 ALA 41 1HB ALA 41 5.418 -3.345 -5.530
15 HB2 ALA 41 2HB ALA 41 5.492 -3.948 -3.874
16 HB3 ALA 41 3HB ALA 41 4.234 -4.524 -4.967
17 H LEU 42 H LEU 42 1.774 -1.480 -3.405
18 HA LEU 42 HA LEU 42 -0.088 -3.241 -4.639
19 HB2 LEU 42 1HB LEU 42 -0.236 -0.725 -3.068
20 HB3 LEU 42 2HB LEU 42 -1.646 -1.186 -4.018
21 HG LEU 42 HG LEU 42 -0.696 -3.410 -2.442
22 HD11 LEU 42 1HD1 LEU 42 -0.964 -0.773 -1.104
23 HD12 LEU 42 2HD1 LEU 42 0.076 -2.142 -0.714
24 HD13 LEU 42 3HD1 LEU 42 -1.636 -2.190 -0.296
25 HD21 LEU 42 1HD2 LEU 42 -3.134 -2.921 -1.516
26 HD22 LEU 42 2HD2 LEU 42 -2.861 -3.650 -3.099
27 HD23 LEU 42 3HD2 LEU 42 -3.210 -1.926 -2.970
28 HA PRO 43 HA PRO 43 -0.731 -1.463 -8.597
29 HB2 PRO 43 1HB PRO 43 -3.425 -1.636 -8.889
30 HB3 PRO 43 2HB PRO 43 -2.361 -3.046 -8.941
31 HG2 PRO 43 1HG PRO 43 -4.026 -2.013 -6.678
32 HG3 PRO 43 2HG PRO 43 -3.794 -3.684 -7.225
33 HD2 PRO 43 1HD PRO 43 -2.485 -2.655 -5.090
34 HD3 PRO 43 2HD PRO 43 -1.768 -3.889 -6.146
35 H ALA 44 H ALA 44 -1.934 0.042 -5.816
36 HA ALA 44 HA ALA 44 -3.466 2.144 -6.846
37 HB1 ALA 44 1HB ALA 44 -2.640 1.362 -4.349
38 HB2 ALA 44 2HB ALA 44 -1.806 2.900 -4.573
39 HB3 ALA 44 3HB ALA 44 -3.562 2.820 -4.720
40 H PHE 45 H PHE 45 -0.095 1.537 -7.033
41 HA PHE 45 HA PHE 45 0.744 4.249 -7.395
42 HB2 PHE 45 1HB PHE 45 2.078 1.597 -7.944
43 HB3 PHE 45 2HB PHE 45 2.858 3.142 -8.267
44 HD1 PHE 45 HD1 PHE 45 4.222 4.015 -6.645
45 HD2 PHE 45 HD2 PHE 45 1.075 1.388 -5.499
46 HE1 PHE 45 HE1 PHE 45 4.994 4.114 -4.310
47 HE2 PHE 45 HE2 PHE 45 1.841 1.483 -3.163
48 HZ PHE 45 HZ PHE 45 3.802 2.848 -2.566
49 H SER 46 H SER 46 -1.031 2.192 -9.296
50 HA SER 46 HA SER 46 -0.048 2.412 -11.860
51 HB2 SER 46 1HB SER 46 -1.906 1.106 -11.928
52 HB3 SER 46 2HB SER 46 -2.721 2.026 -10.663
53 HG SER 46 HG SER 46 -3.824 2.419 -12.532
54 H GLN 47 H GLN 47 -1.679 4.819 -9.918
55 HA GLN 47 HA GLN 47 -1.973 7.058 -10.188
56 HB2 GLN 47 1HB GLN 47 0.471 6.532 -11.327
57 HB3 GLN 47 2HB GLN 47 -0.380 7.348 -12.632
58 HG2 GLN 47 1HG GLN 47 -0.335 8.502 -9.873
59 HG3 GLN 47 2HG GLN 47 1.013 8.744 -10.983
60 HE21 GLN 47 1HE2 GLN 47 -2.536 10.650 -11.546
61 HE22 GLN 47 2HE2 GLN 47 -2.382 9.344 -10.426
62 H VAL 48 H VAL 48 -3.971 7.555 -10.803
63 HA VAL 48 HA VAL 48 -4.709 7.151 -13.629
64 HB VAL 48 HB VAL 48 -6.096 5.791 -12.198
65 HG11 VAL 48 1HG1 VAL 48 -5.736 7.137 -10.135
66 HG12 VAL 48 2HG1 VAL 48 -6.900 8.312 -10.753
67 HG13 VAL 48 3HG1 VAL 48 -7.415 6.663 -10.395
68 HG21 VAL 48 1HG2 VAL 48 -8.085 6.318 -13.173
69 HG22 VAL 48 2HG2 VAL 48 -7.959 8.030 -12.769
70 HG23 VAL 48 3HG2 VAL 48 -7.033 7.372 -14.118
71 H ASP 49 H ASP 49 -4.983 9.325 -10.853
72 HA ASP 49 HA ASP 49 -5.021 11.609 -12.623
73 HB2 ASP 49 1HB ASP 49 -7.469 10.567 -11.585
74 HB3 ASP 49 2HB ASP 49 -7.148 12.110 -10.800
75 HA PRO 50 HA PRO 50 -2.834 13.467 -9.304
76 HB2 PRO 50 1HB PRO 50 -3.455 16.085 -9.668
77 HB3 PRO 50 2HB PRO 50 -2.366 15.198 -10.742
78 HG2 PRO 50 1HG PRO 50 -5.264 15.854 -11.104
79 HG3 PRO 50 2HG PRO 50 -3.943 15.936 -12.283
80 HD2 PRO 50 1HD PRO 50 -5.699 13.877 -12.206
81 HD3 PRO 50 2HD PRO 50 -4.008 13.671 -12.703
82 H GLU 51 H GLU 51 -6.195 14.564 -9.673
83 HA GLU 51 HA GLU 51 -6.524 15.681 -7.136
84 HB2 GLU 51 1HB GLU 51 -8.157 15.121 -9.373
85 HB3 GLU 51 2HB GLU 51 -8.952 14.400 -7.980
86 HG2 GLU 51 1HG GLU 51 -8.931 16.524 -6.825
87 HG3 GLU 51 2HG GLU 51 -8.048 17.264 -8.159
88 H VAL 52 H VAL 52 -6.298 12.395 -8.120
89 HA VAL 52 HA VAL 52 -7.638 11.271 -5.842
90 HB VAL 52 HB VAL 52 -5.662 9.797 -7.563
91 HG11 VAL 52 1HG1 VAL 52 -7.468 7.997 -7.147
92 HG12 VAL 52 2HG1 VAL 52 -6.371 8.420 -5.831
93 HG13 VAL 52 3HG1 VAL 52 -8.011 9.067 -5.856
94 HG21 VAL 52 1HG2 VAL 52 -7.598 9.248 -9.046
95 HG22 VAL 52 2HG2 VAL 52 -8.513 10.515 -8.229
96 HG23 VAL 52 3HG2 VAL 52 -7.061 10.925 -9.142
97 H PHE 53 H PHE 53 -4.239 11.604 -6.840
98 HA PHE 53 HA PHE 53 -3.167 10.461 -4.479
99 HB2 PHE 53 1HB PHE 53 -2.101 11.002 -6.863
100 HB3 PHE 53 2HB PHE 53 -1.579 12.456 -6.018
101 HD1 PHE 53 HD1 PHE 53 -0.643 9.243 -6.890
102 HD2 PHE 53 HD2 PHE 53 -0.571 11.923 -3.584
103 HE1 PHE 53 HE1 PHE 53 1.244 7.994 -5.923
104 HE2 PHE 53 HE2 PHE 53 1.316 10.680 -2.613
105 HZ PHE 53 HZ PHE 53 2.227 8.713 -3.782
106 H ALA 54 H ALA 54 -3.916 13.763 -5.452
107 HA ALA 54 HA ALA 54 -2.748 14.957 -3.120
108 HB1 ALA 54 1HB ALA 54 -4.722 16.168 -5.050
109 HB2 ALA 54 2HB ALA 54 -3.662 17.027 -3.931
110 HB3 ALA 54 3HB ALA 54 -2.974 16.137 -5.289
111 H ALA 55 H ALA 55 -5.736 13.450 -3.844
112 HA ALA 55 HA ALA 55 -7.420 14.807 -2.022
113 HB1 ALA 55 1HB ALA 55 -8.715 13.598 -3.427
114 HB2 ALA 55 2HB ALA 55 -7.537 12.293 -3.568
115 HB3 ALA 55 3HB ALA 55 -8.576 12.393 -2.147
116 H LEU 56 H LEU 56 -5.300 12.003 -1.705
117 HA LEU 56 HA LEU 56 -6.124 11.425 0.984
118 HB2 LEU 56 1HB LEU 56 -3.526 10.465 -0.096
119 HB3 LEU 56 2HB LEU 56 -4.718 9.621 0.891
120 HG LEU 56 HG LEU 56 -4.874 10.153 -2.074
121 HD11 LEU 56 1HD1 LEU 56 -4.590 7.829 -2.356
122 HD12 LEU 56 2HD1 LEU 56 -4.789 7.517 -0.632
123 HD13 LEU 56 3HD1 LEU 56 -3.341 8.335 -1.218
124 HD21 LEU 56 1HD2 LEU 56 -6.888 9.132 -0.111
125 HD22 LEU 56 2HD2 LEU 56 -6.905 8.573 -1.784
126 HD23 LEU 56 3HD2 LEU 56 -7.093 10.290 -1.425
127 HA PRO 57 HA PRO 57 -3.477 14.068 3.278
128 HB2 PRO 57 1HB PRO 57 -2.783 12.484 5.371
129 HB3 PRO 57 2HB PRO 57 -4.402 13.168 5.179
130 HG2 PRO 57 1HG PRO 57 -3.415 10.420 4.516
131 HG3 PRO 57 2HG PRO 57 -4.929 10.906 5.302
132 HD2 PRO 57 1HD PRO 57 -4.798 10.234 2.682
133 HD3 PRO 57 2HD PRO 57 -5.942 11.442 3.302
134 H ALA 58 H ALA 58 -1.382 14.674 3.294
135 HA ALA 58 HA ALA 58 0.560 13.423 1.802
136 HB1 ALA 58 1HB ALA 58 2.167 14.805 3.335
137 HB2 ALA 58 2HB ALA 58 1.044 15.624 2.249
138 HB3 ALA 58 3HB ALA 58 0.661 15.474 3.964
139 H GLU 59 H GLU 59 -0.246 12.946 5.181
140 HA GLU 59 HA GLU 59 2.026 11.573 6.031
141 HB2 GLU 59 1HB GLU 59 0.427 12.258 7.658
142 HB3 GLU 59 2HB GLU 59 -0.862 11.362 6.868
143 HG2 GLU 59 1HG GLU 59 0.156 10.403 9.012
144 HG3 GLU 59 2HG GLU 59 -0.096 9.318 7.646
145 H LEU 60 H LEU 60 -0.858 10.406 4.361
146 HA LEU 60 HA LEU 60 0.118 7.673 4.370
147 HB2 LEU 60 1HB LEU 60 -2.159 7.639 4.587
148 HB3 LEU 60 2HB LEU 60 -2.386 9.049 3.554
149 HG LEU 60 HG LEU 60 -1.420 6.584 2.232
150 HD11 LEU 60 1HD1 LEU 60 -3.033 5.577 3.672
151 HD12 LEU 60 2HD1 LEU 60 -3.762 5.737 2.075
152 HD13 LEU 60 3HD1 LEU 60 -4.198 6.864 3.360
153 HD21 LEU 60 1HD2 LEU 60 -2.456 9.065 1.482
154 HD22 LEU 60 2HD2 LEU 60 -3.728 7.899 1.117
155 HD23 LEU 60 3HD2 LEU 60 -2.116 7.688 0.434
156 H GLN 61 H GLN 61 -0.320 10.333 2.098
157 HA GLN 61 HA GLN 61 0.323 8.912 -0.250
158 HB2 GLN 61 1HB GLN 61 -0.126 10.870 -1.231
159 HB3 GLN 61 2HB GLN 61 -0.451 11.506 0.376
160 HG2 GLN 61 1HG GLN 61 1.740 12.386 0.567
161 HG3 GLN 61 2HG GLN 61 2.282 11.521 -0.870
162 HE21 GLN 61 1HE2 GLN 61 -0.409 14.484 -1.659
163 HE22 GLN 61 2HE2 GLN 61 -0.739 13.271 -0.473
164 H ARG 62 H ARG 62 2.272 10.280 2.274
165 HA ARG 62 HA ARG 62 4.721 10.194 0.746
166 HB2 ARG 62 1HB ARG 62 5.800 10.985 2.732
167 HB3 ARG 62 2HB ARG 62 4.288 11.866 2.561
168 HG2 ARG 62 1HG ARG 62 3.774 11.295 4.633
169 HG3 ARG 62 2HG ARG 62 3.700 9.609 4.117
170 HD2 ARG 62 1HD ARG 62 5.910 9.195 4.763
171 HD3 ARG 62 2HD ARG 62 6.305 10.912 4.829
172 HE ARG 62 HE ARG 62 4.306 10.396 6.715
173 HH11 ARG 62 1HH1 ARG 62 7.653 9.638 6.126
174 HH12 ARG 62 2HH1 ARG 62 8.048 9.480 7.806
175 HH21 ARG 62 1HH2 ARG 62 4.813 10.190 8.929
176 HH22 ARG 62 2HH2 ARG 62 6.432 9.793 9.399
177 H GLU 63 H GLU 63 2.924 8.083 2.805
178 HA GLU 63 HA GLU 63 5.086 6.367 3.534
179 HB2 GLU 63 1HB GLU 63 3.143 6.371 4.929
180 HB3 GLU 63 2HB GLU 63 2.091 6.007 3.568
181 HG2 GLU 63 1HG GLU 63 2.428 3.815 3.748
182 HG3 GLU 63 2HG GLU 63 4.167 4.009 3.961
183 H LEU 64 H LEU 64 2.916 6.589 0.821
184 HA LEU 64 HA LEU 64 3.585 3.962 -0.189
185 HB2 LEU 64 1HB LEU 64 2.018 4.335 -1.858
186 HB3 LEU 64 2HB LEU 64 1.360 5.200 -0.471
187 HG LEU 64 HG LEU 64 2.701 7.203 -1.666
188 HD11 LEU 64 1HD1 LEU 64 3.453 6.456 -3.649
189 HD12 LEU 64 2HD1 LEU 64 1.789 6.733 -4.161
190 HD13 LEU 64 3HD1 LEU 64 2.311 5.113 -3.699
191 HD21 LEU 64 1HD2 LEU 64 0.149 6.691 -1.062
192 HD22 LEU 64 2HD2 LEU 64 0.039 6.626 -2.821
193 HD23 LEU 64 3HD2 LEU 64 0.644 8.081 -2.028
194 H LYS 65 H LYS 65 4.515 7.293 -0.742
195 HA LYS 65 HA LYS 65 6.054 6.695 -3.104
196 HB2 LYS 65 1HB LYS 65 6.008 9.179 -1.380
197 HB3 LYS 65 2HB LYS 65 6.775 9.042 -2.956
198 HG2 LYS 65 1HG LYS 65 4.756 8.975 -4.080
199 HG3 LYS 65 2HG LYS 65 3.861 8.461 -2.649
200 HD2 LYS 65 1HD LYS 65 3.279 10.594 -2.369
201 HD3 LYS 65 2HD LYS 65 4.962 10.917 -1.945
202 HE2 LYS 65 1HE LYS 65 5.474 11.406 -4.270
203 HE3 LYS 65 2HE LYS 65 3.819 11.014 -4.736
204 HZ1 LYS 65 1HZ LYS 65 3.007 12.878 -3.536
205 HZ2 LYS 65 2HZ LYS 65 4.285 13.429 -4.496
206 HZ3 LYS 65 3HZ LYS 65 4.518 13.185 -2.839
207 H ALA 66 H ALA 66 6.735 7.390 0.301
208 HA ALA 66 HA ALA 66 9.559 7.309 0.055
209 HB1 ALA 66 1HB ALA 66 9.635 7.433 2.399
210 HB2 ALA 66 2HB ALA 66 8.189 8.332 1.939
211 HB3 ALA 66 3HB ALA 66 8.043 6.694 2.574
212 H ALA 67 H ALA 67 7.135 4.889 0.956
213 HA ALA 67 HA ALA 67 8.794 2.819 1.747
214 HB1 ALA 67 1HB ALA 67 6.927 1.321 0.880
215 HB2 ALA 67 2HB ALA 67 6.489 2.533 2.084
216 HB3 ALA 67 3HB ALA 67 6.119 2.808 0.381
217 H TYR 68 H TYR 68 7.919 3.869 -1.497
218 HA TYR 68 HA TYR 68 9.054 1.642 -2.852
219 HB2 TYR 68 1HB TYR 68 7.834 4.205 -3.577
220 HB3 TYR 68 2HB TYR 68 9.113 3.702 -4.677
221 HD1 TYR 68 HD1 TYR 68 6.634 1.627 -2.824
222 HD2 TYR 68 HD2 TYR 68 8.011 3.005 -6.606
223 HE1 TYR 68 HE1 TYR 68 5.063 0.102 -3.944
224 HE2 TYR 68 HE2 TYR 68 6.444 1.484 -7.737
225 HH TYR 68 HH TYR 68 5.264 -0.900 -6.897
226 H ASP 69 H ASP 69 10.339 4.560 -1.520
227 HA ASP 69 HA ASP 69 12.825 4.376 -3.014
228 HB2 ASP 69 1HB ASP 69 11.592 6.541 -2.192
229 HB3 ASP 69 2HB ASP 69 12.430 6.210 -0.678
230 H GLN 70 H GLN 70 11.623 3.790 0.246
231 HA GLN 70 HA GLN 70 13.994 3.400 1.610
232 HB2 GLN 70 1HB GLN 70 11.343 1.985 1.906
233 HB3 GLN 70 2HB GLN 70 12.670 1.807 3.046
234 HG2 GLN 70 1HG GLN 70 11.031 4.245 2.455
235 HG3 GLN 70 2HG GLN 70 11.243 3.403 3.990
236 HE21 GLN 70 1HE2 GLN 70 13.747 6.341 2.868
237 HE22 GLN 70 2HE2 GLN 70 12.395 5.842 1.916
238 H ARG 71 H ARG 71 12.093 0.966 -0.164
239 HA ARG 71 HA ARG 71 14.418 -0.828 -0.069
240 HB2 ARG 71 1HB ARG 71 12.882 -2.634 -0.579
241 HB3 ARG 71 2HB ARG 71 12.288 -1.724 0.804
242 HG2 ARG 71 1HG ARG 71 11.149 -0.545 -1.482
243 HG3 ARG 71 2HG ARG 71 10.991 -2.292 -1.673
244 HD2 ARG 71 1HD ARG 71 10.293 -0.989 0.927
245 HD3 ARG 71 2HD ARG 71 9.148 -0.960 -0.413
246 HE ARG 71 HE ARG 71 9.753 -3.176 1.264
247 HH11 ARG 71 1HH1 ARG 71 8.883 -2.309 -1.994
248 HH12 ARG 71 2HH1 ARG 71 8.128 -3.830 -2.336
249 HH21 ARG 71 1HH2 ARG 71 8.762 -5.183 0.825
250 HH22 ARG 71 2HH2 ARG 71 8.059 -5.464 -0.731
251 H GLN 72 H GLN 72 14.253 1.443 -1.865
252 HA GLN 72 HA GLN 72 14.596 1.994 -4.046
253 HB2 GLN 72 1HB GLN 72 15.886 -0.538 -3.582
254 HB3 GLN 72 2HB GLN 72 15.311 -0.455 -5.242
255 HG2 GLN 72 1HG GLN 72 16.772 1.166 -5.816
256 HG3 GLN 72 2HG GLN 72 16.728 1.924 -4.225
257 HE21 GLN 72 1HE2 GLN 72 19.975 0.730 -3.843
258 HE22 GLN 72 2HE2 GLN 72 18.944 2.097 -4.075
Start of MODEL 5
1 H ILE 40 H ILE 40 4.389 -3.689 -1.041
2 HA ILE 40 HA ILE 40 3.360 -1.669 -2.864
3 HB ILE 40 HB ILE 40 5.484 -0.618 -2.734
4 HG12 ILE 40 1HG1 ILE 40 7.035 -2.258 -1.033
5 HG13 ILE 40 2HG1 ILE 40 6.421 -3.303 -2.309
6 HG21 ILE 40 1HG2 ILE 40 5.211 -1.703 0.040
7 HG22 ILE 40 2HG2 ILE 40 5.569 -0.059 -0.487
8 HG23 ILE 40 3HG2 ILE 40 3.937 -0.705 -0.661
9 HD11 ILE 40 1HD1 ILE 40 8.233 -2.601 -3.413
10 HD12 ILE 40 2HD1 ILE 40 7.255 -1.171 -3.748
11 HD13 ILE 40 3HD1 ILE 40 8.410 -1.158 -2.416
12 H ALA 41 H ALA 41 5.465 -1.270 -4.565
13 HA ALA 41 HA ALA 41 6.359 -1.934 -6.551
14 HB1 ALA 41 1HB ALA 41 6.808 -4.101 -4.768
15 HB2 ALA 41 2HB ALA 41 6.398 -4.760 -6.352
16 HB3 ALA 41 3HB ALA 41 7.741 -3.629 -6.189
17 H LEU 42 H LEU 42 3.341 -2.208 -5.800
18 HA LEU 42 HA LEU 42 2.408 -4.084 -7.796
19 HB2 LEU 42 1HB LEU 42 1.112 -2.285 -5.795
20 HB3 LEU 42 2HB LEU 42 0.158 -2.938 -7.126
21 HG LEU 42 HG LEU 42 1.640 -5.027 -5.790
22 HD11 LEU 42 1HD1 LEU 42 1.103 -3.134 -3.986
23 HD12 LEU 42 2HD1 LEU 42 1.017 -4.857 -3.622
24 HD13 LEU 42 3HD1 LEU 42 -0.454 -3.961 -3.997
25 HD21 LEU 42 1HD2 LEU 42 -1.251 -4.434 -6.366
26 HD22 LEU 42 2HD2 LEU 42 -0.725 -5.894 -5.527
27 HD23 LEU 42 3HD2 LEU 42 -0.186 -5.581 -7.178
28 HA PRO 43 HA PRO 43 1.933 -1.346 -11.192
29 HB2 PRO 43 1HB PRO 43 -0.418 -2.172 -12.268
30 HB3 PRO 43 2HB PRO 43 1.071 -3.119 -12.372
31 HG2 PRO 43 1HG PRO 43 -1.237 -3.419 -10.490
32 HG3 PRO 43 2HG PRO 43 -0.326 -4.672 -11.352
33 HD2 PRO 43 1HD PRO 43 0.114 -4.085 -8.746
34 HD3 PRO 43 2HD PRO 43 1.405 -4.638 -9.831
35 H ALA 44 H ALA 44 -0.196 -1.249 -8.572
36 HA ALA 44 HA ALA 44 -2.215 0.478 -9.365
37 HB1 ALA 44 1HB ALA 44 -2.630 0.865 -7.110
38 HB2 ALA 44 2HB ALA 44 -1.846 -0.716 -7.113
39 HB3 ALA 44 3HB ALA 44 -0.927 0.723 -6.672
40 H PHE 45 H PHE 45 1.110 1.178 -8.441
41 HA PHE 45 HA PHE 45 0.898 3.966 -8.227
42 HB2 PHE 45 1HB PHE 45 3.164 2.087 -8.801
43 HB3 PHE 45 2HB PHE 45 3.417 3.825 -8.918
44 HD1 PHE 45 HD1 PHE 45 1.592 1.608 -6.531
45 HD2 PHE 45 HD2 PHE 45 4.522 4.643 -7.090
46 HE1 PHE 45 HE1 PHE 45 1.939 1.715 -4.098
47 HE2 PHE 45 HE2 PHE 45 4.875 4.755 -4.658
48 HZ PHE 45 HZ PHE 45 3.584 3.289 -3.158
49 H SER 46 H SER 46 0.744 1.923 -10.951
50 HA SER 46 HA SER 46 1.468 4.050 -12.818
51 HB2 SER 46 1HB SER 46 1.349 1.130 -12.922
52 HB3 SER 46 2HB SER 46 0.629 1.896 -14.338
53 HG SER 46 HG SER 46 3.263 1.827 -13.502
54 H GLN 47 H GLN 47 -1.028 3.923 -11.091
55 HA GLN 47 HA GLN 47 -2.833 4.877 -13.118
56 HB2 GLN 47 1HB GLN 47 -3.165 2.379 -13.105
57 HB3 GLN 47 2HB GLN 47 -3.725 2.528 -11.445
58 HG2 GLN 47 1HG GLN 47 -5.758 3.052 -12.127
59 HG3 GLN 47 2HG GLN 47 -5.134 4.390 -13.090
60 HE21 GLN 47 1HE2 GLN 47 -4.692 2.153 -15.975
61 HE22 GLN 47 2HE2 GLN 47 -3.680 3.153 -14.995
62 H VAL 48 H VAL 48 -1.692 6.292 -11.120
63 HA VAL 48 HA VAL 48 -3.908 6.693 -9.216
64 HB VAL 48 HB VAL 48 -1.660 7.891 -8.082
65 HG11 VAL 48 1HG1 VAL 48 -2.267 6.674 -6.276
66 HG12 VAL 48 2HG1 VAL 48 -3.684 6.322 -7.268
67 HG13 VAL 48 3HG1 VAL 48 -2.354 5.166 -7.185
68 HG21 VAL 48 1HG2 VAL 48 -0.320 6.555 -9.725
69 HG22 VAL 48 2HG2 VAL 48 0.060 6.238 -8.032
70 HG23 VAL 48 3HG2 VAL 48 -0.930 5.097 -8.942
71 H ASP 49 H ASP 49 -4.912 8.221 -10.559
72 HA ASP 49 HA ASP 49 -3.765 10.369 -11.853
73 HB2 ASP 49 1HB ASP 49 -6.432 9.638 -10.942
74 HB3 ASP 49 2HB ASP 49 -6.175 11.380 -10.906
75 HA PRO 50 HA PRO 50 -2.396 13.265 -8.859
76 HB2 PRO 50 1HB PRO 50 -3.128 15.635 -9.963
77 HB3 PRO 50 2HB PRO 50 -1.810 14.644 -10.600
78 HG2 PRO 50 1HG PRO 50 -4.641 14.868 -11.548
79 HG3 PRO 50 2HG PRO 50 -3.145 14.814 -12.497
80 HD2 PRO 50 1HD PRO 50 -4.739 12.651 -12.165
81 HD3 PRO 50 2HD PRO 50 -2.976 12.521 -12.334
82 H GLU 51 H GLU 51 -5.675 14.031 -10.032
83 HA GLU 51 HA GLU 51 -6.503 15.602 -7.892
84 HB2 GLU 51 1HB GLU 51 -7.727 14.302 -10.147
85 HB3 GLU 51 2HB GLU 51 -8.749 14.113 -8.729
86 HG2 GLU 51 1HG GLU 51 -8.547 16.598 -8.391
87 HG3 GLU 51 2HG GLU 51 -7.791 16.668 -9.982
88 H VAL 52 H VAL 52 -5.973 12.211 -8.060
89 HA VAL 52 HA VAL 52 -7.577 11.638 -5.699
90 HB VAL 52 HB VAL 52 -5.716 9.621 -6.862
91 HG11 VAL 52 1HG1 VAL 52 -8.448 9.614 -5.614
92 HG12 VAL 52 2HG1 VAL 52 -7.799 8.205 -6.455
93 HG13 VAL 52 3HG1 VAL 52 -6.970 8.845 -5.035
94 HG21 VAL 52 1HG2 VAL 52 -6.598 10.564 -8.870
95 HG22 VAL 52 2HG2 VAL 52 -7.460 9.056 -8.568
96 HG23 VAL 52 3HG2 VAL 52 -8.230 10.600 -8.204
97 H PHE 53 H PHE 53 -4.167 11.675 -6.670
98 HA PHE 53 HA PHE 53 -3.012 10.735 -4.336
99 HB2 PHE 53 1HB PHE 53 -2.043 11.647 -6.695
100 HB3 PHE 53 2HB PHE 53 -1.609 12.988 -5.640
101 HD1 PHE 53 HD1 PHE 53 -0.541 9.935 -6.933
102 HD2 PHE 53 HD2 PHE 53 -0.495 12.235 -3.352
103 HE1 PHE 53 HE1 PHE 53 1.425 8.676 -6.154
104 HE2 PHE 53 HE2 PHE 53 1.471 10.981 -2.568
105 HZ PHE 53 HZ PHE 53 2.434 9.200 -3.969
106 H ALA 54 H ALA 54 -3.751 14.107 -5.202
107 HA ALA 54 HA ALA 54 -2.915 15.187 -2.714
108 HB1 ALA 54 1HB ALA 54 -4.212 17.208 -3.480
109 HB2 ALA 54 2HB ALA 54 -2.953 16.645 -4.580
110 HB3 ALA 54 3HB ALA 54 -4.646 16.283 -4.918
111 H ALA 55 H ALA 55 -5.743 13.542 -3.708
112 HA ALA 55 HA ALA 55 -7.654 14.683 -1.984
113 HB1 ALA 55 1HB ALA 55 -7.692 12.754 -3.923
114 HB2 ALA 55 2HB ALA 55 -7.977 11.818 -2.455
115 HB3 ALA 55 3HB ALA 55 -9.041 13.164 -2.863
116 H LEU 56 H LEU 56 -5.315 12.078 -1.530
117 HA LEU 56 HA LEU 56 -6.263 11.514 1.146
118 HB2 LEU 56 1HB LEU 56 -4.124 10.420 -0.628
119 HB3 LEU 56 2HB LEU 56 -4.078 10.083 1.101
120 HG LEU 56 HG LEU 56 -6.419 9.410 -0.675
121 HD11 LEU 56 1HD1 LEU 56 -4.614 7.305 0.362
122 HD12 LEU 56 2HD1 LEU 56 -4.042 8.257 -1.008
123 HD13 LEU 56 3HD1 LEU 56 -5.558 7.363 -1.128
124 HD21 LEU 56 1HD2 LEU 56 -5.782 8.119 1.937
125 HD22 LEU 56 2HD2 LEU 56 -7.338 8.333 1.134
126 HD23 LEU 56 3HD2 LEU 56 -6.557 9.704 1.924
127 HA PRO 57 HA PRO 57 -3.594 14.140 3.431
128 HB2 PRO 57 1HB PRO 57 -2.867 12.562 5.518
129 HB3 PRO 57 2HB PRO 57 -4.492 13.234 5.342
130 HG2 PRO 57 1HG PRO 57 -3.492 10.494 4.669
131 HG3 PRO 57 2HG PRO 57 -5.001 10.968 5.470
132 HD2 PRO 57 1HD PRO 57 -4.891 10.296 2.849
133 HD3 PRO 57 2HD PRO 57 -6.038 11.496 3.480
134 H ALA 58 H ALA 58 -1.479 14.736 3.568
135 HA ALA 58 HA ALA 58 0.461 13.595 1.995
136 HB1 ALA 58 1HB ALA 58 1.176 15.063 4.512
137 HB2 ALA 58 2HB ALA 58 1.993 15.081 2.948
138 HB3 ALA 58 3HB ALA 58 0.434 15.884 3.138
139 H GLU 59 H GLU 59 -0.291 12.908 5.365
140 HA GLU 59 HA GLU 59 1.944 11.423 6.076
141 HB2 GLU 59 1HB GLU 59 -0.942 11.150 6.912
142 HB3 GLU 59 2HB GLU 59 0.357 10.223 7.647
143 HG2 GLU 59 1HG GLU 59 0.533 13.199 7.530
144 HG3 GLU 59 2HG GLU 59 -0.460 12.416 8.758
145 H LEU 60 H LEU 60 -0.933 10.452 4.287
146 HA LEU 60 HA LEU 60 -0.044 7.696 4.118
147 HB2 LEU 60 1HB LEU 60 -2.397 9.118 2.882
148 HB3 LEU 60 2HB LEU 60 -2.083 7.388 2.750
149 HG LEU 60 HG LEU 60 -2.561 8.808 5.366
150 HD11 LEU 60 1HD1 LEU 60 -4.661 7.037 4.432
151 HD12 LEU 60 2HD1 LEU 60 -4.433 8.428 3.373
152 HD13 LEU 60 3HD1 LEU 60 -4.765 8.671 5.088
153 HD21 LEU 60 1HD2 LEU 60 -1.368 6.441 4.997
154 HD22 LEU 60 2HD2 LEU 60 -3.053 5.919 4.974
155 HD23 LEU 60 3HD2 LEU 60 -2.417 6.786 6.373
156 H GLN 61 H GLN 61 -0.344 10.516 2.015
157 HA GLN 61 HA GLN 61 0.343 9.258 -0.401
158 HB2 GLN 61 1HB GLN 61 -0.031 11.299 -1.224
159 HB3 GLN 61 2HB GLN 61 -0.307 11.847 0.424
160 HG2 GLN 61 1HG GLN 61 1.936 12.575 0.652
161 HG3 GLN 61 2HG GLN 61 2.413 11.780 -0.848
162 HE21 GLN 61 1HE2 GLN 61 -0.104 14.937 -1.415
163 HE22 GLN 61 2HE2 GLN 61 -0.503 13.662 -0.320
164 H ARG 62 H ARG 62 2.258 10.339 2.282
165 HA ARG 62 HA ARG 62 4.754 10.262 0.831
166 HB2 ARG 62 1HB ARG 62 5.794 10.876 2.886
167 HB3 ARG 62 2HB ARG 62 4.299 11.797 2.775
168 HG2 ARG 62 1HG ARG 62 3.250 10.526 4.422
169 HG3 ARG 62 2HG ARG 62 4.416 9.208 4.275
170 HD2 ARG 62 1HD ARG 62 5.483 10.099 6.014
171 HD3 ARG 62 2HD ARG 62 5.955 11.417 4.943
172 HE ARG 62 HE ARG 62 3.957 11.493 7.025
173 HH11 ARG 62 1HH1 ARG 62 5.179 12.983 4.125
174 HH12 ARG 62 2HH1 ARG 62 4.477 14.529 4.468
175 HH21 ARG 62 1HH2 ARG 62 3.028 13.524 7.487
176 HH22 ARG 62 2HH2 ARG 62 3.255 14.837 6.381
177 H GLU 63 H GLU 63 2.813 8.093 2.705
178 HA GLU 63 HA GLU 63 4.870 6.228 3.346
179 HB2 GLU 63 1HB GLU 63 2.883 6.215 4.679
180 HB3 GLU 63 2HB GLU 63 1.863 5.997 3.264
181 HG2 GLU 63 1HG GLU 63 2.162 3.780 3.229
182 HG3 GLU 63 2HG GLU 63 3.870 3.900 3.650
183 H LEU 64 H LEU 64 2.802 6.748 0.596
184 HA LEU 64 HA LEU 64 3.389 4.177 -0.591
185 HB2 LEU 64 1HB LEU 64 1.887 4.736 -2.259
186 HB3 LEU 64 2HB LEU 64 1.235 5.557 -0.843
187 HG LEU 64 HG LEU 64 2.705 7.553 -1.868
188 HD11 LEU 64 1HD1 LEU 64 2.388 5.591 -4.017
189 HD12 LEU 64 2HD1 LEU 64 3.505 6.949 -3.870
190 HD13 LEU 64 3HD1 LEU 64 1.856 7.221 -4.433
191 HD21 LEU 64 1HD2 LEU 64 0.082 7.071 -1.455
192 HD22 LEU 64 2HD2 LEU 64 0.105 7.222 -3.212
193 HD23 LEU 64 3HD2 LEU 64 0.708 8.540 -2.205
194 H LYS 65 H LYS 65 4.506 7.482 -0.834
195 HA LYS 65 HA LYS 65 6.095 6.989 -3.192
196 HB2 LYS 65 1HB LYS 65 6.080 9.347 -1.298
197 HB3 LYS 65 2HB LYS 65 6.911 9.286 -2.847
198 HG2 LYS 65 1HG LYS 65 4.944 9.391 -4.057
199 HG3 LYS 65 2HG LYS 65 3.964 8.811 -2.707
200 HD2 LYS 65 1HD LYS 65 3.440 10.953 -2.351
201 HD3 LYS 65 2HD LYS 65 5.084 11.142 -1.737
202 HE2 LYS 65 1HE LYS 65 5.867 11.878 -3.872
203 HE3 LYS 65 2HE LYS 65 4.330 11.475 -4.635
204 HZ1 LYS 65 1HZ LYS 65 3.795 13.589 -4.276
205 HZ2 LYS 65 2HZ LYS 65 5.090 13.843 -3.219
206 HZ3 LYS 65 3HZ LYS 65 3.641 13.192 -2.639
207 H ALA 66 H ALA 66 6.699 7.482 0.268
208 HA ALA 66 HA ALA 66 9.511 7.290 0.130
209 HB1 ALA 66 1HB ALA 66 8.106 8.196 2.040
210 HB2 ALA 66 2HB ALA 66 7.865 6.516 2.521
211 HB3 ALA 66 3HB ALA 66 9.491 7.197 2.481
212 H ALA 67 H ALA 67 6.987 4.877 0.725
213 HA ALA 67 HA ALA 67 8.543 2.696 1.403
214 HB1 ALA 67 1HB ALA 67 6.142 2.608 1.535
215 HB2 ALA 67 2HB ALA 67 6.001 2.765 -0.216
216 HB3 ALA 67 3HB ALA 67 6.707 1.309 0.485
217 H TYR 68 H TYR 68 7.778 3.965 -1.806
218 HA TYR 68 HA TYR 68 8.976 1.854 -3.266
219 HB2 TYR 68 1HB TYR 68 7.810 4.475 -3.849
220 HB3 TYR 68 2HB TYR 68 9.139 4.052 -4.922
221 HD1 TYR 68 HD1 TYR 68 6.429 2.003 -3.363
222 HD2 TYR 68 HD2 TYR 68 8.266 3.369 -6.949
223 HE1 TYR 68 HE1 TYR 68 4.909 0.583 -4.675
224 HE2 TYR 68 HE2 TYR 68 6.750 1.954 -8.271
225 HH TYR 68 HH TYR 68 5.107 0.469 -8.222
226 H ASP 69 H ASP 69 10.231 4.650 -1.668
227 HA ASP 69 HA ASP 69 12.771 4.567 -3.066
228 HB2 ASP 69 1HB ASP 69 11.974 6.747 -2.438
229 HB3 ASP 69 2HB ASP 69 11.764 6.244 -0.763
230 H GLN 70 H GLN 70 11.453 3.690 0.084
231 HA GLN 70 HA GLN 70 13.765 3.131 1.482
232 HB2 GLN 70 1HB GLN 70 11.098 1.718 1.540
233 HB3 GLN 70 2HB GLN 70 12.380 1.423 2.707
234 HG2 GLN 70 1HG GLN 70 10.774 3.918 2.289
235 HG3 GLN 70 2HG GLN 70 10.919 2.930 3.742
236 HE21 GLN 70 1HE2 GLN 70 13.462 5.956 3.033
237 HE22 GLN 70 2HE2 GLN 70 12.135 5.572 1.996
238 H ARG 71 H ARG 71 11.909 0.901 -0.585
239 HA ARG 71 HA ARG 71 14.216 -0.918 -0.588
240 HB2 ARG 71 1HB ARG 71 12.569 -2.566 -1.553
241 HB3 ARG 71 2HB ARG 71 12.238 -2.050 0.095
242 HG2 ARG 71 1HG ARG 71 10.897 -0.315 -1.748
243 HG3 ARG 71 2HG ARG 71 10.506 -1.999 -2.106
244 HD2 ARG 71 1HD ARG 71 10.445 -1.053 0.723
245 HD3 ARG 71 2HD ARG 71 9.109 -0.640 -0.351
246 HE ARG 71 HE ARG 71 9.483 -3.345 -0.652
247 HH11 ARG 71 1HH1 ARG 71 8.762 -1.183 1.980
248 HH12 ARG 71 2HH1 ARG 71 7.855 -2.361 2.871
249 HH21 ARG 71 1HH2 ARG 71 8.291 -4.904 0.511
250 HH22 ARG 71 2HH2 ARG 71 7.589 -4.477 2.035
251 H GLN 72 H GLN 72 13.981 1.565 -2.177
252 HA GLN 72 HA GLN 72 14.400 2.323 -4.281
253 HB2 GLN 72 1HB GLN 72 15.803 -0.173 -3.983
254 HB3 GLN 72 2HB GLN 72 15.290 0.029 -5.653
255 HG2 GLN 72 1HG GLN 72 16.842 2.074 -4.083
256 HG3 GLN 72 2HG GLN 72 17.554 0.903 -5.192
257 HE21 GLN 72 1HE2 GLN 72 16.707 4.318 -6.712
258 HE22 GLN 72 2HE2 GLN 72 17.300 3.920 -5.139
Start of MODEL 6
1 H ILE 40 H ILE 40 3.641 -1.037 -3.993
2 HA ILE 40 HA ILE 40 4.465 -2.513 -1.615
3 HB ILE 40 HB ILE 40 4.863 -0.390 -0.577
4 HG12 ILE 40 1HG1 ILE 40 4.413 1.581 -2.462
5 HG13 ILE 40 2HG1 ILE 40 2.999 0.547 -2.627
6 HG21 ILE 40 1HG2 ILE 40 6.428 0.653 -2.243
7 HG22 ILE 40 2HG2 ILE 40 6.647 -1.077 -1.985
8 HG23 ILE 40 3HG2 ILE 40 5.816 -0.500 -3.429
9 HD11 ILE 40 1HD1 ILE 40 2.570 2.331 -1.060
10 HD12 ILE 40 2HD1 ILE 40 2.575 0.777 -0.224
11 HD13 ILE 40 3HD1 ILE 40 3.967 1.852 -0.096
12 H ALA 41 H ALA 41 1.644 -1.200 -3.042
13 HA ALA 41 HA ALA 41 -0.067 -2.275 -1.081
14 HB1 ALA 41 1HB ALA 41 0.493 -0.546 0.394
15 HB2 ALA 41 2HB ALA 41 0.485 0.668 -0.886
16 HB3 ALA 41 3HB ALA 41 -1.033 -0.034 -0.327
17 H LEU 42 H LEU 42 0.294 0.259 -3.530
18 HA LEU 42 HA LEU 42 -2.069 -0.785 -4.891
19 HB2 LEU 42 1HB LEU 42 -3.073 1.365 -5.173
20 HB3 LEU 42 2HB LEU 42 -2.818 1.083 -3.453
21 HG LEU 42 HG LEU 42 -0.610 2.531 -4.664
22 HD11 LEU 42 1HD1 LEU 42 -1.775 4.607 -5.080
23 HD12 LEU 42 2HD1 LEU 42 -3.323 3.845 -4.714
24 HD13 LEU 42 3HD1 LEU 42 -2.408 3.344 -6.136
25 HD21 LEU 42 1HD2 LEU 42 -2.399 2.713 -2.293
26 HD22 LEU 42 2HD2 LEU 42 -1.487 4.143 -2.775
27 HD23 LEU 42 3HD2 LEU 42 -0.639 2.647 -2.380
28 HA PRO 43 HA PRO 43 0.366 -0.210 -8.502
29 HB2 PRO 43 1HB PRO 43 -1.582 0.119 -10.365
30 HB3 PRO 43 2HB PRO 43 -1.226 -1.441 -9.612
31 HG2 PRO 43 1HG PRO 43 -3.387 0.527 -8.964
32 HG3 PRO 43 2HG PRO 43 -3.481 -1.240 -9.083
33 HD2 PRO 43 1HD PRO 43 -3.311 0.053 -6.710
34 HD3 PRO 43 2HD PRO 43 -2.606 -1.555 -6.974
35 H ALA 44 H ALA 44 0.663 2.046 -7.180
36 HA ALA 44 HA ALA 44 -0.418 4.301 -8.649
37 HB1 ALA 44 1HB ALA 44 0.580 3.902 -6.047
38 HB2 ALA 44 2HB ALA 44 1.653 5.062 -6.831
39 HB3 ALA 44 3HB ALA 44 -0.079 5.383 -6.743
40 H PHE 45 H PHE 45 1.637 6.095 -8.668
41 HA PHE 45 HA PHE 45 3.322 6.838 -10.004
42 HB2 PHE 45 1HB PHE 45 4.529 4.086 -9.771
43 HB3 PHE 45 2HB PHE 45 5.358 5.629 -9.943
