Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
1574 | 1apq RC | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ALA 23 3H ALA 23 -13.040 15.618 -1.319
2 2H ALA 23 2H ALA 23 -13.341 14.229 -0.540
3 3H ALA 23 1H ALA 23 -14.375 14.706 -1.770
4 HA ALA 23 HA ALA 23 -15.049 16.608 -0.486
5 1HB ALA 23 2HB ALA 23 -16.218 14.451 0.018
6 2HB ALA 23 1HB ALA 23 -15.035 14.125 1.302
7 3HB ALA 23 3HB ALA 23 -16.139 15.516 1.426
8 H VAL 24 H VAL 24 -14.598 16.245 2.614
9 HA VAL 24 HA VAL 24 -12.331 17.942 2.895
10 HB VAL 24 HB VAL 24 -13.562 15.973 4.885
11 1HG1 VAL 24 2HG2 VAL 24 -11.752 18.391 5.329
12 2HG1 VAL 24 3HG2 VAL 24 -12.566 17.466 6.607
13 3HG1 VAL 24 1HG2 VAL 24 -11.320 16.693 5.622
14 1HG2 VAL 24 2HG1 VAL 24 -14.096 18.942 4.407
15 2HG2 VAL 24 1HG1 VAL 24 -15.233 17.617 4.083
16 3HG2 VAL 24 3HG1 VAL 24 -14.757 17.980 5.744
17 H ASP 25 H ASP 25 -12.777 14.439 2.896
18 HA ASP 25 HA ASP 25 -9.861 14.001 2.482
19 1HB ASP 25 2HB ASP 25 -11.096 13.116 4.698
20 2HB ASP 25 1HB ASP 25 -11.624 11.826 3.610
21 H LEU 26 H LEU 26 -9.805 11.625 1.351
22 HA LEU 26 HA LEU 26 -11.902 11.186 -0.588
23 1HB LEU 26 1HB LEU 26 -10.711 11.704 -2.571
24 2HB LEU 26 2HB LEU 26 -10.713 13.158 -1.580
25 HG LEU 26 HG LEU 26 -8.373 11.232 -1.977
26 1HD1 LEU 26 2HD2 LEU 26 -8.954 12.619 -3.943
27 2HD1 LEU 26 3HD2 LEU 26 -8.859 14.082 -2.942
28 3HD1 LEU 26 1HD2 LEU 26 -7.403 13.112 -3.238
29 1HD2 LEU 26 2HD1 LEU 26 -8.520 13.830 -0.380
30 2HD2 LEU 26 3HD1 LEU 26 -8.089 12.218 0.239
31 3HD2 LEU 26 1HD1 LEU 26 -7.010 13.040 -0.879
32 H ASP 27 H ASP 27 -11.047 9.372 -2.230
33 HA ASP 27 HA ASP 27 -10.016 7.298 -0.460
34 1HB ASP 27 2HB ASP 27 -10.496 5.803 -2.325
35 2HB ASP 27 1HB ASP 27 -11.904 6.752 -1.840
36 H GLU 28 H GLU 28 -7.965 8.288 -0.120
37 HA GLU 28 HA GLU 28 -6.103 8.864 -2.168
38 1HB GLU 28 2HB GLU 28 -5.613 8.035 0.703
39 2HB GLU 28 1HB GLU 28 -4.356 8.566 -0.437
40 1HG GLU 28 2HG GLU 28 -5.675 10.688 -0.826
41 2HG GLU 28 1HG GLU 28 -6.786 10.185 0.458
42 H CYS 29 H CYS 29 -7.151 5.699 -1.079
43 HA CYS 29 HA CYS 29 -5.021 4.101 -2.046
44 1HB CYS 29 1HB CYS 29 -7.043 3.167 -0.971
45 2HB CYS 29 2HB CYS 29 -8.020 3.746 -2.331
46 H ALA 30 H ALA 30 -7.504 5.944 -3.768
47 HA ALA 30 HA ALA 30 -6.582 4.991 -6.431
48 1HB ALA 30 1HB ALA 30 -9.035 5.116 -5.908
49 2HB ALA 30 3HB ALA 30 -8.864 6.850 -5.594
50 3HB ALA 30 2HB ALA 30 -8.565 6.224 -7.217
51 H SER 31 H SER 31 -7.193 7.944 -4.557
52 HA SER 31 HA SER 31 -6.095 9.728 -6.492
53 1HB SER 31 2HB SER 31 -6.679 10.460 -3.614
54 2HB SER 31 1HB SER 31 -6.861 11.416 -5.083
55 HG SER 31 HG SER 31 -8.449 9.200 -4.218
56 H ARG 32 H ARG 32 -3.938 8.111 -6.139
57 HA ARG 32 HA ARG 32 -2.083 9.255 -4.145
58 1HB ARG 32 1HB ARG 32 -1.565 7.295 -6.415
59 2HB ARG 32 2HB ARG 32 -0.467 7.686 -5.076
60 1HG ARG 32 1HG ARG 32 -2.212 6.848 -3.462
61 2HG ARG 32 2HG ARG 32 -3.213 6.393 -4.854
62 1HD ARG 32 2HD ARG 32 -1.205 4.989 -5.637
63 2HD ARG 32 1HD ARG 32 -0.568 5.202 -3.986
64 HE ARG 32 HE ARG 32 -3.356 4.409 -4.027
65 1HH1 ARG 32 2HH2 ARG 32 -0.189 3.008 -4.618
66 2HH1 ARG 32 1HH2 ARG 32 -0.732 1.357 -4.470
67 1HH2 ARG 32 2HH1 ARG 32 -4.130 2.390 -4.071
68 2HH2 ARG 32 1HH1 ARG 32 -3.083 0.979 -4.122
69 H SER 33 H SER 33 -2.884 11.392 -5.349
70 HA SER 33 HA SER 33 -2.428 13.181 -6.707
71 1HB SER 33 2HB SER 33 -0.295 13.102 -5.435
72 2HB SER 33 1HB SER 33 0.422 12.064 -6.681
73 HG SER 33 HG SER 33 0.855 14.366 -6.895
74 H LYS 34 H LYS 34 -0.375 13.129 -8.879
75 HA LYS 34 HA LYS 34 -2.002 11.832 -10.978
76 1HB LYS 34 2HB LYS 34 0.672 13.275 -11.175
77 2HB LYS 34 1HB LYS 34 -0.407 12.858 -12.512
78 1HG LYS 34 1HG LYS 34 -0.979 14.855 -10.267
79 2HG LYS 34 2HG LYS 34 -0.567 15.221 -11.945
80 1HD LYS 34 1HD LYS 34 -2.659 14.029 -12.685
81 2HD LYS 34 2HD LYS 34 -3.103 13.822 -10.975
82 1HE LYS 34 1HE LYS 34 -3.063 16.285 -10.661
83 2HE LYS 34 2HE LYS 34 -2.647 16.497 -12.373
84 1HZ LYS 34 1HZ LYS 34 -5.101 15.252 -11.349
85 2HZ LYS 34 3HZ LYS 34 -4.974 16.766 -11.985
86 3HZ LYS 34 2HZ LYS 34 -4.715 15.448 -12.939
87 H SER 35 H SER 35 -1.503 9.806 -9.467
88 HA SER 35 HA SER 35 -0.526 7.758 -9.215
89 1HB SER 35 1HB SER 35 0.458 8.165 -12.074
90 2HB SER 35 2HB SER 35 0.268 6.627 -11.223
91 HG SER 35 HG SER 35 -1.838 8.474 -11.726
92 H GLY 36 H GLY 36 0.831 9.568 -7.901
93 1HA GLY 36 2HA GLY 36 3.581 9.970 -8.738
94 2HA GLY 36 1HA GLY 36 2.849 10.417 -7.196
95 H GLU 37 H GLU 37 3.412 7.238 -8.824
96 HA GLU 37 HA GLU 37 4.337 6.071 -6.269
97 1HB GLU 37 1HB GLU 37 3.945 4.915 -9.057
98 2HB GLU 37 2HB GLU 37 4.619 4.013 -7.697
99 1HG GLU 37 2HG GLU 37 2.298 3.476 -7.818
100 2HG GLU 37 1HG GLU 37 2.573 4.427 -6.358
101 H GLU 38 H GLU 38 5.961 8.092 -6.654
102 HA GLU 38 HA GLU 38 8.385 7.369 -8.182
103 1HB GLU 38 2HB GLU 38 7.760 9.683 -6.293
104 2HB GLU 38 1HB GLU 38 9.227 9.510 -7.268
105 1HG GLU 38 1HG GLU 38 7.879 9.561 -9.346
106 2HG GLU 38 2HG GLU 38 6.391 9.715 -8.399
107 H ASP 39 H ASP 39 8.223 5.245 -6.840
108 HA ASP 39 HA ASP 39 10.205 5.255 -4.739
109 1HB ASP 39 2HB ASP 39 8.499 6.006 -3.280
110 2HB ASP 39 1HB ASP 39 7.255 5.050 -4.093
111 HA PRO 40 HA PRO 40 9.809 1.439 -7.148
112 1HB PRO 40 2HB PRO 40 12.237 0.368 -6.832
113 2HB PRO 40 1HB PRO 40 11.991 1.928 -7.677
114 1HG PRO 40 1HG PRO 40 12.782 1.557 -4.768
115 2HG PRO 40 2HG PRO 40 13.633 2.529 -6.006
116 1HD PRO 40 1HD PRO 40 11.785 3.619 -4.304
117 2HD PRO 40 2HD PRO 40 11.933 4.178 -5.999
118 H GLN 41 H GLN 41 8.105 1.066 -5.402
119 HA GLN 41 HA GLN 41 8.639 -1.526 -4.109
120 1HB GLN 41 1HB GLN 41 7.352 0.863 -2.704
121 2HB GLN 41 2HB GLN 41 7.386 -0.781 -2.073
122 1HG GLN 41 2HG GLN 41 9.887 -0.701 -2.040
123 2HG GLN 41 1HG GLN 41 9.815 1.005 -2.499
124 1HE2 GLN 41 2HE2 GLN 41 8.189 1.912 0.704
125 2HE2 GLN 41 1HE2 GLN 41 7.932 2.197 -1.010
126 HA PRO 42 HA PRO 42 4.518 -1.863 -5.918
127 1HB PRO 42 2HB PRO 42 3.464 -4.025 -4.670
128 2HB PRO 42 1HB PRO 42 4.853 -4.162 -5.783
129 1HG PRO 42 1HG PRO 42 4.933 -4.043 -2.756
130 2HG PRO 42 2HG PRO 42 5.773 -5.197 -3.827
131 1HD PRO 42 2HD PRO 42 6.995 -2.955 -2.824
132 2HD PRO 42 1HD PRO 42 7.372 -3.577 -4.455
133 H GLN 43 H GLN 43 3.725 0.215 -5.086
134 HA GLN 43 HA GLN 43 2.953 0.617 -2.419
135 1HB GLN 43 1HB GLN 43 1.851 1.962 -4.900
136 2HB GLN 43 2HB GLN 43 1.470 2.407 -3.230
137 1HG GLN 43 1HG GLN 43 3.154 3.903 -3.862
138 2HG GLN 43 2HG GLN 43 3.909 2.738 -2.766
139 1HE2 GLN 43 2HE2 GLN 43 6.475 2.690 -5.218
140 2HE2 GLN 43 1HE2 GLN 43 6.034 3.195 -3.595
141 H CYS 44 H CYS 44 1.772 -0.981 -1.461
142 HA CYS 44 HA CYS 44 -0.168 -1.728 -0.554
143 1HB CYS 44 1HB CYS 44 -1.181 0.480 -1.531
144 2HB CYS 44 2HB CYS 44 -1.900 -0.579 -2.745
145 H GLN 45 H GLN 45 1.391 -3.320 -1.805
146 HA GLN 45 HA GLN 45 1.043 -4.719 -3.991
147 1HB GLN 45 2HB GLN 45 2.571 -4.962 -1.964
148 2HB GLN 45 1HB GLN 45 1.401 -6.134 -1.331
149 1HG GLN 45 1HG GLN 45 1.731 -7.427 -3.513
150 2HG GLN 45 2HG GLN 45 2.955 -6.210 -3.938
151 1HE2 GLN 45 1HE2 GLN 45 4.115 -9.157 -1.600
152 2HE2 GLN 45 2HE2 GLN 45 2.858 -9.286 -2.837
153 H HIS 46 H HIS 46 -1.017 -5.330 -1.111
154 HA HIS 46 HA HIS 46 -2.610 -7.334 -2.675
155 1HB HIS 46 2HB HIS 46 -2.197 -6.874 0.257
156 2HB HIS 46 1HB HIS 46 -3.519 -7.874 -0.378
157 HD2 HIS 46 HD2 HIS 46 -0.151 -8.407 -2.226
158 HE1 HIS 46 HE1 HIS 46 -0.634 -11.525 0.586
159 HE2 HIS 46 HE2 HIS 46 0.775 -10.710 -1.377
160 H LEU 47 H LEU 47 -3.703 -5.329 0.136
161 HA LEU 47 HA LEU 47 -5.514 -3.912 -1.736
162 1HB LEU 47 1HB LEU 47 -7.531 -4.593 -0.485
163 2HB LEU 47 2HB LEU 47 -6.726 -5.875 -1.377
164 HG LEU 47 HG LEU 47 -5.654 -6.614 0.849
165 1HD1 LEU 47 2HD1 LEU 47 -7.847 -4.767 1.910
166 2HD1 LEU 47 1HD1 LEU 47 -7.055 -6.047 2.853
167 3HD1 LEU 47 3HD1 LEU 47 -6.111 -4.674 2.274
168 1HD2 LEU 47 1HD2 LEU 47 -8.671 -6.766 0.477
169 2HD2 LEU 47 2HD2 LEU 47 -7.467 -7.820 -0.297
170 3HD2 LEU 47 3HD2 LEU 47 -7.681 -7.869 1.459
171 H CYS 48 H CYS 48 -6.711 -2.212 -0.925
172 HA CYS 48 HA CYS 48 -5.223 -0.599 1.060
173 1HB CYS 48 2HB CYS 48 -7.521 0.138 -0.768
174 2HB CYS 48 1HB CYS 48 -6.545 1.216 0.241
175 H HIS 49 H HIS 49 -6.558 0.850 2.384
176 HA HIS 49 HA HIS 49 -9.393 0.270 2.897
177 1HB HIS 49 1HB HIS 49 -7.210 0.281 5.012
178 2HB HIS 49 2HB HIS 49 -8.939 0.542 5.337
179 HD2 HIS 49 HD2 HIS 49 -6.493 -2.375 4.439
180 HE1 HIS 49 HE1 HIS 49 -10.333 -4.001 5.185
181 HE2 HIS 49 HE2 HIS 49 -7.898 -4.587 4.736
182 H ASN 50 H ASN 50 -10.294 2.286 2.721
183 HA ASN 50 HA ASN 50 -8.525 4.700 2.799
184 1HB ASN 50 2HB ASN 50 -11.325 4.357 1.693
185 2HB ASN 50 1HB ASN 50 -10.431 5.874 1.768
186 1HD2 ASN 50 2HD2 ASN 50 -9.765 3.343 -1.307
187 2HD2 ASN 50 1HD2 ASN 50 -11.009 3.098 -0.100
188 H TYR 51 H TYR 51 -9.061 6.452 4.236
189 HA TYR 51 HA TYR 51 -11.290 6.307 6.022
190 1HB TYR 51 2HB TYR 51 -10.328 5.630 8.024
191 2HB TYR 51 1HB TYR 51 -9.744 4.432 6.903
192 HD1 TYR 51 HD2 TYR 51 -7.410 6.176 5.703
193 HD2 TYR 51 HD1 TYR 51 -8.724 5.390 9.734
194 HE1 TYR 51 HE2 TYR 51 -5.154 6.700 6.536
195 HE2 TYR 51 HE1 TYR 51 -6.469 5.928 10.564
196 HH TYR 51 HH TYR 51 -4.336 6.610 10.010
197 H VAL 52 H VAL 52 -10.598 7.858 8.070
198 HA VAL 52 HA VAL 52 -10.029 10.392 6.838
199 HB VAL 52 HB VAL 52 -10.063 11.300 9.113
200 1HG1 VAL 52 3HG1 VAL 52 -12.079 10.888 7.750
201 2HG1 VAL 52 1HG1 VAL 52 -12.271 9.292 8.507
202 3HG1 VAL 52 2HG1 VAL 52 -12.408 10.769 9.494
203 1HG2 VAL 52 1HG2 VAL 52 -10.360 8.394 10.018
204 2HG2 VAL 52 2HG2 VAL 52 -9.006 9.481 10.384
205 3HG2 VAL 52 3HG2 VAL 52 -10.616 9.832 11.026
206 H GLY 53 H GLY 53 -8.160 11.501 6.658
207 1HA GLY 53 1HA GLY 53 -5.858 11.961 7.114
208 2HA GLY 53 2HA GLY 53 -5.642 10.352 7.821
209 H GLY 54 H GLY 54 -7.580 9.449 5.383
210 1HA GLY 54 2HA GLY 54 -7.022 9.715 2.926
211 2HA GLY 54 1HA GLY 54 -5.357 9.359 3.345
212 H TYR 55 H TYR 55 -4.715 7.288 3.769
213 HA TYR 55 HA TYR 55 -6.614 5.125 3.895
214 1HB TYR 55 2HB TYR 55 -6.386 4.125 1.849
215 2HB TYR 55 1HB TYR 55 -6.447 5.796 1.373
216 HD1 TYR 55 HD2 TYR 55 -3.739 6.834 1.498
217 HD2 TYR 55 HD1 TYR 55 -4.955 2.782 0.666
218 HE1 TYR 55 HE2 TYR 55 -1.718 6.498 0.109
219 HE2 TYR 55 HE1 TYR 55 -2.971 2.473 -0.759
220 HH TYR 55 HH TYR 55 -1.367 3.857 -2.059
221 H PHE 56 H PHE 56 -5.559 3.023 3.766
222 HA PHE 56 HA PHE 56 -2.716 2.829 4.286
223 1HB PHE 56 1HB PHE 56 -2.971 1.524 6.347
224 2HB PHE 56 2HB PHE 56 -3.505 3.154 6.550
225 HD1 PHE 56 HD1 PHE 56 -6.070 3.637 6.471
226 HD2 PHE 56 HD2 PHE 56 -4.397 -0.315 6.922
227 HE1 PHE 56 HE1 PHE 56 -8.189 2.847 7.457
228 HE2 PHE 56 HE2 PHE 56 -6.521 -1.094 7.907
229 HZ PHE 56 HZ PHE 56 -8.412 0.489 8.226
230 H CYS 57 H CYS 57 -2.720 0.196 4.876
231 HA CYS 57 HA CYS 57 -4.266 -1.196 2.786
232 1HB CYS 57 2HB CYS 57 -1.233 -1.165 2.941
233 2HB CYS 57 1HB CYS 57 -2.172 -2.197 1.869
234 H SER 58 H SER 58 -3.698 -3.518 2.782
235 HA SER 58 HA SER 58 -2.716 -4.707 5.209
236 1HB SER 58 1HB SER 58 -5.059 -4.160 5.913
237 2HB SER 58 2HB SER 58 -5.664 -5.130 4.559
238 HG SER 58 HG SER 58 -4.216 -5.941 6.857
239 H CYS 59 H CYS 59 -3.849 -7.197 4.752
240 HA CYS 59 HA CYS 59 -2.993 -7.867 1.987
241 1HB CYS 59 2HB CYS 59 -1.657 -9.161 4.403
242 2HB CYS 59 1HB CYS 59 -1.191 -9.349 2.733
243 H ARG 60 H ARG 60 -3.142 -10.136 1.487
244 HA ARG 60 HA ARG 60 -5.589 -11.391 2.359
245 1HB ARG 60 1HB ARG 60 -4.571 -11.584 0.123
246 2HB ARG 60 2HB ARG 60 -3.170 -12.414 0.793
247 1HG ARG 60 2HG ARG 60 -6.024 -13.513 0.896
248 2HG ARG 60 1HG ARG 60 -4.865 -13.817 -0.405
249 1HD ARG 60 1HD ARG 60 -3.245 -14.682 1.401
250 2HD ARG 60 2HD ARG 60 -4.670 -14.741 2.465
251 HE ARG 60 HE ARG 60 -5.320 -16.066 0.069
252 1HH1 ARG 60 1HH1 ARG 60 -3.240 -16.383 2.918
253 2HH1 ARG 60 2HH1 ARG 60 -3.205 -18.125 2.876
254 1HH2 ARG 60 2HH2 ARG 60 -5.294 -18.356 0.011
255 2HH2 ARG 60 1HH2 ARG 60 -4.403 -19.268 1.199
256 HA PRO 61 HA PRO 61 -3.911 -12.933 6.213
257 1HB PRO 61 2HB PRO 61 -5.356 -15.482 5.551
258 2HB PRO 61 1HB PRO 61 -5.298 -14.625 7.113
259 1HG PRO 61 2HG PRO 61 -7.475 -14.307 5.508
260 2HG PRO 61 1HG PRO 61 -6.755 -12.904 6.348
261 1HD PRO 61 2HD PRO 61 -6.495 -13.667 3.451
262 2HD PRO 61 1HD PRO 61 -6.617 -12.054 4.213
263 H GLY 62 H GLY 62 -2.444 -14.512 7.105
264 1HA GLY 62 1HA GLY 62 -0.693 -16.078 6.969
265 2HA GLY 62 2HA GLY 62 -0.984 -16.307 5.237
266 H TYR 63 H TYR 63 -0.936 -13.667 4.259
267 HA TYR 63 HA TYR 63 1.875 -13.008 4.483
268 1HB TYR 63 2HB TYR 63 -0.427 -11.922 2.848
269 2HB TYR 63 1HB TYR 63 1.096 -11.072 2.943
270 HD1 TYR 63 HD2 TYR 63 -0.083 -14.602 2.249
271 HD2 TYR 63 HD1 TYR 63 2.546 -11.352 1.180
272 HE1 TYR 63 HE2 TYR 63 0.796 -15.928 0.364
273 HE2 TYR 63 HE1 TYR 63 3.423 -12.687 -0.709
274 HH TYR 63 HH TYR 63 2.261 -15.988 -1.422
275 H GLU 64 H GLU 64 2.381 -10.566 4.669
276 HA GLU 64 HA GLU 64 0.880 -9.277 6.878
277 1HB GLU 64 1HB GLU 64 3.724 -10.357 6.957
278 2HB GLU 64 2HB GLU 64 3.242 -9.068 8.027
279 1HG GLU 64 2HG GLU 64 2.060 -11.896 7.920
280 2HG GLU 64 1HG GLU 64 3.152 -11.255 9.146
281 H LEU 65 H LEU 65 1.125 -7.094 6.837
282 HA LEU 65 HA LEU 65 2.388 -5.959 4.477
283 1HB LEU 65 1HB LEU 65 0.162 -5.187 5.566
284 2HB LEU 65 2HB LEU 65 1.165 -4.484 6.834
285 HG LEU 65 HG LEU 65 2.391 -3.223 4.929
286 1HD1 LEU 65 3HD1 LEU 65 -0.124 -4.084 3.415
287 2HD1 LEU 65 2HD1 LEU 65 1.007 -2.825 2.890
288 3HD1 LEU 65 1HD1 LEU 65 1.547 -4.500 2.984
289 1HD2 LEU 65 1HD2 LEU 65 -0.551 -2.697 5.514
290 2HD2 LEU 65 3HD2 LEU 65 0.828 -2.143 6.488
291 3HD2 LEU 65 2HD2 LEU 65 0.579 -1.497 4.852
292 H GLN 66 H GLN 66 4.478 -5.290 4.436
293 HA GLN 66 HA GLN 66 6.139 -5.657 6.792
294 1HB GLN 66 2HB GLN 66 6.863 -4.428 4.106
295 2HB GLN 66 1HB GLN 66 7.975 -5.108 5.300
296 1HG GLN 66 1HG GLN 66 5.922 -6.666 3.661
297 2HG GLN 66 2HG GLN 66 7.668 -6.618 3.449
298 1HE2 GLN 66 1HE2 GLN 66 6.044 -9.253 6.085
299 2HE2 GLN 66 2HE2 GLN 66 5.020 -8.053 5.333
300 H GLU 67 H GLU 67 7.810 -3.913 7.290
301 HA GLU 67 HA GLU 67 6.598 -1.768 8.549
302 1HB GLU 67 2HB GLU 67 8.797 -0.961 9.040
303 2HB GLU 67 1HB GLU 67 8.830 -2.724 9.099
304 1HG GLU 67 2HG GLU 67 9.915 -0.921 6.879
305 2HG GLU 67 1HG GLU 67 10.846 -1.891 8.019
306 H ASP 68 H ASP 68 7.514 -1.917 5.243
307 HA ASP 68 HA ASP 68 7.772 0.917 4.740
308 1HB ASP 68 2HB ASP 68 7.924 0.394 2.492
309 2HB ASP 68 1HB ASP 68 8.659 -1.009 3.264
310 H ARG 69 H ARG 69 5.128 -1.193 5.309
311 HA ARG 69 HA ARG 69 2.967 -1.065 5.279
312 1HB ARG 69 1HB ARG 69 3.504 1.920 5.473
313 2HB ARG 69 2HB ARG 69 1.900 1.166 5.618
314 1HG ARG 69 2HG ARG 69 2.640 -0.301 7.357
315 2HG ARG 69 1HG ARG 69 4.286 0.329 7.316
316 1HD ARG 69 2HD ARG 69 1.789 1.640 8.378
317 2HD ARG 69 1HD ARG 69 3.348 1.440 9.184
318 HE ARG 69 HE ARG 69 2.436 3.660 7.684
319 1HH1 ARG 69 1HH1 ARG 69 5.504 1.787 7.835
320 2HH1 ARG 69 2HH1 ARG 69 6.465 3.199 7.600
321 1HH2 ARG 69 2HH2 ARG 69 3.747 5.427 7.290
322 2HH2 ARG 69 1HH2 ARG 69 5.480 5.265 7.224
323 H HIS 70 H HIS 70 3.957 -1.593 2.930
324 HA HIS 70 HA HIS 70 1.724 -0.831 1.288
325 1HB HIS 70 1HB HIS 70 4.447 0.365 0.858
326 2HB HIS 70 2HB HIS 70 3.735 -0.313 -0.587
327 HD2 HIS 70 HD2 HIS 70 0.578 0.879 0.295
328 HE1 HIS 70 HE1 HIS 70 2.575 4.482 -0.646
329 HE2 HIS 70 HE2 HIS 70 0.286 3.405 -0.360
330 H SER 71 H SER 71 4.751 -2.553 1.668
331 HA SER 71 HA SER 71 4.078 -4.475 -0.487
332 1HB SER 71 1HB SER 71 6.394 -3.686 -0.363
333 2HB SER 71 2HB SER 71 6.523 -4.280 1.305
334 HG SER 71 HG SER 71 5.806 -5.967 -0.870
335 H CYS 72 H CYS 72 3.530 -6.622 -0.041
336 HA CYS 72 HA CYS 72 3.079 -7.332 2.824
337 1HB CYS 72 1HB CYS 72 1.560 -8.496 0.501
338 2HB CYS 72 2HB CYS 72 1.406 -8.896 2.179
339 H GLN 73 H GLN 73 4.206 -9.195 3.451
340 HA GLN 73 HA GLN 73 5.249 -10.976 1.266
341 1HB GLN 73 1HB GLN 73 6.827 -10.269 3.743
342 2HB GLN 73 2HB GLN 73 7.335 -11.312 2.431
343 1HG GLN 73 2HG GLN 73 6.790 -8.328 2.119
344 2HG GLN 73 1HG GLN 73 8.386 -9.075 2.249
345 1HE2 GLN 73 2HE2 GLN 73 7.242 -8.539 -1.391
346 2HE2 GLN 73 1HE2 GLN 73 7.070 -7.457 -0.023
347 H ALA 74 H ALA 74 5.940 -13.073 2.265
348 HA ALA 74 HA ALA 74 3.570 -14.103 3.740
349 1HB ALA 74 3HB ALA 74 4.215 -15.153 1.653
350 2HB ALA 74 1HB ALA 74 5.817 -15.543 2.341
351 3HB ALA 74 2HB ALA 74 4.337 -16.266 3.039
352 H GLU 75 H GLU 75 4.911 -12.561 5.288
353 HA GLU 75 HA GLU 75 5.626 -13.830 7.644
354 1HB GLU 75 2HB GLU 75 7.696 -14.636 6.461
355 2HB GLU 75 1HB GLU 75 8.075 -12.956 6.025
356 1HG GLU 75 1HG GLU 75 8.363 -12.395 8.402
357 2HG GLU 75 2HG GLU 75 7.820 -14.011 8.876
No H/Q in entry = 357
Start of MODEL 2
1 1H ALA 23 3H ALA 23 -8.162 11.596 0.568
2 2H ALA 23 2H ALA 23 -9.200 12.468 -0.266
3 3H ALA 23 1H ALA 23 -8.055 11.603 -1.078
4 HA ALA 23 HA ALA 23 -6.293 13.034 -0.175
5 1HB ALA 23 3HB ALA 23 -8.583 14.653 -1.358
6 2HB ALA 23 1HB ALA 23 -6.896 15.189 -1.206
7 3HB ALA 23 2HB ALA 23 -7.299 13.816 -2.256
8 H VAL 24 H VAL 24 -6.187 12.926 2.109
9 HA VAL 24 HA VAL 24 -6.298 13.650 4.241
10 HB VAL 24 HB VAL 24 -8.307 15.832 3.480
11 1HG1 VAL 24 2HG1 VAL 24 -6.582 15.394 5.944
12 2HG1 VAL 24 1HG1 VAL 24 -7.632 16.789 5.628
13 3HG1 VAL 24 3HG1 VAL 24 -8.344 15.185 5.850
14 1HG2 VAL 24 2HG2 VAL 24 -5.271 15.963 3.816
15 2HG2 VAL 24 3HG2 VAL 24 -6.153 16.222 2.296
16 3HG2 VAL 24 1HG2 VAL 24 -6.355 17.357 3.634
17 H ASP 25 H ASP 25 -9.445 13.941 2.594
18 HA ASP 25 HA ASP 25 -10.805 12.002 4.341
19 1HB ASP 25 1HB ASP 25 -12.685 12.438 3.007
20 2HB ASP 25 2HB ASP 25 -11.878 14.002 3.059
21 H LEU 26 H LEU 26 -12.021 10.362 2.668
22 HA LEU 26 HA LEU 26 -10.200 8.375 1.920
23 1HB LEU 26 2HB LEU 26 -12.172 7.322 0.784
24 2HB LEU 26 1HB LEU 26 -12.420 7.822 2.449
25 HG LEU 26 HG LEU 26 -13.692 9.828 1.660
26 1HD1 LEU 26 2HD1 LEU 26 -13.268 8.573 -1.089
27 2HD1 LEU 26 1HD1 LEU 26 -14.544 9.747 -0.719
28 3HD1 LEU 26 3HD1 LEU 26 -12.857 10.232 -0.583
29 1HD2 LEU 26 2HD2 LEU 26 -14.799 7.717 2.294
30 2HD2 LEU 26 3HD2 LEU 26 -15.679 8.553 1.005
31 3HD2 LEU 26 1HD2 LEU 26 -14.671 7.143 0.618
32 H ASP 27 H ASP 27 -10.356 7.370 -0.378
33 HA ASP 27 HA ASP 27 -9.554 7.307 -2.451
34 1HB ASP 27 1HB ASP 27 -11.507 8.751 -2.986
35 2HB ASP 27 2HB ASP 27 -10.458 10.173 -2.867
36 H GLU 28 H GLU 28 -7.486 6.986 -1.923
37 HA GLU 28 HA GLU 28 -5.572 8.991 -2.798
38 1HB GLU 28 1HB GLU 28 -5.162 7.781 0.000
39 2HB GLU 28 2HB GLU 28 -4.059 8.789 -0.925
40 1HG GLU 28 1HG GLU 28 -5.724 10.638 -0.876
41 2HG GLU 28 2HG GLU 28 -6.743 9.663 0.215
42 H CYS 29 H CYS 29 -5.874 5.896 -1.023
43 HA CYS 29 HA CYS 29 -3.668 4.725 -2.556
44 1HB CYS 29 2HB CYS 29 -3.959 4.514 -0.154
45 2HB CYS 29 1HB CYS 29 -5.380 3.504 -0.391
46 H ALA 30 H ALA 30 -7.210 4.426 -2.175
47 HA ALA 30 HA ALA 30 -7.729 2.197 -3.812
48 1HB ALA 30 3HB ALA 30 -9.258 4.836 -3.588
49 2HB ALA 30 2HB ALA 30 -9.906 3.315 -4.238
50 3HB ALA 30 1HB ALA 30 -9.448 3.425 -2.523
51 H SER 31 H SER 31 -7.168 5.637 -4.676
52 HA SER 31 HA SER 31 -7.353 5.267 -7.512
53 1HB SER 31 2HB SER 31 -6.231 7.728 -7.066
54 2HB SER 31 1HB SER 31 -7.963 7.372 -6.986
55 HG SER 31 HG SER 31 -7.459 8.372 -5.092
56 H ARG 32 H ARG 32 -4.632 5.904 -5.211
57 HA ARG 32 HA ARG 32 -2.374 5.880 -5.508
58 1HB ARG 32 2HB ARG 32 -3.272 3.268 -6.682
59 2HB ARG 32 1HB ARG 32 -1.592 3.734 -6.990
60 1HG ARG 32 2HG ARG 32 -0.981 3.890 -4.764
61 2HG ARG 32 1HG ARG 32 -2.641 3.774 -4.192
62 1HD ARG 32 2HD ARG 32 -1.177 1.534 -5.655
63 2HD ARG 32 1HD ARG 32 -1.371 1.667 -3.894
64 HE ARG 32 HE ARG 32 -3.933 1.899 -4.929
65 1HH1 ARG 32 2HH2 ARG 32 -1.435 -0.593 -4.572
66 2HH1 ARG 32 1HH2 ARG 32 -2.553 -1.919 -4.686
67 1HH2 ARG 32 2HH1 ARG 32 -5.378 0.195 -5.115
68 2HH2 ARG 32 1HH1 ARG 32 -4.847 -1.467 -4.989
69 H SER 33 H SER 33 -2.099 4.488 -8.664
70 HA SER 33 HA SER 33 -1.211 7.012 -9.774
71 1HB SER 33 1HB SER 33 -1.617 4.296 -11.087
72 2HB SER 33 2HB SER 33 -0.605 5.625 -11.677
73 HG SER 33 HG SER 33 0.384 3.833 -10.404
74 H LYS 34 H LYS 34 -3.401 7.906 -9.224
75 HA LYS 34 HA LYS 34 -5.273 8.952 -9.869
76 1HB LYS 34 2HB LYS 34 -4.855 7.850 -12.668
77 2HB LYS 34 1HB LYS 34 -5.927 9.170 -12.179
78 1HG LYS 34 2HG LYS 34 -3.859 10.365 -11.259
79 2HG LYS 34 1HG LYS 34 -2.879 9.133 -12.064
80 1HD LYS 34 2HD LYS 34 -4.806 11.097 -13.388
81 2HD LYS 34 1HD LYS 34 -3.036 11.141 -13.436
82 1HE LYS 34 2HE LYS 34 -3.099 8.859 -14.582
83 2HE LYS 34 1HE LYS 34 -4.863 9.046 -14.685
84 1HZ LYS 34 3HZ LYS 34 -4.533 11.024 -15.952
85 2HZ LYS 34 2HZ LYS 34 -2.893 10.858 -15.870
86 3HZ LYS 34 1HZ LYS 34 -3.797 9.735 -16.669
87 H SER 35 H SER 35 -5.335 5.915 -11.579
88 HA SER 35 HA SER 35 -7.482 4.808 -9.907
89 1HB SER 35 1HB SER 35 -7.927 5.325 -12.882
90 2HB SER 35 2HB SER 35 -8.958 4.310 -11.856
91 HG SER 35 HG SER 35 -8.518 6.744 -10.710
92 H GLY 36 H GLY 36 -5.090 3.975 -9.730
93 1HA GLY 36 1HA GLY 36 -3.662 2.202 -9.912
94 2HA GLY 36 2HA GLY 36 -5.052 1.273 -10.496
95 H GLU 37 H GLU 37 -3.715 4.121 -12.212
96 HA GLU 37 HA GLU 37 -3.331 2.520 -14.626
97 1HB GLU 37 1HB GLU 37 -2.757 5.445 -14.016
98 2HB GLU 37 2HB GLU 37 -2.657 4.676 -15.605
99 1HG GLU 37 1HG GLU 37 -5.043 4.107 -15.552
100 2HG GLU 37 2HG GLU 37 -5.200 4.720 -13.902
101 H GLU 38 H GLU 38 -1.891 1.068 -13.555
102 HA GLU 38 HA GLU 38 0.122 0.038 -13.553
103 1HB GLU 38 1HB GLU 38 1.529 2.670 -14.188
104 2HB GLU 38 2HB GLU 38 2.209 1.048 -14.238
105 1HG GLU 38 1HG GLU 38 0.039 2.142 -16.084
106 2HG GLU 38 2HG GLU 38 1.716 1.792 -16.499
107 H ASP 39 H ASP 39 1.789 -0.322 -11.970
108 HA ASP 39 HA ASP 39 1.986 1.547 -9.697
109 1HB ASP 39 1HB ASP 39 -0.159 0.378 -9.332
110 2HB ASP 39 2HB ASP 39 0.677 -1.179 -9.393
111 HA PRO 40 HA PRO 40 5.688 -1.150 -10.681
112 1HB PRO 40 2HB PRO 40 7.623 0.795 -10.494
113 2HB PRO 40 1HB PRO 40 6.668 0.503 -11.978
114 1HG PRO 40 1HG PRO 40 6.155 2.573 -9.828
115 2HG PRO 40 2HG PRO 40 6.198 2.824 -11.597
116 1HD PRO 40 1HD PRO 40 3.876 2.495 -10.248
117 2HD PRO 40 2HD PRO 40 4.077 1.769 -11.870
118 H GLN 41 H GLN 41 6.827 -2.157 -9.028
119 HA GLN 41 HA GLN 41 7.221 -2.850 -6.902
120 1HB GLN 41 2HB GLN 41 8.858 -1.074 -7.067
121 2HB GLN 41 1HB GLN 41 7.741 0.073 -6.312
122 1HG GLN 41 1HG GLN 41 7.828 -2.235 -4.595
123 2HG GLN 41 2HG GLN 41 9.489 -1.954 -5.111
124 1HE2 GLN 41 1HE2 GLN 41 7.524 0.968 -2.912
125 2HE2 GLN 41 2HE2 GLN 41 6.622 -0.088 -4.007
126 HA PRO 42 HA PRO 42 2.571 -1.983 -6.727
127 1HB PRO 42 1HB PRO 42 3.223 -4.503 -5.195
128 2HB PRO 42 2HB PRO 42 1.687 -4.082 -6.032
129 1HG PRO 42 1HG PRO 42 3.576 -5.500 -7.359
130 2HG PRO 42 2HG PRO 42 2.751 -4.135 -8.168
131 1HD PRO 42 1HD PRO 42 5.543 -4.233 -7.094
132 2HD PRO 42 2HD PRO 42 4.851 -3.299 -8.449
133 H GLN 43 H GLN 43 2.564 -0.043 -5.548
134 HA GLN 43 HA GLN 43 3.114 0.180 -2.739
135 1HB GLN 43 1HB GLN 43 1.293 1.765 -4.616
136 2HB GLN 43 2HB GLN 43 1.426 2.087 -2.887
137 1HG GLN 43 1HG GLN 43 2.883 3.618 -3.739
138 2HG GLN 43 2HG GLN 43 3.976 2.322 -3.252
139 1HE2 GLN 43 2HE2 GLN 43 4.877 1.522 -6.671
140 2HE2 GLN 43 1HE2 GLN 43 4.712 0.792 -5.105
141 H CYS 44 H CYS 44 2.160 -1.112 -1.279
142 HA CYS 44 HA CYS 44 0.619 -2.172 -0.038
143 1HB CYS 44 1HB CYS 44 -1.376 -0.292 -1.343
144 2HB CYS 44 2HB CYS 44 -1.795 -1.530 -0.163
145 H GLN 45 H GLN 45 1.697 -3.380 -2.073
146 HA GLN 45 HA GLN 45 1.180 -4.821 -3.890
147 1HB GLN 45 1HB GLN 45 2.538 -5.427 -1.805
148 2HB GLN 45 2HB GLN 45 1.168 -6.425 -1.308
149 1HG GLN 45 1HG GLN 45 1.455 -7.647 -3.563
150 2HG GLN 45 2HG GLN 45 2.888 -6.635 -3.808
151 1HE2 GLN 45 1HE2 GLN 45 4.616 -8.459 -1.212
152 2HE2 GLN 45 2HE2 GLN 45 4.629 -6.929 -2.099
153 H HIS 46 H HIS 46 -0.976 -5.734 -1.155
154 HA HIS 46 HA HIS 46 -2.721 -7.269 -3.016
155 1HB HIS 46 1HB HIS 46 -2.598 -7.042 -0.032
156 2HB HIS 46 2HB HIS 46 -3.805 -8.015 -0.909
157 HD2 HIS 46 HD2 HIS 46 -0.464 -8.458 -2.619
158 HE1 HIS 46 HE1 HIS 46 -0.444 -11.284 0.499
159 HE2 HIS 46 HE2 HIS 46 0.860 -10.390 -1.522
160 H LEU 47 H LEU 47 -3.716 -5.293 -0.139
161 HA LEU 47 HA LEU 47 -5.249 -3.596 -2.011
162 1HB LEU 47 1HB LEU 47 -7.414 -4.211 -0.974
163 2HB LEU 47 2HB LEU 47 -6.641 -5.484 -1.903
164 HG LEU 47 HG LEU 47 -5.690 -6.218 0.529
165 1HD1 LEU 47 3HD1 LEU 47 -8.355 -4.861 1.096
166 2HD1 LEU 47 1HD1 LEU 47 -7.462 -5.928 2.200
167 3HD1 LEU 47 2HD1 LEU 47 -6.774 -4.356 1.731
168 1HD2 LEU 47 1HD2 LEU 47 -8.465 -6.848 -0.532
169 2HD2 LEU 47 3HD2 LEU 47 -6.946 -7.644 -1.005
170 3HD2 LEU 47 2HD2 LEU 47 -7.547 -7.806 0.652
171 H CYS 48 H CYS 48 -6.305 -1.856 -1.182
172 HA CYS 48 HA CYS 48 -4.991 -0.645 1.213
173 1HB CYS 48 2HB CYS 48 -6.637 0.692 -0.956
174 2HB CYS 48 1HB CYS 48 -5.625 1.437 0.275
175 H HIS 49 H HIS 49 -6.449 0.990 2.252
176 HA HIS 49 HA HIS 49 -9.350 0.731 1.921
177 1HB HIS 49 2HB HIS 49 -8.057 0.962 4.622
178 2HB HIS 49 1HB HIS 49 -9.767 0.855 4.288
179 HD2 HIS 49 HD2 HIS 49 -6.669 -1.603 4.504
180 HE1 HIS 49 HE1 HIS 49 -10.262 -3.798 4.760
181 HE2 HIS 49 HE2 HIS 49 -7.701 -3.880 5.061
182 H ASN 50 H ASN 50 -10.209 2.852 2.591
183 HA ASN 50 HA ASN 50 -8.208 5.052 2.708
184 1HB ASN 50 2HB ASN 50 -9.884 4.424 0.403
185 2HB ASN 50 1HB ASN 50 -10.328 5.971 1.084
186 1HD2 ASN 50 2HD2 ASN 50 -7.101 7.466 0.406
187 2HD2 ASN 50 1HD2 ASN 50 -8.087 7.141 1.815
188 H TYR 51 H TYR 51 -8.944 6.805 4.004
189 HA TYR 51 HA TYR 51 -11.646 6.882 5.001
190 1HB TYR 51 2HB TYR 51 -11.355 6.019 7.148
191 2HB TYR 51 1HB TYR 51 -10.538 4.839 6.167
192 HD1 TYR 51 HD1 TYR 51 -7.827 6.159 5.770
193 HD2 TYR 51 HD2 TYR 51 -10.359 5.848 9.248
194 HE1 TYR 51 HE1 TYR 51 -5.903 6.661 7.206
195 HE2 TYR 51 HE2 TYR 51 -8.403 6.271 10.694
196 HH TYR 51 HH TYR 51 -5.140 6.900 9.364
197 H VAL 52 H VAL 52 -11.449 8.391 7.233
198 HA VAL 52 HA VAL 52 -10.275 10.837 6.304
199 HB VAL 52 HB VAL 52 -11.642 9.892 8.861
200 1HG1 VAL 52 2HG2 VAL 52 -10.632 12.664 8.134
201 2HG1 VAL 52 3HG2 VAL 52 -11.777 12.293 9.453
202 3HG1 VAL 52 1HG2 VAL 52 -10.120 11.664 9.523
203 1HG2 VAL 52 3HG1 VAL 52 -12.378 11.732 6.537
204 2HG2 VAL 52 1HG1 VAL 52 -12.974 10.076 6.764
205 3HG2 VAL 52 2HG1 VAL 52 -13.429 11.343 7.924
206 H GLY 53 H GLY 53 -8.309 11.640 6.725
207 1HA GLY 53 2HA GLY 53 -6.268 11.807 7.977
208 2HA GLY 53 1HA GLY 53 -6.489 10.167 8.609
209 H GLY 54 H GLY 54 -7.590 9.619 5.575
210 1HA GLY 54 1HA GLY 54 -6.321 9.820 3.494
211 2HA GLY 54 2HA GLY 54 -4.851 9.367 4.334
212 H TYR 55 H TYR 55 -4.493 7.195 4.804
213 HA TYR 55 HA TYR 55 -6.516 5.191 4.090
214 1HB TYR 55 1HB TYR 55 -5.312 4.288 2.209
215 2HB TYR 55 2HB TYR 55 -5.529 5.987 1.913
216 HD1 TYR 55 HD1 TYR 55 -3.468 7.529 2.404
217 HD2 TYR 55 HD2 TYR 55 -3.223 3.238 2.171
218 HE1 TYR 55 HE1 TYR 55 -1.088 7.705 1.756
219 HE2 TYR 55 HE2 TYR 55 -0.880 3.418 1.381
220 HH TYR 55 HH TYR 55 0.794 6.557 1.092
221 H PHE 56 H PHE 56 -5.743 3.019 4.113
222 HA PHE 56 HA PHE 56 -3.302 2.402 5.547
223 1HB PHE 56 1HB PHE 56 -4.362 0.857 7.123
224 2HB PHE 56 2HB PHE 56 -4.625 2.525 7.469
225 HD1 PHE 56 HD1 PHE 56 -6.961 3.566 6.825
226 HD2 PHE 56 HD2 PHE 56 -6.162 -0.676 7.020
227 HE1 PHE 56 HE1 PHE 56 -9.368 3.110 7.107
228 HE2 PHE 56 HE2 PHE 56 -8.563 -1.113 7.331
229 HZ PHE 56 HZ PHE 56 -10.183 0.778 7.401
230 H CYS 57 H CYS 57 -3.409 -0.199 5.611
231 HA CYS 57 HA CYS 57 -4.569 -1.229 3.137
232 1HB CYS 57 1HB CYS 57 -1.556 -1.167 3.537
233 2HB CYS 57 2HB CYS 57 -2.398 -1.981 2.226
234 H SER 58 H SER 58 -3.936 -3.522 2.787
235 HA SER 58 HA SER 58 -3.451 -5.078 5.194
236 1HB SER 58 2HB SER 58 -6.225 -5.047 3.925
237 2HB SER 58 1HB SER 58 -5.720 -6.091 5.251
238 HG SER 58 HG SER 58 -5.153 -3.706 6.078
239 H CYS 59 H CYS 59 -4.020 -7.525 4.507
240 HA CYS 59 HA CYS 59 -3.422 -7.966 1.664
241 1HB CYS 59 2HB CYS 59 -1.610 -8.655 4.025
242 2HB CYS 59 1HB CYS 59 -1.453 -9.467 2.491
243 H ARG 60 H ARG 60 -3.221 -10.407 1.320
244 HA ARG 60 HA ARG 60 -5.607 -11.634 2.336
245 1HB ARG 60 2HB ARG 60 -3.208 -13.014 1.066
246 2HB ARG 60 1HB ARG 60 -4.850 -13.651 1.185
247 1HG ARG 60 1HG ARG 60 -3.899 -11.305 -0.514
248 2HG ARG 60 2HG ARG 60 -4.466 -12.879 -1.061
249 1HD ARG 60 2HD ARG 60 -6.734 -12.363 -0.168
250 2HD ARG 60 1HD ARG 60 -6.148 -10.752 0.333
251 HE ARG 60 HE ARG 60 -5.548 -11.111 -2.405
252 1HH1 ARG 60 2HH1 ARG 60 -8.339 -10.664 -0.292
253 2HH1 ARG 60 1HH1 ARG 60 -9.292 -9.822 -1.482
254 1HH2 ARG 60 2HH2 ARG 60 -6.773 -10.005 -3.976
255 2HH2 ARG 60 1HH2 ARG 60 -8.383 -9.446 -3.621
256 HA PRO 61 HA PRO 61 -4.296 -13.060 6.275
257 1HB PRO 61 1HB PRO 61 -5.308 -15.796 5.652
258 2HB PRO 61 2HB PRO 61 -5.671 -14.784 7.071
259 1HG PRO 61 2HG PRO 61 -7.521 -15.016 5.070
260 2HG PRO 61 1HG PRO 61 -7.220 -13.448 5.872
261 1HD PRO 61 1HD PRO 61 -6.208 -14.383 3.188
262 2HD PRO 61 2HD PRO 61 -6.844 -12.787 3.688
263 H GLY 62 H GLY 62 -2.651 -14.291 7.276
264 1HA GLY 62 1HA GLY 62 -0.740 -15.613 7.388
265 2HA GLY 62 2HA GLY 62 -1.017 -16.190 5.741
266 H TYR 63 H TYR 63 -1.234 -13.141 4.833
267 HA TYR 63 HA TYR 63 1.642 -12.881 4.525
268 1HB TYR 63 2HB TYR 63 -0.665 -11.557 3.102
269 2HB TYR 63 1HB TYR 63 0.983 -11.033 2.957
270 HD1 TYR 63 HD1 TYR 63 -1.145 -14.102 2.553
271 HD2 TYR 63 HD2 TYR 63 2.419 -11.990 1.358
272 HE1 TYR 63 HE1 TYR 63 -0.730 -15.787 0.783
273 HE2 TYR 63 HE2 TYR 63 2.825 -13.661 -0.407
274 HH TYR 63 HH TYR 63 2.076 -15.596 -1.422
275 H GLU 64 H GLU 64 2.852 -11.262 5.360
276 HA GLU 64 HA GLU 64 1.530 -9.426 7.322
277 1HB GLU 64 2HB GLU 64 4.368 -10.517 7.368
278 2HB GLU 64 1HB GLU 64 3.545 -9.585 8.630
279 1HG GLU 64 1HG GLU 64 2.918 -12.420 7.687
280 2HG GLU 64 2HG GLU 64 3.597 -11.944 9.240
281 H LEU 65 H LEU 65 1.728 -7.313 6.989
282 HA LEU 65 HA LEU 65 2.999 -6.299 4.628
283 1HB LEU 65 2HB LEU 65 1.281 -5.257 6.847
284 2HB LEU 65 1HB LEU 65 2.411 -4.091 6.210
285 HG LEU 65 HG LEU 65 0.226 -5.489 4.644
286 1HD1 LEU 65 3HD2 LEU 65 -0.338 -3.575 6.210
287 2HD1 LEU 65 2HD2 LEU 65 0.765 -2.570 5.257
288 3HD1 LEU 65 1HD2 LEU 65 -0.677 -3.235 4.494
289 1HD2 LEU 65 3HD1 LEU 65 2.417 -3.568 3.711
290 2HD2 LEU 65 1HD1 LEU 65 2.065 -5.155 3.022
291 3HD2 LEU 65 2HD1 LEU 65 0.915 -3.843 2.807
292 H GLN 66 H GLN 66 4.695 -5.050 4.337
293 HA GLN 66 HA GLN 66 6.572 -4.322 6.509
294 1HB GLN 66 1HB GLN 66 7.477 -5.401 3.838
295 2HB GLN 66 2HB GLN 66 8.396 -5.202 5.339
296 1HG GLN 66 2HG GLN 66 6.262 -7.275 4.667
297 2HG GLN 66 1HG GLN 66 8.006 -7.548 4.724
298 1HE2 GLN 66 1HE2 GLN 66 6.160 -8.569 7.959
299 2HE2 GLN 66 2HE2 GLN 66 5.552 -8.636 6.307
300 H GLU 67 H GLU 67 8.426 -3.236 4.943
301 HA GLU 67 HA GLU 67 8.956 -1.185 4.192
302 1HB GLU 67 1HB GLU 67 7.215 -2.268 1.932
303 2HB GLU 67 2HB GLU 67 8.153 -0.787 1.783
304 1HG GLU 67 1HG GLU 67 9.403 -2.575 0.779
305 2HG GLU 67 2HG GLU 67 10.256 -1.955 2.195
306 H ASP 68 H ASP 68 7.518 -0.687 6.089
307 HA ASP 68 HA ASP 68 6.602 1.125 7.080
308 1HB ASP 68 2HB ASP 68 6.461 2.471 4.345
309 2HB ASP 68 1HB ASP 68 6.221 3.226 5.915
310 H ARG 69 H ARG 69 5.249 -1.112 5.365
311 HA ARG 69 HA ARG 69 3.293 -2.083 5.645
312 1HB ARG 69 1HB ARG 69 1.525 -1.318 6.845
313 2HB ARG 69 2HB ARG 69 2.864 -0.494 7.575
314 1HG ARG 69 2HG ARG 69 1.930 1.474 7.231
315 2HG ARG 69 1HG ARG 69 1.835 1.251 5.516
316 1HD ARG 69 1HD ARG 69 -0.320 -0.078 5.844
317 2HD ARG 69 2HD ARG 69 -0.249 0.373 7.554
318 HE ARG 69 HE ARG 69 -1.011 2.471 7.022
319 1HH1 ARG 69 1HH1 ARG 69 0.348 1.007 4.085
320 2HH1 ARG 69 2HH1 ARG 69 -0.192 2.289 3.042
321 1HH2 ARG 69 2HH2 ARG 69 -1.762 4.159 5.621
322 2HH2 ARG 69 1HH2 ARG 69 -1.226 4.186 3.975
323 H HIS 70 H HIS 70 4.442 -1.331 3.350
324 HA HIS 70 HA HIS 70 2.079 -0.853 1.602
325 1HB HIS 70 1HB HIS 70 4.855 0.327 1.283
326 2HB HIS 70 2HB HIS 70 3.606 0.362 0.041
327 HD2 HIS 70 HD2 HIS 70 1.707 2.272 0.236
328 HE1 HIS 70 HE1 HIS 70 2.938 3.826 3.982
329 HE2 HIS 70 HE2 HIS 70 1.429 4.238 1.953
330 H SER 71 H SER 71 4.360 -3.213 2.428
331 HA SER 71 HA SER 71 3.791 -4.561 -0.146
332 1HB SER 71 2HB SER 71 6.636 -4.213 0.869
333 2HB SER 71 1HB SER 71 6.134 -5.140 -0.545
334 HG SER 71 HG SER 71 5.072 -2.803 -0.940
335 H CYS 72 H CYS 72 3.392 -6.738 0.175
336 HA CYS 72 HA CYS 72 3.769 -7.711 2.954
337 1HB CYS 72 2HB CYS 72 1.655 -8.227 0.910
338 2HB CYS 72 1HB CYS 72 2.135 -9.543 1.956
339 H GLN 73 H GLN 73 4.371 -9.702 3.475
340 HA GLN 73 HA GLN 73 5.663 -11.447 1.428
341 1HB GLN 73 1HB GLN 73 7.202 -12.195 3.329
342 2HB GLN 73 2HB GLN 73 7.571 -10.654 2.586
343 1HG GLN 73 1HG GLN 73 6.574 -9.461 4.450
344 2HG GLN 73 2HG GLN 73 5.894 -10.932 5.138
345 1HE2 GLN 73 2HE2 GLN 73 8.789 -11.754 6.970
346 2HE2 GLN 73 1HE2 GLN 73 7.104 -12.102 6.607
347 H ALA 74 H ALA 74 5.788 -13.651 2.369
348 HA ALA 74 HA ALA 74 3.138 -14.378 3.548
349 1HB ALA 74 3HB ALA 74 5.336 -16.109 2.350
350 2HB ALA 74 1HB ALA 74 3.765 -16.675 2.960
351 3HB ALA 74 2HB ALA 74 3.833 -15.608 1.544
352 H GLU 75 H GLU 75 3.084 -14.495 5.767
353 HA GLU 75 HA GLU 75 3.714 -14.656 7.905
354 1HB GLU 75 1HB GLU 75 5.904 -16.545 6.963
355 2HB GLU 75 2HB GLU 75 5.268 -16.368 8.598
356 1HG GLU 75 1HG GLU 75 3.005 -17.073 7.789
357 2HG GLU 75 2HG GLU 75 3.679 -17.338 6.172
No H/Q in entry = 357
Start of MODEL 3
1 1H ALA 23 1H ALA 23 -13.809 6.484 -0.403
2 2H ALA 23 2H ALA 23 -13.877 5.560 -1.786
3 3H ALA 23 3H ALA 23 -15.204 6.434 -1.234
4 HA ALA 23 HA ALA 23 -15.571 4.173 -0.680
5 1HB ALA 23 2HB ALA 23 -13.139 3.559 -0.604
6 2HB ALA 23 3HB ALA 23 -12.989 4.454 0.925
7 3HB ALA 23 1HB ALA 23 -14.025 3.009 0.821
8 H VAL 24 H VAL 24 -15.041 3.902 2.369
9 HA VAL 24 HA VAL 24 -17.103 5.586 3.335
10 HB VAL 24 HB VAL 24 -16.363 3.531 4.445
11 1HG1 VAL 24 3HG1 VAL 24 -13.878 3.757 4.162
12 2HG1 VAL 24 1HG1 VAL 24 -13.887 5.041 5.392
13 3HG1 VAL 24 2HG1 VAL 24 -14.375 3.398 5.819
14 1HG2 VAL 24 1HG2 VAL 24 -17.610 5.251 5.706
15 2HG2 VAL 24 3HG2 VAL 24 -16.516 4.322 6.746
16 3HG2 VAL 24 2HG2 VAL 24 -16.079 5.968 6.251
17 H ASP 25 H ASP 25 -13.616 5.964 3.074
18 HA ASP 25 HA ASP 25 -13.802 8.883 3.658
19 1HB ASP 25 1HB ASP 25 -12.279 7.259 5.108
20 2HB ASP 25 2HB ASP 25 -11.206 7.317 3.703
21 H LEU 26 H LEU 26 -11.837 9.910 2.269
22 HA LEU 26 HA LEU 26 -12.577 9.597 -0.485
23 1HB LEU 26 1HB LEU 26 -10.148 10.918 0.792
24 2HB LEU 26 2HB LEU 26 -10.675 11.131 -0.887
25 HG LEU 26 HG LEU 26 -12.176 12.009 1.625
26 1HD1 LEU 26 2HD1 LEU 26 -10.201 13.368 1.013
27 2HD1 LEU 26 1HD1 LEU 26 -10.859 13.584 -0.625
28 3HD1 LEU 26 3HD1 LEU 26 -11.713 14.265 0.777
29 1HD2 LEU 26 2HD2 LEU 26 -12.966 12.212 -1.317
30 2HD2 LEU 26 3HD2 LEU 26 -13.859 11.373 -0.025
31 3HD2 LEU 26 1HD2 LEU 26 -13.730 13.132 -0.006
32 H ASP 27 H ASP 27 -11.267 8.818 -2.203
33 HA ASP 27 HA ASP 27 -10.042 6.261 -1.506
34 1HB ASP 27 1HB ASP 27 -10.507 7.519 -4.226
35 2HB ASP 27 2HB ASP 27 -10.092 5.830 -3.871
36 H GLU 28 H GLU 28 -8.391 7.604 -0.259
37 HA GLU 28 HA GLU 28 -6.320 9.010 -1.648
38 1HB GLU 28 1HB GLU 28 -6.093 7.461 0.960
39 2HB GLU 28 2HB GLU 28 -5.006 8.733 0.375
40 1HG GLU 28 2HG GLU 28 -7.912 9.042 1.255
41 2HG GLU 28 1HG GLU 28 -6.479 9.692 2.033
42 H CYS 29 H CYS 29 -6.784 5.563 -0.901
43 HA CYS 29 HA CYS 29 -4.340 4.527 -1.889
44 1HB CYS 29 1HB CYS 29 -5.910 3.058 -0.806
45 2HB CYS 29 2HB CYS 29 -7.187 3.467 -1.955
46 H ALA 30 H ALA 30 -7.251 5.589 -3.649
47 HA ALA 30 HA ALA 30 -6.343 4.602 -6.236
48 1HB ALA 30 2HB ALA 30 -8.759 4.844 -5.614
49 2HB ALA 30 1HB ALA 30 -8.545 6.606 -5.551
50 3HB ALA 30 3HB ALA 30 -8.328 5.752 -7.078
51 H SER 31 H SER 31 -6.554 7.721 -4.551
52 HA SER 31 HA SER 31 -5.641 9.334 -6.707
53 1HB SER 31 2HB SER 31 -5.482 9.959 -3.733
54 2HB SER 31 1HB SER 31 -5.571 11.102 -5.083
55 HG SER 31 HG SER 31 -7.588 9.260 -4.239
56 H ARG 32 H ARG 32 -3.872 7.852 -3.968
57 HA ARG 32 HA ARG 32 -1.358 9.200 -4.752
58 1HB ARG 32 1HB ARG 32 -2.056 7.472 -2.365
59 2HB ARG 32 2HB ARG 32 -0.555 8.383 -2.604
60 1HG ARG 32 2HG ARG 32 -1.879 10.511 -2.630
61 2HG ARG 32 1HG ARG 32 -3.358 9.573 -2.352
62 1HD ARG 32 2HD ARG 32 -2.305 8.659 -0.248
63 2HD ARG 32 1HD ARG 32 -0.989 9.839 -0.474
64 HE ARG 32 HE ARG 32 -3.511 11.164 -0.634
65 1HH1 ARG 32 2HH2 ARG 32 -1.393 9.645 1.799
66 2HH1 ARG 32 1HH2 ARG 32 -2.238 10.423 3.132
67 1HH2 ARG 32 1HH1 ARG 32 -4.575 12.097 1.176
68 2HH2 ARG 32 2HH1 ARG 32 -3.840 11.919 2.766
69 H SER 33 H SER 33 -0.699 8.043 -6.637
70 HA SER 33 HA SER 33 -0.415 5.201 -6.677
71 1HB SER 33 1HB SER 33 1.103 7.258 -8.325
72 2HB SER 33 2HB SER 33 0.701 5.593 -8.779
73 HG SER 33 HG SER 33 -1.472 6.195 -8.865
74 H LYS 34 H LYS 34 0.604 5.513 -4.280
75 HA LYS 34 HA LYS 34 3.428 6.121 -4.215
76 1HB LYS 34 1HB LYS 34 1.800 6.302 -2.287
77 2HB LYS 34 2HB LYS 34 1.795 4.529 -2.218
78 1HG LYS 34 1HG LYS 34 4.229 4.529 -1.742
79 2HG LYS 34 2HG LYS 34 4.275 6.286 -1.955
80 1HD LYS 34 1HD LYS 34 4.279 5.830 0.397
81 2HD LYS 34 2HD LYS 34 2.717 6.556 -0.015
82 1HE LYS 34 1HE LYS 34 1.654 4.309 0.028
83 2HE LYS 34 2HE LYS 34 3.242 3.568 0.324
84 1HZ LYS 34 2HZ LYS 34 3.328 4.731 2.398
85 2HZ LYS 34 3HZ LYS 34 1.865 5.439 2.117
86 3HZ LYS 34 1HZ LYS 34 1.969 3.809 2.319
87 H SER 35 H SER 35 5.048 4.812 -4.809
88 HA SER 35 HA SER 35 5.988 3.063 -5.988
89 1HB SER 35 1HB SER 35 5.503 1.976 -3.195
90 2HB SER 35 2HB SER 35 6.802 1.493 -4.304
91 HG SER 35 HG SER 35 7.469 3.126 -2.807
92 H GLY 36 H GLY 36 3.968 2.748 -7.387
93 1HA GLY 36 2HA GLY 36 3.223 -0.095 -7.327
94 2HA GLY 36 1HA GLY 36 1.908 1.110 -7.277
95 H GLU 37 H GLU 37 2.011 -0.532 -9.408
96 HA GLU 37 HA GLU 37 1.928 -0.613 -11.668
97 1HB GLU 37 1HB GLU 37 2.510 2.391 -11.637
98 2HB GLU 37 2HB GLU 37 2.130 1.419 -13.055
99 1HG GLU 37 1HG GLU 37 0.117 2.516 -12.337
100 2HG GLU 37 2HG GLU 37 -0.059 0.781 -12.046
101 H GLU 38 H GLU 38 4.624 1.684 -11.058
102 HA GLU 38 HA GLU 38 6.503 0.001 -12.645
103 1HB GLU 38 2HB GLU 38 6.900 2.630 -11.146
104 2HB GLU 38 1HB GLU 38 8.100 1.814 -12.159
105 1HG GLU 38 1HG GLU 38 6.581 2.038 -14.129
106 2HG GLU 38 2HG GLU 38 5.415 2.916 -13.124
107 H ASP 39 H ASP 39 5.477 -1.465 -10.790
108 HA ASP 39 HA ASP 39 7.281 -2.639 -9.122
109 1HB ASP 39 1HB ASP 39 7.372 -0.650 -7.672
110 2HB ASP 39 2HB ASP 39 5.606 -0.521 -7.677
111 HA PRO 40 HA PRO 40 3.436 -4.737 -10.048
112 1HB PRO 40 1HB PRO 40 3.892 -7.259 -9.188
113 2HB PRO 40 2HB PRO 40 4.850 -6.497 -10.486
114 1HG PRO 40 1HG PRO 40 5.582 -6.632 -7.542
115 2HG PRO 40 2HG PRO 40 6.569 -7.185 -8.930
116 1HD PRO 40 1HD PRO 40 6.897 -4.705 -7.860
117 2HD PRO 40 2HD PRO 40 6.985 -4.951 -9.630
118 H GLN 41 H GLN 41 2.715 -3.032 -8.233
119 HA GLN 41 HA GLN 41 0.913 -4.526 -6.464
120 1HB GLN 41 1HB GLN 41 2.762 -2.317 -5.471
121 2HB GLN 41 2HB GLN 41 1.412 -3.005 -4.568
122 1HG GLN 41 1HG GLN 41 2.469 -5.263 -4.687
123 2HG GLN 41 2HG GLN 41 3.890 -4.542 -5.460
124 1HE2 GLN 41 2HE2 GLN 41 4.861 -2.737 -2.430
125 2HE2 GLN 41 1HE2 GLN 41 4.709 -2.460 -4.180
126 HA PRO 42 HA PRO 42 -1.406 -1.219 -8.521
127 1HB PRO 42 1HB PRO 42 -3.929 -1.755 -7.656
128 2HB PRO 42 2HB PRO 42 -3.046 -2.841 -8.761
129 1HG PRO 42 2HG PRO 42 -3.236 -3.086 -5.738
130 2HG PRO 42 1HG PRO 42 -3.622 -4.339 -6.955
131 1HD PRO 42 2HD PRO 42 -1.200 -4.261 -5.762
132 2HD PRO 42 1HD PRO 42 -1.322 -4.622 -7.503
133 H GLN 43 H GLN 43 0.034 0.082 -6.967
134 HA GLN 43 HA GLN 43 0.283 1.920 -5.667
