Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
1074 | 1a3p RC | 4201 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H PRO 4 1H PRO 4 2.466 -0.014 -0.074
2 2H PRO 4 2H PRO 4 1.978 1.567 -0.507
3 HA PRO 4 HA PRO 4 1.837 0.929 -2.620
4 1HB PRO 4 2HB PRO 4 4.280 -0.209 -3.405
5 2HB PRO 4 1HB PRO 4 4.006 1.536 -3.288
6 1HG PRO 4 2HG PRO 4 5.208 -0.347 -1.229
7 2HG PRO 4 1HG PRO 4 5.784 1.250 -1.718
8 1HD PRO 4 2HD PRO 4 4.365 0.971 0.551
9 2HD PRO 4 1HD PRO 4 4.072 2.367 -0.495
10 H GLY 5 H GLY 5 0.852 -0.841 -3.560
11 1HA GLY 5 2HA GLY 5 1.255 -3.348 -3.992
12 2HA GLY 5 1HA GLY 5 1.353 -3.462 -2.236
13 1HN ABA 6 HN ABA 6 -0.301 -5.108 -3.356
14 HA ABA 6 HA ABA 6 -2.932 -3.989 -2.634
15 1HB ABA 6 1HB ABA 6 -2.811 -6.035 -4.829
16 2HB ABA 6 2HB ABA 6 -2.166 -4.474 -5.233
17 1HG ABA 6 1HG ABA 6 -4.330 -3.390 -4.545
18 2HG ABA 6 2HG ABA 6 -4.979 -4.976 -4.151
19 3HG ABA 6 3HG ABA 6 -4.576 -4.573 -5.814
20 HA PRO 7 HA PRO 7 -2.438 -8.455 -0.838
21 1HB PRO 7 2HB PRO 7 -1.946 -7.176 1.814
22 2HB PRO 7 1HB PRO 7 -1.151 -8.566 1.081
23 1HG PRO 7 2HG PRO 7 0.085 -6.104 1.264
24 2HG PRO 7 1HG PRO 7 0.423 -7.223 -0.043
25 1HD PRO 7 2HD PRO 7 -1.337 -4.738 -0.136
26 2HD PRO 7 1HD PRO 7 -0.287 -5.449 -1.366
27 H SER 8 H SER 8 -3.514 -5.541 0.565
28 HA SER 8 HA SER 8 -5.474 -5.753 2.247
29 1HB SER 8 2HB SER 8 -5.038 -3.665 0.866
30 2HB SER 8 1HB SER 8 -6.095 -4.330 -0.386
31 HG SER 8 HG SER 8 -7.424 -4.625 1.871
32 H SER 9 H SER 9 -6.139 -6.849 -1.063
33 HA SER 9 HA SER 9 -8.295 -8.523 -0.018
34 1HB SER 9 2HB SER 9 -9.617 -6.579 -0.711
35 2HB SER 9 1HB SER 9 -8.668 -6.406 -2.198
36 HG SER 9 HG SER 9 -10.009 -7.769 -3.062
37 H TYR 10 H TYR 10 -8.088 -10.477 -0.933
38 HA TYR 10 HA TYR 10 -6.750 -10.712 -3.505
39 1HB TYR 10 2HB TYR 10 -6.078 -13.045 -2.527
40 2HB TYR 10 1HB TYR 10 -5.180 -11.669 -1.934
41 HD1 TYR 10 HD2 TYR 10 -7.962 -13.965 -1.106
42 HD2 TYR 10 HD1 TYR 10 -5.212 -11.061 0.378
43 HE1 TYR 10 HE2 TYR 10 -8.585 -14.544 1.189
44 HE2 TYR 10 HE1 TYR 10 -5.846 -11.658 2.675
45 HH TYR 10 HH TYR 10 -7.090 -14.266 3.595
46 H ASP 11 H ASP 11 -9.422 -10.233 -3.009
47 HA ASP 11 HA ASP 11 -10.798 -12.758 -3.464
48 1HB ASP 11 2HB ASP 11 -11.522 -10.139 -2.261
49 2HB ASP 11 1HB ASP 11 -12.720 -10.648 -3.434
50 H GLY 12 H GLY 12 -11.515 -13.174 -5.529
51 1HA GLY 12 2HA GLY 12 -11.420 -12.990 -7.909
52 2HA GLY 12 1HA GLY 12 -12.353 -11.530 -7.581
53 H TYR 13 H TYR 13 -9.118 -12.230 -6.672
54 HA TYR 13 HA TYR 13 -8.031 -9.792 -7.936
55 1HB TYR 13 2HB TYR 13 -7.690 -10.405 -5.489
56 2HB TYR 13 1HB TYR 13 -6.751 -11.806 -5.998
57 HD1 TYR 13 HD1 TYR 13 -4.655 -11.397 -7.420
58 HD2 TYR 13 HD2 TYR 13 -6.637 -8.282 -5.291
59 HE1 TYR 13 HE1 TYR 13 -2.644 -10.043 -7.548
60 HE2 TYR 13 HE2 TYR 13 -4.610 -6.936 -5.414
61 HH TYR 13 HH TYR 13 -1.656 -8.115 -6.046
62 H CYS 14 H CYS 14 -8.105 -13.075 -8.623
63 HA CYS 14 HA CYS 14 -5.965 -12.728 -10.680
64 1HB CYS 14 2HB CYS 14 -6.644 -15.279 -9.288
65 2HB CYS 14 1HB CYS 14 -5.179 -14.921 -10.187
66 H LEU 15 H LEU 15 -6.412 -13.974 -12.592
67 HA LEU 15 HA LEU 15 -9.335 -14.396 -12.987
68 1HB LEU 15 2HB LEU 15 -7.144 -13.392 -14.709
69 2HB LEU 15 1HB LEU 15 -8.209 -14.474 -15.534
70 HG LEU 15 HG LEU 15 -10.125 -12.911 -14.544
71 1HD1 LEU 15 1HD1 LEU 15 -7.617 -11.181 -14.618
72 2HD1 LEU 15 3HD1 LEU 15 -9.236 -10.554 -14.418
73 3HD1 LEU 15 2HD1 LEU 15 -8.535 -11.580 -13.176
74 1HD2 LEU 15 2HD2 LEU 15 -8.534 -12.978 -17.040
75 2HD2 LEU 15 1HD2 LEU 15 -10.230 -12.630 -16.844
76 3HD2 LEU 15 3HD2 LEU 15 -9.054 -11.342 -16.703
77 H ASN 16 H ASN 16 -6.376 -16.075 -13.437
78 HA ASN 16 HA ASN 16 -7.901 -18.547 -13.918
79 1HB ASN 16 2HB ASN 16 -5.991 -17.356 -15.883
80 2HB ASN 16 1HB ASN 16 -6.157 -19.118 -15.762
81 1HD2 ASN 16 2HD2 ASN 16 -9.276 -16.956 -17.178
82 2HD2 ASN 16 1HD2 ASN 16 -8.172 -16.219 -16.130
83 H GLY 17 H GLY 17 -4.402 -18.239 -14.512
84 1HA GLY 17 2HA GLY 17 -3.778 -20.714 -13.274
85 2HA GLY 17 1HA GLY 17 -2.607 -19.460 -13.615
86 H GLY 18 H GLY 18 -4.131 -17.581 -12.258
87 1HA GLY 18 2HA GLY 18 -3.409 -16.471 -10.246
88 2HA GLY 18 1HA GLY 18 -4.993 -17.138 -9.989
89 H VAL 19 H VAL 19 -1.584 -18.070 -9.550
90 HA VAL 19 HA VAL 19 -2.428 -19.446 -7.087
91 HB VAL 19 HB VAL 19 -0.105 -19.548 -9.069
92 1HG1 VAL 19 3HG1 VAL 19 0.307 -20.033 -6.110