44 HD1 PHE 45 HD1 PHE 45 5.807 7.013 -8.056
45 HD2 PHE 45 HD2 PHE 45 3.524 3.447 -7.627
46 HE1 PHE 45 HE1 PHE 45 6.039 7.163 -5.611
47 HE2 PHE 45 HE2 PHE 45 3.750 3.592 -5.181
48 HZ PHE 45 HZ PHE 45 5.008 5.452 -4.170
49 H SER 46 H SER 46 1.009 5.340 -11.184
50 HA SER 46 HA SER 46 2.270 4.557 -13.730
51 HB2 SER 46 1HB SER 46 0.169 3.313 -12.134
52 HB3 SER 46 2HB SER 46 -0.325 3.575 -13.806
53 HG SER 46 HG SER 46 0.913 1.981 -14.348
54 H GLN 47 H GLN 47 -1.089 5.356 -12.935
55 HA GLN 47 HA GLN 47 -1.190 7.947 -13.910
56 HB2 GLN 47 1HB GLN 47 -0.954 5.968 -16.002
57 HB3 GLN 47 2HB GLN 47 -2.481 6.829 -16.135
58 HG2 GLN 47 1HG GLN 47 -0.131 8.522 -15.656
59 HG3 GLN 47 2HG GLN 47 -0.148 7.670 -17.199
60 HE21 GLN 47 1HE2 GLN 47 -3.209 10.284 -16.425
61 HE22 GLN 47 2HE2 GLN 47 -2.546 9.315 -15.158
62 H VAL 48 H VAL 48 -2.999 8.695 -13.043
63 HA VAL 48 HA VAL 48 -5.488 7.222 -13.316
64 HB VAL 48 HB VAL 48 -4.397 7.958 -10.596
65 HG11 VAL 48 1HG1 VAL 48 -7.061 6.799 -11.403
66 HG12 VAL 48 2HG1 VAL 48 -6.476 6.927 -9.743
67 HG13 VAL 48 3HG1 VAL 48 -6.771 8.385 -10.690
68 HG21 VAL 48 1HG2 VAL 48 -3.361 5.947 -11.290
69 HG22 VAL 48 2HG2 VAL 48 -4.675 5.473 -10.213
70 HG23 VAL 48 3HG2 VAL 48 -4.866 5.316 -11.959
71 H ASP 49 H ASP 49 -4.387 9.836 -11.165
72 HA ASP 49 HA ASP 49 -5.331 11.987 -12.661
73 HB2 ASP 49 1HB ASP 49 -7.474 10.511 -11.762
74 HB3 ASP 49 2HB ASP 49 -7.323 11.756 -10.525
75 HA PRO 50 HA PRO 50 -3.068 13.973 -9.450
76 HB2 PRO 50 1HB PRO 50 -3.765 16.544 -9.975
77 HB3 PRO 50 2HB PRO 50 -2.640 15.628 -10.985
78 HG2 PRO 50 1HG PRO 50 -5.554 16.171 -11.406
79 HG3 PRO 50 2HG PRO 50 -4.225 16.224 -12.579
80 HD2 PRO 50 1HD PRO 50 -5.919 14.120 -12.390
81 HD3 PRO 50 2HD PRO 50 -4.217 13.936 -12.863
82 H GLU 51 H GLU 51 -6.452 13.892 -9.614
83 HA GLU 51 HA GLU 51 -6.842 15.468 -7.192
84 HB2 GLU 51 1HB GLU 51 -8.455 14.787 -9.441
85 HB3 GLU 51 2HB GLU 51 -9.237 14.154 -8.000
86 HG2 GLU 51 1HG GLU 51 -8.256 16.978 -8.108
87 HG3 GLU 51 2HG GLU 51 -9.822 16.526 -8.780
88 H VAL 52 H VAL 52 -6.142 12.298 -8.028
89 HA VAL 52 HA VAL 52 -7.578 11.070 -5.821
90 HB VAL 52 HB VAL 52 -5.498 9.628 -7.416
91 HG11 VAL 52 1HG1 VAL 52 -8.000 8.947 -5.933
92 HG12 VAL 52 2HG1 VAL 52 -7.414 7.876 -7.207
93 HG13 VAL 52 3HG1 VAL 52 -6.393 8.230 -5.812
94 HG21 VAL 52 1HG2 VAL 52 -6.527 10.412 -9.283
95 HG22 VAL 52 2HG2 VAL 52 -7.648 9.104 -8.907
96 HG23 VAL 52 3HG2 VAL 52 -8.037 10.759 -8.440
97 H PHE 53 H PHE 53 -4.165 11.347 -6.826
98 HA PHE 53 HA PHE 53 -3.081 10.359 -4.430
99 HB2 PHE 53 1HB PHE 53 -2.029 10.929 -6.830
100 HB3 PHE 53 2HB PHE 53 -1.527 12.376 -5.962
101 HD1 PHE 53 HD1 PHE 53 -0.522 9.215 -6.897
102 HD2 PHE 53 HD2 PHE 53 -0.552 11.793 -3.510
103 HE1 PHE 53 HE1 PHE 53 1.374 7.974 -5.939
104 HE2 PHE 53 HE2 PHE 53 1.345 10.557 -2.548
105 HZ PHE 53 HZ PHE 53 2.311 8.645 -3.763
106 H ALA 54 H ALA 54 -3.826 13.647 -5.491
107 HA ALA 54 HA ALA 54 -2.746 14.901 -3.161
108 HB1 ALA 54 1HB ALA 54 -2.995 16.024 -5.367
109 HB2 ALA 54 2HB ALA 54 -4.740 16.041 -5.111
110 HB3 ALA 54 3HB ALA 54 -3.681 16.933 -4.020
111 H ALA 55 H ALA 55 -5.699 13.321 -3.891
112 HA ALA 55 HA ALA 55 -7.421 14.666 -2.096
113 HB1 ALA 55 1HB ALA 55 -8.827 13.407 -3.271
114 HB2 ALA 55 2HB ALA 55 -7.531 12.331 -3.795
115 HB3 ALA 55 3HB ALA 55 -8.342 12.050 -2.254
116 H LEU 56 H LEU 56 -5.219 11.940 -1.730
117 HA LEU 56 HA LEU 56 -6.063 11.370 0.962
118 HB2 LEU 56 1HB LEU 56 -3.451 10.419 -0.085
119 HB3 LEU 56 2HB LEU 56 -4.651 9.574 0.891
120 HG LEU 56 HG LEU 56 -4.781 10.088 -2.079
121 HD11 LEU 56 1HD1 LEU 56 -4.460 7.765 -2.347
122 HD12 LEU 56 2HD1 LEU 56 -4.654 7.462 -0.621
123 HD13 LEU 56 3HD1 LEU 56 -3.221 8.302 -1.213
124 HD21 LEU 56 1HD2 LEU 56 -6.818 9.237 -0.106
125 HD22 LEU 56 2HD2 LEU 56 -6.763 8.356 -1.633
126 HD23 LEU 56 3HD2 LEU 56 -7.004 10.103 -1.631
127 HA PRO 57 HA PRO 57 -3.449 14.079 3.218
128 HB2 PRO 57 1HB PRO 57 -2.758 12.540 5.345
129 HB3 PRO 57 2HB PRO 57 -4.379 13.210 5.131
130 HG2 PRO 57 1HG PRO 57 -3.373 10.456 4.526
131 HG3 PRO 57 2HG PRO 57 -4.893 10.948 5.294
132 HD2 PRO 57 1HD PRO 57 -4.743 10.227 2.688
133 HD3 PRO 57 2HD PRO 57 -5.898 11.439 3.278
134 H ALA 58 H ALA 58 -1.353 14.694 3.264
135 HA ALA 58 HA ALA 58 0.606 13.437 1.796
136 HB1 ALA 58 1HB ALA 58 1.937 14.876 3.830
137 HB2 ALA 58 2HB ALA 58 1.580 15.391 2.180
138 HB3 ALA 58 3HB ALA 58 0.434 15.731 3.478
139 H GLU 59 H GLU 59 -0.242 12.974 5.163
140 HA GLU 59 HA GLU 59 2.034 11.626 6.050
141 HB2 GLU 59 1HB GLU 59 0.296 12.382 7.579
142 HB3 GLU 59 2HB GLU 59 -0.850 11.252 6.871
143 HG2 GLU 59 1HG GLU 59 0.056 10.494 9.029
144 HG3 GLU 59 2HG GLU 59 0.392 9.378 7.706
145 H LEU 60 H LEU 60 -0.844 10.420 4.391
146 HA LEU 60 HA LEU 60 0.161 7.697 4.418
147 HB2 LEU 60 1HB LEU 60 -2.114 7.640 4.644
148 HB3 LEU 60 2HB LEU 60 -2.361 9.041 3.603
149 HG LEU 60 HG LEU 60 -1.381 6.563 2.306
150 HD11 LEU 60 1HD1 LEU 60 -4.172 6.871 3.395
151 HD12 LEU 60 2HD1 LEU 60 -3.015 5.590 3.755
152 HD13 LEU 60 3HD1 LEU 60 -3.717 5.716 2.143
153 HD21 LEU 60 1HD2 LEU 60 -3.666 7.852 1.139
154 HD22 LEU 60 2HD2 LEU 60 -2.034 7.668 0.495
155 HD23 LEU 60 3HD2 LEU 60 -2.425 9.043 1.529
156 H GLN 61 H GLN 61 -0.307 10.336 2.128
157 HA GLN 61 HA GLN 61 0.333 8.905 -0.213
158 HB2 GLN 61 1HB GLN 61 -0.141 10.854 -1.199
159 HB3 GLN 61 2HB GLN 61 -0.439 11.506 0.407
160 HG2 GLN 61 1HG GLN 61 1.753 12.386 0.555
161 HG3 GLN 61 2HG GLN 61 2.275 11.505 -0.880
162 HE21 GLN 61 1HE2 GLN 61 -0.427 14.455 -1.670
163 HE22 GLN 61 2HE2 GLN 61 -0.743 13.255 -0.469
164 H ARG 62 H ARG 62 2.289 10.321 2.285
165 HA ARG 62 HA ARG 62 4.731 10.228 0.749
166 HB2 ARG 62 1HB ARG 62 5.800 11.119 2.655
167 HB3 ARG 62 2HB ARG 62 4.214 11.878 2.619
168 HG2 ARG 62 1HG ARG 62 4.103 11.297 4.769
169 HG3 ARG 62 2HG ARG 62 3.747 9.679 4.162
170 HD2 ARG 62 1HD ARG 62 6.067 9.057 4.320
171 HD3 ARG 62 2HD ARG 62 6.519 10.704 4.754
172 HE ARG 62 HE ARG 62 4.661 9.788 6.628
173 HH11 ARG 62 1HH1 ARG 62 7.918 9.125 5.594
174 HH12 ARG 62 2HH1 ARG 62 8.436 8.563 7.149
175 HH21 ARG 62 1HH2 ARG 62 5.330 9.049 8.680
176 HH22 ARG 62 2HH2 ARG 62 6.963 8.519 8.903
177 H GLU 63 H GLU 63 2.960 8.126 2.845
178 HA GLU 63 HA GLU 63 5.135 6.424 3.564
179 HB2 GLU 63 1HB GLU 63 3.202 6.432 4.974
180 HB3 GLU 63 2HB GLU 63 2.143 6.046 3.626
181 HG2 GLU 63 1HG GLU 63 2.580 3.848 3.734
182 HG3 GLU 63 2HG GLU 63 4.278 4.096 4.139
183 H LEU 64 H LEU 64 2.937 6.612 0.871
184 HA LEU 64 HA LEU 64 3.611 3.981 -0.125
185 HB2 LEU 64 1HB LEU 64 2.022 4.329 -1.774
186 HB3 LEU 64 2HB LEU 64 1.378 5.218 -0.396
187 HG LEU 64 HG LEU 64 2.713 7.198 -1.643
188 HD11 LEU 64 1HD1 LEU 64 1.583 6.387 -4.098
189 HD12 LEU 64 2HD1 LEU 64 2.625 5.077 -3.545
190 HD13 LEU 64 3HD1 LEU 64 3.278 6.705 -3.727
191 HD21 LEU 64 1HD2 LEU 64 0.654 8.077 -1.994
192 HD22 LEU 64 2HD2 LEU 64 0.168 6.708 -0.992
193 HD23 LEU 64 3HD2 LEU 64 0.032 6.609 -2.749
194 H LYS 65 H LYS 65 4.573 7.295 -0.654
195 HA LYS 65 HA LYS 65 6.065 6.708 -3.052
196 HB2 LYS 65 1HB LYS 65 6.058 9.177 -1.305
197 HB3 LYS 65 2HB LYS 65 6.813 9.048 -2.888
198 HG2 LYS 65 1HG LYS 65 4.784 9.005 -3.998
199 HG3 LYS 65 2HG LYS 65 3.895 8.491 -2.562
200 HD2 LYS 65 1HD LYS 65 3.314 10.641 -2.348
201 HD3 LYS 65 2HD LYS 65 4.969 10.906 -1.795
202 HE2 LYS 65 1HE LYS 65 5.676 11.546 -3.978
203 HE3 LYS 65 2HE LYS 65 4.150 11.026 -4.690
204 HZ1 LYS 65 1HZ LYS 65 3.485 12.865 -2.749
205 HZ2 LYS 65 2HZ LYS 65 3.447 13.096 -4.424
206 HZ3 LYS 65 3HZ LYS 65 4.824 13.530 -3.542
207 H ALA 66 H ALA 66 6.851 7.527 0.317
208 HA ALA 66 HA ALA 66 9.649 7.368 0.037
209 HB1 ALA 66 1HB ALA 66 9.766 7.505 2.374
210 HB2 ALA 66 2HB ALA 66 8.300 8.389 1.947
211 HB3 ALA 66 3HB ALA 66 8.186 6.749 2.584
212 H ALA 67 H ALA 67 7.239 4.963 1.032
213 HA ALA 67 HA ALA 67 8.884 2.884 1.785
214 HB1 ALA 67 1HB ALA 67 6.251 2.774 0.323
215 HB2 ALA 67 2HB ALA 67 7.037 1.380 1.066
216 HB3 ALA 67 3HB ALA 67 6.508 2.732 2.067
217 H TYR 68 H TYR 68 7.876 3.810 -1.480
218 HA TYR 68 HA TYR 68 8.966 1.635 -2.862
219 HB2 TYR 68 1HB TYR 68 7.946 4.289 -3.525
220 HB3 TYR 68 2HB TYR 68 9.240 3.773 -4.600
221 HD1 TYR 68 HD1 TYR 68 8.827 2.220 -6.315
222 HD2 TYR 68 HD2 TYR 68 5.939 2.758 -3.237
223 HE1 TYR 68 HE1 TYR 68 7.232 0.839 -7.579
224 HE2 TYR 68 HE2 TYR 68 4.336 1.377 -4.492
225 HH TYR 68 HH TYR 68 4.468 0.749 -7.571
226 H ASP 69 H ASP 69 10.431 4.568 -1.637
227 HA ASP 69 HA ASP 69 12.937 4.110 -3.002
228 HB2 ASP 69 1HB ASP 69 12.219 6.402 -2.599
229 HB3 ASP 69 2HB ASP 69 12.166 6.106 -0.863
230 H GLN 70 H GLN 70 11.680 3.834 0.295
231 HA GLN 70 HA GLN 70 14.005 3.219 1.654
232 HB2 GLN 70 1HB GLN 70 11.209 2.160 2.077
233 HB3 GLN 70 2HB GLN 70 12.527 1.931 3.218
234 HG2 GLN 70 1HG GLN 70 11.160 4.480 2.434
235 HG3 GLN 70 2HG GLN 70 11.291 3.746 4.032
236 HE21 GLN 70 1HE2 GLN 70 14.047 6.341 2.731
237 HE22 GLN 70 2HE2 GLN 70 12.605 5.960 1.859
238 H ARG 71 H ARG 71 11.775 0.961 0.041
239 HA ARG 71 HA ARG 71 13.316 -1.351 0.582
240 HB2 ARG 71 1HB ARG 71 11.320 -0.902 -1.645
241 HB3 ARG 71 2HB ARG 71 11.888 -2.459 -1.057
242 HG2 ARG 71 1HG ARG 71 10.542 -2.421 0.751
243 HG3 ARG 71 2HG ARG 71 10.688 -0.675 0.958
244 HD2 ARG 71 1HD ARG 71 8.775 -0.324 -0.121
245 HD3 ARG 71 2HD ARG 71 9.316 -1.288 -1.494
246 HE ARG 71 HE ARG 71 8.061 -3.034 -0.714
247 HH11 ARG 71 1HH1 ARG 71 8.465 -0.697 1.834
248 HH12 ARG 71 2HH1 ARG 71 7.358 -1.484 2.909
249 HH21 ARG 71 1HH2 ARG 71 6.601 -4.080 0.692
250 HH22 ARG 71 2HH2 ARG 71 6.299 -3.409 2.259
251 H GLN 72 H GLN 72 13.601 1.156 -1.749
252 HA GLN 72 HA GLN 72 14.951 -0.242 -3.795
253 HB2 GLN 72 1HB GLN 72 14.088 2.377 -3.366
254 HB3 GLN 72 2HB GLN 72 15.836 2.506 -3.513
255 HG2 GLN 72 1HG GLN 72 15.077 2.780 -5.685
256 HG3 GLN 72 2HG GLN 72 15.572 1.089 -5.627
257 HE21 GLN 72 1HE2 GLN 72 11.751 2.123 -6.391
258 HE22 GLN 72 2HE2 GLN 72 12.983 3.287 -6.062
Start of MODEL 7
1 H ILE 40 H ILE 40 5.190 -2.296 1.672
2 HA ILE 40 HA ILE 40 2.943 -1.532 0.780
3 HB ILE 40 HB ILE 40 4.214 -0.290 -1.273
4 HG12 ILE 40 1HG1 ILE 40 6.389 -0.694 0.769
5 HG13 ILE 40 2HG1 ILE 40 6.250 -1.743 -0.638
6 HG21 ILE 40 1HG2 ILE 40 4.849 0.698 1.450
7 HG22 ILE 40 2HG2 ILE 40 4.154 1.546 0.070
8 HG23 ILE 40 3HG2 ILE 40 3.151 0.464 1.037
9 HD11 ILE 40 1HD1 ILE 40 7.828 0.290 -0.727
10 HD12 ILE 40 2HD1 ILE 40 6.787 -0.047 -2.111
11 HD13 ILE 40 3HD1 ILE 40 6.352 1.223 -0.967
12 H ALA 41 H ALA 41 4.994 -2.197 -2.027
13 HA ALA 41 HA ALA 41 4.448 -2.976 -4.108
14 HB1 ALA 41 1HB ALA 41 4.824 -5.061 -2.942
15 HB2 ALA 41 2HB ALA 41 3.150 -5.085 -2.388
16 HB3 ALA 41 3HB ALA 41 3.513 -5.255 -4.105
17 H LEU 42 H LEU 42 2.873 -0.924 -3.786
18 HA LEU 42 HA LEU 42 0.161 -1.850 -4.474
19 HB2 LEU 42 1HB LEU 42 -0.558 0.452 -3.766
20 HB3 LEU 42 2HB LEU 42 0.002 -0.611 -2.477
21 HG LEU 42 HG LEU 42 2.143 1.046 -3.518
22 HD11 LEU 42 1HD1 LEU 42 1.388 3.169 -3.100
23 HD12 LEU 42 2HD1 LEU 42 0.086 2.619 -2.047
24 HD13 LEU 42 3HD1 LEU 42 -0.059 2.439 -3.795
25 HD21 LEU 42 1HD2 LEU 42 0.895 0.780 -0.785
26 HD22 LEU 42 2HD2 LEU 42 2.453 1.521 -1.151
27 HD23 LEU 42 3HD2 LEU 42 2.214 -0.207 -1.415
28 HA PRO 43 HA PRO 43 2.010 0.109 -8.255
29 HB2 PRO 43 1HB PRO 43 1.116 -1.801 -9.965
30 HB3 PRO 43 2HB PRO 43 2.646 -1.934 -9.091
31 HG2 PRO 43 1HG PRO 43 -0.008 -3.166 -8.460
32 HG3 PRO 43 2HG PRO 43 1.608 -3.893 -8.390
33 HD2 PRO 43 1HD PRO 43 0.317 -2.996 -6.185
34 HD3 PRO 43 2HD PRO 43 2.084 -2.943 -6.345
35 H ALA 44 H ALA 44 0.104 1.526 -7.409
36 HA ALA 44 HA ALA 44 -2.012 1.402 -9.444
37 HB1 ALA 44 1HB ALA 44 -2.365 1.718 -6.481
38 HB2 ALA 44 2HB ALA 44 -3.573 2.301 -7.628
39 HB3 ALA 44 3HB ALA 44 -3.160 0.587 -7.576
40 H PHE 45 H PHE 45 -0.239 3.350 -7.091
41 HA PHE 45 HA PHE 45 -1.231 5.847 -8.091
42 HB2 PHE 45 1HB PHE 45 0.354 6.874 -6.565
43 HB3 PHE 45 2HB PHE 45 -0.469 5.549 -5.749
44 HD1 PHE 45 HD1 PHE 45 0.719 3.413 -5.362
45 HD2 PHE 45 HD2 PHE 45 2.696 6.853 -6.903
46 HE1 PHE 45 HE1 PHE 45 2.894 2.423 -4.774
47 HE2 PHE 45 HE2 PHE 45 4.873 5.868 -6.319
48 HZ PHE 45 HZ PHE 45 4.975 3.650 -5.254
49 H SER 46 H SER 46 0.857 3.645 -9.369
50 HA SER 46 HA SER 46 3.072 5.009 -10.268
51 HB2 SER 46 1HB SER 46 2.652 2.589 -10.636
52 HB3 SER 46 2HB SER 46 1.460 3.005 -11.868
53 HG SER 46 HG SER 46 3.029 3.670 -13.192
54 H GLN 47 H GLN 47 -0.212 5.074 -11.543
55 HA GLN 47 HA GLN 47 0.067 7.638 -12.659
56 HB2 GLN 47 1HB GLN 47 1.457 6.498 -14.319
57 HB3 GLN 47 2HB GLN 47 0.151 5.368 -14.653
58 HG2 GLN 47 1HG GLN 47 -1.206 7.492 -15.239
59 HG3 GLN 47 2HG GLN 47 0.377 8.257 -15.367
60 HE21 GLN 47 1HE2 GLN 47 -0.382 5.151 -17.929
61 HE22 GLN 47 2HE2 GLN 47 -0.882 5.067 -16.277
62 H VAL 48 H VAL 48 -1.909 8.334 -12.193
63 HA VAL 48 HA VAL 48 -4.205 6.984 -13.355
64 HB VAL 48 HB VAL 48 -4.027 7.494 -10.383
65 HG11 VAL 48 1HG1 VAL 48 -6.234 7.979 -10.855
66 HG12 VAL 48 2HG1 VAL 48 -6.309 6.831 -12.193
67 HG13 VAL 48 3HG1 VAL 48 -6.308 6.248 -10.529
68 HG21 VAL 48 1HG2 VAL 48 -2.848 5.478 -11.049
69 HG22 VAL 48 2HG2 VAL 48 -4.330 5.063 -10.188
70 HG23 VAL 48 3HG2 VAL 48 -4.263 4.924 -11.944
71 H ASP 49 H ASP 49 -3.728 9.434 -10.811
72 HA ASP 49 HA ASP 49 -4.213 11.672 -12.429
73 HB2 ASP 49 1HB ASP 49 -6.555 10.216 -11.931
74 HB3 ASP 49 2HB ASP 49 -6.622 11.586 -10.826
75 HA PRO 50 HA PRO 50 -2.705 13.563 -8.758
76 HB2 PRO 50 1HB PRO 50 -3.388 16.142 -9.261
77 HB3 PRO 50 2HB PRO 50 -2.067 15.318 -10.097
78 HG2 PRO 50 1HG PRO 50 -4.874 15.811 -11.013
79 HG3 PRO 50 2HG PRO 50 -3.358 15.968 -11.919
80 HD2 PRO 50 1HD PRO 50 -4.981 13.814 -12.158
81 HD3 PRO 50 2HD PRO 50 -3.217 13.703 -12.321
82 H GLU 51 H GLU 51 -6.010 14.345 -9.770
83 HA GLU 51 HA GLU 51 -6.920 15.536 -7.426
84 HB2 GLU 51 1HB GLU 51 -8.097 14.386 -9.814
85 HB3 GLU 51 2HB GLU 51 -9.086 14.063 -8.396
86 HG2 GLU 51 1HG GLU 51 -8.792 16.588 -7.918
87 HG3 GLU 51 2HG GLU 51 -8.338 16.681 -9.619
88 H VAL 52 H VAL 52 -6.172 12.240 -8.095
89 HA VAL 52 HA VAL 52 -7.673 11.216 -5.829
90 HB VAL 52 HB VAL 52 -5.652 9.567 -7.283
91 HG11 VAL 52 1HG1 VAL 52 -6.767 8.444 -5.536
92 HG12 VAL 52 2HG1 VAL 52 -8.337 9.093 -6.014
93 HG13 VAL 52 3HG1 VAL 52 -7.535 7.888 -7.023
94 HG21 VAL 52 1HG2 VAL 52 -8.167 10.688 -8.443
95 HG22 VAL 52 2HG2 VAL 52 -6.590 10.452 -9.198
96 HG23 VAL 52 3HG2 VAL 52 -7.639 9.067 -8.897
97 H PHE 53 H PHE 53 -4.255 11.442 -6.804
98 HA PHE 53 HA PHE 53 -3.167 10.442 -4.422
99 HB2 PHE 53 1HB PHE 53 -2.116 11.113 -6.803
100 HB3 PHE 53 2HB PHE 53 -1.640 12.531 -5.875
101 HD1 PHE 53 HD1 PHE 53 -0.933 11.578 -3.296
102 HD2 PHE 53 HD2 PHE 53 -0.324 9.712 -7.073
103 HE1 PHE 53 HE1 PHE 53 0.974 10.332 -2.369
104 HE2 PHE 53 HE2 PHE 53 1.583 8.462 -6.151
105 HZ PHE 53 HZ PHE 53 2.235 8.770 -3.796
106 H ALA 54 H ALA 54 -3.856 13.770 -5.436
107 HA ALA 54 HA ALA 54 -2.862 14.981 -3.066
108 HB1 ALA 54 1HB ALA 54 -4.825 16.053 -5.090
109 HB2 ALA 54 2HB ALA 54 -3.979 17.002 -3.866
110 HB3 ALA 54 3HB ALA 54 -3.070 16.217 -5.158
111 H ALA 55 H ALA 55 -5.789 13.365 -3.839
112 HA ALA 55 HA ALA 55 -7.521 14.628 -1.988
113 HB1 ALA 55 1HB ALA 55 -7.647 12.441 -3.832
114 HB2 ALA 55 2HB ALA 55 -8.349 11.959 -2.287
115 HB3 ALA 55 3HB ALA 55 -8.961 13.383 -3.126
116 H LEU 56 H LEU 56 -5.264 11.940 -1.737
117 HA LEU 56 HA LEU 56 -6.105 11.202 0.910
118 HB2 LEU 56 1HB LEU 56 -3.439 10.432 -0.154
119 HB3 LEU 56 2HB LEU 56 -4.601 9.482 0.770
120 HG LEU 56 HG LEU 56 -4.730 10.132 -2.173
121 HD11 LEU 56 1HD1 LEU 56 -4.328 7.828 -2.537
122 HD12 LEU 56 2HD1 LEU 56 -4.500 7.453 -0.823
123 HD13 LEU 56 3HD1 LEU 56 -3.107 8.375 -1.388
124 HD21 LEU 56 1HD2 LEU 56 -6.771 9.217 -0.268
125 HD22 LEU 56 2HD2 LEU 56 -6.634 8.251 -1.738
126 HD23 LEU 56 3HD2 LEU 56 -6.949 9.984 -1.846
127 HA PRO 57 HA PRO 57 -3.648 13.895 3.352
128 HB2 PRO 57 1HB PRO 57 -2.896 12.271 5.393
129 HB3 PRO 57 2HB PRO 57 -4.548 12.869 5.201
130 HG2 PRO 57 1HG PRO 57 -3.397 10.210 4.448
131 HG3 PRO 57 2HG PRO 57 -4.947 10.579 5.225
132 HD2 PRO 57 1HD PRO 57 -4.739 10.020 2.584
133 HD3 PRO 57 2HD PRO 57 -5.959 11.136 3.231
134 H ALA 58 H ALA 58 -1.577 14.599 3.517
135 HA ALA 58 HA ALA 58 0.455 13.566 1.975
136 HB1 ALA 58 1HB ALA 58 1.801 14.866 4.012
137 HB2 ALA 58 2HB ALA 58 1.178 15.598 2.533
138 HB3 ALA 58 3HB ALA 58 0.207 15.622 4.005
139 H GLU 59 H GLU 59 -0.272 12.910 5.367
140 HA GLU 59 HA GLU 59 2.002 11.556 6.141
141 HB2 GLU 59 1HB GLU 59 -0.445 12.036 7.265
142 HB3 GLU 59 2HB GLU 59 -0.498 10.293 7.038
143 HG2 GLU 59 1HG GLU 59 0.324 10.844 9.243
144 HG3 GLU 59 2HG GLU 59 1.583 10.061 8.291
145 H LEU 60 H LEU 60 -0.816 10.288 4.404
146 HA LEU 60 HA LEU 60 0.381 7.658 4.185
147 HB2 LEU 60 1HB LEU 60 -1.882 7.426 4.405
148 HB3 LEU 60 2HB LEU 60 -2.230 8.890 3.487
149 HG LEU 60 HG LEU 60 -1.094 6.598 1.988
150 HD11 LEU 60 1HD1 LEU 60 -3.903 6.642 3.075
151 HD12 LEU 60 2HD1 LEU 60 -2.667 5.417 3.357
152 HD13 LEU 60 3HD1 LEU 60 -3.362 5.613 1.749
153 HD21 LEU 60 1HD2 LEU 60 -3.462 7.850 0.937
154 HD22 LEU 60 2HD2 LEU 60 -1.832 7.793 0.268
155 HD23 LEU 60 3HD2 LEU 60 -2.273 9.064 1.408
156 H GLN 61 H GLN 61 -0.252 10.451 2.137
157 HA GLN 61 HA GLN 61 0.372 9.332 -0.344
158 HB2 GLN 61 1HB GLN 61 -0.407 11.393 -0.789
159 HB3 GLN 61 2HB GLN 61 0.099 12.016 0.776
160 HG2 GLN 61 1HG GLN 61 2.139 12.702 0.002
161 HG3 GLN 61 2HG GLN 61 2.168 11.513 -1.299
162 HE21 GLN 61 1HE2 GLN 61 -0.373 14.631 -1.979
163 HE22 GLN 61 2HE2 GLN 61 -0.444 13.728 -0.508
164 H ARG 62 H ARG 62 2.435 10.552 2.213
165 HA ARG 62 HA ARG 62 4.828 10.349 0.594
166 HB2 ARG 62 1HB ARG 62 5.995 11.247 2.450
167 HB3 ARG 62 2HB ARG 62 4.455 12.095 2.395
168 HG2 ARG 62 1HG ARG 62 3.594 10.654 4.169
169 HG3 ARG 62 2HG ARG 62 5.140 9.803 4.224
170 HD2 ARG 62 1HD ARG 62 6.232 11.985 4.755
171 HD3 ARG 62 2HD ARG 62 4.625 12.700 4.875
172 HE ARG 62 HE ARG 62 4.425 11.768 6.947
173 HH11 ARG 62 1HH1 ARG 62 6.927 10.087 5.206
174 HH12 ARG 62 2HH1 ARG 62 7.403 9.121 6.563
175 HH21 ARG 62 1HH2 ARG 62 5.042 10.502 8.741
176 HH22 ARG 62 2HH2 ARG 62 6.330 9.357 8.573
177 H GLU 63 H GLU 63 3.044 8.409 2.834
178 HA GLU 63 HA GLU 63 5.143 6.655 3.600
179 HB2 GLU 63 1HB GLU 63 3.180 6.756 4.968
180 HB3 GLU 63 2HB GLU 63 2.141 6.352 3.610
181 HG2 GLU 63 1HG GLU 63 2.447 4.163 3.880
182 HG3 GLU 63 2HG GLU 63 4.183 4.343 4.124
183 H LEU 64 H LEU 64 2.963 6.793 0.878
184 HA LEU 64 HA LEU 64 3.634 4.131 -0.036
185 HB2 LEU 64 1HB LEU 64 2.079 4.463 -1.749
186 HB3 LEU 64 2HB LEU 64 1.395 5.284 -0.347
187 HG LEU 64 HG LEU 64 2.625 7.364 -1.487
188 HD11 LEU 64 1HD1 LEU 64 2.588 5.292 -3.523
189 HD12 LEU 64 2HD1 LEU 64 3.431 6.840 -3.496
190 HD13 LEU 64 3HD1 LEU 64 1.752 6.760 -4.029
191 HD21 LEU 64 1HD2 LEU 64 0.533 8.122 -1.896
192 HD22 LEU 64 2HD2 LEU 64 0.084 6.673 -0.997
193 HD23 LEU 64 3HD2 LEU 64 0.052 6.663 -2.761
194 H LYS 65 H LYS 65 4.478 7.458 -0.795
195 HA LYS 65 HA LYS 65 5.992 6.803 -3.137
196 HB2 LYS 65 1HB LYS 65 6.013 9.302 -1.434
197 HB3 LYS 65 2HB LYS 65 6.761 9.143 -3.017
198 HG2 LYS 65 1HG LYS 65 4.709 9.041 -4.113
199 HG3 LYS 65 2HG LYS 65 3.834 8.640 -2.633
200 HD2 LYS 65 1HD LYS 65 3.278 10.847 -2.814
201 HD3 LYS 65 2HD LYS 65 4.767 11.000 -1.877
202 HE2 LYS 65 1HE LYS 65 6.013 11.637 -3.767
203 HE3 LYS 65 2HE LYS 65 4.761 11.087 -4.880
204 HZ1 LYS 65 1HZ LYS 65 5.066 13.623 -3.620
205 HZ2 LYS 65 2HZ LYS 65 3.536 12.971 -3.313
206 HZ3 LYS 65 3HZ LYS 65 4.062 13.179 -4.907
207 H ALA 66 H ALA 66 6.759 7.470 0.251
208 HA ALA 66 HA ALA 66 9.584 7.340 -0.086
209 HB1 ALA 66 1HB ALA 66 8.303 8.455 1.808
210 HB2 ALA 66 2HB ALA 66 8.130 6.839 2.494
211 HB3 ALA 66 3HB ALA 66 9.735 7.526 2.250
212 H ALA 67 H ALA 67 7.152 5.028 1.082
213 HA ALA 67 HA ALA 67 8.778 2.937 1.831
214 HB1 ALA 67 1HB ALA 67 6.425 2.838 2.235
215 HB2 ALA 67 2HB ALA 67 6.074 2.857 0.506
216 HB3 ALA 67 3HB ALA 67 6.862 1.455 1.231
217 H TYR 68 H TYR 68 7.591 3.721 -1.418
218 HA TYR 68 HA TYR 68 8.664 1.475 -2.727
219 HB2 TYR 68 1HB TYR 68 7.485 4.043 -3.500
220 HB3 TYR 68 2HB TYR 68 8.686 3.453 -4.643
221 HD1 TYR 68 HD1 TYR 68 7.920 2.132 -6.366
222 HD2 TYR 68 HD2 TYR 68 5.789 2.121 -2.683
223 HE1 TYR 68 HE1 TYR 68 6.250 0.614 -7.344
224 HE2 TYR 68 HE2 TYR 68 4.114 0.602 -3.650
225 HH TYR 68 HH TYR 68 4.320 -0.444 -7.037
226 H ASP 69 H ASP 69 10.076 4.493 -1.717
227 HA ASP 69 HA ASP 69 12.469 4.156 -3.299
228 HB2 ASP 69 1HB ASP 69 11.573 6.403 -2.733
229 HB3 ASP 69 2HB ASP 69 11.923 6.088 -1.036
230 H GLN 70 H GLN 70 11.493 3.725 0.065
231 HA GLN 70 HA GLN 70 13.963 3.258 1.231
232 HB2 GLN 70 1HB GLN 70 11.279 2.020 1.852
233 HB3 GLN 70 2HB GLN 70 12.696 1.855 2.880
234 HG2 GLN 70 1HG GLN 70 11.112 4.322 2.267
235 HG3 GLN 70 2HG GLN 70 11.433 3.577 3.832
236 HE21 GLN 70 1HE2 GLN 70 13.896 6.357 2.332
237 HE22 GLN 70 2HE2 GLN 70 12.414 5.888 1.578
238 H ARG 71 H ARG 71 11.752 0.887 -0.242
239 HA ARG 71 HA ARG 71 13.476 -1.329 0.126
240 HB2 ARG 71 1HB ARG 71 11.316 -1.025 -1.963
241 HB3 ARG 71 2HB ARG 71 11.976 -2.528 -1.334
242 HG2 ARG 71 1HG ARG 71 10.421 -0.515 0.277
243 HG3 ARG 71 2HG ARG 71 9.761 -1.998 -0.415
244 HD2 ARG 71 1HD ARG 71 12.049 -1.904 1.545
245 HD3 ARG 71 2HD ARG 71 10.366 -2.177 1.995
246 HE ARG 71 HE ARG 71 11.175 -4.021 0.006
247 HH11 ARG 71 1HH1 ARG 71 11.528 -3.308 3.395
248 HH12 ARG 71 2HH1 ARG 71 11.813 -4.956 3.846
249 HH21 ARG 71 1HH2 ARG 71 11.549 -6.195 0.587
250 HH22 ARG 71 2HH2 ARG 71 11.826 -6.597 2.248
251 H GLN 72 H GLN 72 13.434 1.235 -2.146
252 HA GLN 72 HA GLN 72 14.735 1.749 -3.939
253 HB2 GLN 72 1HB GLN 72 16.373 -0.005 -2.275
254 HB3 GLN 72 2HB GLN 72 16.832 -0.051 -3.971
255 HG2 GLN 72 1HG GLN 72 16.890 2.476 -3.882
256 HG3 GLN 72 2HG GLN 72 16.769 2.317 -2.131
257 HE21 GLN 72 1HE2 GLN 72 20.322 2.274 -3.711
258 HE22 GLN 72 2HE2 GLN 72 18.899 3.034 -4.328
Start of MODEL 8
1 H ILE 40 H ILE 40 2.469 0.308 -3.080
2 HA ILE 40 HA ILE 40 4.497 -1.273 -1.644
3 HB ILE 40 HB ILE 40 4.262 0.100 0.232
4 HG12 ILE 40 1HG1 ILE 40 1.746 1.203 -1.037
5 HG13 ILE 40 2HG1 ILE 40 1.828 0.131 0.357
6 HG21 ILE 40 1HG2 ILE 40 3.965 1.895 -2.173
7 HG22 ILE 40 2HG2 ILE 40 4.572 2.393 -0.594
8 HG23 ILE 40 3HG2 ILE 40 5.470 1.216 -1.553
9 HD11 ILE 40 1HD1 ILE 40 1.798 1.938 1.630
10 HD12 ILE 40 2HD1 ILE 40 3.415 2.314 1.032
11 HD13 ILE 40 3HD1 ILE 40 1.998 2.996 0.233
12 H ALA 41 H ALA 41 1.138 -0.930 -2.335
13 HA ALA 41 HA ALA 41 0.470 -3.471 -1.354
14 HB1 ALA 41 1HB ALA 41 -1.175 -2.008 0.391
15 HB2 ALA 41 2HB ALA 41 0.115 -3.135 0.810
16 HB3 ALA 41 3HB ALA 41 0.467 -1.416 0.641
17 H LEU 42 H LEU 42 -0.602 -0.228 -2.170
18 HA LEU 42 HA LEU 42 -2.943 -1.412 -3.511
19 HB2 LEU 42 1HB LEU 42 -3.894 1.000 -3.119
20 HB3 LEU 42 2HB LEU 42 -4.016 -0.243 -1.875
21 HG LEU 42 HG LEU 42 -2.123 0.735 -0.692
22 HD11 LEU 42 1HD1 LEU 42 -0.666 1.755 -2.088
23 HD12 LEU 42 2HD1 LEU 42 -1.607 3.179 -1.644
24 HD13 LEU 42 3HD1 LEU 42 -1.934 2.345 -3.163
25 HD21 LEU 42 1HD2 LEU 42 -3.215 3.058 -0.303
26 HD22 LEU 42 2HD2 LEU 42 -4.107 1.597 0.121
27 HD23 LEU 42 3HD2 LEU 42 -4.473 2.450 -1.379
28 HA PRO 43 HA PRO 43 -1.664 0.523 -7.235
29 HB2 PRO 43 1HB PRO 43 -4.028 1.283 -8.333
30 HB3 PRO 43 2HB PRO 43 -3.511 -0.405 -8.237
31 HG2 PRO 43 1HG PRO 43 -5.394 1.103 -6.464
32 HG3 PRO 43 2HG PRO 43 -5.544 -0.540 -7.116
33 HD2 PRO 43 1HD PRO 43 -4.733 -0.048 -4.580
34 HD3 PRO 43 2HD PRO 43 -4.148 -1.438 -5.516
35 H ALA 44 H ALA 44 -0.955 2.268 -5.426
36 HA ALA 44 HA ALA 44 -2.369 4.778 -5.665
37 HB1 ALA 44 1HB ALA 44 -1.465 4.925 -3.630
38 HB2 ALA 44 2HB ALA 44 -0.259 3.686 -3.980
39 HB3 ALA 44 3HB ALA 44 0.030 5.359 -4.460
40 H PHE 45 H PHE 45 0.376 3.212 -7.118
41 HA PHE 45 HA PHE 45 1.314 5.666 -8.362
42 HB2 PHE 45 1HB PHE 45 2.342 2.900 -8.954
43 HB3 PHE 45 2HB PHE 45 3.189 4.437 -9.091
44 HD1 PHE 45 HD1 PHE 45 1.995 1.858 -6.773
45 HD2 PHE 45 HD2 PHE 45 4.229 5.457 -7.192
46 HE1 PHE 45 HE1 PHE 45 2.933 1.535 -4.521
47 HE2 PHE 45 HE2 PHE 45 5.170 5.139 -4.942
48 HZ PHE 45 HZ PHE 45 4.523 3.176 -3.603
49 H SER 46 H SER 46 -0.882 3.169 -9.019
50 HA SER 46 HA SER 46 -0.838 3.785 -11.900
51 HB2 SER 46 1HB SER 46 -0.665 1.321 -10.762
52 HB3 SER 46 2HB SER 46 -2.408 1.454 -10.991
53 HG SER 46 HG SER 46 -2.067 1.795 -13.177
54 H GLN 47 H GLN 47 -2.044 5.592 -10.179
55 HA GLN 47 HA GLN 47 -4.835 5.122 -9.885
56 HB2 GLN 47 1HB GLN 47 -3.072 6.972 -8.898
57 HB3 GLN 47 2HB GLN 47 -3.983 7.927 -10.060
58 HG2 GLN 47 1HG GLN 47 -5.609 8.148 -8.586
59 HG3 GLN 47 2HG GLN 47 -5.850 6.402 -8.600
60 HE21 GLN 47 1HE2 GLN 47 -4.729 5.973 -5.374
61 HE22 GLN 47 2HE2 GLN 47 -5.589 5.381 -6.750
62 H VAL 48 H VAL 48 -5.967 7.497 -10.842
63 HA VAL 48 HA VAL 48 -5.771 7.122 -13.761
64 HB VAL 48 HB VAL 48 -7.887 6.239 -12.756
65 HG11 VAL 48 1HG1 VAL 48 -8.152 7.874 -10.971
66 HG12 VAL 48 2HG1 VAL 48 -8.400 9.153 -12.162
67 HG13 VAL 48 3HG1 VAL 48 -9.577 7.848 -12.009
68 HG21 VAL 48 1HG2 VAL 48 -8.852 6.657 -14.720
69 HG22 VAL 48 2HG2 VAL 48 -8.975 8.382 -14.371
70 HG23 VAL 48 3HG2 VAL 48 -7.493 7.727 -15.066
71 H ASP 49 H ASP 49 -6.122 9.359 -11.102
72 HA ASP 49 HA ASP 49 -5.340 11.542 -12.870
73 HB2 ASP 49 1HB ASP 49 -8.000 11.233 -11.801
74 HB3 ASP 49 2HB ASP 49 -7.251 12.688 -11.150
75 HA PRO 50 HA PRO 50 -2.844 12.830 -9.502