135 1HB GLN 43 1HB GLN 43 -2.745 2.176 -5.485
136 2HB GLN 43 2HB GLN 43 -1.508 3.422 -5.235
137 1HG GLN 43 1HG GLN 43 -0.703 2.939 -7.598
138 2HG GLN 43 2HG GLN 43 -2.169 1.967 -7.834
139 1HE2 GLN 43 1HE2 GLN 43 -3.878 5.438 -7.220
140 2HE2 GLN 43 2HE2 GLN 43 -3.535 4.259 -5.971
141 H CYS 44 H CYS 44 -0.916 -0.919 -4.500
142 HA CYS 44 HA CYS 44 0.250 -0.567 -1.965
143 1HB CYS 44 1HB CYS 44 -2.271 0.382 -1.799
144 2HB CYS 44 2HB CYS 44 -2.663 -1.330 -1.725
145 H GLN 45 H GLN 45 0.278 -2.623 -0.913
146 HA GLN 45 HA GLN 45 0.991 -4.811 -2.108
147 1HB GLN 45 2HB GLN 45 0.301 -6.017 0.022
148 2HB GLN 45 1HB GLN 45 1.031 -4.449 0.238
149 1HG GLN 45 1HG GLN 45 -1.614 -3.759 0.119
150 2HG GLN 45 2HG GLN 45 -1.738 -5.372 0.763
151 1HE2 GLN 45 1HE2 GLN 45 -1.408 -4.051 3.922
152 2HE2 GLN 45 2HE2 GLN 45 -2.400 -4.920 2.744
153 H HIS 46 H HIS 46 -2.383 -5.147 -0.954
154 HA HIS 46 HA HIS 46 -2.944 -7.046 -3.170
155 1HB HIS 46 1HB HIS 46 -3.509 -7.372 -0.211
156 2HB HIS 46 2HB HIS 46 -4.047 -8.473 -1.487
157 HD2 HIS 46 HD2 HIS 46 -0.271 -7.554 -1.652
158 HE1 HIS 46 HE1 HIS 46 -0.563 -10.808 0.924
159 HE2 HIS 46 HE2 HIS 46 1.036 -9.444 -0.465
160 H LEU 47 H LEU 47 -4.663 -5.841 -0.207
161 HA LEU 47 HA LEU 47 -6.550 -4.437 -2.019
162 1HB LEU 47 1HB LEU 47 -8.449 -5.198 -0.703
163 2HB LEU 47 2HB LEU 47 -7.668 -6.407 -1.703
164 HG LEU 47 HG LEU 47 -8.487 -7.375 0.303
165 1HD1 LEU 47 2HD2 LEU 47 -6.360 -8.276 -0.687
166 2HD1 LEU 47 3HD2 LEU 47 -5.522 -7.474 0.669
167 3HD1 LEU 47 1HD2 LEU 47 -6.731 -8.712 0.992
168 1HD2 LEU 47 2HD1 LEU 47 -8.291 -5.324 1.739
169 2HD2 LEU 47 1HD1 LEU 47 -7.795 -6.854 2.505
170 3HD2 LEU 47 3HD1 LEU 47 -6.567 -5.712 1.930
171 H CYS 48 H CYS 48 -7.384 -2.590 -1.387
172 HA CYS 48 HA CYS 48 -5.824 -1.151 0.643
173 1HB CYS 48 2HB CYS 48 -7.421 -0.418 -1.800
174 2HB CYS 48 1HB CYS 48 -7.245 0.782 -0.529
175 H HIS 49 H HIS 49 -6.750 0.424 1.998
176 HA HIS 49 HA HIS 49 -9.607 0.475 2.566
177 1HB HIS 49 1HB HIS 49 -7.558 -0.405 4.644
178 2HB HIS 49 2HB HIS 49 -9.202 0.181 4.984
179 HD2 HIS 49 HD2 HIS 49 -7.436 -3.068 3.827
180 HE1 HIS 49 HE1 HIS 49 -11.597 -3.797 4.098
181 HE2 HIS 49 HE2 HIS 49 -9.319 -4.896 3.774
182 H ASN 50 H ASN 50 -10.002 2.631 2.818
183 HA ASN 50 HA ASN 50 -7.708 4.480 3.029
184 1HB ASN 50 1HB ASN 50 -10.576 5.139 2.444
185 2HB ASN 50 2HB ASN 50 -9.199 6.216 2.353
186 1HD2 ASN 50 2HD2 ASN 50 -9.955 3.758 -0.783
187 2HD2 ASN 50 1HD2 ASN 50 -10.946 3.788 0.669
188 H TYR 51 H TYR 51 -8.059 6.489 4.353
189 HA TYR 51 HA TYR 51 -9.895 6.488 6.547
190 1HB TYR 51 1HB TYR 51 -8.450 6.328 8.399
191 2HB TYR 51 2HB TYR 51 -8.129 4.903 7.435
192 HD1 TYR 51 HD2 TYR 51 -6.016 4.789 6.078
193 HD2 TYR 51 HD1 TYR 51 -6.717 7.968 8.876
194 HE1 TYR 51 HE2 TYR 51 -3.578 5.187 6.251
195 HE2 TYR 51 HE1 TYR 51 -4.339 8.565 8.810
196 HH TYR 51 HH TYR 51 -2.234 7.991 7.987
197 H VAL 52 H VAL 52 -9.124 8.509 8.063
198 HA VAL 52 HA VAL 52 -9.205 10.663 6.358
199 HB VAL 52 HB VAL 52 -10.083 10.726 8.605
200 1HG1 VAL 52 1HG2 VAL 52 -7.229 10.421 9.656
201 2HG1 VAL 52 3HG2 VAL 52 -8.663 10.788 10.622
202 3HG1 VAL 52 2HG2 VAL 52 -8.533 9.227 9.813
203 1HG2 VAL 52 3HG1 VAL 52 -9.218 12.812 7.581
204 2HG2 VAL 52 1HG1 VAL 52 -9.229 12.830 9.367
205 3HG2 VAL 52 2HG1 VAL 52 -7.696 12.593 8.491
206 H GLY 53 H GLY 53 -7.876 11.599 5.098
207 1HA GLY 53 1HA GLY 53 -5.963 12.478 4.232
208 2HA GLY 53 2HA GLY 53 -5.249 12.428 5.852
209 H GLY 54 H GLY 54 -6.387 9.283 4.767
210 1HA GLY 54 2HA GLY 54 -4.056 8.696 3.117
211 2HA GLY 54 1HA GLY 54 -3.772 8.212 4.797
212 H TYR 55 H TYR 55 -3.437 6.116 3.728
213 HA TYR 55 HA TYR 55 -5.842 4.536 3.914
214 1HB TYR 55 1HB TYR 55 -5.639 3.434 1.804
215 2HB TYR 55 2HB TYR 55 -5.834 5.145 1.523
216 HD1 TYR 55 HD2 TYR 55 -3.544 6.516 1.074
217 HD2 TYR 55 HD1 TYR 55 -3.975 2.250 0.757
218 HE1 TYR 55 HE2 TYR 55 -1.513 6.404 -0.356
219 HE2 TYR 55 HE1 TYR 55 -1.939 2.158 -0.664
220 HH TYR 55 HH TYR 55 -0.607 3.416 -2.091
221 H PHE 56 H PHE 56 -5.444 2.546 4.638
222 HA PHE 56 HA PHE 56 -2.662 2.078 5.611
223 1HB PHE 56 2HB PHE 56 -3.544 0.557 7.235
224 2HB PHE 56 1HB PHE 56 -4.108 2.205 7.406
225 HD1 PHE 56 HD1 PHE 56 -6.478 2.816 6.729
226 HD2 PHE 56 HD2 PHE 56 -5.120 -1.241 7.231
227 HE1 PHE 56 HE1 PHE 56 -8.794 2.109 7.118
228 HE2 PHE 56 HE2 PHE 56 -7.452 -1.966 7.582
229 HZ PHE 56 HZ PHE 56 -9.291 -0.288 7.642
230 H CYS 57 H CYS 57 -5.126 -0.280 4.889
231 HA CYS 57 HA CYS 57 -5.350 -1.559 2.898
232 1HB CYS 57 1HB CYS 57 -2.322 -1.767 2.838
233 2HB CYS 57 2HB CYS 57 -3.443 -2.554 1.746
234 H SER 58 H SER 58 -4.856 -3.984 2.685
235 HA SER 58 HA SER 58 -3.885 -5.249 5.137
236 1HB SER 58 1HB SER 58 -6.784 -5.664 4.281
237 2HB SER 58 2HB SER 58 -5.935 -6.495 5.595
238 HG SER 58 HG SER 58 -5.558 -3.961 6.061
239 H CYS 59 H CYS 59 -4.376 -7.875 4.612
240 HA CYS 59 HA CYS 59 -3.652 -8.259 1.765
241 1HB CYS 59 1HB CYS 59 -1.875 -8.724 4.168
242 2HB CYS 59 2HB CYS 59 -1.671 -9.710 2.750
243 H ARG 60 H ARG 60 -3.357 -10.478 1.273
244 HA ARG 60 HA ARG 60 -5.540 -12.145 2.117
245 1HB ARG 60 2HB ARG 60 -2.932 -12.821 0.685
246 2HB ARG 60 1HB ARG 60 -4.296 -13.935 0.850
247 1HG ARG 60 1HG ARG 60 -5.754 -12.353 -0.386
248 2HG ARG 60 2HG ARG 60 -4.388 -11.245 -0.598
249 1HD ARG 60 1HD ARG 60 -4.499 -14.127 -1.597
250 2HD ARG 60 2HD ARG 60 -4.791 -12.719 -2.605
251 HE ARG 60 HE ARG 60 -2.234 -13.765 -1.655
252 1HH1 ARG 60 1HH2 ARG 60 -3.845 -10.851 -2.824
253 2HH1 ARG 60 2HH2 ARG 60 -2.393 -10.135 -3.473
254 1HH2 ARG 60 2HH1 ARG 60 -0.330 -12.851 -2.487
255 2HH2 ARG 60 1HH1 ARG 60 -0.359 -11.274 -3.240
256 HA PRO 61 HA PRO 61 -3.737 -13.890 5.813
257 1HB PRO 61 1HB PRO 61 -4.533 -16.622 4.890
258 2HB PRO 61 2HB PRO 61 -4.897 -15.833 6.445
259 1HG PRO 61 2HG PRO 61 -6.840 -16.048 4.537
260 2HG PRO 61 1HG PRO 61 -6.659 -14.550 5.496
261 1HD PRO 61 1HD PRO 61 -5.681 -15.079 2.683
262 2HD PRO 61 2HD PRO 61 -6.513 -13.645 3.358
263 H GLY 62 H GLY 62 -1.878 -15.164 6.486
264 1HA GLY 62 1HA GLY 62 0.107 -16.342 6.198
265 2HA GLY 62 2HA GLY 62 -0.337 -16.673 4.521
266 H TYR 63 H TYR 63 -0.519 -13.337 5.361
267 HA TYR 63 HA TYR 63 2.182 -12.805 4.360
268 1HB TYR 63 2HB TYR 63 -0.424 -11.522 3.530
269 2HB TYR 63 1HB TYR 63 1.092 -10.721 3.295
270 HD1 TYR 63 HD1 TYR 63 -0.852 -13.733 2.325
271 HD2 TYR 63 HD2 TYR 63 2.543 -11.228 1.472
272 HE1 TYR 63 HE1 TYR 63 -0.716 -14.687 0.045
273 HE2 TYR 63 HE2 TYR 63 2.730 -12.232 -0.770
274 HH TYR 63 HH TYR 63 1.850 -13.802 -2.254
275 H GLU 64 H GLU 64 3.024 -10.756 4.954
276 HA GLU 64 HA GLU 64 2.135 -9.769 7.633
277 1HB GLU 64 1HB GLU 64 4.040 -11.343 7.838
278 2HB GLU 64 2HB GLU 64 4.940 -10.412 6.632
279 1HG GLU 64 2HG GLU 64 4.764 -8.403 8.253
280 2HG GLU 64 1HG GLU 64 4.117 -9.547 9.438
281 H LEU 65 H LEU 65 1.757 -7.634 7.493
282 HA LEU 65 HA LEU 65 2.471 -6.023 5.216
283 1HB LEU 65 2HB LEU 65 0.424 -5.732 6.607
284 2HB LEU 65 1HB LEU 65 1.433 -5.334 8.003
285 HG LEU 65 HG LEU 65 2.233 -3.282 6.870
286 1HD1 LEU 65 2HD1 LEU 65 0.431 -4.318 4.660
287 2HD1 LEU 65 3HD1 LEU 65 0.836 -2.600 4.778
288 3HD1 LEU 65 1HD1 LEU 65 2.118 -3.792 4.505
289 1HD2 LEU 65 3HD2 LEU 65 0.195 -3.269 8.278
290 2HD2 LEU 65 1HD2 LEU 65 0.088 -2.082 6.958
291 3HD2 LEU 65 2HD2 LEU 65 -0.795 -3.622 6.840
292 H GLN 66 H GLN 66 4.387 -4.889 4.887
293 HA GLN 66 HA GLN 66 6.439 -5.123 6.987
294 1HB GLN 66 2HB GLN 66 6.585 -3.809 4.254
295 2HB GLN 66 1HB GLN 66 7.943 -4.221 5.307
296 1HG GLN 66 2HG GLN 66 6.066 -6.215 3.957
297 2HG GLN 66 1HG GLN 66 7.743 -5.854 3.539
298 1HE2 GLN 66 1HE2 GLN 66 6.958 -8.467 6.582
299 2HE2 GLN 66 2HE2 GLN 66 5.658 -7.758 5.631
300 H GLU 67 H GLU 67 7.829 -3.187 7.341
301 HA GLU 67 HA GLU 67 6.455 -1.296 8.849
302 1HB GLU 67 1HB GLU 67 9.261 -0.949 7.705
303 2HB GLU 67 2HB GLU 67 8.560 -0.166 9.121
304 1HG GLU 67 1HG GLU 67 9.708 -1.797 10.207
305 2HG GLU 67 2HG GLU 67 8.215 -2.701 9.950
306 H ASP 68 H ASP 68 6.697 -1.217 5.466
307 HA ASP 68 HA ASP 68 6.705 1.716 5.190
308 1HB ASP 68 2HB ASP 68 6.686 1.386 2.882
309 2HB ASP 68 1HB ASP 68 7.795 0.157 3.495
310 H ARG 69 H ARG 69 4.526 -0.785 5.939
311 HA ARG 69 HA ARG 69 2.368 -1.144 5.846
312 1HB ARG 69 1HB ARG 69 0.997 0.462 6.833
313 2HB ARG 69 2HB ARG 69 2.533 0.341 7.685
314 1HG ARG 69 1HG ARG 69 3.258 2.495 7.003
315 2HG ARG 69 2HG ARG 69 2.127 2.580 5.668
316 1HD ARG 69 2HD ARG 69 0.391 2.285 7.849
317 2HD ARG 69 1HD ARG 69 1.723 3.196 8.550
318 HE ARG 69 HE ARG 69 0.798 5.017 7.540
319 1HH1 ARG 69 1HH2 ARG 69 0.213 2.303 5.234
320 2HH1 ARG 69 2HH2 ARG 69 -1.082 3.172 4.463
321 1HH2 ARG 69 1HH1 ARG 69 -1.043 6.018 6.449
322 2HH2 ARG 69 2HH1 ARG 69 -1.655 5.191 5.027
323 H HIS 70 H HIS 70 3.273 -1.031 3.454
324 HA HIS 70 HA HIS 70 0.940 -0.236 1.833
325 1HB HIS 70 2HB HIS 70 2.057 1.736 1.452
326 2HB HIS 70 1HB HIS 70 3.657 1.024 1.662
327 HD2 HIS 70 HD2 HIS 70 1.317 1.987 -1.244
328 HE1 HIS 70 HE1 HIS 70 4.501 -0.321 -2.801
329 HE2 HIS 70 HE2 HIS 70 2.586 1.276 -3.408
330 H SER 71 H SER 71 3.895 -2.119 2.303
331 HA SER 71 HA SER 71 3.120 -3.905 0.034
332 1HB SER 71 2HB SER 71 5.885 -3.253 1.097
333 2HB SER 71 1HB SER 71 5.488 -4.422 -0.176
334 HG SER 71 HG SER 71 4.867 -1.633 -0.306
335 H CYS 72 H CYS 72 2.830 -6.043 0.610
336 HA CYS 72 HA CYS 72 3.424 -6.874 3.429
337 1HB CYS 72 1HB CYS 72 1.525 -8.098 1.470
338 2HB CYS 72 2HB CYS 72 2.073 -8.832 2.963
339 H GLN 73 H GLN 73 4.437 -8.965 3.663
340 HA GLN 73 HA GLN 73 5.666 -10.183 1.214
341 1HB GLN 73 2HB GLN 73 6.990 -9.950 3.933
342 2HB GLN 73 1HB GLN 73 7.633 -10.841 2.562
343 1HG GLN 73 2HG GLN 73 7.134 -7.837 2.444
344 2HG GLN 73 1HG GLN 73 8.670 -8.570 2.916
345 1HE2 GLN 73 1HE2 GLN 73 7.547 -8.623 -1.041
346 2HE2 GLN 73 2HE2 GLN 73 6.328 -8.276 0.175
347 H ALA 74 H ALA 74 6.243 -12.527 1.772
348 HA ALA 74 HA ALA 74 3.705 -13.683 2.766
349 1HB ALA 74 3HB ALA 74 4.531 -14.413 0.586
350 2HB ALA 74 2HB ALA 74 6.049 -14.972 1.332
351 3HB ALA 74 1HB ALA 74 4.507 -15.751 1.753
352 H GLU 75 H GLU 75 3.624 -15.258 4.366
353 HA GLU 75 HA GLU 75 5.830 -15.246 6.374
354 1HB GLU 75 1HB GLU 75 2.913 -16.099 6.546
355 2HB GLU 75 2HB GLU 75 4.085 -16.143 7.870
356 1HG GLU 75 1HG GLU 75 4.369 -13.711 7.776
357 2HG GLU 75 2HG GLU 75 3.265 -13.591 6.399
No H/Q in entry = 357
Start of MODEL 4
1 1H ALA 23 3H ALA 23 -11.469 11.975 -3.452
2 2H ALA 23 1H ALA 23 -10.924 12.922 -4.674
3 3H ALA 23 2H ALA 23 -10.988 13.487 -3.137
4 HA ALA 23 HA ALA 23 -12.833 14.449 -4.255
5 1HB ALA 23 2HB ALA 23 -12.834 12.841 -6.150
6 2HB ALA 23 3HB ALA 23 -13.503 11.586 -5.083
7 3HB ALA 23 1HB ALA 23 -14.457 13.034 -5.468
8 H VAL 24 H VAL 24 -15.284 14.140 -3.546
9 HA VAL 24 HA VAL 24 -15.364 13.703 -0.730
10 HB VAL 24 HB VAL 24 -17.623 13.802 -2.787
11 1HG1 VAL 24 1HG2 VAL 24 -17.679 14.107 0.249
12 2HG1 VAL 24 2HG2 VAL 24 -19.041 14.436 -0.842
13 3HG1 VAL 24 3HG2 VAL 24 -18.419 12.790 -0.688
14 1HG2 VAL 24 2HG1 VAL 24 -16.415 15.974 -1.014
15 2HG2 VAL 24 3HG1 VAL 24 -16.275 15.881 -2.782
16 3HG2 VAL 24 1HG1 VAL 24 -17.852 16.158 -2.038
17 H ASP 25 H ASP 25 -16.565 11.761 -3.491
18 HA ASP 25 HA ASP 25 -17.179 9.424 -1.892
19 1HB ASP 25 2HB ASP 25 -16.857 9.736 -4.909
20 2HB ASP 25 1HB ASP 25 -17.596 8.369 -4.066
21 H LEU 26 H LEU 26 -14.836 9.771 -0.914
22 HA LEU 26 HA LEU 26 -12.658 8.783 -2.513
23 1HB LEU 26 1HB LEU 26 -11.293 9.010 -0.720
24 2HB LEU 26 2HB LEU 26 -12.440 10.338 -0.547
25 HG LEU 26 HG LEU 26 -12.365 7.722 1.042
26 1HD1 LEU 26 3HD2 LEU 26 -10.549 9.375 1.452
27 2HD1 LEU 26 2HD2 LEU 26 -11.776 10.593 1.846
28 3HD1 LEU 26 1HD2 LEU 26 -11.607 9.135 2.857
29 1HD2 LEU 26 2HD1 LEU 26 -14.195 10.138 1.408
30 2HD2 LEU 26 3HD1 LEU 26 -14.722 8.517 0.911
31 3HD2 LEU 26 1HD1 LEU 26 -14.045 8.758 2.520
32 H ASP 27 H ASP 27 -11.893 6.765 -2.722
33 HA ASP 27 HA ASP 27 -12.934 4.579 -1.024
34 1HB ASP 27 2HB ASP 27 -14.333 4.537 -3.041
35 2HB ASP 27 1HB ASP 27 -12.903 4.614 -4.080
36 H GLU 28 H GLU 28 -11.601 3.023 -0.619
37 HA GLU 28 HA GLU 28 -8.992 3.476 -0.013
38 1HB GLU 28 1HB GLU 28 -8.751 1.244 0.475
39 2HB GLU 28 2HB GLU 28 -10.405 1.717 0.836
40 1HG GLU 28 2HG GLU 28 -10.706 0.867 -1.696
41 2HG GLU 28 1HG GLU 28 -9.348 -0.157 -1.266
42 H CYS 29 H CYS 29 -7.705 4.438 -1.387
43 HA CYS 29 HA CYS 29 -6.274 4.775 -3.088
44 1HB CYS 29 2HB CYS 29 -4.622 3.200 -3.194
45 2HB CYS 29 1HB CYS 29 -5.419 2.924 -1.640
46 H ALA 30 H ALA 30 -8.910 4.532 -3.960
47 HA ALA 30 HA ALA 30 -8.458 3.674 -6.803
48 1HB ALA 30 2HB ALA 30 -11.001 3.697 -5.126
49 2HB ALA 30 1HB ALA 30 -10.929 3.388 -6.877
50 3HB ALA 30 3HB ALA 30 -10.135 2.281 -5.737
51 H SER 31 H SER 31 -10.877 5.776 -5.133
52 HA SER 31 HA SER 31 -10.390 7.920 -7.085
53 1HB SER 31 1HB SER 31 -12.330 8.937 -5.804
54 2HB SER 31 2HB SER 31 -12.673 7.402 -6.628
55 HG SER 31 HG SER 31 -13.403 7.516 -4.403
56 H ARG 32 H ARG 32 -9.884 7.181 -3.668
57 HA ARG 32 HA ARG 32 -8.714 8.139 -2.008
58 1HB ARG 32 2HB ARG 32 -7.281 9.785 -4.154
59 2HB ARG 32 1HB ARG 32 -6.793 9.578 -2.485
60 1HG ARG 32 2HG ARG 32 -5.453 8.014 -3.315
61 2HG ARG 32 1HG ARG 32 -6.886 6.989 -3.086
62 1HD ARG 32 1HD ARG 32 -5.943 6.555 -5.285
63 2HD ARG 32 2HD ARG 32 -7.447 7.457 -5.511
64 HE ARG 32 HE ARG 32 -5.139 9.190 -5.325
65 1HH1 ARG 32 2HH2 ARG 32 -7.063 7.193 -7.567
66 2HH1 ARG 32 1HH2 ARG 32 -6.335 7.896 -8.983
67 1HH2 ARG 32 1HH1 ARG 32 -4.210 10.101 -7.189
68 2HH2 ARG 32 2HH1 ARG 32 -4.673 9.559 -8.771
69 H SER 33 H SER 33 -8.096 10.218 -0.868
70 HA SER 33 HA SER 33 -10.318 12.080 -0.735
71 1HB SER 33 2HB SER 33 -8.559 13.077 0.931
72 2HB SER 33 1HB SER 33 -9.203 11.468 1.311
73 HG SER 33 HG SER 33 -6.879 11.551 1.419
74 H LYS 34 H LYS 34 -6.835 12.308 -1.147
75 HA LYS 34 HA LYS 34 -6.915 14.762 -2.760
76 1HB LYS 34 1HB LYS 34 -4.521 13.047 -1.999
77 2HB LYS 34 2HB LYS 34 -4.533 14.725 -2.563
78 1HG LYS 34 1HG LYS 34 -5.810 15.336 -0.463
79 2HG LYS 34 2HG LYS 34 -5.630 13.655 0.080
80 1HD LYS 34 1HD LYS 34 -3.102 13.936 -0.191
81 2HD LYS 34 2HD LYS 34 -3.404 15.650 -0.493
82 1HE LYS 34 1HE LYS 34 -2.824 15.420 1.824
83 2HE LYS 34 2HE LYS 34 -4.556 15.784 1.765
84 1HZ LYS 34 2HZ LYS 34 -3.361 13.112 2.092
85 2HZ LYS 34 3HZ LYS 34 -4.016 14.021 3.296
86 3HZ LYS 34 1HZ LYS 34 -4.976 13.431 2.102
87 H SER 35 H SER 35 -8.176 13.783 -4.521
88 HA SER 35 HA SER 35 -7.218 11.631 -6.126
89 1HB SER 35 1HB SER 35 -9.047 13.937 -6.917
90 2HB SER 35 2HB SER 35 -8.910 12.359 -7.714
91 HG SER 35 HG SER 35 -9.560 11.399 -5.733
92 H GLY 36 H GLY 36 -4.881 12.438 -6.127
93 1HA GLY 36 2HA GLY 36 -4.324 13.644 -8.770
94 2HA GLY 36 1HA GLY 36 -3.636 14.440 -7.333
95 H GLU 37 H GLU 37 -1.805 13.524 -9.036
96 HA GLU 37 HA GLU 37 -0.896 10.840 -8.082
97 1HB GLU 37 1HB GLU 37 0.056 12.383 -10.526
98 2HB GLU 37 2HB GLU 37 0.404 10.704 -10.093
99 1HG GLU 37 2HG GLU 37 -2.270 11.866 -11.003
100 2HG GLU 37 1HG GLU 37 -1.238 10.733 -11.876
101 H GLU 38 H GLU 38 1.406 10.697 -7.604
102 HA GLU 38 HA GLU 38 3.106 11.331 -6.231
103 1HB GLU 38 2HB GLU 38 3.282 13.726 -8.096
104 2HB GLU 38 1HB GLU 38 4.594 12.912 -7.234
105 1HG GLU 38 2HG GLU 38 2.972 11.853 -9.594
106 2HG GLU 38 1HG GLU 38 4.691 12.239 -9.550
107 H ASP 39 H ASP 39 0.936 11.869 -4.903
108 HA ASP 39 HA ASP 39 1.622 14.135 -3.235
109 1HB ASP 39 1HB ASP 39 0.396 15.407 -4.827
110 2HB ASP 39 2HB ASP 39 -0.939 14.264 -4.871
111 HA PRO 40 HA PRO 40 -1.690 11.559 -0.996
112 1HB PRO 40 1HB PRO 40 -2.812 9.342 -2.234
113 2HB PRO 40 2HB PRO 40 -3.539 10.970 -2.266
114 1HG PRO 40 2HG PRO 40 -1.756 9.686 -4.352
115 2HG PRO 40 1HG PRO 40 -3.332 10.499 -4.597
116 1HD PRO 40 1HD PRO 40 -1.056 11.836 -5.033
117 2HD PRO 40 2HD PRO 40 -2.386 12.634 -4.151
118 H GLN 41 H GLN 41 -1.325 9.559 0.194
119 HA GLN 41 HA GLN 41 1.333 8.703 0.198
120 1HB GLN 41 2HB GLN 41 0.730 7.168 1.883
121 2HB GLN 41 1HB GLN 41 -0.250 8.608 2.130
122 1HG GLN 41 1HG GLN 41 -1.233 5.981 0.886
123 2HG GLN 41 2HG GLN 41 -1.449 6.484 2.556
124 1HE2 GLN 41 2HE2 GLN 41 -3.777 8.186 -0.376
125 2HE2 GLN 41 1HE2 GLN 41 -2.219 7.478 -0.810
126 HA PRO 42 HA PRO 42 1.482 5.696 -3.095
127 1HB PRO 42 2HB PRO 42 3.007 3.924 -1.190
128 2HB PRO 42 1HB PRO 42 3.409 4.339 -2.877
129 1HG PRO 42 1HG PRO 42 4.696 5.582 -0.835
130 2HG PRO 42 2HG PRO 42 4.126 6.527 -2.241
131 1HD PRO 42 2HD PRO 42 2.823 6.280 0.478
132 2HD PRO 42 1HD PRO 42 3.081 7.718 -0.557
133 H GLN 43 H GLN 43 1.027 3.262 -3.560
134 HA GLN 43 HA GLN 43 -1.507 2.635 -2.282
135 1HB GLN 43 2HB GLN 43 -1.058 2.528 -4.746
136 2HB GLN 43 1HB GLN 43 -0.034 1.126 -4.484
137 1HG GLN 43 1HG GLN 43 -2.191 0.089 -3.323
138 2HG GLN 43 2HG GLN 43 -3.016 1.481 -4.023
139 1HE2 GLN 43 1HE2 GLN 43 -1.923 -1.660 -6.401
140 2HE2 GLN 43 2HE2 GLN 43 -1.433 -1.621 -4.715
141 H CYS 44 H CYS 44 0.013 -0.235 -3.127
142 HA CYS 44 HA CYS 44 1.628 -1.246 -1.296
143 1HB CYS 44 2HB CYS 44 0.202 -2.413 0.366
144 2HB CYS 44 1HB CYS 44 0.172 -0.688 0.627
145 H GLN 45 H GLN 45 1.447 -3.654 -1.275
146 HA GLN 45 HA GLN 45 0.875 -4.611 -3.866
147 1HB GLN 45 2HB GLN 45 1.944 -5.608 -1.271
148 2HB GLN 45 1HB GLN 45 1.201 -6.840 -2.253
149 1HG GLN 45 2HG GLN 45 3.554 -6.644 -2.607
150 2HG GLN 45 1HG GLN 45 2.602 -6.519 -4.090
151 1HE2 GLN 45 2HE2 GLN 45 4.351 -2.980 -2.849
152 2HE2 GLN 45 1HE2 GLN 45 3.551 -3.968 -1.638
153 H HIS 46 H HIS 46 -0.924 -5.151 -0.802
154 HA HIS 46 HA HIS 46 -2.893 -6.847 -2.308
155 1HB HIS 46 1HB HIS 46 -2.016 -6.707 0.558
156 2HB HIS 46 2HB HIS 46 -3.467 -7.567 0.056
157 HD2 HIS 46 HD2 HIS 46 -0.452 -8.175 -2.324
158 HE1 HIS 46 HE1 HIS 46 -0.818 -11.492 0.252
159 HE2 HIS 46 HE2 HIS 46 0.390 -10.583 -1.786
160 H LEU 47 H LEU 47 -3.586 -5.353 0.806
161 HA LEU 47 HA LEU 47 -6.129 -4.474 -0.455
162 1HB LEU 47 2HB LEU 47 -5.426 -6.213 1.733
163 2HB LEU 47 1HB LEU 47 -6.179 -4.789 2.440
164 HG LEU 47 HG LEU 47 -7.385 -6.425 0.165
165 1HD1 LEU 47 2HD2 LEU 47 -7.932 -6.501 3.167
166 2HD1 LEU 47 1HD2 LEU 47 -8.843 -7.382 1.917
167 3HD1 LEU 47 3HD2 LEU 47 -7.143 -7.776 2.217
168 1HD2 LEU 47 1HD1 LEU 47 -8.460 -4.223 1.994
169 2HD2 LEU 47 2HD1 LEU 47 -8.225 -4.115 0.239
170 3HD2 LEU 47 3HD1 LEU 47 -9.460 -5.197 0.889
171 H CYS 48 H CYS 48 -6.942 -2.439 -0.010
172 HA CYS 48 HA CYS 48 -5.302 -0.572 1.636
173 1HB CYS 48 2HB CYS 48 -7.080 0.153 -0.692
174 2HB CYS 48 1HB CYS 48 -6.086 1.220 0.331
175 H HIS 49 H HIS 49 -6.657 0.935 2.896
176 HA HIS 49 HA HIS 49 -9.596 0.401 3.021
177 1HB HIS 49 1HB HIS 49 -7.737 0.558 5.405
178 2HB HIS 49 2HB HIS 49 -9.502 0.438 5.458
179 HD2 HIS 49 HD2 HIS 49 -6.319 -1.714 5.245
180 HE1 HIS 49 HE1 HIS 49 -9.655 -4.299 5.428
181 HE2 HIS 49 HE2 HIS 49 -7.094 -4.120 5.719
182 H ASN 50 H ASN 50 -10.583 2.430 2.926
183 HA ASN 50 HA ASN 50 -8.829 4.787 3.238
184 1HB ASN 50 2HB ASN 50 -10.875 4.252 1.421
185 2HB ASN 50 1HB ASN 50 -11.587 5.417 2.528
186 1HD2 ASN 50 2HD2 ASN 50 -8.866 6.669 -0.214
187 2HD2 ASN 50 1HD2 ASN 50 -9.737 5.180 -0.275
188 H TYR 51 H TYR 51 -9.300 6.590 4.537
189 HA TYR 51 HA TYR 51 -11.365 6.491 6.533
190 1HB TYR 51 2HB TYR 51 -10.087 6.259 8.482
191 2HB TYR 51 1HB TYR 51 -9.546 4.948 7.466
192 HD1 TYR 51 HD1 TYR 51 -7.394 5.480 5.997
193 HD2 TYR 51 HD2 TYR 51 -8.442 7.444 9.666
194 HE1 TYR 51 HE1 TYR 51 -5.065 6.351 6.192
195 HE2 TYR 51 HE2 TYR 51 -6.141 8.317 9.868
196 HH TYR 51 HH TYR 51 -4.070 8.494 8.866
197 H VAL 52 H VAL 52 -10.138 8.601 8.206
198 HA VAL 52 HA VAL 52 -10.462 10.715 6.340
199 HB VAL 52 HB VAL 52 -11.146 10.656 8.791
200 1HG1 VAL 52 1HG2 VAL 52 -9.079 9.688 9.765
201 2HG1 VAL 52 2HG2 VAL 52 -8.181 11.157 9.335
202 3HG1 VAL 52 3HG2 VAL 52 -9.501 11.230 10.515
203 1HG2 VAL 52 2HG1 VAL 52 -11.051 12.719 7.487
204 2HG2 VAL 52 3HG1 VAL 52 -10.701 12.967 9.215
205 3HG2 VAL 52 1HG1 VAL 52 -9.368 12.978 8.031
206 H GLY 53 H GLY 53 -9.090 12.268 5.607
207 1HA GLY 53 2HA GLY 53 -7.084 13.163 4.922
208 2HA GLY 53 1HA GLY 53 -6.213 12.062 5.996
209 H GLY 54 H GLY 54 -7.418 9.576 4.887
210 1HA GLY 54 1HA GLY 54 -7.032 9.242 2.143
211 2HA GLY 54 2HA GLY 54 -5.403 9.200 2.845
212 H TYR 55 H TYR 55 -5.020 6.947 2.475
213 HA TYR 55 HA TYR 55 -6.812 5.085 3.948
214 1HB TYR 55 2HB TYR 55 -6.661 3.459 2.127
215 2HB TYR 55 1HB TYR 55 -7.402 4.954 1.579
216 HD1 TYR 55 HD1 TYR 55 -4.381 2.820 1.420
217 HD2 TYR 55 HD2 TYR 55 -6.565 6.076 -0.316
218 HE1 TYR 55 HE1 TYR 55 -2.540 3.162 -0.190
219 HE2 TYR 55 HE2 TYR 55 -4.775 6.333 -2.028
220 HH TYR 55 HH TYR 55 -1.651 5.082 -1.709
221 H PHE 56 H PHE 56 -6.000 3.144 4.591
222 HA PHE 56 HA PHE 56 -3.031 2.949 4.886
223 1HB PHE 56 1HB PHE 56 -3.387 1.631 6.891
224 2HB PHE 56 2HB PHE 56 -4.066 3.206 7.057
225 HD1 PHE 56 HD2 PHE 56 -6.630 3.491 6.915
226 HD2 PHE 56 HD1 PHE 56 -4.731 -0.373 7.165
227 HE1 PHE 56 HE2 PHE 56 -8.669 2.552 7.951
228 HE2 PHE 56 HE1 PHE 56 -6.766 -1.303 8.199
229 HZ PHE 56 HZ PHE 56 -8.736 0.156 8.620
230 H CYS 57 H CYS 57 -2.897 0.319 5.458
231 HA CYS 57 HA CYS 57 -4.302 -1.167 3.359
232 1HB CYS 57 2HB CYS 57 -1.297 -0.795 3.413
233 2HB CYS 57 1HB CYS 57 -2.037 -2.135 2.584
234 H SER 58 H SER 58 -3.509 -3.439 3.232
235 HA SER 58 HA SER 58 -2.703 -4.773 5.665
236 1HB SER 58 2HB SER 58 -5.578 -5.138 4.711
237 2HB SER 58 1HB SER 58 -4.811 -5.980 6.060
238 HG SER 58 HG SER 58 -4.487 -3.439 6.576
239 H CYS 59 H CYS 59 -3.265 -7.303 5.201
240 HA CYS 59 HA CYS 59 -2.631 -7.858 2.342
241 1HB CYS 59 1HB CYS 59 -1.574 -9.376 4.749
242 2HB CYS 59 2HB CYS 59 -1.141 -9.570 3.051
243 H ARG 60 H ARG 60 -3.170 -10.000 1.655
244 HA ARG 60 HA ARG 60 -5.693 -11.012 2.761
245 1HB ARG 60 2HB ARG 60 -3.816 -11.950 0.552
246 2HB ARG 60 1HB ARG 60 -5.194 -12.911 1.079
247 1HG ARG 60 1HG ARG 60 -5.717 -11.592 -0.925
248 2HG ARG 60 2HG ARG 60 -6.783 -11.190 0.431
249 1HD ARG 60 1HD ARG 60 -5.633 -9.125 0.846
250 2HD ARG 60 2HD ARG 60 -4.291 -9.598 -0.194
251 HE ARG 60 HE ARG 60 -6.961 -8.598 -0.981
252 1HH1 ARG 60 2HH2 ARG 60 -3.865 -9.873 -2.135
253 2HH1 ARG 60 1HH2 ARG 60 -3.848 -8.894 -3.577
254 1HH2 ARG 60 2HH1 ARG 60 -6.920 -7.295 -2.844
255 2HH2 ARG 60 1HH1 ARG 60 -5.609 -7.408 -3.982
256 HA PRO 61 HA PRO 61 -3.882 -13.569 5.827
257 1HB PRO 61 1HB PRO 61 -5.212 -16.016 4.751
258 2HB PRO 61 2HB PRO 61 -5.243 -15.384 6.416
259 1HG PRO 61 2HG PRO 61 -7.416 -15.026 4.800
260 2HG PRO 61 1HG PRO 61 -6.844 -13.714 5.872
261 1HD PRO 61 2HD PRO 61 -6.360 -14.033 2.908
262 2HD PRO 61 1HD PRO 61 -6.798 -12.572 3.843
263 H GLY 62 H GLY 62 -2.230 -15.086 6.213
264 1HA GLY 62 2HA GLY 62 -0.425 -16.450 5.731
265 2HA GLY 62 1HA GLY 62 -1.017 -16.672 4.080
266 H TYR 63 H TYR 63 -0.778 -13.312 4.995
267 HA TYR 63 HA TYR 63 1.982 -13.036 4.212
268 1HB TYR 63 2HB TYR 63 -0.268 -11.548 2.769
269 2HB TYR 63 1HB TYR 63 1.436 -11.211 2.604
270 HD1 TYR 63 HD1 TYR 63 -1.146 -13.844 2.022
271 HD2 TYR 63 HD2 TYR 63 2.626 -12.177 0.814
272 HE1 TYR 63 HE1 TYR 63 -1.150 -15.294 0.029
273 HE2 TYR 63 HE2 TYR 63 2.622 -13.604 -1.194
274 HH TYR 63 HH TYR 63 -0.002 -15.940 -1.870
275 H GLU 64 H GLU 64 2.820 -10.910 4.825
276 HA GLU 64 HA GLU 64 1.115 -9.463 6.785
277 1HB GLU 64 2HB GLU 64 3.921 -10.509 7.337
278 2HB GLU 64 1HB GLU 64 3.011 -9.433 8.392
279 1HG GLU 64 1HG GLU 64 2.191 -12.282 7.649
280 2HG GLU 64 2HG GLU 64 2.926 -11.781 9.171
281 H LEU 65 H LEU 65 1.468 -7.328 6.889
282 HA LEU 65 HA LEU 65 2.939 -6.145 4.702
283 1HB LEU 65 1HB LEU 65 1.102 -5.186 6.878
284 2HB LEU 65 2HB LEU 65 2.363 -4.051 6.425
285 HG LEU 65 HG LEU 65 0.220 -5.129 4.580
286 1HD1 LEU 65 3HD2 LEU 65 -0.464 -3.410 6.149
287 2HD1 LEU 65 2HD2 LEU 65 0.884 -2.376 5.641
288 3HD1 LEU 65 1HD2 LEU 65 -0.401 -2.779 4.489
289 1HD2 LEU 65 1HD1 LEU 65 2.749 -3.546 3.996
290 2HD2 LEU 65 3HD1 LEU 65 2.119 -4.938 3.117
291 3HD2 LEU 65 2HD1 LEU 65 1.292 -3.397 2.976
292 H GLN 66 H GLN 66 4.962 -5.458 4.709
293 HA GLN 66 HA GLN 66 6.561 -5.715 7.197
294 1HB GLN 66 1HB GLN 66 7.460 -4.683 4.489
295 2HB GLN 66 2HB GLN 66 8.482 -5.219 5.833
296 1HG GLN 66 1HG GLN 66 6.620 -6.943 4.161
297 2HG GLN 66 2HG GLN 66 8.377 -6.952 4.158
298 1HE2 GLN 66 1HE2 GLN 66 6.490 -9.522 6.561
299 2HE2 GLN 66 2HE2 GLN 66 5.562 -8.461 5.522
300 H GLU 67 H GLU 67 8.145 -3.803 7.595
301 HA GLU 67 HA GLU 67 6.708 -1.771 8.746
302 1HB GLU 67 1HB GLU 67 9.616 -1.520 7.842
303 2HB GLU 67 2HB GLU 67 8.800 -0.611 9.114
304 1HG GLU 67 1HG GLU 67 9.856 -2.148 10.421
305 2HG GLU 67 2HG GLU 67 8.350 -3.028 10.156
306 H ASP 68 H ASP 68 7.593 -1.817 5.429
307 HA ASP 68 HA ASP 68 7.438 1.063 5.010
308 1HB ASP 68 2HB ASP 68 7.598 0.616 2.688
309 2HB ASP 68 1HB ASP 68 8.768 -0.412 3.519
310 H ARG 69 H ARG 69 5.166 -1.444 5.472
311 HA ARG 69 HA ARG 69 3.029 -1.706 5.390
312 1HB ARG 69 2HB ARG 69 1.575 -0.048 5.904
313 2HB ARG 69 1HB ARG 69 3.110 0.457 6.611
314 1HG ARG 69 2HG ARG 69 3.202 2.365 5.354
315 2HG ARG 69 1HG ARG 69 2.660 1.578 3.885
316 1HD ARG 69 2HD ARG 69 0.285 1.486 4.996
317 2HD ARG 69 1HD ARG 69 0.936 2.741 6.054
318 HE ARG 69 HE ARG 69 0.859 4.231 4.289
319 1HH1 ARG 69 2HH1 ARG 69 0.599 0.925 2.921
320 2HH1 ARG 69 1HH1 ARG 69 -0.037 1.507 1.400
321 1HH2 ARG 69 2HH2 ARG 69 0.224 4.917 2.223
322 2HH2 ARG 69 1HH2 ARG 69 -0.076 3.773 0.938
323 H HIS 70 H HIS 70 4.596 -1.433 2.845
324 HA HIS 70 HA HIS 70 2.303 -1.225 0.934
325 1HB HIS 70 1HB HIS 70 5.268 -0.901 0.338
326 2HB HIS 70 2HB HIS 70 3.934 -0.690 -0.792
327 HD2 HIS 70 HD2 HIS 70 2.052 1.437 0.429
328 HE1 HIS 70 HE1 HIS 70 5.454 3.591 1.718
329 HE2 HIS 70 HE2 HIS 70 2.909 3.688 1.443
330 H SER 71 H SER 71 5.120 -3.046 2.034
331 HA SER 71 HA SER 71 4.830 -5.046 -0.139
332 1HB SER 71 2HB SER 71 6.895 -4.784 2.071
333 2HB SER 71 1HB SER 71 6.896 -5.980 0.763
334 HG SER 71 HG SER 71 7.178 -3.165 0.555
335 H CYS 72 H CYS 72 3.215 -6.499 0.174
336 HA CYS 72 HA CYS 72 2.849 -7.763 2.853
337 1HB CYS 72 2HB CYS 72 1.207 -7.927 0.286
338 2HB CYS 72 1HB CYS 72 0.989 -8.974 1.665
339 H GLN 73 H GLN 73 4.794 -8.982 2.897
340 HA GLN 73 HA GLN 73 5.198 -10.952 0.660
341 1HB GLN 73 1HB GLN 73 7.245 -11.649 1.926
342 2HB GLN 73 2HB GLN 73 7.277 -10.065 1.181
343 1HG GLN 73 1HG GLN 73 6.842 -9.007 3.335
344 2HG GLN 73 2HG GLN 73 6.646 -10.580 4.126
345 1HE2 GLN 73 2HE2 GLN 73 10.135 -11.017 4.607
346 2HE2 GLN 73 1HE2 GLN 73 8.509 -11.648 4.869
347 H ALA 74 H ALA 74 5.721 -13.150 1.468
348 HA ALA 74 HA ALA 74 3.405 -14.126 2.991
349 1HB ALA 74 1HB ALA 74 4.059 -15.264 0.991
350 2HB ALA 74 2HB ALA 74 5.667 -15.622 1.682
351 3HB ALA 74 3HB ALA 74 4.194 -16.320 2.415
352 H GLU 75 H GLU 75 4.137 -12.839 4.723
353 HA GLU 75 HA GLU 75 4.495 -12.777 6.981
354 1HB GLU 75 2HB GLU 75 6.527 -15.022 6.754
355 2HB GLU 75 1HB GLU 75 5.883 -14.284 8.217
356 1HG GLU 75 1HG GLU 75 4.325 -16.006 6.230
357 2HG GLU 75 2HG GLU 75 4.780 -16.418 7.880
No H/Q in entry = 357
Start of MODEL 5
1 1H ALA 23 3H ALA 23 -12.003 8.618 -1.019
2 2H ALA 23 2H ALA 23 -10.972 7.489 -0.394
3 3H ALA 23 1H ALA 23 -12.578 7.132 -0.677
4 HA ALA 23 HA ALA 23 -12.689 7.422 1.534
5 1HB ALA 23 3HB ALA 23 -10.648 9.650 1.219
6 2HB ALA 23 1HB ALA 23 -11.467 9.229 2.743
7 3HB ALA 23 2HB ALA 23 -10.413 8.060 1.943
8 H VAL 24 H VAL 24 -12.393 10.907 1.423
9 HA VAL 24 HA VAL 24 -15.313 11.192 1.093
10 HB VAL 24 HB VAL 24 -13.175 13.371 1.244
11 1HG1 VAL 24 1HG2 VAL 24 -16.185 13.415 1.695
12 2HG1 VAL 24 3HG2 VAL 24 -15.076 14.786 1.899
13 3HG1 VAL 24 2HG2 VAL 24 -15.331 14.091 0.292
14 1HG2 VAL 24 2HG1 VAL 24 -14.839 12.123 3.478
15 2HG2 VAL 24 3HG1 VAL 24 -13.071 12.032 3.317
16 3HG2 VAL 24 1HG1 VAL 24 -13.847 13.589 3.627
17 H ASP 25 H ASP 25 -12.214 11.831 -0.510
18 HA ASP 25 HA ASP 25 -13.281 12.428 -3.157
19 1HB ASP 25 2HB ASP 25 -10.993 12.281 -3.839
20 2HB ASP 25 1HB ASP 25 -10.930 13.023 -2.241
21 H LEU 26 H LEU 26 -12.452 10.716 -4.950
22 HA LEU 26 HA LEU 26 -13.888 8.348 -4.662
23 1HB LEU 26 1HB LEU 26 -12.955 7.607 -6.656
24 2HB LEU 26 2HB LEU 26 -13.022 9.359 -6.822
25 HG LEU 26 HG LEU 26 -10.528 7.691 -6.176
26 1HD1 LEU 26 2HD2 LEU 26 -11.367 7.351 -8.459
27 2HD1 LEU 26 1HD2 LEU 26 -11.362 9.108 -8.732
28 3HD1 LEU 26 3HD2 LEU 26 -9.836 8.241 -8.455
29 1HD2 LEU 26 1HD1 LEU 26 -10.815 10.679 -6.743
30 2HD2 LEU 26 3HD1 LEU 26 -10.268 9.935 -5.222
31 3HD2 LEU 26 2HD1 LEU 26 -9.282 9.788 -6.675
32 H ASP 27 H ASP 27 -13.196 6.165 -4.385
33 HA ASP 27 HA ASP 27 -11.284 5.853 -2.176
34 1HB ASP 27 2HB ASP 27 -12.976 3.851 -3.701
35 2HB ASP 27 1HB ASP 27 -11.867 3.429 -2.392
36 H GLU 28 H GLU 28 -9.566 6.754 -3.142
37 HA GLU 28 HA GLU 28 -8.097 6.359 -5.280
38 1HB GLU 28 1HB GLU 28 -6.462 6.090 -2.774
39 2HB GLU 28 2HB GLU 28 -6.244 7.101 -4.186
40 1HG GLU 28 1HG GLU 28 -6.753 8.622 -2.533
41 2HG GLU 28 2HG GLU 28 -8.343 8.405 -3.264
42 H CYS 29 H CYS 29 -8.348 3.912 -2.762
43 HA CYS 29 HA CYS 29 -6.251 2.169 -3.452
44 1HB CYS 29 1HB CYS 29 -7.706 2.052 -1.421
45 2HB CYS 29 2HB CYS 29 -9.023 1.440 -2.428
46 H ALA 30 H ALA 30 -9.499 2.507 -4.901
47 HA ALA 30 HA ALA 30 -9.364 0.058 -6.438
48 1HB ALA 30 1HB ALA 30 -11.497 1.126 -5.825
49 2HB ALA 30 2HB ALA 30 -11.081 2.553 -6.799
50 3HB ALA 30 3HB ALA 30 -11.333 0.981 -7.587
51 H SER 31 H SER 31 -8.810 3.559 -7.212
52 HA SER 31 HA SER 31 -8.058 3.000 -9.956
53 1HB SER 31 2HB SER 31 -7.484 5.521 -9.743
54 2HB SER 31 1HB SER 31 -9.177 5.026 -9.564
55 HG SER 31 HG SER 31 -7.641 6.273 -7.763
56 H ARG 32 H ARG 32 -6.389 3.171 -6.892
57 HA ARG 32 HA ARG 32 -4.238 3.081 -6.261
58 1HB ARG 32 1HB ARG 32 -4.389 1.302 -8.526
59 2HB ARG 32 2HB ARG 32 -2.880 2.173 -8.672
60 1HG ARG 32 2HG ARG 32 -2.487 0.161 -7.454
61 2HG ARG 32 1HG ARG 32 -2.314 1.496 -6.305
62 1HD ARG 32 1HD ARG 32 -4.487 1.022 -5.325
63 2HD ARG 32 2HD ARG 32 -4.864 -0.109 -6.641
64 HE ARG 32 HE ARG 32 -2.476 -0.904 -5.192
65 1HH1 ARG 32 2HH1 ARG 32 -6.011 -0.850 -4.914
66 2HH1 ARG 32 1HH1 ARG 32 -6.090 -2.428 -4.166
67 1HH2 ARG 32 1HH2 ARG 32 -2.578 -2.930 -4.223
68 2HH2 ARG 32 2HH2 ARG 32 -4.102 -3.636 -3.746
69 H SER 33 H SER 33 -5.342 5.470 -7.101
70 HA SER 33 HA SER 33 -3.226 6.877 -8.654
71 1HB SER 33 2HB SER 33 -4.986 8.637 -8.837
72 2HB SER 33 1HB SER 33 -5.461 7.078 -9.529
73 HG SER 33 HG SER 33 -6.375 8.370 -7.210
74 H LYS 34 H LYS 34 -2.345 8.840 -7.853
75 HA LYS 34 HA LYS 34 -2.067 9.088 -4.940
76 1HB LYS 34 2HB LYS 34 -1.235 10.782 -7.344
77 2HB LYS 34 1HB LYS 34 -0.902 11.259 -5.679
78 1HG LYS 34 2HG LYS 34 0.019 8.563 -6.746
79 2HG LYS 34 1HG LYS 34 0.945 10.047 -7.036
80 1HD LYS 34 1HD LYS 34 1.104 10.478 -4.615
81 2HD LYS 34 2HD LYS 34 0.170 9.008 -4.273
82 1HE LYS 34 1HE LYS 34 1.904 7.620 -5.312
83 2HE LYS 34 2HE LYS 34 2.834 9.058 -5.769
84 1HZ LYS 34 3HZ LYS 34 2.194 8.349 -2.991
85 2HZ LYS 34 1HZ LYS 34 3.621 7.996 -3.747
86 3HZ LYS 34 2HZ LYS 34 3.167 9.561 -3.504
87 H SER 35 H SER 35 -4.081 9.602 -4.019
88 HA SER 35 HA SER 35 -5.327 12.142 -4.918
89 1HB SER 35 2HB SER 35 -6.991 9.603 -4.773
90 2HB SER 35 1HB SER 35 -7.474 11.196 -5.364
91 HG SER 35 HG SER 35 -5.565 10.764 -6.894
92 H GLY 36 H GLY 36 -4.558 10.112 -2.286
93 1HA GLY 36 1HA GLY 36 -6.731 10.560 -0.554
94 2HA GLY 36 2HA GLY 36 -5.075 10.275 -0.048
95 H GLU 37 H GLU 37 -7.522 12.344 0.215
96 HA GLU 37 HA GLU 37 -7.028 14.925 -0.365
97 1HB GLU 37 1HB GLU 37 -8.101 13.959 2.330
98 2HB GLU 37 2HB GLU 37 -8.354 15.525 1.558
99 1HG GLU 37 2HG GLU 37 -10.308 14.554 0.961
100 2HG GLU 37 1HG GLU 37 -9.347 14.072 -0.439
101 H GLU 38 H GLU 38 -5.680 13.257 2.483
102 HA GLU 38 HA GLU 38 -3.468 15.235 2.570
103 1HB GLU 38 2HB GLU 38 -4.990 14.355 5.080
104 2HB GLU 38 1HB GLU 38 -3.514 15.309 5.010
105 1HG GLU 38 1HG GLU 38 -5.190 16.895 5.397
106 2HG GLU 38 2HG GLU 38 -4.784 17.072 3.686
107 H ASP 39 H ASP 39 -3.399 12.945 1.248
108 HA ASP 39 HA ASP 39 -1.368 11.391 2.682
109 1HB ASP 39 1HB ASP 39 -3.361 10.398 3.672
110 2HB ASP 39 2HB ASP 39 -4.091 10.242 2.068
111 HA PRO 40 HA PRO 40 -1.019 11.243 -1.960
112 1HB PRO 40 1HB PRO 40 1.638 11.734 -2.219
113 2HB PRO 40 2HB PRO 40 0.475 13.040 -1.862
114 1HG PRO 40 2HG PRO 40 2.200 11.530 0.119
115 2HG PRO 40 1HG PRO 40 2.024 13.300 -0.045
116 1HD PRO 40 1HD PRO 40 0.603 11.824 1.769
117 2HD PRO 40 2HD PRO 40 -0.116 13.260 0.979
118 H GLN 41 H GLN 41 -1.671 9.072 -0.900
119 HA GLN 41 HA GLN 41 0.242 7.260 0.025
120 1HB GLN 41 1HB GLN 41 -1.634 5.552 -0.783
121 2HB GLN 41 2HB GLN 41 -1.696 6.466 0.709
122 1HG GLN 41 1HG GLN 41 -3.859 6.429 -0.439
123 2HG GLN 41 2HG GLN 41 -3.269 8.041 -0.177
124 1HE2 GLN 41 1HE2 GLN 41 -3.479 6.673 -4.069
125 2HE2 GLN 41 2HE2 GLN 41 -3.064 5.499 -2.828
126 HA PRO 42 HA PRO 42 1.866 5.786 -3.921
127 1HB PRO 42 1HB PRO 42 3.467 3.732 -2.874
128 2HB PRO 42 2HB PRO 42 3.956 5.420 -3.161
129 1HG PRO 42 1HG PRO 42 3.351 4.102 -0.578
130 2HG PRO 42 2HG PRO 42 4.315 5.551 -0.900
131 1HD PRO 42 2HD PRO 42 1.665 5.486 0.110
132 2HD PRO 42 1HD PRO 42 2.524 6.922 -0.518
133 H GLN 43 H GLN 43 1.721 3.752 -5.092
134 HA GLN 43 HA GLN 43 -0.829 2.599 -4.965
135 1HB GLN 43 1HB GLN 43 1.755 1.778 -6.372
136 2HB GLN 43 2HB GLN 43 0.226 0.929 -6.600
137 1HG GLN 43 1HG GLN 43 0.518 2.502 -8.405
138 2HG GLN 43 2HG GLN 43 -0.857 2.957 -7.398
139 1HE2 GLN 43 1HE2 GLN 43 0.427 6.251 -7.595
140 2HE2 GLN 43 2HE2 GLN 43 -0.876 5.138 -8.021
141 H CYS 44 H CYS 44 -1.567 1.308 -3.323
142 HA CYS 44 HA CYS 44 0.265 -0.195 -1.705
143 1HB CYS 44 2HB CYS 44 -2.664 0.268 -1.676
144 2HB CYS 44 1HB CYS 44 -2.114 -1.246 -0.953
145 H GLN 45 H GLN 45 0.296 -2.257 -1.224
146 HA GLN 45 HA GLN 45 0.822 -4.074 -3.280
147 1HB GLN 45 2HB GLN 45 1.195 -5.655 -1.483
148 2HB GLN 45 1HB GLN 45 2.057 -4.131 -1.322
149 1HG GLN 45 1HG GLN 45 0.169 -5.575 0.409
150 2HG GLN 45 2HG GLN 45 1.547 -4.582 0.850
151 1HE2 GLN 45 2HE2 GLN 45 -2.263 -3.182 0.806
152 2HE2 GLN 45 1HE2 GLN 45 -1.798 -4.790 1.228
153 H HIS 46 H HIS 46 -1.284 -5.320 -0.757
154 HA HIS 46 HA HIS 46 -2.824 -6.835 -2.746
155 1HB HIS 46 2HB HIS 46 -2.764 -6.832 0.282
156 2HB HIS 46 1HB HIS 46 -3.780 -7.889 -0.709
157 HD2 HIS 46 HD2 HIS 46 -0.016 -7.556 -1.746
158 HE1 HIS 46 HE1 HIS 46 -0.476 -11.052 0.556
159 HE2 HIS 46 HE2 HIS 46 1.187 -9.689 -0.800
160 H LEU 47 H LEU 47 -4.001 -5.364 0.329
161 HA LEU 47 HA LEU 47 -5.940 -3.770 -1.275
162 1HB LEU 47 2HB LEU 47 -7.779 -4.417 0.133
163 2HB LEU 47 1HB LEU 47 -7.127 -5.760 -0.779
164 HG LEU 47 HG LEU 47 -7.910 -6.347 1.439
165 1HD1 LEU 47 3HD2 LEU 47 -6.091 -7.667 0.307
166 2HD1 LEU 47 2HD2 LEU 47 -4.930 -6.855 1.388
167 3HD1 LEU 47 1HD2 LEU 47 -6.223 -7.851 2.064
168 1HD2 LEU 47 3HD1 LEU 47 -7.265 -4.259 2.641
169 2HD2 LEU 47 1HD1 LEU 47 -6.815 -5.761 3.473
170 3HD2 LEU 47 2HD1 LEU 47 -5.575 -4.822 2.625
171 H CYS 48 H CYS 48 -7.260 -2.329 0.229
172 HA CYS 48 HA CYS 48 -5.417 -0.921 2.076
173 1HB CYS 48 2HB CYS 48 -7.292 0.678 0.430
174 2HB CYS 48 1HB CYS 48 -5.733 1.106 1.103
175 H HIS 49 H HIS 49 -6.741 0.731 3.315
176 HA HIS 49 HA HIS 49 -9.607 0.051 3.759
177 1HB HIS 49 1HB HIS 49 -7.528 0.685 5.880
178 2HB HIS 49 2HB HIS 49 -9.270 0.469 6.129
179 HD2 HIS 49 HD2 HIS 49 -5.960 -1.536 5.792
180 HE1 HIS 49 HE1 HIS 49 -9.051 -4.226 6.812
181 HE2 HIS 49 HE2 HIS 49 -6.494 -3.899 6.662
182 H ASN 50 H ASN 50 -10.672 1.975 3.388
183 HA ASN 50 HA ASN 50 -9.087 4.431 3.056
184 1HB ASN 50 2HB ASN 50 -11.942 3.679 2.491
185 2HB ASN 50 1HB ASN 50 -11.566 5.370 2.761
186 1HD2 ASN 50 2HD2 ASN 50 -9.431 5.709 -0.118
187 2HD2 ASN 50 1HD2 ASN 50 -9.406 5.974 1.621
188 H TYR 51 H TYR 51 -9.259 6.320 4.322
189 HA TYR 51 HA TYR 51 -10.972 6.436 6.618
190 1HB TYR 51 2HB TYR 51 -9.522 6.195 8.370
191 2HB TYR 51 1HB TYR 51 -9.020 4.868 7.342
192 HD1 TYR 51 HD2 TYR 51 -7.250 6.408 5.376
193 HD2 TYR 51 HD1 TYR 51 -7.609 6.636 9.658
194 HE1 TYR 51 HE2 TYR 51 -4.917 7.221 5.522
195 HE2 TYR 51 HE1 TYR 51 -5.304 7.502 9.800
196 HH TYR 51 HH TYR 51 -3.423 8.140 8.630
197 H VAL 52 H VAL 52 -10.043 8.510 8.019
198 HA VAL 52 HA VAL 52 -10.213 10.653 6.269
199 HB VAL 52 HB VAL 52 -10.774 10.633 8.700
200 1HG1 VAL 52 2HG2 VAL 52 -8.816 9.318 9.552
201 2HG1 VAL 52 3HG2 VAL 52 -7.766 10.711 9.227
202 3HG1 VAL 52 1HG2 VAL 52 -9.064 10.838 10.424
203 1HG2 VAL 52 1HG1 VAL 52 -10.392 12.734 7.499
204 2HG2 VAL 52 2HG1 VAL 52 -9.967 12.843 9.225
205 3HG2 VAL 52 3HG1 VAL 52 -8.679 12.707 7.999
206 H GLY 53 H GLY 53 -8.804 11.952 5.242
207 1HA GLY 53 2HA GLY 53 -6.717 12.766 4.604
208 2HA GLY 53 1HA GLY 53 -5.885 11.494 5.503
209 H GLY 54 H GLY 54 -7.664 9.316 4.327
210 1HA GLY 54 2HA GLY 54 -7.706 9.077 1.629
211 2HA GLY 54 1HA GLY 54 -5.981 8.921 1.913
212 H TYR 55 H TYR 55 -5.159 6.984 2.673
213 HA TYR 55 HA TYR 55 -6.972 4.975 3.777
214 1HB TYR 55 1HB TYR 55 -6.539 3.224 2.199
215 2HB TYR 55 2HB TYR 55 -7.336 4.577 1.436
216 HD1 TYR 55 HD1 TYR 55 -3.709 3.479 1.990
217 HD2 TYR 55 HD2 TYR 55 -6.797 4.599 -0.811
218 HE1 TYR 55 HE1 TYR 55 -2.110 3.293 0.153
219 HE2 TYR 55 HE2 TYR 55 -5.204 4.173 -2.673
220 HH TYR 55 HH TYR 55 -1.746 3.558 -2.164
221 H PHE 56 H PHE 56 -5.956 3.039 4.474
222 HA PHE 56 HA PHE 56 -3.021 3.120 4.872
223 1HB PHE 56 2HB PHE 56 -3.185 2.195 7.070
224 2HB PHE 56 1HB PHE 56 -4.041 3.723 7.035
225 HD1 PHE 56 HD1 PHE 56 -6.557 3.766 7.105
226 HD2 PHE 56 HD2 PHE 56 -4.316 0.110 7.604
227 HE1 PHE 56 HE1 PHE 56 -8.467 2.752 8.326
228 HE2 PHE 56 HE2 PHE 56 -6.230 -0.893 8.807
229 HZ PHE 56 HZ PHE 56 -8.298 0.430 9.194
230 H CYS 57 H CYS 57 -2.515 0.480 5.435
231 HA CYS 57 HA CYS 57 -4.295 -1.087 3.702
232 1HB CYS 57 1HB CYS 57 -1.351 -0.631 3.114
233 2HB CYS 57 2HB CYS 57 -2.359 -1.791 2.276
234 H SER 58 H SER 58 -3.477 -3.299 3.288
235 HA SER 58 HA SER 58 -2.310 -4.649 5.561
236 1HB SER 58 2HB SER 58 -5.321 -4.824 5.092
237 2HB SER 58 1HB SER 58 -4.417 -5.855 6.203
238 HG SER 58 HG SER 58 -3.833 -3.323 6.781
239 H CYS 59 H CYS 59 -3.126 -7.196 5.164
240 HA CYS 59 HA CYS 59 -2.603 -7.649 2.259
241 1HB CYS 59 1HB CYS 59 -1.750 -9.490 4.538
242 2HB CYS 59 2HB CYS 59 -1.095 -9.366 2.907
243 H ARG 60 H ARG 60 -3.055 -9.883 1.574
244 HA ARG 60 HA ARG 60 -5.623 -10.925 2.482
245 1HB ARG 60 2HB ARG 60 -3.389 -12.055 0.741
246 2HB ARG 60 1HB ARG 60 -4.945 -12.856 0.974
247 1HG ARG 60 1HG ARG 60 -6.157 -11.090 -0.112
248 2HG ARG 60 2HG ARG 60 -4.743 -10.027 -0.156
249 1HD ARG 60 2HD ARG 60 -4.913 -12.710 -1.564
250 2HD ARG 60 1HD ARG 60 -5.206 -11.144 -2.351
251 HE ARG 60 HE ARG 60 -2.779 -10.718 -1.236
252 1HH1 ARG 60 2HH2 ARG 60 -3.950 -13.373 -3.273
253 2HH1 ARG 60 1HH2 ARG 60 -2.388 -13.706 -3.968
254 1HH2 ARG 60 2HH1 ARG 60 -0.776 -11.079 -2.240
255 2HH2 ARG 60 1HH1 ARG 60 -0.519 -12.494 -3.226
256 HA PRO 61 HA PRO 61 -3.933 -13.323 5.843
257 1HB PRO 61 1HB PRO 61 -5.282 -15.789 4.836
258 2HB PRO 61 2HB PRO 61 -5.387 -15.057 6.456
259 1HG PRO 61 1HG PRO 61 -7.465 -14.780 4.702
260 2HG PRO 61 2HG PRO 61 -6.944 -13.416 5.733
261 1HD PRO 61 2HD PRO 61 -6.281 -13.898 2.823
262 2HD PRO 61 1HD PRO 61 -6.779 -12.390 3.648
263 H GLY 62 H GLY 62 -2.295 -14.898 6.282
264 1HA GLY 62 1HA GLY 62 -0.570 -16.388 5.801
265 2HA GLY 62 2HA GLY 62 -1.154 -16.527 4.138
266 H TYR 63 H TYR 63 -0.734 -13.272 5.148
267 HA TYR 63 HA TYR 63 2.031 -13.094 4.313
268 1HB TYR 63 2HB TYR 63 -0.158 -11.380 3.047