93 2HG1 VAL 19 2HG1 VAL 19 1.331 -20.799 -7.323
94 3HG1 VAL 19 1HG1 VAL 19 1.276 -19.050 -7.195
95 1HG2 VAL 19 1HG2 VAL 19 -1.814 -21.311 -9.058
96 2HG2 VAL 19 3HG2 VAL 19 -0.238 -21.979 -8.695
97 3HG2 VAL 19 2HG2 VAL 19 -1.403 -21.734 -7.400
98 1HN ABA 20 HN ABA 20 -2.905 -17.919 -5.912
99 HA ABA 20 HA ABA 20 -1.867 -15.313 -5.690
100 1HB ABA 20 1HB ABA 20 -3.434 -17.125 -3.844
101 2HB ABA 20 2HB ABA 20 -4.027 -15.955 -4.977
102 1HG ABA 20 1HG ABA 20 -3.877 -14.314 -3.269
103 2HG ABA 20 2HG ABA 20 -2.202 -14.724 -2.934
104 3HG ABA 20 3HG ABA 20 -3.482 -15.613 -2.173
105 H MET 21 H MET 21 0.296 -15.179 -5.507
106 HA MET 21 HA MET 21 1.486 -16.244 -2.994
107 1HB MET 21 2HB MET 21 3.466 -16.825 -4.160
108 2HB MET 21 1HB MET 21 2.169 -17.363 -5.197
109 1HG MET 21 2HG MET 21 3.222 -16.288 -6.847
110 2HG MET 21 1HG MET 21 2.623 -14.812 -6.160
111 1HE MET 21 1HE MET 21 5.139 -17.492 -5.878
112 2HE MET 21 3HE MET 21 6.357 -16.670 -6.848
113 3HE MET 21 2HE MET 21 6.541 -16.770 -5.102
114 H HIS 22 H HIS 22 2.422 -14.862 -1.737
115 HA HIS 22 HA HIS 22 2.166 -12.065 -2.283
116 1HB HIS 22 2HB HIS 22 2.059 -13.152 -0.085
117 2HB HIS 22 1HB HIS 22 3.830 -13.371 -0.185
118 HD1 HIS 22 HD1 HIS 22 3.246 -10.201 -1.601
119 HD2 HIS 22 HD2 HIS 22 3.231 -11.684 2.286
120 HE1 HIS 22 HE1 HIS 22 3.566 -8.326 -0.026
121 H ILE 23 H ILE 23 3.482 -10.972 -3.622
122 HA ILE 23 HA ILE 23 6.181 -11.965 -4.104
123 HB ILE 23 HB ILE 23 4.132 -11.347 -5.818
124 1HG1 ILE 23 2HG1 ILE 23 6.355 -10.590 -7.266
125 2HG1 ILE 23 1HG1 ILE 23 7.030 -11.635 -6.047
126 1HG2 ILE 23 3HG2 ILE 23 4.449 -8.890 -4.934
127 2HG2 ILE 23 2HG2 ILE 23 5.786 -8.835 -6.041
128 3HG2 ILE 23 1HG2 ILE 23 4.157 -9.131 -6.642
129 1HD1 ILE 23 3HD1 ILE 23 4.766 -13.039 -6.968
130 2HD1 ILE 23 2HD1 ILE 23 5.445 -12.332 -8.415
131 3HD1 ILE 23 1HD1 ILE 23 6.429 -13.367 -7.396
132 H GLU 24 H GLU 24 5.262 -10.440 -1.767
133 HA GLU 24 HA GLU 24 5.770 -7.782 -1.617
134 1HB GLU 24 2HB GLU 24 5.849 -9.811 0.360
135 2HB GLU 24 1HB GLU 24 7.516 -9.312 0.350
136 1HG GLU 24 2HG GLU 24 5.268 -7.259 0.633
137 2HG GLU 24 1HG GLU 24 6.023 -8.027 2.008
138 H SER 25 H SER 25 7.995 -10.225 -1.802
139 HA SER 25 HA SER 25 10.490 -9.490 -1.737
140 1HB SER 25 2HB SER 25 9.441 -10.843 -4.251
141 2HB SER 25 1HB SER 25 10.871 -11.320 -3.314
142 HG SER 25 HG SER 25 9.500 -12.523 -2.192
143 H LEU 26 H LEU 26 8.554 -8.785 -4.371
144 HA LEU 26 HA LEU 26 10.435 -6.730 -5.416
145 1HB LEU 26 2HB LEU 26 8.473 -7.198 -7.412
146 2HB LEU 26 1HB LEU 26 10.176 -7.574 -7.506
147 HG LEU 26 HG LEU 26 8.159 -9.290 -6.158
148 1HD1 LEU 26 3HD1 LEU 26 9.030 -9.279 -9.112
149 2HD1 LEU 26 2HD1 LEU 26 8.171 -10.631 -8.405
150 3HD1 LEU 26 1HD1 LEU 26 7.400 -9.058 -8.504
151 1HD2 LEU 26 1HD2 LEU 26 10.733 -9.700 -5.856
152 2HD2 LEU 26 3HD2 LEU 26 9.836 -11.094 -6.442
153 3HD2 LEU 26 2HD2 LEU 26 10.777 -10.118 -7.553
154 H ASP 27 H ASP 27 7.138 -7.478 -4.618
155 HA ASP 27 HA ASP 27 6.621 -4.589 -4.478
156 1HB ASP 27 2HB ASP 27 5.167 -6.462 -6.380
157 2HB ASP 27 1HB ASP 27 4.391 -4.993 -5.827
158 H SER 28 H SER 28 4.225 -7.112 -4.627
159 HA SER 28 HA SER 28 3.674 -6.967 -1.703
160 1HB SER 28 2HB SER 28 1.809 -5.633 -1.721
161 2HB SER 28 1HB SER 28 2.781 -4.846 -2.953
162 HG SER 28 HG SER 28 1.493 -5.604 -4.503
163 H TYR 29 H TYR 29 0.879 -7.581 -2.795
164 HA TYR 29 HA TYR 29 1.463 -10.540 -3.022
165 1HB TYR 29 2HB TYR 29 -0.202 -10.535 -1.341
166 2HB TYR 29 1HB TYR 29 -0.811 -8.964 -1.861
167 HD1 TYR 29 HD2 TYR 29 -0.470 -12.389 -3.333
168 HD2 TYR 29 HD1 TYR 29 -3.074 -9.052 -2.736
169 HE1 TYR 29 HE2 TYR 29 -2.207 -13.485 -4.606
170 HE2 TYR 29 HE1 TYR 29 -4.796 -10.198 -3.990
171 HH TYR 29 HH TYR 29 -4.168 -13.130 -5.780
172 H THR 30 H THR 30 0.998 -11.714 -4.659
173 HA THR 30 HA THR 30 -0.633 -10.579 -6.796
174 HB THR 30 HB THR 30 1.968 -10.012 -6.642
175 HG1 THR 30 HG1 THR 30 1.098 -9.236 -8.495
176 1HG2 THR 30 3HG2 THR 30 2.598 -12.534 -6.936
177 2HG2 THR 30 2HG2 THR 30 2.035 -12.384 -8.596
178 3HG2 THR 30 1HG2 THR 30 3.362 -11.391 -8.032
179 H CYS 31 H CYS 31 -0.270 -12.269 -8.682
180 HA CYS 31 HA CYS 31 -0.631 -14.974 -7.450
181 1HB CYS 31 2HB CYS 31 -2.508 -13.350 -8.971
182 2HB CYS 31 1HB CYS 31 -2.141 -14.792 -9.860
183 H ASN 32 H ASN 32 -0.048 -16.694 -8.834