76 HB2 PRO 50 1HB PRO 50 -2.916 15.534 -9.731
77 HB3 PRO 50 2HB PRO 50 -2.040 14.498 -10.864
78 HG2 PRO 50 1HG PRO 50 -4.744 15.750 -11.146
79 HG3 PRO 50 2HG PRO 50 -3.442 15.619 -12.342
80 HD2 PRO 50 1HD PRO 50 -5.584 13.962 -12.333
81 HD3 PRO 50 2HD PRO 50 -3.974 13.439 -12.867
82 H GLU 51 H GLU 51 -5.979 14.454 -9.758
83 HA GLU 51 HA GLU 51 -6.127 15.674 -7.288
84 HB2 GLU 51 1HB GLU 51 -8.042 14.723 -9.289
85 HB3 GLU 51 2HB GLU 51 -8.692 14.739 -7.655
86 HG2 GLU 51 1HG GLU 51 -8.127 17.087 -7.428
87 HG3 GLU 51 2HG GLU 51 -7.411 17.085 -9.038
88 H VAL 52 H VAL 52 -6.411 12.294 -8.093
89 HA VAL 52 HA VAL 52 -7.587 11.420 -5.665
90 HB VAL 52 HB VAL 52 -5.770 9.763 -7.406
91 HG11 VAL 52 1HG1 VAL 52 -7.995 9.165 -5.481
92 HG12 VAL 52 2HG1 VAL 52 -7.462 7.993 -6.687
93 HG13 VAL 52 3HG1 VAL 52 -6.334 8.576 -5.463
94 HG21 VAL 52 1HG2 VAL 52 -7.941 9.126 -8.573
95 HG22 VAL 52 2HG2 VAL 52 -8.626 10.586 -7.857
96 HG23 VAL 52 3HG2 VAL 52 -7.259 10.705 -8.966
97 H PHE 53 H PHE 53 -4.217 11.526 -6.794
98 HA PHE 53 HA PHE 53 -3.053 10.424 -4.492
99 HB2 PHE 53 1HB PHE 53 -2.066 11.035 -6.877
100 HB3 PHE 53 2HB PHE 53 -1.581 12.507 -6.042
101 HD1 PHE 53 HD1 PHE 53 -0.411 9.473 -7.052
102 HD2 PHE 53 HD2 PHE 53 -0.600 11.879 -3.547
103 HE1 PHE 53 HE1 PHE 53 1.556 8.304 -6.148
104 HE2 PHE 53 HE2 PHE 53 1.368 10.716 -2.638
105 HZ PHE 53 HZ PHE 53 2.449 8.926 -3.939
106 H ALA 54 H ALA 54 -3.696 13.793 -5.387
107 HA ALA 54 HA ALA 54 -2.583 14.859 -2.972
108 HB1 ALA 54 1HB ALA 54 -2.516 16.309 -4.814
109 HB2 ALA 54 2HB ALA 54 -4.217 16.041 -5.197
110 HB3 ALA 54 3HB ALA 54 -3.771 16.970 -3.767
111 H ALA 55 H ALA 55 -5.553 13.419 -3.795
112 HA ALA 55 HA ALA 55 -7.304 14.800 -2.062
113 HB1 ALA 55 1HB ALA 55 -8.166 12.122 -2.258
114 HB2 ALA 55 2HB ALA 55 -8.747 13.523 -3.160
115 HB3 ALA 55 3HB ALA 55 -7.431 12.543 -3.806
116 H LEU 56 H LEU 56 -5.198 12.004 -1.603
117 HA LEU 56 HA LEU 56 -6.120 11.511 1.076
118 HB2 LEU 56 1HB LEU 56 -3.959 10.403 -0.665
119 HB3 LEU 56 2HB LEU 56 -3.959 10.057 1.063
120 HG LEU 56 HG LEU 56 -6.258 9.416 -0.778
121 HD11 LEU 56 1HD1 LEU 56 -5.179 7.027 -0.067
122 HD12 LEU 56 2HD1 LEU 56 -3.734 8.014 -0.279
123 HD13 LEU 56 3HD1 LEU 56 -4.888 7.846 -1.602
124 HD21 LEU 56 1HD2 LEU 56 -6.422 9.698 1.841
125 HD22 LEU 56 2HD2 LEU 56 -5.737 8.073 1.824
126 HD23 LEU 56 3HD2 LEU 56 -7.264 8.396 1.001
127 HA PRO 57 HA PRO 57 -3.457 14.126 3.383
128 HB2 PRO 57 1HB PRO 57 -2.772 12.550 5.484
129 HB3 PRO 57 2HB PRO 57 -4.389 13.236 5.285
130 HG2 PRO 57 1HG PRO 57 -3.406 10.483 4.637
131 HG3 PRO 57 2HG PRO 57 -4.920 10.976 5.417
132 HD2 PRO 57 1HD PRO 57 -4.784 10.292 2.800
133 HD3 PRO 57 2HD PRO 57 -5.927 11.505 3.412
134 H ALA 58 H ALA 58 -1.333 14.692 3.584
135 HA ALA 58 HA ALA 58 0.615 13.533 2.026
136 HB1 ALA 58 1HB ALA 58 1.261 15.022 4.556
137 HB2 ALA 58 2HB ALA 58 2.169 14.979 3.044
138 HB3 ALA 58 3HB ALA 58 0.623 15.823 3.120
139 H GLU 59 H GLU 59 -0.295 12.764 5.318
140 HA GLU 59 HA GLU 59 1.952 11.275 6.077
141 HB2 GLU 59 1HB GLU 59 0.149 12.008 7.619
142 HB3 GLU 59 2HB GLU 59 -0.921 10.815 6.897
143 HG2 GLU 59 1HG GLU 59 -0.226 9.619 8.683
144 HG3 GLU 59 2HG GLU 59 1.063 9.188 7.560
145 H LEU 60 H LEU 60 -0.927 10.377 4.257
146 HA LEU 60 HA LEU 60 -0.102 7.599 4.098
147 HB2 LEU 60 1HB LEU 60 -2.419 9.074 2.856
148 HB3 LEU 60 2HB LEU 60 -2.141 7.340 2.714
149 HG LEU 60 HG LEU 60 -2.593 8.749 5.340
150 HD11 LEU 60 1HD1 LEU 60 -4.792 8.711 5.028
151 HD12 LEU 60 2HD1 LEU 60 -4.749 7.055 4.426
152 HD13 LEU 60 3HD1 LEU 60 -4.467 8.401 3.323
153 HD21 LEU 60 1HD2 LEU 60 -1.469 6.350 4.945
154 HD22 LEU 60 2HD2 LEU 60 -3.169 5.880 4.921
155 HD23 LEU 60 3HD2 LEU 60 -2.504 6.714 6.326
156 H GLN 61 H GLN 61 -0.339 10.423 1.990
157 HA GLN 61 HA GLN 61 0.373 9.119 -0.409
158 HB2 GLN 61 1HB GLN 61 -0.115 11.129 -1.240
159 HB3 GLN 61 2HB GLN 61 -0.280 11.744 0.399
160 HG2 GLN 61 1HG GLN 61 1.996 12.438 0.450
161 HG3 GLN 61 2HG GLN 61 2.339 11.613 -1.069
162 HE21 GLN 61 1HE2 GLN 61 -0.159 14.821 -1.439
163 HE22 GLN 61 2HE2 GLN 61 -0.461 13.591 -0.264
164 H ARG 62 H ARG 62 2.237 10.351 2.257
165 HA ARG 62 HA ARG 62 4.747 10.270 0.836
166 HB2 ARG 62 1HB ARG 62 5.743 11.045 2.828
167 HB3 ARG 62 2HB ARG 62 4.176 11.840 2.759
168 HG2 ARG 62 1HG ARG 62 3.273 10.230 4.345
169 HG3 ARG 62 2HG ARG 62 4.828 9.397 4.395
170 HD2 ARG 62 1HD ARG 62 5.823 11.609 5.139
171 HD3 ARG 62 2HD ARG 62 4.166 12.165 5.368
172 HE ARG 62 HE ARG 62 4.077 10.947 7.295
173 HH11 ARG 62 1HH1 ARG 62 6.698 9.755 5.338
174 HH12 ARG 62 2HH1 ARG 62 7.285 8.669 6.554
175 HH21 ARG 62 1HH2 ARG 62 4.840 9.521 8.904
176 HH22 ARG 62 2HH2 ARG 62 6.226 8.536 8.581
177 H GLU 63 H GLU 63 2.847 8.137 2.801
178 HA GLU 63 HA GLU 63 4.932 6.343 3.528
179 HB2 GLU 63 1HB GLU 63 2.924 6.328 4.827
180 HB3 GLU 63 2HB GLU 63 1.933 6.036 3.405
181 HG2 GLU 63 1HG GLU 63 2.243 3.831 3.495
182 HG3 GLU 63 2HG GLU 63 3.964 3.992 3.841
183 H LEU 64 H LEU 64 2.889 6.700 0.730
184 HA LEU 64 HA LEU 64 3.580 4.107 -0.351
185 HB2 LEU 64 1HB LEU 64 2.071 4.540 -2.045
186 HB3 LEU 64 2HB LEU 64 1.379 5.403 -0.673
187 HG LEU 64 HG LEU 64 2.782 7.402 -1.772
188 HD11 LEU 64 1HD1 LEU 64 1.981 6.894 -4.335
189 HD12 LEU 64 2HD1 LEU 64 2.614 5.330 -3.823
190 HD13 LEU 64 3HD1 LEU 64 3.635 6.765 -3.736
191 HD21 LEU 64 1HD2 LEU 64 0.166 6.817 -1.396
192 HD22 LEU 64 2HD2 LEU 64 0.232 6.922 -3.155
193 HD23 LEU 64 3HD2 LEU 64 0.754 8.289 -2.169
194 H LYS 65 H LYS 65 4.577 7.439 -0.706
195 HA LYS 65 HA LYS 65 6.215 6.909 -3.026
196 HB2 LYS 65 1HB LYS 65 6.071 9.352 -1.250
197 HB3 LYS 65 2HB LYS 65 6.919 9.254 -2.787
198 HG2 LYS 65 1HG LYS 65 4.960 9.204 -4.016
199 HG3 LYS 65 2HG LYS 65 3.994 8.660 -2.642
200 HD2 LYS 65 1HD LYS 65 3.357 10.830 -2.599
201 HD3 LYS 65 2HD LYS 65 4.858 11.022 -1.690
202 HE2 LYS 65 1HE LYS 65 5.994 11.902 -3.514
203 HE3 LYS 65 2HE LYS 65 4.858 11.220 -4.676
204 HZ1 LYS 65 1HZ LYS 65 3.738 13.112 -4.650
205 HZ2 LYS 65 2HZ LYS 65 4.847 13.777 -3.559
206 HZ3 LYS 65 3HZ LYS 65 3.472 12.976 -2.985
207 H ALA 66 H ALA 66 6.619 7.142 0.437
208 HA ALA 66 HA ALA 66 9.482 7.247 0.374
209 HB1 ALA 66 1HB ALA 66 9.379 7.021 2.759
210 HB2 ALA 66 2HB ALA 66 8.108 8.132 2.247
211 HB3 ALA 66 3HB ALA 66 7.705 6.471 2.681
212 H ALA 67 H ALA 67 7.081 4.709 1.019
213 HA ALA 67 HA ALA 67 8.750 2.619 1.688
214 HB1 ALA 67 1HB ALA 67 6.824 1.373 0.187
215 HB2 ALA 67 2HB ALA 67 6.674 1.815 1.888
216 HB3 ALA 67 3HB ALA 67 6.041 2.888 0.640
217 H TYR 68 H TYR 68 7.811 3.719 -1.551
218 HA TYR 68 HA TYR 68 9.159 1.687 -2.973
219 HB2 TYR 68 1HB TYR 68 7.837 4.235 -3.606
220 HB3 TYR 68 2HB TYR 68 9.140 3.805 -4.710
221 HD1 TYR 68 HD1 TYR 68 6.823 1.493 -2.955
222 HD2 TYR 68 HD2 TYR 68 7.959 3.247 -6.662
223 HE1 TYR 68 HE1 TYR 68 5.307 -0.040 -4.139
224 HE2 TYR 68 HE2 TYR 68 6.445 1.719 -7.855
225 HH TYR 68 HH TYR 68 4.370 0.394 -7.322
226 H ASP 69 H ASP 69 10.233 4.611 -1.470
227 HA ASP 69 HA ASP 69 12.742 4.695 -2.912
228 HB2 ASP 69 1HB ASP 69 11.422 6.710 -1.960
229 HB3 ASP 69 2HB ASP 69 12.138 6.258 -0.415
230 H GLN 70 H GLN 70 11.568 3.722 0.265
231 HA GLN 70 HA GLN 70 13.948 3.341 1.608
232 HB2 GLN 70 1HB GLN 70 11.402 1.720 1.729
233 HB3 GLN 70 2HB GLN 70 12.727 1.545 2.873
234 HG2 GLN 70 1HG GLN 70 10.911 3.894 2.466
235 HG3 GLN 70 2HG GLN 70 11.163 2.935 3.923
236 HE21 GLN 70 1HE2 GLN 70 13.406 6.170 3.172
237 HE22 GLN 70 2HE2 GLN 70 12.080 5.678 2.180
238 H ARG 71 H ARG 71 12.212 0.971 -0.407
239 HA ARG 71 HA ARG 71 14.209 -1.030 -0.192
240 HB2 ARG 71 1HB ARG 71 12.169 -0.721 -2.397
241 HB3 ARG 71 2HB ARG 71 12.992 -2.198 -1.913
242 HG2 ARG 71 1HG ARG 71 10.978 -0.654 -0.293
243 HG3 ARG 71 2HG ARG 71 10.726 -2.207 -1.094
244 HD2 ARG 71 1HD ARG 71 12.612 -3.099 0.337
245 HD3 ARG 71 2HD ARG 71 12.508 -1.595 1.252
246 HE ARG 71 HE ARG 71 10.001 -2.984 0.997
247 HH11 ARG 71 1HH1 ARG 71 12.930 -2.661 2.851
248 HH12 ARG 71 2HH1 ARG 71 12.234 -3.298 4.304
249 HH21 ARG 71 1HH2 ARG 71 9.074 -3.824 2.904
250 HH22 ARG 71 2HH2 ARG 71 10.041 -3.960 4.333
251 H GLN 72 H GLN 72 13.940 1.810 -2.087
252 HA GLN 72 HA GLN 72 16.179 0.915 -3.782
253 HB2 GLN 72 1HB GLN 72 13.758 2.525 -4.376
254 HB3 GLN 72 2HB GLN 72 15.253 3.027 -5.156
255 HG2 GLN 72 1HG GLN 72 15.494 0.928 -6.235
256 HG3 GLN 72 2HG GLN 72 14.195 0.218 -5.278
257 HE21 GLN 72 1HE2 GLN 72 13.292 2.755 -8.362
258 HE22 GLN 72 2HE2 GLN 72 14.811 2.867 -7.548
Start of MODEL 9
1 H ILE 40 H ILE 40 2.091 -0.742 -1.552
2 HA ILE 40 HA ILE 40 4.064 -2.120 0.138
3 HB ILE 40 HB ILE 40 4.857 0.034 0.843
4 HG12 ILE 40 1HG1 ILE 40 3.682 1.996 -0.628
5 HG13 ILE 40 2HG1 ILE 40 2.305 0.941 -0.334
6 HG21 ILE 40 1HG2 ILE 40 4.673 0.747 -1.973
7 HG22 ILE 40 2HG2 ILE 40 6.082 0.329 -1.000
8 HG23 ILE 40 3HG2 ILE 40 5.095 -0.945 -1.715
9 HD11 ILE 40 1HD1 ILE 40 3.011 1.032 2.123
10 HD12 ILE 40 2HD1 ILE 40 3.998 2.413 1.642
11 HD13 ILE 40 3HD1 ILE 40 2.249 2.458 1.420
12 H ALA 41 H ALA 41 0.932 -0.656 0.109
13 HA ALA 41 HA ALA 41 0.146 -1.781 2.548
14 HB1 ALA 41 1HB ALA 41 1.532 -0.261 3.707
15 HB2 ALA 41 2HB ALA 41 1.008 1.096 2.709
16 HB3 ALA 41 3HB ALA 41 -0.110 0.365 3.861
17 H LEU 42 H LEU 42 -0.284 0.798 0.203
18 HA LEU 42 HA LEU 42 -3.194 0.388 0.388
19 HB2 LEU 42 1HB LEU 42 -3.275 2.838 -0.451
20 HB3 LEU 42 2HB LEU 42 -3.020 2.508 1.261
21 HG LEU 42 HG LEU 42 -0.496 2.719 -0.115
22 HD11 LEU 42 1HD1 LEU 42 -0.577 4.714 -1.171
23 HD12 LEU 42 2HD1 LEU 42 -1.834 5.351 -0.112
24 HD13 LEU 42 3HD1 LEU 42 -2.260 4.251 -1.423
25 HD21 LEU 42 1HD2 LEU 42 -0.235 4.559 1.601
26 HD22 LEU 42 2HD2 LEU 42 -0.596 2.952 2.233
27 HD23 LEU 42 3HD2 LEU 42 -1.870 4.168 2.135
28 HA PRO 43 HA PRO 43 -3.223 -0.370 -3.934
29 HB2 PRO 43 1HB PRO 43 -5.564 0.774 -4.695
30 HB3 PRO 43 2HB PRO 43 -5.487 -0.720 -3.754
31 HG2 PRO 43 1HG PRO 43 -5.979 2.082 -2.822
32 HG3 PRO 43 2HG PRO 43 -6.793 0.583 -2.338
33 HD2 PRO 43 1HD PRO 43 -4.867 1.745 -0.832
34 HD3 PRO 43 2HD PRO 43 -5.107 -0.013 -0.885
35 H ALA 44 H ALA 44 -1.408 1.514 -3.659
36 HA ALA 44 HA ALA 44 -2.195 3.811 -5.307
37 HB1 ALA 44 1HB ALA 44 0.536 3.813 -4.293
38 HB2 ALA 44 2HB ALA 44 -0.729 5.035 -4.152
39 HB3 ALA 44 3HB ALA 44 -0.679 3.684 -3.020
40 H PHE 45 H PHE 45 0.267 4.497 -6.357
41 HA PHE 45 HA PHE 45 1.484 4.185 -8.257
42 HB2 PHE 45 1HB PHE 45 1.754 1.273 -7.660
43 HB3 PHE 45 2HB PHE 45 2.977 2.429 -8.177
44 HD1 PHE 45 HD1 PHE 45 4.013 3.949 -6.550
45 HD2 PHE 45 HD2 PHE 45 1.283 0.910 -5.355
46 HE1 PHE 45 HE1 PHE 45 4.784 4.176 -4.225
47 HE2 PHE 45 HE2 PHE 45 2.049 1.133 -3.027
48 HZ PHE 45 HZ PHE 45 3.801 2.768 -2.460
49 H SER 46 H SER 46 -1.433 3.681 -8.344
50 HA SER 46 HA SER 46 -1.504 2.506 -10.983
51 HB2 SER 46 1HB SER 46 -2.674 1.141 -8.592
52 HB3 SER 46 2HB SER 46 -3.534 1.045 -10.128
53 HG SER 46 HG SER 46 -0.993 0.060 -9.442
54 H GLN 47 H GLN 47 -2.038 5.090 -9.703
55 HA GLN 47 HA GLN 47 -4.903 5.439 -9.786
56 HB2 GLN 47 1HB GLN 47 -4.438 7.776 -9.287
57 HB3 GLN 47 2HB GLN 47 -3.521 6.730 -8.211
58 HG2 GLN 47 1HG GLN 47 -1.618 7.656 -8.845
59 HG3 GLN 47 2HG GLN 47 -1.966 7.318 -10.540
60 HE21 GLN 47 1HE2 GLN 47 -2.876 10.570 -11.341
61 HE22 GLN 47 2HE2 GLN 47 -2.740 8.921 -11.839
62 H VAL 48 H VAL 48 -5.195 7.887 -11.009
63 HA VAL 48 HA VAL 48 -4.259 7.529 -13.763
64 HB VAL 48 HB VAL 48 -6.424 6.461 -13.763
65 HG11 VAL 48 1HG1 VAL 48 -7.255 7.644 -11.716
66 HG12 VAL 48 2HG1 VAL 48 -7.608 9.036 -12.742
67 HG13 VAL 48 3HG1 VAL 48 -8.434 7.502 -13.019
68 HG21 VAL 48 1HG2 VAL 48 -7.394 8.884 -15.002
69 HG22 VAL 48 2HG2 VAL 48 -5.698 8.599 -15.393
70 HG23 VAL 48 3HG2 VAL 48 -6.904 7.361 -15.744
71 H ASP 49 H ASP 49 -5.911 9.584 -11.408
72 HA ASP 49 HA ASP 49 -4.839 11.934 -12.828
73 HB2 ASP 49 1HB ASP 49 -7.553 11.331 -11.994
74 HB3 ASP 49 2HB ASP 49 -6.981 12.837 -11.281
75 HA PRO 50 HA PRO 50 -2.784 13.124 -9.140
76 HB2 PRO 50 1HB PRO 50 -2.973 15.830 -9.252
77 HB3 PRO 50 2HB PRO 50 -1.922 14.895 -10.322
78 HG2 PRO 50 1HG PRO 50 -4.639 16.032 -10.856
79 HG3 PRO 50 2HG PRO 50 -3.205 16.024 -11.899
80 HD2 PRO 50 1HD PRO 50 -5.244 14.270 -12.211
81 HD3 PRO 50 2HD PRO 50 -3.559 13.851 -12.581
82 H GLU 51 H GLU 51 -5.976 14.535 -9.681
83 HA GLU 51 HA GLU 51 -6.472 15.658 -7.206
84 HB2 GLU 51 1HB GLU 51 -8.308 14.283 -9.158
85 HB3 GLU 51 2HB GLU 51 -8.906 15.040 -7.688
86 HG2 GLU 51 1HG GLU 51 -7.335 17.001 -8.800
87 HG3 GLU 51 2HG GLU 51 -8.079 16.235 -10.203
88 H VAL 52 H VAL 52 -6.364 12.306 -8.123
89 HA VAL 52 HA VAL 52 -7.704 11.306 -5.798
90 HB VAL 52 HB VAL 52 -5.790 9.716 -7.488
91 HG11 VAL 52 1HG1 VAL 52 -8.200 9.082 -5.807
92 HG12 VAL 52 2HG1 VAL 52 -7.549 7.946 -6.990
93 HG13 VAL 52 3HG1 VAL 52 -6.551 8.479 -5.637
94 HG21 VAL 52 1HG2 VAL 52 -7.835 9.167 -8.882
95 HG22 VAL 52 2HG2 VAL 52 -8.593 10.584 -8.154
96 HG23 VAL 52 3HG2 VAL 52 -7.132 10.766 -9.124
97 H PHE 53 H PHE 53 -4.298 11.462 -6.816
98 HA PHE 53 HA PHE 53 -3.244 10.344 -4.448
99 HB2 PHE 53 1HB PHE 53 -2.169 10.840 -6.829
100 HB3 PHE 53 2HB PHE 53 -1.635 12.307 -6.013
101 HD1 PHE 53 HD1 PHE 53 -0.629 11.816 -3.571
102 HD2 PHE 53 HD2 PHE 53 -0.720 9.073 -6.824
103 HE1 PHE 53 HE1 PHE 53 1.252 10.580 -2.576
104 HE2 PHE 53 HE2 PHE 53 1.160 7.832 -5.834
105 HZ PHE 53 HZ PHE 53 2.149 8.585 -3.708
106 H ALA 54 H ALA 54 -3.846 13.676 -5.456
107 HA ALA 54 HA ALA 54 -2.692 14.834 -3.105
108 HB1 ALA 54 1HB ALA 54 -4.669 16.339 -4.735
109 HB2 ALA 54 2HB ALA 54 -3.128 16.863 -4.055
110 HB3 ALA 54 3HB ALA 54 -3.155 15.851 -5.499
111 H ALA 55 H ALA 55 -5.708 13.411 -3.856
112 HA ALA 55 HA ALA 55 -7.390 14.838 -2.091
113 HB1 ALA 55 1HB ALA 55 -8.821 13.620 -3.283
114 HB2 ALA 55 2HB ALA 55 -7.568 12.469 -3.747
115 HB3 ALA 55 3HB ALA 55 -8.424 12.271 -2.218
116 H LEU 56 H LEU 56 -5.349 11.987 -1.673
117 HA LEU 56 HA LEU 56 -6.224 11.505 1.018
118 HB2 LEU 56 1HB LEU 56 -4.102 10.385 -0.761
119 HB3 LEU 56 2HB LEU 56 -4.068 10.038 0.967
120 HG LEU 56 HG LEU 56 -6.574 9.499 -0.556
121 HD11 LEU 56 1HD1 LEU 56 -5.603 8.067 -1.943
122 HD12 LEU 56 2HD1 LEU 56 -5.120 7.111 -0.542
123 HD13 LEU 56 3HD1 LEU 56 -4.028 8.331 -1.195
124 HD21 LEU 56 1HD2 LEU 56 -6.421 7.495 1.080
125 HD22 LEU 56 2HD2 LEU 56 -6.842 9.089 1.707
126 HD23 LEU 56 3HD2 LEU 56 -5.199 8.473 1.895
127 HA PRO 57 HA PRO 57 -3.507 14.084 3.302
128 HB2 PRO 57 1HB PRO 57 -2.793 12.488 5.379
129 HB3 PRO 57 2HB PRO 57 -4.410 13.183 5.213
130 HG2 PRO 57 1HG PRO 57 -3.451 10.431 4.526
131 HG3 PRO 57 2HG PRO 57 -4.950 10.925 5.336
132 HD2 PRO 57 1HD PRO 57 -4.862 10.261 2.712
133 HD3 PRO 57 2HD PRO 57 -5.989 11.474 3.353
134 H ALA 58 H ALA 58 -1.415 14.682 3.252
135 HA ALA 58 HA ALA 58 0.496 13.386 1.749
136 HB1 ALA 58 1HB ALA 58 2.154 14.849 2.929
137 HB2 ALA 58 2HB ALA 58 0.763 15.697 2.251
138 HB3 ALA 58 3HB ALA 58 0.841 15.374 3.983
139 H GLU 59 H GLU 59 -0.244 13.016 5.156
140 HA GLU 59 HA GLU 59 2.037 11.686 6.026
141 HB2 GLU 59 1HB GLU 59 0.209 12.471 7.502
142 HB3 GLU 59 2HB GLU 59 -0.812 11.174 6.898
143 HG2 GLU 59 1HG GLU 59 -0.073 10.145 8.758
144 HG3 GLU 59 2HG GLU 59 1.271 9.718 7.700
145 H LEU 60 H LEU 60 -0.841 10.424 4.408
146 HA LEU 60 HA LEU 60 0.196 7.714 4.464
147 HB2 LEU 60 1HB LEU 60 -2.071 7.616 4.704
148 HB3 LEU 60 2HB LEU 60 -2.350 9.018 3.673
149 HG LEU 60 HG LEU 60 -1.374 6.518 2.391
150 HD11 LEU 60 1HD1 LEU 60 -3.694 5.699 2.200
151 HD12 LEU 60 2HD1 LEU 60 -4.199 6.928 3.359
152 HD13 LEU 60 3HD1 LEU 60 -3.085 5.654 3.855
153 HD21 LEU 60 1HD2 LEU 60 -2.482 9.032 1.617
154 HD22 LEU 60 2HD2 LEU 60 -3.545 7.738 1.064
155 HD23 LEU 60 3HD2 LEU 60 -1.842 7.740 0.601
156 H GLN 61 H GLN 61 -0.310 10.321 2.149
157 HA GLN 61 HA GLN 61 0.304 8.878 -0.187
158 HB2 GLN 61 1HB GLN 61 -0.156 10.827 -1.180
159 HB3 GLN 61 2HB GLN 61 -0.444 11.485 0.425
160 HG2 GLN 61 1HG GLN 61 1.766 12.338 0.564
161 HG3 GLN 61 2HG GLN 61 2.257 11.469 -0.890
162 HE21 GLN 61 1HE2 GLN 61 -0.426 14.461 -1.590
163 HE22 GLN 61 2HE2 GLN 61 -0.729 13.256 -0.390
164 H ARG 62 H ARG 62 2.300 10.314 2.273
165 HA ARG 62 HA ARG 62 4.723 10.177 0.714
166 HB2 ARG 62 1HB ARG 62 5.790 11.178 2.520
167 HB3 ARG 62 2HB ARG 62 4.155 11.810 2.649
168 HG2 ARG 62 1HG ARG 62 3.801 9.762 4.231
169 HG3 ARG 62 2HG ARG 62 5.560 9.823 4.364
170 HD2 ARG 62 1HD ARG 62 5.414 12.175 5.047
171 HD3 ARG 62 2HD ARG 62 3.657 12.093 4.934
172 HE ARG 62 HE ARG 62 3.630 11.109 6.990
173 HH11 ARG 62 1HH1 ARG 62 6.808 10.730 5.619
174 HH12 ARG 62 2HH1 ARG 62 7.480 10.014 7.047
175 HH21 ARG 62 1HH2 ARG 62 4.504 10.168 8.875
176 HH22 ARG 62 2HH2 ARG 62 6.169 9.695 8.898
177 H GLU 63 H GLU 63 2.972 8.129 2.891
178 HA GLU 63 HA GLU 63 5.134 6.416 3.601
179 HB2 GLU 63 1HB GLU 63 3.207 6.456 5.021
180 HB3 GLU 63 2HB GLU 63 2.139 6.057 3.683
181 HG2 GLU 63 1HG GLU 63 2.551 3.860 3.837
182 HG3 GLU 63 2HG GLU 63 4.261 4.098 4.193
183 H LEU 64 H LEU 64 2.918 6.580 0.920
184 HA LEU 64 HA LEU 64 3.578 3.934 -0.047
185 HB2 LEU 64 1HB LEU 64 1.971 4.258 -1.680
186 HB3 LEU 64 2HB LEU 64 1.345 5.177 -0.313
187 HG LEU 64 HG LEU 64 2.671 7.128 -1.608
188 HD11 LEU 64 1HD1 LEU 64 3.398 6.239 -3.557
189 HD12 LEU 64 2HD1 LEU 64 1.754 6.621 -4.065
190 HD13 LEU 64 3HD1 LEU 64 2.165 4.978 -3.574
191 HD21 LEU 64 1HD2 LEU 64 0.120 6.629 -0.947
192 HD22 LEU 64 2HD2 LEU 64 -0.009 6.543 -2.704
193 HD23 LEU 64 3HD2 LEU 64 0.613 8.004 -1.935
194 H LYS 65 H LYS 65 4.500 7.251 -0.670
195 HA LYS 65 HA LYS 65 5.996 6.609 -3.050
196 HB2 LYS 65 1HB LYS 65 5.962 9.132 -1.384
197 HB3 LYS 65 2HB LYS 65 6.708 8.962 -2.967
198 HG2 LYS 65 1HG LYS 65 4.674 8.862 -4.061
199 HG3 LYS 65 2HG LYS 65 3.802 8.372 -2.607
200 HD2 LYS 65 1HD LYS 65 3.214 10.506 -2.354
201 HD3 LYS 65 2HD LYS 65 4.903 10.853 -1.977
202 HE2 LYS 65 1HE LYS 65 5.355 11.289 -4.326
203 HE3 LYS 65 2HE LYS 65 3.692 10.876 -4.741
204 HZ1 LYS 65 1HZ LYS 65 4.732 13.267 -3.396
205 HZ2 LYS 65 2HZ LYS 65 3.165 12.748 -3.028
206 HZ3 LYS 65 3HZ LYS 65 3.572 13.141 -4.621
207 H ALA 66 H ALA 66 6.711 7.332 0.336
208 HA ALA 66 HA ALA 66 9.535 7.295 0.057
209 HB1 ALA 66 1HB ALA 66 8.320 8.361 1.941
210 HB2 ALA 66 2HB ALA 66 7.930 6.751 2.550
211 HB3 ALA 66 3HB ALA 66 9.611 7.276 2.457
212 H ALA 67 H ALA 67 7.167 4.845 1.042
213 HA ALA 67 HA ALA 67 8.853 2.801 1.806
214 HB1 ALA 67 1HB ALA 67 6.138 2.859 0.574
215 HB2 ALA 67 2HB ALA 67 6.964 1.313 0.774
216 HB3 ALA 67 3HB ALA 67 6.636 2.326 2.180
217 H TYR 68 H TYR 68 7.843 3.715 -1.459
218 HA TYR 68 HA TYR 68 9.075 1.538 -2.783
219 HB2 TYR 68 1HB TYR 68 7.737 4.029 -3.537
220 HB3 TYR 68 2HB TYR 68 9.031 3.577 -4.641
221 HD1 TYR 68 HD1 TYR 68 6.433 1.642 -2.767
222 HD2 TYR 68 HD2 TYR 68 8.190 2.565 -6.530
223 HE1 TYR 68 HE1 TYR 68 4.931 0.029 -3.857
224 HE2 TYR 68 HE2 TYR 68 6.692 0.956 -7.631
225 HH TYR 68 HH TYR 68 4.708 -1.239 -5.827
226 H ASP 69 H ASP 69 10.238 4.602 -1.623
227 HA ASP 69 HA ASP 69 12.713 4.461 -3.117
228 HB2 ASP 69 1HB ASP 69 11.278 6.519 -1.920
229 HB3 ASP 69 2HB ASP 69 12.693 6.334 -0.888
230 H GLN 70 H GLN 70 11.537 3.655 0.066
231 HA GLN 70 HA GLN 70 13.840 3.516 1.557
232 HB2 GLN 70 1HB GLN 70 11.245 2.110 1.583
233 HB3 GLN 70 2HB GLN 70 12.552 1.290 2.427
234 HG2 GLN 70 1HG GLN 70 11.348 2.641 3.987
235 HG3 GLN 70 2HG GLN 70 12.943 3.347 3.736
236 HE21 GLN 70 1HE2 GLN 70 11.747 6.254 2.131
237 HE22 GLN 70 2HE2 GLN 70 13.083 5.166 2.253
238 H ARG 71 H ARG 71 12.465 0.851 -0.378
239 HA ARG 71 HA ARG 71 14.729 -0.831 -0.036
240 HB2 ARG 71 1HB ARG 71 13.686 -2.170 -1.878
241 HB3 ARG 71 2HB ARG 71 12.613 -1.841 -0.524
242 HG2 ARG 71 1HG ARG 71 12.372 0.224 -2.505
243 HG3 ARG 71 2HG ARG 71 12.138 -1.366 -3.235
244 HD2 ARG 71 1HD ARG 71 10.770 -0.672 -0.668
245 HD3 ARG 71 2HD ARG 71 10.111 -0.105 -2.202
246 HE ARG 71 HE ARG 71 10.611 -2.854 -2.401
247 HH11 ARG 71 1HH1 ARG 71 8.496 -0.643 -0.741
248 HH12 ARG 71 2HH1 ARG 71 7.193 -1.779 -0.615
249 HH21 ARG 71 1HH2 ARG 71 8.903 -4.358 -2.242
250 HH22 ARG 71 2HH2 ARG 71 7.427 -3.892 -1.469
251 H GLN 72 H GLN 72 14.085 1.825 -2.077
252 HA GLN 72 HA GLN 72 16.660 1.918 -3.151
253 HB2 GLN 72 1HB GLN 72 16.000 1.474 -5.582
254 HB3 GLN 72 2HB GLN 72 16.226 0.074 -4.542
255 HG2 GLN 72 1HG GLN 72 14.103 -0.572 -4.751
256 HG3 GLN 72 2HG GLN 72 13.486 1.070 -4.576
257 HE21 GLN 72 1HE2 GLN 72 13.589 1.774 -8.064
258 HE22 GLN 72 2HE2 GLN 72 13.840 2.488 -6.511
Start of MODEL 10
1 H ILE 40 H ILE 40 3.327 -3.281 -0.074
2 HA ILE 40 HA ILE 40 2.846 -0.764 -1.480
3 HB ILE 40 HB ILE 40 5.211 -0.401 -1.419
4 HG12 ILE 40 1HG1 ILE 40 6.218 -2.582 0.078
5 HG13 ILE 40 2HG1 ILE 40 5.308 -3.267 -1.263
6 HG21 ILE 40 1HG2 ILE 40 4.754 -1.590 1.275
7 HG22 ILE 40 2HG2 ILE 40 5.458 -0.035 0.835
8 HG23 ILE 40 3HG2 ILE 40 3.715 -0.276 0.727
9 HD11 ILE 40 1HD1 ILE 40 7.659 -2.977 -1.818
10 HD12 ILE 40 2HD1 ILE 40 6.631 -1.967 -2.835
11 HD13 ILE 40 3HD1 ILE 40 7.527 -1.248 -1.497
12 H ALA 41 H ALA 41 3.209 -4.050 -2.149
13 HA ALA 41 HA ALA 41 4.528 -3.818 -4.685
14 HB1 ALA 41 1HB ALA 41 4.546 -5.867 -3.236
15 HB2 ALA 41 2HB ALA 41 2.868 -6.133 -3.713
16 HB3 ALA 41 3HB ALA 41 4.144 -6.151 -4.930
17 H LEU 42 H LEU 42 2.588 -1.964 -4.789
18 HA LEU 42 HA LEU 42 0.810 -3.043 -6.843
19 HB2 LEU 42 1HB LEU 42 -0.287 -1.127 -4.824
20 HB3 LEU 42 2HB LEU 42 -1.153 -2.183 -5.938
21 HG LEU 42 HG LEU 42 0.056 -4.030 -4.396
22 HD11 LEU 42 1HD1 LEU 42 0.663 -3.342 -2.367
23 HD12 LEU 42 2HD1 LEU 42 -0.777 -2.341 -2.185
24 HD13 LEU 42 3HD1 LEU 42 0.636 -1.707 -3.028
25 HD21 LEU 42 1HD2 LEU 42 -2.079 -4.227 -3.220
26 HD22 LEU 42 2HD2 LEU 42 -2.317 -3.929 -4.942
27 HD23 LEU 42 3HD2 LEU 42 -2.539 -2.619 -3.780
28 HA PRO 43 HA PRO 43 2.876 0.930 -8.055
29 HB2 PRO 43 1HB PRO 43 3.607 0.063 -10.521
30 HB3 PRO 43 2HB PRO 43 4.595 -0.200 -9.079
31 HG2 PRO 43 1HG PRO 43 2.714 -2.079 -10.455
32 HG3 PRO 43 2HG PRO 43 4.328 -2.397 -9.794
33 HD2 PRO 43 1HD PRO 43 2.058 -3.064 -8.478
34 HD3 PRO 43 2HD PRO 43 3.545 -2.584 -7.635
35 H ALA 44 H ALA 44 0.390 1.293 -7.925
36 HA ALA 44 HA ALA 44 -0.699 1.482 -10.657
37 HB1 ALA 44 1HB ALA 44 -1.836 0.313 -8.424
38 HB2 ALA 44 2HB ALA 44 -2.643 1.878 -8.541
39 HB3 ALA 44 3HB ALA 44 -2.671 0.766 -9.910
40 H PHE 45 H PHE 45 0.279 3.228 -7.859
41 HA PHE 45 HA PHE 45 -1.160 5.639 -8.504
42 HB2 PHE 45 1HB PHE 45 0.150 6.634 -6.658
43 HB3 PHE 45 2HB PHE 45 -0.651 5.143 -6.175
44 HD1 PHE 45 HD1 PHE 45 0.611 3.171 -5.634
45 HD2 PHE 45 HD2 PHE 45 2.564 6.727 -6.920
46 HE1 PHE 45 HE1 PHE 45 2.765 2.260 -4.869
47 HE2 PHE 45 HE2 PHE 45 4.721 5.823 -6.157
48 HZ PHE 45 HZ PHE 45 4.824 3.586 -5.131
49 H SER 46 H SER 46 1.390 4.156 -9.915
50 HA SER 46 HA SER 46 3.382 6.037 -10.252
51 HB2 SER 46 1HB SER 46 2.858 3.560 -11.302
52 HB3 SER 46 2HB SER 46 2.698 4.593 -12.722
53 HG SER 46 HG SER 46 4.937 4.028 -11.167
54 H GLN 47 H GLN 47 0.440 5.621 -12.209
55 HA GLN 47 HA GLN 47 0.394 8.454 -12.780
56 HB2 GLN 47 1HB GLN 47 1.869 7.710 -14.546
57 HB3 GLN 47 2HB GLN 47 0.759 6.418 -14.982
58 HG2 GLN 47 1HG GLN 47 -0.704 8.816 -15.114
59 HG3 GLN 47 2HG GLN 47 0.842 9.116 -15.905
60 HE21 GLN 47 1HE2 GLN 47 0.186 6.240 -18.158
61 HE22 GLN 47 2HE2 GLN 47 1.347 6.589 -16.928
62 H VAL 48 H VAL 48 -1.640 8.961 -12.338
63 HA VAL 48 HA VAL 48 -3.798 7.511 -13.637
64 HB VAL 48 HB VAL 48 -3.712 7.831 -10.634
65 HG11 VAL 48 1HG1 VAL 48 -5.854 6.245 -11.186
66 HG12 VAL 48 2HG1 VAL 48 -5.940 7.979 -10.868
67 HG13 VAL 48 3HG1 VAL 48 -5.903 7.386 -12.529
68 HG21 VAL 48 1HG2 VAL 48 -2.372 5.973 -11.184
69 HG22 VAL 48 2HG2 VAL 48 -3.942 5.302 -10.743
70 HG23 VAL 48 3HG2 VAL 48 -3.488 5.439 -12.441
71 H ASP 49 H ASP 49 -3.563 9.808 -10.922
72 HA ASP 49 HA ASP 49 -4.244 12.094 -12.414
73 HB2 ASP 49 1HB ASP 49 -6.441 10.421 -11.975
74 HB3 ASP 49 2HB ASP 49 -6.600 11.698 -10.772
75 HA PRO 50 HA PRO 50 -2.808 13.889 -8.665
76 HB2 PRO 50 1HB PRO 50 -3.678 16.435 -9.025
77 HB3 PRO 50 2HB PRO 50 -2.314 15.751 -9.917
78 HG2 PRO 50 1HG PRO 50 -5.161 16.089 -10.777
79 HG3 PRO 50 2HG PRO 50 -3.673 16.399 -11.689
80 HD2 PRO 50 1HD PRO 50 -5.143 14.150 -12.023
81 HD3 PRO 50 2HD PRO 50 -3.377 14.174 -12.210
82 H GLU 51 H GLU 51 -6.182 14.294 -9.593
83 HA GLU 51 HA GLU 51 -7.131 15.342 -7.158
84 HB2 GLU 51 1HB GLU 51 -8.373 13.964 -9.495
85 HB3 GLU 51 2HB GLU 51 -9.323 14.135 -8.026
86 HG2 GLU 51 1HG GLU 51 -9.322 16.459 -8.148
87 HG3 GLU 51 2HG GLU 51 -7.958 16.492 -9.265
88 H VAL 52 H VAL 52 -6.081 12.206 -8.027
89 HA VAL 52 HA VAL 52 -7.539 10.881 -5.886
90 HB VAL 52 HB VAL 52 -5.373 9.512 -7.414
91 HG11 VAL 52 1HG1 VAL 52 -6.407 8.137 -5.830
92 HG12 VAL 52 2HG1 VAL 52 -8.015 8.761 -6.205
93 HG13 VAL 52 3HG1 VAL 52 -7.188 7.705 -7.351
94 HG21 VAL 52 1HG2 VAL 52 -7.891 10.598 -8.565
95 HG22 VAL 52 2HG2 VAL 52 -6.304 10.397 -9.307
96 HG23 VAL 52 3HG2 VAL 52 -7.355 8.999 -9.082
97 H PHE 53 H PHE 53 -4.136 11.427 -6.791
98 HA PHE 53 HA PHE 53 -3.066 10.397 -4.383
99 HB2 PHE 53 1HB PHE 53 -2.000 11.094 -6.778
100 HB3 PHE 53 2HB PHE 53 -1.503 12.470 -5.798
101 HD1 PHE 53 HD1 PHE 53 -0.593 11.690 -3.370
102 HD2 PHE 53 HD2 PHE 53 -0.492 9.388 -6.948
103 HE1 PHE 53 HE1 PHE 53 1.275 10.371 -2.464
104 HE2 PHE 53 HE2 PHE 53 1.376 8.064 -6.047
105 HZ PHE 53 HZ PHE 53 2.262 8.554 -3.802