269 2HB TYR 63 1HB TYR 63 1.547 -11.176 2.799
270 HD1 TYR 63 HD2 TYR 63 -1.297 -13.498 2.238
271 HD2 TYR 63 HD1 TYR 63 2.595 -12.215 0.943
272 HE1 TYR 63 HE2 TYR 63 -1.674 -14.582 0.062
273 HE2 TYR 63 HE1 TYR 63 2.226 -13.291 -1.243
274 HH TYR 63 HH TYR 63 -0.815 -15.003 -2.020
275 H GLU 64 H GLU 64 2.944 -10.921 4.926
276 HA GLU 64 HA GLU 64 1.389 -9.594 7.075
277 1HB GLU 64 1HB GLU 64 2.907 -11.267 8.160
278 2HB GLU 64 2HB GLU 64 4.274 -10.542 7.311
279 1HG GLU 64 1HG GLU 64 4.136 -9.816 9.659
280 2HG GLU 64 2HG GLU 64 4.036 -8.457 8.547
281 H LEU 65 H LEU 65 1.759 -7.421 7.192
282 HA LEU 65 HA LEU 65 3.050 -6.216 4.859
283 1HB LEU 65 2HB LEU 65 0.889 -5.318 5.727
284 2HB LEU 65 1HB LEU 65 1.712 -4.889 7.233
285 HG LEU 65 HG LEU 65 3.335 -3.486 5.802
286 1HD1 LEU 65 2HD1 LEU 65 2.821 -4.478 3.569
287 2HD1 LEU 65 1HD1 LEU 65 1.166 -3.844 3.690
288 3HD1 LEU 65 3HD1 LEU 65 2.544 -2.733 3.630
289 1HD2 LEU 65 2HD2 LEU 65 0.385 -2.792 5.817
290 2HD2 LEU 65 3HD2 LEU 65 1.575 -2.458 7.110
291 3HD2 LEU 65 1HD2 LEU 65 1.699 -1.648 5.537
292 H GLN 66 H GLN 66 5.162 -6.248 4.939
293 HA GLN 66 HA GLN 66 6.674 -6.084 7.482
294 1HB GLN 66 1HB GLN 66 7.154 -7.341 4.983
295 2HB GLN 66 2HB GLN 66 8.223 -5.949 4.995
296 1HG GLN 66 1HG GLN 66 9.515 -7.630 5.923
297 2HG GLN 66 2HG GLN 66 9.000 -6.697 7.323
298 1HE2 GLN 66 1HE2 GLN 66 6.717 -10.070 7.235
299 2HE2 GLN 66 2HE2 GLN 66 6.237 -8.607 6.384
300 H GLU 67 H GLU 67 8.025 -4.275 7.932
301 HA GLU 67 HA GLU 67 8.727 -2.108 7.958
302 1HB GLU 67 2HB GLU 67 9.429 -2.594 5.630
303 2HB GLU 67 1HB GLU 67 7.959 -1.801 5.057
304 1HG GLU 67 1HG GLU 67 8.628 0.284 6.250
305 2HG GLU 67 2HG GLU 67 10.068 -0.532 6.874
306 H ASP 68 H ASP 68 5.807 -2.260 6.182
307 HA ASP 68 HA ASP 68 3.641 -1.542 7.086
308 1HB ASP 68 1HB ASP 68 4.443 -0.114 8.941
309 2HB ASP 68 2HB ASP 68 5.168 1.009 7.767
310 H ARG 69 H ARG 69 6.408 -0.412 5.328
311 HA ARG 69 HA ARG 69 4.921 1.167 3.554
312 1HB ARG 69 2HB ARG 69 7.217 1.735 4.137
313 2HB ARG 69 1HB ARG 69 7.796 0.228 3.402
314 1HG ARG 69 1HG ARG 69 8.179 2.237 2.001
315 2HG ARG 69 2HG ARG 69 7.260 0.959 1.214
316 1HD ARG 69 1HD ARG 69 5.153 2.182 1.535
317 2HD ARG 69 2HD ARG 69 5.965 3.429 2.482
318 HE ARG 69 HE ARG 69 5.873 3.062 -0.412
319 1HH1 ARG 69 1HH2 ARG 69 7.743 4.528 2.198
320 2HH1 ARG 69 2HH2 ARG 69 8.452 5.764 1.195
321 1HH2 ARG 69 1HH1 ARG 69 6.819 4.638 -1.749
322 2HH2 ARG 69 2HH1 ARG 69 7.923 5.817 -1.096
323 H HIS 70 H HIS 70 3.379 -0.442 2.981
324 HA HIS 70 HA HIS 70 2.316 -1.752 1.432
325 1HB HIS 70 1HB HIS 70 4.277 -0.281 -0.352
326 2HB HIS 70 2HB HIS 70 2.785 -1.064 -0.878
327 HD2 HIS 70 HD2 HIS 70 2.222 1.489 -1.844
328 HE1 HIS 70 HE1 HIS 70 0.889 2.896 1.913
329 HE2 HIS 70 HE2 HIS 70 0.774 3.289 -0.638
330 H SER 71 H SER 71 4.398 -3.302 2.647
331 HA SER 71 HA SER 71 5.337 -5.032 0.368
332 1HB SER 71 2HB SER 71 6.653 -4.178 2.965
333 2HB SER 71 1HB SER 71 7.275 -5.465 1.912
334 HG SER 71 HG SER 71 6.865 -2.729 1.231
335 H CYS 72 H CYS 72 3.180 -6.120 0.692
336 HA CYS 72 HA CYS 72 2.969 -7.735 3.169
337 1HB CYS 72 2HB CYS 72 1.182 -7.555 0.773
338 2HB CYS 72 1HB CYS 72 1.007 -8.736 2.047
339 H GLN 73 H GLN 73 4.869 -8.891 3.024
340 HA GLN 73 HA GLN 73 5.276 -10.786 0.758
341 1HB GLN 73 1HB GLN 73 7.267 -11.494 2.307
342 2HB GLN 73 2HB GLN 73 7.366 -10.032 1.337
343 1HG GLN 73 1HG GLN 73 6.876 -8.635 3.235
344 2HG GLN 73 2HG GLN 73 6.498 -10.037 4.264
345 1HE2 GLN 73 2HE2 GLN 73 9.920 -10.792 4.956
346 2HE2 GLN 73 1HE2 GLN 73 8.269 -11.415 4.952
347 H ALA 74 H ALA 74 5.756 -13.054 1.453
348 HA ALA 74 HA ALA 74 3.413 -14.104 2.859
349 1HB ALA 74 1HB ALA 74 4.197 -15.162 0.844
350 2HB ALA 74 2HB ALA 74 5.774 -15.511 1.607
351 3HB ALA 74 3HB ALA 74 4.284 -16.270 2.233
352 H GLU 75 H GLU 75 4.057 -12.898 4.683
353 HA GLU 75 HA GLU 75 4.319 -12.914 6.946
354 1HB GLU 75 2HB GLU 75 6.283 -15.223 6.717
355 2HB GLU 75 1HB GLU 75 5.641 -14.496 8.187
356 1HG GLU 75 2HG GLU 75 3.992 -16.010 6.101
357 2HG GLU 75 1HG GLU 75 4.468 -16.597 7.693
No H/Q in entry = 357
Start of MODEL 6
1 1H ALA 23 1H ALA 23 -3.774 11.881 4.495
2 2H ALA 23 2H ALA 23 -3.961 11.666 2.895
3 3H ALA 23 3H ALA 23 -2.623 12.463 3.453
4 HA ALA 23 HA ALA 23 -3.886 14.301 4.184
5 1HB ALA 23 1HB ALA 23 -3.361 14.203 1.731
6 2HB ALA 23 2HB ALA 23 -4.956 13.477 1.446
7 3HB ALA 23 3HB ALA 23 -4.819 15.133 2.087
8 H VAL 24 H VAL 24 -6.649 14.703 2.866
9 HA VAL 24 HA VAL 24 -8.214 13.868 5.114
10 HB VAL 24 HB VAL 24 -8.624 15.877 3.727
11 1HG1 VAL 24 3HG2 VAL 24 -8.202 14.955 1.466
12 2HG1 VAL 24 1HG2 VAL 24 -9.665 13.955 1.602
13 3HG1 VAL 24 2HG2 VAL 24 -9.791 15.721 1.578
14 1HG2 VAL 24 1HG1 VAL 24 -10.431 14.868 5.147
15 2HG2 VAL 24 3HG1 VAL 24 -10.997 15.849 3.786
16 3HG2 VAL 24 2HG1 VAL 24 -11.079 14.089 3.681
17 H ASP 25 H ASP 25 -10.265 12.458 4.763
18 HA ASP 25 HA ASP 25 -9.355 9.859 3.881
19 1HB ASP 25 1HB ASP 25 -10.774 10.263 5.891
20 2HB ASP 25 2HB ASP 25 -12.111 10.733 4.835
21 H LEU 26 H LEU 26 -8.984 10.747 1.619
22 HA LEU 26 HA LEU 26 -11.436 10.367 -0.066
23 1HB LEU 26 1HB LEU 26 -10.541 11.537 -1.793
24 2HB LEU 26 2HB LEU 26 -10.179 12.530 -0.391
25 HG LEU 26 HG LEU 26 -8.176 10.705 -1.834
26 1HD1 LEU 26 1HD2 LEU 26 -8.982 12.544 -3.265
27 2HD1 LEU 26 2HD2 LEU 26 -8.575 13.717 -1.994
28 3HD1 LEU 26 3HD2 LEU 26 -7.292 12.781 -2.792
29 1HD2 LEU 26 3HD1 LEU 26 -7.813 12.831 0.326
30 2HD2 LEU 26 1HD1 LEU 26 -7.437 11.097 0.445
31 3HD2 LEU 26 2HD1 LEU 26 -6.489 12.136 -0.623
32 H ASP 27 H ASP 27 -10.657 9.287 -2.336
33 HA ASP 27 HA ASP 27 -9.861 6.624 -1.566
34 1HB ASP 27 2HB ASP 27 -10.574 6.087 -3.802
35 2HB ASP 27 1HB ASP 27 -11.751 7.112 -3.014
36 H GLU 28 H GLU 28 -7.756 7.643 -0.808
37 HA GLU 28 HA GLU 28 -5.768 8.592 -2.580
38 1HB GLU 28 2HB GLU 28 -5.521 7.076 0.057
39 2HB GLU 28 1HB GLU 28 -4.145 7.651 -0.888
40 1HG GLU 28 1HG GLU 28 -5.602 9.948 -0.839
41 2HG GLU 28 2HG GLU 28 -6.188 9.208 0.659
42 H CYS 29 H CYS 29 -6.168 5.168 -1.421
43 HA CYS 29 HA CYS 29 -4.045 4.239 -3.079
44 1HB CYS 29 2HB CYS 29 -4.768 2.739 -1.429
45 2HB CYS 29 1HB CYS 29 -6.457 2.821 -1.950
46 H ALA 30 H ALA 30 -7.509 4.528 -3.782
47 HA ALA 30 HA ALA 30 -7.590 3.313 -6.318
48 1HB ALA 30 3HB ALA 30 -9.578 4.065 -4.961
49 2HB ALA 30 2HB ALA 30 -9.134 5.734 -5.340
50 3HB ALA 30 1HB ALA 30 -9.640 4.662 -6.639
51 H SER 31 H SER 31 -7.308 6.835 -5.585
52 HA SER 31 HA SER 31 -6.794 7.629 -8.267
53 1HB SER 31 1HB SER 31 -5.903 9.724 -7.193
54 2HB SER 31 2HB SER 31 -7.537 9.257 -6.688
55 HG SER 31 HG SER 31 -6.677 8.427 -4.772
56 H ARG 32 H ARG 32 -4.527 6.923 -5.587
57 HA ARG 32 HA ARG 32 -2.170 7.249 -7.265
58 1HB ARG 32 1HB ARG 32 -2.481 6.187 -4.437
59 2HB ARG 32 2HB ARG 32 -0.957 6.593 -5.232
60 1HG ARG 32 2HG ARG 32 -1.559 8.938 -5.416
61 2HG ARG 32 1HG ARG 32 -3.209 8.632 -4.868
62 1HD ARG 32 1HD ARG 32 -1.961 9.626 -3.089
63 2HD ARG 32 2HD ARG 32 -2.433 7.975 -2.660
64 HE ARG 32 HE ARG 32 0.157 7.888 -3.821
65 1HH1 ARG 32 2HH2 ARG 32 -1.385 9.232 -0.893
66 2HH1 ARG 32 1HH2 ARG 32 0.115 9.363 -0.031
67 1HH2 ARG 32 2HH1 ARG 32 2.079 7.932 -2.610
68 2HH2 ARG 32 1HH1 ARG 32 2.104 8.564 -0.989
69 H SER 33 H SER 33 -3.653 5.560 -8.621
70 HA SER 33 HA SER 33 -1.947 3.368 -9.112
71 1HB SER 33 2HB SER 33 -3.520 1.498 -8.751
72 2HB SER 33 1HB SER 33 -2.948 2.219 -7.235
73 HG SER 33 HG SER 33 -4.938 3.306 -7.087
74 H LYS 34 H LYS 34 -5.459 4.029 -9.277
75 HA LYS 34 HA LYS 34 -5.791 3.402 -12.033
76 1HB LYS 34 2HB LYS 34 -7.551 3.421 -10.268
77 2HB LYS 34 1HB LYS 34 -7.506 5.192 -10.271
78 1HG LYS 34 2HG LYS 34 -8.164 5.194 -12.667
79 2HG LYS 34 1HG LYS 34 -8.201 3.415 -12.657
80 1HD LYS 34 2HD LYS 34 -9.938 3.473 -10.870
81 2HD LYS 34 1HD LYS 34 -9.923 5.243 -10.908
82 1HE LYS 34 1HE LYS 34 -10.673 3.419 -13.249
83 2HE LYS 34 2HE LYS 34 -11.816 4.272 -12.199
84 1HZ LYS 34 1HZ LYS 34 -10.865 6.338 -12.939
85 2HZ LYS 34 2HZ LYS 34 -9.832 5.543 -13.948
86 3HZ LYS 34 3HZ LYS 34 -11.456 5.465 -14.206
87 H SER 35 H SER 35 -3.887 4.513 -12.814
88 HA SER 35 HA SER 35 -4.456 7.170 -13.978
89 1HB SER 35 1HB SER 35 -2.211 7.961 -13.104
90 2HB SER 35 2HB SER 35 -3.445 7.756 -11.848
91 HG SER 35 HG SER 35 -2.521 5.623 -11.471
92 H GLY 36 H GLY 36 -1.677 5.192 -13.369
93 1HA GLY 36 1HA GLY 36 -0.614 5.134 -16.025
94 2HA GLY 36 2HA GLY 36 -0.148 4.066 -14.690
95 H GLU 37 H GLU 37 -2.718 4.585 -17.075
96 HA GLU 37 HA GLU 37 -4.162 2.335 -17.136
97 1HB GLU 37 1HB GLU 37 -4.558 2.642 -19.473
98 2HB GLU 37 2HB GLU 37 -4.401 4.221 -18.704
99 1HG GLU 37 1HG GLU 37 -2.333 2.830 -20.475
100 2HG GLU 37 2HG GLU 37 -3.325 4.224 -20.881
101 H GLU 38 H GLU 38 -0.852 2.476 -18.448
102 HA GLU 38 HA GLU 38 -0.801 -0.315 -19.259
103 1HB GLU 38 1HB GLU 38 0.575 1.509 -20.261
104 2HB GLU 38 2HB GLU 38 1.503 1.616 -18.754
105 1HG GLU 38 2HG GLU 38 2.218 -0.752 -19.043
106 2HG GLU 38 1HG GLU 38 1.239 -0.872 -20.515
107 H ASP 39 H ASP 39 -1.794 -0.971 -17.227
108 HA ASP 39 HA ASP 39 -1.692 -2.383 -15.458
109 1HB ASP 39 1HB ASP 39 0.416 -3.302 -16.231
110 2HB ASP 39 2HB ASP 39 1.316 -2.023 -15.398
111 HA PRO 40 HA PRO 40 -1.629 1.402 -12.786
112 1HB PRO 40 1HB PRO 40 -4.247 1.465 -12.067
113 2HB PRO 40 2HB PRO 40 -3.689 2.017 -13.673
114 1HG PRO 40 1HG PRO 40 -4.838 -0.694 -12.951
115 2HG PRO 40 2HG PRO 40 -5.348 0.388 -14.282
116 1HD PRO 40 2HD PRO 40 -3.605 -1.668 -14.662
117 2HD PRO 40 1HD PRO 40 -3.420 -0.123 -15.544
118 H GLN 41 H GLN 41 -0.241 -0.390 -11.780
119 HA GLN 41 HA GLN 41 -1.148 -2.353 -10.079
120 1HB GLN 41 1HB GLN 41 1.292 -0.566 -9.696
121 2HB GLN 41 2HB GLN 41 1.003 -2.083 -8.831
122 1HG GLN 41 1HG GLN 41 0.923 -3.287 -11.043
123 2HG GLN 41 2HG GLN 41 1.349 -1.767 -11.846
124 1HE2 GLN 41 2HE2 GLN 41 4.214 -3.700 -9.595
125 2HE2 GLN 41 1HE2 GLN 41 2.518 -4.003 -9.258
126 HA PRO 42 HA PRO 42 -3.252 -0.152 -6.836
127 1HB PRO 42 2HB PRO 42 -3.258 -1.979 -4.797
128 2HB PRO 42 1HB PRO 42 -4.232 -2.168 -6.281
129 1HG PRO 42 2HG PRO 42 -1.505 -3.369 -5.714
130 2HG PRO 42 1HG PRO 42 -2.970 -4.218 -6.283
131 1HD PRO 42 2HD PRO 42 -1.050 -3.388 -8.006
132 2HD PRO 42 1HD PRO 42 -2.776 -3.231 -8.455
133 H GLN 43 H GLN 43 -2.768 1.074 -4.965
134 HA GLN 43 HA GLN 43 -0.136 1.946 -4.612
135 1HB GLN 43 1HB GLN 43 -2.305 3.095 -4.018
136 2HB GLN 43 2HB GLN 43 -2.392 2.046 -2.588
137 1HG GLN 43 2HG GLN 43 -0.113 3.012 -1.911
138 2HG GLN 43 1HG GLN 43 -0.303 4.160 -3.245
139 1HE2 GLN 43 2HE2 GLN 43 -2.041 6.279 -0.982
140 2HE2 GLN 43 1HE2 GLN 43 -0.855 6.153 -2.262
141 H CYS 44 H CYS 44 -1.897 -0.634 -2.977
142 HA CYS 44 HA CYS 44 0.493 -1.347 -1.337
143 1HB CYS 44 1HB CYS 44 -2.462 -1.624 -0.684
144 2HB CYS 44 2HB CYS 44 -1.163 -2.413 0.209
145 H GLN 45 H GLN 45 1.156 -3.450 -1.597
146 HA GLN 45 HA GLN 45 1.041 -4.668 -3.933
147 1HB GLN 45 1HB GLN 45 2.398 -5.111 -1.767
148 2HB GLN 45 2HB GLN 45 1.145 -6.294 -1.373
149 1HG GLN 45 1HG GLN 45 1.643 -7.310 -3.713
150 2HG GLN 45 2HG GLN 45 2.992 -6.157 -3.755
151 1HE2 GLN 45 2HE2 GLN 45 4.772 -7.831 -1.009
152 2HE2 GLN 45 1HE2 GLN 45 4.517 -6.280 -1.788
153 H HIS 46 H HIS 46 -1.137 -5.720 -1.262
154 HA HIS 46 HA HIS 46 -2.531 -7.579 -3.141
155 1HB HIS 46 2HB HIS 46 -2.519 -7.311 -0.162
156 2HB HIS 46 1HB HIS 46 -3.513 -8.482 -1.051
157 HD2 HIS 46 HD2 HIS 46 -0.207 -8.496 -2.800
158 HE1 HIS 46 HE1 HIS 46 0.272 -11.222 0.378
159 HE2 HIS 46 HE2 HIS 46 1.383 -10.233 -1.711
160 H LEU 47 H LEU 47 -3.801 -5.671 -0.360
161 HA LEU 47 HA LEU 47 -5.787 -4.473 -2.192
162 1HB LEU 47 1HB LEU 47 -7.660 -5.378 -0.812
163 2HB LEU 47 2HB LEU 47 -6.798 -6.526 -1.822
164 HG LEU 47 HG LEU 47 -5.417 -6.859 0.566
165 1HD1 LEU 47 1HD1 LEU 47 -6.974 -5.359 1.757
166 2HD1 LEU 47 2HD1 LEU 47 -8.334 -6.390 1.254
167 3HD1 LEU 47 3HD1 LEU 47 -7.070 -7.046 2.322
168 1HD2 LEU 47 3HD2 LEU 47 -7.928 -8.312 -0.343
169 2HD2 LEU 47 2HD2 LEU 47 -6.269 -8.644 -0.893
170 3HD2 LEU 47 1HD2 LEU 47 -6.710 -8.920 0.801
171 H CYS 48 H CYS 48 -6.366 -2.508 -1.642
172 HA CYS 48 HA CYS 48 -5.169 -1.386 0.783
173 1HB CYS 48 1HB CYS 48 -6.718 0.116 -1.286
174 2HB CYS 48 2HB CYS 48 -5.563 0.759 -0.154
175 H HIS 49 H HIS 49 -6.461 0.472 1.751
176 HA HIS 49 HA HIS 49 -9.324 0.510 1.551
177 1HB HIS 49 2HB HIS 49 -8.015 0.017 4.205
178 2HB HIS 49 1HB HIS 49 -9.713 0.373 3.946
179 HD2 HIS 49 HD2 HIS 49 -7.305 -2.687 3.836
180 HE1 HIS 49 HE1 HIS 49 -11.217 -4.034 2.942
181 HE2 HIS 49 HE2 HIS 49 -8.831 -4.788 3.418
182 H ASN 50 H ASN 50 -9.980 2.487 2.625
183 HA ASN 50 HA ASN 50 -7.817 4.547 2.731
184 1HB ASN 50 2HB ASN 50 -10.533 4.912 1.494
185 2HB ASN 50 1HB ASN 50 -9.316 6.163 1.736
186 1HD2 ASN 50 2HD2 ASN 50 -9.074 3.734 -1.500
187 2HD2 ASN 50 1HD2 ASN 50 -10.419 3.733 -0.374
188 H TYR 51 H TYR 51 -8.259 6.290 4.312
189 HA TYR 51 HA TYR 51 -10.552 6.232 5.988
190 1HB TYR 51 1HB TYR 51 -9.789 5.380 8.014
191 2HB TYR 51 2HB TYR 51 -9.435 4.145 6.841
192 HD1 TYR 51 HD2 TYR 51 -6.746 6.006 6.015
193 HD2 TYR 51 HD1 TYR 51 -8.327 4.047 9.514
194 HE1 TYR 51 HE2 TYR 51 -4.550 6.150 7.077
195 HE2 TYR 51 HE1 TYR 51 -6.067 4.066 10.524
196 HH TYR 51 HH TYR 51 -3.313 5.719 8.974
197 H VAL 52 H VAL 52 -9.752 7.475 8.238
198 HA VAL 52 HA VAL 52 -8.982 10.071 7.328
199 HB VAL 52 HB VAL 52 -8.888 10.661 9.719
200 1HG1 VAL 52 3HG1 VAL 52 -10.938 10.637 8.370
201 2HG1 VAL 52 2HG1 VAL 52 -11.256 8.956 8.849
202 3HG1 VAL 52 1HG1 VAL 52 -11.270 10.249 10.076
203 1HG2 VAL 52 3HG2 VAL 52 -9.490 7.706 10.254
204 2HG2 VAL 52 1HG2 VAL 52 -7.996 8.559 10.692
205 3HG2 VAL 52 2HG2 VAL 52 -9.531 9.023 11.437
206 H GLY 53 H GLY 53 -7.086 11.150 7.305
207 1HA GLY 53 1HA GLY 53 -4.769 11.431 7.639
208 2HA GLY 53 2HA GLY 53 -4.601 9.754 8.185
209 H GLY 54 H GLY 54 -6.530 8.940 5.822
210 1HA GLY 54 2HA GLY 54 -6.003 9.415 3.360
211 2HA GLY 54 1HA GLY 54 -4.369 8.877 3.730
212 H TYR 55 H TYR 55 -4.069 6.717 4.449
213 HA TYR 55 HA TYR 55 -6.215 4.784 3.967
214 1HB TYR 55 1HB TYR 55 -4.947 3.593 2.184
215 2HB TYR 55 2HB TYR 55 -5.381 5.209 1.684
216 HD1 TYR 55 HD1 TYR 55 -3.563 6.984 1.602
217 HD2 TYR 55 HD2 TYR 55 -2.655 2.891 2.603
218 HE1 TYR 55 HE1 TYR 55 -1.170 7.410 1.174
219 HE2 TYR 55 HE2 TYR 55 -0.267 3.296 2.104
220 HH TYR 55 HH TYR 55 0.891 6.472 0.910
221 H PHE 56 H PHE 56 -5.732 2.676 4.304
222 HA PHE 56 HA PHE 56 -3.450 2.225 6.223
223 1HB PHE 56 1HB PHE 56 -4.698 0.577 7.413
224 2HB PHE 56 2HB PHE 56 -5.378 2.181 7.499
225 HD1 PHE 56 HD1 PHE 56 -7.436 2.803 6.109
226 HD2 PHE 56 HD2 PHE 56 -6.173 -1.232 6.981
227 HE1 PHE 56 HE1 PHE 56 -9.804 2.058 6.145
228 HE2 PHE 56 HE2 PHE 56 -8.533 -1.960 7.000
229 HZ PHE 56 HZ PHE 56 -10.359 -0.300 6.690
230 H CYS 57 H CYS 57 -5.579 -0.072 4.756
231 HA CYS 57 HA CYS 57 -5.302 -1.416 2.897
232 1HB CYS 57 1HB CYS 57 -2.273 -1.233 3.200
233 2HB CYS 57 2HB CYS 57 -3.157 -2.106 1.984
234 H SER 58 H SER 58 -4.461 -3.740 2.691
235 HA SER 58 HA SER 58 -3.603 -4.955 5.177
236 1HB SER 58 2HB SER 58 -6.062 -4.777 5.546
237 2HB SER 58 1HB SER 58 -6.341 -5.689 4.056
238 HG SER 58 HG SER 58 -5.104 -6.519 6.476
239 H CYS 59 H CYS 59 -4.333 -7.541 4.384
240 HA CYS 59 HA CYS 59 -2.975 -7.907 1.773
241 1HB CYS 59 1HB CYS 59 -1.812 -8.982 4.378
242 2HB CYS 59 2HB CYS 59 -1.173 -9.268 2.764
243 H ARG 60 H ARG 60 -2.660 -10.216 1.226
244 HA ARG 60 HA ARG 60 -5.048 -11.744 1.628
245 1HB ARG 60 2HB ARG 60 -3.502 -11.907 -0.355
246 2HB ARG 60 1HB ARG 60 -2.255 -12.566 0.708
247 1HG ARG 60 1HG ARG 60 -3.185 -14.402 -0.448
248 2HG ARG 60 2HG ARG 60 -3.796 -14.519 1.201
249 1HD ARG 60 2HD ARG 60 -5.941 -13.384 0.360
250 2HD ARG 60 1HD ARG 60 -5.252 -13.466 -1.273
251 HE ARG 60 HE ARG 60 -5.131 -16.053 -0.149
252 1HH1 ARG 60 2HH2 ARG 60 -7.562 -13.725 -1.212
253 2HH1 ARG 60 1HH2 ARG 60 -8.760 -14.929 -1.601
254 1HH2 ARG 60 1HH1 ARG 60 -6.678 -17.646 -0.657
255 2HH2 ARG 60 2HH1 ARG 60 -8.242 -17.204 -1.283
256 HA PRO 61 HA PRO 61 -3.980 -13.216 5.716
257 1HB PRO 61 1HB PRO 61 -5.010 -15.896 4.907
258 2HB PRO 61 2HB PRO 61 -5.397 -14.966 6.375
259 1HG PRO 61 1HG PRO 61 -7.197 -15.010 4.321
260 2HG PRO 61 2HG PRO 61 -6.858 -13.497 5.211
261 1HD PRO 61 1HD PRO 61 -5.810 -14.346 2.519
262 2HD PRO 61 2HD PRO 61 -6.393 -12.741 3.064
263 H GLY 62 H GLY 62 -2.403 -14.496 6.722
264 1HA GLY 62 1HA GLY 62 -0.495 -15.895 6.800
265 2HA GLY 62 2HA GLY 62 -0.556 -16.128 5.048
266 H TYR 63 H TYR 63 -0.910 -13.119 4.553
267 HA TYR 63 HA TYR 63 1.875 -12.312 4.996
268 1HB TYR 63 2HB TYR 63 -0.139 -11.327 2.939
269 2HB TYR 63 1HB TYR 63 1.520 -10.803 3.099
270 HD1 TYR 63 HD2 TYR 63 -0.565 -13.856 2.384
271 HD2 TYR 63 HD1 TYR 63 3.139 -11.768 1.715
272 HE1 TYR 63 HE2 TYR 63 0.069 -15.527 0.692
273 HE2 TYR 63 HE1 TYR 63 3.788 -13.454 0.031
274 HH TYR 63 HH TYR 63 1.689 -16.226 -0.800
275 H GLU 64 H GLU 64 2.235 -10.027 5.405
276 HA GLU 64 HA GLU 64 -0.033 -8.458 6.397
277 1HB GLU 64 1HB GLU 64 2.070 -9.714 8.115
278 2HB GLU 64 2HB GLU 64 1.940 -7.979 8.347
279 1HG GLU 64 2HG GLU 64 -0.396 -9.917 8.509
280 2HG GLU 64 1HG GLU 64 0.502 -9.257 9.887
281 H LEU 65 H LEU 65 0.573 -6.231 6.778
282 HA LEU 65 HA LEU 65 2.262 -5.236 4.606
283 1HB LEU 65 1HB LEU 65 0.978 -3.864 6.997
284 2HB LEU 65 2HB LEU 65 1.947 -3.025 5.785
285 HG LEU 65 HG LEU 65 -0.715 -4.397 5.265
286 1HD1 LEU 65 2HD2 LEU 65 -0.652 -2.286 6.637
287 2HD1 LEU 65 1HD2 LEU 65 0.207 -1.484 5.305
288 3HD1 LEU 65 3HD2 LEU 65 -1.459 -2.067 5.073
289 1HD2 LEU 65 3HD1 LEU 65 1.031 -2.695 3.402
290 2HD2 LEU 65 1HD1 LEU 65 0.737 -4.430 3.202
291 3HD2 LEU 65 2HD1 LEU 65 -0.603 -3.288 3.050
292 H GLN 66 H GLN 66 4.306 -4.590 4.765
293 HA GLN 66 HA GLN 66 5.733 -4.961 7.394
294 1HB GLN 66 2HB GLN 66 6.884 -4.602 4.604
295 2HB GLN 66 1HB GLN 66 7.769 -5.028 6.082
296 1HG GLN 66 2HG GLN 66 5.665 -6.716 4.652
297 2HG GLN 66 1HG GLN 66 7.404 -7.022 4.775
298 1HE2 GLN 66 1HE2 GLN 66 5.050 -8.719 7.511
299 2HE2 GLN 66 2HE2 GLN 66 4.413 -7.963 6.074
300 H GLU 67 H GLU 67 7.685 -3.235 7.428
301 HA GLU 67 HA GLU 67 6.484 -0.815 8.146
302 1HB GLU 67 1HB GLU 67 9.412 -1.197 7.367
303 2HB GLU 67 2HB GLU 67 8.740 0.053 8.421
304 1HG GLU 67 1HG GLU 67 8.912 -2.938 9.025
305 2HG GLU 67 2HG GLU 67 9.797 -1.626 9.795
306 H ASP 68 H ASP 68 7.108 -1.789 4.984
307 HA ASP 68 HA ASP 68 7.668 0.739 3.698
308 1HB ASP 68 2HB ASP 68 6.260 -1.748 2.628
309 2HB ASP 68 1HB ASP 68 6.965 -0.445 1.663
310 H ARG 69 H ARG 69 4.834 -0.996 4.906
311 HA ARG 69 HA ARG 69 2.709 -0.550 5.101
312 1HB ARG 69 2HB ARG 69 3.902 1.733 5.733
313 2HB ARG 69 1HB ARG 69 3.016 2.356 4.329
314 1HG ARG 69 1HG ARG 69 0.896 1.489 5.324
315 2HG ARG 69 2HG ARG 69 1.842 0.802 6.665
316 1HD ARG 69 1HD ARG 69 2.511 3.006 7.429
317 2HD ARG 69 2HD ARG 69 1.861 3.791 5.993
318 HE ARG 69 HE ARG 69 0.428 2.996 8.388
319 1HH1 ARG 69 1HH2 ARG 69 0.008 3.491 4.892
320 2HH1 ARG 69 2HH2 ARG 69 -1.644 4.057 5.069
321 1HH2 ARG 69 1HH1 ARG 69 -1.790 3.708 8.542
322 2HH2 ARG 69 2HH1 ARG 69 -2.625 4.151 7.060
323 H HIS 70 H HIS 70 3.775 -1.341 2.600
324 HA HIS 70 HA HIS 70 1.423 -0.977 0.906
325 1HB HIS 70 2HB HIS 70 4.241 -0.438 -0.167
326 2HB HIS 70 1HB HIS 70 2.760 -0.465 -1.121
327 HD2 HIS 70 HD2 HIS 70 0.878 1.697 -0.153
328 HE1 HIS 70 HE1 HIS 70 4.169 4.115 0.957
329 HE2 HIS 70 HE2 HIS 70 1.644 4.097 0.600
330 H SER 71 H SER 71 4.727 -2.278 1.237
331 HA SER 71 HA SER 71 4.368 -4.594 -0.311
332 1HB SER 71 1HB SER 71 6.367 -4.245 1.947
333 2HB SER 71 2HB SER 71 6.538 -5.172 0.444
334 HG SER 71 HG SER 71 7.574 -3.156 0.233
335 H CYS 72 H CYS 72 3.097 -6.305 0.146
336 HA CYS 72 HA CYS 72 2.400 -7.043 2.932
337 1HB CYS 72 2HB CYS 72 1.354 -7.937 0.218
338 2HB CYS 72 1HB CYS 72 0.952 -8.719 1.732
339 H GLN 73 H GLN 73 3.915 -8.496 3.818
340 HA GLN 73 HA GLN 73 5.087 -10.562 1.974
341 1HB GLN 73 1HB GLN 73 6.614 -9.410 4.281
342 2HB GLN 73 2HB GLN 73 7.188 -10.480 3.022
343 1HG GLN 73 1HG GLN 73 6.418 -7.549 2.647
344 2HG GLN 73 2HG GLN 73 8.042 -8.237 2.596
345 1HE2 GLN 73 2HE2 GLN 73 7.284 -9.893 -0.644
346 2HE2 GLN 73 1HE2 GLN 73 7.903 -10.383 0.923
347 H ALA 74 H ALA 74 5.862 -12.427 3.182
348 HA ALA 74 HA ALA 74 3.743 -13.375 5.033
349 1HB ALA 74 1HB ALA 74 6.029 -14.818 3.688
350 2HB ALA 74 2HB ALA 74 4.732 -15.548 4.675
351 3HB ALA 74 3HB ALA 74 4.331 -14.752 3.131
352 H GLU 75 H GLU 75 4.642 -11.652 6.404
353 HA GLU 75 HA GLU 75 6.517 -12.741 8.431
354 1HB GLU 75 2HB GLU 75 6.900 -10.066 7.029
355 2HB GLU 75 1HB GLU 75 7.777 -10.583 8.470
356 1HG GLU 75 1HG GLU 75 8.815 -12.424 7.164
357 2HG GLU 75 2HG GLU 75 7.915 -11.923 5.722
No H/Q in entry = 357
Start of MODEL 7
1 1H ALA 23 3H ALA 23 -12.393 5.458 5.735
2 2H ALA 23 1H ALA 23 -12.023 3.933 6.203
3 3H ALA 23 2H ALA 23 -13.413 4.263 5.315
4 HA ALA 23 HA ALA 23 -14.164 3.974 7.511
5 1HB ALA 23 2HB ALA 23 -11.955 4.478 8.586
6 2HB ALA 23 3HB ALA 23 -12.211 6.203 8.246
7 3HB ALA 23 1HB ALA 23 -13.308 5.330 9.340
8 H VAL 24 H VAL 24 -14.404 6.979 8.627
9 HA VAL 24 HA VAL 24 -16.558 7.737 6.792
10 HB VAL 24 HB VAL 24 -15.460 9.206 9.225
11 1HG1 VAL 24 1HG2 VAL 24 -18.150 9.356 7.776
12 2HG1 VAL 24 2HG2 VAL 24 -17.708 10.247 9.245
13 3HG1 VAL 24 3HG2 VAL 24 -16.889 10.603 7.722
14 1HG2 VAL 24 2HG1 VAL 24 -17.715 7.160 9.017
15 2HG2 VAL 24 1HG1 VAL 24 -16.207 6.973 9.939
16 3HG2 VAL 24 3HG1 VAL 24 -17.392 8.185 10.430
17 H ASP 25 H ASP 25 -14.848 7.675 5.027
18 HA ASP 25 HA ASP 25 -14.108 10.316 4.219
19 1HB ASP 25 1HB ASP 25 -11.711 10.024 4.074
20 2HB ASP 25 2HB ASP 25 -12.165 9.800 5.763
21 H LEU 26 H LEU 26 -13.199 10.143 1.942
22 HA LEU 26 HA LEU 26 -14.672 8.198 0.452
23 1HB LEU 26 1HB LEU 26 -12.517 10.230 -0.265
24 2HB LEU 26 2HB LEU 26 -13.197 9.113 -1.446
25 HG LEU 26 HG LEU 26 -15.465 9.984 -1.057
26 1HD1 LEU 26 3HD1 LEU 26 -14.069 12.006 0.754
27 2HD1 LEU 26 2HD1 LEU 26 -15.701 12.214 0.088
28 3HD1 LEU 26 1HD1 LEU 26 -15.382 10.886 1.201
29 1HD2 LEU 26 1HD2 LEU 26 -14.026 10.851 -2.868
30 2HD2 LEU 26 3HD2 LEU 26 -15.100 12.112 -2.242
31 3HD2 LEU 26 2HD2 LEU 26 -13.387 12.095 -1.773
32 H ASP 27 H ASP 27 -13.736 6.649 -1.053
33 HA ASP 27 HA ASP 27 -11.712 5.005 0.252
34 1HB ASP 27 2HB ASP 27 -12.322 3.360 -1.476
35 2HB ASP 27 1HB ASP 27 -13.689 3.919 -0.511
36 H GLU 28 H GLU 28 -10.371 7.067 -0.200
37 HA GLU 28 HA GLU 28 -9.431 8.142 -2.430
38 1HB GLU 28 1HB GLU 28 -8.596 8.534 -0.057
39 2HB GLU 28 2HB GLU 28 -7.509 7.163 -0.295
40 1HG GLU 28 1HG GLU 28 -6.801 8.520 -2.495
41 2HG GLU 28 2HG GLU 28 -7.507 9.884 -1.630
42 H CYS 29 H CYS 29 -7.920 5.083 -1.227
43 HA CYS 29 HA CYS 29 -6.115 4.760 -3.387
44 1HB CYS 29 2HB CYS 29 -5.852 3.388 -1.472
45 2HB CYS 29 1HB CYS 29 -7.479 2.714 -1.619
46 H ALA 30 H ALA 30 -9.544 3.785 -3.130
47 HA ALA 30 HA ALA 30 -9.572 2.234 -5.592
48 1HB ALA 30 2HB ALA 30 -11.214 1.929 -3.684
49 2HB ALA 30 1HB ALA 30 -11.883 3.519 -4.094
50 3HB ALA 30 3HB ALA 30 -11.980 2.209 -5.266
51 H SER 31 H SER 31 -10.569 5.537 -4.533
52 HA SER 31 HA SER 31 -11.573 6.491 -6.950
53 1HB SER 31 2HB SER 31 -9.918 8.206 -5.069
54 2HB SER 31 1HB SER 31 -11.363 8.641 -5.994
55 HG SER 31 HG SER 31 -12.437 6.985 -4.586
56 H ARG 32 H ARG 32 -8.193 6.543 -5.762
57 HA ARG 32 HA ARG 32 -7.094 7.815 -8.111
58 1HB ARG 32 2HB ARG 32 -5.834 6.181 -5.870
59 2HB ARG 32 1HB ARG 32 -4.924 7.019 -7.143
60 1HG ARG 32 2HG ARG 32 -5.771 9.183 -6.453
61 2HG ARG 32 1HG ARG 32 -6.897 8.450 -5.308
62 1HD ARG 32 2HD ARG 32 -5.015 9.354 -4.118
63 2HD ARG 32 1HD ARG 32 -5.018 7.583 -3.961
64 HE ARG 32 HE ARG 32 -3.401 8.206 -6.174
65 1HH1 ARG 32 2HH1 ARG 32 -3.397 8.931 -2.690
66 2HH1 ARG 32 1HH1 ARG 32 -1.664 9.060 -2.596
67 1HH2 ARG 32 2HH2 ARG 32 -1.135 8.312 -6.022
68 2HH2 ARG 32 1HH2 ARG 32 -0.355 8.689 -4.511
69 H SER 33 H SER 33 -7.337 4.396 -7.022
70 HA SER 33 HA SER 33 -6.143 3.357 -9.480
71 1HB SER 33 2HB SER 33 -7.627 1.851 -7.300
72 2HB SER 33 1HB SER 33 -6.482 1.206 -8.488
73 HG SER 33 HG SER 33 -5.975 2.986 -6.335
74 H LYS 34 H LYS 34 -8.109 4.968 -10.332
75 HA LYS 34 HA LYS 34 -10.726 3.974 -10.488
76 1HB LYS 34 1HB LYS 34 -10.979 5.471 -12.419
77 2HB LYS 34 2HB LYS 34 -10.134 6.248 -11.073
78 1HG LYS 34 1HG LYS 34 -7.943 5.784 -12.244
79 2HG LYS 34 2HG LYS 34 -8.860 5.148 -13.621
80 1HD LYS 34 2HD LYS 34 -10.048 7.345 -13.805
81 2HD LYS 34 1HD LYS 34 -9.036 7.982 -12.498
82 1HE LYS 34 1HE LYS 34 -8.043 6.922 -15.194
83 2HE LYS 34 2HE LYS 34 -8.181 8.627 -14.737
84 1HZ LYS 34 2HZ LYS 34 -6.582 8.222 -12.997
85 2HZ LYS 34 1HZ LYS 34 -6.426 6.648 -13.463
86 3HZ LYS 34 3HZ LYS 34 -5.962 7.856 -14.479
87 H SER 35 H SER 35 -11.792 2.476 -11.809
88 HA SER 35 HA SER 35 -10.677 1.463 -14.204
89 1HB SER 35 1HB SER 35 -9.175 0.268 -12.546
90 2HB SER 35 2HB SER 35 -10.611 -0.500 -11.861
91 HG SER 35 HG SER 35 -9.330 -1.619 -13.652
92 H GLY 36 H GLY 36 -11.827 -0.846 -14.345
93 1HA GLY 36 2HA GLY 36 -14.455 -1.384 -13.598
94 2HA GLY 36 1HA GLY 36 -14.545 -0.405 -15.094
95 H GLU 37 H GLU 37 -12.543 -0.960 -16.570
96 HA GLU 37 HA GLU 37 -11.880 -3.850 -16.708
97 1HB GLU 37 1HB GLU 37 -12.783 -2.219 -19.129
98 2HB GLU 37 2HB GLU 37 -12.303 -3.911 -19.076
99 1HG GLU 37 1HG GLU 37 -14.641 -3.983 -19.223
100 2HG GLU 37 2HG GLU 37 -14.292 -4.341 -17.527
101 H GLU 38 H GLU 38 -10.262 -1.811 -15.599
102 HA GLU 38 HA GLU 38 -8.179 -1.406 -17.701
103 1HB GLU 38 2HB GLU 38 -8.905 0.536 -15.470
104 2HB GLU 38 1HB GLU 38 -7.678 0.759 -16.716
105 1HG GLU 38 2HG GLU 38 -9.438 0.794 -18.462
106 2HG GLU 38 1HG GLU 38 -10.685 0.584 -17.221
107 H ASP 39 H ASP 39 -6.049 -0.976 -16.686
108 HA ASP 39 HA ASP 39 -5.581 -2.526 -14.170
109 1HB ASP 39 2HB ASP 39 -4.854 -3.857 -16.069
110 2HB ASP 39 1HB ASP 39 -3.949 -2.486 -16.733
111 HA PRO 40 HA PRO 40 -4.093 1.873 -14.013
112 1HB PRO 40 1HB PRO 40 -5.089 2.644 -11.623
113 2HB PRO 40 2HB PRO 40 -6.154 2.426 -13.043
114 1HG PRO 40 2HG PRO 40 -5.597 0.386 -10.859
115 2HG PRO 40 1HG PRO 40 -7.194 0.990 -11.390
116 1HD PRO 40 1HD PRO 40 -6.134 -1.297 -12.398
117 2HD PRO 40 2HD PRO 40 -7.036 -0.169 -13.457
118 H GLN 41 H GLN 41 -2.801 2.961 -12.124
119 HA GLN 41 HA GLN 41 -0.488 1.541 -11.708
120 1HB GLN 41 2HB GLN 41 0.210 3.282 -10.221
121 2HB GLN 41 1HB GLN 41 -0.661 3.961 -11.602
122 1HG GLN 41 1HG GLN 41 -1.859 3.688 -8.827
123 2HG GLN 41 2HG GLN 41 -1.099 5.122 -9.494
124 1HE2 GLN 41 1HE2 GLN 41 -4.807 5.367 -9.986
125 2HE2 GLN 41 2HE2 GLN 41 -3.828 4.972 -8.575
126 HA PRO 42 HA PRO 42 -1.939 -1.145 -8.345
127 1HB PRO 42 2HB PRO 42 0.152 -2.854 -8.145
128 2HB PRO 42 1HB PRO 42 -0.902 -2.824 -9.585
129 1HG PRO 42 2HG PRO 42 1.768 -1.425 -9.250
130 2HG PRO 42 1HG PRO 42 1.264 -2.507 -10.582
131 1HD PRO 42 2HD PRO 42 1.081 0.213 -10.761
132 2HD PRO 42 1HD PRO 42 -0.154 -0.851 -11.505
133 H GLN 43 H GLN 43 -1.637 1.125 -7.311
134 HA GLN 43 HA GLN 43 0.742 1.626 -5.750
135 1HB GLN 43 1HB GLN 43 -0.491 3.562 -4.937
136 2HB GLN 43 2HB GLN 43 -0.598 3.405 -6.685
137 1HG GLN 43 1HG GLN 43 -2.892 2.444 -6.493
138 2HG GLN 43 2HG GLN 43 -2.818 2.606 -4.737
139 1HE2 GLN 43 1HE2 GLN 43 -3.037 6.232 -4.849
140 2HE2 GLN 43 2HE2 GLN 43 -2.168 4.958 -4.000
141 H CYS 44 H CYS 44 -0.135 -0.955 -5.081
142 HA CYS 44 HA CYS 44 -0.116 -0.989 -2.244
143 1HB CYS 44 2HB CYS 44 -2.487 -0.263 -2.489
144 2HB CYS 44 1HB CYS 44 -2.808 -1.628 -3.566
145 H GLN 45 H GLN 45 0.724 -3.158 -1.762
146 HA GLN 45 HA GLN 45 1.174 -4.818 -3.976
147 1HB GLN 45 2HB GLN 45 2.358 -4.613 -1.647
148 2HB GLN 45 1HB GLN 45 1.238 -5.904 -1.160
149 1HG GLN 45 1HG GLN 45 2.005 -7.057 -3.403
150 2HG GLN 45 2HG GLN 45 3.230 -5.767 -3.411
151 1HE2 GLN 45 2HE2 GLN 45 5.033 -7.240 -0.628
152 2HE2 GLN 45 1HE2 GLN 45 4.850 -5.786 -1.624
153 H HIS 46 H HIS 46 -1.111 -5.242 -1.238
154 HA HIS 46 HA HIS 46 -2.458 -7.479 -2.727
155 1HB HIS 46 2HB HIS 46 -2.092 -6.922 0.196
156 2HB HIS 46 1HB HIS 46 -3.307 -8.063 -0.420
157 HD2 HIS 46 HD2 HIS 46 0.222 -8.167 -2.111
158 HE1 HIS 46 HE1 HIS 46 -0.102 -11.462 0.495
159 HE2 HIS 46 HE2 HIS 46 1.367 -10.332 -1.268
160 H LEU 47 H LEU 47 -3.879 -5.700 0.043
161 HA LEU 47 HA LEU 47 -5.731 -4.399 -1.917
162 1HB LEU 47 1HB LEU 47 -7.684 -5.159 -0.589
163 2HB LEU 47 2HB LEU 47 -6.824 -6.379 -1.518
164 HG LEU 47 HG LEU 47 -5.633 -7.027 0.712
165 1HD1 LEU 47 1HD1 LEU 47 -8.084 -5.548 1.779
166 2HD1 LEU 47 2HD1 LEU 47 -7.039 -6.644 2.711
167 3HD1 LEU 47 3HD1 LEU 47 -6.393 -5.119 2.096
168 1HD2 LEU 47 1HD2 LEU 47 -8.600 -7.540 0.282
169 2HD2 LEU 47 3HD2 LEU 47 -7.262 -8.423 -0.485
170 3HD2 LEU 47 2HD2 LEU 47 -7.496 -8.524 1.269
171 H CYS 48 H CYS 48 -6.723 -2.530 -1.331
172 HA CYS 48 HA CYS 48 -5.262 -1.011 0.712
173 1HB CYS 48 2HB CYS 48 -7.311 -0.162 -1.335
174 2HB CYS 48 1HB CYS 48 -6.546 0.881 -0.112
175 H HIS 49 H HIS 49 -6.388 0.469 2.089
176 HA HIS 49 HA HIS 49 -9.205 0.127 2.799
177 1HB HIS 49 2HB HIS 49 -6.866 -0.013 4.721
178 2HB HIS 49 1HB HIS 49 -8.494 0.347 5.220
179 HD2 HIS 49 HD2 HIS 49 -6.612 -2.763 3.642
180 HE1 HIS 49 HE1 HIS 49 -10.254 -4.045 5.382
181 HE2 HIS 49 HE2 HIS 49 -8.158 -4.828 4.168
182 H ASN 50 H ASN 50 -9.646 2.098 4.255
183 HA ASN 50 HA ASN 50 -7.908 4.385 3.666
184 1HB ASN 50 1HB ASN 50 -10.762 4.654 2.815
185 2HB ASN 50 2HB ASN 50 -9.466 5.789 2.593
186 1HD2 ASN 50 2HD2 ASN 50 -9.794 2.672 -0.047
187 2HD2 ASN 50 1HD2 ASN 50 -10.656 2.710 1.492
188 H TYR 51 H TYR 51 -8.402 6.259 4.836
189 HA TYR 51 HA TYR 51 -10.137 6.294 7.104
190 1HB TYR 51 2HB TYR 51 -8.732 5.645 8.873
191 2HB TYR 51 1HB TYR 51 -8.640 4.329 7.743
192 HD1 TYR 51 HD2 TYR 51 -6.481 5.911 5.853
193 HD2 TYR 51 HD1 TYR 51 -6.771 4.995 10.067
194 HE1 TYR 51 HE2 TYR 51 -4.107 6.361 6.105
195 HE2 TYR 51 HE1 TYR 51 -4.350 5.362 10.293
196 HH TYR 51 HH TYR 51 -2.408 5.992 9.232
197 H VAL 52 H VAL 52 -8.810 7.797 8.952
198 HA VAL 52 HA VAL 52 -8.246 10.278 7.614
199 HB VAL 52 HB VAL 52 -8.090 9.240 10.485
200 1HG1 VAL 52 2HG1 VAL 52 -7.578 12.038 9.417
201 2HG1 VAL 52 3HG1 VAL 52 -7.840 11.614 11.132
202 3HG1 VAL 52 1HG1 VAL 52 -6.415 10.990 10.278
203 1HG2 VAL 52 3HG2 VAL 52 -9.924 11.126 8.937
204 2HG2 VAL 52 2HG2 VAL 52 -10.332 9.482 9.470
205 3HG2 VAL 52 1HG2 VAL 52 -10.062 10.764 10.676
206 H GLY 53 H GLY 53 -6.274 11.037 7.040
207 1HA GLY 53 1HA GLY 53 -3.870 11.011 7.007
208 2HA GLY 53 2HA GLY 53 -3.857 9.321 7.537
209 H GLY 54 H GLY 54 -6.419 9.090 5.543
210 1HA GLY 54 1HA GLY 54 -6.596 9.366 3.157
211 2HA GLY 54 2HA GLY 54 -4.871 9.119 2.967
212 H TYR 55 H TYR 55 -4.084 7.024 2.910
213 HA TYR 55 HA TYR 55 -5.932 4.798 3.391
214 1HB TYR 55 1HB TYR 55 -6.061 4.000 1.229
215 2HB TYR 55 2HB TYR 55 -6.097 5.715 0.936
216 HD1 TYR 55 HD1 TYR 55 -4.202 2.569 0.646
217 HD2 TYR 55 HD2 TYR 55 -4.097 6.814 -0.106
218 HE1 TYR 55 HE1 TYR 55 -2.476 2.216 -1.081
219 HE2 TYR 55 HE2 TYR 55 -2.377 6.451 -1.857
220 HH TYR 55 HH TYR 55 -1.191 3.185 -2.703
221 H PHE 56 H PHE 56 -5.034 2.679 3.200
222 HA PHE 56 HA PHE 56 -2.142 2.369 3.345
223 1HB PHE 56 2HB PHE 56 -2.163 1.358 5.558
224 2HB PHE 56 1HB PHE 56 -2.704 3.019 5.693
225 HD1 PHE 56 HD2 PHE 56 -5.300 3.443 5.741
226 HD2 PHE 56 HD1 PHE 56 -3.473 -0.389 6.507
227 HE1 PHE 56 HE2 PHE 56 -7.366 2.675 6.849
228 HE2 PHE 56 HE1 PHE 56 -5.527 -1.130 7.660
229 HZ PHE 56 HZ PHE 56 -7.469 0.410 7.876
230 H CYS 57 H CYS 57 -1.816 -0.164 3.618
231 HA CYS 57 HA CYS 57 -4.124 -1.559 2.342
232 1HB CYS 57 1HB CYS 57 -1.156 -2.068 2.065
233 2HB CYS 57 2HB CYS 57 -2.420 -3.045 1.356
234 H SER 58 H SER 58 -3.985 -3.868 2.559
235 HA SER 58 HA SER 58 -2.950 -4.972 5.038
236 1HB SER 58 2HB SER 58 -5.204 -4.419 5.755
237 2HB SER 58 1HB SER 58 -5.900 -5.252 4.347
238 HG SER 58 HG SER 58 -5.810 -6.529 6.309
239 H CYS 59 H CYS 59 -3.768 -7.417 4.690
240 HA CYS 59 HA CYS 59 -2.756 -8.086 1.929
241 1HB CYS 59 1HB CYS 59 -1.835 -9.443 4.496
242 2HB CYS 59 2HB CYS 59 -1.162 -9.650 2.881
243 H ARG 60 H ARG 60 -2.821 -10.327 1.348
244 HA ARG 60 HA ARG 60 -5.355 -11.656 1.962
245 1HB ARG 60 2HB ARG 60 -2.790 -12.596 0.565
246 2HB ARG 60 1HB ARG 60 -4.297 -13.495 0.572
247 1HG ARG 60 2HG ARG 60 -3.753 -10.813 -0.771
248 2HG ARG 60 1HG ARG 60 -4.097 -12.362 -1.541
249 1HD ARG 60 1HD ARG 60 -5.991 -10.625 0.074
250 2HD ARG 60 2HD ARG 60 -6.081 -10.987 -1.654
251 HE ARG 60 HE ARG 60 -6.206 -13.478 -0.611
252 1HH1 ARG 60 1HH1 ARG 60 -8.068 -10.545 0.052
253 2HH1 ARG 60 2HH1 ARG 60 -9.476 -11.398 0.617
254 1HH2 ARG 60 2HH2 ARG 60 -8.046 -14.604 0.103
255 2HH2 ARG 60 1HH2 ARG 60 -9.469 -13.746 0.627
256 HA PRO 61 HA PRO 61 -4.157 -13.633 5.656
257 1HB PRO 61 2HB PRO 61 -4.755 -16.366 5.257
258 2HB PRO 61 1HB PRO 61 -5.864 -15.082 5.798
259 1HG PRO 61 1HG PRO 61 -5.417 -16.137 2.996
260 2HG PRO 61 2HG PRO 61 -6.978 -15.763 3.785
261 1HD PRO 61 1HD PRO 61 -5.874 -14.041 2.038
262 2HD PRO 61 2HD PRO 61 -6.607 -13.405 3.533
263 H GLY 62 H GLY 62 -2.584 -14.950 6.691
264 1HA GLY 62 2HA GLY 62 -0.588 -16.107 6.843
265 2HA GLY 62 1HA GLY 62 -0.530 -16.337 5.094
266 H TYR 63 H TYR 63 -0.677 -13.751 4.223
267 HA TYR 63 HA TYR 63 2.015 -12.875 4.715
268 1HB TYR 63 2HB TYR 63 -0.158 -11.697 2.961
269 2HB TYR 63 1HB TYR 63 1.341 -10.866 3.292
270 HD1 TYR 63 HD2 TYR 63 0.455 -14.444 2.374
271 HD2 TYR 63 HD1 TYR 63 2.774 -10.913 1.489
272 HE1 TYR 63 HE2 TYR 63 1.589 -15.636 0.531
273 HE2 TYR 63 HE1 TYR 63 3.887 -12.103 -0.355
274 HH TYR 63 HH TYR 63 4.070 -14.090 -1.521
275 H GLU 64 H GLU 64 2.767 -10.953 5.537
276 HA GLU 64 HA GLU 64 1.151 -9.660 7.663
277 1HB GLU 64 1HB GLU 64 3.053 -11.040 8.422
278 2HB GLU 64 2HB GLU 64 4.148 -10.117 7.380
279 1HG GLU 64 2HG GLU 64 3.692 -8.060 8.665
280 2HG GLU 64 1HG GLU 64 2.542 -8.941 9.690
281 H LEU 65 H LEU 65 0.937 -7.511 7.536
282 HA LEU 65 HA LEU 65 1.761 -6.084 5.136
283 1HB LEU 65 1HB LEU 65 -0.538 -6.031 6.280
284 2HB LEU 65 2HB LEU 65 0.207 -5.178 7.618
285 HG LEU 65 HG LEU 65 -1.065 -3.747 6.171
286 1HD1 LEU 65 1HD2 LEU 65 1.087 -2.923 7.308
287 2HD1 LEU 65 3HD2 LEU 65 1.765 -2.921 5.652
288 3HD1 LEU 65 2HD2 LEU 65 0.346 -1.933 6.036
289 1HD2 LEU 65 2HD1 LEU 65 -0.831 -4.844 3.991
290 2HD2 LEU 65 3HD1 LEU 65 -0.334 -3.153 3.890
291 3HD2 LEU 65 1HD1 LEU 65 0.893 -4.419 3.922
292 H GLN 66 H GLN 66 3.550 -4.748 5.059
293 HA GLN 66 HA GLN 66 5.274 -4.697 7.454
294 1HB GLN 66 1HB GLN 66 5.789 -3.701 4.629
295 2HB GLN 66 2HB GLN 66 6.997 -3.998 5.886
296 1HG GLN 66 2HG GLN 66 5.277 -6.112 4.498
297 2HG GLN 66 1HG GLN 66 6.993 -5.779 4.264
298 1HE2 GLN 66 1HE2 GLN 66 6.116 -8.540 6.936
299 2HE2 GLN 66 2HE2 GLN 66 4.902 -7.919 5.818
300 H GLU 67 H GLU 67 6.602 -2.718 7.823
301 HA GLU 67 HA GLU 67 5.045 -0.507 8.591
302 1HB GLU 67 1HB GLU 67 8.043 -0.542 8.021
303 2HB GLU 67 2HB GLU 67 7.169 0.602 9.046
304 1HG GLU 67 1HG GLU 67 7.571 -2.378 9.601
305 2HG GLU 67 2HG GLU 67 8.307 -1.018 10.444
306 H ASP 68 H ASP 68 5.993 -1.282 5.445
307 HA ASP 68 HA ASP 68 6.352 1.370 4.309
308 1HB ASP 68 2HB ASP 68 5.537 -1.293 3.077
309 2HB ASP 68 1HB ASP 68 5.941 0.163 2.160
310 H ARG 69 H ARG 69 3.649 -0.462 5.483
311 HA ARG 69 HA ARG 69 1.532 -0.014 5.681
312 1HB ARG 69 1HB ARG 69 1.659 2.482 3.942
313 2HB ARG 69 2HB ARG 69 0.440 2.029 5.133
314 1HG ARG 69 1HG ARG 69 2.107 2.296 6.948
315 2HG ARG 69 2HG ARG 69 3.332 2.591 5.696
316 1HD ARG 69 1HD ARG 69 2.678 4.680 6.739
317 2HD ARG 69 2HD ARG 69 2.324 4.678 5.022
318 HE ARG 69 HE ARG 69 0.445 4.718 7.301
319 1HH1 ARG 69 1HH2 ARG 69 0.704 4.284 3.770
320 2HH1 ARG 69 2HH2 ARG 69 -0.957 4.801 3.513
321 1HH2 ARG 69 1HH1 ARG 69 -1.698 5.534 6.827
322 2HH2 ARG 69 2HH1 ARG 69 -2.232 5.472 5.156
323 H HIS 70 H HIS 70 2.879 0.284 2.439
324 HA HIS 70 HA HIS 70 0.412 -0.609 1.227
325 1HB HIS 70 1HB HIS 70 2.991 0.494 0.121
326 2HB HIS 70 2HB HIS 70 1.682 -0.109 -0.896
327 HD2 HIS 70 HD2 HIS 70 1.676 2.587 -1.817
328 HE1 HIS 70 HE1 HIS 70 -0.652 3.917 1.455
329 HE2 HIS 70 HE2 HIS 70 0.199 4.534 -0.873
330 H SER 71 H SER 71 3.673 -1.742 1.890
331 HA SER 71 HA SER 71 3.651 -3.948 0.017
332 1HB SER 71 2HB SER 71 5.671 -3.428 2.200
333 2HB SER 71 1HB SER 71 5.903 -4.268 0.665
334 HG SER 71 HG SER 71 6.653 -2.009 0.805
335 H CYS 72 H CYS 72 3.298 -6.076 0.435
336 HA CYS 72 HA CYS 72 2.869 -7.002 3.252
337 1HB CYS 72 2HB CYS 72 1.710 -8.114 0.666
338 2HB CYS 72 1HB CYS 72 1.572 -8.831 2.253
339 H GLN 73 H GLN 73 3.804 -9.066 3.778
340 HA GLN 73 HA GLN 73 5.584 -10.333 1.742
341 1HB GLN 73 2HB GLN 73 6.431 -9.616 4.552
342 2HB GLN 73 1HB GLN 73 7.376 -10.598 3.430
343 1HG GLN 73 1HG GLN 73 7.718 -8.712 1.942
344 2HG GLN 73 2HG GLN 73 6.723 -7.675 2.967
345 1HE2 GLN 73 1HE2 GLN 73 9.742 -8.559 5.423
346 2HE2 GLN 73 2HE2 GLN 73 8.436 -9.690 5.182
347 H ALA 74 H ALA 74 6.308 -12.466 2.619
348 HA ALA 74 HA ALA 74 4.092 -13.796 4.137
349 1HB ALA 74 2HB ALA 74 6.437 -14.939 2.600
350 2HB ALA 74 1HB ALA 74 5.167 -15.862 3.454
351 3HB ALA 74 3HB ALA 74 4.740 -14.847 2.056
352 H GLU 75 H GLU 75 4.905 -12.253 5.664
353 HA GLU 75 HA GLU 75 5.523 -12.165 7.948
354 1HB GLU 75 2HB GLU 75 8.056 -13.671 7.166
355 2HB GLU 75 1HB GLU 75 7.740 -12.903 8.714
356 1HG GLU 75 2HG GLU 75 5.805 -14.333 9.144
357 2HG GLU 75 1HG GLU 75 5.983 -15.123 7.574
No H/Q in entry = 357
Start of MODEL 8
1 1H ALA 23 2H ALA 23 -19.881 3.792 -5.013
2 2H ALA 23 1H ALA 23 -20.874 4.955 -4.456
3 3H ALA 23 3H ALA 23 -21.522 3.708 -5.351
4 HA ALA 23 HA ALA 23 -20.516 4.420 -7.304
5 1HB ALA 23 1HB ALA 23 -22.373 5.953 -6.590
6 2HB ALA 23 3HB ALA 23 -21.173 6.994 -5.790
7 3HB ALA 23 2HB ALA 23 -21.144 6.784 -7.553
8 H VAL 24 H VAL 24 -19.047 6.795 -7.902
9 HA VAL 24 HA VAL 24 -16.416 5.961 -7.192
10 HB VAL 24 HB VAL 24 -17.004 7.187 -9.252
11 1HG1 VAL 24 2HG1 VAL 24 -18.631 8.832 -8.317
12 2HG1 VAL 24 1HG1 VAL 24 -17.298 9.661 -7.487
13 3HG1 VAL 24 3HG1 VAL 24 -17.347 9.605 -9.257
14 1HG2 VAL 24 2HG2 VAL 24 -14.666 7.154 -8.409
15 2HG2 VAL 24 3HG2 VAL 24 -15.047 8.600 -9.358
16 3HG2 VAL 24 1HG2 VAL 24 -14.953 8.708 -7.593
17 H ASP 25 H ASP 25 -14.870 7.033 -5.782
18 HA ASP 25 HA ASP 25 -15.701 9.050 -3.909
19 1HB ASP 25 1HB ASP 25 -16.773 7.001 -2.917
20 2HB ASP 25 2HB ASP 25 -15.200 6.188 -2.934
21 H LEU 26 H LEU 26 -13.738 9.360 -2.360
22 HA LEU 26 HA LEU 26 -11.305 9.352 -4.006
23 1HB LEU 26 2HB LEU 26 -12.030 10.452 -1.275
24 2HB LEU 26 1HB LEU 26 -10.370 10.473 -1.864
25 HG LEU 26 HG LEU 26 -11.557 12.601 -2.167
26 1HD1 LEU 26 2HD2 LEU 26 -9.564 12.002 -3.511
27 2HD1 LEU 26 1HD2 LEU 26 -10.616 11.343 -4.781
28 3HD1 LEU 26 3HD2 LEU 26 -10.681 13.066 -4.382
29 1HD2 LEU 26 2HD1 LEU 26 -13.780 11.651 -2.813
30 2HD2 LEU 26 1HD1 LEU 26 -13.180 12.916 -3.907
31 3HD2 LEU 26 3HD1 LEU 26 -13.088 11.217 -4.400
32 H ASP 27 H ASP 27 -11.771 6.783 -3.880
33 HA ASP 27 HA ASP 27 -10.436 5.577 -1.539
34 1HB ASP 27 2HB ASP 27 -12.148 4.249 -2.624
35 2HB ASP 27 1HB ASP 27 -11.345 4.407 -4.199
36 H GLU 28 H GLU 28 -8.632 7.018 -1.721
37 HA GLU 28 HA GLU 28 -6.762 7.196 -3.807
38 1HB GLU 28 2HB GLU 28 -6.252 7.188 -0.809
39 2HB GLU 28 1HB GLU 28 -5.110 7.747 -2.040
40 1HG GLU 28 2HG GLU 28 -6.765 9.477 -2.764
41 2HG GLU 28 1HG GLU 28 -7.836 8.985 -1.440
42 H CYS 29 H CYS 29 -7.101 4.955 -4.533
43 HA CYS 29 HA CYS 29 -4.781 3.269 -4.299