184 HA ASN 32 HA ASN 32 1.927 -15.924 -10.994
185 1HB ASN 32 2HB ASN 32 2.935 -17.388 -9.123
186 2HB ASN 32 1HB ASN 32 1.682 -18.586 -9.448
187 1HD2 ASN 32 2HD2 ASN 32 4.128 -19.855 -11.722
188 2HD2 ASN 32 1HD2 ASN 32 3.471 -20.081 -10.166
189 H CYS 33 H CYS 33 0.994 -16.071 -12.816
190 HA CYS 33 HA CYS 33 -1.417 -17.734 -13.086
191 1HB CYS 33 2HB CYS 33 -0.289 -15.565 -14.936
192 2HB CYS 33 1HB CYS 33 -1.786 -16.385 -15.069
193 H VAL 34 H VAL 34 -1.601 -18.835 -15.190
194 HA VAL 34 HA VAL 34 0.639 -20.543 -15.375
195 HB VAL 34 HB VAL 34 -1.716 -21.239 -15.947
196 1HG1 VAL 34 2HG1 VAL 34 -2.112 -18.988 -17.069
197 2HG1 VAL 34 1HG1 VAL 34 -1.724 -19.849 -18.547
198 3HG1 VAL 34 3HG1 VAL 34 -3.014 -20.425 -17.509
199 1HG2 VAL 34 3HG2 VAL 34 0.129 -22.554 -17.132
200 2HG2 VAL 34 2HG2 VAL 34 -1.421 -22.535 -17.965
201 3HG2 VAL 34 1HG2 VAL 34 -0.142 -21.508 -18.530
202 H ILE 35 H ILE 35 1.741 -21.109 -17.121
203 HA ILE 35 HA ILE 35 3.592 -19.326 -18.167
204 HB ILE 35 HB ILE 35 4.117 -21.558 -18.386
205 1HG1 ILE 35 2HG1 ILE 35 4.215 -22.034 -20.866
206 2HG1 ILE 35 1HG1 ILE 35 3.311 -20.584 -21.177
207 1HG2 ILE 35 2HG2 ILE 35 1.439 -22.016 -19.769
208 2HG2 ILE 35 1HG2 ILE 35 2.708 -23.210 -19.705
209 3HG2 ILE 35 3HG2 ILE 35 1.978 -22.679 -18.224
210 1HD1 ILE 35 1HD1 ILE 35 5.871 -20.496 -19.506
211 2HD1 ILE 35 3HD1 ILE 35 5.948 -20.460 -21.257
212 3HD1 ILE 35 2HD1 ILE 35 5.102 -19.188 -20.394
213 H GLY 36 H GLY 36 0.428 -19.967 -19.297
214 1HA GLY 36 2HA GLY 36 0.820 -18.322 -21.697
215 2HA GLY 36 1HA GLY 36 -0.570 -19.314 -21.407
216 H TYR 37 H TYR 37 -0.631 -17.934 -18.617
217 HA TYR 37 HA TYR 37 -2.102 -15.499 -19.493
218 1HB TYR 37 2HB TYR 37 -2.508 -17.024 -16.929
219 2HB TYR 37 1HB TYR 37 -3.566 -15.845 -17.667
220 HD1 TYR 37 HD1 TYR 37 -3.171 -17.439 -20.574
221 HD2 TYR 37 HD2 TYR 37 -4.489 -18.415 -16.678
222 HE1 TYR 37 HE1 TYR 37 -4.634 -19.159 -21.474
223 HE2 TYR 37 HE2 TYR 37 -5.977 -20.146 -17.617
224 HH TYR 37 HH TYR 37 -7.064 -20.647 -19.733
225 H SER 38 H SER 38 -1.172 -13.657 -18.963
226 HA SER 38 HA SER 38 0.599 -13.779 -16.573
227 1HB SER 38 2HB SER 38 2.018 -14.103 -18.569
228 2HB SER 38 1HB SER 38 1.381 -12.635 -19.322
229 HG SER 38 HG SER 38 3.274 -12.896 -17.358
230 H GLY 39 H GLY 39 1.349 -11.006 -17.747
231 1HA GLY 39 2HA GLY 39 0.771 -8.774 -17.332
232 2HA GLY 39 1HA GLY 39 -0.918 -9.277 -17.374
233 H ASP 40 H ASP 40 0.482 -11.235 -15.137
234 HA ASP 40 HA ASP 40 0.965 -11.082 -12.815
235 1HB ASP 40 2HB ASP 40 1.226 -8.472 -13.323
236 2HB ASP 40 1HB ASP 40 -0.383 -8.400 -12.642
237 H ARG 41 H ARG 41 -1.919 -11.009 -14.390
238 HA ARG 41 HA ARG 41 -3.366 -11.848 -11.974
239 1HB ARG 41 2HB ARG 41 -3.673 -9.294 -13.109
240 2HB ARG 41 1HB ARG 41 -4.977 -10.175 -13.842
241 1HG ARG 41 2HG ARG 41 -4.733 -10.672 -10.964
242 2HG ARG 41 1HG ARG 41 -4.887 -8.972 -11.359
243 1HD ARG 41 2HD ARG 41 -6.757 -10.412 -12.916
244 2HD ARG 41 1HD ARG 41 -6.967 -10.863 -11.245
245 HE ARG 41 HE ARG 41 -7.035 -8.041 -12.240
246 1HH1 ARG 41 2HH1 ARG 41 -6.493 -7.609 -9.685
247 2HH1 ARG 41 1HH1 ARG 41 -7.965 -7.738 -8.780
248 1HH2 ARG 41 1HH2 ARG 41 -9.431 -9.601 -11.406
249 2HH2 ARG 41 2HH2 ARG 41 -9.743 -9.025 -9.807
250 H CYS 42 H CYS 42 -2.436 -12.649 -14.938
251 HA CYS 42 HA CYS 42 -3.055 -14.146 -16.442
252 1HB CYS 42 2HB CYS 42 -5.383 -15.380 -15.040
253 2HB CYS 42 1HB CYS 42 -3.899 -16.135 -15.542
254 H GLN 43 H GLN 43 -4.101 -11.720 -16.299
255 HA GLN 43 HA GLN 43 -6.947 -11.709 -17.061
256 1HB GLN 43 2HB GLN 43 -6.538 -9.240 -17.258
257 2HB GLN 43 1HB GLN 43 -6.070 -9.860 -15.675
258 1HG GLN 43 2HG GLN 43 -3.762 -10.134 -17.337
259 2HG GLN 43 1HG GLN 43 -4.449 -8.561 -17.708
260 1HE2 GLN 43 2HE2 GLN 43 -2.189 -8.996 -14.619
261 2HE2 GLN 43 1HE2 GLN 43 -2.314 -10.144 -15.889
262 H THR 44 H THR 44 -3.860 -11.726 -18.335
263 HA THR 44 HA THR 44 -4.859 -11.357 -21.128
264 HB THR 44 HB THR 44 -3.110 -9.747 -20.104
265 HG1 THR 44 HG1 THR 44 -1.842 -10.807 -22.268
266 1HG2 THR 44 2HG2 THR 44 -1.738 -11.632 -19.073
267 2HG2 THR 44 1HG2 THR 44 -1.102 -11.912 -20.684
268 3HG2 THR 44 3HG2 THR 44 -0.868 -10.344 -19.896
269 H ARG 45 H ARG 45 -5.693 -13.357 -20.912
270 HA ARG 45 HA ARG 45 -4.046 -15.619 -20.215
271 1HB ARG 45 2HB ARG 45 -6.740 -15.463 -21.627
272 2HB ARG 45 1HB ARG 45 -6.069 -16.836 -20.810