106 H ALA 54 H ALA 54 -3.932 13.655 -5.434
107 HA ALA 54 HA ALA 54 -2.944 14.931 -3.070
108 HB1 ALA 54 1HB ALA 54 -4.023 16.932 -3.933
109 HB2 ALA 54 2HB ALA 54 -3.118 16.117 -5.208
110 HB3 ALA 54 3HB ALA 54 -4.874 15.971 -5.142
111 H ALA 55 H ALA 55 -5.808 13.241 -3.881
112 HA ALA 55 HA ALA 55 -7.643 14.514 -2.152
113 HB1 ALA 55 1HB ALA 55 -8.423 11.850 -2.301
114 HB2 ALA 55 2HB ALA 55 -8.951 13.169 -3.346
115 HB3 ALA 55 3HB ALA 55 -7.587 12.159 -3.823
116 H LEU 56 H LEU 56 -5.372 11.850 -1.688
117 HA LEU 56 HA LEU 56 -6.250 11.354 1.013
118 HB2 LEU 56 1HB LEU 56 -4.102 10.270 -0.758
119 HB3 LEU 56 2HB LEU 56 -4.048 9.957 0.975
120 HG LEU 56 HG LEU 56 -6.532 9.303 -0.547
121 HD11 LEU 56 1HD1 LEU 56 -5.330 8.017 -1.940
122 HD12 LEU 56 2HD1 LEU 56 -5.220 6.935 -0.553
123 HD13 LEU 56 3HD1 LEU 56 -3.901 8.050 -0.908
124 HD21 LEU 56 1HD2 LEU 56 -6.373 7.373 1.158
125 HD22 LEU 56 2HD2 LEU 56 -6.804 8.982 1.737
126 HD23 LEU 56 3HD2 LEU 56 -5.160 8.379 1.949
127 HA PRO 57 HA PRO 57 -3.605 14.066 3.226
128 HB2 PRO 57 1HB PRO 57 -2.828 12.537 5.331
129 HB3 PRO 57 2HB PRO 57 -4.468 13.176 5.161
130 HG2 PRO 57 1HG PRO 57 -3.425 10.443 4.524
131 HG3 PRO 57 2HG PRO 57 -4.934 10.904 5.333
132 HD2 PRO 57 1HD PRO 57 -4.839 10.190 2.722
133 HD3 PRO 57 2HD PRO 57 -6.001 11.379 3.345
134 H ALA 58 H ALA 58 -1.534 14.730 3.148
135 HA ALA 58 HA ALA 58 0.409 13.471 1.660
136 HB1 ALA 58 1HB ALA 58 1.411 15.155 3.865
137 HB2 ALA 58 2HB ALA 58 1.713 15.254 2.130
138 HB3 ALA 58 3HB ALA 58 0.213 15.894 2.802
139 H GLU 59 H GLU 59 -0.262 13.171 5.096
140 HA GLU 59 HA GLU 59 2.051 11.914 5.963
141 HB2 GLU 59 1HB GLU 59 0.392 12.604 7.552
142 HB3 GLU 59 2HB GLU 59 -0.814 11.543 6.837
143 HG2 GLU 59 1HG GLU 59 -0.039 10.577 8.882
144 HG3 GLU 59 2HG GLU 59 0.536 9.597 7.535
145 H LEU 60 H LEU 60 -0.808 10.520 4.415
146 HA LEU 60 HA LEU 60 0.334 7.853 4.493
147 HB2 LEU 60 1HB LEU 60 -1.924 7.677 4.782
148 HB3 LEU 60 2HB LEU 60 -2.275 9.045 3.728
149 HG LEU 60 HG LEU 60 -1.227 6.558 2.479
150 HD11 LEU 60 1HD1 LEU 60 -2.867 5.642 3.978
151 HD12 LEU 60 2HD1 LEU 60 -3.532 5.661 2.345
152 HD13 LEU 60 3HD1 LEU 60 -4.038 6.877 3.517
153 HD21 LEU 60 1HD2 LEU 60 -1.779 7.721 0.673
154 HD22 LEU 60 2HD2 LEU 60 -2.447 9.011 1.675
155 HD23 LEU 60 3HD2 LEU 60 -3.470 7.664 1.172
156 H GLN 61 H GLN 61 -0.313 10.400 2.148
157 HA GLN 61 HA GLN 61 0.290 8.954 -0.182
158 HB2 GLN 61 1HB GLN 61 -0.259 10.883 -1.162
159 HB3 GLN 61 2HB GLN 61 -0.457 11.573 0.443
160 HG2 GLN 61 1HG GLN 61 1.734 12.454 0.439
161 HG3 GLN 61 2HG GLN 61 2.181 11.522 -0.989
162 HE21 GLN 61 1HE2 GLN 61 -0.544 14.464 -1.737
163 HE22 GLN 61 2HE2 GLN 61 -0.801 13.311 -0.476
164 H ARG 62 H ARG 62 2.316 10.460 2.215
165 HA ARG 62 HA ARG 62 4.706 10.326 0.603
166 HB2 ARG 62 1HB ARG 62 5.799 11.384 2.362
167 HB3 ARG 62 2HB ARG 62 4.158 12.001 2.505
168 HG2 ARG 62 1HG ARG 62 3.873 9.973 4.141
169 HG3 ARG 62 2HG ARG 62 5.630 10.098 4.253
170 HD2 ARG 62 1HD ARG 62 5.388 12.482 4.846
171 HD3 ARG 62 2HD ARG 62 3.636 12.291 4.808
172 HE ARG 62 HE ARG 62 3.737 11.302 6.867
173 HH11 ARG 62 1HH1 ARG 62 6.923 11.339 5.466
174 HH12 ARG 62 2HH1 ARG 62 7.705 10.776 6.906
175 HH21 ARG 62 1HH2 ARG 62 4.755 10.560 8.769
176 HH22 ARG 62 2HH2 ARG 62 6.471 10.332 8.784
177 H GLU 63 H GLU 63 3.019 8.290 2.826
178 HA GLU 63 HA GLU 63 5.231 6.631 3.538
179 HB2 GLU 63 1HB GLU 63 3.347 6.680 5.012
180 HB3 GLU 63 2HB GLU 63 2.245 6.238 3.715
181 HG2 GLU 63 1HG GLU 63 2.680 4.051 3.913
182 HG3 GLU 63 2HG GLU 63 4.400 4.312 4.198
183 H LEU 64 H LEU 64 2.956 6.715 0.907
184 HA LEU 64 HA LEU 64 3.611 4.049 -0.010
185 HB2 LEU 64 1HB LEU 64 1.966 4.326 -1.617
186 HB3 LEU 64 2HB LEU 64 1.361 5.259 -0.251
187 HG LEU 64 HG LEU 64 2.638 7.202 -1.613
188 HD11 LEU 64 1HD1 LEU 64 3.278 6.394 -3.603
189 HD12 LEU 64 2HD1 LEU 64 1.575 6.555 -4.028
190 HD13 LEU 64 3HD1 LEU 64 2.207 4.997 -3.496
191 HD21 LEU 64 1HD2 LEU 64 0.128 6.737 -0.850
192 HD22 LEU 64 2HD2 LEU 64 -0.080 6.540 -2.590
193 HD23 LEU 64 3HD2 LEU 64 0.559 8.052 -1.944
194 H LYS 65 H LYS 65 4.540 7.344 -0.680
195 HA LYS 65 HA LYS 65 5.934 6.704 -3.118
196 HB2 LYS 65 1HB LYS 65 6.032 9.197 -1.409
197 HB3 LYS 65 2HB LYS 65 6.710 9.037 -3.024
198 HG2 LYS 65 1HG LYS 65 4.627 8.992 -4.035
199 HG3 LYS 65 2HG LYS 65 3.804 8.525 -2.545
200 HD2 LYS 65 1HD LYS 65 3.236 10.706 -2.478
201 HD3 LYS 65 2HD LYS 65 4.856 10.904 -1.806
202 HE2 LYS 65 1HE LYS 65 5.740 11.605 -3.865
203 HE3 LYS 65 2HE LYS 65 4.345 11.009 -4.763
204 HZ1 LYS 65 1HZ LYS 65 3.102 12.752 -3.295
205 HZ2 LYS 65 2HZ LYS 65 3.907 13.234 -4.702
206 HZ3 LYS 65 3HZ LYS 65 4.631 13.468 -3.191
207 H ALA 66 H ALA 66 6.827 7.427 0.234
208 HA ALA 66 HA ALA 66 9.631 7.245 -0.191
209 HB1 ALA 66 1HB ALA 66 9.804 7.220 2.242
210 HB2 ALA 66 2HB ALA 66 8.680 8.466 1.699
211 HB3 ALA 66 3HB ALA 66 8.064 6.956 2.370
212 H ALA 67 H ALA 67 7.195 4.966 1.012
213 HA ALA 67 HA ALA 67 8.834 2.865 1.754
214 HB1 ALA 67 1HB ALA 67 6.885 1.400 1.250
215 HB2 ALA 67 2HB ALA 67 6.489 2.807 2.237
216 HB3 ALA 67 3HB ALA 67 6.086 2.793 0.520
217 H TYR 68 H TYR 68 7.916 3.940 -1.436
218 HA TYR 68 HA TYR 68 8.749 1.576 -2.808
219 HB2 TYR 68 1HB TYR 68 7.745 4.247 -3.536
220 HB3 TYR 68 2HB TYR 68 8.853 3.538 -4.705
221 HD1 TYR 68 HD1 TYR 68 7.678 2.667 -6.487
222 HD2 TYR 68 HD2 TYR 68 6.140 2.114 -2.559
223 HE1 TYR 68 HE1 TYR 68 5.845 1.307 -7.403
224 HE2 TYR 68 HE2 TYR 68 4.303 0.752 -3.464
225 HH TYR 68 HH TYR 68 3.230 0.127 -5.349
226 H ASP 69 H ASP 69 10.324 4.446 -1.666
227 HA ASP 69 HA ASP 69 12.714 3.962 -3.255
228 HB2 ASP 69 1HB ASP 69 11.566 6.255 -2.231
229 HB3 ASP 69 2HB ASP 69 12.919 5.971 -1.139
230 H GLN 70 H GLN 70 11.593 3.682 0.064
231 HA GLN 70 HA GLN 70 14.016 3.220 1.351
232 HB2 GLN 70 1HB GLN 70 11.268 2.111 1.930
233 HB3 GLN 70 2HB GLN 70 12.641 1.935 3.014
234 HG2 GLN 70 1HG GLN 70 11.172 4.429 2.246
235 HG3 GLN 70 2HG GLN 70 11.428 3.747 3.851
236 HE21 GLN 70 1HE2 GLN 70 14.056 6.331 2.253
237 HE22 GLN 70 2HE2 GLN 70 12.597 5.855 1.460
238 H ARG 71 H ARG 71 11.776 0.855 -0.086
239 HA ARG 71 HA ARG 71 13.396 -1.400 0.452
240 HB2 ARG 71 1HB ARG 71 11.295 -1.054 -1.695
241 HB3 ARG 71 2HB ARG 71 11.936 -2.584 -1.114
242 HG2 ARG 71 1HG ARG 71 10.330 -0.604 0.488
243 HG3 ARG 71 2HG ARG 71 9.759 -2.146 -0.153
244 HD2 ARG 71 1HD ARG 71 11.954 -2.933 1.236
245 HD3 ARG 71 2HD ARG 71 11.408 -1.568 2.210
246 HE ARG 71 HE ARG 71 9.185 -3.150 1.672
247 HH11 ARG 71 1HH1 ARG 71 12.209 -3.394 3.380
248 HH12 ARG 71 2HH1 ARG 71 11.608 -4.525 4.548
249 HH21 ARG 71 1HH2 ARG 71 8.382 -4.639 3.203
250 HH22 ARG 71 2HH2 ARG 71 9.431 -5.233 4.445
251 H GLN 72 H GLN 72 13.560 1.056 -1.930
252 HA GLN 72 HA GLN 72 14.872 1.392 -3.761
253 HB2 GLN 72 1HB GLN 72 16.502 -0.143 -1.847
254 HB3 GLN 72 2HB GLN 72 17.085 -0.177 -3.505
255 HG2 GLN 72 1HG GLN 72 16.350 2.440 -2.299
256 HG3 GLN 72 2HG GLN 72 17.865 1.674 -1.824
257 HE21 GLN 72 1HE2 GLN 72 17.710 3.769 -5.161
258 HE22 GLN 72 2HE2 GLN 72 16.566 3.844 -3.869
Start of MODEL 11
1 H ILE 40 H ILE 40 1.830 0.397 -1.141
2 HA ILE 40 HA ILE 40 2.521 1.572 -3.705
3 HB ILE 40 HB ILE 40 4.778 1.002 -3.236
4 HG12 ILE 40 1HG1 ILE 40 4.691 -0.314 -0.727
5 HG13 ILE 40 2HG1 ILE 40 3.590 -1.175 -1.797
6 HG21 ILE 40 1HG2 ILE 40 4.080 1.580 -0.447
7 HG22 ILE 40 2HG2 ILE 40 5.082 2.486 -1.579
8 HG23 ILE 40 3HG2 ILE 40 3.326 2.644 -1.634
9 HD11 ILE 40 1HD1 ILE 40 6.526 -0.931 -1.888
10 HD12 ILE 40 2HD1 ILE 40 5.479 -2.283 -2.321
11 HD13 ILE 40 3HD1 ILE 40 5.682 -0.933 -3.437
12 H ALA 41 H ALA 41 4.356 -0.188 -4.711
13 HA ALA 41 HA ALA 41 4.588 -2.018 -6.046
14 HB1 ALA 41 1HB ALA 41 4.306 -3.946 -4.967
15 HB2 ALA 41 2HB ALA 41 3.624 -2.995 -3.647
16 HB3 ALA 41 3HB ALA 41 2.560 -3.716 -4.855
17 H LEU 42 H LEU 42 2.206 -0.019 -6.220
18 HA LEU 42 HA LEU 42 0.558 -1.599 -8.077
19 HB2 LEU 42 1HB LEU 42 -0.935 0.547 -7.815
20 HB3 LEU 42 2HB LEU 42 -0.980 -0.755 -6.628
21 HG LEU 42 HG LEU 42 0.463 0.533 -5.143
22 HD11 LEU 42 1HD1 LEU 42 0.718 2.231 -7.533
23 HD12 LEU 42 2HD1 LEU 42 1.856 1.935 -6.219
24 HD13 LEU 42 3HD1 LEU 42 0.539 3.088 -6.002
25 HD21 LEU 42 1HD2 LEU 42 -2.024 1.867 -6.171
26 HD22 LEU 42 2HD2 LEU 42 -1.130 2.490 -4.785
27 HD23 LEU 42 3HD2 LEU 42 -1.823 0.869 -4.731
28 HA PRO 43 HA PRO 43 1.901 0.714 -11.555
29 HB2 PRO 43 1HB PRO 43 -0.392 1.014 -12.977
30 HB3 PRO 43 2HB PRO 43 0.449 -0.533 -12.826
31 HG2 PRO 43 1HG PRO 43 -1.938 0.479 -11.330
32 HG3 PRO 43 2HG PRO 43 -1.647 -1.131 -12.015
33 HD2 PRO 43 1HD PRO 43 -1.322 -0.588 -9.382
34 HD3 PRO 43 2HD PRO 43 -0.332 -1.787 -10.239
35 H ALA 44 H ALA 44 1.933 2.482 -9.612
36 HA ALA 44 HA ALA 44 0.283 4.756 -10.496
37 HB1 ALA 44 1HB ALA 44 0.030 4.013 -8.124
38 HB2 ALA 44 2HB ALA 44 1.710 4.481 -7.858
39 HB3 ALA 44 3HB ALA 44 0.518 5.697 -8.315
40 H PHE 45 H PHE 45 1.729 6.814 -9.362
41 HA PHE 45 HA PHE 45 3.418 8.267 -9.811
42 HB2 PHE 45 1HB PHE 45 5.039 5.734 -10.143
43 HB3 PHE 45 2HB PHE 45 5.703 7.354 -9.964
44 HD1 PHE 45 HD1 PHE 45 3.649 4.794 -8.243
45 HD2 PHE 45 HD2 PHE 45 6.091 8.257 -7.849
46 HE1 PHE 45 HE1 PHE 45 3.633 4.523 -5.797
47 HE2 PHE 45 HE2 PHE 45 6.080 7.992 -5.403
48 HZ PHE 45 HZ PHE 45 4.850 6.122 -4.374
49 H SER 46 H SER 46 1.756 7.052 -11.995
50 HA SER 46 HA SER 46 3.538 7.731 -14.243
51 HB2 SER 46 1HB SER 46 3.138 5.506 -14.702
52 HB3 SER 46 2HB SER 46 1.552 5.521 -13.930
53 HG SER 46 HG SER 46 0.836 5.689 -15.896
54 H GLN 47 H GLN 47 0.036 7.190 -14.013
55 HA GLN 47 HA GLN 47 -0.786 9.850 -14.033
56 HB2 GLN 47 1HB GLN 47 -1.502 9.975 -16.476
57 HB3 GLN 47 2HB GLN 47 0.208 10.212 -16.140
58 HG2 GLN 47 1HG GLN 47 0.823 8.331 -17.213
59 HG3 GLN 47 2HG GLN 47 -0.619 7.446 -16.719
60 HE21 GLN 47 1HE2 GLN 47 -2.596 8.674 -19.442
61 HE22 GLN 47 2HE2 GLN 47 -2.684 8.349 -17.747
62 H VAL 48 H VAL 48 -1.947 8.157 -12.601
63 HA VAL 48 HA VAL 48 -4.190 6.929 -14.044
64 HB VAL 48 HB VAL 48 -2.918 5.459 -12.526
65 HG11 VAL 48 1HG1 VAL 48 -4.033 6.783 -10.124
66 HG12 VAL 48 2HG1 VAL 48 -2.530 5.883 -10.330
67 HG13 VAL 48 3HG1 VAL 48 -2.644 7.551 -10.892
68 HG21 VAL 48 1HG2 VAL 48 -5.551 5.788 -11.184
69 HG22 VAL 48 2HG2 VAL 48 -5.533 5.454 -12.916
70 HG23 VAL 48 3HG2 VAL 48 -4.767 4.331 -11.793
71 H ASP 49 H ASP 49 -3.409 9.233 -11.507
72 HA ASP 49 HA ASP 49 -5.708 10.778 -11.896
73 HB2 ASP 49 1HB ASP 49 -6.457 8.525 -10.615
74 HB3 ASP 49 2HB ASP 49 -6.011 9.519 -9.230
75 HA PRO 50 HA PRO 50 -2.336 12.874 -9.640
76 HB2 PRO 50 1HB PRO 50 -2.689 15.248 -10.910
77 HB3 PRO 50 2HB PRO 50 -1.738 13.924 -11.594
78 HG2 PRO 50 1HG PRO 50 -4.562 14.728 -12.180
79 HG3 PRO 50 2HG PRO 50 -3.281 14.243 -13.305
80 HD2 PRO 50 1HD PRO 50 -5.242 12.552 -12.513
81 HD3 PRO 50 2HD PRO 50 -3.600 11.997 -12.897
82 H GLU 51 H GLU 51 -5.714 13.341 -9.892
83 HA GLU 51 HA GLU 51 -5.750 15.514 -7.943
84 HB2 GLU 51 1HB GLU 51 -7.330 15.911 -9.618
85 HB3 GLU 51 2HB GLU 51 -7.824 14.225 -9.685
86 HG2 GLU 51 1HG GLU 51 -9.221 14.413 -7.890
87 HG3 GLU 51 2HG GLU 51 -8.302 15.735 -7.173
88 H VAL 52 H VAL 52 -6.135 12.099 -8.135
89 HA VAL 52 HA VAL 52 -7.621 11.830 -5.681
90 HB VAL 52 HB VAL 52 -7.290 10.179 -7.806
91 HG11 VAL 52 1HG1 VAL 52 -4.945 9.720 -7.099
92 HG12 VAL 52 2HG1 VAL 52 -5.583 8.983 -5.628
93 HG13 VAL 52 3HG1 VAL 52 -5.958 8.281 -7.202
94 HG21 VAL 52 1HG2 VAL 52 -8.340 8.436 -6.388
95 HG22 VAL 52 2HG2 VAL 52 -7.997 9.429 -4.971
96 HG23 VAL 52 3HG2 VAL 52 -9.094 10.021 -6.219
97 H PHE 53 H PHE 53 -4.269 11.788 -6.667
98 HA PHE 53 HA PHE 53 -3.172 10.587 -4.368
99 HB2 PHE 53 1HB PHE 53 -2.115 11.255 -6.707
100 HB3 PHE 53 2HB PHE 53 -1.651 12.704 -5.822
101 HD1 PHE 53 HD1 PHE 53 -0.708 12.051 -3.340
102 HD2 PHE 53 HD2 PHE 53 -0.494 9.654 -6.850
103 HE1 PHE 53 HE1 PHE 53 1.230 10.860 -2.403
104 HE2 PHE 53 HE2 PHE 53 1.444 8.458 -5.919
105 HZ PHE 53 HZ PHE 53 2.308 9.060 -3.693
106 H ALA 54 H ALA 54 -3.611 14.012 -5.225
107 HA ALA 54 HA ALA 54 -2.613 15.005 -2.756
108 HB1 ALA 54 1HB ALA 54 -3.573 16.091 -5.219
109 HB2 ALA 54 2HB ALA 54 -4.355 16.918 -3.871
110 HB3 ALA 54 3HB ALA 54 -2.595 16.862 -3.969
111 H ALA 55 H ALA 55 -5.609 13.651 -3.695
112 HA ALA 55 HA ALA 55 -7.352 14.978 -1.918
113 HB1 ALA 55 1HB ALA 55 -8.127 12.239 -2.333
114 HB2 ALA 55 2HB ALA 55 -8.874 13.720 -2.934
115 HB3 ALA 55 3HB ALA 55 -7.566 12.961 -3.842
116 H LEU 56 H LEU 56 -5.306 12.123 -1.562
117 HA LEU 56 HA LEU 56 -6.278 11.500 1.066
118 HB2 LEU 56 1HB LEU 56 -4.074 10.491 -0.680
119 HB3 LEU 56 2HB LEU 56 -4.107 10.057 1.028
120 HG LEU 56 HG LEU 56 -6.546 9.574 -0.616
121 HD11 LEU 56 1HD1 LEU 56 -5.319 8.413 -2.101
122 HD12 LEU 56 2HD1 LEU 56 -5.290 7.195 -0.826
123 HD13 LEU 56 3HD1 LEU 56 -3.927 8.297 -1.023
124 HD21 LEU 56 1HD2 LEU 56 -5.248 8.434 1.825
125 HD22 LEU 56 2HD2 LEU 56 -6.419 7.482 0.913
126 HD23 LEU 56 3HD2 LEU 56 -6.892 9.034 1.606
127 HA PRO 57 HA PRO 57 -3.679 13.981 3.583
128 HB2 PRO 57 1HB PRO 57 -3.015 12.285 5.596
129 HB3 PRO 57 2HB PRO 57 -4.635 12.966 5.409
130 HG2 PRO 57 1HG PRO 57 -3.612 10.269 4.611
131 HG3 PRO 57 2HG PRO 57 -5.145 10.698 5.391
132 HD2 PRO 57 1HD PRO 57 -4.955 10.178 2.741
133 HD3 PRO 57 2HD PRO 57 -6.122 11.340 3.405
134 H ALA 58 H ALA 58 -1.596 14.609 3.634
135 HA ALA 58 HA ALA 58 0.386 13.433 2.133
136 HB1 ALA 58 1HB ALA 58 1.853 15.017 2.990
137 HB2 ALA 58 2HB ALA 58 0.276 15.777 3.202
138 HB3 ALA 58 3HB ALA 58 1.081 15.019 4.576
139 H GLU 59 H GLU 59 -0.431 12.869 5.504
140 HA GLU 59 HA GLU 59 1.821 11.497 6.355
141 HB2 GLU 59 1HB GLU 59 -1.086 11.236 7.087
142 HB3 GLU 59 2HB GLU 59 0.146 10.242 7.853
143 HG2 GLU 59 1HG GLU 59 0.172 13.250 7.830
144 HG3 GLU 59 2HG GLU 59 -0.481 12.267 9.140
145 H LEU 60 H LEU 60 -0.993 10.299 4.580
146 HA LEU 60 HA LEU 60 0.099 7.610 4.483
147 HB2 LEU 60 1HB LEU 60 -2.173 7.461 4.680
148 HB3 LEU 60 2HB LEU 60 -2.459 8.910 3.719
149 HG LEU 60 HG LEU 60 -1.409 6.496 2.334
150 HD11 LEU 60 1HD1 LEU 60 -3.137 5.523 3.694
151 HD12 LEU 60 2HD1 LEU 60 -3.722 5.668 2.037
152 HD13 LEU 60 3HD1 LEU 60 -4.258 6.816 3.264
153 HD21 LEU 60 1HD2 LEU 60 -2.531 9.031 1.658
154 HD22 LEU 60 2HD2 LEU 60 -3.565 7.754 1.017
155 HD23 LEU 60 3HD2 LEU 60 -1.853 7.798 0.595
156 H GLN 61 H GLN 61 -0.423 10.352 2.334
157 HA GLN 61 HA GLN 61 0.251 9.085 -0.082
158 HB2 GLN 61 1HB GLN 61 -0.284 11.087 -0.906
159 HB3 GLN 61 2HB GLN 61 -0.468 11.672 0.742
160 HG2 GLN 61 1HG GLN 61 1.775 12.461 0.796
161 HG3 GLN 61 2HG GLN 61 2.151 11.668 -0.733
162 HE21 GLN 61 1HE2 GLN 61 -0.487 14.762 -1.078
163 HE22 GLN 61 2HE2 GLN 61 -0.741 13.501 0.074
164 H ARG 62 H ARG 62 2.192 10.316 2.519
165 HA ARG 62 HA ARG 62 4.643 10.364 1.006
166 HB2 ARG 62 1HB ARG 62 5.662 11.169 2.929
167 HB3 ARG 62 2HB ARG 62 4.014 11.754 3.110
168 HG2 ARG 62 1HG ARG 62 3.688 9.519 4.432
169 HG3 ARG 62 2HG ARG 62 5.442 9.613 4.604
170 HD2 ARG 62 1HD ARG 62 5.257 11.805 5.614
171 HD3 ARG 62 2HD ARG 62 3.514 11.808 5.351
172 HE ARG 62 HE ARG 62 3.275 10.549 7.239
173 HH11 ARG 62 1HH1 ARG 62 6.575 10.326 6.153
174 HH12 ARG 62 2HH1 ARG 62 7.110 9.439 7.542
175 HH21 ARG 62 1HH2 ARG 62 3.967 9.382 9.073
176 HH22 ARG 62 2HH2 ARG 62 5.625 8.902 9.202
177 H GLU 63 H GLU 63 2.923 8.098 3.018
178 HA GLU 63 HA GLU 63 5.091 6.326 3.499
179 HB2 GLU 63 1HB GLU 63 3.190 6.204 4.943
180 HB3 GLU 63 2HB GLU 63 2.099 5.951 3.588
181 HG2 GLU 63 1HG GLU 63 2.674 3.750 3.349
182 HG3 GLU 63 2HG GLU 63 4.271 3.976 4.061
183 H LEU 64 H LEU 64 2.850 6.757 0.872
184 HA LEU 64 HA LEU 64 3.495 4.223 -0.365
185 HB2 LEU 64 1HB LEU 64 1.842 4.679 -1.889
186 HB3 LEU 64 2HB LEU 64 1.273 5.567 -0.477
187 HG LEU 64 HG LEU 64 2.619 7.532 -1.695
188 HD11 LEU 64 1HD1 LEU 64 2.713 5.508 -3.605
189 HD12 LEU 64 2HD1 LEU 64 3.068 7.218 -3.845
190 HD13 LEU 64 3HD1 LEU 64 1.446 6.602 -4.158
191 HD21 LEU 64 1HD2 LEU 64 0.023 6.979 -1.137
192 HD22 LEU 64 2HD2 LEU 64 -0.025 7.091 -2.896
193 HD23 LEU 64 3HD2 LEU 64 0.581 8.446 -1.943
194 H LYS 65 H LYS 65 4.499 7.551 -0.575
195 HA LYS 65 HA LYS 65 5.922 7.203 -3.061
196 HB2 LYS 65 1HB LYS 65 5.965 9.463 -1.052
197 HB3 LYS 65 2HB LYS 65 6.745 9.499 -2.628
198 HG2 LYS 65 1HG LYS 65 4.731 9.607 -3.767
199 HG3 LYS 65 2HG LYS 65 3.812 8.966 -2.403
200 HD2 LYS 65 1HD LYS 65 3.252 11.203 -2.329
201 HD3 LYS 65 2HD LYS 65 4.613 11.143 -1.206
202 HE2 LYS 65 1HE LYS 65 6.044 12.192 -2.678
203 HE3 LYS 65 2HE LYS 65 5.120 11.695 -4.095
204 HZ1 LYS 65 1HZ LYS 65 4.331 13.765 -4.050
205 HZ2 LYS 65 2HZ LYS 65 4.849 14.046 -2.464
206 HZ3 LYS 65 3HZ LYS 65 3.376 13.263 -2.747
207 H ALA 66 H ALA 66 6.792 7.606 0.361
208 HA ALA 66 HA ALA 66 9.585 7.423 -0.019
209 HB1 ALA 66 1HB ALA 66 8.386 8.327 2.008
210 HB2 ALA 66 2HB ALA 66 8.114 6.651 2.489
211 HB3 ALA 66 3HB ALA 66 9.759 7.269 2.335
212 H ALA 67 H ALA 67 7.136 5.003 0.842
213 HA ALA 67 HA ALA 67 8.753 2.821 1.328
214 HB1 ALA 67 1HB ALA 67 6.486 2.522 1.770
215 HB2 ALA 67 2HB ALA 67 6.003 3.054 0.159
216 HB3 ALA 67 3HB ALA 67 6.777 1.483 0.374
217 H TYR 68 H TYR 68 7.818 4.235 -1.745
218 HA TYR 68 HA TYR 68 8.653 2.128 -3.418
219 HB2 TYR 68 1HB TYR 68 7.793 4.890 -3.728
220 HB3 TYR 68 2HB TYR 68 9.059 4.465 -4.875
221 HD1 TYR 68 HD1 TYR 68 8.504 3.354 -6.841
222 HD2 TYR 68 HD2 TYR 68 5.781 3.257 -3.573
223 HE1 TYR 68 HE1 TYR 68 6.841 2.235 -8.267
224 HE2 TYR 68 HE2 TYR 68 4.111 2.137 -4.989
225 HH TYR 68 HH TYR 68 4.646 0.555 -7.562
226 H ASP 69 H ASP 69 10.369 4.786 -1.915
227 HA ASP 69 HA ASP 69 12.811 4.233 -3.382
228 HB2 ASP 69 1HB ASP 69 11.781 6.500 -2.179
229 HB3 ASP 69 2HB ASP 69 13.050 5.999 -1.065
230 H GLN 70 H GLN 70 11.542 3.846 -0.108
231 HA GLN 70 HA GLN 70 13.808 3.030 1.231
232 HB2 GLN 70 1HB GLN 70 10.960 2.075 1.535
233 HB3 GLN 70 2HB GLN 70 12.245 1.686 2.671
234 HG2 GLN 70 1HG GLN 70 11.027 4.360 2.078
235 HG3 GLN 70 2HG GLN 70 11.089 3.493 3.612
236 HE21 GLN 70 1HE2 GLN 70 14.021 6.010 2.543
237 HE22 GLN 70 2HE2 GLN 70 12.590 5.766 1.608
238 H ARG 71 H ARG 71 11.500 0.962 -0.527
239 HA ARG 71 HA ARG 71 13.040 -1.407 -0.165
240 HB2 ARG 71 1HB ARG 71 10.874 -0.831 -2.195
241 HB3 ARG 71 2HB ARG 71 11.484 -2.421 -1.757
242 HG2 ARG 71 1HG ARG 71 10.402 -2.434 0.263
243 HG3 ARG 71 2HG ARG 71 10.363 -0.673 0.376
244 HD2 ARG 71 1HD ARG 71 8.530 -0.493 -1.018
245 HD3 ARG 71 2HD ARG 71 8.835 -2.049 -1.789
246 HE ARG 71 HE ARG 71 7.534 -3.031 -0.194
247 HH11 ARG 71 1HH1 ARG 71 8.581 0.074 0.981
248 HH12 ARG 71 2HH1 ARG 71 7.616 0.001 2.418
249 HH21 ARG 71 1HH2 ARG 71 6.259 -3.139 1.694
250 HH22 ARG 71 2HH2 ARG 71 6.296 -1.827 2.823
251 H GLN 72 H GLN 72 13.249 1.236 -2.313
252 HA GLN 72 HA GLN 72 15.632 0.366 -3.494
253 HB2 GLN 72 1HB GLN 72 14.754 0.115 -5.863
254 HB3 GLN 72 2HB GLN 72 14.436 -1.225 -4.770
255 HG2 GLN 72 1HG GLN 72 12.162 -0.351 -4.408
256 HG3 GLN 72 2HG GLN 72 12.492 0.925 -5.579
257 HE21 GLN 72 1HE2 GLN 72 11.269 -2.680 -6.783
258 HE22 GLN 72 2HE2 GLN 72 11.334 -2.185 -5.129
Start of MODEL 12
1 H ILE 40 H ILE 40 5.501 -2.756 -4.840
2 HA ILE 40 HA ILE 40 4.935 -0.338 -6.187
3 HB ILE 40 HB ILE 40 6.596 0.683 -4.834
4 HG12 ILE 40 1HG1 ILE 40 7.845 -1.439 -3.444
5 HG13 ILE 40 2HG1 ILE 40 7.940 -1.840 -5.155
6 HG21 ILE 40 1HG2 ILE 40 5.502 -1.602 -3.204
7 HG22 ILE 40 2HG2 ILE 40 5.966 -0.002 -2.627
8 HG23 ILE 40 3HG2 ILE 40 4.566 -0.187 -3.684
9 HD11 ILE 40 1HD1 ILE 40 8.679 0.758 -5.201
10 HD12 ILE 40 2HD1 ILE 40 9.298 0.256 -3.627
11 HD13 ILE 40 3HD1 ILE 40 9.798 -0.600 -5.086
12 H ALA 41 H ALA 41 7.326 0.918 -6.620
13 HA ALA 41 HA ALA 41 8.953 1.270 -8.174
14 HB1 ALA 41 1HB ALA 41 9.372 -1.499 -8.977
15 HB2 ALA 41 2HB ALA 41 10.501 -0.336 -8.282
16 HB3 ALA 41 3HB ALA 41 9.432 -1.263 -7.230
17 H LEU 42 H LEU 42 5.996 0.496 -8.845
18 HA LEU 42 HA LEU 42 6.205 -0.335 -11.603
19 HB2 LEU 42 1HB LEU 42 3.714 0.776 -10.387
20 HB3 LEU 42 2HB LEU 42 3.895 -0.478 -11.612
21 HG LEU 42 HG LEU 42 5.074 -1.576 -9.357
22 HD11 LEU 42 1HD1 LEU 42 3.678 -1.226 -7.515
23 HD12 LEU 42 2HD1 LEU 42 2.451 -0.411 -8.484
24 HD13 LEU 42 3HD1 LEU 42 3.984 0.393 -8.145
25 HD21 LEU 42 1HD2 LEU 42 3.581 -2.603 -11.100
26 HD22 LEU 42 2HD2 LEU 42 2.209 -1.948 -10.206
27 HD23 LEU 42 3HD2 LEU 42 3.277 -3.126 -9.443
28 HA PRO 43 HA PRO 43 6.404 3.611 -13.517
29 HB2 PRO 43 1HB PRO 43 4.960 3.174 -15.774
30 HB3 PRO 43 2HB PRO 43 6.574 2.498 -15.520
31 HG2 PRO 43 1HG PRO 43 3.899 1.198 -15.174
32 HG3 PRO 43 2HG PRO 43 5.373 0.546 -15.913
33 HD2 PRO 43 1HD PRO 43 4.612 -0.073 -13.389
34 HD3 PRO 43 2HD PRO 43 6.317 0.028 -13.874
35 H ALA 44 H ALA 44 3.498 2.344 -12.351
36 HA ALA 44 HA ALA 44 1.530 4.046 -13.278
37 HB1 ALA 44 1HB ALA 44 1.066 3.659 -10.511
38 HB2 ALA 44 2HB ALA 44 0.342 2.806 -11.876
39 HB3 ALA 44 3HB ALA 44 1.825 2.196 -11.141
40 H PHE 45 H PHE 45 4.040 4.642 -10.906
41 HA PHE 45 HA PHE 45 3.055 6.946 -9.700
42 HB2 PHE 45 1HB PHE 45 5.676 5.671 -10.023
43 HB3 PHE 45 2HB PHE 45 5.760 7.420 -9.834
44 HD1 PHE 45 HD1 PHE 45 3.341 5.043 -8.327
45 HD2 PHE 45 HD2 PHE 45 6.605 7.698 -7.686
46 HE1 PHE 45 HE1 PHE 45 3.068 4.787 -5.895
47 HE2 PHE 45 HE2 PHE 45 6.338 7.446 -5.253
48 HZ PHE 45 HZ PHE 45 4.568 5.988 -4.355
49 H SER 46 H SER 46 4.303 6.458 -12.882
50 HA SER 46 HA SER 46 5.223 8.959 -13.595
51 HB2 SER 46 1HB SER 46 5.474 7.249 -15.199
52 HB3 SER 46 2HB SER 46 3.758 6.843 -15.162
53 HG SER 46 HG SER 46 4.621 8.159 -17.001
54 H GLN 47 H GLN 47 1.989 7.867 -14.590
55 HA GLN 47 HA GLN 47 0.690 10.171 -13.485
56 HB2 GLN 47 1HB GLN 47 1.783 10.365 -16.117
57 HB3 GLN 47 2HB GLN 47 0.029 10.356 -16.243
58 HG2 GLN 47 1HG GLN 47 1.058 12.101 -14.139
59 HG3 GLN 47 2HG GLN 47 1.568 12.550 -15.765
60 HE21 GLN 47 1HE2 GLN 47 -2.477 12.349 -15.190
61 HE22 GLN 47 2HE2 GLN 47 -1.441 11.090 -14.619
62 H VAL 48 H VAL 48 -1.114 9.287 -12.741
63 HA VAL 48 HA VAL 48 -2.736 7.645 -14.545
64 HB VAL 48 HB VAL 48 -1.549 6.008 -13.225
65 HG11 VAL 48 1HG1 VAL 48 -1.032 7.605 -11.348
66 HG12 VAL 48 2HG1 VAL 48 -2.659 7.293 -10.739
67 HG13 VAL 48 3HG1 VAL 48 -1.491 5.976 -10.853
68 HG21 VAL 48 1HG2 VAL 48 -4.122 5.958 -11.786
69 HG22 VAL 48 2HG2 VAL 48 -4.222 6.077 -13.543
70 HG23 VAL 48 3HG2 VAL 48 -3.362 4.729 -12.797
71 H ASP 49 H ASP 49 -2.519 9.410 -11.488
72 HA ASP 49 HA ASP 49 -5.044 10.677 -11.950
73 HB2 ASP 49 1HB ASP 49 -5.416 8.280 -10.858
74 HB3 ASP 49 2HB ASP 49 -5.025 9.160 -9.383
75 HA PRO 50 HA PRO 50 -2.102 13.237 -9.567
76 HB2 PRO 50 1HB PRO 50 -2.877 15.566 -10.726
77 HB3 PRO 50 2HB PRO 50 -1.700 14.472 -11.462
78 HG2 PRO 50 1HG PRO 50 -4.621 14.779 -12.040
79 HG3 PRO 50 2HG PRO 50 -3.270 14.589 -13.173
80 HD2 PRO 50 1HD PRO 50 -4.893 12.534 -12.485
81 HD3 PRO 50 2HD PRO 50 -3.177 12.306 -12.876
82 H GLU 51 H GLU 51 -5.480 12.991 -9.752
83 HA GLU 51 HA GLU 51 -5.922 15.055 -7.723
84 HB2 GLU 51 1HB GLU 51 -7.559 13.787 -9.791
85 HB3 GLU 51 2HB GLU 51 -8.378 13.913 -8.241
86 HG2 GLU 51 1HG GLU 51 -7.422 16.390 -8.387
87 HG3 GLU 51 2HG GLU 51 -7.513 16.034 -10.111
88 H VAL 52 H VAL 52 -5.655 11.650 -8.100
89 HA VAL 52 HA VAL 52 -7.109 10.932 -5.731
90 HB VAL 52 HB VAL 52 -6.310 9.514 -7.900
91 HG11 VAL 52 1HG1 VAL 52 -4.482 8.619 -5.678
92 HG12 VAL 52 2HG1 VAL 52 -4.608 7.940 -7.302
93 HG13 VAL 52 3HG1 VAL 52 -3.959 9.564 -7.071
94 HG21 VAL 52 1HG2 VAL 52 -6.846 8.322 -5.182
95 HG22 VAL 52 2HG2 VAL 52 -8.086 8.964 -6.259
96 HG23 VAL 52 3HG2 VAL 52 -7.133 7.563 -6.748
97 H PHE 53 H PHE 53 -3.801 11.719 -6.525
98 HA PHE 53 HA PHE 53 -2.681 10.735 -4.081
99 HB2 PHE 53 1HB PHE 53 -1.648 11.540 -6.508
100 HB3 PHE 53 2HB PHE 53 -1.173 12.850 -5.432
101 HD1 PHE 53 HD1 PHE 53 -0.944 9.213 -6.000
102 HD2 PHE 53 HD2 PHE 53 0.538 12.563 -3.832
103 HE1 PHE 53 HE1 PHE 53 0.926 7.845 -5.170
104 HE2 PHE 53 HE2 PHE 53 2.410 11.200 -2.999
105 HZ PHE 53 HZ PHE 53 2.606 8.838 -3.669
106 H ALA 54 H ALA 54 -3.865 13.839 -5.236
107 HA ALA 54 HA ALA 54 -2.977 15.306 -2.939
108 HB1 ALA 54 1HB ALA 54 -4.056 17.178 -3.891
109 HB2 ALA 54 2HB ALA 54 -3.391 16.261 -5.244
110 HB3 ALA 54 3HB ALA 54 -5.112 16.164 -4.875
111 H ALA 55 H ALA 55 -5.656 13.300 -3.643
112 HA ALA 55 HA ALA 55 -7.552 14.473 -1.872
113 HB1 ALA 55 1HB ALA 55 -8.144 11.743 -2.111
114 HB2 ALA 55 2HB ALA 55 -8.849 13.082 -3.017
115 HB3 ALA 55 3HB ALA 55 -7.444 12.228 -3.656
116 H LEU 56 H LEU 56 -5.132 11.921 -1.551
117 HA LEU 56 HA LEU 56 -5.915 11.239 1.126
118 HB2 LEU 56 1HB LEU 56 -3.303 10.586 -0.212
119 HB3 LEU 56 2HB LEU 56 -4.083 9.730 1.117
120 HG LEU 56 HG LEU 56 -5.585 9.842 -1.427
121 HD11 LEU 56 1HD1 LEU 56 -3.866 9.166 -2.679
122 HD12 LEU 56 2HD1 LEU 56 -4.007 7.634 -1.818
123 HD13 LEU 56 3HD1 LEU 56 -2.849 8.848 -1.273
124 HD21 LEU 56 1HD2 LEU 56 -5.723 8.457 0.975
125 HD22 LEU 56 2HD2 LEU 56 -5.137 7.266 -0.188
126 HD23 LEU 56 3HD2 LEU 56 -6.648 8.127 -0.490
127 HA PRO 57 HA PRO 57 -3.599 14.161 3.441
128 HB2 PRO 57 1HB PRO 57 -2.828 12.671 5.576
129 HB3 PRO 57 2HB PRO 57 -4.495 13.206 5.329
130 HG2 PRO 57 1HG PRO 57 -3.250 10.549 4.735
131 HG3 PRO 57 2HG PRO 57 -4.823 10.908 5.471
132 HD2 PRO 57 1HD PRO 57 -4.557 10.218 2.866
133 HD3 PRO 57 2HD PRO 57 -5.821 11.326 3.435
134 H ALA 58 H ALA 58 -1.508 14.845 3.944
135 HA ALA 58 HA ALA 58 0.578 14.021 2.354