44 1HB CYS 29 2HB CYS 29 -5.646 2.395 -2.314
45 2HB CYS 29 1HB CYS 29 -7.325 2.545 -2.826
46 H ALA 30 H ALA 30 -8.345 2.969 -4.875
47 HA ALA 30 HA ALA 30 -7.979 1.913 -7.567
48 1HB ALA 30 1HB ALA 30 -9.933 1.312 -6.134
49 2HB ALA 30 2HB ALA 30 -10.470 3.007 -6.170
50 3HB ALA 30 3HB ALA 30 -10.430 2.066 -7.665
51 H SER 31 H SER 31 -9.223 4.964 -6.120
52 HA SER 31 HA SER 31 -9.467 6.333 -8.656
53 1HB SER 31 1HB SER 31 -9.556 7.438 -5.819
54 2HB SER 31 2HB SER 31 -10.244 8.160 -7.285
55 HG SER 31 HG SER 31 -11.851 7.022 -6.107
56 H ARG 32 H ARG 32 -7.039 5.613 -8.991
57 HA ARG 32 HA ARG 32 -5.330 8.007 -8.502
58 1HB ARG 32 1HB ARG 32 -4.548 5.129 -7.890
59 2HB ARG 32 2HB ARG 32 -3.434 6.500 -8.020
60 1HG ARG 32 1HG ARG 32 -4.628 7.640 -6.141
61 2HG ARG 32 2HG ARG 32 -5.662 6.207 -5.976
62 1HD ARG 32 1HD ARG 32 -3.788 6.068 -4.372
63 2HD ARG 32 2HD ARG 32 -3.659 4.801 -5.613
64 HE ARG 32 HE ARG 32 -2.216 7.239 -6.287
65 1HH1 ARG 32 1HH2 ARG 32 -1.966 4.125 -4.557
66 2HH1 ARG 32 2HH2 ARG 32 -0.226 4.197 -4.482
67 1HH2 ARG 32 2HH1 ARG 32 0.047 7.332 -6.085
68 2HH2 ARG 32 1HH1 ARG 32 0.916 5.927 -5.553
69 H SER 33 H SER 33 -6.196 8.187 -10.819
70 HA SER 33 HA SER 33 -5.297 6.397 -12.858
71 1HB SER 33 1HB SER 33 -5.748 9.405 -13.061
72 2HB SER 33 2HB SER 33 -5.859 8.205 -14.361
73 HG SER 33 HG SER 33 -7.919 8.814 -13.411
74 H LYS 34 H LYS 34 -3.161 5.995 -13.311
75 HA LYS 34 HA LYS 34 -0.901 6.198 -13.454
76 1HB LYS 34 2HB LYS 34 -1.327 9.211 -13.527
77 2HB LYS 34 1HB LYS 34 0.154 8.341 -13.914
78 1HG LYS 34 1HG LYS 34 -0.958 7.176 -15.767
79 2HG LYS 34 2HG LYS 34 -2.480 8.018 -15.436
80 1HD LYS 34 1HD LYS 34 0.127 9.474 -16.060
81 2HD LYS 34 2HD LYS 34 -1.017 8.970 -17.313
82 1HE LYS 34 2HE LYS 34 -2.794 10.348 -16.346
83 2HE LYS 34 1HE LYS 34 -1.755 10.815 -14.990
84 1HZ LYS 34 3HZ LYS 34 -1.221 11.439 -17.802
85 2HZ LYS 34 1HZ LYS 34 -1.803 12.480 -16.660
86 3HZ LYS 34 2HZ LYS 34 -0.286 11.862 -16.505
87 H SER 35 H SER 35 -1.617 5.378 -11.181
88 HA SER 35 HA SER 35 -1.304 6.773 -8.837
89 1HB SER 35 2HB SER 35 -0.163 3.990 -9.202
90 2HB SER 35 1HB SER 35 -1.103 4.656 -7.855
91 HG SER 35 HG SER 35 -2.835 4.826 -9.630
92 H GLY 36 H GLY 36 0.380 8.016 -8.131
93 1HA GLY 36 1HA GLY 36 2.842 7.924 -7.503
94 2HA GLY 36 2HA GLY 36 3.155 7.464 -9.185
95 H GLU 37 H GLU 37 1.383 8.935 -10.640
96 HA GLU 37 HA GLU 37 2.416 11.689 -10.438
97 1HB GLU 37 2HB GLU 37 1.879 10.560 -12.647
98 2HB GLU 37 1HB GLU 37 0.167 10.573 -12.189
99 1HG GLU 37 1HG GLU 37 0.304 13.077 -11.948
100 2HG GLU 37 2HG GLU 37 1.972 13.005 -12.541
101 H GLU 38 H GLU 38 -0.665 9.874 -10.174
102 HA GLU 38 HA GLU 38 -1.832 11.952 -8.387
103 1HB GLU 38 2HB GLU 38 -2.937 9.355 -9.525
104 2HB GLU 38 1HB GLU 38 -3.755 10.348 -8.303
105 1HG GLU 38 2HG GLU 38 -3.625 12.328 -9.838
106 2HG GLU 38 1HG GLU 38 -2.906 11.293 -11.080
107 H ASP 39 H ASP 39 -0.709 11.930 -6.554
108 HA ASP 39 HA ASP 39 -0.317 11.408 -4.422
109 1HB ASP 39 1HB ASP 39 -2.217 10.091 -4.053
110 2HB ASP 39 2HB ASP 39 -1.586 8.734 -4.983
111 HA PRO 40 HA PRO 40 3.643 9.826 -5.974
112 1HB PRO 40 2HB PRO 40 5.334 11.333 -4.560
113 2HB PRO 40 1HB PRO 40 4.223 12.052 -5.769
114 1HG PRO 40 1HG PRO 40 3.761 11.879 -2.776
115 2HG PRO 40 2HG PRO 40 3.718 13.348 -3.799
116 1HD PRO 40 1HD PRO 40 1.474 11.916 -3.205
117 2HD PRO 40 2HD PRO 40 1.683 12.687 -4.811
118 H GLN 41 H GLN 41 2.622 7.852 -4.958
119 HA GLN 41 HA GLN 41 4.500 6.692 -3.009
120 1HB GLN 41 1HB GLN 41 1.450 6.650 -2.784
121 2HB GLN 41 2HB GLN 41 2.504 5.575 -1.876
122 1HG GLN 41 2HG GLN 41 3.567 7.522 -0.772
123 2HG GLN 41 1HG GLN 41 2.462 8.609 -1.623
124 1HE2 GLN 41 1HE2 GLN 41 -0.182 8.118 0.669
125 2HE2 GLN 41 2HE2 GLN 41 0.395 8.940 -0.773
126 HA PRO 42 HA PRO 42 3.733 3.462 -6.087
127 1HB PRO 42 1HB PRO 42 4.382 1.145 -4.769
128 2HB PRO 42 2HB PRO 42 5.595 2.386 -5.170
129 1HG PRO 42 1HG PRO 42 4.149 2.014 -2.536
130 2HG PRO 42 2HG PRO 42 5.905 2.179 -2.803
131 1HD PRO 42 1HD PRO 42 4.337 4.300 -2.101
132 2HD PRO 42 2HD PRO 42 5.711 4.500 -3.224
133 H GLN 43 H GLN 43 2.523 0.976 -5.744
134 HA GLN 43 HA GLN 43 -0.111 1.540 -4.451
135 1HB GLN 43 2HB GLN 43 0.598 0.045 -6.997
136 2HB GLN 43 1HB GLN 43 -0.928 -0.227 -6.147
137 1HG GLN 43 1HG GLN 43 -0.080 2.589 -6.923
138 2HG GLN 43 2HG GLN 43 -0.858 1.501 -8.084
139 1HE2 GLN 43 1HE2 GLN 43 -3.955 2.801 -7.030
140 2HE2 GLN 43 2HE2 GLN 43 -2.717 2.900 -8.276
141 H CYS 44 H CYS 44 -0.877 -0.090 -3.120
142 HA CYS 44 HA CYS 44 1.252 -1.653 -1.916
143 1HB CYS 44 2HB CYS 44 -0.316 -2.105 -0.164
144 2HB CYS 44 1HB CYS 44 -0.466 -0.402 -0.627
145 H GLN 45 H GLN 45 0.968 -3.899 -1.261
146 HA GLN 45 HA GLN 45 0.952 -5.381 -3.559
147 1HB GLN 45 1HB GLN 45 1.971 -5.766 -1.124
148 2HB GLN 45 2HB GLN 45 0.633 -6.920 -1.020
149 1HG GLN 45 1HG GLN 45 1.412 -7.906 -3.217
150 2HG GLN 45 2HG GLN 45 2.736 -6.728 -3.214
151 1HE2 GLN 45 2HE2 GLN 45 4.634 -8.428 -0.705
152 2HE2 GLN 45 1HE2 GLN 45 4.504 -6.994 -1.731
153 H HIS 46 H HIS 46 -1.618 -5.938 -1.006
154 HA HIS 46 HA HIS 46 -3.113 -7.422 -3.149
155 1HB HIS 46 2HB HIS 46 -3.387 -7.737 -0.198
156 2HB HIS 46 1HB HIS 46 -4.220 -8.670 -1.429
157 HD2 HIS 46 HD2 HIS 46 -0.775 -8.685 -2.755
158 HE1 HIS 46 HE1 HIS 46 -0.371 -11.130 0.626
159 HE2 HIS 46 HE2 HIS 46 0.815 -10.245 -1.420
160 H LEU 47 H LEU 47 -4.289 -5.848 -0.068
161 HA LEU 47 HA LEU 47 -6.290 -4.457 -1.791
162 1HB LEU 47 1HB LEU 47 -8.081 -5.185 -0.211
163 2HB LEU 47 2HB LEU 47 -7.392 -6.396 -1.285
164 HG LEU 47 HG LEU 47 -5.935 -7.182 0.699
165 1HD1 LEU 47 1HD1 LEU 47 -8.046 -5.573 2.207
166 2HD1 LEU 47 3HD1 LEU 47 -6.921 -6.754 2.917
167 3HD1 LEU 47 2HD1 LEU 47 -6.301 -5.256 2.207
168 1HD2 LEU 47 1HD2 LEU 47 -8.955 -7.500 0.787
169 2HD2 LEU 47 2HD2 LEU 47 -7.824 -8.449 -0.203
170 3HD2 LEU 47 3HD2 LEU 47 -7.764 -8.568 1.562
171 H CYS 48 H CYS 48 -7.406 -2.731 -0.915
172 HA CYS 48 HA CYS 48 -5.687 -1.133 0.915
173 1HB CYS 48 2HB CYS 48 -7.645 -0.202 -1.193
174 2HB CYS 48 1HB CYS 48 -6.475 0.771 -0.282
175 H HIS 49 H HIS 49 -6.748 0.654 2.007
176 HA HIS 49 HA HIS 49 -9.587 0.379 2.797
177 1HB HIS 49 2HB HIS 49 -7.199 0.682 4.655
178 2HB HIS 49 1HB HIS 49 -8.890 0.789 5.151
179 HD2 HIS 49 HD2 HIS 49 -6.104 -1.777 4.904
180 HE1 HIS 49 HE1 HIS 49 -9.686 -3.859 5.702
181 HE2 HIS 49 HE2 HIS 49 -7.104 -3.995 5.715
182 H ASN 50 H ASN 50 -9.993 2.545 4.189
183 HA ASN 50 HA ASN 50 -8.284 4.788 3.279
184 1HB ASN 50 1HB ASN 50 -11.257 5.017 3.211
185 2HB ASN 50 2HB ASN 50 -10.082 6.211 2.690
186 1HD2 ASN 50 2HD2 ASN 50 -9.506 3.696 -0.211
187 2HD2 ASN 50 1HD2 ASN 50 -8.545 3.985 1.244
188 H TYR 51 H TYR 51 -8.600 6.651 4.718
189 HA TYR 51 HA TYR 51 -10.201 6.635 7.032
190 1HB TYR 51 2HB TYR 51 -8.732 6.063 8.809
191 2HB TYR 51 1HB TYR 51 -8.808 4.683 7.773
192 HD1 TYR 51 HD1 TYR 51 -6.573 6.426 5.824
193 HD2 TYR 51 HD2 TYR 51 -6.842 4.830 9.830
194 HE1 TYR 51 HE1 TYR 51 -4.133 6.443 5.995
195 HE2 TYR 51 HE2 TYR 51 -4.381 4.784 9.958
196 HH TYR 51 HH TYR 51 -2.399 5.220 8.865
197 H VAL 52 H VAL 52 -8.992 8.138 8.860
198 HA VAL 52 HA VAL 52 -8.512 10.626 7.703
199 HB VAL 52 HB VAL 52 -9.277 10.133 10.024
200 1HG1 VAL 52 1HG1 VAL 52 -7.700 8.229 10.534
201 2HG1 VAL 52 3HG1 VAL 52 -6.377 9.406 10.649
202 3HG1 VAL 52 2HG1 VAL 52 -7.736 9.487 11.779
203 1HG2 VAL 52 3HG2 VAL 52 -8.357 12.314 9.416
204 2HG2 VAL 52 2HG2 VAL 52 -8.031 11.893 11.116
205 3HG2 VAL 52 1HG2 VAL 52 -6.729 11.769 9.904
206 H GLY 53 H GLY 53 -6.640 11.634 7.012
207 1HA GLY 53 1HA GLY 53 -4.299 11.882 6.751
208 2HA GLY 53 2HA GLY 53 -4.021 10.217 7.272
209 H GLY 54 H GLY 54 -6.368 9.265 5.476
210 1HA GLY 54 2HA GLY 54 -6.560 9.712 2.963
211 2HA GLY 54 1HA GLY 54 -4.853 9.305 2.888
212 H TYR 55 H TYR 55 -4.198 7.198 3.201
213 HA TYR 55 HA TYR 55 -6.220 5.085 3.508
214 1HB TYR 55 2HB TYR 55 -5.828 4.086 1.372
215 2HB TYR 55 1HB TYR 55 -6.176 5.764 1.063
216 HD1 TYR 55 HD2 TYR 55 -4.082 7.308 0.616
217 HD2 TYR 55 HD1 TYR 55 -3.888 2.997 0.649
218 HE1 TYR 55 HE2 TYR 55 -2.067 7.384 -0.796
219 HE2 TYR 55 HE1 TYR 55 -1.878 3.077 -0.786
220 HH TYR 55 HH TYR 55 -0.677 6.114 -2.177
221 H PHE 56 H PHE 56 -5.322 2.919 3.238
222 HA PHE 56 HA PHE 56 -2.548 2.443 3.709
223 1HB PHE 56 2HB PHE 56 -2.705 1.456 5.894
224 2HB PHE 56 1HB PHE 56 -3.248 3.116 6.011
225 HD1 PHE 56 HD1 PHE 56 -5.837 3.534 5.930
226 HD2 PHE 56 HD2 PHE 56 -4.075 -0.326 6.708
227 HE1 PHE 56 HE1 PHE 56 -7.943 2.782 6.983
228 HE2 PHE 56 HE2 PHE 56 -6.169 -1.053 7.794
229 HZ PHE 56 HZ PHE 56 -8.093 0.511 7.988
230 H CYS 57 H CYS 57 -2.612 -0.176 4.286
231 HA CYS 57 HA CYS 57 -4.729 -1.469 2.709
232 1HB CYS 57 1HB CYS 57 -1.724 -1.499 2.167
233 2HB CYS 57 2HB CYS 57 -2.810 -2.672 1.463
234 H SER 58 H SER 58 -4.105 -3.884 2.564
235 HA SER 58 HA SER 58 -2.883 -5.012 4.931
236 1HB SER 58 2HB SER 58 -5.884 -5.355 4.507
237 2HB SER 58 1HB SER 58 -4.908 -6.175 5.724
238 HG SER 58 HG SER 58 -4.439 -3.602 6.019
239 H CYS 59 H CYS 59 -3.329 -7.561 4.699
240 HA CYS 59 HA CYS 59 -3.446 -8.252 1.830
241 1HB CYS 59 1HB CYS 59 -1.024 -8.500 3.621
242 2HB CYS 59 2HB CYS 59 -1.306 -9.724 2.427
243 H ARG 60 H ARG 60 -3.193 -10.534 1.477
244 HA ARG 60 HA ARG 60 -5.419 -11.830 2.766
245 1HB ARG 60 2HB ARG 60 -3.308 -12.766 0.780
246 2HB ARG 60 1HB ARG 60 -4.712 -13.739 1.222
247 1HG ARG 60 2HG ARG 60 -6.262 -12.125 0.341
248 2HG ARG 60 1HG ARG 60 -4.997 -10.917 0.074
249 1HD ARG 60 2HD ARG 60 -5.084 -13.620 -1.312
250 2HD ARG 60 1HD ARG 60 -5.694 -12.098 -2.004
251 HE ARG 60 HE ARG 60 -3.072 -11.565 -1.195
252 1HH1 ARG 60 2HH2 ARG 60 -4.714 -13.663 -3.515
253 2HH1 ARG 60 1HH2 ARG 60 -3.388 -13.706 -4.645
254 1HH2 ARG 60 1HH1 ARG 60 -1.333 -11.602 -2.663
255 2HH2 ARG 60 2HH1 ARG 60 -1.421 -12.509 -4.149
256 HA PRO 61 HA PRO 61 -3.395 -14.082 5.988
257 1HB PRO 61 2HB PRO 61 -4.420 -16.669 4.880
258 2HB PRO 61 1HB PRO 61 -4.558 -16.051 6.546
259 1HG PRO 61 2HG PRO 61 -6.721 -15.942 4.890
260 2HG PRO 61 1HG PRO 61 -6.321 -14.560 5.953
261 1HD PRO 61 2HD PRO 61 -5.717 -14.876 3.009
262 2HD PRO 61 1HD PRO 61 -6.367 -13.462 3.892
263 H GLY 62 H GLY 62 -1.570 -15.490 6.378
264 1HA GLY 62 2HA GLY 62 0.394 -16.578 5.827
265 2HA GLY 62 1HA GLY 62 -0.180 -16.814 4.168
266 H TYR 63 H TYR 63 -0.581 -13.498 4.967
267 HA TYR 63 HA TYR 63 2.144 -12.749 4.416
268 1HB TYR 63 1HB TYR 63 -0.300 -11.866 2.833
269 2HB TYR 63 2HB TYR 63 1.110 -10.859 2.949
270 HD1 TYR 63 HD2 TYR 63 -0.016 -14.249 1.811
271 HD2 TYR 63 HD1 TYR 63 2.872 -11.073 1.394
272 HE1 TYR 63 HE2 TYR 63 0.892 -15.337 -0.214
273 HE2 TYR 63 HE1 TYR 63 3.750 -12.141 -0.653
274 HH TYR 63 HH TYR 63 2.456 -15.230 -1.906
275 H GLU 64 H GLU 64 2.526 -10.530 5.018
276 HA GLU 64 HA GLU 64 0.525 -9.346 6.856
277 1HB GLU 64 2HB GLU 64 3.379 -10.076 7.614
278 2HB GLU 64 1HB GLU 64 2.392 -8.942 8.533
279 1HG GLU 64 2HG GLU 64 1.680 -11.879 8.059
280 2HG GLU 64 1HG GLU 64 2.370 -11.211 9.537
281 H LEU 65 H LEU 65 0.456 -7.253 6.687
282 HA LEU 65 HA LEU 65 1.917 -5.892 4.612
283 1HB LEU 65 1HB LEU 65 -0.539 -5.682 5.274
284 2HB LEU 65 2HB LEU 65 -0.029 -4.908 6.770
285 HG LEU 65 HG LEU 65 -0.904 -3.329 5.239
286 1HD1 LEU 65 3HD1 LEU 65 1.192 -2.747 6.643
287 2HD1 LEU 65 2HD1 LEU 65 2.018 -2.705 5.055
288 3HD1 LEU 65 1HD1 LEU 65 0.616 -1.661 5.375
289 1HD2 LEU 65 3HD2 LEU 65 -0.513 -4.450 3.106
290 2HD2 LEU 65 2HD2 LEU 65 0.064 -2.788 3.064
291 3HD2 LEU 65 1HD2 LEU 65 1.239 -4.095 3.224
292 H GLN 66 H GLN 66 3.785 -4.733 4.857
293 HA GLN 66 HA GLN 66 5.057 -4.818 7.511
294 1HB GLN 66 1HB GLN 66 6.138 -3.875 4.841
295 2HB GLN 66 2HB GLN 66 7.082 -4.237 6.286
296 1HG GLN 66 1HG GLN 66 5.475 -6.261 4.649
297 2HG GLN 66 2HG GLN 66 7.209 -5.974 4.589
298 1HE2 GLN 66 1HE2 GLN 66 5.757 -8.480 7.415
299 2HE2 GLN 66 2HE2 GLN 66 4.679 -7.689 6.273
300 H GLU 67 H GLU 67 6.436 -2.951 8.131
301 HA GLU 67 HA GLU 67 4.910 -0.697 8.767
302 1HB GLU 67 2HB GLU 67 6.887 0.164 9.762
303 2HB GLU 67 1HB GLU 67 6.841 -1.579 10.037
304 1HG GLU 67 1HG GLU 67 8.577 -0.079 8.009
305 2HG GLU 67 2HG GLU 67 9.115 -0.810 9.519
306 H ASP 68 H ASP 68 5.764 -1.188 5.665
307 HA ASP 68 HA ASP 68 6.609 1.591 5.037
308 1HB ASP 68 1HB ASP 68 7.320 0.817 2.948
309 2HB ASP 68 2HB ASP 68 7.905 -0.426 4.065
310 H ARG 69 H ARG 69 3.854 -0.264 5.583
311 HA ARG 69 HA ARG 69 1.715 0.195 5.315
312 1HB ARG 69 2HB ARG 69 2.716 2.728 4.006
313 2HB ARG 69 1HB ARG 69 1.046 2.216 3.844
314 1HG ARG 69 2HG ARG 69 0.732 2.082 6.201
315 2HG ARG 69 1HG ARG 69 2.442 2.422 6.530
316 1HD ARG 69 2HD ARG 69 0.955 4.395 6.887
317 2HD ARG 69 1HD ARG 69 2.242 4.697 5.737
318 HE ARG 69 HE ARG 69 -0.678 4.452 5.224
319 1HH1 ARG 69 2HH2 ARG 69 2.536 4.899 3.758
320 2HH1 ARG 69 1HH2 ARG 69 1.889 5.644 2.316
321 1HH2 ARG 69 2HH1 ARG 69 -1.478 5.360 3.314
322 2HH2 ARG 69 1HH1 ARG 69 -0.374 5.853 2.041
323 H HIS 70 H HIS 70 3.623 0.114 2.359
324 HA HIS 70 HA HIS 70 1.252 -0.811 0.896
325 1HB HIS 70 1HB HIS 70 3.939 0.327 0.114
326 2HB HIS 70 2HB HIS 70 2.883 -0.410 -1.080
327 HD2 HIS 70 HD2 HIS 70 1.660 1.567 -2.367
328 HE1 HIS 70 HE1 HIS 70 0.691 3.995 0.944
329 HE2 HIS 70 HE2 HIS 70 0.467 3.785 -1.577
330 H SER 71 H SER 71 4.578 -2.027 1.517
331 HA SER 71 HA SER 71 4.115 -4.351 -0.194
332 1HB SER 71 2HB SER 71 6.437 -3.797 1.689
333 2HB SER 71 1HB SER 71 6.383 -4.950 0.346
334 HG SER 71 HG SER 71 6.313 -2.115 0.224
335 H CYS 72 H CYS 72 3.863 -6.489 0.418
336 HA CYS 72 HA CYS 72 3.389 -7.090 3.312
337 1HB CYS 72 1HB CYS 72 2.043 -8.344 0.961
338 2HB CYS 72 2HB CYS 72 1.877 -8.780 2.650
339 H GLN 73 H GLN 73 4.601 -8.683 4.168
340 HA GLN 73 HA GLN 73 6.363 -10.266 2.273
341 1HB GLN 73 2HB GLN 73 6.636 -9.980 5.278
342 2HB GLN 73 1HB GLN 73 7.521 -11.108 4.271
343 1HG GLN 73 1HG GLN 73 8.355 -9.183 2.869
344 2HG GLN 73 2HG GLN 73 7.770 -8.097 4.126
345 1HE2 GLN 73 2HE2 GLN 73 10.379 -9.092 6.442
346 2HE2 GLN 73 1HE2 GLN 73 8.803 -8.330 6.352
347 H ALA 74 H ALA 74 6.518 -12.550 2.954
348 HA ALA 74 HA ALA 74 3.778 -13.676 3.271
349 1HB ALA 74 3HB ALA 74 6.326 -14.937 2.208
350 2HB ALA 74 1HB ALA 74 4.732 -15.717 2.340
351 3HB ALA 74 2HB ALA 74 4.956 -14.339 1.244
352 H GLU 75 H GLU 75 3.344 -14.158 5.449
353 HA GLU 75 HA GLU 75 4.899 -15.800 7.057
354 1HB GLU 75 2HB GLU 75 5.517 -14.115 8.803
355 2HB GLU 75 1HB GLU 75 6.500 -13.986 7.339
356 1HG GLU 75 2HG GLU 75 5.025 -12.075 6.573
357 2HG GLU 75 1HG GLU 75 4.148 -12.218 8.104
No H/Q in entry = 357
Start of MODEL 9
1 1H ALA 23 2H ALA 23 -10.255 7.769 1.845
2 2H ALA 23 3H ALA 23 -9.373 9.168 1.715
3 3H ALA 23 1H ALA 23 -9.665 8.423 3.193
4 HA ALA 23 HA ALA 23 -11.160 10.226 3.109
5 1HB ALA 23 1HB ALA 23 -11.094 10.580 0.655
6 2HB ALA 23 3HB ALA 23 -11.987 9.064 0.406
7 3HB ALA 23 2HB ALA 23 -12.766 10.433 1.226
8 H VAL 24 H VAL 24 -13.588 9.919 3.643
9 HA VAL 24 HA VAL 24 -13.993 7.367 4.879
10 HB VAL 24 HB VAL 24 -16.283 8.129 5.281
11 1HG1 VAL 24 3HG1 VAL 24 -14.416 8.825 6.753
12 2HG1 VAL 24 2HG1 VAL 24 -14.212 10.309 5.799
13 3HG1 VAL 24 1HG1 VAL 24 -15.713 10.029 6.700
14 1HG2 VAL 24 1HG2 VAL 24 -15.580 10.588 3.605
15 2HG2 VAL 24 2HG2 VAL 24 -16.816 9.365 3.226
16 3HG2 VAL 24 3HG2 VAL 24 -17.005 10.402 4.639
17 H ASP 25 H ASP 25 -14.964 8.728 1.748
18 HA ASP 25 HA ASP 25 -16.476 6.393 0.935
19 1HB ASP 25 1HB ASP 25 -16.980 8.595 -0.020
20 2HB ASP 25 2HB ASP 25 -15.317 8.748 -0.620
21 H LEU 26 H LEU 26 -15.814 4.909 -0.653
22 HA LEU 26 HA LEU 26 -13.034 3.998 -0.450
23 1HB LEU 26 1HB LEU 26 -15.598 2.954 -1.659
24 2HB LEU 26 2HB LEU 26 -14.065 2.216 -2.099
25 HG LEU 26 HG LEU 26 -15.401 1.146 -0.212
26 1HD1 LEU 26 1HD2 LEU 26 -12.450 1.780 0.141
27 2HD1 LEU 26 3HD2 LEU 26 -13.331 0.500 0.998
28 3HD1 LEU 26 2HD2 LEU 26 -13.167 0.434 -0.762
29 1HD2 LEU 26 3HD1 LEU 26 -15.860 3.193 1.117
30 2HD2 LEU 26 2HD1 LEU 26 -15.029 1.937 2.049
31 3HD2 LEU 26 1HD1 LEU 26 -14.124 3.342 1.478
32 H ASP 27 H ASP 27 -12.436 6.198 -1.370
33 HA ASP 27 HA ASP 27 -11.856 5.815 -4.249
34 1HB ASP 27 2HB ASP 27 -13.893 7.203 -4.195
35 2HB ASP 27 1HB ASP 27 -13.119 8.334 -3.070
36 H GLU 28 H GLU 28 -10.030 5.151 -2.875
37 HA GLU 28 HA GLU 28 -7.790 6.800 -3.295
38 1HB GLU 28 1HB GLU 28 -9.168 7.423 -0.820
39 2HB GLU 28 2HB GLU 28 -7.633 6.687 -0.419
40 1HG GLU 28 1HG GLU 28 -6.474 8.318 -1.923
41 2HG GLU 28 2HG GLU 28 -8.032 9.103 -2.233
42 H CYS 29 H CYS 29 -7.084 4.898 -4.112
43 HA CYS 29 HA CYS 29 -6.170 2.831 -4.289
44 1HB CYS 29 1HB CYS 29 -4.749 3.055 -2.383
45 2HB CYS 29 2HB CYS 29 -6.079 2.763 -1.252
46 H ALA 30 H ALA 30 -8.427 2.631 -1.502
47 HA ALA 30 HA ALA 30 -10.145 1.172 -1.053
48 1HB ALA 30 3HB ALA 30 -11.178 2.827 -2.583
49 2HB ALA 30 1HB ALA 30 -10.785 1.792 -3.971
50 3HB ALA 30 2HB ALA 30 -11.932 1.229 -2.745
51 H SER 31 H SER 31 -7.802 -0.206 -1.617
52 HA SER 31 HA SER 31 -6.962 -2.236 -2.125
53 1HB SER 31 1HB SER 31 -9.883 -3.113 -2.000
54 2HB SER 31 2HB SER 31 -8.468 -4.161 -1.862
55 HG SER 31 HG SER 31 -9.055 -1.963 -0.111
56 H ARG 32 H ARG 32 -7.483 -0.519 -4.414
57 HA ARG 32 HA ARG 32 -8.489 -1.869 -6.600
58 1HB ARG 32 1HB ARG 32 -6.926 -0.489 -7.945
59 2HB ARG 32 2HB ARG 32 -7.833 0.447 -6.761
60 1HG ARG 32 2HG ARG 32 -5.931 0.763 -5.363
61 2HG ARG 32 1HG ARG 32 -5.011 -0.538 -6.096
62 1HD ARG 32 2HD ARG 32 -5.865 1.945 -7.620
63 2HD ARG 32 1HD ARG 32 -4.307 1.784 -6.776
64 HE ARG 32 HE ARG 32 -4.504 -0.498 -8.369
65 1HH1 ARG 32 2HH1 ARG 32 -4.543 2.980 -9.025
66 2HH1 ARG 32 1HH1 ARG 32 -3.661 2.837 -10.527
67 1HH2 ARG 32 2HH2 ARG 32 -3.225 -0.672 -10.186
68 2HH2 ARG 32 1HH2 ARG 32 -3.036 0.680 -11.284
69 H SER 33 H SER 33 -7.481 -2.900 -8.361
70 HA SER 33 HA SER 33 -5.438 -4.909 -7.601
71 1HB SER 33 2HB SER 33 -7.495 -5.589 -8.841
72 2HB SER 33 1HB SER 33 -6.971 -4.588 -10.215
73 HG SER 33 HG SER 33 -6.348 -6.851 -10.329
74 H LYS 34 H LYS 34 -4.162 -5.262 -9.945
75 HA LYS 34 HA LYS 34 -2.129 -4.675 -10.813
76 1HB LYS 34 2HB LYS 34 -3.574 -3.849 -12.509
77 2HB LYS 34 1HB LYS 34 -3.924 -2.365 -11.626
78 1HG LYS 34 2HG LYS 34 -2.455 -2.054 -13.601
79 2HG LYS 34 1HG LYS 34 -1.810 -1.428 -12.112
80 1HD LYS 34 2HD LYS 34 -0.565 -3.882 -12.083
81 2HD LYS 34 1HD LYS 34 -0.876 -3.732 -13.814
82 1HE LYS 34 1HE LYS 34 1.314 -2.813 -13.333
83 2HE LYS 34 2HE LYS 34 0.251 -1.436 -13.676
84 1HZ LYS 34 1HZ LYS 34 -0.018 -1.221 -11.259
85 2HZ LYS 34 2HZ LYS 34 1.074 -2.415 -11.015
86 3HZ LYS 34 3HZ LYS 34 1.538 -1.005 -11.742
87 H SER 35 H SER 35 -1.555 -4.597 -8.391
88 HA SER 35 HA SER 35 -1.074 -2.032 -7.255
89 1HB SER 35 2HB SER 35 0.143 -3.615 -5.561
90 2HB SER 35 1HB SER 35 -1.615 -3.655 -5.726
91 HG SER 35 HG SER 35 -0.760 -5.745 -5.795
92 H GLY 36 H GLY 36 1.390 -1.847 -6.226
93 1HA GLY 36 1HA GLY 36 3.693 -2.111 -6.594
94 2HA GLY 36 2HA GLY 36 3.441 -2.493 -8.296
95 H GLU 37 H GLU 37 3.490 -0.784 -9.768
96 HA GLU 37 HA GLU 37 3.628 2.012 -8.719
97 1HB GLU 37 2HB GLU 37 5.441 0.738 -10.811
98 2HB GLU 37 1HB GLU 37 5.421 2.446 -10.343
99 1HG GLU 37 1HG GLU 37 5.996 1.786 -7.993
100 2HG GLU 37 2HG GLU 37 6.146 0.103 -8.525
101 H GLU 38 H GLU 38 3.312 3.609 -10.505
102 HA GLU 38 HA GLU 38 2.085 3.086 -12.983
103 1HB GLU 38 1HB GLU 38 0.291 2.380 -11.055
104 2HB GLU 38 2HB GLU 38 0.024 4.101 -11.024
105 1HG GLU 38 2HG GLU 38 -0.589 3.943 -13.498
106 2HG GLU 38 1HG GLU 38 -0.093 2.248 -13.471
107 H ASP 39 H ASP 39 0.621 5.347 -13.162
108 HA ASP 39 HA ASP 39 2.599 7.471 -13.097
109 1HB ASP 39 1HB ASP 39 1.079 7.484 -14.928
110 2HB ASP 39 2HB ASP 39 -0.341 7.433 -13.884
111 HA PRO 40 HA PRO 40 -0.023 9.067 -9.404
112 1HB PRO 40 2HB PRO 40 -1.806 7.349 -8.175
113 2HB PRO 40 1HB PRO 40 -2.241 8.449 -9.523
114 1HG PRO 40 2HG PRO 40 -1.456 5.533 -9.717
115 2HG PRO 40 1HG PRO 40 -2.929 6.316 -10.373
116 1HD PRO 40 2HD PRO 40 -0.867 5.989 -11.976
117 2HD PRO 40 1HD PRO 40 -1.643 7.586 -11.944
118 H GLN 41 H GLN 41 -0.021 8.289 -6.920
119 HA GLN 41 HA GLN 41 2.586 7.528 -6.439
120 1HB GLN 41 1HB GLN 41 2.161 7.706 -4.203
121 2HB GLN 41 2HB GLN 41 0.908 8.729 -4.886
122 1HG GLN 41 2HG GLN 41 0.504 5.860 -3.854
123 2HG GLN 41 1HG GLN 41 0.239 7.328 -2.943
124 1HE2 GLN 41 2HE2 GLN 41 -2.509 6.450 -5.894
125 2HE2 GLN 41 1HE2 GLN 41 -0.843 5.928 -6.122
126 HA PRO 42 HA PRO 42 2.969 3.137 -6.739
127 1HB PRO 42 1HB PRO 42 4.067 3.281 -3.913
128 2HB PRO 42 2HB PRO 42 4.668 2.299 -5.284
129 1HG PRO 42 2HG PRO 42 5.884 4.647 -4.703
130 2HG PRO 42 1HG PRO 42 5.477 4.274 -6.405
131 1HD PRO 42 2HD PRO 42 3.977 6.062 -4.480
132 2HD PRO 42 1HD PRO 42 4.380 6.315 -6.207
133 H GLN 43 H GLN 43 1.740 1.347 -6.279
134 HA GLN 43 HA GLN 43 -0.565 1.746 -4.427
135 1HB GLN 43 1HB GLN 43 -0.210 -0.282 -6.613
136 2HB GLN 43 2HB GLN 43 -1.721 0.176 -5.807
137 1HG GLN 43 2HG GLN 43 -1.959 1.331 -7.780
138 2HG GLN 43 1HG GLN 43 -1.058 2.568 -6.899
139 1HE2 GLN 43 1HE2 GLN 43 0.752 0.415 -9.959
140 2HE2 GLN 43 2HE2 GLN 43 -0.721 -0.225 -9.241
141 H CYS 44 H CYS 44 -0.542 0.585 -2.559
142 HA CYS 44 HA CYS 44 1.411 -1.169 -1.675
143 1HB CYS 44 1HB CYS 44 -1.542 -1.015 -0.965
144 2HB CYS 44 2HB CYS 44 -0.356 -1.954 -0.053
145 H GLN 45 H GLN 45 1.862 -3.366 -1.839
146 HA GLN 45 HA GLN 45 1.315 -4.786 -4.015
147 1HB GLN 45 2HB GLN 45 2.128 -5.528 -1.239
148 2HB GLN 45 1HB GLN 45 1.667 -6.812 -2.342
149 1HG GLN 45 2HG GLN 45 3.908 -6.615 -2.545
150 2HG GLN 45 1HG GLN 45 3.222 -6.035 -4.063
151 1HE2 GLN 45 2HE2 GLN 45 6.130 -3.994 -2.470
152 2HE2 GLN 45 1HE2 GLN 45 5.931 -5.617 -3.096
153 H HIS 46 H HIS 46 -0.679 -5.031 -1.058
154 HA HIS 46 HA HIS 46 -2.439 -7.005 -2.458
155 1HB HIS 46 2HB HIS 46 -1.708 -6.486 0.391
156 2HB HIS 46 1HB HIS 46 -3.117 -7.474 -0.060
157 HD2 HIS 46 HD2 HIS 46 -0.018 -8.180 -2.317
158 HE1 HIS 46 HE1 HIS 46 -0.361 -11.219 0.606
159 HE2 HIS 46 HE2 HIS 46 0.855 -10.516 -1.547
160 H LEU 47 H LEU 47 -3.355 -4.968 0.402
161 HA LEU 47 HA LEU 47 -5.434 -3.717 -1.283
162 1HB LEU 47 2HB LEU 47 -7.230 -4.569 0.292
163 2HB LEU 47 1HB LEU 47 -6.548 -5.696 -0.864
164 HG LEU 47 HG LEU 47 -5.210 -6.725 0.978
165 1HD1 LEU 47 1HD1 LEU 47 -6.865 -4.840 2.734
166 2HD1 LEU 47 3HD1 LEU 47 -5.853 -6.183 3.312
167 3HD1 LEU 47 2HD1 LEU 47 -5.108 -4.787 2.516
168 1HD2 LEU 47 3HD2 LEU 47 -7.482 -7.550 0.291
169 2HD2 LEU 47 1HD2 LEU 47 -7.120 -7.850 2.002
170 3HD2 LEU 47 2HD2 LEU 47 -8.203 -6.521 1.537
171 H CYS 48 H CYS 48 -6.993 -2.327 0.115
172 HA CYS 48 HA CYS 48 -5.616 -1.064 2.343
173 1HB CYS 48 1HB CYS 48 -6.455 0.956 0.317
174 2HB CYS 48 2HB CYS 48 -5.220 1.003 1.530
175 H HIS 49 H HIS 49 -6.858 0.076 3.645
176 HA HIS 49 HA HIS 49 -9.801 -0.060 3.379
177 1HB HIS 49 1HB HIS 49 -8.120 0.797 5.757
178 2HB HIS 49 2HB HIS 49 -9.801 0.272 5.761
179 HD2 HIS 49 HD2 HIS 49 -6.176 -1.301 5.288
180 HE1 HIS 49 HE1 HIS 49 -8.737 -4.103 7.154
181 HE2 HIS 49 HE2 HIS 49 -6.304 -3.581 6.530
182 H ASN 50 H ASN 50 -10.939 1.933 3.344
183 HA ASN 50 HA ASN 50 -9.317 4.408 2.996
184 1HB ASN 50 2HB ASN 50 -11.654 3.312 1.665
185 2HB ASN 50 1HB ASN 50 -12.106 4.828 2.424
186 1HD2 ASN 50 2HD2 ASN 50 -9.691 4.818 -0.801
187 2HD2 ASN 50 1HD2 ASN 50 -10.785 3.517 -0.389
188 H TYR 51 H TYR 51 -9.689 6.240 4.315
189 HA TYR 51 HA TYR 51 -11.856 6.245 6.216
190 1HB TYR 51 2HB TYR 51 -10.767 5.926 8.225
191 2HB TYR 51 1HB TYR 51 -10.087 4.653 7.242
192 HD1 TYR 51 HD1 TYR 51 -7.907 5.868 5.768
193 HD2 TYR 51 HD2 TYR 51 -9.184 6.588 9.811
194 HE1 TYR 51 HE1 TYR 51 -5.661 6.782 6.311
195 HE2 TYR 51 HE2 TYR 51 -6.947 7.472 10.360
196 HH TYR 51 HH TYR 51 -4.861 8.030 9.554
197 H VAL 52 H VAL 52 -11.124 8.193 7.979
198 HA VAL 52 HA VAL 52 -10.972 10.500 6.346
199 HB VAL 52 HB VAL 52 -12.139 10.230 8.582
200 1HG1 VAL 52 2HG2 VAL 52 -10.392 8.912 9.778
201 2HG1 VAL 52 3HG2 VAL 52 -9.330 10.333 9.780
202 3HG1 VAL 52 1HG2 VAL 52 -10.861 10.364 10.668
203 1HG2 VAL 52 2HG1 VAL 52 -11.617 12.445 7.687
204 2HG2 VAL 52 1HG1 VAL 52 -11.613 12.398 9.469
205 3HG2 VAL 52 3HG1 VAL 52 -10.069 12.437 8.582
206 H GLY 53 H GLY 53 -9.302 12.108 6.248
207 1HA GLY 53 1HA GLY 53 -7.102 12.786 6.135
208 2HA GLY 53 2HA GLY 53 -6.614 11.412 7.133
209 H GLY 54 H GLY 54 -7.820 9.332 5.333
210 1HA GLY 54 1HA GLY 54 -6.993 9.537 2.675
211 2HA GLY 54 2HA GLY 54 -5.518 9.127 3.553
212 H TYR 55 H TYR 55 -5.056 6.979 3.508
213 HA TYR 55 HA TYR 55 -7.125 4.973 3.964
214 1HB TYR 55 1HB TYR 55 -6.637 3.733 1.946
215 2HB TYR 55 2HB TYR 55 -7.268 5.314 1.538
216 HD1 TYR 55 HD2 TYR 55 -5.665 7.083 0.622
217 HD2 TYR 55 HD1 TYR 55 -4.370 3.050 1.369
218 HE1 TYR 55 HE2 TYR 55 -4.001 7.284 -1.199
219 HE2 TYR 55 HE1 TYR 55 -2.661 3.267 -0.416
220 HH TYR 55 HH TYR 55 -2.390 6.228 -2.410
221 H PHE 56 H PHE 56 -6.137 2.915 4.486
222 HA PHE 56 HA PHE 56 -3.183 2.976 4.827
223 1HB PHE 56 1HB PHE 56 -3.374 1.664 6.905
224 2HB PHE 56 2HB PHE 56 -3.762 3.345 7.018
225 HD1 PHE 56 HD2 PHE 56 -6.261 3.993 7.276
226 HD2 PHE 56 HD1 PHE 56 -4.920 -0.101 7.422
227 HE1 PHE 56 HE2 PHE 56 -8.390 3.328 8.363
228 HE2 PHE 56 HE1 PHE 56 -7.029 -0.752 8.537
229 HZ PHE 56 HZ PHE 56 -8.773 0.957 9.006
230 H CYS 57 H CYS 57 -2.258 1.068 4.725
231 HA CYS 57 HA CYS 57 -3.694 -0.830 2.970
232 1HB CYS 57 1HB CYS 57 -0.738 -0.506 3.372
233 2HB CYS 57 2HB CYS 57 -1.518 -1.584 2.219
234 H SER 58 H SER 58 -3.012 -3.081 3.007
235 HA SER 58 HA SER 58 -2.232 -4.399 5.442
236 1HB SER 58 2HB SER 58 -5.183 -4.206 4.723
237 2HB SER 58 1HB SER 58 -4.565 -5.549 5.690
238 HG SER 58 HG SER 58 -3.882 -2.968 6.494
239 H CYS 59 H CYS 59 -3.193 -6.920 4.960
240 HA CYS 59 HA CYS 59 -2.413 -7.446 2.143
241 1HB CYS 59 2HB CYS 59 -1.558 -9.085 4.546
242 2HB CYS 59 1HB CYS 59 -0.996 -9.258 2.909
243 H ARG 60 H ARG 60 -2.857 -9.666 1.476
244 HA ARG 60 HA ARG 60 -5.594 -10.474 2.095
245 1HB ARG 60 2HB ARG 60 -3.428 -11.995 0.581
246 2HB ARG 60 1HB ARG 60 -5.168 -12.263 0.463
247 1HG ARG 60 1HG ARG 60 -3.688 -9.779 -0.499
248 2HG ARG 60 2HG ARG 60 -4.219 -11.108 -1.511
249 1HD ARG 60 2HD ARG 60 -6.511 -10.588 -1.187
250 2HD ARG 60 1HD ARG 60 -6.158 -9.455 0.136
251 HE ARG 60 HE ARG 60 -4.740 -8.332 -1.857
252 1HH1 ARG 60 2HH1 ARG 60 -8.107 -9.419 -1.794
253 2HH1 ARG 60 1HH1 ARG 60 -8.657 -8.193 -2.902
254 1HH2 ARG 60 1HH2 ARG 60 -5.498 -6.616 -3.164
255 2HH2 ARG 60 2HH2 ARG 60 -7.138 -6.625 -3.741
256 HA PRO 61 HA PRO 61 -4.797 -13.054 5.521
257 1HB PRO 61 1HB PRO 61 -5.619 -15.537 4.040
258 2HB PRO 61 2HB PRO 61 -6.149 -14.984 5.652
259 1HG PRO 61 2HG PRO 61 -7.787 -14.599 3.521
260 2HG PRO 61 1HG PRO 61 -7.544 -13.280 4.704
261 1HD PRO 61 1HD PRO 61 -6.225 -13.628 2.008
262 2HD PRO 61 2HD PRO 61 -6.944 -12.157 2.731
263 H GLY 62 H GLY 62 -3.402 -14.661 6.484
264 1HA GLY 62 2HA GLY 62 -1.539 -15.988 6.663
265 2HA GLY 62 1HA GLY 62 -1.468 -16.171 4.910
266 H TYR 63 H TYR 63 -1.230 -13.611 4.114
267 HA TYR 63 HA TYR 63 1.550 -13.067 4.627
268 1HB TYR 63 1HB TYR 63 -0.550 -11.785 2.867
269 2HB TYR 63 2HB TYR 63 1.019 -11.045 3.068
270 HD1 TYR 63 HD1 TYR 63 -0.250 -14.550 2.319
271 HD2 TYR 63 HD2 TYR 63 2.469 -11.351 1.314
272 HE1 TYR 63 HE1 TYR 63 0.711 -15.923 0.506
273 HE2 TYR 63 HE2 TYR 63 3.414 -12.724 -0.500
274 HH TYR 63 HH TYR 63 3.340 -14.751 -1.610
275 H GLU 64 H GLU 64 2.316 -10.725 4.886
276 HA GLU 64 HA GLU 64 0.742 -9.148 6.783
277 1HB GLU 64 1HB GLU 64 2.963 -10.949 7.587
278 2HB GLU 64 2HB GLU 64 3.294 -9.284 8.034
279 1HG GLU 64 1HG GLU 64 0.777 -10.817 8.746
280 2HG GLU 64 2HG GLU 64 2.183 -10.553 9.800
281 H LEU 65 H LEU 65 1.640 -7.052 7.109
282 HA LEU 65 HA LEU 65 3.044 -6.115 4.706
283 1HB LEU 65 2HB LEU 65 1.408 -4.872 6.884
284 2HB LEU 65 1HB LEU 65 2.802 -3.935 6.384
285 HG LEU 65 HG LEU 65 0.495 -4.774 4.602
286 1HD1 LEU 65 2HD2 LEU 65 0.109 -2.886 6.158
287 2HD1 LEU 65 3HD2 LEU 65 1.555 -2.076 5.518
288 3HD1 LEU 65 1HD2 LEU 65 0.156 -2.358 4.465
289 1HD2 LEU 65 3HD1 LEU 65 3.078 -3.304 3.881
290 2HD2 LEU 65 2HD1 LEU 65 2.495 -4.809 3.154
291 3HD2 LEU 65 1HD1 LEU 65 1.608 -3.332 2.874
292 H GLN 66 H GLN 66 5.154 -5.603 4.639
293 HA GLN 66 HA GLN 66 6.770 -6.210 7.057
294 1HB GLN 66 2HB GLN 66 7.704 -5.257 4.333
295 2HB GLN 66 1HB GLN 66 8.645 -6.091 5.580
296 1HG GLN 66 1HG GLN 66 6.393 -7.292 3.884
297 2HG GLN 66 2HG GLN 66 8.124 -7.575 3.766
298 1HE2 GLN 66 1HE2 GLN 66 5.927 -9.820 6.334
299 2HE2 GLN 66 2HE2 GLN 66 5.133 -8.489 5.558
300 H GLU 67 H GLU 67 8.717 -4.484 7.212
301 HA GLU 67 HA GLU 67 7.535 -1.951 8.004
302 1HB GLU 67 1HB GLU 67 10.458 -2.853 7.873
303 2HB GLU 67 2HB GLU 67 9.845 -1.392 8.641
304 1HG GLU 67 1HG GLU 67 10.198 -2.949 10.394
305 2HG GLU 67 2HG GLU 67 8.450 -2.811 10.185
306 H ASP 68 H ASP 68 6.730 -1.860 5.728
307 HA ASP 68 HA ASP 68 8.271 0.092 4.131
308 1HB ASP 68 2HB ASP 68 8.987 -2.080 3.261
309 2HB ASP 68 1HB ASP 68 7.306 -2.619 3.126
310 H ARG 69 H ARG 69 5.237 -1.200 5.286
311 HA ARG 69 HA ARG 69 3.176 -0.383 5.231
312 1HB ARG 69 2HB ARG 69 4.397 1.871 5.143
313 2HB ARG 69 1HB ARG 69 3.952 1.933 3.435
314 1HG ARG 69 1HG ARG 69 1.523 1.522 4.180
315 2HG ARG 69 2HG ARG 69 2.091 1.831 5.829
316 1HD ARG 69 2HD ARG 69 3.012 4.032 5.035
317 2HD ARG 69 1HD ARG 69 2.325 3.735 3.438
318 HE ARG 69 HE ARG 69 0.990 4.651 5.835
319 1HH1 ARG 69 1HH1 ARG 69 0.376 2.802 2.886
320 2HH1 ARG 69 2HH1 ARG 69 -1.263 3.359 2.708
321 1HH2 ARG 69 1HH2 ARG 69 -1.115 5.412 5.611
322 2HH2 ARG 69 2HH2 ARG 69 -2.143 4.898 4.309
323 H HIS 70 H HIS 70 4.754 -0.537 2.064
324 HA HIS 70 HA HIS 70 2.182 -1.107 0.706
325 1HB HIS 70 2HB HIS 70 4.968 -0.308 -0.187
326 2HB HIS 70 1HB HIS 70 3.825 -1.034 -1.310
327 HD2 HIS 70 HD2 HIS 70 2.902 0.938 -2.798
328 HE1 HIS 70 HE1 HIS 70 2.026 3.687 0.296
329 HE2 HIS 70 HE2 HIS 70 1.810 3.237 -2.224
330 H SER 71 H SER 71 5.405 -2.543 1.134
331 HA SER 71 HA SER 71 4.646 -4.875 -0.400
332 1HB SER 71 2HB SER 71 7.175 -4.400 1.186
333 2HB SER 71 1HB SER 71 6.908 -5.613 -0.077
334 HG SER 71 HG SER 71 6.905 -2.781 -0.356
335 H CYS 72 H CYS 72 3.571 -6.573 0.191
336 HA CYS 72 HA CYS 72 3.616 -7.427 3.035
337 1HB CYS 72 1HB CYS 72 1.890 -8.504 0.791
338 2HB CYS 72 2HB CYS 72 1.822 -8.932 2.476
339 H GLN 73 H GLN 73 4.204 -9.587 3.582
340 HA GLN 73 HA GLN 73 5.214 -11.346 1.420
341 1HB GLN 73 1HB GLN 73 6.807 -10.789 3.932
342 2HB GLN 73 2HB GLN 73 7.187 -12.002 2.714
343 1HG GLN 73 1HG GLN 73 7.340 -10.212 0.975
344 2HG GLN 73 2HG GLN 73 7.215 -8.999 2.244
345 1HE2 GLN 73 2HE2 GLN 73 10.511 -10.238 3.621
346 2HE2 GLN 73 1HE2 GLN 73 8.904 -10.134 4.300
347 H ALA 74 H ALA 74 5.719 -13.546 2.566
348 HA ALA 74 HA ALA 74 3.137 -14.298 3.784
349 1HB ALA 74 1HB ALA 74 3.987 -15.466 1.807
350 2HB ALA 74 2HB ALA 74 5.407 -15.996 2.750
351 3HB ALA 74 3HB ALA 74 3.769 -16.546 3.207
352 H GLU 75 H GLU 75 4.571 -12.847 5.468
353 HA GLU 75 HA GLU 75 4.532 -14.069 7.911
354 1HB GLU 75 1HB GLU 75 6.994 -14.092 8.487
355 2HB GLU 75 2HB GLU 75 6.408 -15.450 7.534
356 1HG GLU 75 2HG GLU 75 8.553 -14.840 6.693
357 2HG GLU 75 1HG GLU 75 7.375 -14.404 5.461
No H/Q in entry = 357
Start of MODEL 10
1 1H ALA 23 1H ALA 23 -9.683 8.768 -5.639
2 2H ALA 23 3H ALA 23 -8.154 8.203 -5.684
3 3H ALA 23 2H ALA 23 -8.611 9.296 -4.504
4 HA ALA 23 HA ALA 23 -8.921 11.000 -6.074
5 1HB ALA 23 2HB ALA 23 -6.620 10.758 -5.276
6 2HB ALA 23 1HB ALA 23 -6.256 9.605 -6.576
7 3HB ALA 23 3HB ALA 23 -6.643 11.293 -6.967
8 H VAL 24 H VAL 24 -7.548 8.179 -7.914
9 HA VAL 24 HA VAL 24 -8.892 9.142 -10.387
10 HB VAL 24 HB VAL 24 -7.121 6.705 -9.903
11 1HG1 VAL 24 1HG1 VAL 24 -8.046 8.075 -12.474
12 2HG1 VAL 24 3HG1 VAL 24 -6.916 6.710 -12.371
13 3HG1 VAL 24 2HG1 VAL 24 -8.603 6.493 -11.896
14 1HG2 VAL 24 1HG2 VAL 24 -6.432 9.445 -11.056
15 2HG2 VAL 24 2HG2 VAL 24 -5.821 8.776 -9.529
16 3HG2 VAL 24 3HG2 VAL 24 -5.366 8.025 -11.061
17 H ASP 25 H ASP 25 -10.780 9.040 -9.037
18 HA ASP 25 HA ASP 25 -12.967 8.008 -9.080
19 1HB ASP 25 1HB ASP 25 -12.268 5.709 -9.774
20 2HB ASP 25 2HB ASP 25 -11.498 5.471 -8.187
21 H LEU 26 H LEU 26 -14.153 7.668 -6.908
22 HA LEU 26 HA LEU 26 -13.039 9.205 -4.857
23 1HB LEU 26 2HB LEU 26 -15.219 7.068 -4.908
24 2HB LEU 26 1HB LEU 26 -14.786 7.884 -3.411
25 HG LEU 26 HG LEU 26 -16.739 8.891 -4.373
26 1HD1 LEU 26 3HD1 LEU 26 -15.014 10.227 -3.094
27 2HD1 LEU 26 2HD1 LEU 26 -14.431 10.856 -4.650
28 3HD1 LEU 26 1HD1 LEU 26 -16.097 11.172 -4.139
29 1HD2 LEU 26 3HD2 LEU 26 -16.269 8.460 -6.793
30 2HD2 LEU 26 1HD2 LEU 26 -16.785 10.119 -6.444
31 3HD2 LEU 26 2HD2 LEU 26 -15.079 9.786 -6.768
32 H ASP 27 H ASP 27 -12.800 5.904 -5.446
33 HA ASP 27 HA ASP 27 -11.724 5.024 -2.980
34 1HB ASP 27 2HB ASP 27 -12.617 3.546 -4.745
35 2HB ASP 27 1HB ASP 27 -11.166 3.826 -5.709
36 H GLU 28 H GLU 28 -10.137 6.197 -2.091
37 HA GLU 28 HA GLU 28 -7.936 7.384 -3.341
38 1HB GLU 28 1HB GLU 28 -8.156 6.304 -0.495
39 2HB GLU 28 2HB GLU 28 -6.870 7.360 -1.086
40 1HG GLU 28 2HG GLU 28 -9.818 8.125 -1.123
41 2HG GLU 28 1HG GLU 28 -8.694 8.529 0.172
42 H CYS 29 H CYS 29 -7.641 4.292 -1.423
43 HA CYS 29 HA CYS 29 -4.999 3.986 -2.300
44 1HB CYS 29 2HB CYS 29 -6.338 2.765 -0.407
45 2HB CYS 29 1HB CYS 29 -6.560 1.517 -1.646
46 H ALA 30 H ALA 30 -7.977 2.756 -3.861
47 HA ALA 30 HA ALA 30 -6.802 1.041 -5.785
48 1HB ALA 30 3HB ALA 30 -9.212 1.206 -5.469
49 2HB ALA 30 1HB ALA 30 -9.178 2.877 -6.120
50 3HB ALA 30 2HB ALA 30 -8.768 1.502 -7.158
51 H SER 31 H SER 31 -6.833 4.582 -5.599
52 HA SER 31 HA SER 31 -6.244 5.141 -8.329
53 1HB SER 31 1HB SER 31 -5.313 6.686 -5.880
54 2HB SER 31 2HB SER 31 -5.463 7.283 -7.529
55 HG SER 31 HG SER 31 -7.701 6.195 -6.113
56 H ARG 32 H ARG 32 -4.262 3.807 -5.723
57 HA ARG 32 HA ARG 32 -1.741 4.309 -7.197
58 1HB ARG 32 1HB ARG 32 -2.242 2.979 -4.507
59 2HB ARG 32 2HB ARG 32 -0.689 3.373 -5.252
60 1HG ARG 32 2HG ARG 32 -1.428 5.820 -5.291
61 2HG ARG 32 1HG ARG 32 -2.799 5.333 -4.275
62 1HD ARG 32 1HD ARG 32 -0.977 6.160 -2.878
63 2HD ARG 32 2HD ARG 32 -1.201 4.415 -2.600
64 HE ARG 32 HE ARG 32 0.759 5.020 -4.661
65 1HH1 ARG 32 2HH2 ARG 32 0.388 4.817 -1.132
66 2HH1 ARG 32 1HH2 ARG 32 2.043 4.314 -0.877
67 1HH2 ARG 32 1HH1 ARG 32 2.897 4.481 -4.317
68 2HH2 ARG 32 2HH1 ARG 32 3.514 4.069 -2.746
69 H SER 33 H SER 33 -4.102 2.228 -7.907
70 HA SER 33 HA SER 33 -4.199 0.159 -8.817
71 1HB SER 33 1HB SER 33 -1.268 0.671 -9.473
72 2HB SER 33 2HB SER 33 -2.357 -0.460 -10.290
73 HG SER 33 HG SER 33 -2.784 2.350 -10.093
74 H LYS 34 H LYS 34 -4.190 -0.219 -6.267
75 HA LYS 34 HA LYS 34 -2.086 -1.751 -5.123
76 1HB LYS 34 2HB LYS 34 -4.008 -2.543 -3.556
77 2HB LYS 34 1HB LYS 34 -3.482 -0.864 -3.526
78 1HG LYS 34 1HG LYS 34 -5.328 -0.041 -4.549
79 2HG LYS 34 2HG LYS 34 -5.780 -1.555 -5.363
80 1HD LYS 34 1HD LYS 34 -5.840 -1.579 -2.367
81 2HD LYS 34 2HD LYS 34 -7.029 -0.543 -3.155
82 1HE LYS 34 2HE LYS 34 -7.922 -2.818 -2.729
83 2HE LYS 34 1HE LYS 34 -7.942 -2.371 -4.441
84 1HZ LYS 34 2HZ LYS 34 -5.953 -3.668 -4.744
85 2HZ LYS 34 1HZ LYS 34 -5.928 -4.107 -3.171
86 3HZ LYS 34 3HZ LYS 34 -7.171 -4.589 -4.133
87 H SER 35 H SER 35 -1.597 -3.124 -6.983
88 HA SER 35 HA SER 35 -2.695 -5.823 -6.506
89 1HB SER 35 2HB SER 35 -2.695 -4.605 -9.309
90 2HB SER 35 1HB SER 35 -3.186 -6.246 -8.856
91 HG SER 35 HG SER 35 -4.637 -4.717 -7.347
92 H GLY 36 H GLY 36 -0.278 -5.016 -5.673
93 1HA GLY 36 1HA GLY 36 1.810 -5.365 -7.754
94 2HA GLY 36 2HA GLY 36 2.050 -5.036 -6.035
95 H GLU 37 H GLU 37 0.380 -7.572 -7.891
96 HA GLU 37 HA GLU 37 0.408 -9.703 -6.229
97 1HB GLU 37 2HB GLU 37 1.036 -9.890 -9.204
98 2HB GLU 37 1HB GLU 37 0.343 -11.152 -8.180
99 1HG GLU 37 2HG GLU 37 -0.970 -8.544 -9.056
100 2HG GLU 37 1HG GLU 37 -1.454 -10.191 -9.432
101 H GLU 38 H GLU 38 2.073 -9.941 -4.852
102 HA GLU 38 HA GLU 38 4.159 -10.304 -4.031
103 1HB GLU 38 2HB GLU 38 4.128 -12.565 -6.059
104 2HB GLU 38 1HB GLU 38 5.021 -12.492 -4.531
105 1HG GLU 38 2HG GLU 38 2.002 -12.691 -4.918
106 2HG GLU 38 1HG GLU 38 3.071 -13.854 -4.135
107 H ASP 39 H ASP 39 4.435 -8.177 -5.299
108 HA ASP 39 HA ASP 39 7.072 -8.275 -6.625
109 1HB ASP 39 2HB ASP 39 5.510 -8.243 -8.497
110 2HB ASP 39 1HB ASP 39 4.549 -6.968 -7.732
111 HA PRO 40 HA PRO 40 6.350 -5.652 -2.839
112 1HB PRO 40 2HB PRO 40 9.328 -6.081 -3.056
113 2HB PRO 40 1HB PRO 40 8.335 -5.909 -1.562
114 1HG PRO 40 2HG PRO 40 9.035 -8.377 -2.368
115 2HG PRO 40 1HG PRO 40 7.315 -8.069 -1.966
116 1HD PRO 40 2HD PRO 40 8.614 -8.099 -4.707
117 2HD PRO 40 1HD PRO 40 7.106 -8.881 -4.157
118 H GLN 41 H GLN 41 6.622 -3.419 -2.549
119 HA GLN 41 HA GLN 41 8.269 -1.751 -4.169
120 1HB GLN 41 2HB GLN 41 6.377 -0.801 -5.584
121 2HB GLN 41 1HB GLN 41 6.836 -2.446 -6.010
122 1HG GLN 41 2HG GLN 41 4.867 -3.272 -4.586
123 2HG GLN 41 1HG GLN 41 4.413 -1.587 -4.388
124 1HE2 GLN 41 1HE2 GLN 41 3.931 -3.522 -8.018
125 2HE2 GLN 41 2HE2 GLN 41 4.953 -4.194 -6.753
126 HA PRO 42 HA PRO 42 6.619 0.862 -0.907
127 1HB PRO 42 1HB PRO 42 7.324 3.372 -1.658
128 2HB PRO 42 2HB PRO 42 8.543 2.119 -1.311
129 1HG PRO 42 1HG PRO 42 7.443 2.885 -4.035
130 2HG PRO 42 2HG PRO 42 9.161 2.797 -3.545
131 1HD PRO 42 1HD PRO 42 7.920 0.717 -4.797
132 2HD PRO 42 2HD PRO 42 9.114 0.426 -3.500
133 H GLN 43 H GLN 43 4.585 -0.149 -2.326
134 HA GLN 43 HA GLN 43 2.573 1.905 -2.493
135 1HB GLN 43 2HB GLN 43 3.613 2.092 -4.727
136 2HB GLN 43 1HB GLN 43 3.470 0.356 -4.977
137 1HG GLN 43 2HG GLN 43 1.042 0.510 -5.103
138 2HG GLN 43 1HG GLN 43 1.097 2.192 -4.542
139 1HE2 GLN 43 1HE2 GLN 43 2.374 1.358 -8.398
140 2HE2 GLN 43 2HE2 GLN 43 2.546 0.120 -7.161
141 H CYS 44 H CYS 44 0.649 0.951 -1.950
142 HA CYS 44 HA CYS 44 0.906 -1.387 -0.456
143 1HB CYS 44 2HB CYS 44 -1.561 0.131 -1.258
144 2HB CYS 44 1HB CYS 44 -1.519 -1.212 -0.095
145 H GLN 45 H GLN 45 1.492 -3.187 -1.307
146 HA GLN 45 HA GLN 45 1.117 -4.266 -3.710
147 1HB GLN 45 1HB GLN 45 2.537 -4.892 -1.656
148 2HB GLN 45 2HB GLN 45 1.225 -5.979 -1.194
149 1HG GLN 45 1HG GLN 45 1.462 -7.052 -3.478
150 2HG GLN 45 2HG GLN 45 2.803 -5.902 -3.771
151 1HE2 GLN 45 1HE2 GLN 45 3.701 -9.143 -1.701
152 2HE2 GLN 45 2HE2 GLN 45 2.245 -9.083 -2.697
153 H HIS 46 H HIS 46 -0.879 -5.212 -0.891
154 HA HIS 46 HA HIS 46 -2.588 -6.903 -2.619
155 1HB HIS 46 2HB HIS 46 -2.137 -6.643 0.338
156 2HB HIS 46 1HB HIS 46 -3.442 -7.627 -0.346
157 HD2 HIS 46 HD2 HIS 46 -0.476 -8.231 -2.564
158 HE1 HIS 46 HE1 HIS 46 -0.210 -11.050 0.577
159 HE2 HIS 46 HE2 HIS 46 0.653 -10.467 -1.754
160 H LEU 47 H LEU 47 -3.603 -5.122 0.370
161 HA LEU 47 HA LEU 47 -5.535 -3.626 -1.224
162 1HB LEU 47 1HB LEU 47 -7.520 -4.451 -0.190
163 2HB LEU 47 2HB LEU 47 -6.690 -5.729 -1.046
164 HG LEU 47 HG LEU 47 -7.782 -6.463 0.988
165 1HD1 LEU 47 3HD2 LEU 47 -5.771 -7.655 0.125
166 2HD1 LEU 47 2HD2 LEU 47 -4.792 -6.789 1.343
167 3HD1 LEU 47 1HD2 LEU 47 -6.084 -7.885 1.855
168 1HD2 LEU 47 2HD1 LEU 47 -7.440 -4.422 2.389
169 2HD2 LEU 47 3HD1 LEU 47 -7.042 -5.947 3.206
170 3HD2 LEU 47 1HD1 LEU 47 -5.738 -4.923 2.588
171 H CYS 48 H CYS 48 -7.143 -2.436 0.402
172 HA CYS 48 HA CYS 48 -5.688 -1.422 2.717
173 1HB CYS 48 1HB CYS 48 -6.551 0.635 0.704
174 2HB CYS 48 2HB CYS 48 -5.231 0.733 1.853
175 H HIS 49 H HIS 49 -6.927 0.466 3.568
176 HA HIS 49 HA HIS 49 -9.874 0.126 3.310
177 1HB HIS 49 1HB HIS 49 -8.287 0.865 5.781
178 2HB HIS 49 2HB HIS 49 -10.010 0.482 5.676