273 1HG ARG 45 2HG ARG 45 -5.971 -15.445 -18.681
274 2HG ARG 45 1HG ARG 45 -6.872 -14.202 -19.538
275 1HD ARG 45 2HD ARG 45 -7.815 -16.993 -18.840
276 2HD ARG 45 1HD ARG 45 -8.541 -15.432 -18.413
277 HE ARG 45 HE ARG 45 -8.375 -16.394 -21.242
278 1HH1 ARG 45 1HH2 ARG 45 -9.434 -13.745 -20.043
279 2HH1 ARG 45 2HH2 ARG 45 -11.136 -13.963 -20.269
280 1HH2 ARG 45 2HH1 ARG 45 -10.580 -17.419 -20.880
281 2HH2 ARG 45 1HH1 ARG 45 -11.862 -16.249 -20.784
282 H ASP 46 H ASP 46 -2.367 -15.364 -21.582
283 HA ASP 46 HA ASP 46 -2.978 -14.962 -24.410
284 1HB ASP 46 2HB ASP 46 -0.965 -13.817 -23.695
285 2HB ASP 46 1HB ASP 46 -0.349 -15.203 -22.830
286 H LEU 47 H LEU 47 -4.294 -16.904 -23.940
287 HA LEU 47 HA LEU 47 -4.329 -19.327 -23.304
288 1HB LEU 47 2HB LEU 47 -4.781 -18.396 -26.127
289 2HB LEU 47 1HB LEU 47 -5.226 -19.999 -25.601
290 HG LEU 47 HG LEU 47 -6.142 -18.144 -23.532
291 1HD1 LEU 47 2HD1 LEU 47 -6.003 -16.531 -25.580
292 2HD1 LEU 47 1HD1 LEU 47 -7.410 -17.401 -26.162
293 3HD1 LEU 47 3HD1 LEU 47 -7.465 -16.565 -24.621
294 1HD2 LEU 47 2HD2 LEU 47 -7.655 -19.835 -25.561
295 2HD2 LEU 47 1HD2 LEU 47 -7.133 -20.339 -23.962
296 3HD2 LEU 47 3HD2 LEU 47 -8.357 -19.097 -24.129
297 H ARG 48 HN ARG 48 -1.851 -19.568 -22.933
298 HA ARG 48 HA ARG 48 -0.958 -21.628 -24.838
299 1HB ARG 48 2HB ARG 48 0.570 -19.232 -23.769
300 2HB ARG 48 1HB ARG 48 1.478 -20.654 -24.255
301 1HG ARG 48 2HG ARG 48 0.542 -20.540 -26.517
302 2HG ARG 48 1HG ARG 48 -0.572 -19.286 -26.046
303 1HD ARG 48 2HD ARG 48 0.932 -17.696 -26.614
304 2HD ARG 48 1HD ARG 48 1.940 -18.205 -25.290
305 HE ARG 48 HE ARG 48 3.217 -18.307 -27.429
306 1HH1 ARG 48 1HH2 ARG 48 1.272 -19.707 -29.088
307 2HH1 ARG 48 2HH2 ARG 48 1.887 -21.321 -29.149
308 1HH2 ARG 48 1HH1 ARG 48 3.929 -20.719 -26.334
309 2HH2 ARG 48 2HH1 ARG 48 3.514 -21.939 -27.485
No H/Q in entry = 309
Start of MODEL 2
1 1H PRO 4 1H PRO 4 1.253 0.782 -0.908
2 2H PRO 4 2H PRO 4 1.124 2.065 -2.015
3 HA PRO 4 HA PRO 4 2.279 0.952 -3.515
4 1HB PRO 4 2HB PRO 4 4.690 0.105 -2.350
5 2HB PRO 4 1HB PRO 4 4.410 1.703 -3.052
6 1HG PRO 4 2HG PRO 4 4.293 0.861 -0.159
7 2HG PRO 4 1HG PRO 4 4.874 2.374 -0.849
8 1HD PRO 4 2HD PRO 4 2.427 2.194 0.328
9 2HD PRO 4 1HD PRO 4 2.710 3.263 -1.051
10 H GLY 5 H GLY 5 0.745 -0.744 -3.562
11 1HA GLY 5 2HA GLY 5 1.355 -3.286 -3.831
12 2HA GLY 5 1HA GLY 5 1.450 -3.225 -2.071
13 1HN ABA 6 HN ABA 6 -0.207 -4.995 -3.309
14 HA ABA 6 HA ABA 6 -2.877 -3.937 -2.543
15 1HB ABA 6 1HB ABA 6 -2.644 -5.843 -4.856
16 2HB ABA 6 2HB ABA 6 -2.186 -4.189 -5.137
17 1HG ABA 6 1HG ABA 6 -4.431 -3.409 -4.408
18 2HG ABA 6 2HG ABA 6 -4.887 -5.059 -3.997
19 3HG ABA 6 3HG ABA 6 -4.598 -4.617 -5.669
20 HA PRO 7 HA PRO 7 -2.571 -8.313 -0.766
21 1HB PRO 7 2HB PRO 7 -2.068 -7.223 1.934
22 2HB PRO 7 1HB PRO 7 -1.216 -8.508 1.084
23 1HG PRO 7 2HG PRO 7 -0.049 -6.037 1.492
24 2HG PRO 7 1HG PRO 7 0.305 -7.006 0.076
25 1HD PRO 7 2HD PRO 7 -1.690 -4.698 0.289
26 2HD PRO 7 1HD PRO 7 -0.471 -5.014 -0.963
27 H SER 8 H SER 8 -3.667 -5.322 0.431
28 HA SER 8 HA SER 8 -5.621 -5.410 2.155
29 1HB SER 8 2HB SER 8 -5.337 -3.931 -0.359
30 2HB SER 8 1HB SER 8 -7.045 -4.192 -0.006
31 HG SER 8 HG SER 8 -5.431 -2.498 1.224
32 H SER 9 H SER 9 -6.420 -6.643 -1.112
33 HA SER 9 HA SER 9 -8.292 -8.520 0.097
34 1HB SER 9 2HB SER 9 -9.521 -6.303 -0.728
35 2HB SER 9 1HB SER 9 -9.155 -6.907 -2.359
36 HG SER 9 HG SER 9 -10.989 -7.815 -0.596
37 H TYR 10 H TYR 10 -8.385 -10.305 -1.148
38 HA TYR 10 HA TYR 10 -6.756 -10.486 -3.551
39 1HB TYR 10 2HB TYR 10 -6.294 -12.928 -2.529
40 2HB TYR 10 1HB TYR 10 -5.348 -11.589 -1.915
41 HD1 TYR 10 HD1 TYR 10 -8.186 -13.787 -1.204
42 HD2 TYR 10 HD2 TYR 10 -5.780 -10.605 0.300
43 HE1 TYR 10 HE1 TYR 10 -9.164 -14.101 1.018
44 HE2 TYR 10 HE2 TYR 10 -6.765 -10.927 2.525
45 HH TYR 10 HH TYR 10 -9.492 -12.960 3.051
46 H ASP 11 H ASP 11 -9.599 -10.165 -3.124
47 HA ASP 11 HA ASP 11 -10.673 -12.687 -4.106
48 1HB ASP 11 2HB ASP 11 -11.959 -10.148 -3.002
49 2HB ASP 11 1HB ASP 11 -12.911 -11.467 -3.666
50 H GLY 12 H GLY 12 -11.292 -12.825 -6.245
51 1HA GLY 12 2HA GLY 12 -11.489 -12.199 -8.528
52 2HA GLY 12 1HA GLY 12 -12.030 -10.621 -7.926
53 H TYR 13 H TYR 13 -9.080 -11.925 -6.875
54 HA TYR 13 HA TYR 13 -7.539 -9.765 -8.149
55 1HB TYR 13 2HB TYR 13 -7.538 -10.450 -5.627