136 HB1 ALA 58 1HB ALA 58 1.113 15.169 5.068
137 HB2 ALA 58 2HB ALA 58 1.944 15.478 3.542
138 HB3 ALA 58 3HB ALA 58 0.329 16.132 3.815
139 H GLU 59 H GLU 59 -0.250 12.926 5.609
140 HA GLU 59 HA GLU 59 2.056 11.387 6.082
141 HB2 GLU 59 1HB GLU 59 -0.744 11.303 7.169
142 HB3 GLU 59 2HB GLU 59 0.444 10.100 7.647
143 HG2 GLU 59 1HG GLU 59 0.591 13.073 8.065
144 HG3 GLU 59 2HG GLU 59 0.403 11.823 9.293
145 H LEU 60 H LEU 60 -1.114 10.486 4.753
146 HA LEU 60 HA LEU 60 -0.579 7.757 4.397
147 HB2 LEU 60 1HB LEU 60 -2.824 8.682 4.301
148 HB3 LEU 60 2HB LEU 60 -2.410 9.580 2.842
149 HG LEU 60 HG LEU 60 -2.216 6.597 2.842
150 HD11 LEU 60 1HD1 LEU 60 -4.378 6.646 3.599
151 HD12 LEU 60 2HD1 LEU 60 -4.636 6.807 1.862
152 HD13 LEU 60 3HD1 LEU 60 -4.706 8.232 2.899
153 HD21 LEU 60 1HD2 LEU 60 -1.531 7.198 0.792
154 HD22 LEU 60 2HD2 LEU 60 -2.251 8.803 0.911
155 HD23 LEU 60 3HD2 LEU 60 -3.250 7.419 0.465
156 H GLN 61 H GLN 61 -0.406 10.422 2.035
157 HA GLN 61 HA GLN 61 0.658 8.853 -0.055
158 HB2 GLN 61 1HB GLN 61 1.187 10.984 -1.136
159 HB3 GLN 61 2HB GLN 61 -0.435 11.006 -0.456
160 HG2 GLN 61 1HG GLN 61 0.118 12.513 1.179
161 HG3 GLN 61 2HG GLN 61 1.823 12.065 1.166
162 HE21 GLN 61 1HE2 GLN 61 0.402 14.661 -1.666
163 HE22 GLN 61 2HE2 GLN 61 -0.640 13.477 -0.960
164 H ARG 62 H ARG 62 2.090 10.351 2.709
165 HA ARG 62 HA ARG 62 4.755 10.517 1.759
166 HB2 ARG 62 1HB ARG 62 4.241 11.817 3.661
167 HB3 ARG 62 2HB ARG 62 3.538 10.447 4.510
168 HG2 ARG 62 1HG ARG 62 5.757 9.441 4.721
169 HG3 ARG 62 2HG ARG 62 6.458 10.824 3.878
170 HD2 ARG 62 1HD ARG 62 5.187 10.718 6.593
171 HD3 ARG 62 2HD ARG 62 6.797 11.284 6.148
172 HE ARG 62 HE ARG 62 4.407 12.820 6.195
173 HH11 ARG 62 1HH1 ARG 62 7.410 12.413 4.481
174 HH12 ARG 62 2HH1 ARG 62 7.474 14.058 3.939
175 HH21 ARG 62 1HH2 ARG 62 4.480 14.987 5.487
176 HH22 ARG 62 2HH2 ARG 62 5.807 15.521 4.512
177 H GLU 63 H GLU 63 2.878 7.976 3.287
178 HA GLU 63 HA GLU 63 5.166 6.246 3.629
179 HB2 GLU 63 1HB GLU 63 3.425 6.058 5.263
180 HB3 GLU 63 2HB GLU 63 2.204 5.829 4.020
181 HG2 GLU 63 1HG GLU 63 2.816 3.649 3.622
182 HG3 GLU 63 2HG GLU 63 4.449 3.883 4.244
183 H LEU 64 H LEU 64 2.792 6.878 1.212
184 HA LEU 64 HA LEU 64 3.213 4.362 -0.168
185 HB2 LEU 64 1HB LEU 64 1.307 4.822 -1.223
186 HB3 LEU 64 2HB LEU 64 1.128 6.134 -0.060
187 HG LEU 64 HG LEU 64 2.421 7.534 -1.824
188 HD11 LEU 64 1HD1 LEU 64 1.164 5.870 -3.886
189 HD12 LEU 64 2HD1 LEU 64 2.589 5.162 -3.126
190 HD13 LEU 64 3HD1 LEU 64 2.698 6.741 -3.903
191 HD21 LEU 64 1HD2 LEU 64 0.424 8.474 -2.042
192 HD22 LEU 64 2HD2 LEU 64 -0.299 7.048 -1.297
193 HD23 LEU 64 3HD2 LEU 64 -0.135 7.140 -3.051
194 H LYS 65 H LYS 65 4.220 7.708 -0.399
195 HA LYS 65 HA LYS 65 5.525 7.320 -2.953
196 HB2 LYS 65 1HB LYS 65 6.118 9.632 -2.827
197 HB3 LYS 65 2HB LYS 65 4.457 9.485 -2.266
198 HG2 LYS 65 1HG LYS 65 5.530 9.369 0.091
199 HG3 LYS 65 2HG LYS 65 6.933 10.083 -0.708
200 HD2 LYS 65 1HD LYS 65 5.191 11.780 -1.644
201 HD3 LYS 65 2HD LYS 65 4.198 11.223 -0.295
202 HE2 LYS 65 1HE LYS 65 6.226 11.707 1.174
203 HE3 LYS 65 2HE LYS 65 6.879 12.580 -0.211
204 HZ1 LYS 65 1HZ LYS 65 5.665 14.321 0.361
205 HZ2 LYS 65 2HZ LYS 65 5.034 13.482 1.687
206 HZ3 LYS 65 3HZ LYS 65 4.241 13.422 0.194
207 H ALA 66 H ALA 66 6.347 7.230 0.418
208 HA ALA 66 HA ALA 66 9.193 7.391 -0.013
209 HB1 ALA 66 1HB ALA 66 9.398 7.023 2.360
210 HB2 ALA 66 2HB ALA 66 8.123 8.206 2.063
211 HB3 ALA 66 3HB ALA 66 7.704 6.541 2.467
212 H ALA 67 H ALA 67 6.874 4.839 0.846
213 HA ALA 67 HA ALA 67 8.642 2.722 1.140
214 HB1 ALA 67 1HB ALA 67 6.719 1.268 0.555
215 HB2 ALA 67 2HB ALA 67 6.331 2.498 1.759
216 HB3 ALA 67 3HB ALA 67 5.819 2.710 0.085
217 H TYR 68 H TYR 68 7.432 4.245 -1.761
218 HA TYR 68 HA TYR 68 8.211 2.190 -3.569
219 HB2 TYR 68 1HB TYR 68 7.231 4.977 -3.775
220 HB3 TYR 68 2HB TYR 68 8.175 4.388 -5.139
221 HD1 TYR 68 HD1 TYR 68 5.426 3.133 -2.927
222 HD2 TYR 68 HD2 TYR 68 6.971 3.482 -6.876
223 HE1 TYR 68 HE1 TYR 68 3.434 1.987 -3.801
224 HE2 TYR 68 HE2 TYR 68 4.982 2.338 -7.761
225 HH TYR 68 HH TYR 68 2.226 2.053 -6.312
226 H ASP 69 H ASP 69 9.871 4.786 -2.003
227 HA ASP 69 HA ASP 69 12.160 4.599 -3.805
228 HB2 ASP 69 1HB ASP 69 11.282 6.500 -1.686
229 HB3 ASP 69 2HB ASP 69 13.013 6.347 -1.980
230 H GLN 70 H GLN 70 11.268 3.923 -0.459
231 HA GLN 70 HA GLN 70 13.722 3.284 0.621
232 HB2 GLN 70 1HB GLN 70 11.022 2.025 1.114
233 HB3 GLN 70 2HB GLN 70 12.441 1.694 2.099
234 HG2 GLN 70 1HG GLN 70 10.930 4.266 1.809
235 HG3 GLN 70 2HG GLN 70 11.221 3.317 3.266
236 HE21 GLN 70 1HE2 GLN 70 13.817 6.147 2.079
237 HE22 GLN 70 2HE2 GLN 70 12.347 5.803 1.238
238 H ARG 71 H ARG 71 11.478 1.067 -1.037
239 HA ARG 71 HA ARG 71 13.687 -0.851 -1.316
240 HB2 ARG 71 1HB ARG 71 11.821 -2.457 -1.933
241 HB3 ARG 71 2HB ARG 71 11.840 -1.895 -0.267
242 HG2 ARG 71 1HG ARG 71 10.237 -0.160 -1.917
243 HG3 ARG 71 2HG ARG 71 9.701 -1.837 -2.042
244 HD2 ARG 71 1HD ARG 71 10.169 -0.389 0.560
245 HD3 ARG 71 2HD ARG 71 8.596 -0.540 -0.222
246 HE ARG 71 HE ARG 71 9.689 -3.099 0.071
247 HH11 ARG 71 1HH1 ARG 71 8.449 -0.500 2.028
248 HH12 ARG 71 2HH1 ARG 71 7.911 -1.542 3.303
249 HH21 ARG 71 1HH2 ARG 71 8.986 -4.482 1.743
250 HH22 ARG 71 2HH2 ARG 71 8.218 -3.807 3.140
251 H GLN 72 H GLN 72 13.391 1.527 -2.973
252 HA GLN 72 HA GLN 72 12.243 1.109 -5.449
253 HB2 GLN 72 1HB GLN 72 13.358 3.213 -4.610
254 HB3 GLN 72 2HB GLN 72 14.900 2.475 -5.020
255 HG2 GLN 72 1HG GLN 72 13.303 2.223 -7.304
256 HG3 GLN 72 2HG GLN 72 13.038 3.858 -6.701
257 HE21 GLN 72 1HE2 GLN 72 16.194 3.208 -8.888
258 HE22 GLN 72 2HE2 GLN 72 14.706 2.331 -8.901
Start of MODEL 13
1 H ILE 40 H ILE 40 2.054 -1.256 0.486
2 HA ILE 40 HA ILE 40 2.260 0.066 -2.038
3 HB ILE 40 HB ILE 40 4.619 -0.032 -1.764
4 HG12 ILE 40 1HG1 ILE 40 4.987 -1.551 0.612
5 HG13 ILE 40 2HG1 ILE 40 4.050 -2.536 -0.506
6 HG21 ILE 40 1HG2 ILE 40 3.274 0.264 0.917
7 HG22 ILE 40 2HG2 ILE 40 4.916 0.795 0.555
8 HG23 ILE 40 3HG2 ILE 40 3.548 1.530 -0.280
9 HD11 ILE 40 1HD1 ILE 40 6.151 -3.119 -1.135
10 HD12 ILE 40 2HD1 ILE 40 5.906 -1.736 -2.201
11 HD13 ILE 40 3HD1 ILE 40 6.836 -1.549 -0.714
12 H ALA 41 H ALA 41 4.360 -1.155 -3.311
13 HA ALA 41 HA ALA 41 4.889 -2.775 -4.821
14 HB1 ALA 41 1HB ALA 41 3.201 -4.816 -3.476
15 HB2 ALA 41 2HB ALA 41 4.833 -4.949 -4.134
16 HB3 ALA 41 3HB ALA 41 4.569 -4.149 -2.585
17 H LEU 42 H LEU 42 2.136 -1.302 -4.690
18 HA LEU 42 HA LEU 42 0.592 -3.032 -6.466
19 HB2 LEU 42 1HB LEU 42 -1.069 -1.093 -6.284
20 HB3 LEU 42 2HB LEU 42 -0.798 -2.098 -4.862
21 HG LEU 42 HG LEU 42 0.945 0.226 -4.911
22 HD11 LEU 42 1HD1 LEU 42 -1.185 1.009 -6.125
23 HD12 LEU 42 2HD1 LEU 42 -0.595 1.958 -4.761
24 HD13 LEU 42 3HD1 LEU 42 -1.958 0.860 -4.547
25 HD21 LEU 42 1HD2 LEU 42 0.342 0.366 -2.647
26 HD22 LEU 42 2HD2 LEU 42 0.357 -1.361 -3.007
27 HD23 LEU 42 3HD2 LEU 42 -1.176 -0.493 -2.909
28 HA PRO 43 HA PRO 43 1.658 -0.971 -10.190
29 HB2 PRO 43 1HB PRO 43 -0.700 -0.988 -11.535
30 HB3 PRO 43 2HB PRO 43 0.271 -2.443 -11.279
31 HG2 PRO 43 1HG PRO 43 -2.138 -1.484 -9.781
32 HG3 PRO 43 2HG PRO 43 -1.739 -3.124 -10.328
33 HD2 PRO 43 1HD PRO 43 -1.368 -2.310 -7.772
34 HD3 PRO 43 2HD PRO 43 -0.314 -3.503 -8.557
35 H ALA 44 H ALA 44 1.612 0.970 -8.419
36 HA ALA 44 HA ALA 44 -0.324 2.989 -9.309
37 HB1 ALA 44 1HB ALA 44 0.579 2.318 -6.780
38 HB2 ALA 44 2HB ALA 44 1.432 3.816 -7.157
39 HB3 ALA 44 3HB ALA 44 -0.330 3.764 -7.221
40 H PHE 45 H PHE 45 1.078 5.285 -8.676
41 HA PHE 45 HA PHE 45 2.486 6.816 -9.595
42 HB2 PHE 45 1HB PHE 45 4.340 4.470 -10.040
43 HB3 PHE 45 2HB PHE 45 4.790 6.170 -9.952
44 HD1 PHE 45 HD1 PHE 45 3.582 3.284 -8.010
45 HD2 PHE 45 HD2 PHE 45 5.113 7.253 -7.868
46 HE1 PHE 45 HE1 PHE 45 3.936 3.057 -5.586
47 HE2 PHE 45 HE2 PHE 45 5.470 7.032 -5.444
48 HZ PHE 45 HZ PHE 45 4.882 4.932 -4.300
49 H SER 46 H SER 46 0.644 5.119 -11.293
50 HA SER 46 HA SER 46 1.777 5.941 -13.871
51 HB2 SER 46 1HB SER 46 1.289 3.220 -13.019
52 HB3 SER 46 2HB SER 46 0.298 3.620 -14.421
53 HG SER 46 HG SER 46 3.062 3.431 -14.184
54 H GLN 47 H GLN 47 -1.167 4.186 -12.928
55 HA GLN 47 HA GLN 47 -2.749 6.191 -14.351
56 HB2 GLN 47 1HB GLN 47 -3.018 3.724 -14.809
57 HB3 GLN 47 2HB GLN 47 -3.694 3.568 -13.193
58 HG2 GLN 47 1HG GLN 47 -5.685 4.085 -13.990
59 HG3 GLN 47 2HG GLN 47 -5.076 5.670 -14.464
60 HE21 GLN 47 1HE2 GLN 47 -4.243 4.416 -17.809
61 HE22 GLN 47 2HE2 GLN 47 -3.407 5.153 -16.489
62 H VAL 48 H VAL 48 -1.773 7.234 -12.062
63 HA VAL 48 HA VAL 48 -4.101 7.234 -10.252
64 HB VAL 48 HB VAL 48 -1.975 8.283 -8.795
65 HG11 VAL 48 1HG1 VAL 48 -2.571 5.411 -8.459
66 HG12 VAL 48 2HG1 VAL 48 -2.603 6.724 -7.281
67 HG13 VAL 48 3HG1 VAL 48 -3.950 6.508 -8.400
68 HG21 VAL 48 1HG2 VAL 48 -1.053 5.727 -10.092
69 HG22 VAL 48 2HG2 VAL 48 -0.494 7.324 -10.587
70 HG23 VAL 48 3HG2 VAL 48 -0.168 6.743 -8.954
71 H ASP 49 H ASP 49 -5.116 8.946 -11.322
72 HA ASP 49 HA ASP 49 -4.053 11.306 -12.222
73 HB2 ASP 49 1HB ASP 49 -6.682 10.378 -11.389
74 HB3 ASP 49 2HB ASP 49 -6.455 12.093 -11.055
75 HA PRO 50 HA PRO 50 -2.665 13.712 -8.829
76 HB2 PRO 50 1HB PRO 50 -3.511 16.207 -9.484
77 HB3 PRO 50 2HB PRO 50 -2.191 15.387 -10.327
78 HG2 PRO 50 1HG PRO 50 -5.063 15.668 -11.123
79 HG3 PRO 50 2HG PRO 50 -3.606 15.829 -12.120
80 HD2 PRO 50 1HD PRO 50 -5.120 13.585 -12.108
81 HD3 PRO 50 2HD PRO 50 -3.363 13.550 -12.358
82 H GLU 51 H GLU 51 -6.030 14.438 -9.734
83 HA GLU 51 HA GLU 51 -6.811 15.624 -7.324
84 HB2 GLU 51 1HB GLU 51 -8.086 14.687 -9.730
85 HB3 GLU 51 2HB GLU 51 -9.046 14.233 -8.329
86 HG2 GLU 51 1HG GLU 51 -8.124 16.966 -8.146
87 HG3 GLU 51 2HG GLU 51 -9.040 16.680 -9.625
88 H VAL 52 H VAL 52 -6.123 12.358 -8.077
89 HA VAL 52 HA VAL 52 -7.651 11.291 -5.842
90 HB VAL 52 HB VAL 52 -5.697 9.625 -7.359
91 HG11 VAL 52 1HG1 VAL 52 -6.825 8.422 -5.716
92 HG12 VAL 52 2HG1 VAL 52 -8.357 9.238 -6.034
93 HG13 VAL 52 3HG1 VAL 52 -7.731 8.056 -7.184
94 HG21 VAL 52 1HG2 VAL 52 -6.692 10.844 -9.157
95 HG22 VAL 52 2HG2 VAL 52 -7.446 9.250 -9.109
96 HG23 VAL 52 3HG2 VAL 52 -8.305 10.651 -8.469
97 H PHE 53 H PHE 53 -4.241 11.446 -6.859
98 HA PHE 53 HA PHE 53 -3.182 10.369 -4.480
99 HB2 PHE 53 1HB PHE 53 -2.109 10.872 -6.864
100 HB3 PHE 53 2HB PHE 53 -1.584 12.339 -6.044
101 HD1 PHE 53 HD1 PHE 53 -0.631 9.131 -6.878
102 HD2 PHE 53 HD2 PHE 53 -0.601 11.826 -3.584
103 HE1 PHE 53 HE1 PHE 53 1.253 7.896 -5.888
104 HE2 PHE 53 HE2 PHE 53 1.283 10.596 -2.590
105 HZ PHE 53 HZ PHE 53 2.213 8.629 -3.742
106 H ALA 54 H ALA 54 -3.924 13.663 -5.474
107 HA ALA 54 HA ALA 54 -2.745 14.865 -3.147
108 HB1 ALA 54 1HB ALA 54 -3.021 15.974 -5.401
109 HB2 ALA 54 2HB ALA 54 -4.730 16.151 -5.004
110 HB3 ALA 54 3HB ALA 54 -3.507 16.932 -4.002
111 H ALA 55 H ALA 55 -5.733 13.369 -3.868
112 HA ALA 55 HA ALA 55 -7.429 14.763 -2.088
113 HB1 ALA 55 1HB ALA 55 -8.888 13.504 -3.188
114 HB2 ALA 55 2HB ALA 55 -7.600 12.463 -3.798
115 HB3 ALA 55 3HB ALA 55 -8.346 12.120 -2.237
116 H LEU 56 H LEU 56 -5.328 11.953 -1.693
117 HA LEU 56 HA LEU 56 -6.169 11.448 1.005
118 HB2 LEU 56 1HB LEU 56 -3.583 10.445 -0.084
119 HB3 LEU 56 2HB LEU 56 -4.738 9.646 0.980
120 HG LEU 56 HG LEU 56 -6.113 9.951 -1.414
121 HD11 LEU 56 1HD1 LEU 56 -4.561 8.867 -3.039
122 HD12 LEU 56 2HD1 LEU 56 -3.239 9.208 -1.923
123 HD13 LEU 56 3HD1 LEU 56 -4.151 10.536 -2.641
124 HD21 LEU 56 1HD2 LEU 56 -5.756 8.014 0.350
125 HD22 LEU 56 2HD2 LEU 56 -4.622 7.437 -0.872
126 HD23 LEU 56 3HD2 LEU 56 -6.319 7.682 -1.288
127 HA PRO 57 HA PRO 57 -3.503 14.110 3.254
128 HB2 PRO 57 1HB PRO 57 -2.805 12.558 5.369
129 HB3 PRO 57 2HB PRO 57 -4.423 13.242 5.172
130 HG2 PRO 57 1HG PRO 57 -3.444 10.483 4.549
131 HG3 PRO 57 2HG PRO 57 -4.954 10.984 5.332
132 HD2 PRO 57 1HD PRO 57 -4.834 10.270 2.723
133 HD3 PRO 57 2HD PRO 57 -5.973 11.490 3.328
134 H ALA 58 H ALA 58 -1.404 14.711 3.268
135 HA ALA 58 HA ALA 58 0.531 13.442 1.782
136 HB1 ALA 58 1HB ALA 58 0.475 15.642 3.702
137 HB2 ALA 58 2HB ALA 58 2.037 14.829 3.598
138 HB3 ALA 58 3HB ALA 58 1.299 15.511 2.148
139 H GLU 59 H GLU 59 -0.256 13.005 5.174
140 HA GLU 59 HA GLU 59 2.007 11.625 6.026
141 HB2 GLU 59 1HB GLU 59 0.218 12.416 7.530
142 HB3 GLU 59 2HB GLU 59 -0.857 11.183 6.888
143 HG2 GLU 59 1HG GLU 59 -0.167 10.044 8.695
144 HG3 GLU 59 2HG GLU 59 1.188 9.630 7.646
145 H LEU 60 H LEU 60 -0.878 10.459 4.358
146 HA LEU 60 HA LEU 60 0.093 7.722 4.385
147 HB2 LEU 60 1HB LEU 60 -2.185 7.702 4.619
148 HB3 LEU 60 2HB LEU 60 -2.413 9.094 3.561
149 HG LEU 60 HG LEU 60 -1.478 6.555 2.330
150 HD11 LEU 60 1HD1 LEU 60 -3.203 5.700 3.745
151 HD12 LEU 60 2HD1 LEU 60 -3.849 5.823 2.109
152 HD13 LEU 60 3HD1 LEU 60 -4.283 7.028 3.321
153 HD21 LEU 60 1HD2 LEU 60 -1.733 8.052 0.661
154 HD22 LEU 60 2HD2 LEU 60 -2.889 9.030 1.566
155 HD23 LEU 60 3HD2 LEU 60 -3.422 7.552 0.762
156 H GLN 61 H GLN 61 -0.344 10.373 2.106
157 HA GLN 61 HA GLN 61 0.272 8.946 -0.243
158 HB2 GLN 61 1HB GLN 61 -0.144 10.910 -1.229
159 HB3 GLN 61 2HB GLN 61 -0.476 11.543 0.378
160 HG2 GLN 61 1HG GLN 61 1.734 12.389 0.590
161 HG3 GLN 61 2HG GLN 61 2.258 11.550 -0.869
162 HE21 GLN 61 1HE2 GLN 61 -0.412 14.550 -1.580
163 HE22 GLN 61 2HE2 GLN 61 -0.746 13.315 -0.418
164 H ARG 62 H ARG 62 2.258 10.344 2.248
165 HA ARG 62 HA ARG 62 4.693 10.205 0.710
166 HB2 ARG 62 1HB ARG 62 5.758 11.155 2.553
167 HB3 ARG 62 2HB ARG 62 4.135 11.826 2.646
168 HG2 ARG 62 1HG ARG 62 3.679 9.803 4.214
169 HG3 ARG 62 2HG ARG 62 5.436 9.771 4.371
170 HD2 ARG 62 1HD ARG 62 5.384 12.146 5.045
171 HD3 ARG 62 2HD ARG 62 3.623 12.108 4.961
172 HE ARG 62 HE ARG 62 3.610 11.129 7.017
173 HH11 ARG 62 1HH1 ARG 62 6.735 10.619 5.570
174 HH12 ARG 62 2HH1 ARG 62 7.408 9.864 6.977
175 HH21 ARG 62 1HH2 ARG 62 4.485 10.137 8.875
176 HH22 ARG 62 2HH2 ARG 62 6.127 9.590 8.856
177 H GLU 63 H GLU 63 2.919 8.155 2.874
178 HA GLU 63 HA GLU 63 5.054 6.413 3.576
179 HB2 GLU 63 1HB GLU 63 3.111 6.441 4.971
180 HB3 GLU 63 2HB GLU 63 2.056 6.075 3.613
181 HG2 GLU 63 1HG GLU 63 2.400 3.879 3.784
182 HG3 GLU 63 2HG GLU 63 4.131 4.073 4.052
183 H LEU 64 H LEU 64 2.868 6.617 0.870
184 HA LEU 64 HA LEU 64 3.540 3.983 -0.123
185 HB2 LEU 64 1HB LEU 64 1.939 4.317 -1.752
186 HB3 LEU 64 2HB LEU 64 1.309 5.245 -0.393
187 HG LEU 64 HG LEU 64 2.631 7.196 -1.662
188 HD11 LEU 64 1HD1 LEU 64 3.409 6.435 -3.620
189 HD12 LEU 64 2HD1 LEU 64 1.735 6.576 -4.155
190 HD13 LEU 64 3HD1 LEU 64 2.356 5.020 -3.604
191 HD21 LEU 64 1HD2 LEU 64 0.039 6.593 -1.139
192 HD22 LEU 64 2HD2 LEU 64 0.029 6.634 -2.902
193 HD23 LEU 64 3HD2 LEU 64 0.576 8.042 -1.990
194 H LYS 65 H LYS 65 4.484 7.303 -0.671
195 HA LYS 65 HA LYS 65 5.979 6.718 -3.064
196 HB2 LYS 65 1HB LYS 65 5.981 9.180 -1.308
197 HB3 LYS 65 2HB LYS 65 6.734 9.055 -2.892
198 HG2 LYS 65 1HG LYS 65 4.698 9.009 -3.999
199 HG3 LYS 65 2HG LYS 65 3.813 8.512 -2.555
200 HD2 LYS 65 1HD LYS 65 3.247 10.668 -2.359
201 HD3 LYS 65 2HD LYS 65 4.904 10.923 -1.806
202 HE2 LYS 65 1HE LYS 65 5.618 11.550 -3.988
203 HE3 LYS 65 2HE LYS 65 4.094 11.029 -4.704
204 HZ1 LYS 65 1HZ LYS 65 3.343 12.858 -2.837
205 HZ2 LYS 65 2HZ LYS 65 3.478 13.142 -4.499
206 HZ3 LYS 65 3HZ LYS 65 4.764 13.524 -3.469
207 H ALA 66 H ALA 66 6.763 7.487 0.314
208 HA ALA 66 HA ALA 66 9.566 7.330 0.022
209 HB1 ALA 66 1HB ALA 66 8.156 6.685 2.586
210 HB2 ALA 66 2HB ALA 66 9.691 7.519 2.337
211 HB3 ALA 66 3HB ALA 66 8.174 8.329 1.945
212 H ALA 67 H ALA 67 7.155 4.939 1.061
213 HA ALA 67 HA ALA 67 8.825 2.854 1.764
214 HB1 ALA 67 1HB ALA 67 6.944 1.359 1.180
215 HB2 ALA 67 2HB ALA 67 6.448 2.748 2.147
216 HB3 ALA 67 3HB ALA 67 6.134 2.725 0.412
217 H TYR 68 H TYR 68 7.753 3.852 -1.445
218 HA TYR 68 HA TYR 68 8.852 1.618 -2.821
219 HB2 TYR 68 1HB TYR 68 7.626 4.207 -3.557
220 HB3 TYR 68 2HB TYR 68 8.735 3.523 -4.741
221 HD1 TYR 68 HD1 TYR 68 7.872 2.084 -6.325
222 HD2 TYR 68 HD2 TYR 68 5.860 2.468 -2.595
223 HE1 TYR 68 HE1 TYR 68 6.092 0.593 -7.138
224 HE2 TYR 68 HE2 TYR 68 4.076 0.978 -3.398
225 HH TYR 68 HH TYR 68 3.600 0.225 -6.573
226 H ASP 69 H ASP 69 10.146 4.595 -1.635
227 HA ASP 69 HA ASP 69 12.526 4.466 -3.286
228 HB2 ASP 69 1HB ASP 69 11.497 6.348 -1.192
229 HB3 ASP 69 2HB ASP 69 13.201 6.386 -1.637
230 H GLN 70 H GLN 70 11.562 3.763 0.021
231 HA GLN 70 HA GLN 70 14.078 3.405 1.168
232 HB2 GLN 70 1HB GLN 70 11.454 2.031 1.761
233 HB3 GLN 70 2HB GLN 70 12.887 1.881 2.769
234 HG2 GLN 70 1HG GLN 70 11.189 4.298 2.279
235 HG3 GLN 70 2HG GLN 70 11.577 3.510 3.807
236 HE21 GLN 70 1HE2 GLN 70 13.915 6.421 2.319
237 HE22 GLN 70 2HE2 GLN 70 12.465 5.887 1.545
238 H ARG 71 H ARG 71 11.963 1.009 -0.399
239 HA ARG 71 HA ARG 71 13.768 -1.153 -0.121
240 HB2 ARG 71 1HB ARG 71 11.602 -0.830 -2.203
241 HB3 ARG 71 2HB ARG 71 12.324 -2.337 -1.656
242 HG2 ARG 71 1HG ARG 71 10.606 -0.481 -0.022
243 HG3 ARG 71 2HG ARG 71 10.137 -2.052 -0.677
244 HD2 ARG 71 1HD ARG 71 12.240 -1.508 1.414
245 HD3 ARG 71 2HD ARG 71 10.679 -2.289 1.660
246 HE ARG 71 HE ARG 71 11.894 -3.850 -0.199
247 HH11 ARG 71 1HH1 ARG 71 12.805 -2.681 2.951
248 HH12 ARG 71 2HH1 ARG 71 13.790 -4.057 3.321
249 HH21 ARG 71 1HH2 ARG 71 13.188 -5.668 0.277
250 HH22 ARG 71 2HH2 ARG 71 14.008 -5.755 1.799
251 H GLN 72 H GLN 72 13.636 1.504 -2.283
252 HA GLN 72 HA GLN 72 14.881 2.124 -4.083
253 HB2 GLN 72 1HB GLN 72 16.618 0.796 -2.282
254 HB3 GLN 72 2HB GLN 72 17.065 0.279 -3.902
255 HG2 GLN 72 1HG GLN 72 16.824 2.930 -4.299
256 HG3 GLN 72 2HG GLN 72 17.327 2.906 -2.610
257 HE21 GLN 72 1HE2 GLN 72 19.907 1.942 -5.584
258 HE22 GLN 72 2HE2 GLN 72 18.224 2.191 -5.882
Start of MODEL 14
1 H ILE 40 H ILE 40 3.955 -1.008 -3.410
2 HA ILE 40 HA ILE 40 5.289 -2.670 -1.399
3 HB ILE 40 HB ILE 40 5.481 -0.631 -0.065
4 HG12 ILE 40 1HG1 ILE 40 4.901 1.484 -1.690
5 HG13 ILE 40 2HG1 ILE 40 3.601 0.371 -2.102
6 HG21 ILE 40 1HG2 ILE 40 6.439 -0.503 -2.909
7 HG22 ILE 40 2HG2 ILE 40 6.924 0.679 -1.695
8 HG23 ILE 40 3HG2 ILE 40 7.323 -1.025 -1.475
9 HD11 ILE 40 1HD1 ILE 40 3.669 2.127 0.029
10 HD12 ILE 40 2HD1 ILE 40 2.532 0.800 -0.210
11 HD13 ILE 40 3HD1 ILE 40 3.987 0.552 0.755
12 H ALA 41 H ALA 41 2.251 -1.078 -2.108
13 HA ALA 41 HA ALA 41 0.716 -2.779 -0.516
14 HB1 ALA 41 1HB ALA 41 0.757 -1.946 1.539
15 HB2 ALA 41 2HB ALA 41 2.032 -0.839 1.030
16 HB3 ALA 41 3HB ALA 41 0.344 -0.339 0.939
17 H LEU 42 H LEU 42 1.076 0.399 -1.957
18 HA LEU 42 HA LEU 42 -1.804 0.431 -2.561
19 HB2 LEU 42 1HB LEU 42 0.072 2.762 -2.819
20 HB3 LEU 42 2HB LEU 42 -1.690 2.779 -2.759
21 HG LEU 42 HG LEU 42 -1.248 1.793 -0.337
22 HD11 LEU 42 1HD1 LEU 42 0.878 1.806 0.287
23 HD12 LEU 42 2HD1 LEU 42 0.876 3.563 0.139
24 HD13 LEU 42 3HD1 LEU 42 1.364 2.563 -1.230
25 HD21 LEU 42 1HD2 LEU 42 -1.110 4.265 0.415
26 HD22 LEU 42 2HD2 LEU 42 -2.521 3.723 -0.494
27 HD23 LEU 42 3HD2 LEU 42 -1.240 4.624 -1.307
28 HA PRO 43 HA PRO 43 0.106 -0.630 -6.595
29 HB2 PRO 43 1HB PRO 43 -2.017 -2.091 -7.447
30 HB3 PRO 43 2HB PRO 43 -0.741 -2.758 -6.422
31 HG2 PRO 43 1HG PRO 43 -3.456 -1.756 -5.657
32 HG3 PRO 43 2HG PRO 43 -2.601 -3.205 -5.099
33 HD2 PRO 43 1HD PRO 43 -2.716 -0.928 -3.638
34 HD3 PRO 43 2HD PRO 43 -1.318 -2.021 -3.594
35 H ALA 44 H ALA 44 -0.428 1.841 -6.632
36 HA ALA 44 HA ALA 44 -2.452 2.218 -8.721
37 HB1 ALA 44 1HB ALA 44 -2.406 3.478 -6.058
38 HB2 ALA 44 2HB ALA 44 -2.717 4.559 -7.417
39 HB3 ALA 44 3HB ALA 44 -3.759 3.163 -7.145
40 H PHE 45 H PHE 45 0.672 2.370 -7.975
41 HA PHE 45 HA PHE 45 1.530 4.934 -8.714
42 HB2 PHE 45 1HB PHE 45 2.941 2.280 -9.062
43 HB3 PHE 45 2HB PHE 45 3.710 3.860 -9.177
44 HD1 PHE 45 HD1 PHE 45 4.328 5.074 -7.240
45 HD2 PHE 45 HD2 PHE 45 2.056 1.492 -6.893
46 HE1 PHE 45 HE1 PHE 45 4.741 5.051 -4.814
47 HE2 PHE 45 HE2 PHE 45 2.464 1.463 -4.467
48 HZ PHE 45 HZ PHE 45 3.808 3.245 -3.424
49 H SER 46 H SER 46 0.172 2.419 -10.575
50 HA SER 46 HA SER 46 1.341 2.666 -13.055
51 HB2 SER 46 1HB SER 46 -1.107 1.604 -12.006
52 HB3 SER 46 2HB SER 46 -1.454 2.466 -13.505
53 HG SER 46 HG SER 46 -0.758 0.697 -14.403
54 H GLN 47 H GLN 47 -1.802 4.196 -12.419
55 HA GLN 47 HA GLN 47 -1.093 6.834 -12.925
56 HB2 GLN 47 1HB GLN 47 -2.063 6.999 -15.291
57 HB3 GLN 47 2HB GLN 47 -0.435 6.355 -15.127
58 HG2 GLN 47 1HG GLN 47 -1.024 4.306 -15.846
59 HG3 GLN 47 2HG GLN 47 -2.610 4.372 -15.079
60 HE21 GLN 47 1HE2 GLN 47 -4.134 6.073 -17.842
61 HE22 GLN 47 2HE2 GLN 47 -4.086 6.079 -16.115
62 H VAL 48 H VAL 48 -2.716 6.221 -11.105
63 HA VAL 48 HA VAL 48 -5.431 5.774 -11.793
64 HB VAL 48 HB VAL 48 -4.254 6.965 -9.278
65 HG11 VAL 48 1HG1 VAL 48 -7.022 5.910 -9.840
66 HG12 VAL 48 2HG1 VAL 48 -6.404 6.322 -8.240
67 HG13 VAL 48 3HG1 VAL 48 -6.581 7.576 -9.468
68 HG21 VAL 48 1HG2 VAL 48 -4.935 4.158 -10.102
69 HG22 VAL 48 2HG2 VAL 48 -3.405 4.783 -9.487
70 HG23 VAL 48 3HG2 VAL 48 -4.792 4.629 -8.408
71 H ASP 49 H ASP 49 -4.188 8.681 -10.168
72 HA ASP 49 HA ASP 49 -5.060 10.512 -12.131
73 HB2 ASP 49 1HB ASP 49 -7.144 9.487 -10.528
74 HB3 ASP 49 2HB ASP 49 -6.830 11.119 -9.944
75 HA PRO 50 HA PRO 50 -2.440 13.094 -9.731
76 HB2 PRO 50 1HB PRO 50 -3.274 15.538 -10.570
77 HB3 PRO 50 2HB PRO 50 -2.312 14.451 -11.580
78 HG2 PRO 50 1HG PRO 50 -5.267 14.932 -11.595
79 HG3 PRO 50 2HG PRO 50 -4.153 14.769 -12.965
80 HD2 PRO 50 1HD PRO 50 -5.743 12.742 -12.131
81 HD3 PRO 50 2HD PRO 50 -4.141 12.467 -12.843
82 H GLU 51 H GLU 51 -5.813 14.260 -9.851
83 HA GLU 51 HA GLU 51 -5.679 15.696 -7.423
84 HB2 GLU 51 1HB GLU 51 -7.849 14.775 -9.238
85 HB3 GLU 51 2HB GLU 51 -8.304 15.241 -7.606
86 HG2 GLU 51 1HG GLU 51 -7.625 17.443 -7.910
87 HG3 GLU 51 2HG GLU 51 -6.624 17.041 -9.304
88 H VAL 52 H VAL 52 -6.430 12.366 -8.188
89 HA VAL 52 HA VAL 52 -7.620 11.625 -5.748
90 HB VAL 52 HB VAL 52 -6.991 10.326 -8.124
91 HG11 VAL 52 1HG1 VAL 52 -5.774 8.337 -7.507
92 HG12 VAL 52 2HG1 VAL 52 -4.787 9.756 -7.150
93 HG13 VAL 52 3HG1 VAL 52 -5.617 8.906 -5.845
94 HG21 VAL 52 1HG2 VAL 52 -8.266 9.496 -5.546
95 HG22 VAL 52 2HG2 VAL 52 -9.020 9.843 -7.102
96 HG23 VAL 52 3HG2 VAL 52 -8.107 8.351 -6.878
97 H PHE 53 H PHE 53 -4.291 12.035 -6.707
98 HA PHE 53 HA PHE 53 -3.182 10.661 -4.448
99 HB2 PHE 53 1HB PHE 53 -2.135 11.267 -6.812
100 HB3 PHE 53 2HB PHE 53 -1.612 12.708 -5.947
101 HD1 PHE 53 HD1 PHE 53 -0.554 9.629 -6.971
102 HD2 PHE 53 HD2 PHE 53 -0.680 12.027 -3.457
103 HE1 PHE 53 HE1 PHE 53 1.353 8.376 -6.051
104 HE2 PHE 53 HE2 PHE 53 1.227 10.779 -2.532
105 HZ PHE 53 HZ PHE 53 2.247 8.951 -3.830
106 H ALA 54 H ALA 54 -3.747 14.048 -5.313
107 HA ALA 54 HA ALA 54 -2.618 15.073 -2.887
108 HB1 ALA 54 1HB ALA 54 -4.327 17.010 -3.987
109 HB2 ALA 54 2HB ALA 54 -2.573 16.899 -4.146
110 HB3 ALA 54 3HB ALA 54 -3.617 16.143 -5.350
111 H ALA 55 H ALA 55 -5.627 13.720 -3.748
112 HA ALA 55 HA ALA 55 -7.326 15.112 -1.962
113 HB1 ALA 55 1HB ALA 55 -8.020 13.658 -3.913
114 HB2 ALA 55 2HB ALA 55 -7.715 12.271 -2.867
115 HB3 ALA 55 3HB ALA 55 -8.944 13.456 -2.424
116 H LEU 56 H LEU 56 -5.341 12.211 -1.636
117 HA LEU 56 HA LEU 56 -6.290 11.607 1.005
118 HB2 LEU 56 1HB LEU 56 -4.137 10.552 -0.776
119 HB3 LEU 56 2HB LEU 56 -4.143 10.123 0.934
120 HG LEU 56 HG LEU 56 -6.651 9.690 -0.595
121 HD11 LEU 56 1HD1 LEU 56 -5.847 8.229 -2.055
122 HD12 LEU 56 2HD1 LEU 56 -4.986 7.363 -0.783
123 HD13 LEU 56 3HD1 LEU 56 -4.218 8.726 -1.597
124 HD21 LEU 56 1HD2 LEU 56 -6.888 9.027 1.590
125 HD22 LEU 56 2HD2 LEU 56 -5.209 8.506 1.730
126 HD23 LEU 56 3HD2 LEU 56 -6.368 7.517 0.842
127 HA PRO 57 HA PRO 57 -3.604 14.029 3.489
128 HB2 PRO 57 1HB PRO 57 -2.944 12.316 5.489
129 HB3 PRO 57 2HB PRO 57 -4.553 13.030 5.328
130 HG2 PRO 57 1HG PRO 57 -3.595 10.315 4.509
131 HG3 PRO 57 2HG PRO 57 -5.108 10.772 5.313
132 HD2 PRO 57 1HD PRO 57 -4.968 10.254 2.659
133 HD3 PRO 57 2HD PRO 57 -6.101 11.438 3.342
134 H ALA 58 H ALA 58 -1.504 14.610 3.543
135 HA ALA 58 HA ALA 58 0.433 13.407 1.999
136 HB1 ALA 58 1HB ALA 58 2.062 14.802 3.186
137 HB2 ALA 58 2HB ALA 58 0.604 15.704 2.771
138 HB3 ALA 58 3HB ALA 58 0.855 15.147 4.425
139 H GLU 59 H GLU 59 -0.371 12.816 5.365
140 HA GLU 59 HA GLU 59 1.870 11.390 6.175
141 HB2 GLU 59 1HB GLU 59 -0.386 12.103 7.407
142 HB3 GLU 59 2HB GLU 59 -0.800 10.428 7.070
143 HG2 GLU 59 1HG GLU 59 0.130 10.506 9.245
144 HG3 GLU 59 2HG GLU 59 1.326 9.757 8.189
145 H LEU 60 H LEU 60 -0.978 10.300 4.396
146 HA LEU 60 HA LEU 60 0.005 7.571 4.294
147 HB2 LEU 60 1HB LEU 60 -2.276 7.525 4.470
148 HB3 LEU 60 2HB LEU 60 -2.488 8.979 3.497
149 HG LEU 60 HG LEU 60 -1.524 6.510 2.142
150 HD11 LEU 60 1HD1 LEU 60 -3.312 5.614 3.463
151 HD12 LEU 60 2HD1 LEU 60 -3.881 5.807 1.806
152 HD13 LEU 60 3HD1 LEU 60 -4.363 6.967 3.043
153 HD21 LEU 60 1HD2 LEU 60 -1.868 7.829 0.393
154 HD22 LEU 60 2HD2 LEU 60 -2.528 9.091 1.434
155 HD23 LEU 60 3HD2 LEU 60 -3.590 7.848 0.772
156 H GLN 61 H GLN 61 -0.398 10.336 2.146
157 HA GLN 61 HA GLN 61 0.273 9.043 -0.261
158 HB2 GLN 61 1HB GLN 61 -0.204 11.053 -1.103
159 HB3 GLN 61 2HB GLN 61 -0.408 11.646 0.540
160 HG2 GLN 61 1HG GLN 61 1.836 12.407 0.636
161 HG3 GLN 61 2HG GLN 61 2.245 11.584 -0.869
162 HE21 GLN 61 1HE2 GLN 61 -0.335 14.707 -1.351
163 HE22 GLN 61 2HE2 GLN 61 -0.648 13.464 -0.193
164 H ARG 62 H ARG 62 2.205 10.256 2.358
165 HA ARG 62 HA ARG 62 4.676 10.213 0.868
166 HB2 ARG 62 1HB ARG 62 5.690 11.069 2.770