179 HD2 HIS 49 HD2 HIS 49 -6.478 -1.374 5.415
180 HE1 HIS 49 HE1 HIS 49 -9.352 -4.048 6.960
181 HE2 HIS 49 HE2 HIS 49 -6.843 -3.685 6.484
182 H ASN 50 H ASN 50 -10.749 2.109 2.777
183 HA ASN 50 HA ASN 50 -8.975 4.512 2.651
184 1HB ASN 50 2HB ASN 50 -11.676 3.873 1.400
185 2HB ASN 50 1HB ASN 50 -10.876 5.443 1.249
186 1HD2 ASN 50 1HD2 ASN 50 -10.250 3.563 -1.733
187 2HD2 ASN 50 2HD2 ASN 50 -11.726 3.893 -0.841
188 H TYR 51 H TYR 51 -9.537 6.419 3.848
189 HA TYR 51 HA TYR 51 -11.934 6.539 5.430
190 1HB TYR 51 2HB TYR 51 -11.159 6.139 7.573
191 2HB TYR 51 1HB TYR 51 -10.473 4.795 6.685
192 HD1 TYR 51 HD2 TYR 51 -8.043 6.267 5.459
193 HD2 TYR 51 HD1 TYR 51 -9.709 6.271 9.430
194 HE1 TYR 51 HE2 TYR 51 -5.851 6.936 6.368
195 HE2 TYR 51 HE1 TYR 51 -7.521 6.961 10.335
196 HH TYR 51 HH TYR 51 -5.342 7.531 9.850
197 H VAL 52 H VAL 52 -11.531 8.415 7.237
198 HA VAL 52 HA VAL 52 -10.887 10.738 5.849
199 HB VAL 52 HB VAL 52 -12.345 10.497 7.858
200 1HG1 VAL 52 3HG1 VAL 52 -10.860 8.960 9.200
201 2HG1 VAL 52 2HG1 VAL 52 -9.774 10.332 9.497
202 3HG1 VAL 52 1HG1 VAL 52 -11.438 10.372 10.099
203 1HG2 VAL 52 2HG2 VAL 52 -11.486 12.667 7.144
204 2HG2 VAL 52 1HG2 VAL 52 -11.709 12.579 8.909
205 3HG2 VAL 52 3HG2 VAL 52 -10.071 12.466 8.213
206 H GLY 53 H GLY 53 -9.001 11.871 5.562
207 1HA GLY 53 1HA GLY 53 -6.754 12.459 5.994
208 2HA GLY 53 2HA GLY 53 -6.509 10.992 6.948
209 H GLY 54 H GLY 54 -7.988 9.366 4.730
210 1HA GLY 54 1HA GLY 54 -7.163 9.395 2.251
211 2HA GLY 54 2HA GLY 54 -5.591 9.063 2.962
212 H TYR 55 H TYR 55 -5.145 7.047 3.768
213 HA TYR 55 HA TYR 55 -7.140 4.961 3.968
214 1HB TYR 55 2HB TYR 55 -6.232 3.562 2.165
215 2HB TYR 55 1HB TYR 55 -6.890 5.054 1.530
216 HD1 TYR 55 HD1 TYR 55 -5.378 6.813 0.599
217 HD2 TYR 55 HD2 TYR 55 -3.835 3.097 2.122
218 HE1 TYR 55 HE1 TYR 55 -3.192 7.300 -0.446
219 HE2 TYR 55 HE2 TYR 55 -1.621 3.604 1.098
220 HH TYR 55 HH TYR 55 -0.965 6.672 -0.561
221 H PHE 56 H PHE 56 -6.158 2.894 4.577
222 HA PHE 56 HA PHE 56 -3.332 2.965 5.431
223 1HB PHE 56 2HB PHE 56 -3.837 1.941 7.570
224 2HB PHE 56 1HB PHE 56 -4.516 3.556 7.460
225 HD1 PHE 56 HD2 PHE 56 -6.983 3.884 7.249
226 HD2 PHE 56 HD1 PHE 56 -5.266 -0.030 7.823
227 HE1 PHE 56 HE2 PHE 56 -9.159 3.052 8.088
228 HE2 PHE 56 HE1 PHE 56 -7.436 -0.854 8.672
229 HZ PHE 56 HZ PHE 56 -9.378 0.692 8.858
230 H CYS 57 H CYS 57 -2.369 0.971 5.027
231 HA CYS 57 HA CYS 57 -3.921 -0.745 3.281
232 1HB CYS 57 1HB CYS 57 -0.966 -0.629 3.655
233 2HB CYS 57 2HB CYS 57 -1.860 -1.490 2.400
234 H SER 58 H SER 58 -3.310 -3.098 3.184
235 HA SER 58 HA SER 58 -2.562 -4.448 5.638
236 1HB SER 58 2HB SER 58 -5.462 -4.456 4.694
237 2HB SER 58 1HB SER 58 -4.818 -5.657 5.804
238 HG SER 58 HG SER 58 -4.285 -3.089 6.578
239 H CYS 59 H CYS 59 -3.238 -6.989 5.095
240 HA CYS 59 HA CYS 59 -2.497 -7.450 2.250
241 1HB CYS 59 2HB CYS 59 -1.307 -8.985 4.590
242 2HB CYS 59 1HB CYS 59 -0.952 -9.184 2.894
243 H ARG 60 H ARG 60 -2.828 -9.698 1.613
244 HA ARG 60 HA ARG 60 -5.498 -10.572 2.289
245 1HB ARG 60 2HB ARG 60 -3.230 -11.839 0.700
246 2HB ARG 60 1HB ARG 60 -4.876 -12.488 0.733
247 1HG ARG 60 2HG ARG 60 -5.789 -10.588 -0.391
248 2HG ARG 60 1HG ARG 60 -4.375 -9.600 -0.040
249 1HD ARG 60 2HD ARG 60 -3.006 -11.145 -1.502
250 2HD ARG 60 1HD ARG 60 -4.554 -11.815 -2.077
251 HE ARG 60 HE ARG 60 -4.712 -8.996 -2.244
252 1HH1 ARG 60 1HH2 ARG 60 -2.882 -11.624 -3.711
253 2HH1 ARG 60 2HH2 ARG 60 -2.563 -10.770 -5.200
254 1HH2 ARG 60 1HH1 ARG 60 -4.192 -7.798 -4.138
255 2HH2 ARG 60 2HH1 ARG 60 -3.252 -8.533 -5.410
256 HA PRO 61 HA PRO 61 -4.518 -13.144 5.736
257 1HB PRO 61 1HB PRO 61 -5.812 -15.525 4.526
258 2HB PRO 61 2HB PRO 61 -6.160 -14.761 6.094
259 1HG PRO 61 2HG PRO 61 -7.886 -14.407 3.993
260 2HG PRO 61 1HG PRO 61 -7.503 -13.077 5.122
261 1HD PRO 61 2HD PRO 61 -6.370 -13.552 2.365
262 2HD PRO 61 1HD PRO 61 -6.924 -12.030 3.126
263 H GLY 62 H GLY 62 -2.994 -14.691 6.366
264 1HA GLY 62 2HA GLY 62 -1.201 -16.139 6.172
265 2HA GLY 62 1HA GLY 62 -1.660 -16.483 4.501
266 H TYR 63 H TYR 63 -1.266 -13.055 5.162
267 HA TYR 63 HA TYR 63 1.566 -13.078 4.539
268 1HB TYR 63 2HB TYR 63 -0.410 -11.382 2.965
269 2HB TYR 63 1HB TYR 63 1.325 -11.381 2.792
270 HD1 TYR 63 HD1 TYR 63 -1.769 -13.314 2.196
271 HD2 TYR 63 HD2 TYR 63 2.400 -12.899 1.264
272 HE1 TYR 63 HE1 TYR 63 -2.055 -14.832 0.278
273 HE2 TYR 63 HE2 TYR 63 2.142 -14.456 -0.627
274 HH TYR 63 HH TYR 63 -1.003 -15.938 -1.459
275 H GLU 64 H GLU 64 2.556 -10.944 4.948
276 HA GLU 64 HA GLU 64 1.076 -9.265 6.878
277 1HB GLU 64 1HB GLU 64 2.400 -11.052 8.091
278 2HB GLU 64 2HB GLU 64 3.854 -10.472 7.268
279 1HG GLU 64 1HG GLU 64 3.663 -9.682 9.610
280 2HG GLU 64 2HG GLU 64 3.788 -8.366 8.452
281 H LEU 65 H LEU 65 1.995 -7.163 7.105
282 HA LEU 65 HA LEU 65 3.270 -6.223 4.645
283 1HB LEU 65 1HB LEU 65 2.228 -4.863 7.192
284 2HB LEU 65 2HB LEU 65 3.190 -3.966 6.026
285 HG LEU 65 HG LEU 65 0.491 -5.194 5.418
286 1HD1 LEU 65 1HD2 LEU 65 1.373 -2.327 5.919
287 2HD1 LEU 65 2HD2 LEU 65 -0.247 -2.836 5.401
288 3HD1 LEU 65 3HD2 LEU 65 0.371 -3.322 6.995
289 1HD2 LEU 65 1HD1 LEU 65 2.280 -3.287 3.816
290 2HD2 LEU 65 2HD1 LEU 65 2.002 -4.968 3.383
291 3HD2 LEU 65 3HD1 LEU 65 0.658 -3.820 3.337
292 H GLN 66 H GLN 66 5.228 -5.325 4.454
293 HA GLN 66 HA GLN 66 7.191 -5.980 6.591
294 1HB GLN 66 2HB GLN 66 7.662 -4.959 3.759
295 2HB GLN 66 1HB GLN 66 8.853 -5.675 4.865
296 1HG GLN 66 2HG GLN 66 6.501 -7.070 3.520
297 2HG GLN 66 1HG GLN 66 8.223 -7.385 3.319
298 1HE2 GLN 66 2HE2 GLN 66 6.240 -9.460 6.138
299 2HE2 GLN 66 1HE2 GLN 66 5.372 -8.463 5.001
300 H GLU 67 H GLU 67 9.094 -4.240 6.539
301 HA GLU 67 HA GLU 67 8.167 -2.215 8.162
302 1HB GLU 67 2HB GLU 67 10.777 -2.301 6.586
303 2HB GLU 67 1HB GLU 67 10.440 -1.230 7.954
304 1HG GLU 67 1HG GLU 67 10.059 -3.213 9.418
305 2HG GLU 67 2HG GLU 67 10.503 -4.284 8.080
306 H ASP 68 H ASP 68 8.184 -2.082 4.731
307 HA ASP 68 HA ASP 68 8.163 0.853 4.581
308 1HB ASP 68 1HB ASP 68 7.835 0.625 2.249
309 2HB ASP 68 2HB ASP 68 9.089 -0.524 2.728
310 H ARG 69 H ARG 69 5.893 -1.561 5.417
311 HA ARG 69 HA ARG 69 3.722 -1.666 5.716
312 1HB ARG 69 1HB ARG 69 4.144 1.330 6.003
313 2HB ARG 69 2HB ARG 69 2.519 0.659 5.985
314 1HG ARG 69 1HG ARG 69 3.120 0.755 8.253
315 2HG ARG 69 2HG ARG 69 3.095 -0.945 7.722
316 1HD ARG 69 2HD ARG 69 5.549 -0.985 7.658
317 2HD ARG 69 1HD ARG 69 5.614 0.776 7.904
318 HE ARG 69 HE ARG 69 4.243 -0.591 10.050
319 1HH1 ARG 69 2HH1 ARG 69 7.472 0.140 8.774
320 2HH1 ARG 69 1HH1 ARG 69 8.253 0.046 10.328
321 1HH2 ARG 69 1HH2 ARG 69 5.269 -0.742 12.079
322 2HH2 ARG 69 2HH2 ARG 69 6.986 -0.485 12.234
323 H HIS 70 H HIS 70 4.780 -1.551 3.000
324 HA HIS 70 HA HIS 70 2.179 -1.005 1.649
325 1HB HIS 70 1HB HIS 70 4.942 -0.544 0.432
326 2HB HIS 70 2HB HIS 70 3.380 -0.210 -0.292
327 HD2 HIS 70 HD2 HIS 70 2.046 1.646 2.049
328 HE1 HIS 70 HE1 HIS 70 5.523 3.993 1.502
329 HE2 HIS 70 HE2 HIS 70 3.165 3.977 2.478
330 H SER 71 H SER 71 5.226 -2.763 1.706
331 HA SER 71 HA SER 71 4.399 -4.620 -0.433
332 1HB SER 71 1HB SER 71 6.928 -4.469 1.239
333 2HB SER 71 2HB SER 71 6.596 -5.660 -0.031
334 HG SER 71 HG SER 71 6.648 -2.823 -0.380
335 H CYS 72 H CYS 72 3.691 -6.663 -0.105
336 HA CYS 72 HA CYS 72 3.272 -7.627 2.692
337 1HB CYS 72 2HB CYS 72 1.606 -8.248 0.218
338 2HB CYS 72 1HB CYS 72 1.424 -8.962 1.801
339 H GLN 73 H GLN 73 3.959 -9.721 3.142
340 HA GLN 73 HA GLN 73 4.455 -11.578 0.925
341 1HB GLN 73 1HB GLN 73 6.755 -12.212 1.817
342 2HB GLN 73 2HB GLN 73 6.643 -10.747 0.857
343 1HG GLN 73 1HG GLN 73 6.704 -9.368 2.832
344 2HG GLN 73 2HG GLN 73 6.571 -10.779 3.903
345 1HE2 GLN 73 1HE2 GLN 73 10.049 -11.390 3.930
346 2HE2 GLN 73 2HE2 GLN 73 8.455 -11.789 4.572
347 H ALA 74 H ALA 74 5.186 -13.705 1.863
348 HA ALA 74 HA ALA 74 3.175 -14.436 3.870
349 1HB ALA 74 1HB ALA 74 3.500 -15.811 1.934
350 2HB ALA 74 3HB ALA 74 5.203 -16.103 2.385
351 3HB ALA 74 2HB ALA 74 3.878 -16.701 3.427
352 H GLU 75 H GLU 75 4.115 -13.000 5.314
353 HA GLU 75 HA GLU 75 4.785 -12.763 7.511
354 1HB GLU 75 2HB GLU 75 6.989 -14.811 7.034
355 2HB GLU 75 1HB GLU 75 6.620 -13.967 8.531
356 1HG GLU 75 2HG GLU 75 4.777 -15.975 7.148
357 2HG GLU 75 1HG GLU 75 5.723 -16.244 8.609
No H/Q in entry = 357
Start of MODEL 11
1 1H ALA 23 3H ALA 23 -10.616 8.244 2.042
2 2H ALA 23 1H ALA 23 -9.347 8.971 1.323
3 3H ALA 23 2H ALA 23 -9.260 8.495 2.908
4 HA ALA 23 HA ALA 23 -10.904 10.105 3.546
5 1HB ALA 23 1HB ALA 23 -8.488 10.751 3.503
6 2HB ALA 23 2HB ALA 23 -8.711 11.416 1.875
7 3HB ALA 23 3HB ALA 23 -9.562 12.127 3.271
8 H VAL 24 H VAL 24 -10.982 12.676 1.964
9 HA VAL 24 HA VAL 24 -13.469 12.302 0.739
10 HB VAL 24 HB VAL 24 -13.155 14.564 -0.162
11 1HG1 VAL 24 3HG2 VAL 24 -13.864 14.215 2.185
12 2HG1 VAL 24 1HG2 VAL 24 -12.170 14.314 2.714
13 3HG1 VAL 24 2HG2 VAL 24 -12.954 15.719 1.970
14 1HG2 VAL 24 1HG1 VAL 24 -10.301 14.402 0.923
15 2HG2 VAL 24 3HG1 VAL 24 -10.771 14.522 -0.787
16 3HG2 VAL 24 2HG1 VAL 24 -11.114 15.854 0.319
17 H ASP 25 H ASP 25 -10.250 11.919 -0.660
18 HA ASP 25 HA ASP 25 -11.172 12.001 -3.403
19 1HB ASP 25 2HB ASP 25 -8.904 12.679 -2.771
20 2HB ASP 25 1HB ASP 25 -8.549 11.039 -2.207
21 H LEU 26 H LEU 26 -12.955 10.429 -2.566
22 HA LEU 26 HA LEU 26 -13.957 8.383 -2.575
23 1HB LEU 26 2HB LEU 26 -12.218 8.039 -5.059
24 2HB LEU 26 1HB LEU 26 -13.827 7.342 -4.759
25 HG LEU 26 HG LEU 26 -13.169 10.281 -5.212
26 1HD1 LEU 26 1HD2 LEU 26 -13.159 8.844 -7.224
27 2HD1 LEU 26 2HD2 LEU 26 -14.790 8.264 -6.822
28 3HD1 LEU 26 3HD2 LEU 26 -14.526 9.973 -7.229
29 1HD2 LEU 26 3HD1 LEU 26 -15.771 8.877 -4.475
30 2HD2 LEU 26 1HD1 LEU 26 -14.954 10.168 -3.564
31 3HD2 LEU 26 2HD1 LEU 26 -15.676 10.532 -5.134
32 H ASP 27 H ASP 27 -12.435 6.122 -4.099
33 HA ASP 27 HA ASP 27 -11.089 4.974 -1.693
34 1HB ASP 27 1HB ASP 27 -12.459 3.652 -4.058
35 2HB ASP 27 2HB ASP 27 -11.438 2.805 -2.887
36 H GLU 28 H GLU 28 -9.486 6.581 -2.321
37 HA GLU 28 HA GLU 28 -7.707 6.649 -4.344
38 1HB GLU 28 1HB GLU 28 -6.800 6.168 -1.458
39 2HB GLU 28 2HB GLU 28 -5.879 6.904 -2.765
40 1HG GLU 28 1HG GLU 28 -6.519 8.770 -1.629
41 2HG GLU 28 2HG GLU 28 -7.794 8.680 -2.840
42 H CYS 29 H CYS 29 -7.974 4.006 -2.048
43 HA CYS 29 HA CYS 29 -5.847 2.325 -2.523
44 1HB CYS 29 1HB CYS 29 -7.608 1.986 -0.823
45 2HB CYS 29 2HB CYS 29 -8.782 1.647 -2.088
46 H ALA 30 H ALA 30 -8.746 2.700 -4.587
47 HA ALA 30 HA ALA 30 -8.364 0.374 -6.195
48 1HB ALA 30 2HB ALA 30 -10.447 1.695 -6.123
49 2HB ALA 30 3HB ALA 30 -9.617 3.075 -6.871
50 3HB ALA 30 1HB ALA 30 -9.830 1.565 -7.785
51 H SER 31 H SER 31 -7.301 3.790 -6.622
52 HA SER 31 HA SER 31 -5.803 3.250 -9.032
53 1HB SER 31 1HB SER 31 -5.015 5.722 -8.228
54 2HB SER 31 2HB SER 31 -6.537 5.393 -9.066
55 HG SER 31 HG SER 31 -6.289 5.493 -6.229
56 H ARG 32 H ARG 32 -5.001 3.905 -5.662
57 HA ARG 32 HA ARG 32 -3.204 4.069 -4.437
58 1HB ARG 32 1HB ARG 32 -2.008 2.067 -4.037
59 2HB ARG 32 2HB ARG 32 -3.719 1.767 -4.268
60 1HG ARG 32 2HG ARG 32 -3.102 0.976 -6.639
61 2HG ARG 32 1HG ARG 32 -1.400 1.088 -6.138
62 1HD ARG 32 2HD ARG 32 -2.147 -1.203 -5.825
63 2HD ARG 32 1HD ARG 32 -1.923 -0.460 -4.229
64 HE ARG 32 HE ARG 32 -4.584 0.009 -4.963
65 1HH1 ARG 32 2HH1 ARG 32 -2.655 -2.827 -4.034
66 2HH1 ARG 32 1HH1 ARG 32 -4.058 -3.830 -3.754
67 1HH2 ARG 32 2HH2 ARG 32 -6.286 -1.100 -4.326
68 2HH2 ARG 32 1HH2 ARG 32 -6.209 -2.800 -3.868
69 H SER 33 H SER 33 -1.800 2.843 -7.472
70 HA SER 33 HA SER 33 -0.165 5.120 -7.941
71 1HB SER 33 2HB SER 33 2.075 3.972 -7.545
72 2HB SER 33 1HB SER 33 1.213 4.455 -6.084
73 HG SER 33 HG SER 33 2.102 2.189 -6.344
74 H LYS 34 H LYS 34 -2.013 3.186 -9.303
75 HA LYS 34 HA LYS 34 -0.381 1.603 -11.120
76 1HB LYS 34 2HB LYS 34 -3.313 2.403 -11.117
77 2HB LYS 34 1HB LYS 34 -2.573 1.289 -12.280
78 1HG LYS 34 2HG LYS 34 -1.975 -0.277 -10.515
79 2HG LYS 34 1HG LYS 34 -2.574 0.827 -9.267
80 1HD LYS 34 2HD LYS 34 -4.865 0.696 -10.226
81 2HD LYS 34 1HD LYS 34 -4.267 -0.370 -11.507
82 1HE LYS 34 1HE LYS 34 -5.362 -1.715 -9.829
83 2HE LYS 34 2HE LYS 34 -3.625 -2.060 -9.761
84 1HZ LYS 34 2HZ LYS 34 -5.097 -0.239 -7.976
85 2HZ LYS 34 1HZ LYS 34 -4.616 -1.767 -7.592
86 3HZ LYS 34 3HZ LYS 34 -3.490 -0.601 -7.872
87 H SER 35 H SER 35 1.017 3.695 -11.495
88 HA SER 35 HA SER 35 -0.025 5.724 -13.278
89 1HB SER 35 1HB SER 35 2.441 6.350 -13.253
90 2HB SER 35 2HB SER 35 1.637 6.257 -11.679
91 HG SER 35 HG SER 35 3.803 5.034 -12.137
92 H GLY 36 H GLY 36 -0.673 3.417 -14.504
93 1HA GLY 36 1HA GLY 36 -0.531 2.212 -16.462
94 2HA GLY 36 2HA GLY 36 0.385 3.578 -17.121
95 H GLU 37 H GLU 37 2.612 3.448 -17.217
96 HA GLU 37 HA GLU 37 3.974 0.925 -16.365
97 1HB GLU 37 2HB GLU 37 5.308 1.025 -18.360
98 2HB GLU 37 1HB GLU 37 3.601 0.916 -18.791
99 1HG GLU 37 1HG GLU 37 5.231 3.513 -18.822
100 2HG GLU 37 2HG GLU 37 4.963 2.471 -20.216
101 H GLU 38 H GLU 38 3.770 4.221 -15.767
102 HA GLU 38 HA GLU 38 6.626 4.836 -15.697
103 1HB GLU 38 1HB GLU 38 4.227 6.355 -14.627
104 2HB GLU 38 2HB GLU 38 5.879 6.965 -14.770
105 1HG GLU 38 1HG GLU 38 5.758 6.638 -17.250
106 2HG GLU 38 2HG GLU 38 4.076 6.101 -17.084
107 H ASP 39 H ASP 39 6.914 2.798 -14.402
108 HA ASP 39 HA ASP 39 7.573 1.763 -12.484
109 1HB ASP 39 2HB ASP 39 9.085 3.720 -12.463
110 2HB ASP 39 1HB ASP 39 7.910 4.621 -11.492
111 HA PRO 40 HA PRO 40 3.439 2.636 -10.455
112 1HB PRO 40 1HB PRO 40 1.865 0.652 -11.404
113 2HB PRO 40 2HB PRO 40 2.334 2.025 -12.447
114 1HG PRO 40 1HG PRO 40 3.740 -0.665 -12.293
115 2HG PRO 40 2HG PRO 40 3.037 0.107 -13.745
116 1HD PRO 40 1HD PRO 40 5.658 0.463 -13.140
117 2HD PRO 40 2HD PRO 40 4.647 1.817 -13.733
118 H GLN 41 H GLN 41 5.381 1.884 -8.890
119 HA GLN 41 HA GLN 41 5.365 -0.845 -7.959
120 1HB GLN 41 1HB GLN 41 6.265 1.702 -6.573
121 2HB GLN 41 2HB GLN 41 6.525 0.048 -5.984
122 1HG GLN 41 1HG GLN 41 7.749 -0.484 -8.106
123 2HG GLN 41 2HG GLN 41 7.515 1.194 -8.625
124 1HE2 GLN 41 1HE2 GLN 41 10.782 1.640 -7.294
125 2HE2 GLN 41 2HE2 GLN 41 9.837 1.441 -8.767
126 HA PRO 42 HA PRO 42 1.165 -0.477 -6.331
127 1HB PRO 42 1HB PRO 42 2.141 -2.890 -4.789
128 2HB PRO 42 2HB PRO 42 0.520 -2.614 -5.503
129 1HG PRO 42 2HG PRO 42 2.322 -4.103 -6.846
130 2HG PRO 42 1HG PRO 42 1.473 -2.800 -7.737
131 1HD PRO 42 2HD PRO 42 4.244 -2.712 -6.504
132 2HD PRO 42 1HD PRO 42 3.705 -2.222 -8.132
133 H GLN 43 H GLN 43 1.003 1.331 -5.032
134 HA GLN 43 HA GLN 43 2.270 1.509 -2.414
135 1HB GLN 43 2HB GLN 43 1.920 3.422 -3.964
136 2HB GLN 43 1HB GLN 43 0.167 3.270 -3.740
137 1HG GLN 43 2HG GLN 43 0.473 3.769 -1.301
138 2HG GLN 43 1HG GLN 43 2.220 3.735 -1.548
139 1HE2 GLN 43 1HE2 GLN 43 0.507 6.959 -3.419
140 2HE2 GLN 43 2HE2 GLN 43 -0.153 5.382 -3.781
141 H CYS 44 H CYS 44 1.288 -0.635 -2.054
142 HA CYS 44 HA CYS 44 -0.007 -1.499 -0.111
143 1HB CYS 44 2HB CYS 44 -2.368 -0.410 -1.729
144 2HB CYS 44 1HB CYS 44 -2.468 -1.653 -0.498
145 H GLN 45 H GLN 45 1.097 -3.278 -0.968
146 HA GLN 45 HA GLN 45 0.952 -4.250 -3.492
147 1HB GLN 45 1HB GLN 45 2.324 -4.886 -1.320
148 2HB GLN 45 2HB GLN 45 1.166 -6.203 -1.194
149 1HG GLN 45 2HG GLN 45 2.739 -5.544 -3.710
150 2HG GLN 45 1HG GLN 45 3.403 -6.569 -2.442
151 1HE2 GLN 45 1HE2 GLN 45 0.636 -8.342 -4.706
152 2HE2 GLN 45 2HE2 GLN 45 0.453 -6.601 -4.577
153 H HIS 46 H HIS 46 -1.107 -5.363 -0.788
154 HA HIS 46 HA HIS 46 -2.604 -7.099 -2.652
155 1HB HIS 46 2HB HIS 46 -2.378 -6.837 0.323
156 2HB HIS 46 1HB HIS 46 -3.670 -7.815 -0.397
157 HD2 HIS 46 HD2 HIS 46 -0.191 -8.128 -2.055
158 HE1 HIS 46 HE1 HIS 46 -0.767 -11.470 0.459
159 HE2 HIS 46 HE2 HIS 46 0.769 -10.453 -1.322
160 H LEU 47 H LEU 47 -3.843 -5.413 0.253
161 HA LEU 47 HA LEU 47 -5.862 -3.989 -1.370
162 1HB LEU 47 1HB LEU 47 -7.692 -4.902 0.063
163 2HB LEU 47 2HB LEU 47 -6.934 -6.047 -1.031
164 HG LEU 47 HG LEU 47 -5.629 -7.026 0.856
165 1HD1 LEU 47 1HD1 LEU 47 -7.352 -5.163 2.557
166 2HD1 LEU 47 2HD1 LEU 47 -6.433 -6.552 3.176
167 3HD1 LEU 47 3HD1 LEU 47 -5.576 -5.188 2.462
168 1HD2 LEU 47 3HD2 LEU 47 -7.750 -7.999 0.080
169 2HD2 LEU 47 2HD2 LEU 47 -7.555 -8.203 1.829
170 3HD2 LEU 47 1HD2 LEU 47 -8.651 -6.954 1.201
171 H CYS 48 H CYS 48 -7.412 -2.818 0.466
172 HA CYS 48 HA CYS 48 -5.621 -1.624 2.490
173 1HB CYS 48 1HB CYS 48 -7.102 0.394 0.860
174 2HB CYS 48 2HB CYS 48 -5.483 0.428 1.516
175 H HIS 49 H HIS 49 -6.922 0.344 3.315
176 HA HIS 49 HA HIS 49 -9.814 -0.152 3.700
177 1HB HIS 49 2HB HIS 49 -7.795 0.756 5.737
178 2HB HIS 49 1HB HIS 49 -9.491 0.433 6.058
179 HD2 HIS 49 HD2 HIS 49 -6.178 -1.622 5.177
180 HE1 HIS 49 HE1 HIS 49 -8.741 -3.939 7.648
181 HE2 HIS 49 HE2 HIS 49 -6.419 -3.810 6.601
182 H ASN 50 H ASN 50 -10.730 1.986 4.400
183 HA ASN 50 HA ASN 50 -9.199 4.292 3.267
184 1HB ASN 50 2HB ASN 50 -11.290 3.280 1.993
185 2HB ASN 50 1HB ASN 50 -12.215 4.255 3.158
186 1HD2 ASN 50 1HD2 ASN 50 -11.552 6.121 0.111
187 2HD2 ASN 50 2HD2 ASN 50 -12.117 4.491 0.354
188 H TYR 51 H TYR 51 -9.699 6.333 4.241
189 HA TYR 51 HA TYR 51 -11.185 6.800 6.539
190 1HB TYR 51 2HB TYR 51 -9.717 6.708 8.376
191 2HB TYR 51 1HB TYR 51 -9.666 5.127 7.670
192 HD1 TYR 51 HD1 TYR 51 -7.543 6.466 5.377
193 HD2 TYR 51 HD2 TYR 51 -7.762 5.970 9.663
194 HE1 TYR 51 HE1 TYR 51 -5.091 6.619 5.532
195 HE2 TYR 51 HE2 TYR 51 -5.304 6.092 9.792
196 HH TYR 51 HH TYR 51 -3.333 6.298 8.608
197 H VAL 52 H VAL 52 -9.770 8.718 7.910
198 HA VAL 52 HA VAL 52 -9.510 10.835 6.036
199 HB VAL 52 HB VAL 52 -10.384 10.933 8.415
200 1HG1 VAL 52 2HG1 VAL 52 -8.739 9.408 9.512
201 2HG1 VAL 52 3HG1 VAL 52 -7.461 10.607 9.245
202 3HG1 VAL 52 1HG1 VAL 52 -8.823 10.980 10.313
203 1HG2 VAL 52 1HG2 VAL 52 -9.562 12.952 7.243
204 2HG2 VAL 52 3HG2 VAL 52 -9.455 13.024 9.020
205 3HG2 VAL 52 2HG2 VAL 52 -7.986 12.739 8.062
206 H GLY 53 H GLY 53 -7.607 12.263 5.859
207 1HA GLY 53 1HA GLY 53 -5.363 12.591 5.457
208 2HA GLY 53 2HA GLY 53 -4.979 11.078 6.287
209 H GLY 54 H GLY 54 -6.633 9.305 4.712
210 1HA GLY 54 2HA GLY 54 -6.359 9.498 1.925
211 2HA GLY 54 1HA GLY 54 -4.813 8.866 2.496
212 H TYR 55 H TYR 55 -4.663 6.727 2.966
213 HA TYR 55 HA TYR 55 -6.913 5.031 3.613
214 1HB TYR 55 1HB TYR 55 -6.780 3.624 1.674
215 2HB TYR 55 2HB TYR 55 -7.171 5.237 1.173
216 HD1 TYR 55 HD2 TYR 55 -4.852 6.673 0.433
217 HD2 TYR 55 HD1 TYR 55 -5.371 2.400 0.386
218 HE1 TYR 55 HE2 TYR 55 -2.928 6.446 -1.107
219 HE2 TYR 55 HE1 TYR 55 -3.553 2.203 -1.279
220 HH TYR 55 HH TYR 55 -1.674 3.250 -2.089
221 H PHE 56 H PHE 56 -6.063 2.796 4.113
222 HA PHE 56 HA PHE 56 -3.124 2.745 4.528
223 1HB PHE 56 2HB PHE 56 -3.307 1.931 6.763
224 2HB PHE 56 1HB PHE 56 -3.992 3.541 6.626
225 HD1 PHE 56 HD2 PHE 56 -6.533 3.797 6.533
226 HD2 PHE 56 HD1 PHE 56 -4.649 0.052 7.511
227 HE1 PHE 56 HE2 PHE 56 -8.588 3.076 7.693
228 HE2 PHE 56 HE1 PHE 56 -6.705 -0.671 8.666
229 HZ PHE 56 HZ PHE 56 -8.639 0.882 8.889
230 H CYS 57 H CYS 57 -2.179 0.807 4.337
231 HA CYS 57 HA CYS 57 -3.647 -1.094 2.766
232 1HB CYS 57 1HB CYS 57 -0.808 -1.249 3.806
233 2HB CYS 57 2HB CYS 57 -1.441 -2.062 2.363
234 H SER 58 H SER 58 -3.238 -3.423 2.936
235 HA SER 58 HA SER 58 -2.506 -4.715 5.376
236 1HB SER 58 2HB SER 58 -5.448 -4.496 4.695
237 2HB SER 58 1HB SER 58 -4.834 -5.873 5.600
238 HG SER 58 HG SER 58 -4.140 -3.295 6.449
239 H CYS 59 H CYS 59 -3.382 -7.213 4.942
240 HA CYS 59 HA CYS 59 -2.817 -7.816 2.102
241 1HB CYS 59 2HB CYS 59 -1.443 -9.244 4.409
242 2HB CYS 59 1HB CYS 59 -1.126 -9.455 2.697
243 H ARG 60 H ARG 60 -3.144 -10.103 1.624
244 HA ARG 60 HA ARG 60 -5.642 -11.063 2.850
245 1HB ARG 60 2HB ARG 60 -3.979 -12.165 0.535
246 2HB ARG 60 1HB ARG 60 -5.630 -12.653 0.967
247 1HG ARG 60 2HG ARG 60 -6.353 -10.247 0.668
248 2HG ARG 60 1HG ARG 60 -4.742 -9.892 0.036
249 1HD ARG 60 2HD ARG 60 -5.153 -11.615 -1.781
250 2HD ARG 60 1HD ARG 60 -6.801 -11.758 -1.173
251 HE ARG 60 HE ARG 60 -7.360 -9.684 -2.003
252 1HH1 ARG 60 1HH1 ARG 60 -3.862 -10.118 -2.292
253 2HH1 ARG 60 2HH1 ARG 60 -3.636 -8.695 -3.270
254 1HH2 ARG 60 2HH2 ARG 60 -7.021 -7.686 -3.047
255 2HH2 ARG 60 1HH2 ARG 60 -5.414 -7.124 -3.411
256 HA PRO 61 HA PRO 61 -3.934 -13.963 5.583
257 1HB PRO 61 2HB PRO 61 -4.948 -16.350 4.071
258 2HB PRO 61 1HB PRO 61 -5.134 -15.976 5.806
259 1HG PRO 61 1HG PRO 61 -7.225 -15.538 4.130
260 2HG PRO 61 2HG PRO 61 -6.797 -14.307 5.356
261 1HD PRO 61 1HD PRO 61 -6.065 -14.346 2.424
262 2HD PRO 61 2HD PRO 61 -6.722 -12.994 3.397
263 H GLY 62 H GLY 62 -2.267 -15.520 6.013
264 1HA GLY 62 2HA GLY 62 -0.246 -16.539 5.689
265 2HA GLY 62 1HA GLY 62 -0.709 -16.842 4.006
266 H TYR 63 H TYR 63 -0.725 -13.508 5.155
267 HA TYR 63 HA TYR 63 1.961 -12.970 4.288
268 1HB TYR 63 1HB TYR 63 -0.504 -11.923 2.861
269 2HB TYR 63 2HB TYR 63 0.942 -10.938 2.968
270 HD1 TYR 63 HD1 TYR 63 -0.258 -14.277 1.722
271 HD2 TYR 63 HD2 TYR 63 2.545 -11.037 1.300
272 HE1 TYR 63 HE1 TYR 63 0.587 -15.271 -0.384
273 HE2 TYR 63 HE2 TYR 63 3.368 -12.008 -0.807
274 HH TYR 63 HH TYR 63 3.180 -13.746 -2.316
275 H GLU 64 H GLU 64 2.714 -10.986 5.041
276 HA GLU 64 HA GLU 64 1.091 -9.663 7.165
277 1HB GLU 64 1HB GLU 64 2.763 -11.114 8.173
278 2HB GLU 64 2HB GLU 64 4.035 -10.405 7.155
279 1HG GLU 64 1HG GLU 64 3.716 -8.214 8.290
280 2HG GLU 64 2HG GLU 64 2.415 -8.915 9.270
281 H LEU 65 H LEU 65 1.149 -7.509 7.143
282 HA LEU 65 HA LEU 65 2.134 -6.133 4.783
283 1HB LEU 65 1HB LEU 65 -0.130 -5.860 5.945
284 2HB LEU 65 2HB LEU 65 0.692 -5.131 7.312
285 HG LEU 65 HG LEU 65 -0.490 -3.598 5.743
286 1HD1 LEU 65 3HD2 LEU 65 1.398 -2.876 7.259
287 2HD1 LEU 65 1HD2 LEU 65 2.446 -2.940 5.821
288 3HD1 LEU 65 2HD2 LEU 65 1.042 -1.847 5.864
289 1HD2 LEU 65 1HD1 LEU 65 0.155 -4.783 3.624
290 2HD2 LEU 65 2HD1 LEU 65 0.395 -3.059 3.570
291 3HD2 LEU 65 3HD1 LEU 65 1.793 -4.102 3.788
292 H GLN 66 H GLN 66 4.129 -5.185 4.694
293 HA GLN 66 HA GLN 66 5.881 -5.525 6.995
294 1HB GLN 66 1HB GLN 66 6.364 -4.265 4.291
295 2HB GLN 66 2HB GLN 66 7.623 -4.789 5.418
296 1HG GLN 66 2HG GLN 66 5.652 -6.588 3.919
297 2HG GLN 66 1HG GLN 66 7.375 -6.363 3.628
298 1HE2 GLN 66 1HE2 GLN 66 6.191 -9.032 6.464
299 2HE2 GLN 66 2HE2 GLN 66 4.992 -8.092 5.578
300 H GLU 67 H GLU 67 7.436 -3.828 7.632
301 HA GLU 67 HA GLU 67 6.146 -1.647 8.836
302 1HB GLU 67 1HB GLU 67 9.116 -2.144 8.324
303 2HB GLU 67 2HB GLU 67 8.460 -0.877 9.358
304 1HG GLU 67 1HG GLU 67 9.087 -2.628 10.811
305 2HG GLU 67 2HG GLU 67 7.322 -2.600 10.770
306 H ASP 68 H ASP 68 7.091 -1.810 5.590
307 HA ASP 68 HA ASP 68 7.604 1.105 5.282
308 1HB ASP 68 1HB ASP 68 8.073 0.626 2.966
309 2HB ASP 68 2HB ASP 68 9.027 -0.458 3.987
310 H ARG 69 H ARG 69 4.992 -0.946 5.658
311 HA ARG 69 HA ARG 69 2.880 -0.605 5.592
312 1HB ARG 69 1HB ARG 69 3.670 1.985 5.555
313 2HB ARG 69 2HB ARG 69 2.825 1.926 3.998
314 1HG ARG 69 1HG ARG 69 0.933 0.683 5.358
315 2HG ARG 69 2HG ARG 69 1.875 1.205 6.767
316 1HD ARG 69 2HD ARG 69 0.099 2.812 6.380
317 2HD ARG 69 1HD ARG 69 1.587 3.616 5.831
318 HE ARG 69 HE ARG 69 0.656 2.347 3.567
319 1HH1 ARG 69 2HH2 ARG 69 -0.809 4.719 5.787
320 2HH1 ARG 69 1HH2 ARG 69 -2.115 5.082 4.669
321 1HH2 ARG 69 1HH1 ARG 69 -1.004 3.006 2.095
322 2HH2 ARG 69 2HH1 ARG 69 -2.181 4.194 2.630
323 H HIS 70 H HIS 70 4.477 0.079 2.491
324 HA HIS 70 HA HIS 70 2.053 -0.494 0.988
325 1HB HIS 70 1HB HIS 70 4.900 -0.110 0.023
326 2HB HIS 70 2HB HIS 70 3.437 -0.082 -0.966
327 HD2 HIS 70 HD2 HIS 70 1.852 1.897 1.427
328 HE1 HIS 70 HE1 HIS 70 4.809 4.631 0.132
329 HE2 HIS 70 HE2 HIS 70 2.619 4.404 1.418
330 H SER 71 H SER 71 5.159 -2.237 1.516
331 HA SER 71 HA SER 71 4.308 -4.321 -0.313
332 1HB SER 71 2HB SER 71 6.371 -5.327 -0.050
333 2HB SER 71 1HB SER 71 6.685 -3.585 -0.026
334 HG SER 71 HG SER 71 7.037 -3.737 2.186
335 H CYS 72 H CYS 72 3.776 -6.428 0.039
336 HA CYS 72 HA CYS 72 2.977 -7.327 2.785
337 1HB CYS 72 2HB CYS 72 1.786 -7.917 0.048
338 2HB CYS 72 1HB CYS 72 1.491 -8.897 1.476
339 H GLN 73 H GLN 73 4.196 -9.116 3.408
340 HA GLN 73 HA GLN 73 5.438 -10.740 1.195
341 1HB GLN 73 1HB GLN 73 6.835 -10.293 3.828
342 2HB GLN 73 2HB GLN 73 7.371 -11.258 2.466
343 1HG GLN 73 2HG GLN 73 7.326 -9.212 0.999
344 2HG GLN 73 1HG GLN 73 7.119 -8.233 2.446
345 1HE2 GLN 73 2HE2 GLN 73 10.530 -8.973 3.587
346 2HE2 GLN 73 1HE2 GLN 73 8.938 -8.676 4.249
347 H ALA 74 H ALA 74 5.958 -12.919 1.959
348 HA ALA 74 HA ALA 74 3.419 -14.023 2.953
349 1HB ALA 74 1HB ALA 74 4.393 -14.954 0.934
350 2HB ALA 74 3HB ALA 74 5.866 -15.411 1.824
351 3HB ALA 74 2HB ALA 74 4.306 -16.169 2.224
352 H GLU 75 H GLU 75 3.116 -14.495 5.126
353 HA GLU 75 HA GLU 75 5.174 -15.618 6.776
354 1HB GLU 75 1HB GLU 75 3.980 -12.889 7.433
355 2HB GLU 75 2HB GLU 75 4.980 -13.873 8.506
356 1HG GLU 75 1HG GLU 75 6.882 -13.639 6.859
357 2HG GLU 75 2HG GLU 75 5.875 -12.526 5.912
No H/Q in entry = 357
Start of MODEL 12
1 1H ALA 23 2H ALA 23 -14.377 9.735 2.823
2 2H ALA 23 3H ALA 23 -13.556 9.440 4.183
3 3H ALA 23 1H ALA 23 -14.979 8.626 3.915
4 HA ALA 23 HA ALA 23 -16.275 10.529 4.219
5 1HB ALA 23 3HB ALA 23 -14.009 10.604 6.269
6 2HB ALA 23 2HB ALA 23 -15.579 11.428 6.432
7 3HB ALA 23 1HB ALA 23 -15.505 9.659 6.369
8 H VAL 24 H VAL 24 -13.704 12.550 5.480
9 HA VAL 24 HA VAL 24 -14.044 14.497 3.394
10 HB VAL 24 HB VAL 24 -12.043 15.563 4.314
11 1HG1 VAL 24 3HG2 VAL 24 -14.254 15.900 5.377
12 2HG1 VAL 24 1HG2 VAL 24 -13.915 14.574 6.510
13 3HG1 VAL 24 2HG2 VAL 24 -12.923 16.044 6.537
14 1HG2 VAL 24 2HG1 VAL 24 -11.778 13.130 6.140
15 2HG2 VAL 24 3HG1 VAL 24 -10.615 13.661 4.903
16 3HG2 VAL 24 1HG1 VAL 24 -10.911 14.661 6.324
17 H ASP 25 H ASP 25 -11.881 11.776 3.953
18 HA ASP 25 HA ASP 25 -10.341 12.003 1.514
19 1HB ASP 25 2HB ASP 25 -9.573 9.765 2.139
20 2HB ASP 25 1HB ASP 25 -9.559 10.785 3.582
21 H LEU 26 H LEU 26 -10.806 10.999 -0.426
22 HA LEU 26 HA LEU 26 -13.534 9.878 -0.863
23 1HB LEU 26 2HB LEU 26 -11.343 10.643 -2.834
24 2HB LEU 26 1HB LEU 26 -13.041 10.312 -3.211
25 HG LEU 26 HG LEU 26 -12.027 12.693 -1.578
26 1HD1 LEU 26 1HD1 LEU 26 -11.382 12.799 -3.931
27 2HD1 LEU 26 3HD1 LEU 26 -13.068 12.514 -4.424
28 3HD1 LEU 26 2HD1 LEU 26 -12.628 14.001 -3.549
29 1HD2 LEU 26 1HD2 LEU 26 -14.822 11.974 -2.575
30 2HD2 LEU 26 2HD2 LEU 26 -14.301 12.069 -0.876
31 3HD2 LEU 26 3HD2 LEU 26 -14.354 13.533 -1.863
32 H ASP 27 H ASP 27 -12.643 8.283 -3.176
33 HA ASP 27 HA ASP 27 -11.570 5.976 -1.715
34 1HB ASP 27 2HB ASP 27 -13.396 5.717 -3.332
35 2HB ASP 27 1HB ASP 27 -12.342 6.285 -4.638
36 H GLU 28 H GLU 28 -9.669 7.311 -1.188
37 HA GLU 28 HA GLU 28 -7.779 8.380 -2.927
38 1HB GLU 28 2HB GLU 28 -7.142 6.798 -0.405
39 2HB GLU 28 1HB GLU 28 -6.116 8.012 -1.173
40 1HG GLU 28 2HG GLU 28 -8.789 8.491 0.222
41 2HG GLU 28 1HG GLU 28 -7.192 8.969 0.777
42 H CYS 29 H CYS 29 -8.134 4.974 -1.944
43 HA CYS 29 HA CYS 29 -6.108 4.185 -4.008
44 1HB CYS 29 1HB CYS 29 -5.608 3.475 -1.734
45 2HB CYS 29 2HB CYS 29 -7.157 2.618 -1.667
46 H ALA 30 H ALA 30 -8.203 5.022 -5.275
47 HA ALA 30 HA ALA 30 -10.179 2.968 -5.768
48 1HB ALA 30 3HB ALA 30 -9.360 5.411 -7.394
49 2HB ALA 30 2HB ALA 30 -10.804 4.410 -7.677
50 3HB ALA 30 1HB ALA 30 -10.653 5.338 -6.185
51 H SER 31 H SER 31 -8.335 1.326 -5.857
52 HA SER 31 HA SER 31 -7.394 -0.373 -7.001
53 1HB SER 31 1HB SER 31 -8.506 0.806 -9.582
54 2HB SER 31 2HB SER 31 -7.888 -0.828 -9.315
55 HG SER 31 HG SER 31 -10.066 0.325 -7.898
56 H ARG 32 H ARG 32 -6.936 2.561 -9.004
57 HA ARG 32 HA ARG 32 -5.143 3.692 -9.710
58 1HB ARG 32 1HB ARG 32 -3.579 2.109 -7.654
59 2HB ARG 32 2HB ARG 32 -2.993 3.515 -8.524
60 1HG ARG 32 1HG ARG 32 -4.542 4.981 -7.465
61 2HG ARG 32 2HG ARG 32 -5.489 3.642 -6.777
62 1HD ARG 32 2HD ARG 32 -3.696 2.952 -5.360
63 2HD ARG 32 1HD ARG 32 -2.548 4.094 -6.127
64 HE ARG 32 HE ARG 32 -4.662 5.622 -5.120
65 1HH1 ARG 32 1HH2 ARG 32 -2.368 3.289 -3.686
66 2HH1 ARG 32 2HH2 ARG 32 -2.001 4.322 -2.335
67 1HH2 ARG 32 2HH1 ARG 32 -4.566 6.653 -3.215
68 2HH2 ARG 32 1HH1 ARG 32 -3.458 6.203 -1.933
69 H SER 33 H SER 33 -3.968 0.292 -9.222
70 HA SER 33 HA SER 33 -3.399 -0.039 -12.033
71 1HB SER 33 2HB SER 33 -1.502 1.488 -11.260
72 2HB SER 33 1HB SER 33 -0.994 0.213 -10.158
73 HG SER 33 HG SER 33 0.106 0.232 -12.152
74 H LYS 34 H LYS 34 -1.474 -1.900 -11.887
75 HA LYS 34 HA LYS 34 -2.830 -4.273 -10.827
76 1HB LYS 34 2HB LYS 34 -0.141 -3.972 -12.221
77 2HB LYS 34 1HB LYS 34 -0.997 -5.484 -11.852
78 1HG LYS 34 1HG LYS 34 -2.906 -4.710 -13.308
79 2HG LYS 34 2HG LYS 34 -1.976 -3.255 -13.694
80 1HD LYS 34 2HD LYS 34 -1.624 -4.711 -15.517
81 2HD LYS 34 1HD LYS 34 -0.125 -4.753 -14.574
82 1HE LYS 34 1HE LYS 34 -0.870 -6.921 -13.543
83 2HE LYS 34 2HE LYS 34 -2.363 -6.842 -14.495
84 1HZ LYS 34 2HZ LYS 34 -1.012 -6.927 -16.467
85 2HZ LYS 34 1HZ LYS 34 0.366 -6.993 -15.562
86 3HZ LYS 34 3HZ LYS 34 -0.720 -8.229 -15.500
87 H SER 35 H SER 35 -2.754 -3.236 -8.743
88 HA SER 35 HA SER 35 -0.953 -2.530 -6.999
89 1HB SER 35 1HB SER 35 -3.154 -4.556 -6.450
90 2HB SER 35 2HB SER 35 -2.332 -3.612 -5.213
91 HG SER 35 HG SER 35 -3.791 -2.510 -7.431
92 H GLY 36 H GLY 36 -1.416 -5.919 -7.646
93 1HA GLY 36 1HA GLY 36 0.249 -7.271 -5.960
94 2HA GLY 36 2HA GLY 36 0.069 -7.694 -7.664
95 H GLU 37 H GLU 37 1.366 -5.510 -8.907
96 HA GLU 37 HA GLU 37 4.121 -6.411 -8.500
97 1HB GLU 37 2HB GLU 37 2.927 -4.442 -10.490
98 2HB GLU 37 1HB GLU 37 4.609 -4.994 -10.441
99 1HG GLU 37 2HG GLU 37 3.830 -6.483 -11.967
100 2HG GLU 37 1HG GLU 37 3.500 -7.426 -10.515
101 H GLU 38 H GLU 38 2.321 -3.791 -7.192
102 HA GLU 38 HA GLU 38 2.882 -1.679 -6.474
103 1HB GLU 38 1HB GLU 38 4.275 -1.838 -4.468
104 2HB GLU 38 2HB GLU 38 3.010 -3.064 -4.565
105 1HG GLU 38 2HG GLU 38 4.644 -4.783 -5.189
106 2HG GLU 38 1HG GLU 38 5.944 -3.583 -5.240
107 H ASP 39 H ASP 39 3.833 -1.501 -8.796
108 HA ASP 39 HA ASP 39 6.380 -0.045 -8.578
109 1HB ASP 39 1HB ASP 39 7.265 -2.184 -9.045
110 2HB ASP 39 2HB ASP 39 6.113 -2.508 -10.331
111 HA PRO 40 HA PRO 40 4.292 1.423 -12.584
112 1HB PRO 40 1HB PRO 40 2.035 0.269 -13.601
113 2HB PRO 40 2HB PRO 40 3.671 -0.350 -13.944
114 1HG PRO 40 1HG PRO 40 1.770 -1.353 -11.796
115 2HG PRO 40 2HG PRO 40 2.599 -2.313 -13.056
116 1HD PRO 40 1HD PRO 40 3.643 -2.125 -10.599
117 2HD PRO 40 2HD PRO 40 4.707 -1.999 -12.025
118 H GLN 41 H GLN 41 4.077 2.619 -10.598
119 HA GLN 41 HA GLN 41 2.904 4.440 -9.743
120 1HB GLN 41 1HB GLN 41 0.416 2.675 -9.640
121 2HB GLN 41 2HB GLN 41 0.580 4.260 -8.916
122 1HG GLN 41 1HG GLN 41 0.875 5.356 -11.045
123 2HG GLN 41 2HG GLN 41 0.920 3.811 -11.905
124 1HE2 GLN 41 1HE2 GLN 41 -2.590 3.632 -12.184
125 2HE2 GLN 41 2HE2 GLN 41 -1.019 3.364 -12.929
126 HA PRO 42 HA PRO 42 4.242 2.479 -5.951
127 1HB PRO 42 2HB PRO 42 4.129 4.530 -4.173
128 2HB PRO 42 1HB PRO 42 5.254 4.536 -5.557
129 1HG PRO 42 1HG PRO 42 2.526 5.859 -5.419
130 2HG PRO 42 2HG PRO 42 4.078 6.610 -5.894
131 1HD PRO 42 2HD PRO 42 2.330 5.634 -7.744
132 2HD PRO 42 1HD PRO 42 4.098 5.459 -7.965
133 H GLN 43 H GLN 43 2.194 1.190 -6.301
134 HA GLN 43 HA GLN 43 -0.004 1.870 -4.456
135 1HB GLN 43 1HB GLN 43 0.079 0.745 -7.029
136 2HB GLN 43 2HB GLN 43 -0.186 -0.658 -5.998
137 1HG GLN 43 1HG GLN 43 -1.827 1.870 -6.165
138 2HG GLN 43 2HG GLN 43 -2.312 0.277 -6.765
139 1HE2 GLN 43 2HE2 GLN 43 -3.530 -0.826 -3.595
140 2HE2 GLN 43 1HE2 GLN 43 -3.225 -1.253 -5.267
141 H CYS 44 H CYS 44 -0.798 0.332 -2.904
142 HA CYS 44 HA CYS 44 1.163 -1.245 -1.499
143 1HB CYS 44 1HB CYS 44 -1.889 -1.206 -1.439
144 2HB CYS 44 2HB CYS 44 -0.890 -2.158 -0.333
145 H GLN 45 H GLN 45 1.521 -3.533 -1.588
146 HA GLN 45 HA GLN 45 1.288 -4.786 -3.997
147 1HB GLN 45 2HB GLN 45 2.696 -5.284 -1.870
148 2HB GLN 45 1HB GLN 45 1.359 -6.344 -1.409
149 1HG GLN 45 1HG GLN 45 1.613 -7.355 -3.808
150 2HG GLN 45 2HG GLN 45 3.071 -6.348 -3.886
151 1HE2 GLN 45 2HE2 GLN 45 4.839 -8.349 -1.399
152 2HE2 GLN 45 1HE2 GLN 45 4.811 -6.811 -2.279
153 H HIS 46 H HIS 46 -0.729 -5.477 -1.096
154 HA HIS 46 HA HIS 46 -2.533 -7.167 -2.752
155 1HB HIS 46 1HB HIS 46 -2.091 -6.846 0.178
156 2HB HIS 46 2HB HIS 46 -3.410 -7.836 -0.492
157 HD2 HIS 46 HD2 HIS 46 -0.100 -8.231 -2.432
158 HE1 HIS 46 HE1 HIS 46 -0.317 -11.419 0.323
159 HE2 HIS 46 HE2 HIS 46 1.061 -10.384 -1.607
160 H LEU 47 H LEU 47 -3.689 -5.455 0.168
161 HA LEU 47 HA LEU 47 -5.540 -3.963 -1.652
162 1HB LEU 47 1HB LEU 47 -7.458 -4.698 -0.303
163 2HB LEU 47 2HB LEU 47 -6.650 -5.957 -1.226
164 HG LEU 47 HG LEU 47 -5.434 -6.619 0.966
165 1HD1 LEU 47 1HD1 LEU 47 -7.679 -4.865 2.067
166 2HD1 LEU 47 3HD1 LEU 47 -6.825 -6.108 3.000
167 3HD1 LEU 47 2HD1 LEU 47 -5.939 -4.705 2.391
168 1HD2 LEU 47 2HD2 LEU 47 -7.200 -7.943 -0.111
169 2HD2 LEU 47 1HD2 LEU 47 -7.332 -7.998 1.652
170 3HD2 LEU 47 3HD2 LEU 47 -8.441 -6.972 0.713
171 H CYS 48 H CYS 48 -6.754 -2.312 -0.779
172 HA CYS 48 HA CYS 48 -5.312 -0.740 1.303
173 1HB CYS 48 2HB CYS 48 -6.983 0.166 -1.047
174 2HB CYS 48 1HB CYS 48 -6.235 1.200 0.183
175 H HIS 49 H HIS 49 -6.740 0.871 2.365
176 HA HIS 49 HA HIS 49 -9.656 0.457 2.343
177 1HB HIS 49 2HB HIS 49 -8.195 0.908 4.915
178 2HB HIS 49 1HB HIS 49 -9.845 0.419 4.710
179 HD2 HIS 49 HD2 HIS 49 -6.240 -1.134 4.562
180 HE1 HIS 49 HE1 HIS 49 -9.020 -4.233 5.302
181 HE2 HIS 49 HE2 HIS 49 -6.526 -3.643 5.236
182 H ASN 50 H ASN 50 -10.594 2.521 2.907
183 HA ASN 50 HA ASN 50 -8.716 4.864 2.677
184 1HB ASN 50 2HB ASN 50 -11.592 4.715 1.729
185 2HB ASN 50 1HB ASN 50 -10.504 6.096 1.606
186 1HD2 ASN 50 2HD2 ASN 50 -10.582 3.472 -1.399
187 2HD2 ASN 50 1HD2 ASN 50 -11.688 3.389 -0.038
188 H TYR 51 H TYR 51 -9.099 6.593 4.192
189 HA TYR 51 HA TYR 51 -11.372 6.634 5.909
190 1HB TYR 51 2HB TYR 51 -10.570 5.874 7.944
191 2HB TYR 51 1HB TYR 51 -10.076 4.609 6.845
192 HD1 TYR 51 HD2 TYR 51 -7.531 6.101 5.727
193 HD2 TYR 51 HD1 TYR 51 -9.052 5.465 9.711
194 HE1 TYR 51 HE2 TYR 51 -5.281 6.488 6.640
195 HE2 TYR 51 HE1 TYR 51 -6.795 5.846 10.622
196 HH TYR 51 HH TYR 51 -4.600 6.371 10.143
197 H VAL 52 H VAL 52 -10.696 8.106 7.982
198 HA VAL 52 HA VAL 52 -9.780 10.579 6.830
199 HB VAL 52 HB VAL 52 -9.889 11.461 9.117
200 1HG1 VAL 52 1HG2 VAL 52 -11.838 11.242 7.605
201 2HG1 VAL 52 2HG2 VAL 52 -12.236 9.678 8.346
202 3HG1 VAL 52 3HG2 VAL 52 -12.293 11.167 9.323
203 1HG2 VAL 52 2HG1 VAL 52 -10.561 8.594 9.955
204 2HG2 VAL 52 1HG1 VAL 52 -9.112 9.509 10.414
205 3HG2 VAL 52 3HG1 VAL 52 -10.705 10.045 10.966
206 H GLY 53 H GLY 53 -7.809 11.578 6.934
207 1HA GLY 53 2HA GLY 53 -5.496 11.722 7.465
208 2HA GLY 53 1HA GLY 53 -5.495 10.062 8.080
209 H GLY 54 H GLY 54 -7.337 9.387 5.568
210 1HA GLY 54 1HA GLY 54 -6.705 9.732 3.148
211 2HA GLY 54 2HA GLY 54 -5.080 9.231 3.563
212 H TYR 55 H TYR 55 -4.656 7.066 3.983
213 HA TYR 55 HA TYR 55 -6.757 5.066 3.886
214 1HB TYR 55 1HB TYR 55 -6.241 4.089 1.761
215 2HB TYR 55 2HB TYR 55 -6.509 5.777 1.486
216 HD1 TYR 55 HD1 TYR 55 -4.329 7.255 1.211
217 HD2 TYR 55 HD2 TYR 55 -4.324 2.940 1.127
218 HE1 TYR 55 HE1 TYR 55 -2.160 7.275 0.020
219 HE2 TYR 55 HE2 TYR 55 -2.203 2.970 -0.143
220 HH TYR 55 HH TYR 55 -0.585 6.002 -1.094
221 H PHE 56 H PHE 56 -5.977 2.915 4.137
222 HA PHE 56 HA PHE 56 -3.120 2.617 4.816
223 1HB PHE 56 1HB PHE 56 -3.633 1.157 6.716
224 2HB PHE 56 2HB PHE 56 -4.055 2.813 6.975
225 HD1 PHE 56 HD1 PHE 56 -6.528 3.506 6.755
226 HD2 PHE 56 HD2 PHE 56 -5.242 -0.599 7.010
227 HE1 PHE 56 HE1 PHE 56 -8.798 2.841 7.488
228 HE2 PHE 56 HE2 PHE 56 -7.512 -1.260 7.725
229 HZ PHE 56 HZ PHE 56 -9.290 0.454 8.009
230 H CYS 57 H CYS 57 -2.908 0.082 5.134
231 HA CYS 57 HA CYS 57 -4.409 -1.356 3.049
232 1HB CYS 57 2HB CYS 57 -1.392 -0.996 2.998
233 2HB CYS 57 1HB CYS 57 -2.264 -2.098 1.960
234 H SER 58 H SER 58 -3.638 -3.595 2.842
235 HA SER 58 HA SER 58 -2.477 -4.854 5.156
236 1HB SER 58 1HB SER 58 -5.410 -5.512 4.679
237 2HB SER 58 2HB SER 58 -4.366 -6.061 5.991
238 HG SER 58 HG SER 58 -4.227 -3.576 6.330
239 H CYS 59 H CYS 59 -2.912 -7.377 4.818
240 HA CYS 59 HA CYS 59 -2.513 -7.903 1.920
241 1HB CYS 59 2HB CYS 59 -1.265 -9.351 4.294
242 2HB CYS 59 1HB CYS 59 -0.852 -9.568 2.600
243 H ARG 60 H ARG 60 -2.781 -10.242 1.415
244 HA ARG 60 HA ARG 60 -5.346 -11.276 2.129
245 1HB ARG 60 1HB ARG 60 -2.805 -12.464 0.946
246 2HB ARG 60 2HB ARG 60 -4.252 -13.450 1.161
247 1HG ARG 60 1HG ARG 60 -5.476 -12.335 -0.455
248 2HG ARG 60 2HG ARG 60 -4.578 -10.821 -0.282
249 1HD ARG 60 1HD ARG 60 -4.145 -12.077 -2.438
250 2HD ARG 60 2HD ARG 60 -2.747 -11.575 -1.488
251 HE ARG 60 HE ARG 60 -3.851 -14.337 -1.198
252 1HH1 ARG 60 2HH1 ARG 60 -1.158 -12.320 -2.366
253 2HH1 ARG 60 1HH1 ARG 60 -0.017 -13.640 -2.319
254 1HH2 ARG 60 2HH2 ARG 60 -2.339 -16.047 -1.259
255 2HH2 ARG 60 1HH2 ARG 60 -0.661 -15.718 -1.634
256 HA PRO 61 HA PRO 61 -4.640 -13.014 6.105
257 1HB PRO 61 1HB PRO 61 -5.425 -15.739 5.156
258 2HB PRO 61 2HB PRO 61 -6.037 -14.845 6.570
259 1HG PRO 61 1HG PRO 61 -7.558 -14.974 4.308
260 2HG PRO 61 2HG PRO 61 -7.420 -13.449 5.229
261 1HD PRO 61 2HD PRO 61 -5.977 -14.224 2.693
262 2HD PRO 61 1HD PRO 61 -6.734 -12.667 3.147
263 H GLY 62 H GLY 62 -3.163 -14.300 7.321
264 1HA GLY 62 1HA GLY 62 -1.253 -15.545 7.732
265 2HA GLY 62 2HA GLY 62 -1.255 -16.113 6.058
266 H TYR 63 H TYR 63 -1.143 -13.709 4.640
267 HA TYR 63 HA TYR 63 1.647 -13.214 4.741
268 1HB TYR 63 1HB TYR 63 -0.606 -11.881 3.235
269 2HB TYR 63 2HB TYR 63 1.025 -11.242 3.178
270 HD1 TYR 63 HD1 TYR 63 -0.642 -14.634 2.809
271 HD2 TYR 63 HD2 TYR 63 2.247 -11.809 1.292
272 HE1 TYR 63 HE1 TYR 63 -0.253 -16.073 0.855
273 HE2 TYR 63 HE2 TYR 63 2.622 -13.249 -0.669
274 HH TYR 63 HH TYR 63 2.024 -15.248 -1.741
275 H GLU 64 H GLU 64 2.804 -11.299 5.155
276 HA GLU 64 HA GLU 64 1.739 -9.685 7.433
277 1HB GLU 64 1HB GLU 64 3.683 -11.382 7.654
278 2HB GLU 64 2HB GLU 64 4.657 -10.261 6.736
279 1HG GLU 64 1HG GLU 64 3.209 -9.556 9.341
280 2HG GLU 64 2HG GLU 64 4.839 -10.232 9.272
281 H LEU 65 H LEU 65 1.982 -7.423 7.276
282 HA LEU 65 HA LEU 65 2.720 -6.306 4.621
283 1HB LEU 65 1HB LEU 65 0.439 -5.776 5.670
284 2HB LEU 65 2HB LEU 65 1.318 -4.994 6.979
285 HG LEU 65 HG LEU 65 2.433 -3.528 5.133
286 1HD1 LEU 65 3HD1 LEU 65 0.027 -4.574 3.568
287 2HD1 LEU 65 1HD1 LEU 65 1.081 -3.238 3.080
288 3HD1 LEU 65 2HD1 LEU 65 1.735 -4.870 3.167
289 1HD2 LEU 65 3HD2 LEU 65 -0.531 -3.333 5.776
290 2HD2 LEU 65 1HD2 LEU 65 0.823 -2.628 6.692
291 3HD2 LEU 65 2HD2 LEU 65 0.438 -2.029 5.072
292 H GLN 66 H GLN 66 4.706 -5.280 4.492
293 HA GLN 66 HA GLN 66 6.367 -5.244 6.889
294 1HB GLN 66 2HB GLN 66 6.878 -4.288 4.070
295 2HB GLN 66 1HB GLN 66 8.074 -4.217 5.351
296 1HG GLN 66 2HG GLN 66 8.536 -6.154 4.040
297 2HG GLN 66 1HG GLN 66 8.017 -6.659 5.647
298 1HE2 GLN 66 2HE2 GLN 66 5.066 -8.326 4.500
299 2HE2 GLN 66 1HE2 GLN 66 5.957 -7.743 5.880
300 H GLU 67 H GLU 67 7.732 -3.281 7.259
301 HA GLU 67 HA GLU 67 6.133 -1.358 8.560
302 1HB GLU 67 1HB GLU 67 9.106 -1.260 7.854
303 2HB GLU 67 2HB GLU 67 8.274 -0.177 8.967
304 1HG GLU 67 1HG GLU 67 9.332 -1.776 10.335
305 2HG GLU 67 2HG GLU 67 7.608 -2.152 10.376
306 H ASP 68 H ASP 68 7.187 -1.390 5.316
307 HA ASP 68 HA ASP 68 7.105 1.509 4.871
308 1HB ASP 68 2HB ASP 68 7.412 0.934 2.514
309 2HB ASP 68 1HB ASP 68 8.613 0.120 3.529
310 H ARG 69 H ARG 69 4.792 -1.008 5.237
311 HA ARG 69 HA ARG 69 2.627 -0.987 5.267
312 1HB ARG 69 2HB ARG 69 3.274 1.613 5.651