56 2HB TYR 13 1HB TYR 13 -6.558 -11.846 -6.093
57 HD1 TYR 13 HD2 TYR 13 -4.422 -11.344 -7.477
58 HD2 TYR 13 HD1 TYR 13 -6.494 -8.373 -5.233
59 HE1 TYR 13 HE2 TYR 13 -2.445 -9.968 -7.503
60 HE2 TYR 13 HE1 TYR 13 -4.486 -6.997 -5.240
61 HH TYR 13 HH TYR 13 -1.625 -7.955 -5.675
62 H CYS 14 H CYS 14 -8.102 -13.064 -8.593
63 HA CYS 14 HA CYS 14 -5.922 -13.133 -10.615
64 1HB CYS 14 2HB CYS 14 -6.732 -15.484 -8.891
65 2HB CYS 14 1HB CYS 14 -5.305 -15.294 -9.880
66 H LEU 15 H LEU 15 -6.533 -14.242 -12.447
67 HA LEU 15 HA LEU 15 -9.457 -14.704 -12.768
68 1HB LEU 15 2HB LEU 15 -7.286 -13.786 -14.624
69 2HB LEU 15 1HB LEU 15 -8.467 -14.821 -15.311
70 HG LEU 15 HG LEU 15 -10.162 -12.978 -14.252
71 1HD1 LEU 15 2HD1 LEU 15 -7.461 -11.681 -14.764
72 2HD1 LEU 15 1HD1 LEU 15 -8.891 -10.795 -15.235
73 3HD1 LEU 15 3HD1 LEU 15 -8.698 -11.298 -13.579
74 1HD2 LEU 15 2HD2 LEU 15 -8.708 -13.237 -16.940
75 2HD2 LEU 15 1HD2 LEU 15 -10.331 -13.742 -16.563
76 3HD2 LEU 15 3HD2 LEU 15 -9.962 -12.036 -16.731
77 H ASN 16 H ASN 16 -6.451 -16.282 -13.295
78 HA ASN 16 HA ASN 16 -7.865 -18.832 -13.658
79 1HB ASN 16 2HB ASN 16 -6.013 -17.748 -15.800
80 2HB ASN 16 1HB ASN 16 -6.614 -19.406 -15.737
81 1HD2 ASN 16 2HD2 ASN 16 -9.112 -16.497 -16.924
82 2HD2 ASN 16 1HD2 ASN 16 -7.557 -16.051 -16.370
83 H GLY 17 H GLY 17 -4.392 -18.236 -14.427
84 1HA GLY 17 2HA GLY 17 -3.571 -20.708 -13.249
85 2HA GLY 17 1HA GLY 17 -2.491 -19.391 -13.687
86 H GLY 18 H GLY 18 -4.128 -17.612 -12.208
87 1HA GLY 18 2HA GLY 18 -3.289 -16.465 -10.236
88 2HA GLY 18 1HA GLY 18 -4.850 -17.193 -9.937
89 H VAL 19 H VAL 19 -1.410 -17.990 -9.541
90 HA VAL 19 HA VAL 19 -2.153 -19.410 -7.080
91 HB VAL 19 HB VAL 19 0.240 -19.225 -9.015
92 1HG1 VAL 19 3HG1 VAL 19 0.392 -20.243 -6.187
93 2HG1 VAL 19 2HG1 VAL 19 1.563 -20.696 -7.435
94 3HG1 VAL 19 1HG1 VAL 19 1.378 -19.012 -6.966
95 1HG2 VAL 19 1HG2 VAL 19 -1.746 -21.288 -8.347
96 2HG2 VAL 19 3HG2 VAL 19 -0.761 -21.092 -9.778
97 3HG2 VAL 19 2HG2 VAL 19 -0.112 -21.926 -8.376
98 1HN ABA 20 HN ABA 20 -2.677 -17.921 -5.867
99 HA ABA 20 HA ABA 20 -1.697 -15.296 -5.635
100 1HB ABA 20 1HB ABA 20 -3.265 -17.175 -3.859
101 2HB ABA 20 2HB ABA 20 -3.834 -15.963 -4.935
102 1HG ABA 20 1HG ABA 20 -3.759 -14.441 -3.088
103 2HG ABA 20 2HG ABA 20 -2.052 -14.779 -2.844
104 3HG ABA 20 3HG ABA 20 -3.247 -15.787 -2.095
105 H MET 21 H MET 21 0.465 -15.128 -5.486
106 HA MET 21 HA MET 21 1.775 -16.253 -3.052
107 1HB MET 21 2HB MET 21 3.935 -15.988 -4.396
108 2HB MET 21 1HB MET 21 2.845 -17.246 -4.938
109 1HG MET 21 2HG MET 21 2.055 -15.855 -6.771
110 2HG MET 21 1HG MET 21 2.928 -14.477 -6.165
111 1HE MET 21 3HE MET 21 3.580 -18.204 -7.097
112 2HE MET 21 2HE MET 21 5.219 -18.135 -7.733
113 3HE MET 21 1HE MET 21 4.930 -17.834 -6.023
114 H HIS 22 H HIS 22 2.430 -14.814 -1.624
115 HA HIS 22 HA HIS 22 2.042 -12.032 -2.192
116 1HB HIS 22 2HB HIS 22 1.767 -12.947 0.002
117 2HB HIS 22 1HB HIS 22 3.513 -13.341 0.059
118 HD1 HIS 22 HD1 HIS 22 3.284 -10.170 -1.510
119 HD2 HIS 22 HD2 HIS 22 2.947 -11.519 2.411
120 HE1 HIS 22 HE1 HIS 22 3.661 -8.278 0.027
121 H ILE 23 H ILE 23 3.440 -11.015 -3.564
122 HA ILE 23 HA ILE 23 6.137 -12.064 -3.862
123 HB ILE 23 HB ILE 23 4.170 -11.373 -5.623
124 1HG1 ILE 23 2HG1 ILE 23 6.328 -11.008 -7.154
125 2HG1 ILE 23 1HG1 ILE 23 7.106 -11.750 -5.781
126 1HG2 ILE 23 2HG2 ILE 23 4.659 -8.930 -4.836
127 2HG2 ILE 23 1HG2 ILE 23 6.027 -9.021 -5.911
128 3HG2 ILE 23 3HG2 ILE 23 4.393 -9.227 -6.540
129 1HD1 ILE 23 3HD1 ILE 23 5.147 -13.533 -5.984
130 2HD1 ILE 23 2HD1 ILE 23 4.971 -12.892 -7.608
131 3HD1 ILE 23 1HD1 ILE 23 6.476 -13.632 -7.119
132 H GLU 24 H GLU 24 5.287 -10.442 -1.554
133 HA GLU 24 HA GLU 24 5.972 -7.784 -1.546
134 1HB GLU 24 2HB GLU 24 5.838 -9.733 0.549
135 2HB GLU 24 1HB GLU 24 7.499 -9.223 0.630
136 1HG GLU 24 2HG GLU 24 5.300 -7.107 0.571
137 2HG GLU 24 1HG GLU 24 5.788 -7.868 2.069
138 H SER 25 H SER 25 7.975 -10.424 -1.747
139 HA SER 25 HA SER 25 10.544 -9.782 -1.535
140 1HB SER 25 2HB SER 25 9.600 -11.127 -4.097
141 2HB SER 25 1HB SER 25 10.870 -11.700 -3.003
142 HG SER 25 HG SER 25 9.324 -12.739 -1.965
143 H LEU 26 H LEU 26 8.612 -8.954 -4.123
144 HA LEU 26 HA LEU 26 10.553 -6.953 -5.160
145 1HB LEU 26 2HB LEU 26 8.636 -7.354 -7.204
146 2HB LEU 26 1HB LEU 26 10.326 -7.794 -7.252