167 HB3 ARG 62 2HB ARG 62 4.052 11.691 2.915
168 HG2 ARG 62 1HG ARG 62 3.651 9.540 4.323
169 HG3 ARG 62 2HG ARG 62 5.409 9.547 4.480
170 HD2 ARG 62 1HD ARG 62 5.318 11.824 5.371
171 HD3 ARG 62 2HD ARG 62 3.562 11.818 5.208
172 HE ARG 62 HE ARG 62 3.448 10.679 7.177
173 HH11 ARG 62 1HH1 ARG 62 6.629 10.243 5.830
174 HH12 ARG 62 2HH1 ARG 62 7.232 9.370 7.201
175 HH21 ARG 62 1HH2 ARG 62 4.230 9.532 8.987
176 HH22 ARG 62 2HH2 ARG 62 5.866 8.966 8.995
177 H GLU 63 H GLU 63 2.837 8.030 2.834
178 HA GLU 63 HA GLU 63 4.962 6.235 3.459
179 HB2 GLU 63 1HB GLU 63 3.014 6.196 4.845
180 HB3 GLU 63 2HB GLU 63 1.961 5.925 3.464
181 HG2 GLU 63 1HG GLU 63 2.272 3.720 3.512
182 HG3 GLU 63 2HG GLU 63 4.009 3.876 3.770
183 H LEU 64 H LEU 64 2.815 6.645 0.751
184 HA LEU 64 HA LEU 64 3.436 4.063 -0.395
185 HB2 LEU 64 1HB LEU 64 1.873 4.541 -2.025
186 HB3 LEU 64 2HB LEU 64 1.245 5.399 -0.620
187 HG LEU 64 HG LEU 64 2.650 7.384 -1.752
188 HD11 LEU 64 1HD1 LEU 64 3.413 6.706 -3.748
189 HD12 LEU 64 2HD1 LEU 64 1.751 6.964 -4.279
190 HD13 LEU 64 3HD1 LEU 64 2.292 5.346 -3.830
191 HD21 LEU 64 1HD2 LEU 64 0.050 6.874 -1.249
192 HD22 LEU 64 2HD2 LEU 64 0.020 6.957 -3.011
193 HD23 LEU 64 3HD2 LEU 64 0.627 8.323 -2.073
194 H LYS 65 H LYS 65 4.465 7.388 -0.734
195 HA LYS 65 HA LYS 65 6.013 6.876 -3.118
196 HB2 LYS 65 1HB LYS 65 5.953 9.286 -1.291
197 HB3 LYS 65 2HB LYS 65 6.772 9.207 -2.846
198 HG2 LYS 65 1HG LYS 65 4.798 9.234 -4.039
199 HG3 LYS 65 2HG LYS 65 3.847 8.634 -2.679
200 HD2 LYS 65 1HD LYS 65 3.218 10.788 -2.485
201 HD3 LYS 65 2HD LYS 65 4.769 10.971 -1.663
202 HE2 LYS 65 1HE LYS 65 5.792 11.890 -3.548
203 HE3 LYS 65 2HE LYS 65 4.554 11.269 -4.638
204 HZ1 LYS 65 1HZ LYS 65 4.385 13.566 -2.788
205 HZ2 LYS 65 2HZ LYS 65 2.993 12.822 -3.394
206 HZ3 LYS 65 3HZ LYS 65 4.103 13.532 -4.456
207 H ALA 66 H ALA 66 6.649 7.413 0.324
208 HA ALA 66 HA ALA 66 9.470 7.335 0.137
209 HB1 ALA 66 1HB ALA 66 7.658 6.759 2.477
210 HB2 ALA 66 2HB ALA 66 9.406 6.970 2.578
211 HB3 ALA 66 3HB ALA 66 8.384 8.311 2.060
212 H ALA 67 H ALA 67 7.043 4.847 0.830
213 HA ALA 67 HA ALA 67 8.676 2.731 1.512
214 HB1 ALA 67 1HB ALA 67 6.078 2.782 -0.003
215 HB2 ALA 67 2HB ALA 67 6.866 1.285 0.498
216 HB3 ALA 67 3HB ALA 67 6.339 2.452 1.710
217 H TYR 68 H TYR 68 7.760 3.838 -1.730
218 HA TYR 68 HA TYR 68 9.082 1.771 -3.136
219 HB2 TYR 68 1HB TYR 68 7.721 4.279 -3.786
220 HB3 TYR 68 2HB TYR 68 9.060 3.917 -4.871
221 HD1 TYR 68 HD1 TYR 68 8.335 2.971 -6.838
222 HD2 TYR 68 HD2 TYR 68 6.405 1.865 -3.211
223 HE1 TYR 68 HE1 TYR 68 6.906 1.402 -8.083
224 HE2 TYR 68 HE2 TYR 68 4.972 0.293 -4.446
225 HH TYR 68 HH TYR 68 5.487 -0.378 -7.851
226 H ASP 69 H ASP 69 10.172 4.708 -1.672
227 HA ASP 69 HA ASP 69 12.670 4.781 -3.130
228 HB2 ASP 69 1HB ASP 69 11.356 6.796 -2.159
229 HB3 ASP 69 2HB ASP 69 12.102 6.346 -0.628
230 H GLN 70 H GLN 70 11.511 3.773 0.036
231 HA GLN 70 HA GLN 70 13.885 3.408 1.388
232 HB2 GLN 70 1HB GLN 70 11.362 1.752 1.460
233 HB3 GLN 70 2HB GLN 70 12.684 1.556 2.602
234 HG2 GLN 70 1HG GLN 70 10.849 3.900 2.256
235 HG3 GLN 70 2HG GLN 70 11.110 2.905 3.687
236 HE21 GLN 70 1HE2 GLN 70 13.348 6.165 2.996
237 HE22 GLN 70 2HE2 GLN 70 12.044 5.678 1.974
238 H ARG 71 H ARG 71 12.220 1.058 -0.705
239 HA ARG 71 HA ARG 71 14.554 -0.685 -0.631
240 HB2 ARG 71 1HB ARG 71 13.152 -2.271 -1.872
241 HB3 ARG 71 2HB ARG 71 12.350 -1.714 -0.409
242 HG2 ARG 71 1HG ARG 71 11.486 0.072 -2.319
243 HG3 ARG 71 2HG ARG 71 11.546 -1.464 -3.186
244 HD2 ARG 71 1HD ARG 71 10.415 -2.093 -0.727
245 HD3 ARG 71 2HD ARG 71 9.687 -0.547 -1.165
246 HE ARG 71 HE ARG 71 8.561 -1.591 -2.871
247 HH11 ARG 71 1HH1 ARG 71 11.038 -3.709 -1.646
248 HH12 ARG 71 2HH1 ARG 71 10.487 -5.086 -2.541
249 HH21 ARG 71 1HH2 ARG 71 7.826 -3.397 -4.055
250 HH22 ARG 71 2HH2 ARG 71 8.660 -4.907 -3.912
251 H GLN 72 H GLN 72 15.163 1.695 -1.827
252 HA GLN 72 HA GLN 72 15.588 0.857 -4.605
253 HB2 GLN 72 1HB GLN 72 13.795 2.424 -4.788
254 HB3 GLN 72 2HB GLN 72 14.579 3.546 -3.684
255 HG2 GLN 72 1HG GLN 72 16.246 4.087 -5.288
256 HG3 GLN 72 2HG GLN 72 15.725 2.784 -6.355
257 HE21 GLN 72 1HE2 GLN 72 14.416 6.105 -7.490
258 HE22 GLN 72 2HE2 GLN 72 15.983 5.533 -7.042
Start of MODEL 15
1 H ILE 40 H ILE 40 1.615 -1.562 -1.465
2 HA ILE 40 HA ILE 40 2.892 -1.236 1.168
3 HB ILE 40 HB ILE 40 4.273 0.503 0.172
4 HG12 ILE 40 1HG1 ILE 40 3.942 0.197 -2.582
5 HG13 ILE 40 2HG1 ILE 40 2.301 0.302 -1.954
6 HG21 ILE 40 1HG2 ILE 40 4.924 -1.918 0.061
7 HG22 ILE 40 2HG2 ILE 40 4.348 -1.925 -1.605
8 HG23 ILE 40 3HG2 ILE 40 5.692 -0.882 -1.142
9 HD11 ILE 40 1HD1 ILE 40 3.840 2.308 -0.686
10 HD12 ILE 40 2HD1 ILE 40 4.160 2.384 -2.419
11 HD13 ILE 40 3HD1 ILE 40 2.504 2.494 -1.822
12 H ALA 41 H ALA 41 0.523 0.045 -1.024
13 HA ALA 41 HA ALA 41 -0.845 1.479 0.950
14 HB1 ALA 41 1HB ALA 41 1.370 2.910 -0.229
15 HB2 ALA 41 2HB ALA 41 -0.161 3.736 -0.522
16 HB3 ALA 41 3HB ALA 41 0.334 3.356 1.128
17 H LEU 42 H LEU 42 -0.033 1.249 -2.472
18 HA LEU 42 HA LEU 42 -2.887 1.269 -3.100
19 HB2 LEU 42 1HB LEU 42 -0.834 2.979 -4.496
20 HB3 LEU 42 2HB LEU 42 -2.492 2.739 -5.044
21 HG LEU 42 HG LEU 42 -2.129 3.793 -2.299
22 HD11 LEU 42 1HD1 LEU 42 -1.877 5.672 -4.616
23 HD12 LEU 42 2HD1 LEU 42 -0.452 4.955 -3.866
24 HD13 LEU 42 3HD1 LEU 42 -1.542 5.957 -2.908
25 HD21 LEU 42 1HD2 LEU 42 -4.053 4.051 -4.566
26 HD22 LEU 42 2HD2 LEU 42 -3.997 5.302 -3.324
27 HD23 LEU 42 3HD2 LEU 42 -4.351 3.632 -2.879
28 HA PRO 43 HA PRO 43 -1.879 -2.062 -5.776
29 HB2 PRO 43 1HB PRO 43 -3.767 -1.773 -7.706
30 HB3 PRO 43 2HB PRO 43 -4.139 -2.347 -6.076
31 HG2 PRO 43 1HG PRO 43 -4.462 0.392 -7.240
32 HG3 PRO 43 2HG PRO 43 -5.572 -0.520 -6.200
33 HD2 PRO 43 1HD PRO 43 -3.955 1.432 -5.248
34 HD3 PRO 43 2HD PRO 43 -4.413 0.015 -4.281
35 H ALA 44 H ALA 44 -1.611 1.174 -6.783
36 HA ALA 44 HA ALA 44 0.503 0.682 -8.554
37 HB1 ALA 44 1HB ALA 44 -2.198 0.933 -9.809
38 HB2 ALA 44 2HB ALA 44 -0.771 1.546 -10.646
39 HB3 ALA 44 3HB ALA 44 -0.872 -0.160 -10.208
40 H PHE 45 H PHE 45 0.157 2.407 -6.458
41 HA PHE 45 HA PHE 45 0.333 4.582 -5.801
42 HB2 PHE 45 1HB PHE 45 1.722 4.386 -8.405
43 HB3 PHE 45 2HB PHE 45 1.346 6.018 -7.862
44 HD1 PHE 45 HD1 PHE 45 2.229 3.085 -5.776
45 HD2 PHE 45 HD2 PHE 45 3.453 6.860 -7.316
46 HE1 PHE 45 HE1 PHE 45 4.199 3.043 -4.303
47 HE2 PHE 45 HE2 PHE 45 5.426 6.823 -5.847
48 HZ PHE 45 HZ PHE 45 5.802 4.913 -4.338
49 H SER 46 H SER 46 -2.161 3.707 -7.169
50 HA SER 46 HA SER 46 -4.137 4.589 -7.876
51 HB2 SER 46 1HB SER 46 -3.919 5.963 -5.866
52 HB3 SER 46 2HB SER 46 -2.937 7.132 -6.750
53 HG SER 46 HG SER 46 -4.749 7.551 -8.068
54 H GLN 47 H GLN 47 -2.313 4.263 -9.884
55 HA GLN 47 HA GLN 47 -1.875 6.589 -11.442
56 HB2 GLN 47 1HB GLN 47 -1.451 3.714 -11.713
57 HB3 GLN 47 2HB GLN 47 -1.892 4.481 -13.233
58 HG2 GLN 47 1HG GLN 47 0.088 6.036 -11.836
59 HG3 GLN 47 2HG GLN 47 0.628 4.373 -12.061
60 HE21 GLN 47 1HE2 GLN 47 -0.404 6.350 -15.489
61 HE22 GLN 47 2HE2 GLN 47 -1.426 6.404 -14.097
62 H VAL 48 H VAL 48 -3.944 7.617 -11.429
63 HA VAL 48 HA VAL 48 -5.591 6.792 -13.665
64 HB VAL 48 HB VAL 48 -6.668 5.566 -11.869
65 HG11 VAL 48 1HG1 VAL 48 -5.794 7.112 -10.063
66 HG12 VAL 48 2HG1 VAL 48 -7.149 8.174 -10.450
67 HG13 VAL 48 3HG1 VAL 48 -7.449 6.538 -9.865
68 HG21 VAL 48 1HG2 VAL 48 -7.909 7.285 -13.600
69 HG22 VAL 48 2HG2 VAL 48 -8.720 6.065 -12.617
70 HG23 VAL 48 3HG2 VAL 48 -8.621 7.732 -12.049
71 H ASP 49 H ASP 49 -5.099 9.052 -10.989
72 HA ASP 49 HA ASP 49 -5.271 11.301 -12.751
73 HB2 ASP 49 1HB ASP 49 -7.684 10.421 -11.547
74 HB3 ASP 49 2HB ASP 49 -7.205 11.904 -10.726
75 HA PRO 50 HA PRO 50 -2.662 13.015 -9.663
76 HB2 PRO 50 1HB PRO 50 -3.051 15.666 -10.099
77 HB3 PRO 50 2HB PRO 50 -2.128 14.636 -11.200
78 HG2 PRO 50 1HG PRO 50 -4.967 15.562 -11.406
79 HG3 PRO 50 2HG PRO 50 -3.726 15.470 -12.669
80 HD2 PRO 50 1HD PRO 50 -5.664 13.600 -12.391
81 HD3 PRO 50 2HD PRO 50 -4.038 13.208 -12.986
82 H GLU 51 H GLU 51 -5.886 14.512 -9.873
83 HA GLU 51 HA GLU 51 -5.962 15.745 -7.396
84 HB2 GLU 51 1HB GLU 51 -8.079 14.575 -9.166
85 HB3 GLU 51 2HB GLU 51 -8.513 15.195 -7.579
86 HG2 GLU 51 1HG GLU 51 -7.130 17.288 -8.444
87 HG3 GLU 51 2HG GLU 51 -7.625 16.638 -10.006
88 H VAL 52 H VAL 52 -6.253 12.377 -8.204
89 HA VAL 52 HA VAL 52 -7.468 11.466 -5.823
90 HB VAL 52 HB VAL 52 -5.524 9.879 -7.492
91 HG11 VAL 52 1HG1 VAL 52 -7.802 9.178 -5.661
92 HG12 VAL 52 2HG1 VAL 52 -7.134 8.032 -6.825
93 HG13 VAL 52 3HG1 VAL 52 -6.112 8.688 -5.546
94 HG21 VAL 52 1HG2 VAL 52 -7.005 10.772 -9.092
95 HG22 VAL 52 2HG2 VAL 52 -7.616 9.156 -8.739
96 HG23 VAL 52 3HG2 VAL 52 -8.400 10.568 -8.032
97 H PHE 53 H PHE 53 -4.058 11.699 -6.798
98 HA PHE 53 HA PHE 53 -2.956 10.628 -4.452
99 HB2 PHE 53 1HB PHE 53 -1.913 11.366 -6.812
100 HB3 PHE 53 2HB PHE 53 -1.453 12.771 -5.856
101 HD1 PHE 53 HD1 PHE 53 -0.169 12.357 -3.691
102 HD2 PHE 53 HD2 PHE 53 -0.665 9.409 -6.721
103 HE1 PHE 53 HE1 PHE 53 1.757 11.116 -2.794
104 HE2 PHE 53 HE2 PHE 53 1.259 8.163 -5.828
105 HZ PHE 53 HZ PHE 53 2.472 9.015 -3.862
106 H ALA 54 H ALA 54 -4.022 13.867 -5.266
107 HA ALA 54 HA ALA 54 -2.938 15.024 -2.847
108 HB1 ALA 54 1HB ALA 54 -4.816 16.776 -4.024
109 HB2 ALA 54 2HB ALA 54 -3.055 16.872 -4.066
110 HB3 ALA 54 3HB ALA 54 -3.921 16.006 -5.335
111 H ALA 55 H ALA 55 -5.770 13.375 -3.754
112 HA ALA 55 HA ALA 55 -7.626 14.616 -1.998
113 HB1 ALA 55 1HB ALA 55 -9.108 12.889 -2.556
114 HB2 ALA 55 2HB ALA 55 -8.122 13.114 -4.001
115 HB3 ALA 55 3HB ALA 55 -7.799 11.763 -2.915
116 H LEU 56 H LEU 56 -5.243 12.089 -1.625
117 HA LEU 56 HA LEU 56 -6.241 11.311 0.985
118 HB2 LEU 56 1HB LEU 56 -3.574 10.419 0.084
119 HB3 LEU 56 2HB LEU 56 -4.878 9.508 0.843
120 HG LEU 56 HG LEU 56 -4.727 10.298 -2.066
121 HD11 LEU 56 1HD1 LEU 56 -4.542 7.561 -0.826
122 HD12 LEU 56 2HD1 LEU 56 -3.142 8.519 -1.310
123 HD13 LEU 56 3HD1 LEU 56 -4.315 7.996 -2.520
124 HD21 LEU 56 1HD2 LEU 56 -6.936 10.027 -2.048
125 HD22 LEU 56 2HD2 LEU 56 -6.923 9.430 -0.388
126 HD23 LEU 56 3HD2 LEU 56 -6.636 8.319 -1.728
127 HA PRO 57 HA PRO 57 -3.725 13.906 3.472
128 HB2 PRO 57 1HB PRO 57 -2.977 12.242 5.483
129 HB3 PRO 57 2HB PRO 57 -4.625 12.859 5.309
130 HG2 PRO 57 1HG PRO 57 -3.502 10.202 4.507
131 HG3 PRO 57 2HG PRO 57 -5.045 10.572 5.300
132 HD2 PRO 57 1HD PRO 57 -4.856 10.054 2.648
133 HD3 PRO 57 2HD PRO 57 -6.063 11.170 3.320
134 H ALA 58 H ALA 58 -1.667 14.615 3.515
135 HA ALA 58 HA ALA 58 0.348 13.517 1.995
136 HB1 ALA 58 1HB ALA 58 0.987 15.612 2.453
137 HB2 ALA 58 2HB ALA 58 0.159 15.625 4.011
138 HB3 ALA 58 3HB ALA 58 1.764 14.908 3.872
139 H GLU 59 H GLU 59 -0.367 12.979 5.404
140 HA GLU 59 HA GLU 59 1.946 11.649 6.176
141 HB2 GLU 59 1HB GLU 59 0.197 12.327 7.752
142 HB3 GLU 59 2HB GLU 59 -0.894 11.128 7.071
143 HG2 GLU 59 1HG GLU 59 -0.111 10.113 8.995
144 HG3 GLU 59 2HG GLU 59 0.899 9.416 7.729
145 H LEU 60 H LEU 60 -0.839 10.487 4.386
146 HA LEU 60 HA LEU 60 0.109 7.744 4.425
147 HB2 LEU 60 1HB LEU 60 -2.196 7.805 4.508
148 HB3 LEU 60 2HB LEU 60 -2.304 9.149 3.373
149 HG LEU 60 HG LEU 60 -1.249 6.652 2.234
150 HD11 LEU 60 1HD1 LEU 60 -4.064 6.832 3.286
151 HD12 LEU 60 2HD1 LEU 60 -2.848 5.611 3.658
152 HD13 LEU 60 3HD1 LEU 60 -3.551 5.691 2.043
153 HD21 LEU 60 1HD2 LEU 60 -2.483 9.048 1.386
154 HD22 LEU 60 2HD2 LEU 60 -3.555 7.720 0.942
155 HD23 LEU 60 3HD2 LEU 60 -1.878 7.720 0.395
156 H GLN 61 H GLN 61 -0.239 10.397 2.110
157 HA GLN 61 HA GLN 61 0.593 9.005 -0.180
158 HB2 GLN 61 1HB GLN 61 0.358 10.990 -1.221
159 HB3 GLN 61 2HB GLN 61 -0.319 11.523 0.312
160 HG2 GLN 61 1HG GLN 61 1.693 12.552 0.963
161 HG3 GLN 61 2HG GLN 61 2.607 11.744 -0.310
162 HE21 GLN 61 1HE2 GLN 61 -0.008 14.550 -1.698
163 HE22 GLN 61 2HE2 GLN 61 -0.527 13.304 -0.621
164 H ARG 62 H ARG 62 2.385 10.507 2.418
165 HA ARG 62 HA ARG 62 4.919 10.431 1.090
166 HB2 ARG 62 1HB ARG 62 5.798 11.361 3.010
167 HB3 ARG 62 2HB ARG 62 4.121 11.879 3.122
168 HG2 ARG 62 1HG ARG 62 3.748 9.807 4.554
169 HG3 ARG 62 2HG ARG 62 5.507 9.701 4.645
170 HD2 ARG 62 1HD ARG 62 5.557 12.012 5.529
171 HD3 ARG 62 2HD ARG 62 3.794 12.023 5.522
172 HE ARG 62 HE ARG 62 3.805 10.726 7.415
173 HH11 ARG 62 1HH1 ARG 62 6.992 10.762 6.014
174 HH12 ARG 62 2HH1 ARG 62 7.737 9.978 7.367
175 HH21 ARG 62 1HH2 ARG 62 4.775 9.693 9.202
176 HH22 ARG 62 2HH2 ARG 62 6.475 9.369 9.180
177 H GLU 63 H GLU 63 3.000 8.155 2.795
178 HA GLU 63 HA GLU 63 5.203 6.421 3.500
179 HB2 GLU 63 1HB GLU 63 3.322 6.420 4.984
180 HB3 GLU 63 2HB GLU 63 2.207 6.098 3.663
181 HG2 GLU 63 1HG GLU 63 2.679 3.885 3.612
182 HG3 GLU 63 2HG GLU 63 4.351 4.115 4.119
183 H LEU 64 H LEU 64 3.020 6.851 0.855
184 HA LEU 64 HA LEU 64 3.508 4.221 -0.258
185 HB2 LEU 64 1HB LEU 64 1.883 4.697 -1.805
186 HB3 LEU 64 2HB LEU 64 1.363 5.680 -0.437
187 HG LEU 64 HG LEU 64 2.762 7.538 -1.697
188 HD11 LEU 64 1HD1 LEU 64 3.612 6.678 -3.597
189 HD12 LEU 64 2HD1 LEU 64 1.997 7.009 -4.223
190 HD13 LEU 64 3HD1 LEU 64 2.415 5.385 -3.677
191 HD21 LEU 64 1HD2 LEU 64 0.757 8.463 -2.082
192 HD22 LEU 64 2HD2 LEU 64 0.119 7.017 -1.299
193 HD23 LEU 64 3HD2 LEU 64 0.205 7.102 -3.060
194 H LYS 65 H LYS 65 4.545 7.539 -0.774
195 HA LYS 65 HA LYS 65 6.073 6.873 -3.135
196 HB2 LYS 65 1HB LYS 65 6.797 9.225 -3.053
197 HB3 LYS 65 2HB LYS 65 5.047 9.074 -2.970
198 HG2 LYS 65 1HG LYS 65 5.418 9.189 -0.403
199 HG3 LYS 65 2HG LYS 65 6.979 9.886 -0.845
200 HD2 LYS 65 1HD LYS 65 5.393 11.349 -2.427
201 HD3 LYS 65 2HD LYS 65 4.247 10.994 -1.132
202 HE2 LYS 65 1HE LYS 65 6.269 11.713 0.394
203 HE3 LYS 65 2HE LYS 65 6.777 12.567 -1.063
204 HZ1 LYS 65 1HZ LYS 65 4.169 13.222 -0.879
205 HZ2 LYS 65 2HZ LYS 65 5.446 14.176 -0.313
206 HZ3 LYS 65 3HZ LYS 65 4.618 13.154 0.751
207 H ALA 66 H ALA 66 6.583 7.042 0.275
208 HA ALA 66 HA ALA 66 9.458 7.228 0.104
209 HB1 ALA 66 1HB ALA 66 8.368 8.212 2.011
210 HB2 ALA 66 2HB ALA 66 7.630 6.666 2.434
211 HB3 ALA 66 3HB ALA 66 9.378 6.871 2.553
212 H ALA 67 H ALA 67 7.081 4.710 0.892
213 HA ALA 67 HA ALA 67 8.802 2.640 1.539
214 HB1 ALA 67 1HB ALA 67 6.125 2.563 0.161
215 HB2 ALA 67 2HB ALA 67 6.968 1.130 0.752
216 HB3 ALA 67 3HB ALA 67 6.457 2.383 1.884
217 H TYR 68 H TYR 68 7.850 3.851 -1.621
218 HA TYR 68 HA TYR 68 8.937 1.720 -3.140
219 HB2 TYR 68 1HB TYR 68 7.813 4.382 -3.670
220 HB3 TYR 68 2HB TYR 68 9.038 3.877 -4.829
221 HD1 TYR 68 HD1 TYR 68 6.713 1.600 -3.074
222 HD2 TYR 68 HD2 TYR 68 7.636 3.583 -6.723
223 HE1 TYR 68 HE1 TYR 68 5.037 0.226 -4.237
224 HE2 TYR 68 HE2 TYR 68 5.963 2.215 -7.896
225 HH TYR 68 HH TYR 68 4.871 -0.445 -7.092
226 H ASP 69 H ASP 69 10.313 4.504 -1.620
227 HA ASP 69 HA ASP 69 12.795 4.307 -3.130
228 HB2 ASP 69 1HB ASP 69 11.680 6.503 -2.350
229 HB3 ASP 69 2HB ASP 69 12.336 6.107 -0.764
230 H GLN 70 H GLN 70 11.585 3.756 0.142
231 HA GLN 70 HA GLN 70 13.954 3.221 1.463
232 HB2 GLN 70 1HB GLN 70 11.235 1.956 1.820
233 HB3 GLN 70 2HB GLN 70 12.570 1.741 2.944
234 HG2 GLN 70 1HG GLN 70 11.036 4.240 2.324
235 HG3 GLN 70 2HG GLN 70 11.225 3.417 3.872
236 HE21 GLN 70 1HE2 GLN 70 13.808 6.255 2.720
237 HE22 GLN 70 2HE2 GLN 70 12.395 5.830 1.822
238 H ARG 71 H ARG 71 11.873 0.922 -0.286
239 HA ARG 71 HA ARG 71 13.442 -1.355 0.133
240 HB2 ARG 71 1HB ARG 71 12.297 -2.230 -1.934
241 HB3 ARG 71 2HB ARG 71 11.220 -1.633 -0.678
242 HG2 ARG 71 1HG ARG 71 10.320 -0.807 -2.661
243 HG3 ARG 71 2HG ARG 71 11.201 0.562 -1.980
244 HD2 ARG 71 1HD ARG 71 12.654 0.623 -3.686
245 HD3 ARG 71 2HD ARG 71 12.818 -1.132 -3.728
246 HE ARG 71 HE ARG 71 10.313 -0.218 -4.773
247 HH11 ARG 71 1HH1 ARG 71 13.668 -0.772 -5.520
248 HH12 ARG 71 2HH1 ARG 71 13.392 -0.967 -7.219
249 HH21 ARG 71 1HH2 ARG 71 9.937 -0.473 -7.008
250 HH22 ARG 71 2HH2 ARG 71 11.270 -0.796 -8.065
251 H GLN 72 H GLN 72 13.963 1.372 -1.871
252 HA GLN 72 HA GLN 72 15.728 0.046 -3.727
253 HB2 GLN 72 1HB GLN 72 14.275 2.256 -3.988
254 HB3 GLN 72 2HB GLN 72 15.749 3.006 -3.391
255 HG2 GLN 72 1HG GLN 72 16.591 1.241 -5.372
256 HG3 GLN 72 2HG GLN 72 15.132 1.994 -6.013
257 HE21 GLN 72 1HE2 GLN 72 16.610 5.060 -6.633
258 HE22 GLN 72 2HE2 GLN 72 15.203 4.059 -6.691
Start of MODEL 16
1 H ILE 40 H ILE 40 2.823 -0.147 -4.430
2 HA ILE 40 HA ILE 40 3.546 -1.995 -2.265
3 HB ILE 40 HB ILE 40 4.015 -0.078 -0.900
4 HG12 ILE 40 1HG1 ILE 40 3.813 2.129 -2.627
5 HG13 ILE 40 2HG1 ILE 40 2.295 1.256 -2.802
6 HG21 ILE 40 1HG2 ILE 40 5.171 -0.025 -3.662
7 HG22 ILE 40 2HG2 ILE 40 5.703 1.119 -2.431
8 HG23 ILE 40 3HG2 ILE 40 5.893 -0.614 -2.165
9 HD11 ILE 40 1HD1 ILE 40 1.993 1.339 -0.368
10 HD12 ILE 40 2HD1 ILE 40 3.485 2.270 -0.232
11 HD13 ILE 40 3HD1 ILE 40 2.101 2.943 -1.093
12 H ALA 41 H ALA 41 0.916 -0.289 -3.631
13 HA ALA 41 HA ALA 41 -0.949 -1.466 -1.839
14 HB1 ALA 41 1HB ALA 41 -1.862 0.862 -1.120
15 HB2 ALA 41 2HB ALA 41 -0.520 0.136 -0.235
16 HB3 ALA 41 3HB ALA 41 -0.210 1.399 -1.426
17 H LEU 42 H LEU 42 -0.324 1.086 -4.201
18 HA LEU 42 HA LEU 42 -2.695 0.234 -5.679
19 HB2 LEU 42 1HB LEU 42 -3.496 2.476 -5.997
20 HB3 LEU 42 2HB LEU 42 -3.389 2.129 -4.272
21 HG LEU 42 HG LEU 42 -1.134 3.560 -5.601
22 HD11 LEU 42 1HD1 LEU 42 -3.868 4.635 -5.121
23 HD12 LEU 42 2HD1 LEU 42 -2.726 4.989 -6.416
24 HD13 LEU 42 3HD1 LEU 42 -2.475 5.671 -4.810
25 HD21 LEU 42 1HD2 LEU 42 -2.286 3.268 -2.870
26 HD22 LEU 42 2HD2 LEU 42 -1.399 4.739 -3.268
27 HD23 LEU 42 3HD2 LEU 42 -0.609 3.168 -3.405
28 HA PRO 43 HA PRO 43 -0.068 0.653 -9.174
29 HB2 PRO 43 1HB PRO 43 -1.899 1.153 -11.115
30 HB3 PRO 43 2HB PRO 43 -1.700 -0.436 -10.369
31 HG2 PRO 43 1HG PRO 43 -3.727 1.689 -9.788
32 HG3 PRO 43 2HG PRO 43 -3.954 -0.063 -9.935
33 HD2 PRO 43 1HD PRO 43 -3.788 1.188 -7.540
34 HD3 PRO 43 2HD PRO 43 -3.200 -0.467 -7.795
35 H ALA 44 H ALA 44 0.351 2.864 -7.812
36 HA ALA 44 HA ALA 44 -0.457 5.198 -9.350
37 HB1 ALA 44 1HB ALA 44 0.566 6.503 -7.610
38 HB2 ALA 44 2HB ALA 44 -0.430 5.249 -6.871
39 HB3 ALA 44 3HB ALA 44 1.323 5.067 -6.922
40 H PHE 45 H PHE 45 1.728 6.836 -9.123
41 HA PHE 45 HA PHE 45 3.594 7.454 -10.269
42 HB2 PHE 45 1HB PHE 45 4.538 4.608 -9.952
43 HB3 PHE 45 2HB PHE 45 5.511 6.072 -10.041
44 HD1 PHE 45 HD1 PHE 45 5.931 7.397 -8.113
45 HD2 PHE 45 HD2 PHE 45 3.258 4.090 -7.914
46 HE1 PHE 45 HE1 PHE 45 5.946 7.536 -5.656
47 HE2 PHE 45 HE2 PHE 45 3.269 4.225 -5.458
48 HZ PHE 45 HZ PHE 45 4.613 5.949 -4.326
49 H SER 46 H SER 46 1.302 6.180 -11.708
50 HA SER 46 HA SER 46 2.753 5.361 -14.139
51 HB2 SER 46 1HB SER 46 0.485 4.157 -12.765
52 HB3 SER 46 2HB SER 46 0.127 4.496 -14.458
53 HG SER 46 HG SER 46 1.078 2.547 -14.517
54 H GLN 47 H GLN 47 -0.621 6.308 -13.588
55 HA GLN 47 HA GLN 47 -0.497 8.911 -14.554
56 HB2 GLN 47 1HB GLN 47 -1.522 8.461 -16.860
57 HB3 GLN 47 2HB GLN 47 0.210 8.213 -16.679
58 HG2 GLN 47 1HG GLN 47 -1.443 5.842 -16.171
59 HG3 GLN 47 2HG GLN 47 -1.486 6.450 -17.825
60 HE21 GLN 47 1HE2 GLN 47 2.128 6.020 -18.170
61 HE22 GLN 47 2HE2 GLN 47 0.971 7.293 -18.330
62 H VAL 48 H VAL 48 -1.903 7.322 -12.634
63 HA VAL 48 HA VAL 48 -4.562 6.787 -13.386
64 HB VAL 48 HB VAL 48 -3.498 7.538 -10.659
65 HG11 VAL 48 1HG1 VAL 48 -5.826 7.798 -10.545
66 HG12 VAL 48 2HG1 VAL 48 -6.121 6.394 -11.573
67 HG13 VAL 48 3HG1 VAL 48 -5.527 6.174 -9.926
68 HG21 VAL 48 1HG2 VAL 48 -4.096 4.783 -10.877
69 HG22 VAL 48 2HG2 VAL 48 -3.103 5.217 -12.268
70 HG23 VAL 48 3HG2 VAL 48 -2.523 5.542 -10.634
71 H ASP 49 H ASP 49 -3.558 9.416 -11.205
72 HA ASP 49 HA ASP 49 -4.641 11.537 -12.657
73 HB2 ASP 49 1HB ASP 49 -6.685 9.955 -11.732
74 HB3 ASP 49 2HB ASP 49 -6.553 11.167 -10.461
75 HA PRO 50 HA PRO 50 -2.380 13.599 -9.492
76 HB2 PRO 50 1HB PRO 50 -3.212 16.139 -9.972
77 HB3 PRO 50 2HB PRO 50 -2.075 15.286 -11.023
78 HG2 PRO 50 1HG PRO 50 -5.022 15.694 -11.356
79 HG3 PRO 50 2HG PRO 50 -3.732 15.819 -12.566
80 HD2 PRO 50 1HD PRO 50 -5.318 13.636 -12.349
81 HD3 PRO 50 2HD PRO 50 -3.624 13.537 -12.871
82 H GLU 51 H GLU 51 -5.837 13.711 -9.699
83 HA GLU 51 HA GLU 51 -6.225 15.156 -7.242
84 HB2 GLU 51 1HB GLU 51 -7.842 14.343 -9.424
85 HB3 GLU 51 2HB GLU 51 -8.532 13.625 -7.976
86 HG2 GLU 51 1HG GLU 51 -8.051 16.533 -8.542
87 HG3 GLU 51 2HG GLU 51 -9.592 15.713 -8.292
88 H VAL 52 H VAL 52 -5.585 11.915 -8.110
89 HA VAL 52 HA VAL 52 -6.840 10.624 -5.901
90 HB VAL 52 HB VAL 52 -4.456 9.547 -7.391
91 HG11 VAL 52 1HG1 VAL 52 -5.984 7.436 -7.034
92 HG12 VAL 52 2HG1 VAL 52 -4.940 8.030 -5.740
93 HG13 VAL 52 3HG1 VAL 52 -6.661 8.419 -5.736
94 HG21 VAL 52 1HG2 VAL 52 -6.628 8.500 -8.681
95 HG22 VAL 52 2HG2 VAL 52 -7.126 10.171 -8.412
96 HG23 VAL 52 3HG2 VAL 52 -5.630 9.825 -9.281
97 H PHE 53 H PHE 53 -3.442 11.457 -6.587
98 HA PHE 53 HA PHE 53 -2.415 10.619 -4.114
99 HB2 PHE 53 1HB PHE 53 -1.350 11.619 -6.451
100 HB3 PHE 53 2HB PHE 53 -1.020 12.906 -5.296
101 HD1 PHE 53 HD1 PHE 53 -0.328 9.441 -6.221
102 HD2 PHE 53 HD2 PHE 53 0.481 12.556 -3.436
103 HE1 PHE 53 HE1 PHE 53 1.606 8.178 -5.375
104 HE2 PHE 53 HE2 PHE 53 2.417 11.298 -2.585
105 HZ PHE 53 HZ PHE 53 2.982 9.106 -3.556
106 H ALA 54 H ALA 54 -3.827 13.660 -5.156
107 HA ALA 54 HA ALA 54 -3.163 15.025 -2.700
108 HB1 ALA 54 1HB ALA 54 -5.217 16.118 -4.538
109 HB2 ALA 54 2HB ALA 54 -3.888 16.929 -3.710
110 HB3 ALA 54 3HB ALA 54 -3.570 15.963 -5.151
111 H ALA 55 H ALA 55 -5.658 12.975 -3.803
112 HA ALA 55 HA ALA 55 -7.813 13.959 -2.247
113 HB1 ALA 55 1HB ALA 55 -8.263 11.245 -2.546
114 HB2 ALA 55 2HB ALA 55 -8.802 12.525 -3.634
115 HB3 ALA 55 3HB ALA 55 -7.289 11.676 -3.953
116 H LEU 56 H LEU 56 -5.139 11.806 -1.578
117 HA LEU 56 HA LEU 56 -6.242 11.089 1.027
118 HB2 LEU 56 1HB LEU 56 -3.518 10.227 0.360
119 HB3 LEU 56 2HB LEU 56 -4.875 9.305 1.002
120 HG LEU 56 HG LEU 56 -4.497 10.047 -1.898
121 HD11 LEU 56 1HD1 LEU 56 -3.856 7.787 -2.278
122 HD12 LEU 56 2HD1 LEU 56 -4.192 7.346 -0.604
123 HD13 LEU 56 3HD1 LEU 56 -2.838 8.412 -0.980
124 HD21 LEU 56 1HD2 LEU 56 -6.591 9.392 -2.223
125 HD22 LEU 56 2HD2 LEU 56 -6.797 9.277 -0.475
126 HD23 LEU 56 3HD2 LEU 56 -6.280 7.865 -1.398
127 HA PRO 57 HA PRO 57 -3.891 13.917 3.418
128 HB2 PRO 57 1HB PRO 57 -3.074 12.400 5.517
129 HB3 PRO 57 2HB PRO 57 -4.751 12.912 5.297
130 HG2 PRO 57 1HG PRO 57 -3.471 10.288 4.640
131 HG3 PRO 57 2HG PRO 57 -5.041 10.607 5.399
132 HD2 PRO 57 1HD PRO 57 -4.791 9.970 2.779
133 HD3 PRO 57 2HD PRO 57 -6.067 11.048 3.382
134 H ALA 58 H ALA 58 -1.862 14.730 3.536
135 HA ALA 58 HA ALA 58 0.226 13.745 2.048
136 HB1 ALA 58 1HB ALA 58 0.055 15.704 4.283
137 HB2 ALA 58 2HB ALA 58 1.648 15.194 3.721
138 HB3 ALA 58 3HB ALA 58 0.516 15.948 2.598
139 H GLU 59 H GLU 59 -0.263 13.374 5.553
140 HA GLU 59 HA GLU 59 2.038 12.022 6.220
141 HB2 GLU 59 1HB GLU 59 0.481 12.709 7.921
142 HB3 GLU 59 2HB GLU 59 -0.766 11.651 7.276
143 HG2 GLU 59 1HG GLU 59 0.159 10.678 9.262
144 HG3 GLU 59 2HG GLU 59 0.615 9.702 7.867
145 H LEU 60 H LEU 60 -0.774 10.839 4.522
146 HA LEU 60 HA LEU 60 0.109 8.078 4.661
147 HB2 LEU 60 1HB LEU 60 -2.237 8.397 4.777
148 HB3 LEU 60 2HB LEU 60 -2.232 9.443 3.358
149 HG LEU 60 HG LEU 60 -1.353 6.624 3.011
150 HD11 LEU 60 1HD1 LEU 60 -4.154 7.492 3.623
151 HD12 LEU 60 2HD1 LEU 60 -3.254 6.111 4.250
152 HD13 LEU 60 3HD1 LEU 60 -3.832 6.104 2.583
153 HD21 LEU 60 1HD2 LEU 60 -2.584 8.802 1.406
154 HD22 LEU 60 2HD2 LEU 60 -2.914 7.132 0.944
155 HD23 LEU 60 3HD2 LEU 60 -1.251 7.717 1.009
156 H GLN 61 H GLN 61 -0.231 10.629 2.225
157 HA GLN 61 HA GLN 61 0.590 9.143 -0.000
158 HB2 GLN 61 1HB GLN 61 0.509 11.110 -1.140
159 HB3 GLN 61 2HB GLN 61 -0.343 11.631 0.307
160 HG2 GLN 61 1HG GLN 61 1.586 12.702 1.166
161 HG3 GLN 61 2HG GLN 61 2.620 11.964 -0.057
162 HE21 GLN 61 1HE2 GLN 61 -0.005 14.701 -1.560
163 HE22 GLN 61 2HE2 GLN 61 -0.547 13.410 -0.548
164 H ARG 62 H ARG 62 2.416 10.732 2.525
165 HA ARG 62 HA ARG 62 4.943 10.634 1.229
166 HB2 ARG 62 1HB ARG 62 5.861 11.354 3.268
167 HB3 ARG 62 2HB ARG 62 4.254 12.068 3.234
168 HG2 ARG 62 1HG ARG 62 4.130 11.264 5.322
169 HG3 ARG 62 2HG ARG 62 3.729 9.750 4.509
170 HD2 ARG 62 1HD ARG 62 5.916 8.923 4.740
171 HD3 ARG 62 2HD ARG 62 6.566 10.517 5.123
172 HE ARG 62 HE ARG 62 4.681 9.775 7.077
173 HH11 ARG 62 1HH1 ARG 62 7.883 8.975 5.972
174 HH12 ARG 62 2HH1 ARG 62 8.426 8.436 7.526
175 HH21 ARG 62 1HH2 ARG 62 5.383 9.067 9.129
176 HH22 ARG 62 2HH2 ARG 62 7.003 8.488 9.321
177 H GLU 63 H GLU 63 3.058 8.337 3.010
178 HA GLU 63 HA GLU 63 5.276 6.551 3.505
179 HB2 GLU 63 1HB GLU 63 3.521 6.555 5.136
180 HB3 GLU 63 2HB GLU 63 2.297 6.282 3.904
181 HG2 GLU 63 1HG GLU 63 2.879 4.054 3.636
182 HG3 GLU 63 2HG GLU 63 4.470 4.281 4.358
183 H LEU 64 H LEU 64 2.936 7.088 1.031
184 HA LEU 64 HA LEU 64 3.239 4.460 -0.148
185 HB2 LEU 64 1HB LEU 64 1.474 4.983 -1.458
186 HB3 LEU 64 2HB LEU 64 1.197 6.164 -0.179
187 HG LEU 64 HG LEU 64 2.607 7.731 -1.736
188 HD11 LEU 64 1HD1 LEU 64 2.920 7.142 -3.874
189 HD12 LEU 64 2HD1 LEU 64 1.356 6.335 -3.987
190 HD13 LEU 64 3HD1 LEU 64 2.732 5.494 -3.275
191 HD21 LEU 64 1HD2 LEU 64 0.030 7.456 -3.011
192 HD22 LEU 64 2HD2 LEU 64 0.646 8.750 -1.982
193 HD23 LEU 64 3HD2 LEU 64 -0.103 7.327 -1.257
194 H LYS 65 H LYS 65 4.422 7.725 -0.653
195 HA LYS 65 HA LYS 65 5.763 7.031 -3.123
196 HB2 LYS 65 1HB LYS 65 6.591 9.348 -3.061
197 HB3 LYS 65 2HB LYS 65 4.844 9.272 -2.871