313 2HB ARG 69 1HB ARG 69 2.209 1.830 4.283
314 1HG ARG 69 2HG ARG 69 1.488 0.156 6.712
315 2HG ARG 69 1HG ARG 69 1.344 1.912 6.781
316 1HD ARG 69 1HD ARG 69 -0.221 0.192 4.801
317 2HD ARG 69 2HD ARG 69 -0.787 0.727 6.363
318 HE ARG 69 HE ARG 69 -0.994 2.913 5.678
319 1HH1 ARG 69 1HH1 ARG 69 0.453 1.042 3.041
320 2HH1 ARG 69 2HH1 ARG 69 0.146 2.246 1.838
321 1HH2 ARG 69 2HH2 ARG 69 -1.817 4.292 4.003
322 2HH2 ARG 69 1HH2 ARG 69 -1.229 4.069 2.385
323 H HIS 70 H HIS 70 4.250 -0.742 2.420
324 HA HIS 70 HA HIS 70 1.769 -0.986 0.768
325 1HB HIS 70 1HB HIS 70 4.559 0.044 0.231
326 2HB HIS 70 2HB HIS 70 3.704 -0.782 -1.065
327 HD2 HIS 70 HD2 HIS 70 3.310 1.341 -2.629
328 HE1 HIS 70 HE1 HIS 70 0.878 3.517 0.059
329 HE2 HIS 70 HE2 HIS 70 1.705 3.374 -2.377
330 H SER 71 H SER 71 4.991 -2.371 1.340
331 HA SER 71 HA SER 71 4.530 -4.579 -0.461
332 1HB SER 71 1HB SER 71 6.732 -4.280 1.604
333 2HB SER 71 2HB SER 71 6.743 -5.279 0.142
334 HG SER 71 HG SER 71 6.370 -3.170 -0.993
335 H CYS 72 H CYS 72 3.895 -6.611 -0.091
336 HA CYS 72 HA CYS 72 3.247 -7.481 2.687
337 1HB CYS 72 2HB CYS 72 1.961 -8.145 0.018
338 2HB CYS 72 1HB CYS 72 1.689 -9.084 1.482
339 H GLN 73 H GLN 73 3.851 -9.663 3.214
340 HA GLN 73 HA GLN 73 5.300 -11.194 1.145
341 1HB GLN 73 1HB GLN 73 7.257 -11.622 2.402
342 2HB GLN 73 2HB GLN 73 7.028 -9.895 2.392
343 1HG GLN 73 1HG GLN 73 5.769 -10.355 4.709
344 2HG GLN 73 2HG GLN 73 6.538 -11.936 4.587
345 1HE2 GLN 73 1HE2 GLN 73 8.921 -10.413 6.718
346 2HE2 GLN 73 2HE2 GLN 73 7.430 -11.373 6.649
347 H ALA 74 H ALA 74 5.888 -13.262 1.970
348 HA ALA 74 HA ALA 74 3.428 -14.533 3.070
349 1HB ALA 74 3HB ALA 74 4.324 -15.448 1.033
350 2HB ALA 74 1HB ALA 74 5.887 -15.779 1.832
351 3HB ALA 74 2HB ALA 74 4.409 -16.627 2.364
352 H GLU 75 H GLU 75 3.788 -13.566 5.054
353 HA GLU 75 HA GLU 75 4.011 -13.764 7.308
354 1HB GLU 75 1HB GLU 75 5.484 -16.383 6.794
355 2HB GLU 75 2HB GLU 75 4.999 -15.737 8.352
356 1HG GLU 75 1HG GLU 75 3.350 -17.343 7.762
357 2HG GLU 75 2HG GLU 75 2.596 -15.756 7.605
No H/Q in entry = 357
Start of MODEL 13
1 1H ALA 23 1H ALA 23 -10.559 2.741 -8.823
2 2H ALA 23 2H ALA 23 -8.920 2.334 -8.669
3 3H ALA 23 3H ALA 23 -9.481 3.808 -8.210
4 HA ALA 23 HA ALA 23 -8.303 3.989 -10.249
5 1HB ALA 23 1HB ALA 23 -10.377 2.018 -11.279
6 2HB ALA 23 2HB ALA 23 -9.192 2.898 -12.266
7 3HB ALA 23 3HB ALA 23 -8.639 1.719 -11.061
8 H VAL 24 H VAL 24 -8.993 6.112 -9.872
9 HA VAL 24 HA VAL 24 -10.043 8.031 -10.306
10 HB VAL 24 HB VAL 24 -12.063 6.550 -12.050
11 1HG1 VAL 24 1HG1 VAL 24 -11.268 9.481 -11.869
12 2HG1 VAL 24 2HG1 VAL 24 -12.371 8.771 -13.064
13 3HG1 VAL 24 3HG1 VAL 24 -12.818 8.781 -11.355
14 1HG2 VAL 24 2HG2 VAL 24 -9.431 7.919 -12.778
15 2HG2 VAL 24 3HG2 VAL 24 -9.771 6.181 -12.923
16 3HG2 VAL 24 1HG2 VAL 24 -10.645 7.333 -13.933
17 H ASP 25 H ASP 25 -12.422 5.411 -9.814
18 HA ASP 25 HA ASP 25 -14.355 6.758 -8.369
19 1HB ASP 25 2HB ASP 25 -15.101 4.592 -7.708
20 2HB ASP 25 1HB ASP 25 -14.366 4.366 -9.296
21 H LEU 26 H LEU 26 -14.889 6.443 -6.072
22 HA LEU 26 HA LEU 26 -12.979 7.696 -4.486
23 1HB LEU 26 2HB LEU 26 -14.603 7.737 -2.744
24 2HB LEU 26 1HB LEU 26 -15.418 7.967 -4.280
25 HG LEU 26 HG LEU 26 -16.794 6.661 -2.912
26 1HD1 LEU 26 1HD1 LEU 26 -16.751 5.924 -5.274
27 2HD1 LEU 26 2HD1 LEU 26 -15.576 4.651 -4.840
28 3HD1 LEU 26 3HD1 LEU 26 -17.204 4.634 -4.150
29 1HD2 LEU 26 2HD2 LEU 26 -15.018 5.814 -1.341
30 2HD2 LEU 26 1HD2 LEU 26 -16.309 4.674 -1.751
31 3HD2 LEU 26 3HD2 LEU 26 -14.721 4.491 -2.493
32 H ASP 27 H ASP 27 -12.850 4.466 -5.082
33 HA ASP 27 HA ASP 27 -11.920 3.660 -2.410
34 1HB ASP 27 2HB ASP 27 -12.993 2.008 -3.881
35 2HB ASP 27 1HB ASP 27 -11.686 2.198 -5.067
36 H GLU 28 H GLU 28 -10.511 5.516 -2.297
37 HA GLU 28 HA GLU 28 -8.398 6.307 -3.777
38 1HB GLU 28 2HB GLU 28 -8.481 5.991 -0.755
39 2HB GLU 28 1HB GLU 28 -7.208 6.873 -1.645
40 1HG GLU 28 1HG GLU 28 -8.884 8.303 -2.667
41 2HG GLU 28 2HG GLU 28 -10.184 7.502 -1.755
42 H CYS 29 H CYS 29 -8.194 3.527 -1.533
43 HA CYS 29 HA CYS 29 -5.604 2.640 -1.817
44 1HB CYS 29 1HB CYS 29 -7.463 1.564 -0.543
45 2HB CYS 29 2HB CYS 29 -8.078 0.903 -2.051
46 H ALA 30 H ALA 30 -8.234 2.157 -4.139
47 HA ALA 30 HA ALA 30 -6.585 0.597 -6.017
48 1HB ALA 30 3HB ALA 30 -8.850 -0.086 -5.388
49 2HB ALA 30 2HB ALA 30 -9.488 1.452 -6.028
50 3HB ALA 30 1HB ALA 30 -8.723 0.281 -7.128
51 H SER 31 H SER 31 -7.210 3.912 -5.477
52 HA SER 31 HA SER 31 -7.125 4.596 -8.393
53 1HB SER 31 2HB SER 31 -8.076 6.189 -5.999
54 2HB SER 31 1HB SER 31 -7.952 6.813 -7.649
55 HG SER 31 HG SER 31 -10.075 5.864 -6.960
56 H ARG 32 H ARG 32 -5.345 4.857 -5.371
57 HA ARG 32 HA ARG 32 -3.547 6.927 -6.503
58 1HB ARG 32 1HB ARG 32 -3.405 5.368 -3.917
59 2HB ARG 32 2HB ARG 32 -2.260 6.616 -4.412
60 1HG ARG 32 2HG ARG 32 -4.288 8.194 -4.668
61 2HG ARG 32 1HG ARG 32 -5.196 6.967 -3.769
62 1HD ARG 32 2HD ARG 32 -3.295 7.149 -1.998
63 2HD ARG 32 1HD ARG 32 -2.760 8.576 -2.885
64 HE ARG 32 HE ARG 32 -5.543 8.841 -2.329
65 1HH1 ARG 32 2HH1 ARG 32 -2.386 8.947 -0.691
66 2HH1 ARG 32 1HH1 ARG 32 -3.006 9.818 0.687
67 1HH2 ARG 32 1HH2 ARG 32 -6.313 10.037 -0.517
68 2HH2 ARG 32 2HH2 ARG 32 -5.222 10.462 0.783
69 H SER 33 H SER 33 -3.595 5.011 -8.332
70 HA SER 33 HA SER 33 -1.426 3.067 -8.062
71 1HB SER 33 2HB SER 33 -3.133 3.939 -10.434
72 2HB SER 33 1HB SER 33 -2.025 2.559 -10.414
73 HG SER 33 HG SER 33 -3.290 1.521 -8.989
74 H LYS 34 H LYS 34 -0.068 5.229 -7.441
75 HA LYS 34 HA LYS 34 1.532 5.823 -9.886
76 1HB LYS 34 1HB LYS 34 0.682 7.876 -7.826
77 2HB LYS 34 2HB LYS 34 1.859 8.125 -9.118
78 1HG LYS 34 2HG LYS 34 0.123 7.915 -10.818
79 2HG LYS 34 1HG LYS 34 -1.065 7.403 -9.614
80 1HD LYS 34 1HD LYS 34 -1.462 9.725 -10.185
81 2HD LYS 34 2HD LYS 34 -0.986 9.571 -8.493
82 1HE LYS 34 2HE LYS 34 1.369 10.257 -9.156
83 2HE LYS 34 1HE LYS 34 0.787 10.482 -10.813
84 1HZ LYS 34 3HZ LYS 34 -0.754 12.125 -9.882
85 2HZ LYS 34 2HZ LYS 34 -0.054 11.934 -8.395
86 3HZ LYS 34 1HZ LYS 34 0.830 12.513 -9.647
87 H SER 35 H SER 35 3.739 5.868 -9.463
88 HA SER 35 HA SER 35 4.663 4.496 -7.184
89 1HB SER 35 2HB SER 35 6.295 6.092 -9.197
90 2HB SER 35 1HB SER 35 6.775 4.636 -8.303
91 HG SER 35 HG SER 35 6.091 4.185 -10.474
92 H GLY 36 H GLY 36 3.487 6.536 -5.833
93 1HA GLY 36 1HA GLY 36 3.997 7.890 -4.025
94 2HA GLY 36 2HA GLY 36 5.716 7.703 -4.369
95 H GLU 37 H GLU 37 5.910 8.741 -6.905
96 HA GLU 37 HA GLU 37 6.364 11.416 -6.735
97 1HB GLU 37 2HB GLU 37 5.372 9.824 -9.133
98 2HB GLU 37 1HB GLU 37 6.090 11.436 -9.240
99 1HG GLU 37 1HG GLU 37 8.215 10.638 -8.369
100 2HG GLU 37 2HG GLU 37 7.557 9.032 -8.041
101 H GLU 38 H GLU 38 4.977 12.900 -5.908
102 HA GLU 38 HA GLU 38 3.122 14.082 -5.448
103 1HB GLU 38 2HB GLU 38 2.511 13.793 -8.423
104 2HB GLU 38 1HB GLU 38 2.026 15.111 -7.348
105 1HG GLU 38 1HG GLU 38 4.852 14.453 -8.305
106 2HG GLU 38 2HG GLU 38 3.879 15.863 -8.721
107 H ASP 39 H ASP 39 2.849 11.522 -4.779
108 HA ASP 39 HA ASP 39 -0.078 11.249 -4.650
109 1HB ASP 39 2HB ASP 39 0.481 10.114 -6.742
110 2HB ASP 39 1HB ASP 39 1.685 9.120 -5.912
111 HA PRO 40 HA PRO 40 2.467 10.067 -0.902
112 1HB PRO 40 1HB PRO 40 0.829 11.174 1.020
113 2HB PRO 40 2HB PRO 40 2.074 12.099 0.132
114 1HG PRO 40 1HG PRO 40 -0.882 11.907 -0.501
115 2HG PRO 40 2HG PRO 40 0.112 13.389 -0.370
116 1HD PRO 40 2HD PRO 40 -0.442 12.262 -2.757
117 2HD PRO 40 1HD PRO 40 1.189 12.932 -2.458
118 H GLN 41 H GLN 41 2.000 8.350 0.559
119 HA GLN 41 HA GLN 41 1.149 6.295 0.999
120 1HB GLN 41 1HB GLN 41 -0.168 7.500 2.499
121 2HB GLN 41 2HB GLN 41 -1.227 8.037 1.203
122 1HG GLN 41 1HG GLN 41 -2.216 6.408 2.820
123 2HG GLN 41 2HG GLN 41 -2.416 5.988 1.134
124 1HE2 GLN 41 2HE2 GLN 41 -1.203 3.062 3.343
125 2HE2 GLN 41 1HE2 GLN 41 -2.358 4.346 3.720
126 HA PRO 42 HA PRO 42 -0.120 5.853 -3.500
127 1HB PRO 42 1HB PRO 42 2.044 4.365 -4.342
128 2HB PRO 42 2HB PRO 42 2.055 6.147 -4.205
129 1HG PRO 42 2HG PRO 42 3.037 4.154 -2.139
130 2HG PRO 42 1HG PRO 42 3.933 5.541 -2.824
131 1HD PRO 42 1HD PRO 42 2.584 5.841 -0.462
132 2HD PRO 42 2HD PRO 42 2.536 7.109 -1.705
133 H GLN 43 H GLN 43 -0.387 3.749 -4.758
134 HA GLN 43 HA GLN 43 -1.991 1.980 -3.387
135 1HB GLN 43 2HB GLN 43 -1.940 2.417 -5.750
136 2HB GLN 43 1HB GLN 43 -0.443 1.499 -5.957
137 1HG GLN 43 2HG GLN 43 -1.560 -0.557 -5.657
138 2HG GLN 43 1HG GLN 43 -2.881 0.172 -4.723
139 1HE2 GLN 43 1HE2 GLN 43 -4.636 1.496 -7.560
140 2HE2 GLN 43 2HE2 GLN 43 -4.456 1.497 -5.793
141 H CYS 44 H CYS 44 -1.633 0.475 -1.901
142 HA CYS 44 HA CYS 44 0.997 -0.637 -1.323
143 1HB CYS 44 2HB CYS 44 -1.784 -1.011 -0.177
144 2HB CYS 44 1HB CYS 44 -0.400 -1.953 0.383
145 H GLN 45 H GLN 45 1.305 -3.161 -1.098
146 HA GLN 45 HA GLN 45 1.149 -4.186 -3.629
147 1HB GLN 45 1HB GLN 45 2.812 -4.541 -1.795
148 2HB GLN 45 2HB GLN 45 1.607 -5.555 -0.964
149 1HG GLN 45 2HG GLN 45 1.455 -6.817 -3.049
150 2HG GLN 45 1HG GLN 45 2.881 -5.995 -3.712
151 1HE2 GLN 45 2HE2 GLN 45 3.474 -9.141 -1.281
152 2HE2 GLN 45 1HE2 GLN 45 2.164 -8.928 -2.451
153 H HIS 46 H HIS 46 -0.985 -4.745 -0.785
154 HA HIS 46 HA HIS 46 -2.643 -6.641 -2.431
155 1HB HIS 46 2HB HIS 46 -2.177 -6.393 0.532
156 2HB HIS 46 1HB HIS 46 -3.568 -7.253 -0.145
157 HD2 HIS 46 HD2 HIS 46 -0.242 -7.943 -2.013
158 HE1 HIS 46 HE1 HIS 46 -1.180 -11.196 0.516
159 HE2 HIS 46 HE2 HIS 46 0.408 -10.403 -1.317
160 H LEU 47 H LEU 47 -3.697 -4.961 0.548
161 HA LEU 47 HA LEU 47 -5.563 -3.321 -1.042
162 1HB LEU 47 1HB LEU 47 -7.539 -4.288 0.123
163 2HB LEU 47 2HB LEU 47 -6.734 -5.357 -1.012
164 HG LEU 47 HG LEU 47 -5.638 -6.568 0.881
165 1HD1 LEU 47 1HD1 LEU 47 -7.427 -4.781 2.594
166 2HD1 LEU 47 2HD1 LEU 47 -6.645 -6.275 3.158
167 3HD1 LEU 47 3HD1 LEU 47 -5.653 -4.908 2.657
168 1HD2 LEU 47 2HD2 LEU 47 -7.718 -7.366 -0.167
169 2HD2 LEU 47 3HD2 LEU 47 -7.681 -7.748 1.562
170 3HD2 LEU 47 1HD2 LEU 47 -8.675 -6.396 0.975
171 H CYS 48 H CYS 48 -7.195 -2.239 0.650
172 HA CYS 48 HA CYS 48 -5.757 -1.390 3.057
173 1HB CYS 48 1HB CYS 48 -6.750 0.841 1.328
174 2HB CYS 48 2HB CYS 48 -5.360 0.790 2.378
175 H HIS 49 H HIS 49 -7.051 0.394 4.066
176 HA HIS 49 HA HIS 49 -9.996 -0.002 3.777
177 1HB HIS 49 1HB HIS 49 -8.470 0.739 6.285
178 2HB HIS 49 2HB HIS 49 -10.172 0.289 6.119
179 HD2 HIS 49 HD2 HIS 49 -6.589 -1.493 5.647
180 HE1 HIS 49 HE1 HIS 49 -9.253 -4.140 7.585
181 HE2 HIS 49 HE2 HIS 49 -6.822 -3.777 6.832
182 H ASN 50 H ASN 50 -10.878 1.992 3.208
183 HA ASN 50 HA ASN 50 -9.022 4.288 3.086
184 1HB ASN 50 1HB ASN 50 -11.836 4.380 2.118
185 2HB ASN 50 2HB ASN 50 -10.518 5.444 1.708
186 1HD2 ASN 50 2HD2 ASN 50 -11.046 2.142 -0.556
187 2HD2 ASN 50 1HD2 ASN 50 -12.164 2.624 0.722
188 H TYR 51 H TYR 51 -9.541 6.352 3.865
189 HA TYR 51 HA TYR 51 -11.525 6.900 5.787
190 1HB TYR 51 1HB TYR 51 -10.493 6.732 7.873
191 2HB TYR 51 2HB TYR 51 -10.217 5.174 7.142
192 HD1 TYR 51 HD1 TYR 51 -7.729 6.606 5.413
193 HD2 TYR 51 HD2 TYR 51 -8.834 6.097 9.549
194 HE1 TYR 51 HE1 TYR 51 -5.360 6.736 6.059
195 HE2 TYR 51 HE2 TYR 51 -6.457 6.239 10.191
196 HH TYR 51 HH TYR 51 -4.282 6.471 9.452
197 H VAL 52 H VAL 52 -10.453 8.869 7.363
198 HA VAL 52 HA VAL 52 -10.042 10.944 5.596
199 HB VAL 52 HB VAL 52 -10.895 11.047 7.936
200 1HG1 VAL 52 1HG1 VAL 52 -9.212 9.536 9.026
201 2HG1 VAL 52 3HG1 VAL 52 -7.986 10.805 8.831
202 3HG1 VAL 52 2HG1 VAL 52 -9.403 11.090 9.851
203 1HG2 VAL 52 1HG2 VAL 52 -10.147 13.055 6.764
204 2HG2 VAL 52 3HG2 VAL 52 -9.902 13.162 8.524
205 3HG2 VAL 52 2HG2 VAL 52 -8.512 12.851 7.451
206 H GLY 53 H GLY 53 -8.326 11.969 4.714
207 1HA GLY 53 1HA GLY 53 -6.094 12.473 4.289
208 2HA GLY 53 2HA GLY 53 -5.560 11.238 5.436
209 H GLY 54 H GLY 54 -7.519 9.210 4.050
210 1HA GLY 54 2HA GLY 54 -7.131 8.705 1.473
211 2HA GLY 54 1HA GLY 54 -5.503 8.358 2.046
212 H TYR 55 H TYR 55 -5.107 6.579 3.282
213 HA TYR 55 HA TYR 55 -7.176 4.792 4.205
214 1HB TYR 55 1HB TYR 55 -6.568 2.963 2.566
215 2HB TYR 55 2HB TYR 55 -7.402 4.307 1.810
216 HD1 TYR 55 HD2 TYR 55 -4.064 2.781 2.206
217 HD2 TYR 55 HD1 TYR 55 -6.457 5.691 0.143
218 HE1 TYR 55 HE2 TYR 55 -2.444 2.770 0.320
219 HE2 TYR 55 HE1 TYR 55 -4.927 5.565 -1.799
220 HH TYR 55 HH TYR 55 -1.987 3.620 -1.735
221 H PHE 56 H PHE 56 -6.321 2.836 5.112
222 HA PHE 56 HA PHE 56 -3.392 2.894 5.706
223 1HB PHE 56 2HB PHE 56 -3.841 1.909 7.866
224 2HB PHE 56 1HB PHE 56 -4.579 3.495 7.731
225 HD1 PHE 56 HD2 PHE 56 -7.070 3.731 7.586
226 HD2 PHE 56 HD1 PHE 56 -5.197 -0.116 8.135
227 HE1 PHE 56 HE2 PHE 56 -9.148 2.861 8.618
228 HE2 PHE 56 HE1 PHE 56 -7.284 -0.986 9.141
229 HZ PHE 56 HZ PHE 56 -9.250 0.510 9.427
230 H CYS 57 H CYS 57 -2.376 0.929 5.285
231 HA CYS 57 HA CYS 57 -3.926 -0.807 3.556
232 1HB CYS 57 1HB CYS 57 -0.965 -0.709 4.007
233 2HB CYS 57 2HB CYS 57 -1.808 -1.653 2.782
234 H SER 58 H SER 58 -3.353 -3.116 3.419
235 HA SER 58 HA SER 58 -2.634 -4.597 5.786
236 1HB SER 58 2HB SER 58 -5.555 -4.478 4.916
237 2HB SER 58 1HB SER 58 -4.918 -5.756 5.941
238 HG SER 58 HG SER 58 -4.332 -3.211 6.818
239 H CYS 59 H CYS 59 -3.309 -7.031 5.218
240 HA CYS 59 HA CYS 59 -2.903 -7.501 2.303
241 1HB CYS 59 2HB CYS 59 -1.446 -8.987 4.527
242 2HB CYS 59 1HB CYS 59 -1.174 -9.156 2.805
243 H ARG 60 H ARG 60 -3.234 -9.756 1.718
244 HA ARG 60 HA ARG 60 -5.667 -10.900 2.845
245 1HB ARG 60 1HB ARG 60 -3.628 -11.883 0.792
246 2HB ARG 60 2HB ARG 60 -5.175 -12.671 1.099
247 1HG ARG 60 2HG ARG 60 -6.399 -10.664 0.389
248 2HG ARG 60 1HG ARG 60 -4.887 -9.786 0.123
249 1HD ARG 60 1HD ARG 60 -5.750 -12.287 -1.395
250 2HD ARG 60 2HD ARG 60 -5.852 -10.633 -1.967
251 HE ARG 60 HE ARG 60 -3.526 -10.410 -2.104
252 1HH1 ARG 60 2HH2 ARG 60 -4.372 -13.713 -1.129
253 2HH1 ARG 60 1HH2 ARG 60 -2.918 -14.409 -1.789
254 1HH2 ARG 60 1HH1 ARG 60 -1.656 -11.327 -2.965
255 2HH2 ARG 60 2HH1 ARG 60 -1.298 -13.025 -2.748
256 HA PRO 61 HA PRO 61 -3.638 -13.520 5.803
257 1HB PRO 61 2HB PRO 61 -4.856 -16.024 5.480
258 2HB PRO 61 1HB PRO 61 -5.477 -14.648 6.419
259 1HG PRO 61 2HG PRO 61 -6.130 -15.465 3.568
260 2HG PRO 61 1HG PRO 61 -7.282 -14.947 4.833
261 1HD PRO 61 2HD PRO 61 -6.452 -13.252 2.888
262 2HD PRO 61 1HD PRO 61 -6.652 -12.660 4.560
263 H GLY 62 H GLY 62 -2.092 -15.172 6.030
264 1HA GLY 62 2HA GLY 62 -0.317 -16.502 5.359
265 2HA GLY 62 1HA GLY 62 -1.068 -16.705 3.768
266 H TYR 63 H TYR 63 -0.612 -13.448 5.016
267 HA TYR 63 HA TYR 63 1.933 -13.027 3.819
268 1HB TYR 63 1HB TYR 63 -0.556 -11.641 2.750
269 2HB TYR 63 2HB TYR 63 1.054 -10.999 2.534
270 HD1 TYR 63 HD1 TYR 63 -1.114 -13.915 1.701
271 HD2 TYR 63 HD2 TYR 63 2.373 -11.607 0.668
272 HE1 TYR 63 HE1 TYR 63 -1.142 -14.887 -0.568
273 HE2 TYR 63 HE2 TYR 63 2.287 -12.501 -1.626
274 HH TYR 63 HH TYR 63 1.100 -13.850 -3.125
275 H GLU 64 H GLU 64 2.523 -10.612 4.265
276 HA GLU 64 HA GLU 64 1.248 -9.657 6.758
277 1HB GLU 64 1HB GLU 64 4.033 -10.848 6.613
278 2HB GLU 64 2HB GLU 64 3.619 -9.646 7.839
279 1HG GLU 64 2HG GLU 64 2.204 -12.331 7.495
280 2HG GLU 64 1HG GLU 64 3.426 -11.944 8.707
281 H LEU 65 H LEU 65 1.118 -7.612 6.723
282 HA LEU 65 HA LEU 65 2.365 -5.937 4.771
283 1HB LEU 65 1HB LEU 65 0.040 -5.763 5.965
284 2HB LEU 65 2HB LEU 65 0.899 -5.120 7.340
285 HG LEU 65 HG LEU 65 -0.168 -3.402 6.037
286 1HD1 LEU 65 2HD1 LEU 65 2.081 -2.985 7.148
287 2HD1 LEU 65 1HD1 LEU 65 2.783 -3.058 5.506
288 3HD1 LEU 65 3HD1 LEU 65 1.540 -1.844 5.909
289 1HD2 LEU 65 3HD2 LEU 65 -0.161 -4.414 3.794
290 2HD2 LEU 65 2HD2 LEU 65 0.483 -2.777 3.777
291 3HD2 LEU 65 1HD2 LEU 65 1.596 -4.144 3.658
292 H GLN 66 H GLN 66 4.510 -5.660 4.922
293 HA GLN 66 HA GLN 66 5.868 -5.898 7.498
294 1HB GLN 66 1HB GLN 66 6.505 -6.447 4.818
295 2HB GLN 66 2HB GLN 66 7.459 -5.017 5.153
296 1HG GLN 66 2HG GLN 66 8.739 -7.022 5.628
297 2HG GLN 66 1HG GLN 66 8.465 -6.144 7.127
298 1HE2 GLN 66 1HE2 GLN 66 6.012 -9.425 6.920
299 2HE2 GLN 66 2HE2 GLN 66 5.666 -8.066 5.865
300 H GLU 67 H GLU 67 7.775 -4.319 7.884
301 HA GLU 67 HA GLU 67 6.769 -1.798 8.607
302 1HB GLU 67 2HB GLU 67 9.631 -2.794 8.239
303 2HB GLU 67 1HB GLU 67 9.224 -1.244 8.975
304 1HG GLU 67 1HG GLU 67 8.289 -3.950 10.047
305 2HG GLU 67 2HG GLU 67 9.647 -3.006 10.668
306 H ASP 68 H ASP 68 7.495 -2.762 5.481
307 HA ASP 68 HA ASP 68 8.516 -0.250 4.394
308 1HB ASP 68 2HB ASP 68 7.139 -2.647 3.112
309 2HB ASP 68 1HB ASP 68 7.871 -1.302 2.227
310 H ARG 69 H ARG 69 5.458 -1.503 5.502
311 HA ARG 69 HA ARG 69 3.471 -0.648 5.710
312 1HB ARG 69 1HB ARG 69 4.769 1.893 4.704
313 2HB ARG 69 2HB ARG 69 3.017 1.739 4.671
314 1HG ARG 69 1HG ARG 69 3.565 2.702 6.770
315 2HG ARG 69 2HG ARG 69 3.001 1.034 7.021
316 1HD ARG 69 1HD ARG 69 5.313 0.272 7.311
317 2HD ARG 69 2HD ARG 69 5.916 1.926 7.047
318 HE ARG 69 HE ARG 69 3.997 1.984 9.132
319 1HH1 ARG 69 1HH1 ARG 69 7.252 0.727 8.521
320 2HH1 ARG 69 2HH1 ARG 69 7.591 0.421 10.212
321 1HH2 ARG 69 2HH2 ARG 69 4.502 1.706 11.352
322 2HH2 ARG 69 1HH2 ARG 69 6.059 1.079 11.828
323 H HIS 70 H HIS 70 4.834 -0.408 2.475
324 HA HIS 70 HA HIS 70 2.178 -1.009 1.375
325 1HB HIS 70 1HB HIS 70 4.847 -0.194 0.148
326 2HB HIS 70 2HB HIS 70 3.439 -0.643 -0.823
327 HD2 HIS 70 HD2 HIS 70 1.984 1.471 -1.531
328 HE1 HIS 70 HE1 HIS 70 2.460 3.765 1.984
329 HE2 HIS 70 HE2 HIS 70 1.143 3.544 -0.210
330 H SER 71 H SER 71 5.370 -2.556 1.583
331 HA SER 71 HA SER 71 4.772 -4.705 -0.111
332 1HB SER 71 2HB SER 71 6.808 -4.790 2.119
333 2HB SER 71 1HB SER 71 6.885 -5.521 0.508
334 HG SER 71 HG SER 71 8.109 -3.510 0.838
335 H CYS 72 H CYS 72 3.559 -6.457 0.201
336 HA CYS 72 HA CYS 72 2.916 -7.472 2.949
337 1HB CYS 72 1HB CYS 72 1.645 -8.177 0.313
338 2HB CYS 72 2HB CYS 72 1.285 -8.882 1.856
339 H GLN 73 H GLN 73 4.667 -8.772 3.503
340 HA GLN 73 HA GLN 73 6.034 -10.398 1.411
341 1HB GLN 73 2HB GLN 73 6.227 -10.621 4.425
342 2HB GLN 73 1HB GLN 73 7.263 -11.423 3.242
343 1HG GLN 73 1HG GLN 73 7.931 -9.124 2.384
344 2HG GLN 73 2HG GLN 73 7.148 -8.444 3.816
345 1HE2 GLN 73 2HE2 GLN 73 9.645 -10.370 5.927
346 2HE2 GLN 73 1HE2 GLN 73 7.904 -10.462 5.779
347 H ALA 74 H ALA 74 6.087 -12.843 1.827
348 HA ALA 74 HA ALA 74 3.308 -13.863 2.288
349 1HB ALA 74 2HB ALA 74 5.666 -15.113 0.841
350 2HB ALA 74 3HB ALA 74 4.059 -15.839 1.077
351 3HB ALA 74 1HB ALA 74 4.231 -14.372 0.093
352 H GLU 75 H GLU 75 3.057 -14.594 4.428
353 HA GLU 75 HA GLU 75 5.111 -16.161 5.732
354 1HB GLU 75 2HB GLU 75 4.110 -13.515 6.876
355 2HB GLU 75 1HB GLU 75 5.098 -14.705 7.729
356 1HG GLU 75 1HG GLU 75 6.959 -14.284 6.111
357 2HG GLU 75 2HG GLU 75 5.965 -13.060 5.302
No H/Q in entry = 357
Start of MODEL 14
1 1H ALA 23 3H ALA 23 -2.958 15.046 -7.729
2 2H ALA 23 2H ALA 23 -4.456 15.579 -7.414
3 3H ALA 23 1H ALA 23 -3.178 16.654 -7.317
4 HA ALA 23 HA ALA 23 -2.276 15.431 -5.466
5 1HB ALA 23 3HB ALA 23 -4.036 17.151 -4.974
6 2HB ALA 23 2HB ALA 23 -5.273 15.878 -5.054
7 3HB ALA 23 1HB ALA 23 -4.022 15.839 -3.791
8 H VAL 24 H VAL 24 -3.904 13.762 -3.693
9 HA VAL 24 HA VAL 24 -3.617 11.208 -5.078
10 HB VAL 24 HB VAL 24 -2.832 11.537 -2.817
11 1HG1 VAL 24 1HG2 VAL 24 -4.535 13.102 -1.905
12 2HG1 VAL 24 2HG2 VAL 24 -5.716 11.780 -1.866
13 3HG1 VAL 24 3HG2 VAL 24 -4.257 11.695 -0.878
14 1HG2 VAL 24 3HG1 VAL 24 -3.473 9.284 -3.607
15 2HG2 VAL 24 2HG1 VAL 24 -3.614 9.489 -1.851
16 3HG2 VAL 24 1HG1 VAL 24 -5.071 9.491 -2.856
17 H ASP 25 H ASP 25 -5.232 12.269 -6.668
18 HA ASP 25 HA ASP 25 -8.060 12.255 -5.923
19 1HB ASP 25 2HB ASP 25 -6.658 12.575 -8.609
20 2HB ASP 25 1HB ASP 25 -8.388 12.792 -8.317
21 H LEU 26 H LEU 26 -7.773 9.963 -5.082
22 HA LEU 26 HA LEU 26 -8.897 8.125 -7.057
23 1HB LEU 26 1HB LEU 26 -7.232 6.332 -6.531
24 2HB LEU 26 2HB LEU 26 -6.609 7.681 -7.478
25 HG LEU 26 HG LEU 26 -5.502 8.601 -5.435
26 1HD1 LEU 26 3HD1 LEU 26 -6.679 6.084 -4.188
27 2HD1 LEU 26 2HD1 LEU 26 -5.196 6.835 -3.573
28 3HD1 LEU 26 1HD1 LEU 26 -6.708 7.746 -3.548
29 1HD2 LEU 26 1HD2 LEU 26 -4.349 7.105 -7.046
30 2HD2 LEU 26 3HD2 LEU 26 -3.730 6.907 -5.398
31 3HD2 LEU 26 2HD2 LEU 26 -4.853 5.703 -6.069
32 H ASP 27 H ASP 27 -9.401 5.965 -5.870
33 HA ASP 27 HA ASP 27 -10.342 6.576 -3.076
34 1HB ASP 27 1HB ASP 27 -12.222 6.571 -4.702
35 2HB ASP 27 2HB ASP 27 -11.712 4.981 -5.299
36 H GLU 28 H GLU 28 -10.192 4.993 -1.646
37 HA GLU 28 HA GLU 28 -8.702 3.633 -0.516
38 1HB GLU 28 2HB GLU 28 -10.979 2.751 -1.089
39 2HB GLU 28 1HB GLU 28 -10.189 1.701 -2.281
40 1HG GLU 28 1HG GLU 28 -9.217 0.374 -0.610
41 2HG GLU 28 2HG GLU 28 -9.192 1.692 0.571
42 H CYS 29 H CYS 29 -7.138 4.661 -2.570
43 HA CYS 29 HA CYS 29 -5.166 4.275 -3.624
44 1HB CYS 29 1HB CYS 29 -3.775 3.523 -2.083
45 2HB CYS 29 2HB CYS 29 -5.190 3.136 -1.118
46 H ALA 30 H ALA 30 -7.667 2.690 -4.559
47 HA ALA 30 HA ALA 30 -6.462 0.366 -5.917
48 1HB ALA 30 1HB ALA 30 -8.650 0.157 -4.824
49 2HB ALA 30 2HB ALA 30 -9.306 1.454 -5.847
50 3HB ALA 30 3HB ALA 30 -8.782 -0.079 -6.580
51 H SER 31 H SER 31 -7.988 3.537 -6.670
52 HA SER 31 HA SER 31 -7.816 3.199 -9.511
53 1HB SER 31 2HB SER 31 -8.174 5.971 -8.680
54 2HB SER 31 1HB SER 31 -9.293 4.857 -9.440
55 HG SER 31 HG SER 31 -9.871 4.092 -7.403
56 H ARG 32 H ARG 32 -5.382 2.506 -9.237
57 HA ARG 32 HA ARG 32 -3.821 4.762 -10.245
58 1HB ARG 32 2HB ARG 32 -2.050 4.657 -8.641
59 2HB ARG 32 1HB ARG 32 -3.557 4.938 -7.777
60 1HG ARG 32 1HG ARG 32 -3.601 2.340 -7.408
61 2HG ARG 32 2HG ARG 32 -1.897 2.397 -7.907
62 1HD ARG 32 1HD ARG 32 -3.222 3.816 -5.584
63 2HD ARG 32 2HD ARG 32 -2.014 2.522 -5.484
64 HE ARG 32 HE ARG 32 -0.782 4.565 -6.941
65 1HH1 ARG 32 1HH2 ARG 32 -2.175 4.252 -3.734
66 2HH1 ARG 32 2HH2 ARG 32 -1.453 5.696 -3.085
67 1HH2 ARG 32 1HH1 ARG 32 0.306 6.297 -6.181
68 2HH2 ARG 32 2HH1 ARG 32 0.146 6.858 -4.523
69 H SER 33 H SER 33 -1.826 4.138 -11.230
70 HA SER 33 HA SER 33 -1.880 1.588 -12.550
71 1HB SER 33 2HB SER 33 0.315 2.725 -13.445
72 2HB SER 33 1HB SER 33 -1.251 3.470 -13.799
73 HG SER 33 HG SER 33 0.787 4.394 -12.214
74 H LYS 34 H LYS 34 -1.831 0.531 -10.271
75 HA LYS 34 HA LYS 34 0.406 0.366 -8.617
76 1HB LYS 34 1HB LYS 34 -1.516 -1.825 -9.492
77 2HB LYS 34 2HB LYS 34 -0.314 -2.014 -8.206
78 1HG LYS 34 2HG LYS 34 -1.334 -0.166 -6.929
79 2HG LYS 34 1HG LYS 34 -2.563 0.042 -8.199
80 1HD LYS 34 2HD LYS 34 -3.356 -2.253 -7.868
81 2HD LYS 34 1HD LYS 34 -2.122 -2.551 -6.631
82 1HE LYS 34 2HE LYS 34 -4.233 -0.358 -6.408
83 2HE LYS 34 1HE LYS 34 -4.446 -1.997 -5.764
84 1HZ LYS 34 3HZ LYS 34 -2.531 -1.674 -4.391
85 2HZ LYS 34 1HZ LYS 34 -2.305 -0.148 -4.958
86 3HZ LYS 34 2HZ LYS 34 -3.663 -0.504 -4.111
87 H SER 35 H SER 35 2.448 0.239 -9.353
88 HA SER 35 HA SER 35 4.288 -0.306 -10.599
89 1HB SER 35 1HB SER 35 3.129 -3.103 -10.361
90 2HB SER 35 2HB SER 35 4.824 -2.676 -10.656
91 HG SER 35 HG SER 35 3.289 -1.908 -8.386
92 H GLY 36 H GLY 36 2.329 0.757 -12.226
93 1HA GLY 36 1HA GLY 36 1.612 -0.828 -14.477
94 2HA GLY 36 2HA GLY 36 1.612 0.933 -14.386
95 H GLU 37 H GLU 37 3.979 -1.739 -14.629
96 HA GLU 37 HA GLU 37 5.867 -2.050 -15.825
97 1HB GLU 37 2HB GLU 37 4.306 -0.506 -17.947
98 2HB GLU 37 1HB GLU 37 5.802 -1.421 -18.233
99 1HG GLU 37 1HG GLU 37 4.678 -3.488 -17.428
100 2HG GLU 37 2HG GLU 37 3.183 -2.574 -17.165
101 H GLU 38 H GLU 38 5.532 1.059 -17.468
102 HA GLU 38 HA GLU 38 8.164 1.891 -16.419
103 1HB GLU 38 2HB GLU 38 6.273 3.208 -18.416
104 2HB GLU 38 1HB GLU 38 7.912 3.742 -18.018
105 1HG GLU 38 1HG GLU 38 8.820 1.565 -18.828
106 2HG GLU 38 2HG GLU 38 7.187 1.057 -19.290
107 H ASP 39 H ASP 39 6.659 1.668 -14.307
108 HA ASP 39 HA ASP 39 6.372 4.335 -13.224
109 1HB ASP 39 2HB ASP 39 4.233 4.284 -14.374
110 2HB ASP 39 1HB ASP 39 3.868 2.685 -13.710
111 HA PRO 40 HA PRO 40 7.386 0.829 -10.356
112 1HB PRO 40 2HB PRO 40 9.390 1.982 -8.928
113 2HB PRO 40 1HB PRO 40 9.624 1.380 -10.590
114 1HG PRO 40 1HG PRO 40 9.046 4.229 -9.740
115 2HG PRO 40 2HG PRO 40 10.349 3.657 -10.822
116 1HD PRO 40 2HD PRO 40 7.982 4.629 -11.757
117 2HD PRO 40 1HD PRO 40 8.816 3.288 -12.600
118 H GLN 41 H GLN 41 5.108 1.531 -9.851
119 HA GLN 41 HA GLN 41 4.882 3.001 -7.240
120 1HB GLN 41 1HB GLN 41 3.818 3.979 -9.250
121 2HB GLN 41 2HB GLN 41 2.939 2.449 -9.435
122 1HG GLN 41 1HG GLN 41 1.769 2.930 -7.234
123 2HG GLN 41 2HG GLN 41 2.776 4.373 -7.050
124 1HE2 GLN 41 1HE2 GLN 41 0.156 4.691 -10.215
125 2HE2 GLN 41 2HE2 GLN 41 1.228 3.320 -10.140
126 HA PRO 42 HA PRO 42 3.541 -1.401 -6.320
127 1HB PRO 42 2HB PRO 42 5.337 -2.054 -4.374
128 2HB PRO 42 1HB PRO 42 5.748 -2.107 -6.105
129 1HG PRO 42 2HG PRO 42 6.321 0.126 -4.140
130 2HG PRO 42 1HG PRO 42 7.470 -0.665 -5.259
131 1HD PRO 42 2HD PRO 42 6.218 1.694 -5.872
132 2HD PRO 42 1HD PRO 42 6.510 0.474 -7.151
133 H GLN 43 H GLN 43 2.183 0.906 -5.722
134 HA GLN 43 HA GLN 43 2.140 1.374 -2.820
135 1HB GLN 43 1HB GLN 43 0.657 2.649 -5.131
136 2HB GLN 43 2HB GLN 43 0.418 3.081 -3.431
137 1HG GLN 43 1HG GLN 43 3.099 3.270 -4.883
138 2HG GLN 43 2HG GLN 43 2.001 4.616 -4.564
139 1HE2 GLN 43 2HE2 GLN 43 4.256 3.055 -1.491
140 2HE2 GLN 43 1HE2 GLN 43 4.294 2.347 -3.095
141 H CYS 44 H CYS 44 1.706 -0.687 -2.336
142 HA CYS 44 HA CYS 44 0.353 -1.755 -0.871
143 1HB CYS 44 1HB CYS 44 -1.389 0.124 -1.092
144 2HB CYS 44 2HB CYS 44 -2.237 -0.999 -2.168
145 H GLN 45 H GLN 45 1.249 -3.545 -1.620
146 HA GLN 45 HA GLN 45 0.858 -4.865 -4.037
147 1HB GLN 45 1HB GLN 45 1.988 -5.442 -1.334
148 2HB GLN 45 2HB GLN 45 1.552 -6.831 -2.284
149 1HG GLN 45 2HG GLN 45 3.813 -6.293 -2.606
150 2HG GLN 45 1HG GLN 45 2.882 -6.308 -4.119
151 1HE2 GLN 45 1HE2 GLN 45 3.556 -2.547 -3.002
152 2HE2 GLN 45 2HE2 GLN 45 3.217 -3.657 -1.701
153 H HIS 46 H HIS 46 -1.094 -5.153 -1.052
154 HA HIS 46 HA HIS 46 -2.753 -7.226 -2.435
155 1HB HIS 46 1HB HIS 46 -2.151 -6.769 0.453
156 2HB HIS 46 2HB HIS 46 -3.487 -7.782 -0.115
157 HD2 HIS 46 HD2 HIS 46 -0.005 -8.211 -1.949
158 HE1 HIS 46 HE1 HIS 46 -0.820 -11.560 0.472
159 HE2 HIS 46 HE2 HIS 46 0.793 -10.586 -1.256
160 H LEU 47 H LEU 47 -3.784 -5.301 0.435
161 HA LEU 47 HA LEU 47 -5.545 -3.779 -1.359
162 1HB LEU 47 1HB LEU 47 -7.619 -4.468 -0.400
163 2HB LEU 47 2HB LEU 47 -6.796 -5.805 -1.171
164 HG LEU 47 HG LEU 47 -7.995 -6.497 0.775
165 1HD1 LEU 47 2HD2 LEU 47 -5.909 -7.706 0.184
166 2HD1 LEU 47 1HD2 LEU 47 -5.055 -6.768 1.434
167 3HD1 LEU 47 3HD2 LEU 47 -6.378 -7.845 1.888
168 1HD2 LEU 47 3HD1 LEU 47 -7.845 -4.376 2.082
169 2HD2 LEU 47 2HD1 LEU 47 -7.525 -5.845 3.026
170 3HD2 LEU 47 1HD1 LEU 47 -6.177 -4.819 2.513
171 H CYS 48 H CYS 48 -6.982 -2.278 -0.258
172 HA CYS 48 HA CYS 48 -5.619 -0.939 2.022
173 1HB CYS 48 2HB CYS 48 -6.437 0.018 -0.699
174 2HB CYS 48 1HB CYS 48 -6.562 1.155 0.644
175 H HIS 49 H HIS 49 -6.935 0.615 3.110
176 HA HIS 49 HA HIS 49 -9.899 0.348 2.861
177 1HB HIS 49 1HB HIS 49 -8.407 0.710 5.459
178 2HB HIS 49 2HB HIS 49 -10.122 0.383 5.212
179 HD2 HIS 49 HD2 HIS 49 -6.606 -1.431 4.957
180 HE1 HIS 49 HE1 HIS 49 -9.564 -4.222 6.123
181 HE2 HIS 49 HE2 HIS 49 -7.044 -3.821 5.884
182 H ASN 50 H ASN 50 -10.725 2.540 2.643
183 HA ASN 50 HA ASN 50 -8.781 4.726 2.940
184 1HB ASN 50 1HB ASN 50 -11.727 4.938 2.456
185 2HB ASN 50 2HB ASN 50 -10.695 6.306 2.668
186 1HD2 ASN 50 2HD2 ASN 50 -8.989 6.056 -0.464
187 2HD2 ASN 50 1HD2 ASN 50 -8.604 6.148 1.244
188 H TYR 51 H TYR 51 -9.210 6.576 4.269
189 HA TYR 51 HA TYR 51 -10.789 6.596 6.585
190 1HB TYR 51 1HB TYR 51 -9.402 6.089 8.373
191 2HB TYR 51 2HB TYR 51 -9.170 4.725 7.308
192 HD1 TYR 51 HD2 TYR 51 -7.136 6.423 5.447
193 HD2 TYR 51 HD1 TYR 51 -7.421 5.560 9.651
194 HE1 TYR 51 HE2 TYR 51 -4.720 6.813 5.672
195 HE2 TYR 51 HE1 TYR 51 -4.979 5.920 9.871
196 HH TYR 51 HH TYR 51 -2.924 6.854 7.108
197 H VAL 52 H VAL 52 -9.698 8.375 8.235
198 HA VAL 52 HA VAL 52 -9.345 10.713 6.753
199 HB VAL 52 HB VAL 52 -10.146 10.486 9.107
200 1HG1 VAL 52 3HG2 VAL 52 -8.435 8.804 9.901
201 2HG1 VAL 52 2HG2 VAL 52 -7.219 10.096 9.885
202 3HG1 VAL 52 1HG2 VAL 52 -8.618 10.210 10.962
203 1HG2 VAL 52 3HG1 VAL 52 -9.385 12.621 8.204
204 2HG2 VAL 52 1HG1 VAL 52 -9.065 12.479 9.950
205 3HG2 VAL 52 2HG1 VAL 52 -7.731 12.286 8.783
206 H GLY 53 H GLY 53 -7.541 11.718 5.928
207 1HA GLY 53 1HA GLY 53 -5.235 12.124 5.663
208 2HA GLY 53 2HA GLY 53 -4.829 10.632 6.516
209 H GLY 54 H GLY 54 -7.038 9.197 4.777
210 1HA GLY 54 1HA GLY 54 -6.903 9.233 2.174
211 2HA GLY 54 2HA GLY 54 -5.237 8.733 2.420
212 H TYR 55 H TYR 55 -4.808 6.706 3.274
213 HA TYR 55 HA TYR 55 -6.861 4.802 3.928
214 1HB TYR 55 2HB TYR 55 -6.131 3.239 1.971
215 2HB TYR 55 1HB TYR 55 -7.220 4.537 1.548
216 HD1 TYR 55 HD2 TYR 55 -3.704 3.443 1.366
217 HD2 TYR 55 HD1 TYR 55 -6.653 6.262 0.023
218 HE1 TYR 55 HE2 TYR 55 -2.024 4.485 -0.109
219 HE2 TYR 55 HE1 TYR 55 -5.011 7.340 -1.404
220 HH TYR 55 HH TYR 55 -2.786 7.384 -2.096
221 H PHE 56 H PHE 56 -6.026 2.705 4.434
222 HA PHE 56 HA PHE 56 -3.101 2.600 4.948
223 1HB PHE 56 2HB PHE 56 -3.464 1.546 7.075
224 2HB PHE 56 1HB PHE 56 -4.202 3.138 7.065
225 HD1 PHE 56 HD1 PHE 56 -6.707 3.366 6.983
226 HD2 PHE 56 HD2 PHE 56 -4.789 -0.480 7.353
227 HE1 PHE 56 HE1 PHE 56 -8.787 2.416 7.949
228 HE2 PHE 56 HE2 PHE 56 -6.883 -1.433 8.260
229 HZ PHE 56 HZ PHE 56 -8.878 0.016 8.588
230 H CYS 57 H CYS 57 -2.254 0.438 4.799
231 HA CYS 57 HA CYS 57 -3.822 -1.283 2.990
232 1HB CYS 57 1HB CYS 57 -0.936 -1.341 3.861
233 2HB CYS 57 2HB CYS 57 -1.634 -2.569 2.836
234 H SER 58 H SER 58 -3.489 -3.578 3.183
235 HA SER 58 HA SER 58 -2.891 -4.904 5.644
236 1HB SER 58 1HB SER 58 -5.779 -5.006 4.671
237 2HB SER 58 2HB SER 58 -5.084 -6.043 5.917
238 HG SER 58 HG SER 58 -4.622 -3.424 6.472
239 H CYS 59 H CYS 59 -3.430 -7.391 5.115
240 HA CYS 59 HA CYS 59 -2.866 -7.821 2.214
241 1HB CYS 59 2HB CYS 59 -1.588 -9.397 4.472
242 2HB CYS 59 1HB CYS 59 -1.155 -9.379 2.777
243 H ARG 60 H ARG 60 -3.173 -10.015 1.516
244 HA ARG 60 HA ARG 60 -5.622 -11.238 2.444
245 1HB ARG 60 1HB ARG 60 -3.425 -12.090 0.494
246 2HB ARG 60 2HB ARG 60 -4.894 -13.031 0.779
247 1HG ARG 60 1HG ARG 60 -6.303 -11.232 0.036
248 2HG ARG 60 2HG ARG 60 -4.943 -10.114 -0.136
249 1HD ARG 60 2HD ARG 60 -5.035 -12.724 -1.685
250 2HD ARG 60 1HD ARG 60 -5.913 -11.320 -2.265
251 HE ARG 60 HE ARG 60 -3.028 -11.744 -2.270
252 1HH1 ARG 60 2HH1 ARG 60 -5.524 -9.247 -2.301
253 2HH1 ARG 60 1HH1 ARG 60 -4.612 -8.130 -3.280
254 1HH2 ARG 60 1HH2 ARG 60 -1.812 -10.305 -3.548
255 2HH2 ARG 60 2HH2 ARG 60 -2.421 -8.726 -3.953
256 HA PRO 61 HA PRO 61 -3.891 -13.667 5.691
257 1HB PRO 61 1HB PRO 61 -5.063 -16.158 4.532
258 2HB PRO 61 2HB PRO 61 -5.225 -15.531 6.191
259 1HG PRO 61 1HG PRO 61 -7.299 -15.254 4.435
260 2HG PRO 61 2HG PRO 61 -6.854 -13.928 5.548
261 1HD PRO 61 2HD PRO 61 -6.171 -14.199 2.619
262 2HD PRO 61 1HD PRO 61 -6.718 -12.768 3.543
263 H GLY 62 H GLY 62 -2.199 -15.128 6.152
264 1HA GLY 62 2HA GLY 62 -0.370 -16.485 5.721
265 2HA GLY 62 1HA GLY 62 -0.804 -16.587 4.010
266 H TYR 63 H TYR 63 -0.882 -13.301 4.683
267 HA TYR 63 HA TYR 63 1.993 -12.899 4.342
268 1HB TYR 63 2HB TYR 63 -0.150 -11.416 2.767
269 2HB TYR 63 1HB TYR 63 1.555 -11.071 2.767
270 HD1 TYR 63 HD2 TYR 63 -0.858 -13.862 2.026
271 HD2 TYR 63 HD1 TYR 63 2.854 -11.929 1.008
272 HE1 TYR 63 HE2 TYR 63 -0.715 -15.224 -0.024
273 HE2 TYR 63 HE1 TYR 63 2.973 -13.252 -1.063
274 HH TYR 63 HH TYR 63 1.999 -14.916 -2.338
275 H GLU 64 H GLU 64 2.713 -10.782 5.014
276 HA GLU 64 HA GLU 64 1.030 -9.608 7.173
277 1HB GLU 64 2HB GLU 64 4.047 -10.070 7.284
278 2HB GLU 64 1HB GLU 64 3.005 -9.444 8.565
279 1HG GLU 64 1HG GLU 64 3.065 -12.284 7.437
280 2HG GLU 64 2HG GLU 64 3.592 -11.757 9.035
281 H LEU 65 H LEU 65 1.405 -7.369 7.421
282 HA LEU 65 HA LEU 65 2.301 -6.026 4.952
283 1HB LEU 65 2HB LEU 65 0.009 -5.744 5.936
284 2HB LEU 65 1HB LEU 65 0.702 -5.101 7.399
285 HG LEU 65 HG LEU 65 -0.361 -3.606 5.526
286 1HD1 LEU 65 2HD2 LEU 65 0.591 -2.820 7.637
287 2HD1 LEU 65 3HD2 LEU 65 2.206 -2.772 6.895
288 3HD1 LEU 65 1HD2 LEU 65 0.902 -1.711 6.295
289 1HD2 LEU 65 3HD1 LEU 65 1.141 -4.380 3.678
290 2HD2 LEU 65 1HD1 LEU 65 1.151 -2.633 3.929
291 3HD2 LEU 65 2HD1 LEU 65 2.508 -3.605 4.516
292 H GLN 66 H GLN 66 4.478 -5.523 5.005
293 HA GLN 66 HA GLN 66 5.853 -5.295 7.559
294 1HB GLN 66 2HB GLN 66 6.843 -4.854 4.736
295 2HB GLN 66 1HB GLN 66 7.864 -4.771 6.161
296 1HG GLN 66 1HG GLN 66 8.126 -6.952 5.178
297 2HG GLN 66 2HG GLN 66 7.352 -7.094 6.762
298 1HE2 GLN 66 2HE2 GLN 66 4.827 -9.073 5.282
299 2HE2 GLN 66 1HE2 GLN 66 6.258 -9.144 6.331
300 H GLU 67 H GLU 67 7.430 -3.533 7.854
301 HA GLU 67 HA GLU 67 6.110 -1.294 8.781
302 1HB GLU 67 1HB GLU 67 9.092 -1.413 8.148
303 2HB GLU 67 2HB GLU 67 8.269 -0.360 9.298
304 1HG GLU 67 2HG GLU 67 9.025 -1.935 10.760
305 2HG GLU 67 1HG GLU 67 7.462 -2.663 10.387
306 H ASP 68 H ASP 68 7.194 -1.681 5.563
307 HA ASP 68 HA ASP 68 7.520 1.169 4.926
308 1HB ASP 68 1HB ASP 68 7.742 0.401 2.628
309 2HB ASP 68 2HB ASP 68 8.768 -0.589 3.682
310 H ARG 69 H ARG 69 4.951 -1.043 5.379
311 HA ARG 69 HA ARG 69 2.825 -1.026 5.276
312 1HB ARG 69 1HB ARG 69 1.659 0.875 5.740
313 2HB ARG 69 2HB ARG 69 3.239 1.074 6.477
314 1HG ARG 69 1HG ARG 69 3.716 2.952 5.283
315 2HG ARG 69 2HG ARG 69 3.074 2.306 3.768
316 1HD ARG 69 2HD ARG 69 1.275 3.306 5.984
317 2HD ARG 69 1HD ARG 69 1.852 4.288 4.617
318 HE ARG 69 HE ARG 69 0.762 1.853 3.613
319 1HH1 ARG 69 1HH1 ARG 69 -0.333 4.851 5.172
320 2HH1 ARG 69 2HH1 ARG 69 -1.888 4.846 4.356
321 1HH2 ARG 69 1HH2 ARG 69 -1.240 1.965 2.455
322 2HH2 ARG 69 2HH2 ARG 69 -2.360 3.264 2.812
323 H HIS 70 H HIS 70 4.282 -0.899 2.549
324 HA HIS 70 HA HIS 70 1.720 -0.868 0.977
325 1HB HIS 70 2HB HIS 70 4.513 -0.085 0.069
326 2HB HIS 70 1HB HIS 70 3.079 -0.170 -0.949
327 HD2 HIS 70 HD2 HIS 70 0.958 1.464 0.929
328 HE1 HIS 70 HE1 HIS 70 3.853 4.544 0.858
329 HE2 HIS 70 HE2 HIS 70 1.418 3.997 1.391
330 H SER 71 H SER 71 4.711 -2.500 1.793
331 HA SER 71 HA SER 71 4.359 -4.583 -0.259
332 1HB SER 71 1HB SER 71 6.379 -4.442 1.994
333 2HB SER 71 2HB SER 71 6.434 -5.458 0.549
334 HG SER 71 HG SER 71 6.505 -2.610 0.608
335 H CYS 72 H CYS 72 3.346 -6.484 0.079
336 HA CYS 72 HA CYS 72 2.707 -7.341 2.880
337 1HB CYS 72 2HB CYS 72 1.214 -7.720 0.283
338 2HB CYS 72 1HB CYS 72 0.971 -8.758 1.671
339 H GLN 73 H GLN 73 4.603 -8.559 3.209
340 HA GLN 73 HA GLN 73 5.422 -10.520 1.077
341 1HB GLN 73 1HB GLN 73 6.680 -9.986 3.736
342 2HB GLN 73 2HB GLN 73 7.379 -10.949 2.447
343 1HG GLN 73 2HG GLN 73 7.735 -9.001 1.060
344 2HG GLN 73 1HG GLN 73 6.928 -7.948 2.221
345 1HE2 GLN 73 2HE2 GLN 73 10.075 -9.157 4.349
346 2HE2 GLN 73 1HE2 GLN 73 8.609 -10.098 4.284
347 H ALA 74 H ALA 74 6.006 -12.673 1.949
348 HA ALA 74 HA ALA 74 3.867 -13.772 3.724
349 1HB ALA 74 1HB ALA 74 5.901 -15.154 1.972
350 2HB ALA 74 2HB ALA 74 4.643 -15.931 2.977
351 3HB ALA 74 3HB ALA 74 4.171 -14.891 1.614
352 H GLU 75 H GLU 75 4.951 -12.308 5.143
353 HA GLU 75 HA GLU 75 5.744 -12.292 7.360
354 1HB GLU 75 1HB GLU 75 8.032 -14.078 6.432
355 2HB GLU 75 2HB GLU 75 7.887 -13.300 8.000
356 1HG GLU 75 1HG GLU 75 5.798 -14.495 8.496
357 2HG GLU 75 2HG GLU 75 5.850 -15.305 6.926
No H/Q in entry = 357
Start of MODEL 15
1 1H ALA 23 1H ALA 23 0.014 16.566 -5.496
2 2H ALA 23 2H ALA 23 1.197 17.310 -4.589
3 3H ALA 23 3H ALA 23 -0.027 16.395 -3.896
4 HA ALA 23 HA ALA 23 -0.709 18.537 -3.477
5 1HB ALA 23 3HB ALA 23 -0.143 19.066 -6.429
6 2HB ALA 23 1HB ALA 23 -0.909 20.201 -5.297
7 3HB ALA 23 2HB ALA 23 0.775 19.701 -5.046
8 H VAL 24 H VAL 24 -2.786 17.910 -3.059
9 HA VAL 24 HA VAL 24 -4.786 16.933 -3.255
10 HB VAL 24 HB VAL 24 -6.310 17.911 -4.865
11 1HG1 VAL 24 3HG1 VAL 24 -5.678 19.128 -2.814
12 2HG1 VAL 24 1HG1 VAL 24 -4.381 19.959 -3.701
13 3HG1 VAL 24 2HG1 VAL 24 -6.077 20.225 -4.147
14 1HG2 VAL 24 3HG2 VAL 24 -4.798 18.025 -6.877
15 2HG2 VAL 24 2HG2 VAL 24 -5.671 19.523 -6.528
16 3HG2 VAL 24 1HG2 VAL 24 -3.958 19.395 -6.112
17 H ASP 25 H ASP 25 -2.699 15.221 -4.259
18 HA ASP 25 HA ASP 25 -3.870 13.761 -6.543
19 1HB ASP 25 1HB ASP 25 -1.600 13.109 -4.636
20 2HB ASP 25 2HB ASP 25 -2.068 12.126 -6.024
21 H LEU 26 H LEU 26 -5.949 13.896 -5.215
22 HA LEU 26 HA LEU 26 -6.209 12.297 -2.841
23 1HB LEU 26 1HB LEU 26 -8.390 13.301 -4.712
24 2HB LEU 26 2HB LEU 26 -8.588 12.757 -3.043
25 HG LEU 26 HG LEU 26 -7.184 15.285 -4.005
26 1HD1 LEU 26 1HD2 LEU 26 -9.652 15.328 -3.929
27 2HD1 LEU 26 3HD2 LEU 26 -9.608 14.833 -2.223
28 3HD1 LEU 26 2HD2 LEU 26 -8.934 16.401 -2.714
29 1HD2 LEU 26 1HD1 LEU 26 -7.337 14.078 -1.224
30 2HD2 LEU 26 3HD1 LEU 26 -5.855 14.457 -2.132
31 3HD2 LEU 26 2HD1 LEU 26 -6.884 15.768 -1.544
32 H ASP 27 H ASP 27 -7.231 10.421 -2.489
33 HA ASP 27 HA ASP 27 -7.768 8.307 -2.742
34 1HB ASP 27 1HB ASP 27 -9.494 9.369 -4.953
35 2HB ASP 27 2HB ASP 27 -9.593 7.766 -4.184
36 H GLU 28 H GLU 28 -5.358 8.350 -3.478
37 HA GLU 28 HA GLU 28 -4.597 6.837 -5.796
38 1HB GLU 28 2HB GLU 28 -2.951 7.579 -4.178
39 2HB GLU 28 1HB GLU 28 -3.835 6.918 -2.826
40 1HG GLU 28 1HG GLU 28 -3.228 4.600 -4.244
41 2HG GLU 28 2HG GLU 28 -1.864 5.665 -4.595
42 H CYS 29 H CYS 29 -5.506 5.973 -2.659
43 HA CYS 29 HA CYS 29 -7.856 4.421 -2.926
44 1HB CYS 29 1HB CYS 29 -7.035 2.406 -1.878
45 2HB CYS 29 2HB CYS 29 -6.334 2.579 -3.490
46 H ALA 30 H ALA 30 -7.025 6.824 -1.952
47 HA ALA 30 HA ALA 30 -7.012 6.666 0.964
48 1HB ALA 30 3HB ALA 30 -4.612 6.459 0.054
49 2HB ALA 30 2HB ALA 30 -4.823 8.036 -0.698
50 3HB ALA 30 1HB ALA 30 -4.878 7.900 1.073
51 H SER 31 H SER 31 -8.633 7.939 1.417
52 HA SER 31 HA SER 31 -9.279 10.349 -0.101
53 1HB SER 31 2HB SER 31 -10.394 9.359 2.550
54 2HB SER 31 1HB SER 31 -11.149 10.491 1.409
55 HG SER 31 HG SER 31 -10.970 8.695 -0.166
56 H ARG 32 H ARG 32 -6.864 10.907 0.341
57 HA ARG 32 HA ARG 32 -5.977 11.961 2.820
58 1HB ARG 32 2HB ARG 32 -5.121 12.477 -0.051
59 2HB ARG 32 1HB ARG 32 -4.334 13.215 1.357
60 1HG ARG 32 1HG ARG 32 -3.890 10.996 2.323
61 2HG ARG 32 2HG ARG 32 -4.600 10.214 0.894
62 1HD ARG 32 2HD ARG 32 -2.285 12.174 0.704
63 2HD ARG 32 1HD ARG 32 -2.018 10.481 1.040
64 HE ARG 32 HE ARG 32 -3.167 11.662 -1.458
65 1HH1 ARG 32 1HH2 ARG 32 -1.960 8.715 0.153
66 2HH1 ARG 32 2HH2 ARG 32 -1.566 7.920 -1.340
67 1HH2 ARG 32 2HH1 ARG 32 -2.720 10.595 -3.371
68 2HH2 ARG 32 1HH1 ARG 32 -1.834 9.072 -3.342
69 H SER 33 H SER 33 -7.829 13.057 3.593
70 HA SER 33 HA SER 33 -9.018 15.278 2.443
71 1HB SER 33 1HB SER 33 -8.898 15.043 5.430
72 2HB SER 33 2HB SER 33 -10.291 15.233 4.360
73 HG SER 33 HG SER 33 -9.702 12.920 3.715
74 H LYS 34 H LYS 34 -6.043 15.696 2.461
75 HA LYS 34 HA LYS 34 -5.840 18.417 2.919
76 1HB LYS 34 2HB LYS 34 -4.207 18.387 4.851
77 2HB LYS 34 1HB LYS 34 -5.885 18.110 5.307
78 1HG LYS 34 1HG LYS 34 -5.462 15.660 5.443
79 2HG LYS 34 2HG LYS 34 -3.771 15.926 4.983
80 1HD LYS 34 1HD LYS 34 -3.446 17.332 7.003
81 2HD LYS 34 2HD LYS 34 -5.147 17.082 7.449
82 1HE LYS 34 2HE LYS 34 -4.747 14.628 7.598
83 2HE LYS 34 1HE LYS 34 -3.047 14.877 7.155
84 1HZ LYS 34 1HZ LYS 34 -4.372 15.952 9.546
85 2HZ LYS 34 3HZ LYS 34 -3.335 14.672 9.503
86 3HZ LYS 34 2HZ LYS 34 -2.792 16.184 9.137
87 H SER 35 H SER 35 -3.898 19.083 2.001
88 HA SER 35 HA SER 35 -2.050 19.095 0.789
89 1HB SER 35 1HB SER 35 -0.167 17.793 1.402
90 2HB SER 35 2HB SER 35 -1.048 18.212 2.870
91 HG SER 35 HG SER 35 -1.988 16.057 2.732