147 HG LEU 26 HG LEU 26 8.237 -9.459 -5.941
148 1HD1 LEU 26 1HD1 LEU 26 9.047 -9.392 -8.907
149 2HD1 LEU 26 3HD1 LEU 26 8.199 -10.761 -8.217
150 3HD1 LEU 26 2HD1 LEU 26 7.430 -9.186 -8.253
151 1HD2 LEU 26 2HD2 LEU 26 10.818 -9.949 -5.702
152 2HD2 LEU 26 1HD2 LEU 26 9.877 -11.309 -6.300
153 3HD2 LEU 26 3HD2 LEU 26 10.814 -10.329 -7.407
154 H ASP 27 H ASP 27 7.231 -7.614 -4.392
155 HA ASP 27 HA ASP 27 6.794 -4.716 -4.275
156 1HB ASP 27 2HB ASP 27 5.358 -6.491 -6.277
157 2HB ASP 27 1HB ASP 27 4.594 -5.020 -5.709
158 H SER 28 H SER 28 4.315 -7.160 -4.526
159 HA SER 28 HA SER 28 3.603 -6.876 -1.645
160 1HB SER 28 2HB SER 28 1.802 -5.465 -1.859
161 2HB SER 28 1HB SER 28 2.772 -4.850 -3.187
162 HG SER 28 HG SER 28 1.474 -5.868 -4.639
163 H TYR 29 H TYR 29 0.854 -7.568 -2.702
164 HA TYR 29 HA TYR 29 1.464 -10.506 -2.912
165 1HB TYR 29 2HB TYR 29 -0.233 -10.522 -1.230
166 2HB TYR 29 1HB TYR 29 -0.881 -8.975 -1.769
167 HD1 TYR 29 HD1 TYR 29 -0.465 -12.417 -3.273
168 HD2 TYR 29 HD2 TYR 29 -3.102 -9.130 -2.621
169 HE1 TYR 29 HE1 TYR 29 -2.208 -13.533 -4.534
170 HE2 TYR 29 HE2 TYR 29 -4.820 -10.281 -3.861
171 HH TYR 29 HH TYR 29 -4.278 -13.281 -5.588
172 H THR 30 H THR 30 1.018 -11.673 -4.549
173 HA THR 30 HA THR 30 -0.645 -10.521 -6.653
174 HB THR 30 HB THR 30 1.946 -9.885 -6.504
175 HG1 THR 30 HG1 THR 30 0.756 -9.078 -8.180
176 1HG2 THR 30 3HG2 THR 30 2.621 -12.387 -6.890
177 2HG2 THR 30 2HG2 THR 30 2.038 -12.175 -8.539
178 3HG2 THR 30 1HG2 THR 30 3.362 -11.189 -7.939
179 H CYS 31 H CYS 31 -0.322 -12.133 -8.615
180 HA CYS 31 HA CYS 31 -0.561 -14.881 -7.466
181 1HB CYS 31 2HB CYS 31 -2.556 -13.277 -8.851
182 2HB CYS 31 1HB CYS 31 -2.153 -14.649 -9.831
183 H ASN 32 H ASN 32 0.191 -16.481 -8.806
184 HA ASN 32 HA ASN 32 2.009 -15.532 -11.001
185 1HB ASN 32 2HB ASN 32 3.276 -16.973 -9.361
186 2HB ASN 32 1HB ASN 32 2.019 -18.205 -9.432
187 1HD2 ASN 32 2HD2 ASN 32 4.131 -19.537 -12.028
188 2HD2 ASN 32 1HD2 ASN 32 3.728 -19.748 -10.384
189 H CYS 33 H CYS 33 1.042 -15.971 -12.947
190 HA CYS 33 HA CYS 33 -1.342 -17.707 -12.966
191 1HB CYS 33 2HB CYS 33 -0.325 -15.682 -14.998
192 2HB CYS 33 1HB CYS 33 -1.804 -16.579 -15.023
193 H VAL 34 H VAL 34 -0.178 -17.518 -16.035
194 HA VAL 34 HA VAL 34 1.583 -19.851 -15.722
195 HB VAL 34 HB VAL 34 -0.720 -20.784 -15.687
196 1HG1 VAL 34 3HG1 VAL 34 -1.680 -18.879 -16.994
197 2HG1 VAL 34 2HG1 VAL 34 -1.272 -19.762 -18.459
198 3HG1 VAL 34 1HG1 VAL 34 -2.319 -20.486 -17.271
199 1HG2 VAL 34 1HG2 VAL 34 1.016 -22.144 -16.962
200 2HG2 VAL 34 3HG2 VAL 34 -0.664 -22.441 -17.357
201 3HG2 VAL 34 2HG2 VAL 34 0.305 -21.492 -18.447
202 H ILE 35 H ILE 35 2.336 -20.677 -17.655
203 HA ILE 35 HA ILE 35 3.711 -18.763 -19.196
204 HB ILE 35 HB ILE 35 4.527 -20.965 -19.244
205 1HG1 ILE 35 2HG1 ILE 35 3.029 -20.924 -21.922
206 2HG1 ILE 35 1HG1 ILE 35 4.340 -19.819 -21.599
207 1HG2 ILE 35 1HG2 ILE 35 1.710 -21.879 -19.912
208 2HG2 ILE 35 3HG2 ILE 35 3.083 -22.948 -20.050
209 3HG2 ILE 35 2HG2 ILE 35 2.677 -22.295 -18.493
210 1HD1 ILE 35 3HD1 ILE 35 5.731 -21.976 -20.992
211 2HD1 ILE 35 2HD1 ILE 35 4.475 -22.831 -21.873
212 3HD1 ILE 35 1HD1 ILE 35 5.440 -21.609 -22.679
213 H GLY 36 H GLY 36 0.548 -19.826 -19.308
214 1HA GLY 36 2HA GLY 36 -0.015 -18.631 -21.957
215 2HA GLY 36 1HA GLY 36 -1.075 -19.734 -21.115
216 H TYR 37 H TYR 37 -0.504 -17.805 -18.683
217 HA TYR 37 HA TYR 37 -2.330 -15.600 -19.444
218 1HB TYR 37 2HB TYR 37 -2.569 -16.922 -16.758
219 2HB TYR 37 1HB TYR 37 -3.764 -15.978 -17.610
220 HD1 TYR 37 HD2 TYR 37 -3.785 -17.757 -20.253
221 HD2 TYR 37 HD1 TYR 37 -3.928 -18.725 -16.125
222 HE1 TYR 37 HE2 TYR 37 -4.992 -19.777 -20.779
223 HE2 TYR 37 HE1 TYR 37 -5.150 -20.765 -16.669
224 HH TYR 37 HH TYR 37 -6.774 -21.342 -18.912
225 H SER 38 H SER 38 -1.446 -13.731 -18.963
226 HA SER 38 HA SER 38 0.589 -13.725 -16.765
227 1HB SER 38 2HB SER 38 1.643 -13.840 -19.080
228 2HB SER 38 1HB SER 38 0.967 -12.239 -19.426
229 HG SER 38 HG SER 38 3.079 -12.912 -17.847
230 H GLY 39 H GLY 39 1.259 -10.969 -17.381
231 1HA GLY 39 2HA GLY 39 0.453 -8.728 -17.059
232 2HA GLY 39 1HA GLY 39 -1.151 -9.354 -16.653
233 H ASP 40 H ASP 40 -0.600 -11.164 -15.032
234 HA ASP 40 HA ASP 40 0.539 -11.854 -12.930
235 1HB ASP 40 2HB ASP 40 0.379 -8.838 -12.490