198 HG2 LYS 65 1HG LYS 65 5.417 9.316 -0.321
199 HG3 LYS 65 2HG LYS 65 6.938 10.010 -0.886
200 HD2 LYS 65 1HD LYS 65 5.221 11.497 -2.309
201 HD3 LYS 65 2HD LYS 65 4.203 11.139 -0.913
202 HE2 LYS 65 1HE LYS 65 6.319 11.844 0.445
203 HE3 LYS 65 2HE LYS 65 6.775 12.654 -1.053
204 HZ1 LYS 65 1HZ LYS 65 5.538 14.326 -0.296
205 HZ2 LYS 65 2HZ LYS 65 4.777 13.375 0.877
206 HZ3 LYS 65 3HZ LYS 65 4.191 13.391 -0.709
207 H ALA 66 H ALA 66 6.499 7.223 0.261
208 HA ALA 66 HA ALA 66 9.354 7.267 -0.075
209 HB1 ALA 66 1HB ALA 66 8.377 8.248 1.907
210 HB2 ALA 66 2HB ALA 66 7.660 6.700 2.354
211 HB3 ALA 66 3HB ALA 66 9.413 6.894 2.361
212 H ALA 67 H ALA 67 6.952 4.818 0.856
213 HA ALA 67 HA ALA 67 8.603 2.677 1.372
214 HB1 ALA 67 1HB ALA 67 6.665 1.275 0.466
215 HB2 ALA 67 2HB ALA 67 6.326 2.370 1.807
216 HB3 ALA 67 3HB ALA 67 5.860 2.815 0.165
217 H TYR 68 H TYR 68 7.427 3.814 -1.771
218 HA TYR 68 HA TYR 68 8.448 1.734 -3.341
219 HB2 TYR 68 1HB TYR 68 7.423 4.445 -3.792
220 HB3 TYR 68 2HB TYR 68 8.607 3.930 -4.988
221 HD1 TYR 68 HD1 TYR 68 5.297 3.237 -3.542
222 HD2 TYR 68 HD2 TYR 68 8.102 2.182 -6.563
223 HE1 TYR 68 HE1 TYR 68 3.551 1.956 -4.707
224 HE2 TYR 68 HE2 TYR 68 6.363 0.899 -7.737
225 HH TYR 68 HH TYR 68 3.146 1.213 -7.168
226 H ASP 69 H ASP 69 9.964 4.595 -2.014
227 HA ASP 69 HA ASP 69 12.390 4.255 -3.546
228 HB2 ASP 69 1HB ASP 69 11.387 6.472 -2.653
229 HB3 ASP 69 2HB ASP 69 12.127 6.013 -1.121
230 H GLN 70 H GLN 70 11.282 3.647 -0.251
231 HA GLN 70 HA GLN 70 13.653 3.020 1.000
232 HB2 GLN 70 1HB GLN 70 10.927 1.765 1.326
233 HB3 GLN 70 2HB GLN 70 12.275 1.454 2.412
234 HG2 GLN 70 1HG GLN 70 10.782 4.016 1.978
235 HG3 GLN 70 2HG GLN 70 10.978 3.093 3.467
236 HE21 GLN 70 1HE2 GLN 70 13.615 5.934 2.433
237 HE22 GLN 70 2HE2 GLN 70 12.191 5.584 1.520
238 H ARG 71 H ARG 71 11.529 0.780 -0.780
239 HA ARG 71 HA ARG 71 13.397 -1.385 -0.581
240 HB2 ARG 71 1HB ARG 71 11.836 -2.521 -2.170
241 HB3 ARG 71 2HB ARG 71 11.063 -1.922 -0.709
242 HG2 ARG 71 1HG ARG 71 10.822 0.178 -2.490
243 HG3 ARG 71 2HG ARG 71 10.559 -1.260 -3.480
244 HD2 ARG 71 1HD ARG 71 9.177 -0.890 -0.841
245 HD3 ARG 71 2HD ARG 71 8.528 -0.197 -2.327
246 HE ARG 71 HE ARG 71 8.893 -2.769 -3.010
247 HH11 ARG 71 1HH1 ARG 71 7.364 -1.272 -0.264
248 HH12 ARG 71 2HH1 ARG 71 6.223 -2.556 -0.035
249 HH21 ARG 71 1HH2 ARG 71 7.397 -4.465 -2.719
250 HH22 ARG 71 2HH2 ARG 71 6.243 -4.372 -1.431
251 H GLN 72 H GLN 72 13.115 1.323 -2.593
252 HA GLN 72 HA GLN 72 14.047 0.321 -5.045
253 HB2 GLN 72 1HB GLN 72 13.066 2.635 -4.504
254 HB3 GLN 72 2HB GLN 72 14.696 3.070 -4.009
255 HG2 GLN 72 1HG GLN 72 15.350 3.361 -6.106
256 HG3 GLN 72 2HG GLN 72 14.684 1.806 -6.604
257 HE21 GLN 72 1HE2 GLN 72 12.850 5.218 -7.579
258 HE22 GLN 72 2HE2 GLN 72 14.401 5.139 -6.822
Start of MODEL 17
1 H ILE 40 H ILE 40 5.948 -2.928 -3.970
2 HA ILE 40 HA ILE 40 5.168 -0.960 -5.866
3 HB ILE 40 HB ILE 40 6.746 0.491 -4.841
4 HG12 ILE 40 1HG1 ILE 40 8.101 -1.141 -2.954
5 HG13 ILE 40 2HG1 ILE 40 8.270 -1.915 -4.525
6 HG21 ILE 40 1HG2 ILE 40 4.738 -0.368 -3.501
7 HG22 ILE 40 2HG2 ILE 40 5.921 -1.284 -2.569
8 HG23 ILE 40 3HG2 ILE 40 6.013 0.476 -2.622
9 HD11 ILE 40 1HD1 ILE 40 8.865 0.577 -5.235
10 HD12 ILE 40 2HD1 ILE 40 9.358 0.646 -3.543
11 HD13 ILE 40 3HD1 ILE 40 10.068 -0.556 -4.620
12 H ALA 41 H ALA 41 7.462 0.315 -6.633
13 HA ALA 41 HA ALA 41 9.076 0.374 -8.238
14 HB1 ALA 41 1HB ALA 41 9.811 -2.386 -8.432
15 HB2 ALA 41 2HB ALA 41 10.728 -1.031 -7.773
16 HB3 ALA 41 3HB ALA 41 9.626 -1.936 -6.737
17 H LEU 42 H LEU 42 6.189 -0.762 -8.659
18 HA LEU 42 HA LEU 42 6.451 -2.287 -11.084
19 HB2 LEU 42 1HB LEU 42 3.909 -0.947 -10.300
20 HB3 LEU 42 2HB LEU 42 4.166 -2.530 -11.032
21 HG LEU 42 HG LEU 42 5.308 -2.788 -8.530
22 HD11 LEU 42 1HD1 LEU 42 4.411 -0.715 -7.735
23 HD12 LEU 42 2HD1 LEU 42 3.500 -2.034 -7.002
24 HD13 LEU 42 3HD1 LEU 42 2.805 -1.122 -8.341
25 HD21 LEU 42 1HD2 LEU 42 2.445 -3.471 -9.116
26 HD22 LEU 42 2HD2 LEU 42 3.623 -4.367 -8.157
27 HD23 LEU 42 3HD2 LEU 42 3.780 -4.305 -9.913
28 HA PRO 43 HA PRO 43 6.548 0.940 -14.057
29 HB2 PRO 43 1HB PRO 43 5.057 -0.120 -16.063
30 HB3 PRO 43 2HB PRO 43 6.680 -0.696 -15.665
31 HG2 PRO 43 1HG PRO 43 4.023 -1.844 -14.902
32 HG3 PRO 43 2HG PRO 43 5.485 -2.680 -15.459
33 HD2 PRO 43 1HD PRO 43 4.784 -2.556 -12.846
34 HD3 PRO 43 2HD PRO 43 6.477 -2.596 -13.380
35 H ALA 44 H ALA 44 4.935 1.872 -12.202
36 HA ALA 44 HA ALA 44 2.643 2.915 -13.711
37 HB1 ALA 44 1HB ALA 44 2.287 2.404 -10.800
38 HB2 ALA 44 2HB ALA 44 1.088 2.460 -12.093
39 HB3 ALA 44 3HB ALA 44 2.138 1.053 -11.924
40 H PHE 45 H PHE 45 1.665 4.455 -11.498
41 HA PHE 45 HA PHE 45 1.921 6.501 -10.541
42 HB2 PHE 45 1HB PHE 45 4.643 5.308 -10.245
43 HB3 PHE 45 2HB PHE 45 4.434 7.019 -9.885
44 HD1 PHE 45 HD1 PHE 45 1.986 4.306 -9.297
45 HD2 PHE 45 HD2 PHE 45 4.747 7.044 -7.566
46 HE1 PHE 45 HE1 PHE 45 1.149 3.728 -7.057
47 HE2 PHE 45 HE2 PHE 45 3.915 6.470 -5.323
48 HZ PHE 45 HZ PHE 45 2.115 4.809 -5.066
49 H SER 46 H SER 46 2.485 5.939 -13.508
50 HA SER 46 HA SER 46 4.108 8.268 -14.191
51 HB2 SER 46 1HB SER 46 4.077 5.857 -15.341
52 HB3 SER 46 2HB SER 46 2.804 6.613 -16.298
53 HG SER 46 HG SER 46 5.515 7.065 -16.300
54 H GLN 47 H GLN 47 0.811 7.053 -14.516
55 HA GLN 47 HA GLN 47 -0.342 9.617 -14.481
56 HB2 GLN 47 1HB GLN 47 0.594 9.799 -16.734
57 HB3 GLN 47 2HB GLN 47 -0.219 8.313 -17.206
58 HG2 GLN 47 1HG GLN 47 -2.377 9.565 -16.521
59 HG3 GLN 47 2HG GLN 47 -1.379 11.011 -16.669
60 HE21 GLN 47 1HE2 GLN 47 -1.876 8.759 -20.056
61 HE22 GLN 47 2HE2 GLN 47 -1.615 7.997 -18.527
62 H VAL 48 H VAL 48 -1.947 8.948 -13.187
63 HA VAL 48 HA VAL 48 -3.860 7.024 -14.289
64 HB VAL 48 HB VAL 48 -2.547 5.656 -12.813
65 HG11 VAL 48 1HG1 VAL 48 -1.626 7.587 -11.499
66 HG12 VAL 48 2HG1 VAL 48 -3.132 7.589 -10.579
67 HG13 VAL 48 3HG1 VAL 48 -2.075 6.177 -10.541
68 HG21 VAL 48 1HG2 VAL 48 -5.173 5.719 -12.749
69 HG22 VAL 48 2HG2 VAL 48 -4.266 4.702 -11.629
70 HG23 VAL 48 3HG2 VAL 48 -4.903 6.256 -11.092
71 H ASP 49 H ASP 49 -3.153 9.367 -11.723
72 HA ASP 49 HA ASP 49 -5.443 10.906 -12.155
73 HB2 ASP 49 1HB ASP 49 -6.199 8.575 -10.971
74 HB3 ASP 49 2HB ASP 49 -5.907 9.586 -9.558
75 HA PRO 50 HA PRO 50 -2.217 12.929 -9.640
76 HB2 PRO 50 1HB PRO 50 -2.545 15.358 -10.807
77 HB3 PRO 50 2HB PRO 50 -1.545 14.081 -11.511
78 HG2 PRO 50 1HG PRO 50 -4.350 14.880 -12.185
79 HG3 PRO 50 2HG PRO 50 -3.013 14.466 -13.273
80 HD2 PRO 50 1HD PRO 50 -4.984 12.715 -12.656
81 HD3 PRO 50 2HD PRO 50 -3.318 12.199 -12.990
82 H GLU 51 H GLU 51 -5.577 13.252 -9.934
83 HA GLU 51 HA GLU 51 -5.761 15.397 -7.961
84 HB2 GLU 51 1HB GLU 51 -8.212 15.223 -8.369
85 HB3 GLU 51 2HB GLU 51 -7.281 15.589 -9.815
86 HG2 GLU 51 1HG GLU 51 -7.433 13.271 -10.524
87 HG3 GLU 51 2HG GLU 51 -8.323 12.869 -9.057
88 H VAL 52 H VAL 52 -6.042 11.961 -8.236
89 HA VAL 52 HA VAL 52 -7.508 11.586 -5.792
90 HB VAL 52 HB VAL 52 -7.083 9.989 -7.944
91 HG11 VAL 52 1HG1 VAL 52 -5.680 8.139 -7.357
92 HG12 VAL 52 2HG1 VAL 52 -4.729 9.618 -7.207
93 HG13 VAL 52 3HG1 VAL 52 -5.359 8.824 -5.764
94 HG21 VAL 52 1HG2 VAL 52 -8.120 8.203 -6.616
95 HG22 VAL 52 2HG2 VAL 52 -7.764 9.101 -5.141
96 HG23 VAL 52 3HG2 VAL 52 -8.888 9.764 -6.328
97 H PHE 53 H PHE 53 -4.152 11.725 -6.744
98 HA PHE 53 HA PHE 53 -3.022 10.525 -4.457
99 HB2 PHE 53 1HB PHE 53 -1.978 11.290 -6.777
100 HB3 PHE 53 2HB PHE 53 -1.578 12.733 -5.851
101 HD1 PHE 53 HD1 PHE 53 -0.534 9.498 -6.757
102 HD2 PHE 53 HD2 PHE 53 -0.393 12.311 -3.566
103 HE1 PHE 53 HE1 PHE 53 1.442 8.354 -5.840
104 HE2 PHE 53 HE2 PHE 53 1.584 11.172 -2.645
105 HZ PHE 53 HZ PHE 53 2.504 9.191 -3.782
106 H ALA 54 H ALA 54 -3.624 13.938 -5.255
107 HA ALA 54 HA ALA 54 -2.676 14.947 -2.777
108 HB1 ALA 54 1HB ALA 54 -4.478 16.170 -4.860
109 HB2 ALA 54 2HB ALA 54 -3.832 17.040 -3.467
110 HB3 ALA 54 3HB ALA 54 -2.736 16.392 -4.687
111 H ALA 55 H ALA 55 -5.577 13.402 -3.695
112 HA ALA 55 HA ALA 55 -7.374 14.604 -1.867
113 HB1 ALA 55 1HB ALA 55 -8.894 13.187 -2.717
114 HB2 ALA 55 2HB ALA 55 -7.639 12.837 -3.907
115 HB3 ALA 55 3HB ALA 55 -7.849 11.780 -2.511
116 H LEU 56 H LEU 56 -5.191 11.837 -1.640
117 HA LEU 56 HA LEU 56 -6.095 10.981 0.920
118 HB2 LEU 56 1HB LEU 56 -3.760 10.384 -0.829
119 HB3 LEU 56 2HB LEU 56 -3.693 9.900 0.864
120 HG LEU 56 HG LEU 56 -6.153 9.074 -0.474
121 HD11 LEU 56 1HD1 LEU 56 -3.561 8.562 -1.750
122 HD12 LEU 56 2HD1 LEU 56 -5.193 8.475 -2.411
123 HD13 LEU 56 3HD1 LEU 56 -4.551 7.129 -1.469
124 HD21 LEU 56 1HD2 LEU 56 -5.667 8.196 1.662
125 HD22 LEU 56 2HD2 LEU 56 -4.019 7.772 1.197
126 HD23 LEU 56 3HD2 LEU 56 -5.383 6.879 0.524
127 HA PRO 57 HA PRO 57 -3.966 13.630 3.694
128 HB2 PRO 57 1HB PRO 57 -3.160 11.914 5.638
129 HB3 PRO 57 2HB PRO 57 -4.848 12.385 5.412
130 HG2 PRO 57 1HG PRO 57 -3.437 9.903 4.512
131 HG3 PRO 57 2HG PRO 57 -5.044 10.074 5.240
132 HD2 PRO 57 1HD PRO 57 -4.678 9.752 2.577
133 HD3 PRO 57 2HD PRO 57 -6.018 10.704 3.248
134 H ALA 58 H ALA 58 -1.960 14.455 4.120
135 HA ALA 58 HA ALA 58 0.215 13.778 2.568
136 HB1 ALA 58 1HB ALA 58 1.405 15.389 3.709
137 HB2 ALA 58 2HB ALA 58 -0.259 15.875 4.037
138 HB3 ALA 58 3HB ALA 58 0.660 14.994 5.258
139 H GLU 59 H GLU 59 -0.563 12.713 5.851
140 HA GLU 59 HA GLU 59 1.780 11.430 6.537
141 HB2 GLU 59 1HB GLU 59 -0.562 11.712 7.768
142 HB3 GLU 59 2HB GLU 59 -0.788 10.067 7.191
143 HG2 GLU 59 1HG GLU 59 0.078 9.951 9.396
144 HG3 GLU 59 2HG GLU 59 1.360 9.458 8.291
145 H LEU 60 H LEU 60 -0.943 10.152 4.657
146 HA LEU 60 HA LEU 60 0.363 7.619 4.225
147 HB2 LEU 60 1HB LEU 60 -2.117 8.809 2.993
148 HB3 LEU 60 2HB LEU 60 -1.565 7.153 2.756
149 HG LEU 60 HG LEU 60 -2.349 8.301 5.431
150 HD11 LEU 60 1HD1 LEU 60 -4.025 6.376 3.881
151 HD12 LEU 60 2HD1 LEU 60 -4.156 8.107 3.572
152 HD13 LEU 60 3HD1 LEU 60 -4.485 7.473 5.184
153 HD21 LEU 60 1HD2 LEU 60 -0.798 6.168 4.989
154 HD22 LEU 60 2HD2 LEU 60 -2.380 5.404 4.835
155 HD23 LEU 60 3HD2 LEU 60 -1.953 6.256 6.320
156 H GLN 61 H GLN 61 -0.273 10.547 2.354
157 HA GLN 61 HA GLN 61 0.557 9.713 -0.152
158 HB2 GLN 61 1HB GLN 61 -0.295 11.818 -0.293
159 HB3 GLN 61 2HB GLN 61 0.384 12.312 1.252
160 HG2 GLN 61 1HG GLN 61 2.299 13.069 0.329
161 HG3 GLN 61 2HG GLN 61 2.306 11.840 -0.935
162 HE21 GLN 61 1HE2 GLN 61 -0.296 14.902 -1.637
163 HE22 GLN 61 2HE2 GLN 61 -0.311 14.047 -0.136
164 H ARG 62 H ARG 62 2.473 10.732 2.616
165 HA ARG 62 HA ARG 62 4.955 10.650 1.142
166 HB2 ARG 62 1HB ARG 62 6.012 11.263 3.206
167 HB3 ARG 62 2HB ARG 62 4.546 12.221 3.043
168 HG2 ARG 62 1HG ARG 62 3.398 10.862 4.637
169 HG3 ARG 62 2HG ARG 62 4.732 9.708 4.686
170 HD2 ARG 62 1HD ARG 62 5.711 10.881 6.295
171 HD3 ARG 62 2HD ARG 62 5.760 12.300 5.250
172 HE ARG 62 HE ARG 62 3.894 11.772 7.382
173 HH11 ARG 62 1HH1 ARG 62 4.503 13.563 4.459
174 HH12 ARG 62 2HH1 ARG 62 3.384 14.828 4.847
175 HH21 ARG 62 1HH2 ARG 62 2.418 13.431 7.904
176 HH22 ARG 62 2HH2 ARG 62 2.199 14.752 6.806
177 H GLU 63 H GLU 63 3.063 8.508 3.112
178 HA GLU 63 HA GLU 63 5.175 6.652 3.663
179 HB2 GLU 63 1HB GLU 63 3.316 6.717 5.175
180 HB3 GLU 63 2HB GLU 63 2.171 6.446 3.870
181 HG2 GLU 63 1HG GLU 63 2.454 4.229 3.912
182 HG3 GLU 63 2HG GLU 63 4.197 4.354 4.143
183 H LEU 64 H LEU 64 2.923 7.158 1.076
184 HA LEU 64 HA LEU 64 3.322 4.527 -0.068
185 HB2 LEU 64 1HB LEU 64 1.650 5.039 -1.537
186 HB3 LEU 64 2HB LEU 64 1.221 6.080 -0.181
187 HG LEU 64 HG LEU 64 2.666 7.833 -1.551
188 HD11 LEU 64 1HD1 LEU 64 3.155 7.296 -3.645
189 HD12 LEU 64 2HD1 LEU 64 1.479 6.852 -3.970
190 HD13 LEU 64 3HD1 LEU 64 2.598 5.655 -3.316
191 HD21 LEU 64 1HD2 LEU 64 0.042 7.509 -0.987
192 HD22 LEU 64 2HD2 LEU 64 0.005 7.458 -2.749
193 HD23 LEU 64 3HD2 LEU 64 0.695 8.855 -1.921
194 H LYS 65 H LYS 65 4.546 7.771 -0.470
195 HA LYS 65 HA LYS 65 5.884 7.204 -2.958
196 HB2 LYS 65 1HB LYS 65 6.094 9.541 -1.052
197 HB3 LYS 65 2HB LYS 65 6.914 9.451 -2.605
198 HG2 LYS 65 1HG LYS 65 4.941 9.650 -3.804
199 HG3 LYS 65 2HG LYS 65 3.944 9.143 -2.438
200 HD2 LYS 65 1HD LYS 65 3.537 11.382 -2.357
201 HD3 LYS 65 2HD LYS 65 4.995 11.338 -1.363
202 HE2 LYS 65 1HE LYS 65 6.230 12.420 -2.904
203 HE3 LYS 65 2HE LYS 65 5.466 11.581 -4.253
204 HZ1 LYS 65 1HZ LYS 65 4.898 14.157 -3.177
205 HZ2 LYS 65 2HZ LYS 65 3.506 13.197 -3.228
206 HZ3 LYS 65 3HZ LYS 65 4.397 13.471 -4.640
207 H ALA 66 H ALA 66 6.897 7.747 0.409
208 HA ALA 66 HA ALA 66 9.645 7.364 0.011
209 HB1 ALA 66 1HB ALA 66 8.381 6.522 2.573
210 HB2 ALA 66 2HB ALA 66 9.854 7.452 2.291
211 HB3 ALA 66 3HB ALA 66 8.277 8.214 2.085
212 H ALA 67 H ALA 67 7.142 5.058 1.060
213 HA ALA 67 HA ALA 67 8.752 2.819 1.380
214 HB1 ALA 67 1HB ALA 67 5.865 3.145 0.643
215 HB2 ALA 67 2HB ALA 67 6.604 1.548 0.770
216 HB3 ALA 67 3HB ALA 67 6.569 2.618 2.171
217 H TYR 68 H TYR 68 7.564 4.325 -1.526
218 HA TYR 68 HA TYR 68 8.036 2.121 -3.269
219 HB2 TYR 68 1HB TYR 68 7.276 4.957 -3.543
220 HB3 TYR 68 2HB TYR 68 8.160 4.290 -4.910
221 HD1 TYR 68 HD1 TYR 68 6.628 3.934 -6.611
222 HD2 TYR 68 HD2 TYR 68 5.616 2.753 -2.651
223 HE1 TYR 68 HE1 TYR 68 4.557 2.908 -7.453
224 HE2 TYR 68 HE2 TYR 68 3.543 1.723 -3.482
225 HH TYR 68 HH TYR 68 2.611 1.960 -6.890
226 H ASP 69 H ASP 69 10.019 4.603 -1.907
227 HA ASP 69 HA ASP 69 12.189 4.091 -3.794
228 HB2 ASP 69 1HB ASP 69 11.642 6.176 -1.724
229 HB3 ASP 69 2HB ASP 69 13.312 5.859 -2.185
230 H GLN 70 H GLN 70 11.400 3.719 -0.374
231 HA GLN 70 HA GLN 70 13.851 2.875 0.601
232 HB2 GLN 70 1HB GLN 70 11.067 2.016 1.397
233 HB3 GLN 70 2HB GLN 70 12.514 1.623 2.316
234 HG2 GLN 70 1HG GLN 70 11.267 4.309 1.856
235 HG3 GLN 70 2HG GLN 70 11.577 3.483 3.382
236 HE21 GLN 70 1HE2 GLN 70 14.327 5.901 1.748
237 HE22 GLN 70 2HE2 GLN 70 12.753 5.663 1.078
238 H ARG 71 H ARG 71 11.225 0.879 -0.740
239 HA ARG 71 HA ARG 71 12.759 -1.533 -0.594
240 HB2 ARG 71 1HB ARG 71 10.238 -0.966 -2.164
241 HB3 ARG 71 2HB ARG 71 10.896 -2.554 -1.794
242 HG2 ARG 71 1HG ARG 71 10.231 -2.475 0.396
243 HG3 ARG 71 2HG ARG 71 10.255 -0.711 0.452
244 HD2 ARG 71 1HD ARG 71 8.209 -0.538 -0.683
245 HD3 ARG 71 2HD ARG 71 8.280 -2.210 -1.239
246 HE ARG 71 HE ARG 71 7.278 -2.837 0.709
247 HH11 ARG 71 1HH1 ARG 71 8.715 0.302 1.161
248 HH12 ARG 71 2HH1 ARG 71 8.067 0.513 2.754
249 HH21 ARG 71 1HH2 ARG 71 6.420 -2.571 2.806
250 HH22 ARG 71 2HH2 ARG 71 6.763 -1.122 3.689
251 H GLN 72 H GLN 72 12.629 1.072 -2.769
252 HA GLN 72 HA GLN 72 14.674 0.092 -4.408
253 HB2 GLN 72 1HB GLN 72 11.997 -0.726 -5.176
254 HB3 GLN 72 2HB GLN 72 12.771 0.221 -6.440
255 HG2 GLN 72 1HG GLN 72 14.516 -1.806 -5.287
256 HG3 GLN 72 2HG GLN 72 13.065 -2.469 -6.038
257 HE21 GLN 72 1HE2 GLN 72 16.105 -1.099 -8.268
258 HE22 GLN 72 2HE2 GLN 72 16.147 -1.159 -6.542
Start of MODEL 18
1 H ILE 40 H ILE 40 2.239 -1.698 -1.878
2 HA ILE 40 HA ILE 40 3.180 -0.336 -4.061
3 HB ILE 40 HB ILE 40 5.234 0.067 -2.855
4 HG12 ILE 40 1HG1 ILE 40 5.245 -1.250 -0.506
5 HG13 ILE 40 2HG1 ILE 40 4.492 -2.477 -1.519
6 HG21 ILE 40 1HG2 ILE 40 3.774 0.139 -0.440
7 HG22 ILE 40 2HG2 ILE 40 4.042 1.445 -1.593
8 HG23 ILE 40 3HG2 ILE 40 2.628 0.403 -1.753
9 HD11 ILE 40 1HD1 ILE 40 6.373 -2.644 -2.899
10 HD12 ILE 40 2HD1 ILE 40 7.059 -1.138 -2.290
11 HD13 ILE 40 3HD1 ILE 40 7.010 -2.566 -1.257
12 H ALA 41 H ALA 41 3.737 -3.646 -3.218
13 HA ALA 41 HA ALA 41 5.999 -3.975 -4.984
14 HB1 ALA 41 1HB ALA 41 4.715 -6.445 -4.214
15 HB2 ALA 41 2HB ALA 41 6.335 -5.854 -3.844
16 HB3 ALA 41 3HB ALA 41 4.973 -5.393 -2.822
17 H LEU 42 H LEU 42 2.858 -3.454 -5.596
18 HA LEU 42 HA LEU 42 2.839 -5.225 -7.952
19 HB2 LEU 42 1HB LEU 42 0.433 -5.207 -7.880
20 HB3 LEU 42 2HB LEU 42 1.072 -5.742 -6.328
21 HG LEU 42 HG LEU 42 0.291 -2.881 -6.692
22 HD11 LEU 42 1HD1 LEU 42 -1.602 -4.180 -7.545
23 HD12 LEU 42 2HD1 LEU 42 -1.983 -3.394 -6.014
24 HD13 LEU 42 3HD1 LEU 42 -1.624 -5.120 -6.053
25 HD21 LEU 42 1HD2 LEU 42 0.605 -2.796 -4.493
26 HD22 LEU 42 2HD2 LEU 42 1.299 -4.414 -4.601
27 HD23 LEU 42 3HD2 LEU 42 -0.413 -4.211 -4.226
28 HA PRO 43 HA PRO 43 2.762 -1.690 -10.555
29 HB2 PRO 43 1HB PRO 43 1.294 -2.621 -12.641
30 HB3 PRO 43 2HB PRO 43 2.953 -3.143 -12.325
31 HG2 PRO 43 1HG PRO 43 0.376 -4.509 -11.650
32 HG3 PRO 43 2HG PRO 43 1.870 -5.201 -12.309
33 HD2 PRO 43 1HD PRO 43 1.211 -5.383 -9.689
34 HD3 PRO 43 2HD PRO 43 2.894 -5.275 -10.245
35 H ALA 44 H ALA 44 1.136 -1.044 -8.594
36 HA ALA 44 HA ALA 44 -1.468 -0.389 -9.800
37 HB1 ALA 44 1HB ALA 44 -0.625 -0.587 -6.916
38 HB2 ALA 44 2HB ALA 44 -2.182 0.055 -7.440
39 HB3 ALA 44 3HB ALA 44 -1.759 -1.622 -7.783
40 H PHE 45 H PHE 45 1.517 0.924 -8.881
41 HA PHE 45 HA PHE 45 0.688 3.540 -8.144
42 HB2 PHE 45 1HB PHE 45 3.270 2.257 -8.911
43 HB3 PHE 45 2HB PHE 45 3.172 4.014 -8.953
44 HD1 PHE 45 HD1 PHE 45 1.559 1.652 -6.587
45 HD2 PHE 45 HD2 PHE 45 4.483 4.691 -7.160
46 HE1 PHE 45 HE1 PHE 45 1.952 1.726 -4.159
47 HE2 PHE 45 HE2 PHE 45 4.882 4.769 -4.733
48 HZ PHE 45 HZ PHE 45 3.616 3.286 -3.229
49 H SER 46 H SER 46 0.664 1.922 -11.088
50 HA SER 46 HA SER 46 1.343 3.972 -12.895
51 HB2 SER 46 1HB SER 46 0.203 1.316 -13.027
52 HB3 SER 46 2HB SER 46 -0.619 2.403 -14.145
53 HG SER 46 HG SER 46 2.176 1.931 -13.984
54 H GLN 47 H GLN 47 -1.958 2.724 -12.469
55 HA GLN 47 HA GLN 47 -3.033 5.321 -13.171
56 HB2 GLN 47 1HB GLN 47 -4.021 2.562 -13.064
57 HB3 GLN 47 2HB GLN 47 -5.194 3.755 -12.523
58 HG2 GLN 47 1HG GLN 47 -5.643 3.589 -14.776
59 HG3 GLN 47 2HG GLN 47 -4.589 5.000 -14.698
60 HE21 GLN 47 1HE2 GLN 47 -3.327 1.548 -16.466
61 HE22 GLN 47 2HE2 GLN 47 -4.689 1.559 -15.403
62 H VAL 48 H VAL 48 -2.392 6.547 -11.348
63 HA VAL 48 HA VAL 48 -3.898 5.932 -8.888
64 HB VAL 48 HB VAL 48 -1.397 5.871 -8.666
65 HG11 VAL 48 1HG1 VAL 48 -1.456 8.860 -8.829
66 HG12 VAL 48 2HG1 VAL 48 -0.075 7.764 -8.903
67 HG13 VAL 48 3HG1 VAL 48 -1.180 7.887 -10.273
68 HG21 VAL 48 1HG2 VAL 48 -2.095 6.175 -6.565
69 HG22 VAL 48 2HG2 VAL 48 -1.643 7.866 -6.784
70 HG23 VAL 48 3HG2 VAL 48 -3.310 7.358 -7.049
71 H ASP 49 H ASP 49 -3.064 8.335 -11.271
72 HA ASP 49 HA ASP 49 -3.963 10.361 -11.785
73 HB2 ASP 49 1HB ASP 49 -6.146 9.620 -11.835
74 HB3 ASP 49 2HB ASP 49 -6.121 9.102 -10.152
75 HA PRO 50 HA PRO 50 -2.198 12.866 -8.590
76 HB2 PRO 50 1HB PRO 50 -2.516 15.259 -9.832
77 HB3 PRO 50 2HB PRO 50 -1.269 14.096 -10.295
78 HG2 PRO 50 1HG PRO 50 -3.936 14.614 -11.551
79 HG3 PRO 50 2HG PRO 50 -2.366 14.345 -12.330
80 HD2 PRO 50 1HD PRO 50 -4.237 12.400 -12.115
81 HD3 PRO 50 2HD PRO 50 -2.496 12.057 -12.087
82 H GLU 51 H GLU 51 -5.363 13.519 -9.997
83 HA GLU 51 HA GLU 51 -6.243 15.479 -8.206
84 HB2 GLU 51 1HB GLU 51 -7.797 13.373 -9.715
85 HB3 GLU 51 2HB GLU 51 -8.543 14.700 -8.836
86 HG2 GLU 51 1HG GLU 51 -7.937 16.253 -10.375
87 HG3 GLU 51 2HG GLU 51 -6.474 15.386 -10.839
88 H VAL 52 H VAL 52 -6.389 11.950 -8.024
89 HA VAL 52 HA VAL 52 -7.778 11.982 -5.495
90 HB VAL 52 HB VAL 52 -7.566 10.111 -7.470
91 HG11 VAL 52 1HG1 VAL 52 -5.242 9.610 -6.723
92 HG12 VAL 52 2HG1 VAL 52 -5.905 9.070 -5.179
93 HG13 VAL 52 3HG1 VAL 52 -6.328 8.223 -6.667
94 HG21 VAL 52 1HG2 VAL 52 -8.470 10.053 -4.635
95 HG22 VAL 52 2HG2 VAL 52 -9.409 9.921 -6.122
96 HG23 VAL 52 3HG2 VAL 52 -8.465 8.545 -5.550
97 H PHE 53 H PHE 53 -4.484 11.751 -6.620
98 HA PHE 53 HA PHE 53 -3.257 10.671 -4.358
99 HB2 PHE 53 1HB PHE 53 -2.338 11.404 -6.753
100 HB3 PHE 53 2HB PHE 53 -1.843 12.830 -5.846
101 HD1 PHE 53 HD1 PHE 53 -0.773 12.116 -3.437
102 HD2 PHE 53 HD2 PHE 53 -0.720 9.816 -7.018
103 HE1 PHE 53 HE1 PHE 53 1.217 10.914 -2.632
104 HE2 PHE 53 HE2 PHE 53 1.269 8.610 -6.218
105 HZ PHE 53 HZ PHE 53 2.240 9.157 -4.022
106 H ALA 54 H ALA 54 -3.724 14.099 -5.214
107 HA ALA 54 HA ALA 54 -2.697 15.102 -2.771
108 HB1 ALA 54 1HB ALA 54 -3.713 17.240 -3.475
109 HB2 ALA 54 2HB ALA 54 -2.747 16.489 -4.747
110 HB3 ALA 54 3HB ALA 54 -4.508 16.397 -4.806
111 H ALA 55 H ALA 55 -5.702 13.710 -3.623
112 HA ALA 55 HA ALA 55 -7.416 15.019 -1.809
113 HB1 ALA 55 1HB ALA 55 -7.875 12.153 -2.428
114 HB2 ALA 55 2HB ALA 55 -9.000 13.511 -2.444
115 HB3 ALA 55 3HB ALA 55 -7.861 13.294 -3.772
116 H LEU 56 H LEU 56 -5.304 12.211 -1.475
117 HA LEU 56 HA LEU 56 -6.190 11.633 1.202
118 HB2 LEU 56 1HB LEU 56 -4.064 10.564 -0.608
119 HB3 LEU 56 2HB LEU 56 -4.051 10.156 1.106
120 HG LEU 56 HG LEU 56 -6.375 9.605 -0.734
121 HD11 LEU 56 1HD1 LEU 56 -5.057 8.030 -1.617
122 HD12 LEU 56 2HD1 LEU 56 -5.295 7.183 -0.089
123 HD13 LEU 56 3HD1 LEU 56 -3.857 8.175 -0.333
124 HD21 LEU 56 1HD2 LEU 56 -5.855 8.157 1.807
125 HD22 LEU 56 2HD2 LEU 56 -7.383 8.550 1.019
126 HD23 LEU 56 3HD2 LEU 56 -6.500 9.796 1.902
127 HA PRO 57 HA PRO 57 -3.464 14.155 3.537
128 HB2 PRO 57 1HB PRO 57 -2.771 12.513 5.586
129 HB3 PRO 57 2HB PRO 57 -4.381 13.226 5.428
130 HG2 PRO 57 1HG PRO 57 -3.444 10.480 4.692
131 HG3 PRO 57 2HG PRO 57 -4.941 10.970 5.506
132 HD2 PRO 57 1HD PRO 57 -4.850 10.356 2.870
133 HD3 PRO 57 2HD PRO 57 -5.968 11.567 3.530
134 H ALA 58 H ALA 58 -1.325 14.679 3.754
135 HA ALA 58 HA ALA 58 0.587 13.550 2.127
136 HB1 ALA 58 1HB ALA 58 1.077 15.060 4.692
137 HB2 ALA 58 2HB ALA 58 2.239 14.824 3.385
138 HB3 ALA 58 3HB ALA 58 0.784 15.782 3.109
139 H GLU 59 H GLU 59 -0.303 12.670 5.395
140 HA GLU 59 HA GLU 59 1.931 11.120 6.072
141 HB2 GLU 59 1HB GLU 59 -0.959 10.949 6.921
142 HB3 GLU 59 2HB GLU 59 0.293 9.919 7.601
143 HG2 GLU 59 1HG GLU 59 0.497 12.911 7.635
144 HG3 GLU 59 2HG GLU 59 -0.333 12.006 8.900
145 H LEU 60 H LEU 60 -0.982 10.338 4.253
146 HA LEU 60 HA LEU 60 -0.200 7.555 3.979
147 HB2 LEU 60 1HB LEU 60 -2.517 9.100 2.825
148 HB3 LEU 60 2HB LEU 60 -2.267 7.366 2.636
149 HG LEU 60 HG LEU 60 -2.657 8.716 5.302
150 HD11 LEU 60 1HD1 LEU 60 -4.849 7.072 4.387
151 HD12 LEU 60 2HD1 LEU 60 -4.568 8.437 3.307
152 HD13 LEU 60 3HD1 LEU 60 -4.861 8.717 5.023
153 HD21 LEU 60 1HD2 LEU 60 -2.586 6.656 6.238
154 HD22 LEU 60 2HD2 LEU 60 -1.567 6.316 4.839
155 HD23 LEU 60 3HD2 LEU 60 -3.273 5.865 4.820
156 H GLN 61 H GLN 61 -0.427 10.464 1.992
157 HA GLN 61 HA GLN 61 0.221 9.244 -0.471
158 HB2 GLN 61 1HB GLN 61 -0.238 11.292 -1.224
159 HB3 GLN 61 2HB GLN 61 -0.396 11.838 0.441
160 HG2 GLN 61 1HG GLN 61 1.888 12.508 0.519
161 HG3 GLN 61 2HG GLN 61 2.218 11.754 -1.041
162 HE21 GLN 61 1HE2 GLN 61 -0.257 14.994 -1.244
163 HE22 GLN 61 2HE2 GLN 61 -0.564 13.710 -0.130
164 H ARG 62 H ARG 62 2.151 10.370 2.200
165 HA ARG 62 HA ARG 62 4.632 10.294 0.730
166 HB2 ARG 62 1HB ARG 62 5.677 10.996 2.726
167 HB3 ARG 62 2HB ARG 62 4.122 11.816 2.707
168 HG2 ARG 62 1HG ARG 62 3.275 9.914 4.166
169 HG3 ARG 62 2HG ARG 62 4.972 9.475 4.376
170 HD2 ARG 62 1HD ARG 62 5.346 11.882 5.099
171 HD3 ARG 62 2HD ARG 62 3.590 12.020 5.183
172 HE ARG 62 HE ARG 62 3.638 10.848 7.141
173 HH11 ARG 62 1HH1 ARG 62 6.633 10.325 5.445
174 HH12 ARG 62 2HH1 ARG 62 7.368 9.447 6.746
175 HH21 ARG 62 1HH2 ARG 62 4.594 9.694 8.860
176 HH22 ARG 62 2HH2 ARG 62 6.206 9.088 8.688
177 H GLU 63 H GLU 63 2.726 8.120 2.632
178 HA GLU 63 HA GLU 63 4.799 6.281 3.287
179 HB2 GLU 63 1HB GLU 63 2.802 6.252 4.605
180 HB3 GLU 63 2HB GLU 63 1.796 6.011 3.184
181 HG2 GLU 63 1HG GLU 63 2.090 3.801 3.202
182 HG3 GLU 63 2HG GLU 63 3.813 3.937 3.550
183 H LEU 64 H LEU 64 2.726 6.750 0.526
184 HA LEU 64 HA LEU 64 3.383 4.186 -0.646
185 HB2 LEU 64 1HB LEU 64 1.858 4.688 -2.312
186 HB3 LEU 64 2HB LEU 64 1.183 5.490 -0.895
187 HG LEU 64 HG LEU 64 2.585 7.530 -1.937
188 HD11 LEU 64 1HD1 LEU 64 2.319 5.551 -4.072
189 HD12 LEU 64 2HD1 LEU 64 3.375 6.958 -3.949
190 HD13 LEU 64 3HD1 LEU 64 1.709 7.153 -4.492
191 HD21 LEU 64 1HD2 LEU 64 -0.016 6.972 -1.490
192 HD22 LEU 64 2HD2 LEU 64 -0.019 7.112 -3.248
193 HD23 LEU 64 3HD2 LEU 64 0.555 8.454 -2.257
194 H LYS 65 H LYS 65 4.394 7.523 -0.909
195 HA LYS 65 HA LYS 65 5.980 7.075 -3.277
196 HB2 LYS 65 1HB LYS 65 5.912 9.429 -1.379
197 HB3 LYS 65 2HB LYS 65 6.735 9.395 -2.933
198 HG2 LYS 65 1HG LYS 65 4.756 9.437 -4.131
199 HG3 LYS 65 2HG LYS 65 3.803 8.842 -2.770
200 HD2 LYS 65 1HD LYS 65 3.204 11.018 -2.614
201 HD3 LYS 65 2HD LYS 65 4.718 11.138 -1.715
202 HE2 LYS 65 1HE LYS 65 5.863 12.041 -3.547
203 HE3 LYS 65 2HE LYS 65 4.631 11.513 -4.691
204 HZ1 LYS 65 1HZ LYS 65 4.800 13.945 -3.228
205 HZ2 LYS 65 2HZ LYS 65 3.326 13.171 -2.933
206 HZ3 LYS 65 3HZ LYS 65 3.783 13.541 -4.519
207 H ALA 66 H ALA 66 6.567 7.488 0.189
208 HA ALA 66 HA ALA 66 9.401 7.381 0.008
209 HB1 ALA 66 1HB ALA 66 7.782 6.648 2.433
210 HB2 ALA 66 2HB ALA 66 9.412 7.321 2.366
211 HB3 ALA 66 3HB ALA 66 8.027 8.318 1.919
212 H ALA 67 H ALA 67 6.902 4.959 0.652
213 HA ALA 67 HA ALA 67 8.491 2.804 1.362
214 HB1 ALA 67 1HB ALA 67 6.625 1.418 0.291
215 HB2 ALA 67 2HB ALA 67 6.183 2.517 1.599
216 HB3 ALA 67 3HB ALA 67 5.863 2.965 -0.077
217 H TYR 68 H TYR 68 7.794 4.117 -1.823
218 HA TYR 68 HA TYR 68 8.928 1.957 -3.290
219 HB2 TYR 68 1HB TYR 68 7.756 4.566 -3.876
220 HB3 TYR 68 2HB TYR 68 9.102 4.173 -4.939
221 HD1 TYR 68 HD1 TYR 68 6.460 2.012 -3.426
222 HD2 TYR 68 HD2 TYR 68 8.208 3.555 -6.985
223 HE1 TYR 68 HE1 TYR 68 4.975 0.583 -4.768
224 HE2 TYR 68 HE2 TYR 68 6.727 2.131 -8.337
225 HH TYR 68 HH TYR 68 5.291 -0.418 -7.423
226 H ASP 69 H ASP 69 10.213 4.746 -1.706
227 HA ASP 69 HA ASP 69 12.755 4.608 -3.108
228 HB2 ASP 69 1HB ASP 69 11.466 6.715 -2.084