92 H GLY 36 H GLY 36 -2.745 15.678 0.860
93 1HA GLY 36 2HA GLY 36 -2.975 14.066 -0.830
94 2HA GLY 36 1HA GLY 36 -3.502 15.377 -1.901
95 H GLU 37 H GLU 37 -0.500 14.325 -0.225
96 HA GLU 37 HA GLU 37 1.308 15.502 -2.068
97 1HB GLU 37 1HB GLU 37 1.699 13.158 -0.154
98 2HB GLU 37 2HB GLU 37 3.005 14.044 -0.952
99 1HG GLU 37 2HG GLU 37 1.015 15.274 1.016
100 2HG GLU 37 1HG GLU 37 2.681 14.814 1.361
101 H GLU 38 H GLU 38 2.966 14.288 -3.304
102 HA GLU 38 HA GLU 38 1.660 12.988 -5.498
103 1HB GLU 38 2HB GLU 38 4.621 13.415 -4.901
104 2HB GLU 38 1HB GLU 38 3.932 12.888 -6.431
105 1HG GLU 38 2HG GLU 38 4.405 15.209 -6.653
106 2HG GLU 38 1HG GLU 38 2.649 15.024 -6.603
107 H ASP 39 H ASP 39 0.792 11.247 -3.987
108 HA ASP 39 HA ASP 39 2.547 8.817 -4.159
109 1HB ASP 39 2HB ASP 39 2.356 9.763 -1.859
110 2HB ASP 39 1HB ASP 39 0.598 9.617 -1.952
111 HA PRO 40 HA PRO 40 -1.672 8.205 -6.159
112 1HB PRO 40 1HB PRO 40 -1.151 8.251 -8.810
113 2HB PRO 40 2HB PRO 40 -1.242 9.765 -7.867
114 1HG PRO 40 1HG PRO 40 1.273 8.203 -8.573
115 2HG PRO 40 2HG PRO 40 0.945 9.932 -8.886
116 1HD PRO 40 2HD PRO 40 2.298 9.123 -6.653
117 2HD PRO 40 1HD PRO 40 1.124 10.478 -6.627
118 H GLN 41 H GLN 41 -2.408 6.364 -7.401
119 HA GLN 41 HA GLN 41 -2.530 4.288 -8.178
120 1HB GLN 41 2HB GLN 41 0.423 3.912 -8.056
121 2HB GLN 41 1HB GLN 41 -0.719 3.021 -9.020
122 1HG GLN 41 2HG GLN 41 -0.803 4.550 -10.700
123 2HG GLN 41 1HG GLN 41 -0.676 5.953 -9.650
124 1HE2 GLN 41 2HE2 GLN 41 2.979 5.693 -9.405
125 2HE2 GLN 41 1HE2 GLN 41 1.618 5.769 -8.284
126 HA PRO 42 HA PRO 42 -2.576 2.267 -4.120
127 1HB PRO 42 2HB PRO 42 -3.024 -0.202 -5.810
128 2HB PRO 42 1HB PRO 42 -3.839 0.288 -4.300
129 1HG PRO 42 2HG PRO 42 -5.051 0.721 -6.677
130 2HG PRO 42 1HG PRO 42 -5.026 2.038 -5.467
131 1HD PRO 42 2HD PRO 42 -3.198 1.684 -7.860
132 2HD PRO 42 1HD PRO 42 -4.050 3.150 -7.292
133 H GLN 43 H GLN 43 -0.364 2.483 -3.478
134 HA GLN 43 HA GLN 43 1.688 0.832 -4.698
135 1HB GLN 43 1HB GLN 43 1.959 2.306 -2.081
136 2HB GLN 43 2HB GLN 43 3.212 1.747 -3.172
137 1HG GLN 43 1HG GLN 43 3.223 3.890 -3.869
138 2HG GLN 43 2HG GLN 43 1.913 3.346 -4.917
139 1HE2 GLN 43 1HE2 GLN 43 0.277 6.267 -3.586
140 2HE2 GLN 43 2HE2 GLN 43 0.911 5.449 -5.009
141 H CYS 44 H CYS 44 -0.599 0.236 -2.190
142 HA CYS 44 HA CYS 44 0.959 -1.647 -0.668
143 1HB CYS 44 1HB CYS 44 -2.010 -1.053 -0.820
144 2HB CYS 44 2HB CYS 44 -1.308 -2.270 0.256
145 H GLN 45 H GLN 45 1.440 -3.686 -1.123
146 HA GLN 45 HA GLN 45 1.291 -4.920 -3.411
147 1HB GLN 45 2HB GLN 45 2.331 -5.612 -1.106
148 2HB GLN 45 1HB GLN 45 0.903 -6.643 -0.951
149 1HG GLN 45 1HG GLN 45 1.518 -7.606 -3.247
150 2HG GLN 45 2HG GLN 45 2.973 -6.596 -3.174
151 1HE2 GLN 45 2HE2 GLN 45 4.552 -8.639 -0.644
152 2HE2 GLN 45 1HE2 GLN 45 4.603 -7.088 -1.490
153 H HIS 46 H HIS 46 -1.331 -5.615 -0.992
154 HA HIS 46 HA HIS 46 -2.875 -6.907 -3.229
155 1HB HIS 46 1HB HIS 46 -3.236 -7.290 -0.283
156 2HB HIS 46 2HB HIS 46 -4.142 -8.089 -1.560
157 HD2 HIS 46 HD2 HIS 46 -0.638 -8.383 -2.754
158 HE1 HIS 46 HE1 HIS 46 -0.694 -11.010 0.523
159 HE2 HIS 46 HE2 HIS 46 0.720 -10.139 -1.412
160 H LEU 47 H LEU 47 -3.807 -5.326 -0.083
161 HA LEU 47 HA LEU 47 -5.578 -3.558 -1.685
162 1HB LEU 47 1HB LEU 47 -7.530 -4.251 -0.290
163 2HB LEU 47 2HB LEU 47 -6.907 -5.430 -1.434
164 HG LEU 47 HG LEU 47 -5.634 -6.502 0.577
165 1HD1 LEU 47 3HD1 LEU 47 -7.737 -4.853 2.042
166 2HD1 LEU 47 2HD1 LEU 47 -6.827 -6.217 2.733
167 3HD1 LEU 47 1HD1 LEU 47 -5.978 -4.743 2.263
168 1HD2 LEU 47 3HD2 LEU 47 -8.663 -6.609 0.398
169 2HD2 LEU 47 1HD2 LEU 47 -7.517 -7.533 -0.599
170 3HD2 LEU 47 2HD2 LEU 47 -7.606 -7.829 1.143
171 H CYS 48 H CYS 48 -6.532 -1.856 -0.713
172 HA CYS 48 HA CYS 48 -5.061 -0.698 1.617
173 1HB CYS 48 2HB CYS 48 -6.718 0.777 -0.424
174 2HB CYS 48 1HB CYS 48 -5.558 1.448 0.712
175 H HIS 49 H HIS 49 -6.478 0.958 2.713
176 HA HIS 49 HA HIS 49 -9.400 0.615 2.534
177 1HB HIS 49 1HB HIS 49 -7.776 0.390 5.086
178 2HB HIS 49 2HB HIS 49 -9.534 0.658 4.981
179 HD2 HIS 49 HD2 HIS 49 -6.911 -2.215 4.608
180 HE1 HIS 49 HE1 HIS 49 -10.784 -3.877 4.187
181 HE2 HIS 49 HE2 HIS 49 -8.306 -4.435 4.386
182 H ASN 50 H ASN 50 -10.055 2.659 2.222
183 HA ASN 50 HA ASN 50 -8.271 4.923 2.702
184 1HB ASN 50 1HB ASN 50 -11.188 5.178 1.989
185 2HB ASN 50 2HB ASN 50 -9.873 6.287 1.668
186 1HD2 ASN 50 2HD2 ASN 50 -9.952 5.125 -1.669
187 2HD2 ASN 50 1HD2 ASN 50 -9.994 6.500 -0.583
188 H TYR 51 H TYR 51 -8.941 6.787 4.042
189 HA TYR 51 HA TYR 51 -11.240 6.721 5.694
190 1HB TYR 51 1HB TYR 51 -10.502 6.308 7.819
191 2HB TYR 51 2HB TYR 51 -9.693 5.031 6.939
192 HD1 TYR 51 HD1 TYR 51 -7.258 6.055 5.923
193 HD2 TYR 51 HD2 TYR 51 -9.228 7.082 9.606
194 HE1 TYR 51 HE1 TYR 51 -5.091 6.817 6.868
195 HE2 TYR 51 HE2 TYR 51 -7.064 7.814 10.558
196 HH TYR 51 HH TYR 51 -4.023 7.718 8.684
197 H VAL 52 H VAL 52 -11.024 8.690 7.387
198 HA VAL 52 HA VAL 52 -10.393 10.941 5.877
199 HB VAL 52 HB VAL 52 -11.979 10.780 7.797
200 1HG1 VAL 52 1HG1 VAL 52 -10.560 9.412 9.355
201 2HG1 VAL 52 3HG1 VAL 52 -9.518 10.827 9.606
202 3HG1 VAL 52 2HG1 VAL 52 -11.215 10.877 10.102
203 1HG2 VAL 52 2HG2 VAL 52 -11.154 12.929 6.984
204 2HG2 VAL 52 1HG2 VAL 52 -11.508 12.957 8.729
205 3HG2 VAL 52 3HG2 VAL 52 -9.817 12.870 8.165
206 H GLY 53 H GLY 53 -8.592 12.213 5.691
207 1HA GLY 53 2HA GLY 53 -6.411 12.919 6.099
208 2HA GLY 53 1HA GLY 53 -6.200 11.686 7.346
209 H GLY 54 H GLY 54 -7.339 9.624 5.107
210 1HA GLY 54 2HA GLY 54 -5.861 9.531 2.880
211 2HA GLY 54 1HA GLY 54 -4.603 9.118 4.042
212 H TYR 55 H TYR 55 -4.291 7.008 4.460
213 HA TYR 55 HA TYR 55 -6.407 5.047 4.149
214 1HB TYR 55 2HB TYR 55 -5.403 3.786 2.417
215 2HB TYR 55 1HB TYR 55 -5.639 5.398 1.836
216 HD1 TYR 55 HD1 TYR 55 -3.213 6.936 2.517
217 HD2 TYR 55 HD2 TYR 55 -3.694 2.886 1.107
218 HE1 TYR 55 HE1 TYR 55 -0.885 6.923 1.748
219 HE2 TYR 55 HE2 TYR 55 -1.377 2.921 0.269
220 HH TYR 55 HH TYR 55 0.395 5.009 -0.409
221 H PHE 56 H PHE 56 -5.631 2.890 4.461
222 HA PHE 56 HA PHE 56 -3.036 2.414 5.689
223 1HB PHE 56 2HB PHE 56 -3.934 1.178 7.555
224 2HB PHE 56 1HB PHE 56 -4.468 2.842 7.643
225 HD1 PHE 56 HD2 PHE 56 -6.864 3.433 6.996
226 HD2 PHE 56 HD1 PHE 56 -5.530 -0.649 7.437
227 HE1 PHE 56 HE2 PHE 56 -9.196 2.707 7.391
228 HE2 PHE 56 HE1 PHE 56 -7.857 -1.352 7.907
229 HZ PHE 56 HZ PHE 56 -9.690 0.326 7.923
230 H CYS 57 H CYS 57 -3.091 -0.292 5.834
231 HA CYS 57 HA CYS 57 -4.604 -1.350 3.548
232 1HB CYS 57 2HB CYS 57 -1.554 -1.202 3.677
233 2HB CYS 57 1HB CYS 57 -2.444 -2.123 2.481
234 H SER 58 H SER 58 -3.855 -3.632 3.080
235 HA SER 58 HA SER 58 -2.796 -5.170 5.247
236 1HB SER 58 2HB SER 58 -5.013 -4.786 6.225
237 2HB SER 58 1HB SER 58 -5.796 -5.433 4.768
238 HG SER 58 HG SER 58 -5.537 -6.970 6.507
239 H CYS 59 H CYS 59 -3.763 -7.565 4.589
240 HA CYS 59 HA CYS 59 -3.472 -7.974 1.696
241 1HB CYS 59 1HB CYS 59 -1.239 -8.580 3.641
242 2HB CYS 59 2HB CYS 59 -1.486 -9.665 2.320
243 H ARG 60 H ARG 60 -3.332 -10.344 1.228
244 HA ARG 60 HA ARG 60 -5.624 -11.687 2.292
245 1HB ARG 60 2HB ARG 60 -3.170 -12.630 0.741
246 2HB ARG 60 1HB ARG 60 -4.538 -13.690 1.080
247 1HG ARG 60 2HG ARG 60 -6.070 -12.277 -0.154
248 2HG ARG 60 1HG ARG 60 -4.838 -11.031 -0.403
249 1HD ARG 60 2HD ARG 60 -4.612 -13.886 -1.404
250 2HD ARG 60 1HD ARG 60 -5.202 -12.534 -2.391
251 HE ARG 60 HE ARG 60 -2.906 -11.466 -1.637
252 1HH1 ARG 60 2HH1 ARG 60 -3.445 -14.795 -2.754
253 2HH1 ARG 60 1HH1 ARG 60 -1.853 -14.950 -3.441
254 1HH2 ARG 60 2HH2 ARG 60 -0.897 -11.650 -2.655
255 2HH2 ARG 60 1HH2 ARG 60 -0.293 -13.220 -3.130
256 HA PRO 61 HA PRO 61 -4.066 -13.392 6.048
257 1HB PRO 61 1HB PRO 61 -4.920 -16.071 5.992
258 2HB PRO 61 2HB PRO 61 -5.871 -14.656 6.502
259 1HG PRO 61 2HG PRO 61 -5.796 -16.019 3.794
260 2HG PRO 61 1HG PRO 61 -7.241 -15.461 4.688
261 1HD PRO 61 2HD PRO 61 -6.198 -14.010 2.659
262 2HD PRO 61 1HD PRO 61 -6.781 -13.180 4.129
263 H GLY 62 H GLY 62 -2.477 -14.835 6.941
264 1HA GLY 62 1HA GLY 62 -0.562 -16.186 6.863
265 2HA GLY 62 2HA GLY 62 -0.780 -16.438 5.126
266 H TYR 63 H TYR 63 -0.889 -13.858 4.116
267 HA TYR 63 HA TYR 63 1.857 -13.160 4.099
268 1HB TYR 63 2HB TYR 63 -0.614 -11.726 3.057
269 2HB TYR 63 1HB TYR 63 0.971 -11.063 2.896
270 HD1 TYR 63 HD2 TYR 63 -0.922 -14.203 2.055
271 HD2 TYR 63 HD1 TYR 63 2.234 -11.464 0.973
272 HE1 TYR 63 HE2 TYR 63 -0.707 -15.313 -0.131
273 HE2 TYR 63 HE1 TYR 63 2.379 -12.523 -1.251
274 HH TYR 63 HH TYR 63 0.498 -15.418 -2.106
275 H GLU 64 H GLU 64 2.850 -11.133 4.750
276 HA GLU 64 HA GLU 64 1.595 -9.893 7.198
277 1HB GLU 64 2HB GLU 64 4.489 -10.793 7.011
278 2HB GLU 64 1HB GLU 64 3.669 -10.029 8.380
279 1HG GLU 64 2HG GLU 64 2.107 -12.003 8.487
280 2HG GLU 64 1HG GLU 64 3.095 -12.798 7.252
281 H LEU 65 H LEU 65 1.227 -7.875 6.560
282 HA LEU 65 HA LEU 65 2.600 -6.344 4.640
283 1HB LEU 65 1HB LEU 65 0.264 -6.055 5.376
284 2HB LEU 65 2HB LEU 65 0.855 -5.507 6.950
285 HG LEU 65 HG LEU 65 2.055 -3.629 5.762
286 1HD1 LEU 65 3HD1 LEU 65 0.307 -4.503 3.416
287 2HD1 LEU 65 2HD1 LEU 65 1.173 -2.978 3.512
288 3HD1 LEU 65 1HD1 LEU 65 2.095 -4.481 3.429
289 1HD2 LEU 65 1HD2 LEU 65 -0.953 -3.844 5.554
290 2HD2 LEU 65 2HD2 LEU 65 -0.008 -3.260 6.947
291 3HD2 LEU 65 3HD2 LEU 65 -0.045 -2.333 5.429
292 H GLN 66 H GLN 66 4.484 -5.289 4.651
293 HA GLN 66 HA GLN 66 5.525 -4.008 7.118
294 1HB GLN 66 1HB GLN 66 7.380 -5.260 5.097
295 2HB GLN 66 2HB GLN 66 7.693 -4.753 6.766
296 1HG GLN 66 1HG GLN 66 6.186 -7.199 5.760
297 2HG GLN 66 2HG GLN 66 7.813 -7.169 6.438
298 1HE2 GLN 66 1HE2 GLN 66 5.040 -8.102 8.968
299 2HE2 GLN 66 2HE2 GLN 66 5.119 -8.436 7.232
300 H GLU 67 H GLU 67 7.720 -2.980 6.088
301 HA GLU 67 HA GLU 67 8.533 -1.136 5.229
302 1HB GLU 67 2HB GLU 67 7.479 -2.252 2.604
303 2HB GLU 67 1HB GLU 67 8.783 -1.083 2.795
304 1HG GLU 67 2HG GLU 67 10.061 -2.780 4.167
305 2HG GLU 67 1HG GLU 67 8.844 -3.989 3.729
306 H ASP 68 H ASP 68 7.008 -0.113 6.462
307 HA ASP 68 HA ASP 68 5.799 1.809 6.838
308 1HB ASP 68 2HB ASP 68 6.348 2.492 3.914
309 2HB ASP 68 1HB ASP 68 5.757 3.591 5.158
310 H ARG 69 H ARG 69 4.752 -0.738 5.714
311 HA ARG 69 HA ARG 69 2.787 -1.676 5.455
312 1HB ARG 69 1HB ARG 69 1.662 1.079 5.898
313 2HB ARG 69 2HB ARG 69 0.622 -0.296 5.627
314 1HG ARG 69 2HG ARG 69 1.724 -1.523 7.462
315 2HG ARG 69 1HG ARG 69 2.642 -0.061 7.886
316 1HD ARG 69 1HD ARG 69 0.774 -0.132 9.363
317 2HD ARG 69 2HD ARG 69 0.439 1.157 8.184
318 HE ARG 69 HE ARG 69 -0.714 -1.221 7.187
319 1HH1 ARG 69 1HH1 ARG 69 -1.115 0.933 9.947
320 2HH1 ARG 69 2HH1 ARG 69 -2.747 0.432 10.296
321 1HH2 ARG 69 2HH2 ARG 69 -2.877 -1.904 7.623
322 2HH2 ARG 69 1HH2 ARG 69 -3.740 -1.224 8.974
323 H HIS 70 H HIS 70 4.033 -1.712 3.383
324 HA HIS 70 HA HIS 70 1.966 -1.312 1.336
325 1HB HIS 70 1HB HIS 70 4.882 -0.450 0.981
326 2HB HIS 70 2HB HIS 70 3.702 -0.544 -0.331
327 HD2 HIS 70 HD2 HIS 70 1.525 1.321 -0.124
328 HE1 HIS 70 HE1 HIS 70 3.658 3.885 2.482
329 HE2 HIS 70 HE2 HIS 70 1.591 3.698 0.997
330 H SER 71 H SER 71 4.866 -2.936 2.428
331 HA SER 71 HA SER 71 4.709 -4.859 0.107
332 1HB SER 71 1HB SER 71 7.029 -4.374 1.982
333 2HB SER 71 2HB SER 71 7.023 -5.353 0.510
334 HG SER 71 HG SER 71 7.841 -3.152 0.276
335 H CYS 72 H CYS 72 3.578 -6.683 0.622
336 HA CYS 72 HA CYS 72 3.577 -7.699 3.387
337 1HB CYS 72 1HB CYS 72 2.010 -8.587 0.996
338 2HB CYS 72 2HB CYS 72 1.895 -9.196 2.642
339 H GLN 73 H GLN 73 4.878 -9.286 4.093
340 HA GLN 73 HA GLN 73 6.532 -10.854 2.233
341 1HB GLN 73 2HB GLN 73 5.808 -11.491 5.112
342 2HB GLN 73 1HB GLN 73 7.131 -12.172 4.162
343 1HG GLN 73 1HG GLN 73 8.384 -10.132 4.210
344 2HG GLN 73 2HG GLN 73 7.025 -9.230 4.894
345 1HE2 GLN 73 1HE2 GLN 73 8.309 -11.931 7.672
346 2HE2 GLN 73 2HE2 GLN 73 7.708 -12.534 6.144
347 H ALA 74 H ALA 74 6.212 -13.259 2.203
348 HA ALA 74 HA ALA 74 3.323 -14.061 2.194
349 1HB ALA 74 1HB ALA 74 4.314 -13.990 -0.079
350 2HB ALA 74 3HB ALA 74 5.615 -15.072 0.458
351 3HB ALA 74 2HB ALA 74 3.934 -15.647 0.435
352 H GLU 75 H GLU 75 2.876 -15.605 3.762
353 HA GLU 75 HA GLU 75 4.931 -17.477 4.632
354 1HB GLU 75 2HB GLU 75 3.165 -16.038 6.628
355 2HB GLU 75 1HB GLU 75 4.538 -17.088 6.946
356 1HG GLU 75 2HG GLU 75 4.627 -14.235 5.830
357 2HG GLU 75 1HG GLU 75 5.011 -14.739 7.476
No H/Q in entry = 357
Start of MODEL 16
1 1H ALA 23 3H ALA 23 -11.124 7.685 -1.237
2 2H ALA 23 2H ALA 23 -10.050 8.851 -0.943
3 3H ALA 23 1H ALA 23 -9.670 7.287 -0.535
4 HA ALA 23 HA ALA 23 -11.172 7.218 1.225
5 1HB ALA 23 2HB ALA 23 -9.968 10.023 1.198
6 2HB ALA 23 1HB ALA 23 -10.682 9.214 2.614
7 3HB ALA 23 3HB ALA 23 -9.235 8.547 1.842
8 H VAL 24 H VAL 24 -11.958 10.622 1.197
9 HA VAL 24 HA VAL 24 -14.766 10.094 0.731
10 HB VAL 24 HB VAL 24 -13.967 12.001 2.060
11 1HG1 VAL 24 1HG1 VAL 24 -11.943 12.647 0.718
12 2HG1 VAL 24 2HG1 VAL 24 -13.024 13.289 -0.540
13 3HG1 VAL 24 3HG1 VAL 24 -13.022 14.001 1.078
14 1HG2 VAL 24 3HG2 VAL 24 -16.199 12.054 1.008
15 2HG2 VAL 24 2HG2 VAL 24 -15.504 13.677 1.165
16 3HG2 VAL 24 1HG2 VAL 24 -15.517 12.869 -0.415
17 H ASP 25 H ASP 25 -11.962 11.068 -1.121
18 HA ASP 25 HA ASP 25 -13.245 11.097 -3.764
19 1HB ASP 25 2HB ASP 25 -11.006 11.646 -4.510
20 2HB ASP 25 1HB ASP 25 -11.326 12.625 -3.081
21 H LEU 26 H LEU 26 -11.686 9.695 -5.355
22 HA LEU 26 HA LEU 26 -12.233 6.975 -4.832
23 1HB LEU 26 1HB LEU 26 -11.238 6.533 -6.896
24 2HB LEU 26 2HB LEU 26 -11.950 8.133 -7.062
25 HG LEU 26 HG LEU 26 -9.011 7.420 -6.700
26 1HD1 LEU 26 1HD1 LEU 26 -9.974 7.071 -8.943
27 2HD1 LEU 26 3HD1 LEU 26 -10.528 8.760 -8.973
28 3HD1 LEU 26 2HD1 LEU 26 -8.790 8.391 -8.944
29 1HD2 LEU 26 2HD2 LEU 26 -10.243 10.208 -6.856
30 2HD2 LEU 26 1HD2 LEU 26 -9.322 9.528 -5.488
31 3HD2 LEU 26 3HD2 LEU 26 -8.517 9.838 -7.023
32 H ASP 27 H ASP 27 -10.224 5.351 -5.280
33 HA ASP 27 HA ASP 27 -8.821 5.360 -2.770
34 1HB ASP 27 1HB ASP 27 -9.609 3.293 -3.796
35 2HB ASP 27 2HB ASP 27 -8.511 3.528 -5.166
36 H GLU 28 H GLU 28 -7.362 6.967 -2.517
37 HA GLU 28 HA GLU 28 -5.639 8.083 -4.399
38 1HB GLU 28 1HB GLU 28 -5.058 7.640 -1.448
39 2HB GLU 28 2HB GLU 28 -4.274 8.806 -2.519
40 1HG GLU 28 1HG GLU 28 -5.802 10.255 -1.682
41 2HG GLU 28 2HG GLU 28 -6.879 9.517 -2.873
42 H CYS 29 H CYS 29 -5.229 5.093 -2.489
43 HA CYS 29 HA CYS 29 -2.463 4.719 -3.137
44 1HB CYS 29 1HB CYS 29 -2.598 2.940 -1.806
45 2HB CYS 29 2HB CYS 29 -4.217 3.520 -1.394
46 H ALA 30 H ALA 30 -5.420 4.074 -4.952
47 HA ALA 30 HA ALA 30 -4.052 2.272 -6.875
48 1HB ALA 30 2HB ALA 30 -6.429 1.894 -6.306
49 2HB ALA 30 1HB ALA 30 -6.831 3.514 -6.930
50 3HB ALA 30 3HB ALA 30 -6.191 2.273 -8.025
51 H SER 31 H SER 31 -5.403 5.540 -6.608
52 HA SER 31 HA SER 31 -4.858 6.478 -9.201
53 1HB SER 31 1HB SER 31 -4.739 8.138 -6.643
54 2HB SER 31 2HB SER 31 -5.149 8.678 -8.278
55 HG SER 31 HG SER 31 -6.642 6.885 -6.625
56 H ARG 32 H ARG 32 -2.850 6.736 -6.246
57 HA ARG 32 HA ARG 32 -0.574 7.886 -7.725
58 1HB ARG 32 1HB ARG 32 -0.898 7.127 -4.801
59 2HB ARG 32 2HB ARG 32 0.468 8.007 -5.518
60 1HG ARG 32 2HG ARG 32 -1.236 9.758 -6.297
61 2HG ARG 32 1HG ARG 32 -2.418 8.952 -5.253
62 1HD ARG 32 2HD ARG 32 0.221 10.218 -4.417
63 2HD ARG 32 1HD ARG 32 -1.413 10.832 -4.082
64 HE ARG 32 HE ARG 32 -1.280 8.230 -3.009
65 1HH1 ARG 32 1HH1 ARG 32 0.136 11.418 -2.488
66 2HH1 ARG 32 2HH1 ARG 32 0.514 11.144 -0.809
67 1HH2 ARG 32 1HH2 ARG 32 -0.712 7.814 -0.813
68 2HH2 ARG 32 2HH2 ARG 32 -0.009 9.074 0.162
69 H SER 33 H SER 33 -0.978 5.683 -8.997
70 HA SER 33 HA SER 33 0.159 3.257 -7.937
71 1HB SER 33 2HB SER 33 0.061 2.676 -10.400
72 2HB SER 33 1HB SER 33 -1.473 3.268 -9.748
73 HG SER 33 HG SER 33 -0.914 4.298 -11.705
74 H LYS 34 H LYS 34 1.400 6.103 -9.566
75 HA LYS 34 HA LYS 34 3.451 6.770 -10.298
76 1HB LYS 34 1HB LYS 34 4.561 4.762 -8.292
77 2HB LYS 34 2HB LYS 34 5.393 6.166 -8.974
78 1HG LYS 34 1HG LYS 34 3.748 7.677 -7.873
79 2HG LYS 34 2HG LYS 34 2.926 6.264 -7.178
80 1HD LYS 34 2HD LYS 34 5.023 5.607 -6.020
81 2HD LYS 34 1HD LYS 34 5.808 7.077 -6.635
82 1HE LYS 34 2HE LYS 34 4.108 8.469 -5.457
83 2HE LYS 34 1HE LYS 34 3.311 6.998 -4.863
84 1HZ LYS 34 3HZ LYS 34 5.313 6.455 -3.692
85 2HZ LYS 34 1HZ LYS 34 6.057 7.821 -4.238
86 3HZ LYS 34 2HZ LYS 34 4.756 7.935 -3.234
87 H SER 35 H SER 35 2.083 4.715 -11.752
88 HA SER 35 HA SER 35 4.283 3.642 -13.362
89 1HB SER 35 2HB SER 35 3.415 1.269 -13.042
90 2HB SER 35 1HB SER 35 4.309 1.944 -11.670
91 HG SER 35 HG SER 35 2.481 2.212 -10.545
92 H GLY 36 H GLY 36 1.090 2.404 -12.854
93 1HA GLY 36 2HA GLY 36 -0.034 3.666 -15.309
94 2HA GLY 36 1HA GLY 36 0.174 1.903 -15.336
95 H GLU 37 H GLU 37 -2.224 1.918 -15.617
96 HA GLU 37 HA GLU 37 -3.936 2.862 -13.475
97 1HB GLU 37 1HB GLU 37 -4.502 1.026 -15.839
98 2HB GLU 37 2HB GLU 37 -5.710 1.753 -14.771
99 1HG GLU 37 2HG GLU 37 -4.955 4.025 -15.443
100 2HG GLU 37 1HG GLU 37 -3.777 3.312 -16.556
101 H GLU 38 H GLU 38 -2.424 1.618 -11.895
102 HA GLU 38 HA GLU 38 -2.843 -1.240 -11.632
103 1HB GLU 38 1HB GLU 38 -1.766 0.776 -9.634
104 2HB GLU 38 2HB GLU 38 -1.751 -0.988 -9.485
105 1HG GLU 38 2HG GLU 38 -0.361 -1.187 -11.514
106 2HG GLU 38 1HG GLU 38 -0.248 0.579 -11.609
107 H ASP 39 H ASP 39 -5.256 -0.998 -11.867
108 HA ASP 39 HA ASP 39 -6.770 -0.248 -9.468
109 1HB ASP 39 1HB ASP 39 -8.008 -0.222 -11.483
110 2HB ASP 39 2HB ASP 39 -7.540 -1.853 -11.940
111 HA PRO 40 HA PRO 40 -5.924 -4.799 -8.289
112 1HB PRO 40 1HB PRO 40 -4.467 -6.439 -9.903
113 2HB PRO 40 2HB PRO 40 -6.234 -6.221 -10.147
114 1HG PRO 40 2HG PRO 40 -3.989 -4.783 -11.593
115 2HG PRO 40 1HG PRO 40 -5.363 -5.670 -12.320
116 1HD PRO 40 2HD PRO 40 -5.458 -3.014 -11.983
117 2HD PRO 40 1HD PRO 40 -6.903 -4.010 -11.642
118 H GLN 41 H GLN 41 -3.858 -5.550 -7.289
119 HA GLN 41 HA GLN 41 -2.051 -4.814 -6.096
120 1HB GLN 41 1HB GLN 41 0.014 -5.220 -7.266
121 2HB GLN 41 2HB GLN 41 -1.187 -6.480 -7.493
122 1HG GLN 41 2HG GLN 41 -1.173 -6.271 -9.737
123 2HG GLN 41 1HG GLN 41 -1.325 -4.517 -9.689
124 1HE2 GLN 41 2HE2 GLN 41 2.184 -3.816 -9.681
125 2HE2 GLN 41 1HE2 GLN 41 0.689 -3.314 -8.900
126 HA PRO 42 HA PRO 42 -2.040 -0.319 -7.363
127 1HB PRO 42 1HB PRO 42 -3.207 0.748 -5.184
128 2HB PRO 42 2HB PRO 42 -4.149 -0.122 -6.412
129 1HG PRO 42 1HG PRO 42 -3.075 -1.269 -3.819
130 2HG PRO 42 2HG PRO 42 -4.770 -1.278 -4.397
131 1HD PRO 42 1HD PRO 42 -3.117 -3.377 -4.837
132 2HD PRO 42 2HD PRO 42 -4.279 -2.849 -6.091
133 H GLN 43 H GLN 43 -1.359 1.524 -5.326
134 HA GLN 43 HA GLN 43 1.382 1.311 -5.181
135 1HB GLN 43 2HB GLN 43 -0.049 3.313 -4.723
136 2HB GLN 43 1HB GLN 43 -0.392 2.656 -3.108
137 1HG GLN 43 2HG GLN 43 2.153 2.740 -2.733
138 2HG GLN 43 1HG GLN 43 2.272 3.576 -4.281
139 1HE2 GLN 43 2HE2 GLN 43 0.742 6.615 -3.077
140 2HE2 GLN 43 1HE2 GLN 43 0.961 5.618 -4.515
141 H CYS 44 H CYS 44 -0.966 -0.153 -2.984
142 HA CYS 44 HA CYS 44 1.211 -1.337 -1.300
143 1HB CYS 44 1HB CYS 44 -1.781 -1.115 -0.848
144 2HB CYS 44 2HB CYS 44 -0.691 -2.078 0.143
145 H GLN 45 H GLN 45 1.455 -3.578 -1.372
146 HA GLN 45 HA GLN 45 1.145 -4.861 -3.651
147 1HB GLN 45 1HB GLN 45 2.324 -5.549 -1.425
148 2HB GLN 45 2HB GLN 45 0.876 -6.544 -1.175
149 1HG GLN 45 1HG GLN 45 1.270 -7.500 -3.516
150 2HG GLN 45 2HG GLN 45 2.729 -6.500 -3.590
151 1HE2 GLN 45 2HE2 GLN 45 4.641 -8.630 -1.451
152 2HE2 GLN 45 1HE2 GLN 45 4.594 -7.129 -2.377
153 H HIS 46 H HIS 46 -1.360 -5.234 -1.057
154 HA HIS 46 HA HIS 46 -3.091 -6.635 -3.078
155 1HB HIS 46 1HB HIS 46 -3.131 -6.903 -0.106
156 2HB HIS 46 2HB HIS 46 -4.185 -7.751 -1.247
157 HD2 HIS 46 HD2 HIS 46 -0.857 -8.162 -2.837
158 HE1 HIS 46 HE1 HIS 46 -0.755 -10.903 0.359
159 HE2 HIS 46 HE2 HIS 46 0.524 -10.031 -1.683
160 H LEU 47 H LEU 47 -3.906 -4.972 0.064
161 HA LEU 47 HA LEU 47 -5.755 -3.286 -1.527
162 1HB LEU 47 1HB LEU 47 -7.652 -3.817 -0.147
163 2HB LEU 47 2HB LEU 47 -7.064 -5.190 -1.062
164 HG LEU 47 HG LEU 47 -7.908 -5.817 1.108
165 1HD1 LEU 47 1HD2 LEU 47 -6.144 -7.191 0.069
166 2HD1 LEU 47 3HD2 LEU 47 -4.963 -6.356 1.110
167 3HD1 LEU 47 2HD2 LEU 47 -6.250 -7.318 1.835
168 1HD2 LEU 47 1HD1 LEU 47 -7.250 -3.718 2.337
169 2HD2 LEU 47 2HD1 LEU 47 -6.920 -5.243 3.186
170 3HD2 LEU 47 3HD1 LEU 47 -5.593 -4.362 2.410
171 H CYS 48 H CYS 48 -6.857 -1.634 -0.363
172 HA CYS 48 HA CYS 48 -5.102 -0.282 1.649
173 1HB CYS 48 2HB CYS 48 -6.359 0.838 -0.882
174 2HB CYS 48 1HB CYS 48 -5.429 1.754 0.306
175 H HIS 49 H HIS 49 -6.494 -0.302 3.463
176 HA HIS 49 HA HIS 49 -9.379 -0.052 3.194
177 1HB HIS 49 1HB HIS 49 -7.685 0.563 5.623
178 2HB HIS 49 2HB HIS 49 -9.423 0.251 5.544
179 HD2 HIS 49 HD2 HIS 49 -6.039 -1.518 5.944
180 HE1 HIS 49 HE1 HIS 49 -9.034 -4.498 5.961
181 HE2 HIS 49 HE2 HIS 49 -6.559 -3.986 6.501
182 H ASN 50 H ASN 50 -10.278 1.822 2.612
183 HA ASN 50 HA ASN 50 -8.709 4.345 2.644
184 1HB ASN 50 2HB ASN 50 -10.980 3.224 1.039
185 2HB ASN 50 1HB ASN 50 -11.019 4.941 1.373
186 1HD2 ASN 50 2HD2 ASN 50 -7.816 3.549 -0.809
187 2HD2 ASN 50 1HD2 ASN 50 -8.577 2.542 0.431
188 H TYR 51 H TYR 51 -9.253 6.128 3.889
189 HA TYR 51 HA TYR 51 -11.721 6.297 5.363
190 1HB TYR 51 1HB TYR 51 -11.018 5.789 7.524
191 2HB TYR 51 2HB TYR 51 -10.425 4.435 6.591
192 HD1 TYR 51 HD1 TYR 51 -7.864 6.025 5.488
193 HD2 TYR 51 HD2 TYR 51 -9.577 5.414 9.398
194 HE1 TYR 51 HE1 TYR 51 -5.714 6.593 6.501
195 HE2 TYR 51 HE2 TYR 51 -7.385 5.931 10.416
196 HH TYR 51 HH TYR 51 -4.541 6.873 8.467
197 H VAL 52 H VAL 52 -11.121 7.985 7.407
198 HA VAL 52 HA VAL 52 -10.268 10.396 6.105
199 HB VAL 52 HB VAL 52 -11.012 9.576 8.951
200 1HG1 VAL 52 3HG2 VAL 52 -10.318 12.326 7.862
201 2HG1 VAL 52 2HG2 VAL 52 -11.116 12.002 9.426
202 3HG1 VAL 52 1HG2 VAL 52 -9.459 11.434 9.149
203 1HG2 VAL 52 3HG1 VAL 52 -12.332 11.225 6.746
204 2HG2 VAL 52 2HG1 VAL 52 -12.794 9.578 7.219
205 3HG2 VAL 52 1HG1 VAL 52 -13.022 10.920 8.361
206 H GLY 53 H GLY 53 -8.269 11.313 6.165
207 1HA GLY 53 1HA GLY 53 -5.998 11.504 6.825
208 2HA GLY 53 2HA GLY 53 -6.061 9.935 7.642
209 H GLY 54 H GLY 54 -7.781 9.251 4.887
210 1HA GLY 54 1HA GLY 54 -7.013 9.193 2.585
211 2HA GLY 54 2HA GLY 54 -5.367 8.927 3.108
212 H TYR 55 H TYR 55 -4.768 6.870 3.837
213 HA TYR 55 HA TYR 55 -6.713 4.741 4.005
214 1HB TYR 55 1HB TYR 55 -5.845 3.417 2.110
215 2HB TYR 55 2HB TYR 55 -6.619 4.897 1.585
216 HD1 TYR 55 HD1 TYR 55 -5.202 6.879 0.826
217 HD2 TYR 55 HD2 TYR 55 -3.538 2.980 1.590
218 HE1 TYR 55 HE1 TYR 55 -3.076 7.565 -0.247
219 HE2 TYR 55 HE2 TYR 55 -1.437 3.650 0.451
220 HH TYR 55 HH TYR 55 -0.334 5.348 -0.758
221 H PHE 56 H PHE 56 -5.945 2.818 4.812
222 HA PHE 56 HA PHE 56 -3.088 2.669 5.625
223 1HB PHE 56 2HB PHE 56 -3.679 1.652 7.698
224 2HB PHE 56 1HB PHE 56 -4.360 3.267 7.610
225 HD1 PHE 56 HD1 PHE 56 -6.859 3.519 7.062
226 HD2 PHE 56 HD2 PHE 56 -5.070 -0.247 8.154
227 HE1 PHE 56 HE1 PHE 56 -9.076 2.673 7.768
228 HE2 PHE 56 HE2 PHE 56 -7.288 -1.096 8.840
229 HZ PHE 56 HZ PHE 56 -9.292 0.370 8.691
230 H CYS 57 H CYS 57 -2.173 0.728 5.018
231 HA CYS 57 HA CYS 57 -3.937 -0.999 3.372
232 1HB CYS 57 1HB CYS 57 -0.933 -0.783 3.507
233 2HB CYS 57 2HB CYS 57 -1.839 -1.846 2.434
234 H SER 58 H SER 58 -3.280 -3.268 3.200
235 HA SER 58 HA SER 58 -2.354 -4.761 5.457
236 1HB SER 58 1HB SER 58 -5.344 -4.716 4.854
237 2HB SER 58 2HB SER 58 -4.568 -5.936 5.865
238 HG SER 58 HG SER 58 -4.006 -3.369 6.654
239 H CYS 59 H CYS 59 -3.084 -7.211 4.845
240 HA CYS 59 HA CYS 59 -3.268 -7.507 1.913
241 1HB CYS 59 2HB CYS 59 -0.970 -8.411 3.673
242 2HB CYS 59 1HB CYS 59 -1.381 -9.307 2.242
243 H ARG 60 H ARG 60 -3.358 -9.831 1.357
244 HA ARG 60 HA ARG 60 -5.701 -11.005 2.358
245 1HB ARG 60 1HB ARG 60 -3.262 -12.149 0.931
246 2HB ARG 60 2HB ARG 60 -4.683 -13.131 1.266
247 1HG ARG 60 2HG ARG 60 -6.110 -11.569 -0.017
248 2HG ARG 60 1HG ARG 60 -4.706 -10.548 -0.360
249 1HD ARG 60 2HD ARG 60 -3.611 -12.516 -1.510
250 2HD ARG 60 1HD ARG 60 -5.052 -13.471 -1.170
251 HE ARG 60 HE ARG 60 -6.186 -12.463 -2.872
252 1HH1 ARG 60 2HH1 ARG 60 -3.324 -10.516 -2.163
253 2HH1 ARG 60 1HH1 ARG 60 -3.414 -9.590 -3.636
254 1HH2 ARG 60 2HH2 ARG 60 -6.367 -11.204 -4.759
255 2HH2 ARG 60 1HH2 ARG 60 -5.209 -9.951 -5.109
256 HA PRO 61 HA PRO 61 -4.469 -12.892 6.174
257 1HB PRO 61 2HB PRO 61 -5.634 -15.496 5.342
258 2HB PRO 61 1HB PRO 61 -5.985 -14.553 6.809
259 1HG PRO 61 2HG PRO 61 -7.792 -14.595 4.746
260 2HG PRO 61 1HG PRO 61 -7.470 -13.105 5.676
261 1HD PRO 61 2HD PRO 61 -6.399 -13.860 2.957
262 2HD PRO 61 1HD PRO 61 -7.019 -12.289 3.551
263 H GLY 62 H GLY 62 -2.825 -14.264 6.952
264 1HA GLY 62 2HA GLY 62 -0.910 -15.531 6.872
265 2HA GLY 62 1HA GLY 62 -1.452 -16.226 5.342
266 H TYR 63 H TYR 63 -1.108 -12.641 5.638
267 HA TYR 63 HA TYR 63 1.548 -12.797 4.479
268 1HB TYR 63 1HB TYR 63 -0.822 -11.268 3.377
269 2HB TYR 63 2HB TYR 63 0.813 -10.755 3.060
270 HD1 TYR 63 HD1 TYR 63 -1.575 -13.566 2.551
271 HD2 TYR 63 HD2 TYR 63 2.117 -11.719 1.326
272 HE1 TYR 63 HE1 TYR 63 -1.512 -15.025 0.557
273 HE2 TYR 63 HE2 TYR 63 2.185 -13.182 -0.671
274 HH TYR 63 HH TYR 63 -0.345 -15.611 -1.346
275 H GLU 64 H GLU 64 2.923 -11.336 5.292
276 HA GLU 64 HA GLU 64 1.950 -9.550 7.480
277 1HB GLU 64 1HB GLU 64 3.903 -11.050 7.984
278 2HB GLU 64 2HB GLU 64 4.777 -10.302 6.635
279 1HG GLU 64 1HG GLU 64 4.332 -8.038 7.935
280 2HG GLU 64 2HG GLU 64 3.930 -9.089 9.293
281 H LEU 65 H LEU 65 2.013 -7.386 7.112
282 HA LEU 65 HA LEU 65 2.818 -6.327 4.472
283 1HB LEU 65 1HB LEU 65 0.477 -6.028 5.315
284 2HB LEU 65 2HB LEU 65 1.090 -5.300 6.790
285 HG LEU 65 HG LEU 65 0.041 -3.687 5.419
286 1HD1 LEU 65 1HD1 LEU 65 2.113 -3.065 6.747
287 2HD1 LEU 65 2HD1 LEU 65 2.961 -3.038 5.173
288 3HD1 LEU 65 3HD1 LEU 65 1.570 -1.967 5.463
289 1HD2 LEU 65 1HD2 LEU 65 2.027 -4.304 3.208
290 2HD2 LEU 65 3HD2 LEU 65 0.253 -4.528 3.181
291 3HD2 LEU 65 2HD2 LEU 65 0.942 -2.906 3.252
292 H GLN 66 H GLN 66 4.843 -5.451 4.434
293 HA GLN 66 HA GLN 66 6.416 -5.399 6.864
294 1HB GLN 66 1HB GLN 66 6.998 -4.629 3.983
295 2HB GLN 66 2HB GLN 66 8.174 -4.384 5.275
296 1HG GLN 66 2HG GLN 66 8.684 -6.450 4.189
297 2HG GLN 66 1HG GLN 66 8.144 -6.783 5.838
298 1HE2 GLN 66 2HE2 GLN 66 5.348 -8.702 4.783
299 2HE2 GLN 66 1HE2 GLN 66 6.443 -8.255 6.089
300 H GLU 67 H GLU 67 7.720 -3.649 7.568
301 HA GLU 67 HA GLU 67 6.318 -1.406 8.414
302 1HB GLU 67 1HB GLU 67 9.350 -1.628 8.197
303 2HB GLU 67 2HB GLU 67 8.406 -0.598 9.271
304 1HG GLU 67 1HG GLU 67 8.856 -2.251 10.759
305 2HG GLU 67 2HG GLU 67 7.382 -2.950 10.089
306 H ASP 68 H ASP 68 7.282 -1.760 5.228
307 HA ASP 68 HA ASP 68 8.124 1.019 4.728
308 1HB ASP 68 2HB ASP 68 8.308 0.450 2.474
309 2HB ASP 68 1HB ASP 68 8.976 -0.939 3.338
310 H ARG 69 H ARG 69 5.338 -1.008 4.983
311 HA ARG 69 HA ARG 69 3.277 -0.607 5.314
312 1HB ARG 69 1HB ARG 69 4.252 1.874 5.759
313 2HB ARG 69 2HB ARG 69 3.125 2.254 4.461
314 1HG ARG 69 2HG ARG 69 1.678 0.509 6.146
315 2HG ARG 69 1HG ARG 69 2.672 1.419 7.281
316 1HD ARG 69 1HD ARG 69 0.572 2.558 7.031
317 2HD ARG 69 2HD ARG 69 1.819 3.554 6.244
318 HE ARG 69 HE ARG 69 0.805 1.913 4.226
319 1HH1 ARG 69 2HH1 ARG 69 -0.451 4.453 6.394
320 2HH1 ARG 69 1HH1 ARG 69 -1.832 4.794 5.359
321 1HH2 ARG 69 2HH2 ARG 69 -1.020 2.480 2.887
322 2HH2 ARG 69 1HH2 ARG 69 -2.103 3.760 3.415
323 H HIS 70 H HIS 70 4.450 -1.344 2.780
324 HA HIS 70 HA HIS 70 2.051 -1.047 1.058
325 1HB HIS 70 1HB HIS 70 4.891 -0.388 0.148
326 2HB HIS 70 2HB HIS 70 3.488 -0.511 -0.905
327 HD2 HIS 70 HD2 HIS 70 1.668 1.624 -0.765
328 HE1 HIS 70 HE1 HIS 70 4.259 4.109 1.472
329 HE2 HIS 70 HE2 HIS 70 2.123 4.063 0.042
330 H SER 71 H SER 71 5.221 -2.547 1.580
331 HA SER 71 HA SER 71 4.693 -4.600 -0.474
332 1HB SER 71 2HB SER 71 7.005 -4.317 1.486
333 2HB SER 71 1HB SER 71 6.901 -5.465 0.144
334 HG SER 71 HG SER 71 6.973 -2.626 -0.020
335 H CYS 72 H CYS 72 4.252 -6.769 -0.114
336 HA CYS 72 HA CYS 72 3.853 -7.657 2.704
337 1HB CYS 72 2HB CYS 72 2.006 -7.994 0.377
338 2HB CYS 72 1HB CYS 72 2.015 -9.125 1.736
339 H GLN 73 H GLN 73 4.202 -9.748 3.191
340 HA GLN 73 HA GLN 73 5.393 -11.552 1.133
341 1HB GLN 73 2HB GLN 73 6.572 -11.144 3.897
342 2HB GLN 73 1HB GLN 73 7.086 -12.363 2.752
343 1HG GLN 73 2HG GLN 73 7.341 -9.396 2.122
344 2HG GLN 73 1HG GLN 73 8.598 -10.356 2.900
345 1HE2 GLN 73 1HE2 GLN 73 7.840 -10.901 -1.107
346 2HE2 GLN 73 2HE2 GLN 73 6.668 -10.043 -0.110
347 H ALA 74 H ALA 74 5.359 -13.782 1.966
348 HA ALA 74 HA ALA 74 2.666 -14.292 3.061
349 1HB ALA 74 1HB ALA 74 3.358 -15.480 1.044
350 2HB ALA 74 3HB ALA 74 4.742 -16.187 1.908
351 3HB ALA 74 2HB ALA 74 3.083 -16.608 2.386
352 H GLU 75 H GLU 75 2.373 -14.653 5.230
353 HA GLU 75 HA GLU 75 4.246 -16.153 6.840
354 1HB GLU 75 1HB GLU 75 3.670 -13.230 7.489
355 2HB GLU 75 2HB GLU 75 4.468 -14.393 8.552
356 1HG GLU 75 2HG GLU 75 6.312 -14.619 6.835
357 2HG GLU 75 1HG GLU 75 5.544 -13.318 5.903
No H/Q in entry = 357
Start of MODEL 17
1 1H ALA 23 3H ALA 23 -20.738 2.423 -1.411
2 2H ALA 23 2H ALA 23 -21.531 3.657 -0.706
3 3H ALA 23 1H ALA 23 -22.405 2.345 -1.246
4 HA ALA 23 HA ALA 23 -22.017 2.843 -3.468
5 1HB ALA 23 3HB ALA 23 -23.593 4.481 -2.399
6 2HB ALA 23 2HB ALA 23 -22.218 5.566 -2.089
7 3HB ALA 23 1HB ALA 23 -22.704 5.186 -3.755
8 H VAL 24 H VAL 24 -20.798 5.125 -4.690
9 HA VAL 24 HA VAL 24 -18.050 4.300 -4.659
10 HB VAL 24 HB VAL 24 -17.679 6.235 -6.124
11 1HG1 VAL 24 2HG1 VAL 24 -18.551 4.113 -7.053
12 2HG1 VAL 24 3HG1 VAL 24 -20.214 4.711 -6.869
13 3HG1 VAL 24 1HG1 VAL 24 -19.093 5.525 -7.976
14 1HG2 VAL 24 3HG2 VAL 24 -19.218 7.886 -5.097
15 2HG2 VAL 24 1HG2 VAL 24 -19.511 7.698 -6.830
16 3HG2 VAL 24 2HG2 VAL 24 -20.615 6.949 -5.666
17 H ASP 25 H ASP 25 -16.185 5.668 -4.047
18 HA ASP 25 HA ASP 25 -16.493 7.873 -2.242
19 1HB ASP 25 2HB ASP 25 -17.057 6.055 -0.651
20 2HB ASP 25 1HB ASP 25 -15.638 5.133 -1.176
21 H LEU 26 H LEU 26 -14.221 8.533 -1.569
22 HA LEU 26 HA LEU 26 -12.364 8.152 -3.833
23 1HB LEU 26 2HB LEU 26 -12.264 9.802 -1.274
24 2HB LEU 26 1HB LEU 26 -10.927 9.708 -2.418
25 HG LEU 26 HG LEU 26 -12.234 11.743 -2.665
26 1HD1 LEU 26 2HD2 LEU 26 -10.977 10.807 -4.589
27 2HD1 LEU 26 3HD2 LEU 26 -12.453 9.988 -5.146
28 3HD1 LEU 26 1HD2 LEU 26 -12.391 11.755 -5.078
29 1HD2 LEU 26 2HD1 LEU 26 -14.480 10.764 -2.113
30 2HD2 LEU 26 1HD1 LEU 26 -14.452 11.816 -3.543
31 3HD2 LEU 26 3HD1 LEU 26 -14.517 10.060 -3.752
32 H ASP 27 H ASP 27 -12.395 5.712 -3.309
33 HA ASP 27 HA ASP 27 -10.945 4.919 -0.950
34 1HB ASP 27 2HB ASP 27 -11.255 2.681 -1.782
35 2HB ASP 27 1HB ASP 27 -12.755 3.591 -1.841
36 H GLU 28 H GLU 28 -9.224 6.483 -1.468
37 HA GLU 28 HA GLU 28 -7.308 6.348 -3.448
38 1HB GLU 28 1HB GLU 28 -6.934 6.738 -0.434
39 2HB GLU 28 2HB GLU 28 -5.717 7.111 -1.661
40 1HG GLU 28 2HG GLU 28 -7.175 8.836 -2.628
41 2HG GLU 28 1HG GLU 28 -8.442 8.447 -1.450
42 H CYS 29 H CYS 29 -5.740 5.029 -3.827
43 HA CYS 29 HA CYS 29 -4.043 3.425 -3.690
44 1HB CYS 29 1HB CYS 29 -3.734 3.941 -1.364
45 2HB CYS 29 2HB CYS 29 -5.040 2.868 -0.866
46 H ALA 30 H ALA 30 -7.161 2.430 -2.302
47 HA ALA 30 HA ALA 30 -7.274 -0.181 -3.301
48 1HB ALA 30 1HB ALA 30 -9.407 1.898 -2.695
49 2HB ALA 30 2HB ALA 30 -9.800 0.223 -3.072
50 3HB ALA 30 3HB ALA 30 -8.839 0.641 -1.625
51 H SER 31 H SER 31 -9.146 2.554 -4.632
52 HA SER 31 HA SER 31 -9.962 1.498 -7.038
53 1HB SER 31 1HB SER 31 -9.953 3.907 -7.855
54 2HB SER 31 2HB SER 31 -10.785 3.643 -6.322
55 HG SER 31 HG SER 31 -9.040 4.490 -5.230
56 H ARG 32 H ARG 32 -7.044 3.342 -6.460
57 HA ARG 32 HA ARG 32 -5.908 3.517 -8.925
58 1HB ARG 32 2HB ARG 32 -4.388 3.160 -6.308
59 2HB ARG 32 1HB ARG 32 -3.778 3.797 -7.847
60 1HG ARG 32 2HG ARG 32 -5.589 5.535 -7.803
61 2HG ARG 32 1HG ARG 32 -5.955 5.079 -6.138
62 1HD ARG 32 1HD ARG 32 -3.176 5.955 -7.073
63 2HD ARG 32 2HD ARG 32 -4.414 7.085 -6.559
64 HE ARG 32 HE ARG 32 -4.373 6.341 -4.363
65 1HH1 ARG 32 1HH2 ARG 32 -1.763 4.714 -6.236
66 2HH1 ARG 32 2HH2 ARG 32 -0.710 4.726 -4.836
67 1HH2 ARG 32 1HH1 ARG 32 -2.983 6.018 -2.570
68 2HH2 ARG 32 2HH1 ARG 32 -1.396 5.318 -2.863
69 H SER 33 H SER 33 -6.213 0.500 -7.233
70 HA SER 33 HA SER 33 -5.496 -0.811 -9.706
71 1HB SER 33 2HB SER 33 -3.891 -1.509 -7.239
72 2HB SER 33 1HB SER 33 -3.982 -2.492 -8.710
73 HG SER 33 HG SER 33 -3.014 0.160 -8.554
74 H LYS 34 H LYS 34 -7.858 -0.448 -8.830
75 HA LYS 34 HA LYS 34 -9.829 -1.467 -8.490
76 1HB LYS 34 1HB LYS 34 -8.265 -4.080 -8.447
77 2HB LYS 34 2HB LYS 34 -10.025 -3.916 -8.474
78 1HG LYS 34 1HG LYS 34 -9.959 -2.858 -10.660
79 2HG LYS 34 2HG LYS 34 -8.202 -2.717 -10.604
80 1HD LYS 34 2HD LYS 34 -8.877 -4.579 -12.052
81 2HD LYS 34 1HD LYS 34 -7.888 -5.111 -10.689
82 1HE LYS 34 1HE LYS 34 -9.758 -6.658 -11.147
83 2HE LYS 34 2HE LYS 34 -9.847 -5.987 -9.518
84 1HZ LYS 34 1HZ LYS 34 -11.383 -5.048 -11.847
85 2HZ LYS 34 3HZ LYS 34 -11.965 -5.981 -10.619
86 3HZ LYS 34 2HZ LYS 34 -11.485 -4.434 -10.320
87 H SER 35 H SER 35 -7.839 -3.517 -6.533
88 HA SER 35 HA SER 35 -9.360 -2.760 -4.047
89 1HB SER 35 2HB SER 35 -7.836 -5.340 -4.600
90 2HB SER 35 1HB SER 35 -8.805 -4.956 -3.165
91 HG SER 35 HG SER 35 -9.840 -4.983 -5.814
92 H GLY 36 H GLY 36 -6.372 -2.662 -5.661
93 1HA GLY 36 2HA GLY 36 -4.631 -1.211 -4.790
94 2HA GLY 36 1HA GLY 36 -4.828 -1.985 -3.207
95 H GLU 37 H GLU 37 -4.786 -3.572 -6.412
96 HA GLU 37 HA GLU 37 -2.894 -5.567 -5.473
97 1HB GLU 37 2HB GLU 37 -4.053 -5.008 -8.237
98 2HB GLU 37 1HB GLU 37 -3.160 -6.460 -7.762
99 1HG GLU 37 2HG GLU 37 -4.893 -7.034 -6.108
100 2HG GLU 37 1HG GLU 37 -5.792 -5.558 -6.479
101 H GLU 38 H GLU 38 -0.727 -5.774 -6.021
102 HA GLU 38 HA GLU 38 0.921 -3.733 -6.201
103 1HB GLU 38 1HB GLU 38 1.588 -6.121 -5.899
104 2HB GLU 38 2HB GLU 38 1.370 -6.392 -7.631
105 1HG GLU 38 1HG GLU 38 3.750 -6.096 -6.993
106 2HG GLU 38 2HG GLU 38 3.222 -4.875 -8.149
107 H ASP 39 H ASP 39 1.813 -2.292 -7.593
108 HA ASP 39 HA ASP 39 1.790 -2.413 -10.370
109 1HB ASP 39 1HB ASP 39 -0.693 -2.012 -10.054
110 2HB ASP 39 2HB ASP 39 -0.309 -0.551 -9.138
111 HA PRO 40 HA PRO 40 4.800 0.193 -8.441
112 1HB PRO 40 1HB PRO 40 6.255 1.150 -10.458
113 2HB PRO 40 2HB PRO 40 6.117 -0.601 -10.080
114 1HG PRO 40 2HG PRO 40 4.516 0.921 -12.167
115 2HG PRO 40 1HG PRO 40 5.497 -0.555 -12.423
116 1HD PRO 40 1HD PRO 40 2.829 -0.693 -11.909
117 2HD PRO 40 2HD PRO 40 3.954 -1.891 -11.204
118 H GLN 41 H GLN 41 3.258 1.534 -7.464
119 HA GLN 41 HA GLN 41 3.544 4.373 -8.057
120 1HB GLN 41 2HB GLN 41 0.952 4.560 -7.764
121 2HB GLN 41 1HB GLN 41 1.563 4.082 -9.348
122 1HG GLN 41 2HG GLN 41 0.948 1.823 -9.049
123 2HG GLN 41 1HG GLN 41 0.755 1.998 -7.304
124 1HE2 GLN 41 1HE2 GLN 41 -2.554 2.254 -9.444
125 2HE2 GLN 41 2HE2 GLN 41 -1.046 1.593 -10.049
126 HA PRO 42 HA PRO 42 3.502 4.180 -3.572
127 1HB PRO 42 1HB PRO 42 2.246 6.462 -2.709
128 2HB PRO 42 2HB PRO 42 3.837 6.459 -3.512
129 1HG PRO 42 2HG PRO 42 1.139 6.927 -4.814
130 2HG PRO 42 1HG PRO 42 2.600 7.953 -4.932
131 1HD PRO 42 2HD PRO 42 2.046 6.172 -6.859
132 2HD PRO 42 1HD PRO 42 3.722 6.329 -6.282
133 H GLN 43 H GLN 43 2.156 2.272 -3.945
134 HA GLN 43 HA GLN 43 -0.496 2.360 -2.648
135 1HB GLN 43 1HB GLN 43 -0.506 2.575 -5.277
136 2HB GLN 43 2HB GLN 43 0.160 0.948 -5.258
137 1HG GLN 43 2HG GLN 43 -2.055 0.465 -3.760
138 2HG GLN 43 1HG GLN 43 -2.584 1.949 -4.558
139 1HE2 GLN 43 1HE2 GLN 43 -1.810 -1.512 -6.708
140 2HE2 GLN 43 2HE2 GLN 43 -1.185 -1.342 -5.083
141 H CYS 44 H CYS 44 -1.119 0.079 -2.111
142 HA CYS 44 HA CYS 44 1.164 -1.438 -1.208
143 1HB CYS 44 1HB CYS 44 -1.830 -1.820 -0.872
144 2HB CYS 44 2HB CYS 44 -0.606 -2.833 -0.090
145 H GLN 45 H GLN 45 1.194 -3.853 -1.357
146 HA GLN 45 HA GLN 45 1.396 -4.656 -4.036
147 1HB GLN 45 1HB GLN 45 3.013 -5.027 -2.243
148 2HB GLN 45 2HB GLN 45 1.814 -5.980 -1.353
149 1HG GLN 45 2HG GLN 45 1.688 -7.408 -3.364
150 2HG GLN 45 1HG GLN 45 3.184 -6.704 -3.986
151 1HE2 GLN 45 1HE2 GLN 45 4.859 -8.244 -1.047
152 2HE2 GLN 45 2HE2 GLN 45 4.966 -6.773 -2.036
153 H HIS 46 H HIS 46 -0.909 -5.378 -1.366
154 HA HIS 46 HA HIS 46 -2.312 -7.421 -3.086
155 1HB HIS 46 2HB HIS 46 -2.208 -6.998 -0.099
156 2HB HIS 46 1HB HIS 46 -3.415 -8.018 -0.894
157 HD2 HIS 46 HD2 HIS 46 0.031 -8.470 -2.467
158 HE1 HIS 46 HE1 HIS 46 -0.384 -11.433 0.491
159 HE2 HIS 46 HE2 HIS 46 1.152 -10.538 -1.363
160 H LEU 47 H LEU 47 -3.258 -5.150 -0.448
161 HA LEU 47 HA LEU 47 -5.346 -4.048 -2.098
162 1HB LEU 47 1HB LEU 47 -7.200 -4.836 -0.651
163 2HB LEU 47 2HB LEU 47 -6.345 -6.134 -1.470
164 HG LEU 47 HG LEU 47 -5.044 -6.574 0.676
165 1HD1 LEU 47 2HD1 LEU 47 -7.224 -4.714 1.709
166 2HD1 LEU 47 3HD1 LEU 47 -6.476 -5.968 2.714
167 3HD1 LEU 47 1HD1 LEU 47 -5.482 -4.663 2.071
168 1HD2 LEU 47 1HD2 LEU 47 -6.834 -8.015 -0.215
169 2HD2 LEU 47 2HD2 LEU 47 -6.874 -7.951 1.551
170 3HD2 LEU 47 3HD2 LEU 47 -8.052 -7.014 0.606
171 H CYS 48 H CYS 48 -6.604 -2.415 -0.854
172 HA CYS 48 HA CYS 48 -5.107 -1.295 1.482
173 1HB CYS 48 2HB CYS 48 -6.385 0.508 -0.553
174 2HB CYS 48 1HB CYS 48 -5.103 0.856 0.600
175 H HIS 49 H HIS 49 -6.449 0.459 2.477
176 HA HIS 49 HA HIS 49 -9.358 -0.023 2.592
177 1HB HIS 49 2HB HIS 49 -7.459 0.118 4.948
178 2HB HIS 49 1HB HIS 49 -9.203 -0.053 5.051
179 HD2 HIS 49 HD2 HIS 49 -6.165 -2.185 5.317
180 HE1 HIS 49 HE1 HIS 49 -9.158 -4.814 3.892
181 HE2 HIS 49 HE2 HIS 49 -6.793 -4.703 4.839
182 H ASN 50 H ASN 50 -10.234 1.896 4.009
183 HA ASN 50 HA ASN 50 -8.508 4.293 3.763
184 1HB ASN 50 1HB ASN 50 -11.290 4.234 2.616
185 2HB ASN 50 2HB ASN 50 -10.225 5.615 2.694
186 1HD2 ASN 50 2HD2 ASN 50 -8.073 4.617 0.073
187 2HD2 ASN 50 1HD2 ASN 50 -8.327 5.670 1.482
188 H TYR 51 H TYR 51 -9.319 6.154 4.710
189 HA TYR 51 HA TYR 51 -11.222 6.320 6.743
190 1HB TYR 51 2HB TYR 51 -10.011 6.091 8.735
191 2HB TYR 51 1HB TYR 51 -9.666 4.618 7.871
192 HD1 TYR 51 HD1 TYR 51 -7.390 5.682 6.005
193 HD2 TYR 51 HD2 TYR 51 -8.206 6.202 10.222
194 HE1 TYR 51 HE1 TYR 51 -5.002 5.936 6.443
195 HE2 TYR 51 HE2 TYR 51 -5.785 6.517 10.627
196 HH TYR 51 HH TYR 51 -3.391 6.467 7.974
197 H VAL 52 H VAL 52 -10.180 8.316 8.318
198 HA VAL 52 HA VAL 52 -9.966 10.461 6.613
199 HB VAL 52 HB VAL 52 -10.726 10.404 9.002
200 1HG1 VAL 52 1HG1 VAL 52 -8.848 9.044 9.958
201 2HG1 VAL 52 3HG1 VAL 52 -7.764 10.436 9.739
202 3HG1 VAL 52 2HG1 VAL 52 -9.146 10.550 10.837
203 1HG2 VAL 52 2HG2 VAL 52 -10.258 12.507 7.863
204 2HG2 VAL 52 1HG2 VAL 52 -9.918 12.592 9.607
205 3HG2 VAL 52 3HG2 VAL 52 -8.573 12.458 8.445
206 H GLY 53 H GLY 53 -7.354 8.578 7.930
207 1HA GLY 53 1HA GLY 53 -5.281 10.441 7.001
208 2HA GLY 53 2HA GLY 53 -5.021 8.832 7.666
209 H GLY 54 H GLY 54 -7.074 9.775 4.865
210 1HA GLY 54 2HA GLY 54 -6.899 9.317 2.627
211 2HA GLY 54 1HA GLY 54 -5.178 9.029 2.833
212 H TYR 55 H TYR 55 -4.650 6.917 3.843
213 HA TYR 55 HA TYR 55 -6.498 4.729 3.516
214 1HB TYR 55 2HB TYR 55 -5.509 3.567 1.662
215 2HB TYR 55 1HB TYR 55 -5.946 5.166 1.139
216 HD1 TYR 55 HD2 TYR 55 -3.195 2.835 1.956
217 HD2 TYR 55 HD1 TYR 55 -4.141 6.757 0.428
218 HE1 TYR 55 HE2 TYR 55 -0.929 3.007 0.999
219 HE2 TYR 55 HE1 TYR 55 -1.889 6.894 -0.595
220 HH TYR 55 HH TYR 55 -0.012 5.320 -1.371
221 H PHE 56 H PHE 56 -5.606 2.593 3.823
222 HA PHE 56 HA PHE 56 -2.900 2.325 4.847
223 1HB PHE 56 2HB PHE 56 -3.513 1.330 6.961
224 2HB PHE 56 1HB PHE 56 -4.133 2.968 6.903