236 2HB ASP 40 1HB ASP 40 0.181 -9.902 -11.129
237 H ARG 41 H ARG 41 -2.247 -11.067 -14.271
238 HA ARG 41 HA ARG 41 -3.868 -11.766 -11.879
239 1HB ARG 41 2HB ARG 41 -4.047 -9.297 -13.321
240 2HB ARG 41 1HB ARG 41 -5.341 -10.253 -13.980
241 1HG ARG 41 2HG ARG 41 -4.963 -10.198 -11.014
242 2HG ARG 41 1HG ARG 41 -5.582 -8.780 -11.789
243 1HD ARG 41 2HD ARG 41 -6.838 -11.140 -12.833
244 2HD ARG 41 1HD ARG 41 -7.090 -11.020 -11.128
245 HE ARG 41 HE ARG 41 -8.743 -9.730 -12.718
246 1HH1 ARG 41 1HH2 ARG 41 -6.851 -7.667 -13.346
247 2HH1 ARG 41 2HH2 ARG 41 -7.206 -6.402 -12.211
248 1HH2 ARG 41 2HH1 ARG 41 -8.983 -8.686 -10.203
249 2HH2 ARG 41 1HH1 ARG 41 -8.524 -7.020 -10.301
250 H CYS 42 H CYS 42 -2.836 -12.610 -14.837
251 HA CYS 42 HA CYS 42 -3.298 -14.186 -16.347
252 1HB CYS 42 2HB CYS 42 -5.561 -15.457 -14.877
253 2HB CYS 42 1HB CYS 42 -4.127 -16.182 -15.536
254 H GLN 43 H GLN 43 -4.412 -11.939 -16.349
255 HA GLN 43 HA GLN 43 -7.247 -11.940 -17.213
256 1HB GLN 43 2HB GLN 43 -6.615 -9.425 -17.733
257 2HB GLN 43 1HB GLN 43 -6.738 -9.897 -16.060
258 1HG GLN 43 2HG GLN 43 -4.575 -8.979 -15.845
259 2HG GLN 43 1HG GLN 43 -3.993 -10.383 -16.592
260 1HE2 GLN 43 2HE2 GLN 43 -2.576 -8.556 -19.002
261 2HE2 GLN 43 1HE2 GLN 43 -2.568 -9.866 -17.903
262 H THR 44 H THR 44 -4.056 -11.591 -18.366
263 HA THR 44 HA THR 44 -4.943 -11.543 -21.217
264 HB THR 44 HB THR 44 -3.189 -9.926 -20.652
265 HG1 THR 44 HG1 THR 44 -2.196 -10.481 -22.460
266 1HG2 THR 44 3HG2 THR 44 -2.282 -11.701 -18.780
267 2HG2 THR 44 2HG2 THR 44 -1.133 -11.961 -20.066
268 3HG2 THR 44 1HG2 THR 44 -1.317 -10.357 -19.373
269 H ARG 45 H ARG 45 -5.802 -13.599 -21.065
270 HA ARG 45 HA ARG 45 -4.136 -15.866 -20.336
271 1HB ARG 45 2HB ARG 45 -6.793 -15.924 -21.826
272 2HB ARG 45 1HB ARG 45 -6.142 -17.085 -20.719
273 1HG ARG 45 2HG ARG 45 -6.301 -15.505 -18.854
274 2HG ARG 45 1HG ARG 45 -7.011 -14.298 -19.884
275 1HD ARG 45 2HD ARG 45 -8.258 -16.997 -19.171
276 2HD ARG 45 1HD ARG 45 -8.699 -15.427 -18.523
277 HE ARG 45 HE ARG 45 -10.227 -16.086 -20.351
278 1HH1 ARG 45 1HH2 ARG 45 -8.684 -13.417 -20.666
279 2HH1 ARG 45 2HH2 ARG 45 -8.511 -13.362 -22.390
280 1HH2 ARG 45 2HH1 ARG 45 -9.446 -16.760 -22.647
281 2HH2 ARG 45 1HH1 ARG 45 -8.955 -15.392 -23.591
282 H ASP 46 H ASP 46 -2.500 -15.368 -21.653
283 HA ASP 46 HA ASP 46 -2.722 -14.670 -24.335
284 1HB ASP 46 2HB ASP 46 -0.537 -14.608 -23.057
285 2HB ASP 46 1HB ASP 46 -0.493 -16.370 -23.062
286 H LEU 47 H LEU 47 -2.949 -17.554 -22.699
287 HA LEU 47 HA LEU 47 -4.017 -19.559 -23.087
288 1HB LEU 47 2HB LEU 47 -4.744 -18.154 -25.427
289 2HB LEU 47 1HB LEU 47 -3.838 -19.437 -26.152
290 HG LEU 47 HG LEU 47 -6.206 -20.022 -26.059
291 1HD1 LEU 47 3HD1 LEU 47 -4.757 -21.956 -25.554
292 2HD1 LEU 47 2HD1 LEU 47 -4.830 -21.606 -23.835
293 3HD1 LEU 47 1HD1 LEU 47 -6.272 -22.079 -24.706
294 1HD2 LEU 47 2HD2 LEU 47 -6.099 -18.767 -23.365
295 2HD2 LEU 47 1HD2 LEU 47 -7.404 -18.867 -24.518
296 3HD2 LEU 47 3HD2 LEU 47 -7.095 -20.213 -23.446
297 H ARG 48 HN ARG 48 -3.009 -21.006 -25.664
298 HA ARG 48 HA ARG 48 -1.411 -22.774 -25.758
299 1HB ARG 48 2HB ARG 48 0.803 -21.719 -26.485
300 2HB ARG 48 1HB ARG 48 -0.593 -21.115 -27.351
301 1HG ARG 48 2HG ARG 48 -0.635 -19.059 -26.048
302 2HG ARG 48 1HG ARG 48 0.518 -19.664 -24.894
303 1HD ARG 48 2HD ARG 48 0.983 -18.416 -27.535
304 2HD ARG 48 1HD ARG 48 1.988 -18.437 -26.097
305 HE ARG 48 HE ARG 48 2.752 -20.739 -26.771
306 1HH1 ARG 48 1HH1 ARG 48 1.207 -21.796 -28.719
307 2HH1 ARG 48 2HH1 ARG 48 1.834 -21.291 -30.245
308 1HH2 ARG 48 1HH2 ARG 48 3.583 -18.633 -28.700
309 2HH2 ARG 48 2HH2 ARG 48 3.280 -19.360 -30.239
No H/Q in entry = 309
Start of MODEL 3
1 1H PRO 4 1H PRO 4 3.205 -0.091 -4.477
2 2H PRO 4 2H PRO 4 2.561 1.316 -5.196
3 HA PRO 4 HA PRO 4 1.418 0.039 -6.593
4 1HB PRO 4 2HB PRO 4 3.659 -1.661 -7.583
5 2HB PRO 4 1HB PRO 4 2.710 -0.478 -8.498
6 1HG PRO 4 2HG PRO 4 5.305 -0.045 -7.739
7 2HG PRO 4 1HG PRO 4 4.147 1.257 -8.004
8 1HD PRO 4 2HD PRO 4 5.170 0.140 -5.422
9 2HD PRO 4 1HD PRO 4 4.643 1.783 -5.801
10 H GLY 5 H GLY 5 0.298 -2.021 -6.534
11 1HA GLY 5 2HA GLY 5 0.849 -4.503 -5.890
12 2HA GLY 5 1HA GLY 5 1.277 -3.768 -4.346
13 1HN ABA 6 HN ABA 6 -0.526 -5.610 -4.075
14 HA ABA 6 HA ABA 6 -2.958 -4.031 -3.455
15 1HB ABA 6 1HB ABA 6 -4.109 -6.330 -4.527