229 HB3 ASP 69 2HB ASP 69 12.429 6.285 -0.672
230 H GLN 70 H GLN 70 11.401 3.822 0.047
231 HA GLN 70 HA GLN 70 13.722 3.284 1.462
232 HB2 GLN 70 1HB GLN 70 11.013 1.960 1.607
233 HB3 GLN 70 2HB GLN 70 12.298 1.672 2.772
234 HG2 GLN 70 1HG GLN 70 10.761 4.194 2.271
235 HG3 GLN 70 2HG GLN 70 10.908 3.269 3.764
236 HE21 GLN 70 1HE2 GLN 70 13.545 6.164 2.842
237 HE22 GLN 70 2HE2 GLN 70 12.207 5.755 1.829
238 H ARG 71 H ARG 71 11.781 1.033 -0.499
239 HA ARG 71 HA ARG 71 13.511 -1.176 -0.149
240 HB2 ARG 71 1HB ARG 71 11.583 -0.646 -2.417
241 HB3 ARG 71 2HB ARG 71 12.267 -2.206 -1.977
242 HG2 ARG 71 1HG ARG 71 10.402 -0.546 -0.293
243 HG3 ARG 71 2HG ARG 71 9.984 -2.008 -1.189
244 HD2 ARG 71 1HD ARG 71 11.945 -1.813 1.095
245 HD3 ARG 71 2HD ARG 71 10.324 -2.500 1.172
246 HE ARG 71 HE ARG 71 11.980 -3.748 -0.805
247 HH11 ARG 71 1HH1 ARG 71 11.139 -3.691 2.572
248 HH12 ARG 71 2HH1 ARG 71 11.617 -5.332 2.853
249 HH21 ARG 71 1HH2 ARG 71 12.613 -5.911 -0.448
250 HH22 ARG 71 2HH2 ARG 71 12.456 -6.594 1.135
251 H GLN 72 H GLN 72 13.694 1.616 -2.123
252 HA GLN 72 HA GLN 72 15.200 2.338 -3.666
253 HB2 GLN 72 1HB GLN 72 16.665 0.381 -2.037
254 HB3 GLN 72 2HB GLN 72 17.352 0.643 -3.635
255 HG2 GLN 72 1HG GLN 72 17.455 3.046 -3.192
256 HG3 GLN 72 2HG GLN 72 16.783 2.773 -1.585
257 HE21 GLN 72 1HE2 GLN 72 20.053 2.721 -0.425
258 HE22 GLN 72 2HE2 GLN 72 18.516 3.509 -0.445
Start of MODEL 19
1 H ILE 40 H ILE 40 3.845 -1.453 -0.482
2 HA ILE 40 HA ILE 40 3.306 -0.419 -2.915
3 HB ILE 40 HB ILE 40 5.651 -0.403 -3.429
4 HG12 ILE 40 1HG1 ILE 40 6.044 -2.823 -2.949
5 HG13 ILE 40 2HG1 ILE 40 7.285 -1.765 -2.285
6 HG21 ILE 40 1HG2 ILE 40 4.629 0.270 -0.816
7 HG22 ILE 40 2HG2 ILE 40 6.355 -0.082 -0.755
8 HG23 ILE 40 3HG2 ILE 40 5.747 1.160 -1.850
9 HD11 ILE 40 1HD1 ILE 40 6.883 -3.281 -0.583
10 HD12 ILE 40 2HD1 ILE 40 5.917 -1.882 -0.114
11 HD13 ILE 40 3HD1 ILE 40 5.142 -3.280 -0.858
12 H ALA 41 H ALA 41 3.822 -3.773 -2.198
13 HA ALA 41 HA ALA 41 4.390 -4.687 -4.814
14 HB1 ALA 41 1HB ALA 41 3.942 -6.887 -3.979
15 HB2 ALA 41 2HB ALA 41 4.792 -5.981 -2.727
16 HB3 ALA 41 3HB ALA 41 3.052 -6.236 -2.603
17 H LEU 42 H LEU 42 1.565 -3.432 -3.450
18 HA LEU 42 HA LEU 42 -0.393 -4.945 -4.830
19 HB2 LEU 42 1HB LEU 42 -1.832 -2.903 -4.389
20 HB3 LEU 42 2HB LEU 42 -1.157 -3.729 -2.986
21 HG LEU 42 HG LEU 42 0.480 -1.505 -3.971
22 HD11 LEU 42 1HD1 LEU 42 -2.094 -0.916 -4.220
23 HD12 LEU 42 2HD1 LEU 42 -0.919 0.251 -3.616
24 HD13 LEU 42 3HD1 LEU 42 -1.936 -0.641 -2.485
25 HD21 LEU 42 1HD2 LEU 42 0.993 -1.271 -1.764
26 HD22 LEU 42 2HD2 LEU 42 0.485 -2.960 -1.756
27 HD23 LEU 42 3HD2 LEU 42 -0.630 -1.701 -1.224
28 HA PRO 43 HA PRO 43 -0.284 -3.334 -8.911
29 HB2 PRO 43 1HB PRO 43 -2.919 -3.316 -9.562
30 HB3 PRO 43 2HB PRO 43 -1.976 -4.803 -9.417
31 HG2 PRO 43 1HG PRO 43 -3.839 -3.542 -7.442
32 HG3 PRO 43 2HG PRO 43 -3.673 -5.250 -7.892
33 HD2 PRO 43 1HD PRO 43 -2.581 -4.224 -5.636
34 HD3 PRO 43 2HD PRO 43 -1.832 -5.557 -6.539
35 H ALA 44 H ALA 44 0.234 -1.236 -7.412
36 HA ALA 44 HA ALA 44 -1.662 0.840 -8.299
37 HB1 ALA 44 1HB ALA 44 -1.161 2.133 -6.344
38 HB2 ALA 44 2HB ALA 44 -1.628 0.510 -5.834
39 HB3 ALA 44 3HB ALA 44 0.072 0.977 -5.839
40 H PHE 45 H PHE 45 -0.155 3.066 -7.709
41 HA PHE 45 HA PHE 45 1.431 4.439 -8.587
42 HB2 PHE 45 1HB PHE 45 3.060 1.891 -8.684
43 HB3 PHE 45 2HB PHE 45 3.706 3.516 -8.887
44 HD1 PHE 45 HD1 PHE 45 4.378 4.760 -7.041
45 HD2 PHE 45 HD2 PHE 45 1.910 1.338 -6.479
46 HE1 PHE 45 HE1 PHE 45 4.687 4.941 -4.607
47 HE2 PHE 45 HE2 PHE 45 2.214 1.515 -4.044
48 HZ PHE 45 HZ PHE 45 3.603 3.319 -3.105
49 H SER 46 H SER 46 -0.503 3.256 -10.341
50 HA SER 46 HA SER 46 0.869 3.716 -12.861
51 HB2 SER 46 1HB SER 46 0.319 1.083 -11.993
52 HB3 SER 46 2HB SER 46 -0.861 1.451 -13.251
53 HG SER 46 HG SER 46 1.426 0.619 -13.774
54 H GLN 47 H GLN 47 -2.167 2.965 -11.207
55 HA GLN 47 HA GLN 47 -3.562 4.684 -13.153
56 HB2 GLN 47 1HB GLN 47 -4.207 2.244 -13.154
57 HB3 GLN 47 2HB GLN 47 -4.815 2.476 -11.520
58 HG2 GLN 47 1HG GLN 47 -6.744 3.179 -12.328
59 HG3 GLN 47 2HG GLN 47 -5.926 4.504 -13.154
60 HE21 GLN 47 1HE2 GLN 47 -5.608 2.613 -16.225
61 HE22 GLN 47 2HE2 GLN 47 -4.632 3.559 -15.159
62 H VAL 48 H VAL 48 -2.343 5.973 -11.139
63 HA VAL 48 HA VAL 48 -4.537 6.616 -9.276
64 HB VAL 48 HB VAL 48 -2.174 7.611 -8.154
65 HG11 VAL 48 1HG1 VAL 48 -3.187 5.017 -7.176
66 HG12 VAL 48 2HG1 VAL 48 -2.931 6.536 -6.315
67 HG13 VAL 48 3HG1 VAL 48 -4.372 6.317 -7.309
68 HG21 VAL 48 1HG2 VAL 48 -1.779 4.730 -8.945
69 HG22 VAL 48 2HG2 VAL 48 -0.973 6.090 -9.728
70 HG23 VAL 48 3HG2 VAL 48 -0.673 5.749 -8.024
71 H ASP 49 H ASP 49 -5.389 8.219 -10.629
72 HA ASP 49 HA ASP 49 -4.055 10.227 -11.959
73 HB2 ASP 49 1HB ASP 49 -6.772 9.816 -10.948
74 HB3 ASP 49 2HB ASP 49 -6.317 11.515 -11.045
75 HA PRO 50 HA PRO 50 -2.361 13.015 -9.029
76 HB2 PRO 50 1HB PRO 50 -2.882 15.433 -10.150
77 HB3 PRO 50 2HB PRO 50 -1.679 14.313 -10.799
78 HG2 PRO 50 1HG PRO 50 -4.493 14.798 -11.697
79 HG3 PRO 50 2HG PRO 50 -3.028 14.589 -12.673
80 HD2 PRO 50 1HD PRO 50 -4.816 12.593 -12.284
81 HD3 PRO 50 2HD PRO 50 -3.077 12.293 -12.484
82 H GLU 51 H GLU 51 -5.600 13.999 -10.133
83 HA GLU 51 HA GLU 51 -6.225 15.694 -8.003
84 HB2 GLU 51 1HB GLU 51 -7.811 14.153 -10.002
85 HB3 GLU 51 2HB GLU 51 -8.662 14.829 -8.620
86 HG2 GLU 51 1HG GLU 51 -6.845 16.564 -10.224
87 HG3 GLU 51 2HG GLU 51 -8.457 16.184 -10.828
88 H VAL 52 H VAL 52 -5.960 12.283 -8.116
89 HA VAL 52 HA VAL 52 -7.599 11.855 -5.751
90 HB VAL 52 HB VAL 52 -5.867 9.709 -6.888
91 HG11 VAL 52 1HG1 VAL 52 -7.134 9.016 -5.046
92 HG12 VAL 52 2HG1 VAL 52 -8.568 9.888 -5.591
93 HG13 VAL 52 3HG1 VAL 52 -8.041 8.435 -6.442
94 HG21 VAL 52 1HG2 VAL 52 -7.662 9.221 -8.562
95 HG22 VAL 52 2HG2 VAL 52 -8.338 10.812 -8.216
96 HG23 VAL 52 3HG2 VAL 52 -6.719 10.672 -8.901
97 H PHE 53 H PHE 53 -4.194 11.726 -6.706
98 HA PHE 53 HA PHE 53 -3.088 10.719 -4.374
99 HB2 PHE 53 1HB PHE 53 -2.062 11.566 -6.718
100 HB3 PHE 53 2HB PHE 53 -1.603 12.921 -5.692
101 HD1 PHE 53 HD1 PHE 53 -0.615 9.798 -6.892
102 HD2 PHE 53 HD2 PHE 53 -0.512 12.212 -3.388
103 HE1 PHE 53 HE1 PHE 53 1.313 8.511 -6.066
104 HE2 PHE 53 HE2 PHE 53 1.416 10.930 -2.557
105 HZ PHE 53 HZ PHE 53 2.332 9.078 -3.897
106 H ALA 54 H ALA 54 -3.663 14.128 -5.226
107 HA ALA 54 HA ALA 54 -2.783 15.166 -2.742
108 HB1 ALA 54 1HB ALA 54 -2.798 16.624 -4.614
109 HB2 ALA 54 2HB ALA 54 -4.511 16.331 -4.913
110 HB3 ALA 54 3HB ALA 54 -4.008 17.234 -3.485
111 H ALA 55 H ALA 55 -5.682 13.630 -3.714
112 HA ALA 55 HA ALA 55 -7.517 14.827 -1.938
113 HB1 ALA 55 1HB ALA 55 -7.932 13.242 -3.939
114 HB2 ALA 55 2HB ALA 55 -7.716 11.954 -2.753
115 HB3 ALA 55 3HB ALA 55 -8.997 13.147 -2.536
116 H LEU 56 H LEU 56 -5.298 12.102 -1.588
117 HA LEU 56 HA LEU 56 -6.239 11.453 1.056
118 HB2 LEU 56 1HB LEU 56 -4.080 10.459 -0.745
119 HB3 LEU 56 2HB LEU 56 -4.017 10.065 0.971
120 HG LEU 56 HG LEU 56 -6.584 9.496 -0.355
121 HD11 LEU 56 1HD1 LEU 56 -4.578 8.905 -1.957
122 HD12 LEU 56 2HD1 LEU 56 -5.933 7.799 -1.735
123 HD13 LEU 56 3HD1 LEU 56 -4.420 7.524 -0.871
124 HD21 LEU 56 1HD2 LEU 56 -6.112 7.311 0.915
125 HD22 LEU 56 2HD2 LEU 56 -6.418 8.773 1.853
126 HD23 LEU 56 3HD2 LEU 56 -4.766 8.192 1.640
127 HA PRO 57 HA PRO 57 -3.639 14.007 3.498
128 HB2 PRO 57 1HB PRO 57 -2.923 12.346 5.523
129 HB3 PRO 57 2HB PRO 57 -4.554 13.004 5.352
130 HG2 PRO 57 1HG PRO 57 -3.508 10.310 4.574
131 HG3 PRO 57 2HG PRO 57 -5.036 10.729 5.371
132 HD2 PRO 57 1HD PRO 57 -4.878 10.177 2.725
133 HD3 PRO 57 2HD PRO 57 -6.049 11.333 3.391
134 H ALA 58 H ALA 58 -1.543 14.636 3.638
135 HA ALA 58 HA ALA 58 0.432 13.525 2.071
136 HB1 ALA 58 1HB ALA 58 1.719 14.813 4.246
137 HB2 ALA 58 2HB ALA 58 1.413 15.435 2.624
138 HB3 ALA 58 3HB ALA 58 0.224 15.684 3.903
139 H GLU 59 H GLU 59 -0.370 12.830 5.421
140 HA GLU 59 HA GLU 59 1.909 11.412 6.169
141 HB2 GLU 59 1HB GLU 59 0.131 12.086 7.736
142 HB3 GLU 59 2HB GLU 59 -0.950 10.905 7.010
143 HG2 GLU 59 1HG GLU 59 0.013 10.123 9.120
144 HG3 GLU 59 2HG GLU 59 0.454 9.095 7.758
145 H LEU 60 H LEU 60 -0.952 10.370 4.394
146 HA LEU 60 HA LEU 60 -0.012 7.628 4.263
147 HB2 LEU 60 1HB LEU 60 -2.410 8.994 3.054
148 HB3 LEU 60 2HB LEU 60 -2.058 7.274 2.897
149 HG LEU 60 HG LEU 60 -2.549 8.664 5.528
150 HD11 LEU 60 1HD1 LEU 60 -4.772 8.049 5.454
151 HD12 LEU 60 2HD1 LEU 60 -4.507 6.842 4.197
152 HD13 LEU 60 3HD1 LEU 60 -4.477 8.558 3.791
153 HD21 LEU 60 1HD2 LEU 60 -1.271 6.336 5.127
154 HD22 LEU 60 2HD2 LEU 60 -2.938 5.761 5.157
155 HD23 LEU 60 3HD2 LEU 60 -2.289 6.657 6.532
156 H GLN 61 H GLN 61 -0.396 10.409 2.121
157 HA GLN 61 HA GLN 61 0.300 9.128 -0.282
158 HB2 GLN 61 1HB GLN 61 -0.010 11.160 -1.182
159 HB3 GLN 61 2HB GLN 61 -0.498 11.659 0.433
160 HG2 GLN 61 1HG GLN 61 1.684 12.497 0.910
161 HG3 GLN 61 2HG GLN 61 2.327 11.817 -0.584
162 HE21 GLN 61 1HE2 GLN 61 -0.346 14.842 -1.171
163 HE22 GLN 61 2HE2 GLN 61 -0.731 13.497 -0.158
164 H ARG 62 H ARG 62 2.223 10.403 2.333
165 HA ARG 62 HA ARG 62 4.700 10.336 0.872
166 HB2 ARG 62 1HB ARG 62 5.745 10.938 2.959
167 HB3 ARG 62 2HB ARG 62 4.286 11.899 2.761
168 HG2 ARG 62 1HG ARG 62 3.597 11.229 4.751
169 HG3 ARG 62 2HG ARG 62 3.553 9.565 4.164
170 HD2 ARG 62 1HD ARG 62 5.494 9.018 5.179
171 HD3 ARG 62 2HD ARG 62 6.220 10.595 4.867
172 HE ARG 62 HE ARG 62 4.750 9.788 7.213
173 HH11 ARG 62 1HH1 ARG 62 5.887 12.459 5.292
174 HH12 ARG 62 2HH1 ARG 62 5.826 13.594 6.599
175 HH21 ARG 62 1HH2 ARG 62 4.665 11.273 8.942
176 HH22 ARG 62 2HH2 ARG 62 5.132 12.918 8.675
177 H GLU 63 H GLU 63 2.835 8.123 2.763
178 HA GLU 63 HA GLU 63 4.961 6.328 3.403
179 HB2 GLU 63 1HB GLU 63 3.006 6.272 4.777
180 HB3 GLU 63 2HB GLU 63 1.960 6.020 3.387
181 HG2 GLU 63 1HG GLU 63 2.488 3.803 3.212
182 HG3 GLU 63 2HG GLU 63 4.068 4.006 3.967
183 H LEU 64 H LEU 64 2.814 6.751 0.693
184 HA LEU 64 HA LEU 64 3.464 4.186 -0.477
185 HB2 LEU 64 1HB LEU 64 1.883 4.652 -2.088
186 HB3 LEU 64 2HB LEU 64 1.258 5.515 -0.684
187 HG LEU 64 HG LEU 64 2.667 7.491 -1.848
188 HD11 LEU 64 1HD1 LEU 64 1.761 7.122 -4.347
189 HD12 LEU 64 2HD1 LEU 64 2.168 5.458 -3.927
190 HD13 LEU 64 3HD1 LEU 64 3.400 6.717 -3.836
191 HD21 LEU 64 1HD2 LEU 64 0.646 8.445 -2.120
192 HD22 LEU 64 2HD2 LEU 64 0.072 7.002 -1.284
193 HD23 LEU 64 3HD2 LEU 64 0.008 7.085 -3.045
194 H LYS 65 H LYS 65 4.494 7.508 -0.738
195 HA LYS 65 HA LYS 65 6.010 7.073 -3.157
196 HB2 LYS 65 1HB LYS 65 6.017 9.412 -1.241
197 HB3 LYS 65 2HB LYS 65 6.782 9.383 -2.824
198 HG2 LYS 65 1HG LYS 65 4.762 9.453 -3.947
199 HG3 LYS 65 2HG LYS 65 3.854 8.846 -2.560
200 HD2 LYS 65 1HD LYS 65 3.333 10.955 -2.075
201 HD3 LYS 65 2HD LYS 65 5.035 11.226 -1.690
202 HE2 LYS 65 1HE LYS 65 5.458 11.831 -4.028
203 HE3 LYS 65 2HE LYS 65 3.755 11.570 -4.401
204 HZ1 LYS 65 1HZ LYS 65 4.950 13.680 -2.705
205 HZ2 LYS 65 2HZ LYS 65 3.302 13.307 -2.640
206 HZ3 LYS 65 3HZ LYS 65 3.986 13.863 -4.084
207 H ALA 66 H ALA 66 6.668 7.395 0.299
208 HA ALA 66 HA ALA 66 9.502 7.293 0.049
209 HB1 ALA 66 1HB ALA 66 8.557 8.292 2.004
210 HB2 ALA 66 2HB ALA 66 7.684 6.811 2.403
211 HB3 ALA 66 3HB ALA 66 9.444 6.852 2.504
212 H ALA 67 H ALA 67 7.006 4.878 0.737
213 HA ALA 67 HA ALA 67 8.591 2.705 1.378
214 HB1 ALA 67 1HB ALA 67 6.025 2.690 -0.208
215 HB2 ALA 67 2HB ALA 67 6.738 1.304 0.618
216 HB3 ALA 67 3HB ALA 67 6.158 2.683 1.551
217 H TYR 68 H TYR 68 7.849 4.066 -1.776
218 HA TYR 68 HA TYR 68 8.932 1.919 -3.297
219 HB2 TYR 68 1HB TYR 68 7.757 4.527 -3.814
220 HB3 TYR 68 2HB TYR 68 9.122 4.206 -4.878
221 HD1 TYR 68 HD1 TYR 68 6.348 2.106 -3.496
222 HD2 TYR 68 HD2 TYR 68 8.423 3.480 -6.947
223 HE1 TYR 68 HE1 TYR 68 4.907 0.705 -4.912
224 HE2 TYR 68 HE2 TYR 68 6.986 2.084 -8.374
225 HH TYR 68 HH TYR 68 5.411 -0.364 -7.561
226 H ASP 69 H ASP 69 10.279 4.702 -1.727
227 HA ASP 69 HA ASP 69 12.805 4.506 -3.148
228 HB2 ASP 69 1HB ASP 69 11.624 6.664 -2.230
229 HB3 ASP 69 2HB ASP 69 12.408 6.212 -0.719
230 H GLN 70 H GLN 70 11.427 3.649 -0.043
231 HA GLN 70 HA GLN 70 13.676 3.160 1.469
232 HB2 GLN 70 1HB GLN 70 11.053 1.673 1.361
233 HB3 GLN 70 2HB GLN 70 12.288 1.346 2.569
234 HG2 GLN 70 1HG GLN 70 10.655 3.828 2.189
235 HG3 GLN 70 2HG GLN 70 10.773 2.790 3.609
236 HE21 GLN 70 1HE2 GLN 70 13.344 5.843 3.031
237 HE22 GLN 70 2HE2 GLN 70 12.108 5.440 1.893
238 H ARG 71 H ARG 71 12.018 0.842 -0.671
239 HA ARG 71 HA ARG 71 13.786 -1.286 -0.334
240 HB2 ARG 71 1HB ARG 71 12.825 -2.236 -2.302
241 HB3 ARG 71 2HB ARG 71 11.546 -1.362 -1.470
242 HG2 ARG 71 1HG ARG 71 12.632 0.505 -3.210
243 HG3 ARG 71 2HG ARG 71 12.602 -1.000 -4.131
244 HD2 ARG 71 1HD ARG 71 10.178 -1.185 -3.148
245 HD3 ARG 71 2HD ARG 71 10.347 0.559 -2.956
246 HE ARG 71 HE ARG 71 11.076 0.175 -5.520
247 HH11 ARG 71 1HH1 ARG 71 8.316 -0.863 -3.670
248 HH12 ARG 71 2HH1 ARG 71 7.244 -0.873 -5.030
249 HH21 ARG 71 1HH2 ARG 71 9.674 0.167 -7.319
250 HH22 ARG 71 2HH2 ARG 71 8.018 -0.288 -7.106
251 H GLN 72 H GLN 72 14.144 1.655 -2.091
252 HA GLN 72 HA GLN 72 16.300 0.680 -3.757
253 HB2 GLN 72 1HB GLN 72 14.522 2.802 -3.928
254 HB3 GLN 72 2HB GLN 72 16.056 3.576 -3.553
255 HG2 GLN 72 1HG GLN 72 16.701 3.365 -5.653
256 HG3 GLN 72 2HG GLN 72 16.507 1.616 -5.559
257 HE21 GLN 72 1HE2 GLN 72 13.529 1.515 -7.353
258 HE22 GLN 72 2HE2 GLN 72 14.671 0.665 -6.374
Start of MODEL 20
1 H ILE 40 H ILE 40 4.755 -3.050 -0.241
2 HA ILE 40 HA ILE 40 2.720 -1.085 0.476
3 HB ILE 40 HB ILE 40 3.900 0.224 -1.603
4 HG12 ILE 40 1HG1 ILE 40 6.184 -0.619 0.179
5 HG13 ILE 40 2HG1 ILE 40 5.837 -1.420 -1.350
6 HG21 ILE 40 1HG2 ILE 40 4.707 0.766 1.236
7 HG22 ILE 40 2HG2 ILE 40 4.373 1.916 -0.057
8 HG23 ILE 40 3HG2 ILE 40 3.052 1.009 0.679
9 HD11 ILE 40 1HD1 ILE 40 6.118 1.529 -1.368
10 HD12 ILE 40 2HD1 ILE 40 7.573 0.554 -1.164
11 HD13 ILE 40 3HD1 ILE 40 6.559 0.338 -2.591
12 H ALA 41 H ALA 41 4.405 -1.748 -2.577
13 HA ALA 41 HA ALA 41 3.605 -2.327 -4.635
14 HB1 ALA 41 1HB ALA 41 3.545 -4.485 -3.319
15 HB2 ALA 41 2HB ALA 41 1.810 -4.221 -3.140
16 HB3 ALA 41 3HB ALA 41 2.511 -4.418 -4.746
17 H LEU 42 H LEU 42 2.544 -0.062 -4.364
18 HA LEU 42 HA LEU 42 -0.375 -0.343 -4.642
19 HB2 LEU 42 1HB LEU 42 1.302 1.990 -3.747
20 HB3 LEU 42 2HB LEU 42 -0.410 2.125 -4.146
21 HG LEU 42 HG LEU 42 0.705 0.381 -1.951
22 HD11 LEU 42 1HD1 LEU 42 1.001 2.850 -1.604
23 HD12 LEU 42 2HD1 LEU 42 0.009 2.032 -0.397
24 HD13 LEU 42 3HD1 LEU 42 -0.756 2.995 -1.660
25 HD21 LEU 42 1HD2 LEU 42 -1.307 -0.557 -1.983
26 HD22 LEU 42 2HD2 LEU 42 -1.862 0.556 -3.234
27 HD23 LEU 42 3HD2 LEU 42 -1.990 1.006 -1.533
28 HA PRO 43 HA PRO 43 1.301 0.745 -8.831
29 HB2 PRO 43 1HB PRO 43 -0.270 -1.017 -10.172
30 HB3 PRO 43 2HB PRO 43 1.297 -1.459 -9.483
31 HG2 PRO 43 1HG PRO 43 -1.451 -1.914 -8.385
32 HG3 PRO 43 2HG PRO 43 -0.065 -3.019 -8.425
33 HD2 PRO 43 1HD PRO 43 -0.759 -1.634 -6.205
34 HD3 PRO 43 2HD PRO 43 0.926 -2.046 -6.586
35 H ALA 44 H ALA 44 -0.061 2.667 -7.934
36 HA ALA 44 HA ALA 44 -2.315 2.999 -9.763
37 HB1 ALA 44 1HB ALA 44 -2.475 3.320 -6.781
38 HB2 ALA 44 2HB ALA 44 -3.597 4.129 -7.876
39 HB3 ALA 44 3HB ALA 44 -3.512 2.367 -7.844
40 H PHE 45 H PHE 45 -0.589 4.694 -7.136
41 HA PHE 45 HA PHE 45 -0.924 7.275 -8.136
42 HB2 PHE 45 1HB PHE 45 0.809 7.948 -6.613
43 HB3 PHE 45 2HB PHE 45 -0.124 6.674 -5.836
44 HD1 PHE 45 HD1 PHE 45 0.809 4.317 -5.876
45 HD2 PHE 45 HD2 PHE 45 3.115 7.750 -6.884
46 HE1 PHE 45 HE1 PHE 45 2.876 3.038 -5.491
47 HE2 PHE 45 HE2 PHE 45 5.185 6.477 -6.501
48 HZ PHE 45 HZ PHE 45 5.067 4.117 -5.804
49 H SER 46 H SER 46 1.135 4.738 -9.184
50 HA SER 46 HA SER 46 3.291 6.052 -10.297
51 HB2 SER 46 1HB SER 46 3.482 4.168 -11.839
52 HB3 SER 46 2HB SER 46 3.029 3.588 -10.236
53 HG SER 46 HG SER 46 1.795 2.659 -11.978
54 H GLN 47 H GLN 47 0.058 5.583 -11.657
55 HA GLN 47 HA GLN 47 0.054 7.970 -13.104
56 HB2 GLN 47 1HB GLN 47 1.427 5.789 -14.417
57 HB3 GLN 47 2HB GLN 47 0.024 6.294 -15.350
58 HG2 GLN 47 1HG GLN 47 0.864 8.394 -15.739
59 HG3 GLN 47 2HG GLN 47 1.901 8.360 -14.314
60 HE21 GLN 47 1HE2 GLN 47 4.375 6.291 -15.963
61 HE22 GLN 47 2HE2 GLN 47 3.476 6.336 -14.488
62 H VAL 48 H VAL 48 -2.018 7.999 -12.202
63 HA VAL 48 HA VAL 48 -4.006 6.553 -13.768
64 HB VAL 48 HB VAL 48 -3.875 6.413 -10.755
65 HG11 VAL 48 1HG1 VAL 48 -6.016 4.877 -11.556
66 HG12 VAL 48 2HG1 VAL 48 -6.107 6.471 -10.804
67 HG13 VAL 48 3HG1 VAL 48 -6.155 6.320 -12.561
68 HG21 VAL 48 1HG2 VAL 48 -2.513 4.773 -12.015
69 HG22 VAL 48 2HG2 VAL 48 -3.803 4.023 -11.076
70 HG23 VAL 48 3HG2 VAL 48 -3.980 4.216 -12.820
71 H ASP 49 H ASP 49 -3.822 8.608 -10.854
72 HA ASP 49 HA ASP 49 -5.160 10.773 -12.208
73 HB2 ASP 49 1HB ASP 49 -6.760 8.874 -10.910
74 HB3 ASP 49 2HB ASP 49 -6.674 10.238 -9.799
75 HA PRO 50 HA PRO 50 -2.303 12.515 -9.205
76 HB2 PRO 50 1HB PRO 50 -2.293 14.993 -10.313
77 HB3 PRO 50 2HB PRO 50 -1.346 13.648 -10.959
78 HG2 PRO 50 1HG PRO 50 -3.985 14.719 -11.880
79 HG3 PRO 50 2HG PRO 50 -2.586 14.211 -12.844
80 HD2 PRO 50 1HD PRO 50 -4.758 12.634 -12.485
81 HD3 PRO 50 2HD PRO 50 -3.120 11.976 -12.671
82 H GLU 51 H GLU 51 -5.490 13.618 -10.116
83 HA GLU 51 HA GLU 51 -5.733 15.625 -8.107
84 HB2 GLU 51 1HB GLU 51 -7.237 14.778 -10.307
85 HB3 GLU 51 2HB GLU 51 -8.264 14.471 -8.914
86 HG2 GLU 51 1HG GLU 51 -7.941 16.812 -8.204
87 HG3 GLU 51 2HG GLU 51 -7.005 17.098 -9.670
88 H VAL 52 H VAL 52 -6.145 12.190 -8.177
89 HA VAL 52 HA VAL 52 -7.738 12.047 -5.783
90 HB VAL 52 HB VAL 52 -7.052 10.253 -7.837
91 HG11 VAL 52 1HG1 VAL 52 -5.089 9.615 -6.502
92 HG12 VAL 52 2HG1 VAL 52 -6.152 9.215 -5.151
93 HG13 VAL 52 3HG1 VAL 52 -6.248 8.294 -6.652
94 HG21 VAL 52 1HG2 VAL 52 -8.815 8.964 -6.977
95 HG22 VAL 52 2HG2 VAL 52 -8.530 9.516 -5.327
96 HG23 VAL 52 3HG2 VAL 52 -9.210 10.621 -6.521
97 H PHE 53 H PHE 53 -4.345 11.944 -6.602
98 HA PHE 53 HA PHE 53 -3.356 10.812 -4.227
99 HB2 PHE 53 1HB PHE 53 -2.198 11.467 -6.532
100 HB3 PHE 53 2HB PHE 53 -1.766 12.911 -5.622
101 HD1 PHE 53 HD1 PHE 53 -1.688 9.197 -5.346
102 HD2 PHE 53 HD2 PHE 53 0.158 12.903 -4.357
103 HE1 PHE 53 HE1 PHE 53 0.194 7.984 -4.326
104 HE2 PHE 53 HE2 PHE 53 2.043 11.696 -3.337
105 HZ PHE 53 HZ PHE 53 2.064 9.233 -3.321
106 H ALA 54 H ALA 54 -3.767 14.218 -5.169
107 HA ALA 54 HA ALA 54 -2.851 15.325 -2.750
108 HB1 ALA 54 1HB ALA 54 -4.829 16.531 -4.680
109 HB2 ALA 54 2HB ALA 54 -3.838 17.393 -3.502
110 HB3 ALA 54 3HB ALA 54 -3.076 16.580 -4.868
111 H ALA 55 H ALA 55 -5.845 13.853 -3.623
112 HA ALA 55 HA ALA 55 -7.533 15.072 -1.712
113 HB1 ALA 55 1HB ALA 55 -7.861 12.265 -2.732
114 HB2 ALA 55 2HB ALA 55 -9.109 13.408 -2.235
115 HB3 ALA 55 3HB ALA 55 -8.209 13.679 -3.728
116 H LEU 56 H LEU 56 -5.388 12.282 -1.583
117 HA LEU 56 HA LEU 56 -6.255 11.475 1.036
118 HB2 LEU 56 1HB LEU 56 -3.634 10.620 -0.070
119 HB3 LEU 56 2HB LEU 56 -4.841 9.691 0.817
120 HG LEU 56 HG LEU 56 -4.942 10.471 -2.096
121 HD11 LEU 56 1HD1 LEU 56 -3.401 8.615 -1.431
122 HD12 LEU 56 2HD1 LEU 56 -4.683 8.149 -2.548
123 HD13 LEU 56 3HD1 LEU 56 -4.812 7.739 -0.838
124 HD21 LEU 56 1HD2 LEU 56 -7.011 9.495 -0.226
125 HD22 LEU 56 2HD2 LEU 56 -6.940 8.708 -1.803
126 HD23 LEU 56 3HD2 LEU 56 -7.169 10.454 -1.698
127 HA PRO 57 HA PRO 57 -3.660 13.941 3.574
128 HB2 PRO 57 1HB PRO 57 -2.973 12.196 5.537
129 HB3 PRO 57 2HB PRO 57 -4.596 12.879 5.383
130 HG2 PRO 57 1HG PRO 57 -3.575 10.204 4.508
131 HG3 PRO 57 2HG PRO 57 -5.102 10.610 5.313
132 HD2 PRO 57 1HD PRO 57 -4.935 10.157 2.648
133 HD3 PRO 57 2HD PRO 57 -6.098 11.299 3.352
134 H ALA 58 H ALA 58 -1.573 14.566 3.652
135 HA ALA 58 HA ALA 58 0.398 13.443 2.092
136 HB1 ALA 58 1HB ALA 58 0.212 15.584 3.979
137 HB2 ALA 58 2HB ALA 58 1.738 14.728 4.205
138 HB3 ALA 58 3HB ALA 58 1.323 15.387 2.623
139 H GLU 59 H GLU 59 -0.469 12.695 5.398
140 HA GLU 59 HA GLU 59 1.823 11.307 6.191
141 HB2 GLU 59 1HB GLU 59 0.117 11.901 7.794
142 HB3 GLU 59 2HB GLU 59 -1.068 10.901 6.965
143 HG2 GLU 59 1HG GLU 59 -0.250 9.838 8.998
144 HG3 GLU 59 2HG GLU 59 0.159 8.900 7.564
145 H LEU 60 H LEU 60 -1.009 10.236 4.380
146 HA LEU 60 HA LEU 60 -0.017 7.514 4.226
147 HB2 LEU 60 1HB LEU 60 -2.295 7.445 4.363
148 HB3 LEU 60 2HB LEU 60 -2.504 8.935 3.445
149 HG LEU 60 HG LEU 60 -1.481 6.603 1.942
150 HD11 LEU 60 1HD1 LEU 60 -4.298 6.747 2.998
151 HD12 LEU 60 2HD1 LEU 60 -3.115 5.471 3.282
152 HD13 LEU 60 3HD1 LEU 60 -3.781 5.712 1.667
153 HD21 LEU 60 1HD2 LEU 60 -2.173 7.834 0.226
154 HD22 LEU 60 2HD2 LEU 60 -2.522 9.123 1.379
155 HD23 LEU 60 3HD2 LEU 60 -3.791 7.991 0.909
156 H GLN 61 H GLN 61 -0.408 10.320 2.127
157 HA GLN 61 HA GLN 61 0.344 9.049 -0.282
158 HB2 GLN 61 1HB GLN 61 -0.123 11.045 -1.177
159 HB3 GLN 61 2HB GLN 61 -0.557 11.566 0.445
160 HG2 GLN 61 1HG GLN 61 1.588 12.512 0.808
161 HG3 GLN 61 2HG GLN 61 2.229 11.775 -0.660
162 HE21 GLN 61 1HE2 GLN 61 -0.548 14.681 -1.356
163 HE22 GLN 61 2HE2 GLN 61 -0.874 13.380 -0.268
164 H ARG 62 H ARG 62 2.151 10.238 2.408
165 HA ARG 62 HA ARG 62 4.657 10.334 0.951
166 HB2 ARG 62 1HB ARG 62 5.631 11.155 2.942
167 HB3 ARG 62 2HB ARG 62 4.038 11.894 2.859
168 HG2 ARG 62 1HG ARG 62 3.753 11.203 4.949
169 HG3 ARG 62 2HG ARG 62 3.596 9.575 4.285
170 HD2 ARG 62 1HD ARG 62 5.954 9.173 4.601
171 HD3 ARG 62 2HD ARG 62 6.202 10.839 5.124
172 HE ARG 62 HE ARG 62 4.329 9.785 6.844
173 HH11 ARG 62 1HH1 ARG 62 7.607 9.061 5.923
174 HH12 ARG 62 2HH1 ARG 62 8.030 8.388 7.462
175 HH21 ARG 62 1HH2 ARG 62 4.873 8.902 8.876
176 HH22 ARG 62 2HH2 ARG 62 6.474 8.297 9.141
177 H GLU 63 H GLU 63 2.831 8.078 2.796
178 HA GLU 63 HA GLU 63 5.001 6.403 3.595
179 HB2 GLU 63 1HB GLU 63 2.962 6.281 4.845
180 HB3 GLU 63 2HB GLU 63 2.028 5.930 3.398
181 HG2 GLU 63 1HG GLU 63 2.507 3.745 3.462
182 HG3 GLU 63 2HG GLU 63 4.179 4.021 3.946
183 H LEU 64 H LEU 64 2.977 6.653 0.765
184 HA LEU 64 HA LEU 64 3.851 4.117 -0.319
185 HB2 LEU 64 1HB LEU 64 2.429 4.575 -2.156
186 HB3 LEU 64 2HB LEU 64 1.576 5.079 -0.698
187 HG LEU 64 HG LEU 64 2.654 7.428 -1.397
188 HD11 LEU 64 1HD1 LEU 64 2.789 5.725 -3.790
189 HD12 LEU 64 2HD1 LEU 64 3.682 7.190 -3.382
190 HD13 LEU 64 3HD1 LEU 64 2.044 7.307 -4.024
191 HD21 LEU 64 1HD2 LEU 64 0.201 6.561 -1.106
192 HD22 LEU 64 2HD2 LEU 64 0.203 6.580 -2.870
193 HD23 LEU 64 3HD2 LEU 64 0.522 8.064 -1.971
194 H LYS 65 H LYS 65 4.486 7.548 -0.833
195 HA LYS 65 HA LYS 65 6.150 7.214 -3.108
196 HB2 LYS 65 1HB LYS 65 6.031 9.473 -1.102
197 HB3 LYS 65 2HB LYS 65 6.868 9.536 -2.647
198 HG2 LYS 65 1HG LYS 65 4.871 9.504 -3.862
199 HG3 LYS 65 2HG LYS 65 3.934 8.946 -2.474
200 HD2 LYS 65 1HD LYS 65 3.407 11.077 -2.091
201 HD3 LYS 65 2HD LYS 65 5.093 11.340 -1.641
202 HE2 LYS 65 1HE LYS 65 5.643 11.952 -3.912
203 HE3 LYS 65 2HE LYS 65 4.008 11.566 -4.446
204 HZ1 LYS 65 1HZ LYS 65 3.213 13.333 -2.918
205 HZ2 LYS 65 2HZ LYS 65 4.172 13.910 -4.185
206 HZ3 LYS 65 3HZ LYS 65 4.822 13.766 -2.630
207 H ALA 66 H ALA 66 6.784 7.437 0.361
208 HA ALA 66 HA ALA 66 9.630 7.385 0.086
209 HB1 ALA 66 1HB ALA 66 8.194 8.260 2.054
210 HB2 ALA 66 2HB ALA 66 8.207 6.580 2.591
211 HB3 ALA 66 3HB ALA 66 9.726 7.456 2.399
212 H ALA 67 H ALA 67 7.206 4.969 1.066
213 HA ALA 67 HA ALA 67 8.845 2.825 1.597
214 HB1 ALA 67 1HB ALA 67 6.138 2.808 0.269
215 HB2 ALA 67 2HB ALA 67 6.936 1.391 0.952
216 HB3 ALA 67 3HB ALA 67 6.470 2.731 2.000
217 H TYR 68 H TYR 68 7.627 3.901 -1.553
218 HA TYR 68 HA TYR 68 8.656 1.782 -3.080
219 HB2 TYR 68 1HB TYR 68 7.532 4.439 -3.592
220 HB3 TYR 68 2HB TYR 68 8.716 3.937 -4.794
221 HD1 TYR 68 HD1 TYR 68 5.678 2.684 -3.024
222 HD2 TYR 68 HD2 TYR 68 8.034 2.605 -6.566
223 HE1 TYR 68 HE1 TYR 68 3.965 1.306 -4.125
224 HE2 TYR 68 HE2 TYR 68 6.327 1.227 -7.677
225 HH TYR 68 HH TYR 68 4.513 -0.298 -7.073
226 H ASP 69 H ASP 69 10.124 4.699 -1.843
227 HA ASP 69 HA ASP 69 12.514 4.426 -3.439
228 HB2 ASP 69 1HB ASP 69 11.468 6.607 -2.487
229 HB3 ASP 69 2HB ASP 69 12.296 6.162 -0.997
230 H GLN 70 H GLN 70 11.517 3.757 -0.123
231 HA GLN 70 HA GLN 70 13.941 3.195 1.058
232 HB2 GLN 70 1HB GLN 70 11.266 1.849 1.450
233 HB3 GLN 70 2HB GLN 70 12.653 1.585 2.499
234 HG2 GLN 70 1HG GLN 70 11.059 4.093 2.110
235 HG3 GLN 70 2HG GLN 70 11.323 3.174 3.591
236 HE21 GLN 70 1HE2 GLN 70 13.827 6.114 2.514
237 HE22 GLN 70 2HE2 GLN 70 12.390 5.721 1.640
238 H ARG 71 H ARG 71 11.832 0.899 -0.669
239 HA ARG 71 HA ARG 71 14.063 -0.998 -0.782
240 HB2 ARG 71 1HB ARG 71 12.360 -2.638 -1.498
241 HB3 ARG 71 2HB ARG 71 11.975 -1.908 0.055
242 HG2 ARG 71 1HG ARG 71 10.692 -0.263 -1.734
243 HG3 ARG 71 2HG ARG 71 10.498 -1.867 -2.446
244 HD2 ARG 71 1HD ARG 71 10.034 -1.689 0.458
245 HD3 ARG 71 2HD ARG 71 8.867 -0.839 -0.554
246 HE ARG 71 HE ARG 71 9.101 -3.654 -0.217
247 HH11 ARG 71 1HH1 ARG 71 8.285 -1.186 -2.533
248 HH12 ARG 71 2HH1 ARG 71 7.240 -2.215 -3.456
249 HH21 ARG 71 1HH2 ARG 71 7.727 -5.018 -1.424
250 HH22 ARG 71 2HH2 ARG 71 6.922 -4.394 -2.824
251 H GLN 72 H GLN 72 14.419 1.195 -2.386
252 HA GLN 72 HA GLN 72 13.780 0.224 -5.090
253 HB2 GLN 72 1HB GLN 72 13.297 2.692 -4.048
254 HB3 GLN 72 2HB GLN 72 14.867 2.948 -4.798
255 HG2 GLN 72 1HG GLN 72 13.172 1.513 -6.598
256 HG3 GLN 72 2HG GLN 72 12.340 2.955 -6.019
257 HE21 GLN 72 1HE2 GLN 72 14.269 5.192 -7.832
258 HE22 GLN 72 2HE2 GLN 72 13.010 4.936 -6.677