225 HD1 PHE 56 HD2 PHE 56 -6.616 3.322 6.300
226 HD2 PHE 56 HD1 PHE 56 -4.987 -0.516 7.405
227 HE1 PHE 56 HE2 PHE 56 -8.863 2.567 6.987
228 HE2 PHE 56 HE1 PHE 56 -7.251 -1.286 8.022
229 HZ PHE 56 HZ PHE 56 -9.186 0.276 7.906
230 H CYS 57 H CYS 57 -2.988 -0.351 5.543
231 HA CYS 57 HA CYS 57 -4.511 -1.816 3.523
232 1HB CYS 57 2HB CYS 57 -1.498 -1.696 3.522
233 2HB CYS 57 1HB CYS 57 -2.469 -2.769 2.531
234 H SER 58 H SER 58 -3.819 -4.200 3.778
235 HA SER 58 HA SER 58 -2.917 -4.824 6.552
236 1HB SER 58 2HB SER 58 -4.675 -6.491 6.841
237 2HB SER 58 1HB SER 58 -5.352 -4.865 6.682
238 HG SER 58 HG SER 58 -5.444 -7.039 4.886
239 H CYS 59 H CYS 59 -4.061 -6.138 3.887
240 HA CYS 59 HA CYS 59 -2.935 -7.166 1.963
241 1HB CYS 59 2HB CYS 59 -1.143 -8.551 3.999
242 2HB CYS 59 1HB CYS 59 -1.097 -8.743 2.270
243 H ARG 60 H ARG 60 -2.926 -9.737 1.529
244 HA ARG 60 HA ARG 60 -5.549 -10.626 2.455
245 1HB ARG 60 2HB ARG 60 -3.390 -11.842 0.681
246 2HB ARG 60 1HB ARG 60 -4.932 -12.637 0.992
247 1HG ARG 60 2HG ARG 60 -6.192 -10.791 0.046
248 2HG ARG 60 1HG ARG 60 -4.729 -9.819 -0.163
249 1HD ARG 60 2HD ARG 60 -5.201 -12.491 -1.536
250 2HD ARG 60 1HD ARG 60 -5.537 -10.900 -2.259
251 HE ARG 60 HE ARG 60 -2.874 -10.861 -1.318
252 1HH1 ARG 60 2HH1 ARG 60 -4.818 -12.463 -3.795
253 2HH1 ARG 60 1HH1 ARG 60 -3.511 -12.625 -4.936
254 1HH2 ARG 60 1HH2 ARG 60 -1.156 -11.045 -2.808
255 2HH2 ARG 60 2HH2 ARG 60 -1.379 -11.814 -4.357
256 HA PRO 61 HA PRO 61 -4.235 -13.010 5.909
257 1HB PRO 61 2HB PRO 61 -5.545 -15.482 5.577
258 2HB PRO 61 1HB PRO 61 -6.185 -14.006 6.334
259 1HG PRO 61 2HG PRO 61 -6.513 -14.997 3.484
260 2HG PRO 61 1HG PRO 61 -7.773 -14.279 4.529
261 1HD PRO 61 1HD PRO 61 -6.544 -12.837 2.595
262 2HD PRO 61 2HD PRO 61 -6.907 -12.082 4.171
263 H GLY 62 H GLY 62 -2.789 -14.590 6.551
264 1HA GLY 62 2HA GLY 62 -1.013 -16.074 6.320
265 2HA GLY 62 1HA GLY 62 -1.472 -16.388 4.637
266 H TYR 63 H TYR 63 -1.389 -13.002 5.067
267 HA TYR 63 HA TYR 63 1.441 -12.680 4.701
268 1HB TYR 63 2HB TYR 63 -0.688 -11.758 2.729
269 2HB TYR 63 1HB TYR 63 0.907 -11.040 2.799
270 HD1 TYR 63 HD1 TYR 63 -0.897 -14.256 2.145
271 HD2 TYR 63 HD2 TYR 63 2.649 -11.904 1.473
272 HE1 TYR 63 HE1 TYR 63 -0.152 -15.871 0.434
273 HE2 TYR 63 HE2 TYR 63 3.395 -13.522 -0.244
274 HH TYR 63 HH TYR 63 1.502 -16.434 -1.076
275 H GLU 64 H GLU 64 1.957 -10.326 4.873
276 HA GLU 64 HA GLU 64 -0.039 -8.718 6.322
277 1HB GLU 64 2HB GLU 64 2.535 -9.771 7.580
278 2HB GLU 64 1HB GLU 64 1.691 -8.353 8.193
279 1HG GLU 64 1HG GLU 64 0.510 -11.162 8.059
280 2HG GLU 64 2HG GLU 64 1.162 -10.364 9.491
281 H LEU 65 H LEU 65 0.352 -6.605 6.125
282 HA LEU 65 HA LEU 65 2.218 -5.666 4.239
283 1HB LEU 65 1HB LEU 65 0.017 -4.590 5.193
284 2HB LEU 65 2HB LEU 65 1.041 -4.025 6.510
285 HG LEU 65 HG LEU 65 2.506 -2.928 4.617
286 1HD1 LEU 65 3HD2 LEU 65 -0.063 -3.551 3.086
287 2HD1 LEU 65 1HD2 LEU 65 1.167 -2.385 2.576
288 3HD1 LEU 65 2HD2 LEU 65 1.571 -4.102 2.673
289 1HD2 LEU 65 3HD1 LEU 65 -0.288 -2.104 5.410
290 2HD2 LEU 65 2HD1 LEU 65 1.263 -1.631 6.133
291 3HD2 LEU 65 1HD1 LEU 65 0.823 -1.043 4.512
292 H GLN 66 H GLN 66 4.063 -4.317 4.529
293 HA GLN 66 HA GLN 66 5.672 -4.996 6.975
294 1HB GLN 66 1HB GLN 66 6.542 -4.265 4.168
295 2HB GLN 66 2HB GLN 66 7.620 -4.744 5.474
296 1HG GLN 66 1HG GLN 66 5.524 -6.519 4.129
297 2HG GLN 66 2HG GLN 66 7.280 -6.584 3.976
298 1HE2 GLN 66 1HE2 GLN 66 5.516 -8.589 7.025
299 2HE2 GLN 66 2HE2 GLN 66 4.556 -7.834 5.775
300 H GLU 67 H GLU 67 7.505 -3.367 7.273
301 HA GLU 67 HA GLU 67 6.427 -1.027 8.299
302 1HB GLU 67 2HB GLU 67 9.323 -1.603 7.537
303 2HB GLU 67 1HB GLU 67 8.776 -0.304 8.608
304 1HG GLU 67 1HG GLU 67 7.800 -1.979 10.164
305 2HG GLU 67 2HG GLU 67 8.408 -3.293 9.145
306 H ASP 68 H ASP 68 7.374 -1.524 5.036
307 HA ASP 68 HA ASP 68 7.852 1.302 4.419
308 1HB ASP 68 1HB ASP 68 8.170 0.697 2.208
309 2HB ASP 68 2HB ASP 68 8.861 -0.656 3.111
310 H ARG 69 H ARG 69 5.126 -0.685 4.964
311 HA ARG 69 HA ARG 69 2.998 -0.337 5.019
312 1HB ARG 69 2HB ARG 69 3.996 2.097 5.476
313 2HB ARG 69 1HB ARG 69 3.036 2.504 4.047
314 1HG ARG 69 1HG ARG 69 1.055 1.330 5.167
315 2HG ARG 69 2HG ARG 69 2.111 1.073 6.565
316 1HD ARG 69 1HD ARG 69 0.812 3.001 7.089
317 2HD ARG 69 2HD ARG 69 2.377 3.652 6.616
318 HE ARG 69 HE ARG 69 1.488 4.118 4.380
319 1HH1 ARG 69 1HH2 ARG 69 -0.986 3.763 6.958
320 2HH1 ARG 69 2HH2 ARG 69 -2.236 4.420 5.912
321 1HH2 ARG 69 2HH1 ARG 69 -0.237 4.989 3.146
322 2HH2 ARG 69 1HH1 ARG 69 -1.831 5.108 3.873
323 H HIS 70 H HIS 70 4.358 -1.094 2.510
324 HA HIS 70 HA HIS 70 1.964 -0.840 0.804
325 1HB HIS 70 2HB HIS 70 4.813 -0.149 -0.053
326 2HB HIS 70 1HB HIS 70 3.540 -0.517 -1.205
327 HD2 HIS 70 HD2 HIS 70 1.136 1.373 0.035
328 HE1 HIS 70 HE1 HIS 70 3.943 4.473 -0.547
329 HE2 HIS 70 HE2 HIS 70 1.465 3.951 -0.187
330 H SER 71 H SER 71 5.126 -2.319 1.322
331 HA SER 71 HA SER 71 4.522 -4.535 -0.500
332 1HB SER 71 2HB SER 71 6.671 -5.442 0.122
333 2HB SER 71 1HB SER 71 6.832 -3.711 -0.234
334 HG SER 71 HG SER 71 6.595 -3.482 2.154
335 H CYS 72 H CYS 72 3.803 -6.557 0.016
336 HA CYS 72 HA CYS 72 3.156 -7.165 2.866
337 1HB CYS 72 1HB CYS 72 2.140 -8.718 0.494
338 2HB CYS 72 2HB CYS 72 1.599 -8.751 2.142
339 H GLN 73 H GLN 73 3.887 -9.118 3.717
340 HA GLN 73 HA GLN 73 5.490 -10.935 1.972
341 1HB GLN 73 2HB GLN 73 6.308 -10.093 4.769
342 2HB GLN 73 1HB GLN 73 7.082 -11.354 3.830
343 1HG GLN 73 1HG GLN 73 6.990 -8.481 2.833
344 2HG GLN 73 2HG GLN 73 8.289 -9.130 3.840
345 1HE2 GLN 73 2HE2 GLN 73 8.032 -10.258 -0.106
346 2HE2 GLN 73 1HE2 GLN 73 6.656 -9.471 0.661
347 H ALA 74 H ALA 74 5.719 -13.061 3.120
348 HA ALA 74 HA ALA 74 2.999 -13.931 3.765
349 1HB ALA 74 1HB ALA 74 4.336 -15.212 2.185
350 2HB ALA 74 2HB ALA 74 5.567 -15.509 3.437
351 3HB ALA 74 3HB ALA 74 3.928 -16.178 3.617
352 H GLU 75 H GLU 75 2.249 -14.256 5.850
353 HA GLU 75 HA GLU 75 3.980 -14.941 8.059
354 1HB GLU 75 2HB GLU 75 2.529 -12.256 8.011
355 2HB GLU 75 1HB GLU 75 3.243 -13.018 9.438
356 1HG GLU 75 2HG GLU 75 5.500 -12.891 8.296
357 2HG GLU 75 1HG GLU 75 4.733 -11.969 6.988
No H/Q in entry = 357
Start of MODEL 18
1 1H ALA 23 3H ALA 23 -9.626 13.950 -1.985
2 2H ALA 23 2H ALA 23 -9.695 12.751 -3.090
3 3H ALA 23 1H ALA 23 -9.109 14.242 -3.553
4 HA ALA 23 HA ALA 23 -11.204 15.266 -3.265
5 1HB ALA 23 1HB ALA 23 -10.970 13.919 -5.371
6 2HB ALA 23 2HB ALA 23 -11.702 12.530 -4.541
7 3HB ALA 23 3HB ALA 23 -12.643 14.017 -4.812
8 H VAL 24 H VAL 24 -13.648 13.301 -3.151
9 HA VAL 24 HA VAL 24 -14.084 13.382 -0.310
10 HB VAL 24 HB VAL 24 -15.366 11.715 -2.536
11 1HG1 VAL 24 3HG1 VAL 24 -16.311 12.236 0.316
12 2HG1 VAL 24 2HG1 VAL 24 -17.320 11.555 -0.974
13 3HG1 VAL 24 1HG1 VAL 24 -15.912 10.659 -0.411
14 1HG2 VAL 24 1HG2 VAL 24 -16.235 14.338 -1.239
15 2HG2 VAL 24 2HG2 VAL 24 -15.634 14.154 -2.899
16 3HG2 VAL 24 3HG2 VAL 24 -17.169 13.418 -2.434
17 H ASP 25 H ASP 25 -14.129 11.379 1.108
18 HA ASP 25 HA ASP 25 -11.686 9.881 0.694
19 1HB ASP 25 2HB ASP 25 -12.407 10.727 2.908
20 2HB ASP 25 1HB ASP 25 -13.776 9.599 2.880
21 H LEU 26 H LEU 26 -12.919 9.154 -1.469
22 HA LEU 26 HA LEU 26 -14.353 6.591 -1.099
23 1HB LEU 26 1HB LEU 26 -14.754 6.560 -3.354
24 2HB LEU 26 2HB LEU 26 -14.908 8.267 -2.958
25 HG LEU 26 HG LEU 26 -12.522 6.923 -4.343
26 1HD1 LEU 26 1HD2 LEU 26 -14.567 7.031 -5.711
27 2HD1 LEU 26 2HD2 LEU 26 -14.679 8.779 -5.414
28 3HD1 LEU 26 3HD2 LEU 26 -13.307 8.113 -6.326
29 1HD2 LEU 26 1HD1 LEU 26 -13.042 9.877 -3.801
30 2HD2 LEU 26 3HD1 LEU 26 -11.731 8.893 -3.097
31 3HD2 LEU 26 2HD1 LEU 26 -11.752 9.222 -4.829
32 H ASP 27 H ASP 27 -13.170 4.817 -2.830
33 HA ASP 27 HA ASP 27 -10.692 4.286 -1.436
34 1HB ASP 27 2HB ASP 27 -12.410 2.605 -2.070
35 2HB ASP 27 1HB ASP 27 -11.866 2.735 -3.751
36 H GLU 28 H GLU 28 -9.757 6.343 -2.101
37 HA GLU 28 HA GLU 28 -8.841 7.080 -4.613
38 1HB GLU 28 2HB GLU 28 -7.425 7.226 -1.918
39 2HB GLU 28 1HB GLU 28 -6.872 8.104 -3.332
40 1HG GLU 28 2HG GLU 28 -9.651 8.501 -2.111
41 2HG GLU 28 1HG GLU 28 -8.224 9.386 -1.594
42 H CYS 29 H CYS 29 -7.414 4.802 -2.291
43 HA CYS 29 HA CYS 29 -5.079 4.059 -3.602
44 1HB CYS 29 2HB CYS 29 -5.189 3.153 -1.516
45 2HB CYS 29 1HB CYS 29 -6.906 2.802 -1.591
46 H ALA 30 H ALA 30 -8.243 2.374 -3.818
47 HA ALA 30 HA ALA 30 -7.582 0.595 -5.906
48 1HB ALA 30 3HB ALA 30 -10.261 1.925 -5.278
49 2HB ALA 30 1HB ALA 30 -10.036 0.506 -6.307
50 3HB ALA 30 2HB ALA 30 -9.648 0.407 -4.580
51 H SER 31 H SER 31 -8.956 3.891 -6.016
52 HA SER 31 HA SER 31 -9.297 4.091 -8.791
53 1HB SER 31 2HB SER 31 -8.536 6.406 -6.977
54 2HB SER 31 1HB SER 31 -9.401 6.461 -8.511
55 HG SER 31 HG SER 31 -10.314 5.197 -6.117
56 H ARG 32 H ARG 32 -6.290 4.713 -6.872
57 HA ARG 32 HA ARG 32 -4.782 5.725 -9.112
58 1HB ARG 32 2HB ARG 32 -3.758 4.174 -6.691
59 2HB ARG 32 1HB ARG 32 -2.783 5.090 -7.836
60 1HG ARG 32 1HG ARG 32 -4.715 6.173 -5.788
61 2HG ARG 32 2HG ARG 32 -2.983 6.404 -5.884
62 1HD ARG 32 2HD ARG 32 -3.174 7.768 -7.886
63 2HD ARG 32 1HD ARG 32 -4.920 7.521 -7.972
64 HE ARG 32 HE ARG 32 -3.526 9.384 -6.290
65 1HH1 ARG 32 2HH1 ARG 32 -6.401 7.287 -6.298
66 2HH1 ARG 32 1HH1 ARG 32 -7.453 8.556 -5.698
67 1HH2 ARG 32 1HH2 ARG 32 -4.922 10.940 -5.296
68 2HH2 ARG 32 2HH2 ARG 32 -6.607 10.546 -5.031
69 H SER 33 H SER 33 -5.129 2.388 -7.830
70 HA SER 33 HA SER 33 -3.512 1.256 -9.951
71 1HB SER 33 2HB SER 33 -5.455 -0.011 -7.992
72 2HB SER 33 1HB SER 33 -4.335 -0.890 -9.051
73 HG SER 33 HG SER 33 -2.609 0.282 -8.050
74 H LYS 34 H LYS 34 -4.520 2.331 -11.749
75 HA LYS 34 HA LYS 34 -5.425 1.870 -13.800
76 1HB LYS 34 1HB LYS 34 -5.953 -0.480 -12.935
77 2HB LYS 34 2HB LYS 34 -7.602 0.092 -12.661
78 1HG LYS 34 2HG LYS 34 -6.142 0.252 -15.344
79 2HG LYS 34 1HG LYS 34 -7.075 -1.146 -14.800
80 1HD LYS 34 2HD LYS 34 -9.090 0.343 -14.537
81 2HD LYS 34 1HD LYS 34 -8.171 1.646 -15.316
82 1HE LYS 34 2HE LYS 34 -7.859 0.282 -17.333
83 2HE LYS 34 1HE LYS 34 -8.668 -1.100 -16.562
84 1HZ LYS 34 3HZ LYS 34 -10.654 0.240 -16.431
85 2HZ LYS 34 2HZ LYS 34 -9.888 1.482 -17.207
86 3HZ LYS 34 1HZ LYS 34 -10.142 0.057 -17.988
87 H SER 35 H SER 35 -5.618 4.131 -13.140
88 HA SER 35 HA SER 35 -8.128 5.224 -12.191
89 1HB SER 35 2HB SER 35 -5.805 6.624 -13.600
90 2HB SER 35 1HB SER 35 -7.001 7.333 -12.498
91 HG SER 35 HG SER 35 -6.033 5.511 -11.057
92 H GLY 36 H GLY 36 -9.168 3.765 -14.053
93 1HA GLY 36 1HA GLY 36 -10.631 3.956 -15.863
94 2HA GLY 36 2HA GLY 36 -10.096 5.622 -16.147
95 H GLU 37 H GLU 37 -7.525 5.581 -16.636
96 HA GLU 37 HA GLU 37 -7.161 4.199 -19.158
97 1HB GLU 37 1HB GLU 37 -5.113 5.627 -17.390
98 2HB GLU 37 2HB GLU 37 -4.937 5.244 -19.109
99 1HG GLU 37 1HG GLU 37 -6.902 7.232 -17.874
100 2HG GLU 37 2HG GLU 37 -5.491 7.594 -18.867
101 H GLU 38 H GLU 38 -5.216 2.794 -19.539
102 HA GLU 38 HA GLU 38 -5.239 0.561 -17.668
103 1HB GLU 38 2HB GLU 38 -3.662 1.019 -20.231
104 2HB GLU 38 1HB GLU 38 -3.771 -0.498 -19.328
105 1HG GLU 38 1HG GLU 38 -6.243 -0.525 -19.669
106 2HG GLU 38 2HG GLU 38 -6.123 0.952 -20.639
107 H ASP 39 H ASP 39 -4.407 2.256 -15.968
108 HA ASP 39 HA ASP 39 -1.421 1.996 -15.797
109 1HB ASP 39 2HB ASP 39 -1.236 4.074 -14.743
110 2HB ASP 39 1HB ASP 39 -2.092 4.315 -16.268
111 HA PRO 40 HA PRO 40 -3.416 -0.108 -12.150
112 1HB PRO 40 2HB PRO 40 -2.501 -2.618 -12.462
113 2HB PRO 40 1HB PRO 40 -3.851 -1.991 -13.449
114 1HG PRO 40 1HG PRO 40 -0.919 -2.079 -14.238
115 2HG PRO 40 2HG PRO 40 -2.308 -2.752 -15.143
116 1HD PRO 40 1HD PRO 40 -1.331 -0.276 -15.689
117 2HD PRO 40 2HD PRO 40 -3.091 -0.604 -15.716
118 H GLN 41 H GLN 41 -1.662 1.712 -11.686
119 HA GLN 41 HA GLN 41 1.015 0.955 -11.276
120 1HB GLN 41 1HB GLN 41 1.255 3.086 -10.130
121 2HB GLN 41 2HB GLN 41 0.191 3.252 -11.527
122 1HG GLN 41 2HG GLN 41 -1.760 2.979 -9.849
123 2HG GLN 41 1HG GLN 41 -0.554 3.207 -8.579
124 1HE2 GLN 41 1HE2 GLN 41 -1.870 6.403 -10.737
125 2HE2 GLN 41 2HE2 GLN 41 -2.597 4.811 -10.884
126 HA PRO 42 HA PRO 42 0.667 -1.420 -7.529
127 1HB PRO 42 2HB PRO 42 3.228 -1.468 -6.623
128 2HB PRO 42 1HB PRO 42 2.747 -2.226 -8.164
129 1HG PRO 42 2HG PRO 42 3.939 0.540 -7.790
130 2HG PRO 42 1HG PRO 42 4.507 -0.752 -8.890
131 1HD PRO 42 1HD PRO 42 2.856 1.232 -9.754
132 2HD PRO 42 2HD PRO 42 2.654 -0.447 -10.339
133 H GLN 43 H GLN 43 -0.727 0.470 -6.820
134 HA GLN 43 HA GLN 43 0.100 2.550 -5.140
135 1HB GLN 43 1HB GLN 43 -2.178 2.366 -5.917
136 2HB GLN 43 2HB GLN 43 -2.377 0.784 -5.154
137 1HG GLN 43 1HG GLN 43 -3.566 2.442 -3.937
138 2HG GLN 43 2HG GLN 43 -2.306 1.785 -2.911
139 1HE2 GLN 43 2HE2 GLN 43 -0.564 4.908 -2.615
140 2HE2 GLN 43 1HE2 GLN 43 -0.272 3.175 -2.637
141 H CYS 44 H CYS 44 -0.617 -0.853 -4.344
142 HA CYS 44 HA CYS 44 1.237 -0.981 -2.151
143 1HB CYS 44 2HB CYS 44 -1.736 -0.792 -1.628
144 2HB CYS 44 1HB CYS 44 -0.820 -2.024 -0.757
145 H GLN 45 H GLN 45 1.559 -3.299 -1.720
146 HA GLN 45 HA GLN 45 1.478 -4.856 -4.010
147 1HB GLN 45 2HB GLN 45 2.217 -5.146 -1.170
148 2HB GLN 45 1HB GLN 45 1.669 -6.645 -1.866
149 1HG GLN 45 2HG GLN 45 4.032 -6.342 -2.068
150 2HG GLN 45 1HG GLN 45 3.254 -6.619 -3.629
151 1HE2 GLN 45 2HE2 GLN 45 4.597 -2.736 -2.970
152 2HE2 GLN 45 1HE2 GLN 45 3.518 -3.469 -1.830
153 H HIS 46 H HIS 46 -0.786 -5.054 -1.233
154 HA HIS 46 HA HIS 46 -2.409 -7.050 -2.786
155 1HB HIS 46 1HB HIS 46 -1.959 -6.611 0.133
156 2HB HIS 46 2HB HIS 46 -3.278 -7.625 -0.498
157 HD2 HIS 46 HD2 HIS 46 0.160 -8.145 -2.290
158 HE1 HIS 46 HE1 HIS 46 -0.336 -11.213 0.547
159 HE2 HIS 46 HE2 HIS 46 1.085 -10.400 -1.394
160 H LEU 47 H LEU 47 -3.558 -5.113 0.054
161 HA LEU 47 HA LEU 47 -5.249 -3.555 -1.798
162 1HB LEU 47 2HB LEU 47 -7.359 -4.323 -0.961
163 2HB LEU 47 1HB LEU 47 -6.462 -5.634 -1.687
164 HG LEU 47 HG LEU 47 -7.740 -6.358 0.204
165 1HD1 LEU 47 3HD2 LEU 47 -5.612 -7.524 -0.290
166 2HD1 LEU 47 2HD2 LEU 47 -4.834 -6.574 1.004
167 3HD1 LEU 47 1HD2 LEU 47 -6.161 -7.674 1.387
168 1HD2 LEU 47 3HD1 LEU 47 -7.711 -4.259 1.541
169 2HD2 LEU 47 1HD1 LEU 47 -7.355 -5.716 2.487
170 3HD2 LEU 47 2HD1 LEU 47 -6.036 -4.637 2.013
171 H CYS 48 H CYS 48 -7.035 -2.302 -0.378
172 HA CYS 48 HA CYS 48 -5.798 -1.266 2.058
173 1HB CYS 48 1HB CYS 48 -6.789 0.792 0.107
174 2HB CYS 48 2HB CYS 48 -5.592 0.954 1.371
175 H HIS 49 H HIS 49 -7.094 0.388 3.107
176 HA HIS 49 HA HIS 49 -10.031 0.105 2.708
177 1HB HIS 49 1HB HIS 49 -8.707 0.335 5.405
178 2HB HIS 49 2HB HIS 49 -10.354 -0.172 5.052
179 HD2 HIS 49 HD2 HIS 49 -6.651 -1.619 4.650
180 HE1 HIS 49 HE1 HIS 49 -9.262 -4.609 6.122
181 HE2 HIS 49 HE2 HIS 49 -6.812 -3.976 5.728
182 H ASN 50 H ASN 50 -11.079 2.183 3.292
183 HA ASN 50 HA ASN 50 -9.210 4.443 3.243
184 1HB ASN 50 1HB ASN 50 -12.218 4.402 3.326
185 2HB ASN 50 2HB ASN 50 -11.269 5.853 3.316
186 1HD2 ASN 50 2HD2 ASN 50 -10.263 5.837 0.033
187 2HD2 ASN 50 1HD2 ASN 50 -9.567 5.986 1.655
188 H TYR 51 H TYR 51 -9.634 6.284 4.685
189 HA TYR 51 HA TYR 51 -10.886 6.258 7.128
190 1HB TYR 51 1HB TYR 51 -9.378 5.860 8.808
191 2HB TYR 51 2HB TYR 51 -9.103 4.492 7.769
192 HD1 TYR 51 HD1 TYR 51 -7.249 5.723 5.698
193 HD2 TYR 51 HD2 TYR 51 -7.385 6.124 9.985
194 HE1 TYR 51 HE1 TYR 51 -4.803 6.127 5.750
195 HE2 TYR 51 HE2 TYR 51 -4.968 6.608 10.010
196 HH TYR 51 HH TYR 51 -3.012 6.677 8.777
197 H VAL 52 H VAL 52 -9.564 8.095 8.637
198 HA VAL 52 HA VAL 52 -9.768 10.408 7.201
199 HB VAL 52 HB VAL 52 -9.931 10.082 9.665
200 1HG1 VAL 52 1HG1 VAL 52 -7.883 8.689 10.014
201 2HG1 VAL 52 3HG1 VAL 52 -6.880 10.124 9.702
202 3HG1 VAL 52 2HG1 VAL 52 -7.973 10.087 11.092
203 1HG2 VAL 52 3HG2 VAL 52 -9.753 12.306 8.686
204 2HG2 VAL 52 1HG2 VAL 52 -9.010 12.219 10.300
205 3HG2 VAL 52 2HG2 VAL 52 -7.978 12.245 8.847
206 H GLY 53 H GLY 53 -6.871 8.538 7.712
207 1HA GLY 53 2HA GLY 53 -5.147 10.521 6.350
208 2HA GLY 53 1HA GLY 53 -4.656 8.933 6.937
209 H GLY 54 H GLY 54 -7.469 9.590 4.808
210 1HA GLY 54 1HA GLY 54 -7.845 9.113 2.626
211 2HA GLY 54 2HA GLY 54 -6.124 8.862 2.332
212 H TYR 55 H TYR 55 -5.294 6.822 3.352
213 HA TYR 55 HA TYR 55 -7.137 4.635 3.738
214 1HB TYR 55 2HB TYR 55 -6.423 3.260 1.781
215 2HB TYR 55 1HB TYR 55 -7.380 4.661 1.349
216 HD1 TYR 55 HD2 TYR 55 -3.936 3.223 1.345
217 HD2 TYR 55 HD1 TYR 55 -6.448 6.469 0.037
218 HE1 TYR 55 HE2 TYR 55 -2.079 4.105 -0.044
219 HE2 TYR 55 HE1 TYR 55 -4.632 7.268 -1.457
220 HH TYR 55 HH TYR 55 -2.478 6.150 -2.553
221 H PHE 56 H PHE 56 -6.318 2.760 4.487
222 HA PHE 56 HA PHE 56 -3.402 2.711 5.108
223 1HB PHE 56 2HB PHE 56 -3.844 1.525 7.108
224 2HB PHE 56 1HB PHE 56 -4.675 3.069 7.149
225 HD1 PHE 56 HD2 PHE 56 -7.184 3.152 6.963
226 HD2 PHE 56 HD1 PHE 56 -5.054 -0.591 7.160
227 HE1 PHE 56 HE2 PHE 56 -9.213 2.044 7.855
228 HE2 PHE 56 HE1 PHE 56 -7.089 -1.697 8.031
229 HZ PHE 56 HZ PHE 56 -9.158 -0.376 8.431
230 H CYS 57 H CYS 57 -2.388 0.962 4.246
231 HA CYS 57 HA CYS 57 -3.951 -0.830 2.598
232 1HB CYS 57 2HB CYS 57 -0.972 -0.711 3.035
233 2HB CYS 57 1HB CYS 57 -1.797 -1.756 1.882
234 H SER 58 H SER 58 -3.306 -3.190 2.596
235 HA SER 58 HA SER 58 -2.645 -4.498 5.076
236 1HB SER 58 1HB SER 58 -5.529 -4.445 4.132
237 2HB SER 58 2HB SER 58 -4.922 -5.723 5.183
238 HG SER 58 HG SER 58 -4.429 -3.100 5.982
239 H CYS 59 H CYS 59 -3.358 -6.985 4.643
240 HA CYS 59 HA CYS 59 -2.632 -7.622 1.848
241 1HB CYS 59 2HB CYS 59 -1.493 -8.929 4.352
242 2HB CYS 59 1HB CYS 59 -0.972 -9.218 2.701
243 H ARG 60 H ARG 60 -3.020 -9.923 1.347
244 HA ARG 60 HA ARG 60 -5.621 -10.753 2.284
245 1HB ARG 60 1HB ARG 60 -5.382 -12.599 0.776
246 2HB ARG 60 2HB ARG 60 -4.630 -11.199 0.017
247 1HG ARG 60 1HG ARG 60 -2.398 -12.153 1.087
248 2HG ARG 60 2HG ARG 60 -3.330 -13.638 1.287
249 1HD ARG 60 1HD ARG 60 -2.111 -13.779 -0.778
250 2HD ARG 60 2HD ARG 60 -3.839 -13.609 -1.166
251 HE ARG 60 HE ARG 60 -2.621 -11.027 -1.063
252 1HH1 ARG 60 1HH1 ARG 60 -2.608 -13.926 -3.075
253 2HH1 ARG 60 2HH1 ARG 60 -2.155 -13.090 -4.536
254 1HH2 ARG 60 1HH2 ARG 60 -2.031 -9.917 -2.945
255 2HH2 ARG 60 2HH2 ARG 60 -1.835 -10.751 -4.463
256 HA PRO 61 HA PRO 61 -4.548 -13.037 5.888
257 1HB PRO 61 1HB PRO 61 -5.695 -15.574 4.819
258 2HB PRO 61 2HB PRO 61 -6.063 -14.759 6.359
259 1HG PRO 61 2HG PRO 61 -7.838 -14.589 4.289
260 2HG PRO 61 1HG PRO 61 -7.480 -13.166 5.310
261 1HD PRO 61 2HD PRO 61 -6.367 -13.818 2.578
262 2HD PRO 61 1HD PRO 61 -6.983 -12.261 3.210
263 H GLY 62 H GLY 62 -2.999 -14.524 6.697
264 1HA GLY 62 2HA GLY 62 -1.145 -15.902 6.642
265 2HA GLY 62 1HA GLY 62 -1.489 -16.313 4.958
266 H TYR 63 H TYR 63 -1.426 -12.914 5.110
267 HA TYR 63 HA TYR 63 1.473 -12.702 4.813
268 1HB TYR 63 1HB TYR 63 -0.668 -11.620 2.935
269 2HB TYR 63 2HB TYR 63 0.975 -11.004 2.979
270 HD1 TYR 63 HD1 TYR 63 -0.952 -14.182 2.407
271 HD2 TYR 63 HD2 TYR 63 2.584 -11.882 1.534
272 HE1 TYR 63 HE1 TYR 63 -0.261 -15.878 0.751
273 HE2 TYR 63 HE2 TYR 63 3.273 -13.579 -0.133
274 HH TYR 63 HH TYR 63 1.355 -16.523 -0.769
275 H GLU 64 H GLU 64 2.201 -10.428 5.022
276 HA GLU 64 HA GLU 64 0.453 -8.789 6.766
277 1HB GLU 64 2HB GLU 64 3.228 -9.714 7.619
278 2HB GLU 64 1HB GLU 64 2.142 -8.686 8.539
279 1HG GLU 64 1HG GLU 64 1.727 -11.647 7.901
280 2HG GLU 64 2HG GLU 64 2.252 -10.962 9.434
281 H LEU 65 H LEU 65 1.184 -6.629 6.895
282 HA LEU 65 HA LEU 65 2.776 -5.787 4.612
283 1HB LEU 65 1HB LEU 65 1.459 -4.341 6.953
284 2HB LEU 65 2HB LEU 65 2.568 -3.498 5.877
285 HG LEU 65 HG LEU 65 -0.004 -4.820 4.954
286 1HD1 LEU 65 1HD2 LEU 65 0.740 -1.945 5.596
287 2HD1 LEU 65 3HD2 LEU 65 -0.699 -2.427 4.695
288 3HD1 LEU 65 2HD2 LEU 65 -0.494 -2.948 6.381
289 1HD2 LEU 65 1HD1 LEU 65 1.953 -2.949 3.515
290 2HD2 LEU 65 3HD1 LEU 65 1.707 -4.648 3.115
291 3HD2 LEU 65 2HD1 LEU 65 0.394 -3.498 2.875
292 H GLN 66 H GLN 66 4.776 -4.922 4.609
293 HA GLN 66 HA GLN 66 6.511 -5.617 6.917
294 1HB GLN 66 1HB GLN 66 7.188 -4.535 4.160
295 2HB GLN 66 2HB GLN 66 8.319 -5.196 5.344
296 1HG GLN 66 1HG GLN 66 6.145 -6.676 3.768
297 2HG GLN 66 2HG GLN 66 7.891 -6.840 3.643
298 1HE2 GLN 66 1HE2 GLN 66 5.831 -9.187 6.251
299 2HE2 GLN 66 2HE2 GLN 66 4.984 -7.970 5.350
300 H GLU 67 H GLU 67 8.371 -3.919 7.166
301 HA GLU 67 HA GLU 67 7.188 -1.534 8.275
302 1HB GLU 67 1HB GLU 67 10.107 -2.383 7.983
303 2HB GLU 67 2HB GLU 67 9.513 -1.035 8.961
304 1HG GLU 67 2HG GLU 67 8.156 -2.614 10.328
305 2HG GLU 67 1HG GLU 67 8.795 -3.976 9.395
306 H ASP 68 H ASP 68 6.339 -1.105 6.186
307 HA ASP 68 HA ASP 68 7.372 1.310 5.028
308 1HB ASP 68 2HB ASP 68 7.547 0.501 2.680
309 2HB ASP 68 1HB ASP 68 8.806 -0.147 3.732
310 H ARG 69 H ARG 69 4.925 -1.144 5.434
311 HA ARG 69 HA ARG 69 2.814 -1.337 4.977
312 1HB ARG 69 1HB ARG 69 1.350 0.420 5.486
313 2HB ARG 69 2HB ARG 69 2.748 0.457 6.565
314 1HG ARG 69 2HG ARG 69 3.466 2.517 5.776
315 2HG ARG 69 1HG ARG 69 2.857 2.262 4.142
316 1HD ARG 69 1HD ARG 69 0.979 2.721 6.475
317 2HD ARG 69 2HD ARG 69 1.634 4.013 5.443
318 HE ARG 69 HE ARG 69 0.570 1.993 3.764
319 1HH1 ARG 69 1HH2 ARG 69 -0.598 4.478 6.033
320 2HH1 ARG 69 2HH2 ARG 69 -2.030 4.828 5.087
321 1HH2 ARG 69 1HH1 ARG 69 -1.276 2.586 2.506
322 2HH2 ARG 69 2HH1 ARG 69 -2.419 3.765 3.136
323 H HIS 70 H HIS 70 4.448 -1.120 2.684
324 HA HIS 70 HA HIS 70 2.395 -0.412 0.624
325 1HB HIS 70 2HB HIS 70 4.317 1.093 0.560
326 2HB HIS 70 1HB HIS 70 5.431 -0.278 0.434
327 HD2 HIS 70 HD2 HIS 70 2.880 1.759 -1.691
328 HE1 HIS 70 HE1 HIS 70 4.850 -0.939 -4.282
329 HE2 HIS 70 HE2 HIS 70 3.178 0.972 -4.185
330 H SER 71 H SER 71 4.984 -2.539 1.704
331 HA SER 71 HA SER 71 4.358 -4.575 -0.396
332 1HB SER 71 2HB SER 71 6.867 -4.099 1.239
333 2HB SER 71 1HB SER 71 6.631 -5.405 0.062
334 HG SER 71 HG SER 71 6.238 -2.685 -0.647
335 H CYS 72 H CYS 72 3.794 -6.607 0.132
336 HA CYS 72 HA CYS 72 3.446 -7.235 3.022
337 1HB CYS 72 1HB CYS 72 2.065 -8.598 0.701
338 2HB CYS 72 2HB CYS 72 1.807 -8.851 2.398
339 H GLN 73 H GLN 73 4.112 -9.312 3.715
340 HA GLN 73 HA GLN 73 5.316 -11.143 1.719
341 1HB GLN 73 2HB GLN 73 6.790 -10.397 4.284
342 2HB GLN 73 1HB GLN 73 7.200 -11.702 3.173
343 1HG GLN 73 2HG GLN 73 7.411 -10.037 1.309
344 2HG GLN 73 1HG GLN 73 7.302 -8.749 2.507
345 1HE2 GLN 73 2HE2 GLN 73 10.539 -9.806 4.004
346 2HE2 GLN 73 1HE2 GLN 73 8.939 -9.379 4.578
347 H ALA 74 H ALA 74 5.727 -13.332 3.013
348 HA ALA 74 HA ALA 74 3.078 -13.960 4.172
349 1HB ALA 74 1HB ALA 74 3.945 -15.300 2.325
350 2HB ALA 74 2HB ALA 74 5.361 -15.740 3.323
351 3HB ALA 74 3HB ALA 74 3.720 -16.252 3.814
352 H GLU 75 H GLU 75 4.491 -12.360 5.726
353 HA GLU 75 HA GLU 75 4.613 -13.384 8.282
354 1HB GLU 75 2HB GLU 75 7.065 -13.188 8.716
355 2HB GLU 75 1HB GLU 75 6.623 -14.654 7.846
356 1HG GLU 75 1HG GLU 75 7.528 -12.221 6.262
357 2HG GLU 75 2HG GLU 75 8.721 -13.167 7.150
No H/Q in entry = 357
Start of MODEL 19
1 1H ALA 23 3H ALA 23 -0.059 11.453 -6.453
2 2H ALA 23 2H ALA 23 -1.344 10.463 -6.633
3 3H ALA 23 1H ALA 23 0.191 9.957 -7.063
4 HA ALA 23 HA ALA 23 0.292 11.610 -8.752
5 1HB ALA 23 2HB ALA 23 -0.555 9.347 -9.336
6 2HB ALA 23 1HB ALA 23 -2.198 9.856 -8.933
7 3HB ALA 23 3HB ALA 23 -1.355 10.585 -10.324
8 H VAL 24 H VAL 24 -1.216 12.999 -10.251
9 HA VAL 24 HA VAL 24 -2.549 14.965 -8.564
10 HB VAL 24 HB VAL 24 -3.003 16.118 -10.716
11 1HG1 VAL 24 1HG2 VAL 24 -0.974 16.556 -9.401
12 2HG1 VAL 24 3HG2 VAL 24 -0.113 15.282 -10.287
13 3HG1 VAL 24 2HG2 VAL 24 -0.679 16.728 -11.140
14 1HG2 VAL 24 2HG1 VAL 24 -3.092 14.111 -12.247
15 2HG2 VAL 24 3HG1 VAL 24 -1.995 15.385 -12.788
16 3HG2 VAL 24 1HG1 VAL 24 -1.343 13.923 -12.044
17 H ASP 25 H ASP 25 -3.903 12.900 -7.826
18 HA ASP 25 HA ASP 25 -6.609 13.341 -8.552
19 1HB ASP 25 2HB ASP 25 -7.049 10.989 -9.379
20 2HB ASP 25 1HB ASP 25 -6.190 12.010 -10.535
21 H LEU 26 H LEU 26 -7.960 12.062 -7.138
22 HA LEU 26 HA LEU 26 -6.550 10.995 -4.719
23 1HB LEU 26 2HB LEU 26 -9.311 12.247 -4.848
24 2HB LEU 26 1HB LEU 26 -8.357 11.862 -3.406
25 HG LEU 26 HG LEU 26 -7.734 14.051 -5.442
26 1HD1 LEU 26 2HD2 LEU 26 -9.695 14.520 -4.032
27 2HD1 LEU 26 3HD2 LEU 26 -8.734 14.198 -2.572
28 3HD1 LEU 26 1HD2 LEU 26 -8.332 15.575 -3.620
29 1HD2 LEU 26 3HD1 LEU 26 -5.640 13.137 -4.408
30 2HD2 LEU 26 2HD1 LEU 26 -5.997 14.782 -3.869
31 3HD2 LEU 26 1HD1 LEU 26 -6.347 13.412 -2.802
32 H ASP 27 H ASP 27 -9.115 9.954 -3.714
33 HA ASP 27 HA ASP 27 -10.170 7.965 -3.705
34 1HB ASP 27 1HB ASP 27 -11.765 7.607 -5.507
35 2HB ASP 27 2HB ASP 27 -11.712 9.300 -5.017
36 H GLU 28 H GLU 28 -7.548 7.668 -4.084
37 HA GLU 28 HA GLU 28 -7.148 5.339 -5.880
38 1HB GLU 28 2HB GLU 28 -5.283 7.039 -4.778
39 2HB GLU 28 1HB GLU 28 -5.324 5.860 -3.494
40 1HG GLU 28 2HG GLU 28 -3.587 5.215 -4.990
41 2HG GLU 28 1HG GLU 28 -4.899 4.039 -5.154
42 H CYS 29 H CYS 29 -7.222 6.204 -2.511
43 HA CYS 29 HA CYS 29 -8.945 4.000 -1.671
44 1HB CYS 29 2HB CYS 29 -6.187 4.520 -0.505
45 2HB CYS 29 1HB CYS 29 -7.420 3.453 0.197
46 H ALA 30 H ALA 30 -9.767 6.362 -2.182
47 HA ALA 30 HA ALA 30 -10.969 8.113 -1.504
48 1HB ALA 30 3HB ALA 30 -10.195 7.493 1.369
49 2HB ALA 30 2HB ALA 30 -11.326 8.732 0.825
50 3HB ALA 30 1HB ALA 30 -11.695 7.044 0.507
51 H SER 31 H SER 31 -8.600 8.752 1.085
52 HA SER 31 HA SER 31 -8.280 11.410 0.060
53 1HB SER 31 2HB SER 31 -6.479 10.006 2.028
54 2HB SER 31 1HB SER 31 -6.719 11.742 1.846
55 HG SER 31 HG SER 31 -8.518 9.800 2.909
56 H ARG 32 H ARG 32 -6.132 8.574 0.068
57 HA ARG 32 HA ARG 32 -4.297 8.000 -1.088
58 1HB ARG 32 2HB ARG 32 -5.481 8.779 -3.173
59 2HB ARG 32 1HB ARG 32 -4.649 10.334 -2.993
60 1HG ARG 32 2HG ARG 32 -2.469 8.977 -2.793
61 2HG ARG 32 1HG ARG 32 -3.369 7.581 -3.361
62 1HD ARG 32 2HD ARG 32 -3.664 8.618 -5.539
63 2HD ARG 32 1HD ARG 32 -3.258 10.204 -4.893
64 HE ARG 32 HE ARG 32 -0.997 9.635 -4.606
65 1HH1 ARG 32 2HH2 ARG 32 -2.672 7.085 -6.510
66 2HH1 ARG 32 1HH2 ARG 32 -1.155 6.309 -6.898
67 1HH2 ARG 32 1HH1 ARG 32 0.852 8.511 -5.043
68 2HH2 ARG 32 2HH1 ARG 32 0.842 7.077 -6.033
69 H SER 33 H SER 33 -4.336 11.592 -1.070
70 HA SER 33 HA SER 33 -3.015 13.143 -0.166
71 1HB SER 33 1HB SER 33 -1.758 11.001 1.583
72 2HB SER 33 2HB SER 33 -1.844 12.746 1.867
73 HG SER 33 HG SER 33 -3.513 11.593 2.970
74 H LYS 34 H LYS 34 -1.174 10.254 -1.127
75 HA LYS 34 HA LYS 34 1.339 11.532 -1.579
76 1HB LYS 34 2HB LYS 34 0.060 9.011 -2.722
77 2HB LYS 34 1HB LYS 34 1.731 9.500 -3.001
78 1HG LYS 34 2HG LYS 34 2.152 9.463 -0.536
79 2HG LYS 34 1HG LYS 34 0.481 8.941 -0.281
80 1HD LYS 34 2HD LYS 34 1.841 6.979 -0.182
81 2HD LYS 34 1HD LYS 34 0.960 6.915 -1.724
82 1HE LYS 34 1HE LYS 34 2.998 7.714 -2.909
83 2HE LYS 34 2HE LYS 34 3.859 7.813 -1.358
84 1HZ LYS 34 1HZ LYS 34 3.517 5.435 -1.156
85 2HZ LYS 34 2HZ LYS 34 2.740 5.412 -2.616
86 3HZ LYS 34 3HZ LYS 34 4.336 5.812 -2.537
87 H SER 35 H SER 35 0.415 13.530 -2.551
88 HA SER 35 HA SER 35 -0.815 13.730 -5.047
89 1HB SER 35 2HB SER 35 0.091 16.072 -4.983
90 2HB SER 35 1HB SER 35 -0.734 15.551 -3.500
91 HG SER 35 HG SER 35 1.217 16.494 -2.914
92 H GLY 36 H GLY 36 2.435 14.814 -4.655
93 1HA GLY 36 1HA GLY 36 3.309 14.935 -7.256
94 2HA GLY 36 2HA GLY 36 4.398 14.626 -5.898
95 H GLU 37 H GLU 37 3.226 11.958 -5.332
96 HA GLU 37 HA GLU 37 4.911 10.382 -7.038
97 1HB GLU 37 2HB GLU 37 2.738 9.518 -5.086
98 2HB GLU 37 1HB GLU 37 4.009 8.511 -5.776
99 1HG GLU 37 2HG GLU 37 5.078 8.975 -3.848
100 2HG GLU 37 1HG GLU 37 5.608 10.411 -4.718
101 H GLU 38 H GLU 38 4.123 10.980 -9.143
102 HA GLU 38 HA GLU 38 1.501 10.390 -10.090
103 1HB GLU 38 2HB GLU 38 4.038 10.614 -11.732
104 2HB GLU 38 1HB GLU 38 2.375 10.747 -12.306
105 1HG GLU 38 2HG GLU 38 3.896 12.700 -10.552
106 2HG GLU 38 1HG GLU 38 3.215 12.969 -12.150
107 H ASP 39 H ASP 39 1.444 8.289 -8.920
108 HA ASP 39 HA ASP 39 1.629 6.112 -10.954
109 1HB ASP 39 1HB ASP 39 2.171 4.569 -9.008
110 2HB ASP 39 2HB ASP 39 3.462 5.566 -9.675
111 HA PRO 40 HA PRO 40 -2.583 6.699 -9.079
112 1HB PRO 40 2HB PRO 40 -4.072 6.756 -11.358
113 2HB PRO 40 1HB PRO 40 -3.188 8.170 -10.734
114 1HG PRO 40 1HG PRO 40 -2.266 6.241 -12.874
115 2HG PRO 40 2HG PRO 40 -2.291 8.026 -12.949
116 1HD PRO 40 2HD PRO 40 -0.034 6.671 -12.287
117 2HD PRO 40 1HD PRO 40 -0.444 8.204 -11.481
118 H GLN 41 H GLN 41 -1.685 4.548 -8.395
119 HA GLN 41 HA GLN 41 -3.270 2.300 -9.485
120 1HB GLN 41 1HB GLN 41 -0.251 2.380 -8.894
121 2HB GLN 41 2HB GLN 41 -1.171 0.889 -8.988
122 1HG GLN 41 2HG GLN 41 -0.310 0.958 -11.084
123 2HG GLN 41 1HG GLN 41 -1.888 1.690 -11.370
124 1HE2 GLN 41 2HE2 GLN 41 -0.384 4.611 -12.702
125 2HE2 GLN 41 1HE2 GLN 41 -1.885 3.796 -12.266
126 HA PRO 42 HA PRO 42 -4.017 1.748 -5.107
127 1HB PRO 42 2HB PRO 42 -3.808 -0.996 -4.742
128 2HB PRO 42 1HB PRO 42 -5.225 -0.172 -5.456
129 1HG PRO 42 2HG PRO 42 -2.908 -1.469 -6.908
130 2HG PRO 42 1HG PRO 42 -4.656 -1.676 -7.231
131 1HD PRO 42 2HD PRO 42 -3.197 0.020 -8.716
132 2HD PRO 42 1HD PRO 42 -4.812 0.532 -8.161
133 H GLN 43 H GLN 43 -2.497 2.394 -3.691
134 HA GLN 43 HA GLN 43 0.297 2.003 -4.135
135 1HB GLN 43 1HB GLN 43 -1.154 2.977 -1.643
136 2HB GLN 43 2HB GLN 43 0.556 3.232 -2.033
137 1HG GLN 43 2HG GLN 43 -1.779 4.343 -3.678
138 2HG GLN 43 1HG GLN 43 -0.859 5.223 -2.471
139 1HE2 GLN 43 2HE2 GLN 43 0.722 4.795 -6.192
140 2HE2 GLN 43 1HE2 GLN 43 -0.795 3.987 -5.793
141 H CYS 44 H CYS 44 -1.995 0.527 -1.845
142 HA CYS 44 HA CYS 44 -0.082 -1.063 -0.393
143 1HB CYS 44 2HB CYS 44 -3.052 -1.516 -0.886
144 2HB CYS 44 1HB CYS 44 -2.076 -2.304 0.356
145 H GLN 45 H GLN 45 0.752 -3.253 -0.918
146 HA GLN 45 HA GLN 45 0.798 -3.956 -3.581
147 1HB GLN 45 2HB GLN 45 2.431 -4.435 -1.755
148 2HB GLN 45 1HB GLN 45 1.268 -5.583 -1.049
149 1HG GLN 45 2HG GLN 45 1.219 -6.600 -3.325
150 2HG GLN 45 1HG GLN 45 2.699 -5.738 -3.744
151 1HE2 GLN 45 2HE2 GLN 45 4.706 -7.683 -1.388
152 2HE2 GLN 45 1HE2 GLN 45 4.639 -6.153 -2.274
153 H HIS 46 H HIS 46 -1.269 -5.053 -0.866
154 HA HIS 46 HA HIS 46 -2.821 -6.835 -2.715
155 1HB HIS 46 1HB HIS 46 -2.570 -6.710 0.274
156 2HB HIS 46 2HB HIS 46 -3.779 -7.707 -0.567
157 HD2 HIS 46 HD2 HIS 46 -0.343 -7.805 -2.282
158 HE1 HIS 46 HE1 HIS 46 -0.428 -11.029 0.415
159 HE2 HIS 46 HE2 HIS 46 0.956 -9.855 -1.403
160 H LEU 47 H LEU 47 -3.877 -5.102 0.297
161 HA LEU 47 HA LEU 47 -5.698 -3.499 -1.399
162 1HB LEU 47 2HB LEU 47 -7.693 -4.330 -0.177
163 2HB LEU 47 1HB LEU 47 -6.900 -5.501 -1.219
164 HG LEU 47 HG LEU 47 -5.717 -6.382 0.946
165 1HD1 LEU 47 2HD1 LEU 47 -8.092 -4.881 2.142
166 2HD1 LEU 47 3HD1 LEU 47 -7.095 -6.091 2.978
167 3HD1 LEU 47 1HD1 LEU 47 -6.379 -4.554 2.467
168 1HD2 LEU 47 1HD2 LEU 47 -8.697 -6.760 0.494
169 2HD2 LEU 47 3HD2 LEU 47 -7.387 -7.633 -0.333
170 3HD2 LEU 47 2HD2 LEU 47 -7.627 -7.848 1.407
171 H CYS 48 H CYS 48 -7.005 -2.010 -0.272
172 HA CYS 48 HA CYS 48 -5.546 -0.649 1.959
173 1HB CYS 48 2HB CYS 48 -7.451 0.361 -0.199
174 2HB CYS 48 1HB CYS 48 -6.897 1.315 1.176
175 H HIS 49 H HIS 49 -6.883 0.464 3.425
176 HA HIS 49 HA HIS 49 -9.822 -0.031 3.466
177 1HB HIS 49 1HB HIS 49 -7.925 0.546 5.763
178 2HB HIS 49 2HB HIS 49 -9.696 0.443 5.851
179 HD2 HIS 49 HD2 HIS 49 -6.550 -1.883 5.342
180 HE1 HIS 49 HE1 HIS 49 -9.739 -4.144 6.973
181 HE2 HIS 49 HE2 HIS 49 -7.227 -4.147 6.445
182 H ASN 50 H ASN 50 -10.713 1.936 2.943
183 HA ASN 50 HA ASN 50 -8.942 4.256 2.590
184 1HB ASN 50 1HB ASN 50 -11.948 4.160 2.287
185 2HB ASN 50 2HB ASN 50 -10.859 5.409 1.760
186 1HD2 ASN 50 2HD2 ASN 50 -11.188 3.997 -1.479
187 2HD2 ASN 50 1HD2 ASN 50 -11.736 5.267 -0.421
188 H TYR 51 H TYR 51 -9.472 6.328 3.515
189 HA TYR 51 HA TYR 51 -11.281 6.820 5.537
190 1HB TYR 51 2HB TYR 51 -10.399 6.489 7.548
191 2HB TYR 51 1HB TYR 51 -9.512 5.197 6.782
192 HD1 TYR 51 HD1 TYR 51 -7.305 6.665 5.436
193 HD2 TYR 51 HD2 TYR 51 -9.050 7.134 9.335
194 HE1 TYR 51 HE1 TYR 51 -5.098 7.397 6.341
195 HE2 TYR 51 HE2 TYR 51 -6.877 7.929 10.214
196 HH TYR 51 HH TYR 51 -3.981 8.253 8.152
197 H VAL 52 H VAL 52 -10.490 8.972 6.830
198 HA VAL 52 HA VAL 52 -9.821 10.815 4.743
199 HB VAL 52 HB VAL 52 -11.588 11.069 6.524
200 1HG1 VAL 52 1HG1 VAL 52 -10.220 10.185 8.464
201 2HG1 VAL 52 3HG1 VAL 52 -9.268 11.681 8.412
202 3HG1 VAL 52 2HG1 VAL 52 -11.000 11.745 8.768
203 1HG2 VAL 52 2HG2 VAL 52 -10.742 12.960 5.242
204 2HG2 VAL 52 1HG2 VAL 52 -11.197 13.420 6.902
205 3HG2 VAL 52 3HG2 VAL 52 -9.476 13.237 6.471
206 H GLY 53 H GLY 53 -7.924 11.856 4.409
207 1HA GLY 53 1HA GLY 53 -5.896 12.891 5.045
208 2HA GLY 53 2HA GLY 53 -5.853 11.965 6.547
209 H GLY 54 H GLY 54 -6.630 9.560 4.514
210 1HA GLY 54 2HA GLY 54 -4.420 9.173 2.787
211 2HA GLY 54 1HA GLY 54 -3.954 8.516 4.361
212 H TYR 55 H TYR 55 -4.193 6.383 4.328
213 HA TYR 55 HA TYR 55 -6.644 4.985 4.189
214 1HB TYR 55 2HB TYR 55 -6.034 3.487 2.316
215 2HB TYR 55 1HB TYR 55 -6.452 5.108 1.810
216 HD1 TYR 55 HD1 TYR 55 -3.774 2.594 2.041
217 HD2 TYR 55 HD2 TYR 55 -4.768 6.549 0.677
218 HE1 TYR 55 HE1 TYR 55 -1.441 2.900 1.259
219 HE2 TYR 55 HE2 TYR 55 -2.449 6.832 -0.155
220 HH TYR 55 HH TYR 55 -0.340 6.030 -0.088
221 H PHE 56 H PHE 56 -6.035 2.615 4.677
222 HA PHE 56 HA PHE 56 -3.216 2.338 5.583
223 1HB PHE 56 2HB PHE 56 -3.837 1.328 7.662
224 2HB PHE 56 1HB PHE 56 -4.389 2.991 7.581
225 HD1 PHE 56 HD2 PHE 56 -6.857 3.493 7.239
226 HD2 PHE 56 HD1 PHE 56 -5.386 -0.506 7.949
227 HE1 PHE 56 HE2 PHE 56 -9.113 2.780 7.949
228 HE2 PHE 56 HE1 PHE 56 -7.628 -1.193 8.714
229 HZ PHE 56 HZ PHE 56 -9.488 0.465 8.796
230 H CYS 57 H CYS 57 -2.374 0.392 5.088
231 HA CYS 57 HA CYS 57 -3.919 -1.242 3.261
232 1HB CYS 57 2HB CYS 57 -1.082 -1.612 4.278
233 2HB CYS 57 1HB CYS 57 -1.788 -2.393 2.869
234 H SER 58 H SER 58 -3.686 -3.552 3.220
235 HA SER 58 HA SER 58 -3.144 -5.126 5.532
236 1HB SER 58 1HB SER 58 -6.040 -4.843 4.680
237 2HB SER 58 2HB SER 58 -5.454 -6.204 5.621
238 HG SER 58 HG SER 58 -4.814 -3.678 6.589
239 H CYS 59 H CYS 59 -3.872 -7.520 4.799
240 HA CYS 59 HA CYS 59 -3.347 -7.836 1.908
241 1HB CYS 59 2HB CYS 59 -1.419 -8.628 4.134
242 2HB CYS 59 1HB CYS 59 -1.315 -9.284 2.525
243 H ARG 60 H ARG 60 -3.119 -10.152 1.349
244 HA ARG 60 HA ARG 60 -5.405 -11.614 2.202
245 1HB ARG 60 1HB ARG 60 -2.837 -12.472 0.794
246 2HB ARG 60 2HB ARG 60 -4.240 -13.522 0.993
247 1HG ARG 60 2HG ARG 60 -5.636 -11.795 -0.214
248 2HG ARG 60 1HG ARG 60 -4.153 -10.886 -0.543
249 1HD ARG 60 1HD ARG 60 -4.760 -13.754 -1.400
250 2HD ARG 60 2HD ARG 60 -4.809 -12.354 -2.461
251 HE ARG 60 HE ARG 60 -2.485 -13.854 -1.562
252 1HH1 ARG 60 2HH1 ARG 60 -3.492 -10.655 -2.643
253 2HH1 ARG 60 1HH1 ARG 60 -1.972 -10.268 -3.402
254 1HH2 ARG 60 2HH2 ARG 60 -0.505 -13.402 -2.583
255 2HH2 ARG 60 1HH2 ARG 60 -0.248 -11.866 -3.372
256 HA PRO 61 HA PRO 61 -3.851 -13.432 5.971
257 1HB PRO 61 1HB PRO 61 -4.924 -16.077 5.125
258 2HB PRO 61 2HB PRO 61 -5.244 -15.192 6.636
259 1HG PRO 61 2HG PRO 61 -7.153 -15.285 4.670
260 2HG PRO 61 1HG PRO 61 -6.863 -13.801 5.622
261 1HD PRO 61 2HD PRO 61 -5.898 -14.428 2.829
262 2HD PRO 61 1HD PRO 61 -6.574 -12.912 3.502
263 H GLY 62 H GLY 62 -2.093 -14.785 6.622
264 1HA GLY 62 1HA GLY 62 -0.165 -16.053 6.338
265 2HA GLY 62 2HA GLY 62 -0.723 -16.514 4.722
266 H TYR 63 H TYR 63 -0.781 -13.095 5.142
267 HA TYR 63 HA TYR 63 1.969 -12.772 4.267
268 1HB TYR 63 2HB TYR 63 -0.437 -11.448 2.936
269 2HB TYR 63 1HB TYR 63 1.197 -10.941 2.722
270 HD1 TYR 63 HD1 TYR 63 -1.123 -13.795 2.159
271 HD2 TYR 63 HD2 TYR 63 2.589 -11.912 1.062
272 HE1 TYR 63 HE1 TYR 63 -1.120 -15.041 0.018
273 HE2 TYR 63 HE2 TYR 63 2.629 -13.198 -1.041
274 HH TYR 63 HH TYR 63 1.497 -14.742 -2.372
275 H GLU 64 H GLU 64 2.939 -10.907 4.966
276 HA GLU 64 HA GLU 64 1.371 -9.140 6.784
277 1HB GLU 64 2HB GLU 64 4.058 -10.458 7.363
278 2HB GLU 64 1HB GLU 64 3.367 -9.157 8.328
279 1HG GLU 64 2HG GLU 64 2.070 -11.894 7.907
280 2HG GLU 64 1HG GLU 64 2.983 -11.392 9.334
281 H LEU 65 H LEU 65 2.058 -7.046 6.847
282 HA LEU 65 HA LEU 65 3.400 -6.086 4.481
283 1HB LEU 65 1HB LEU 65 2.593 -4.718 7.059
284 2HB LEU 65 2HB LEU 65 3.334 -3.885 5.680
285 HG LEU 65 HG LEU 65 0.719 -5.381 5.380
286 1HD1 LEU 65 1HD2 LEU 65 0.598 -3.599 7.156
287 2HD1 LEU 65 2HD2 LEU 65 1.194 -2.430 5.967
288 3HD1 LEU 65 3HD2 LEU 65 -0.375 -3.220 5.720
289 1HD2 LEU 65 3HD1 LEU 65 2.057 -4.721 3.279
290 2HD2 LEU 65 1HD1 LEU 65 0.483 -3.921 3.410
291 3HD2 LEU 65 2HD1 LEU 65 1.968 -3.048 3.829
292 H GLN 66 H GLN 66 5.314 -5.112 4.296
293 HA GLN 66 HA GLN 66 7.401 -5.557 6.391
294 1HB GLN 66 1HB GLN 66 7.714 -5.128 3.383
295 2HB GLN 66 2HB GLN 66 8.937 -5.463 4.608
296 1HG GLN 66 2HG GLN 66 6.699 -7.300 3.556
297 2HG GLN 66 1HG GLN 66 8.438 -7.501 3.313
298 1HE2 GLN 66 1HE2 GLN 66 6.778 -9.358 6.445
299 2HE2 GLN 66 2HE2 GLN 66 5.788 -8.642 5.194
300 H GLU 67 H GLU 67 8.341 -3.601 7.089
301 HA GLU 67 HA GLU 67 8.516 -1.333 7.419
302 1HB GLU 67 1HB GLU 67 7.761 -0.999 4.508
303 2HB GLU 67 2HB GLU 67 8.461 0.217 5.572
304 1HG GLU 67 2HG GLU 67 10.529 -1.047 5.765
305 2HG GLU 67 1HG GLU 67 9.834 -2.438 4.918
306 H ASP 68 H ASP 68 5.555 -2.519 6.259
307 HA ASP 68 HA ASP 68 3.511 -2.441 7.310
308 1HB ASP 68 1HB ASP 68 4.459 -0.039 8.916
309 2HB ASP 68 2HB ASP 68 2.873 -0.794 8.920
310 H ARG 69 H ARG 69 5.294 -0.312 5.441
311 HA ARG 69 HA ARG 69 3.339 1.556 5.084
312 1HB ARG 69 2HB ARG 69 4.662 2.531 3.314
313 2HB ARG 69 1HB ARG 69 5.689 1.991 4.651
314 1HG ARG 69 2HG ARG 69 6.143 -0.122 3.324
315 2HG ARG 69 1HG ARG 69 5.239 0.605 1.990
316 1HD ARG 69 1HD ARG 69 6.842 2.306 1.618
317 2HD ARG 69 2HD ARG 69 7.621 2.019 3.183
318 HE ARG 69 HE ARG 69 8.976 0.548 2.186
319 1HH1 ARG 69 2HH1 ARG 69 6.075 0.595 0.140
320 2HH1 ARG 69 1HH1 ARG 69 6.398 -1.005 -0.525
321 1HH2 ARG 69 2HH2 ARG 69 9.366 -1.531 1.237
322 2HH2 ARG 69 1HH2 ARG 69 8.245 -2.129 0.014
323 H HIS 70 H HIS 70 4.076 -1.217 2.973
324 HA HIS 70 HA HIS 70 1.449 -1.157 1.677
325 1HB HIS 70 2HB HIS 70 3.890 -0.366 0.019
326 2HB HIS 70 1HB HIS 70 2.282 -0.682 -0.601
327 HD2 HIS 70 HD2 HIS 70 0.318 1.325 0.242
328 HE1 HIS 70 HE1 HIS 70 3.328 4.233 0.842
329 HE2 HIS 70 HE2 HIS 70 0.810 3.873 0.591
330 H SER 71 H SER 71 4.854 -2.168 1.171
331 HA SER 71 HA SER 71 4.262 -4.374 -0.504
332 1HB SER 71 2HB SER 71 6.724 -3.747 1.157
333 2HB SER 71 1HB SER 71 6.648 -4.884 -0.199
334 HG SER 71 HG SER 71 6.070 -3.124 -1.551
335 H CYS 72 H CYS 72 3.353 -6.304 0.065
336 HA CYS 72 HA CYS 72 3.840 -7.405 2.788
337 1HB CYS 72 2HB CYS 72 1.583 -7.820 0.869
338 2HB CYS 72 1HB CYS 72 2.109 -9.154 1.871
339 H GLN 73 H GLN 73 4.418 -9.508 3.127
340 HA GLN 73 HA GLN 73 5.470 -11.095 0.875
341 1HB GLN 73 1HB GLN 73 7.009 -10.651 3.453
342 2HB GLN 73 2HB GLN 73 7.447 -11.789 2.200
343 1HG GLN 73 2HG GLN 73 7.349 -8.798 1.634
344 2HG GLN 73 1HG GLN 73 8.787 -9.661 2.193
345 1HE2 GLN 73 2HE2 GLN 73 7.513 -10.230 -1.674
346 2HE2 GLN 73 1HE2 GLN 73 6.419 -9.498 -0.504
347 H ALA 74 H ALA 74 5.881 -13.330 1.840
348 HA ALA 74 HA ALA 74 3.299 -14.083 3.020
349 1HB ALA 74 3HB ALA 74 4.079 -15.278 1.059
350 2HB ALA 74 2HB ALA 74 5.544 -15.800 1.927
351 3HB ALA 74 1HB ALA 74 3.941 -16.365 2.455
352 H GLU 75 H GLU 75 3.036 -14.462 5.199
353 HA GLU 75 HA GLU 75 5.054 -15.658 6.855
354 1HB GLU 75 2HB GLU 75 4.165 -12.790 7.397
355 2HB GLU 75 1HB GLU 75 5.025 -13.835 8.532
356 1HG GLU 75 2HG GLU 75 6.943 -13.925 6.867
357 2HG GLU 75 1HG GLU 75 6.102 -12.676 5.926
No H/Q in entry = 357