16 2HB ABA 6 2HB ABA 6 -2.712 -6.101 -5.541
17 1HG ABA 6 1HG ABA 6 -5.197 -4.549 -5.523
18 2HG ABA 6 2HG ABA 6 -3.913 -4.594 -6.721
19 3HG ABA 6 3HG ABA 6 -3.804 -3.493 -5.365
20 HA PRO 7 HA PRO 7 -2.460 -7.907 -0.702
21 1HB PRO 7 2HB PRO 7 -0.797 -7.302 1.357
22 2HB PRO 7 1HB PRO 7 -0.211 -7.864 -0.201
23 1HG PRO 7 2HG PRO 7 -0.263 -5.044 0.864
24 2HG PRO 7 1HG PRO 7 0.952 -5.818 -0.132
25 1HD PRO 7 2HD PRO 7 -1.120 -4.120 -1.131
26 2HD PRO 7 1HD PRO 7 -0.213 -5.261 -2.128
27 H SER 8 H SER 8 -4.019 -5.450 -0.623
28 HA SER 8 HA SER 8 -4.921 -5.349 2.214
29 1HB SER 8 2HB SER 8 -4.474 -3.172 0.728
30 2HB SER 8 1HB SER 8 -6.012 -3.576 -0.038
31 HG SER 8 HG SER 8 -6.509 -3.825 2.510
32 H SER 9 H SER 9 -5.745 -6.476 -1.006
33 HA SER 9 HA SER 9 -7.995 -7.957 0.102
34 1HB SER 9 2HB SER 9 -9.193 -5.872 -0.509
35 2HB SER 9 1HB SER 9 -8.404 -5.843 -2.092
36 HG SER 9 HG SER 9 -10.022 -7.046 -2.689
37 H TYR 10 H TYR 10 -8.082 -9.879 -0.978
38 HA TYR 10 HA TYR 10 -6.721 -10.093 -3.545
39 1HB TYR 10 2HB TYR 10 -6.245 -12.541 -2.625
40 2HB TYR 10 1HB TYR 10 -5.206 -11.249 -2.090
41 HD1 TYR 10 HD2 TYR 10 -8.122 -13.258 -1.115
42 HD2 TYR 10 HD1 TYR 10 -5.087 -10.601 0.244
43 HE1 TYR 10 HE2 TYR 10 -8.714 -13.767 1.225
44 HE2 TYR 10 HE1 TYR 10 -5.683 -11.113 2.567
45 HH TYR 10 HH TYR 10 -6.940 -13.444 3.663
46 H ASP 11 H ASP 11 -9.476 -9.707 -2.603
47 HA ASP 11 HA ASP 11 -10.951 -12.089 -3.171
48 1HB ASP 11 2HB ASP 11 -11.705 -9.131 -2.981
49 2HB ASP 11 1HB ASP 11 -12.896 -10.321 -3.466
50 H GLY 12 H GLY 12 -11.498 -12.863 -5.102
51 1HA GLY 12 2HA GLY 12 -11.220 -13.180 -7.455
52 2HA GLY 12 1HA GLY 12 -12.221 -11.722 -7.482
53 H TYR 13 H TYR 13 -8.935 -12.324 -6.502
54 HA TYR 13 HA TYR 13 -7.950 -10.018 -8.066
55 1HB TYR 13 2HB TYR 13 -7.464 -10.415 -5.607
56 2HB TYR 13 1HB TYR 13 -6.537 -11.859 -6.035
57 HD1 TYR 13 HD1 TYR 13 -4.425 -11.650 -7.266
58 HD2 TYR 13 HD2 TYR 13 -6.579 -8.190 -6.058
59 HE1 TYR 13 HE1 TYR 13 -2.440 -10.315 -7.622
60 HE2 TYR 13 HE2 TYR 13 -4.602 -6.854 -6.434
61 HH TYR 13 HH TYR 13 -1.553 -8.084 -6.597
62 H CYS 14 H CYS 14 -8.005 -13.308 -8.456
63 HA CYS 14 HA CYS 14 -5.913 -13.150 -10.585
64 1HB CYS 14 2HB CYS 14 -6.683 -15.619 -8.998
65 2HB CYS 14 1HB CYS 14 -5.307 -15.375 -10.052
66 H LEU 15 H LEU 15 -6.453 -14.628 -12.365
67 HA LEU 15 HA LEU 15 -9.408 -14.897 -12.745
68 1HB LEU 15 2HB LEU 15 -7.465 -13.453 -14.299
69 2HB LEU 15 1HB LEU 15 -7.984 -14.766 -15.277
70 HG LEU 15 HG LEU 15 -10.422 -13.751 -14.439
71 1HD1 LEU 15 1HD1 LEU 15 -8.392 -11.453 -14.647
72 2HD1 LEU 15 3HD1 LEU 15 -10.125 -11.223 -14.621
73 3HD1 LEU 15 2HD1 LEU 15 -9.311 -11.887 -13.227
74 1HD2 LEU 15 2HD2 LEU 15 -8.575 -13.295 -16.786
75 2HD2 LEU 15 1HD2 LEU 15 -10.132 -14.070 -16.775
76 3HD2 LEU 15 3HD2 LEU 15 -10.020 -12.317 -16.707
77 H ASN 16 H ASN 16 -6.428 -16.438 -13.470
78 HA ASN 16 HA ASN 16 -7.830 -19.004 -13.856
79 1HB ASN 16 2HB ASN 16 -5.995 -17.941 -16.046
80 2HB ASN 16 1HB ASN 16 -6.642 -19.577 -15.965
81 1HD2 ASN 16 2HD2 ASN 16 -9.106 -16.528 -16.956
82 2HD2 ASN 16 1HD2 ASN 16 -7.592 -16.187 -16.254
83 H GLY 17 H GLY 17 -4.360 -18.139 -14.489
84 1HA GLY 17 2HA GLY 17 -3.457 -20.717 -13.511
85 2HA GLY 17 1HA GLY 17 -2.426 -19.349 -13.901
86 H GLY 18 H GLY 18 -4.159 -17.693 -12.367
87 1HA GLY 18 2HA GLY 18 -3.454 -16.518 -10.369
88 2HA GLY 18 1HA GLY 18 -4.936 -17.392 -10.077
89 H VAL 19 H VAL 19 -1.440 -18.168 -9.826
90 HA VAL 19 HA VAL 19 -2.087 -19.543 -7.322
91 HB VAL 19 HB VAL 19 0.265 -19.302 -9.295
92 1HG1 VAL 19 2HG1 VAL 19 0.534 -20.125 -6.419
93 2HG1 VAL 19 1HG1 VAL 19 1.633 -20.734 -7.663
94 3HG1 VAL 19 3HG1 VAL 19 1.513 -19.008 -7.358
95 1HG2 VAL 19 3HG2 VAL 19 -1.534 -21.139 -9.431
96 2HG2 VAL 19 2HG2 VAL 19 0.136 -21.646 -9.527
97 3HG2 VAL 19 1HG2 VAL 19 -0.760 -21.857 -8.027
98 1HN ABA 20 HN ABA 20 -2.660 -18.037 -6.096
99 HA ABA 20 HA ABA 20 -1.651 -15.405 -5.859
100 1HB ABA 20 1HB ABA 20 -3.197 -17.253 -4.000
101 2HB ABA 20 2HB ABA 20 -3.803 -16.130 -5.148
102 1HG ABA 20 1HG ABA 20 -3.272 -15.726 -2.361
103 2HG ABA 20 2HG ABA 20 -3.662 -14.437 -3.469
104 3HG ABA 20 3HG ABA 20 -1.978 -14.853 -3.116
105 H MET 21 H MET 21 0.448 -15.040 -5.520
106 HA MET 21 HA MET 21 1.778 -16.383 -3.219
107 1HB MET 21 2HB MET 21 3.931 -16.228 -4.582
108 2HB MET 21 1HB MET 21 2.776 -17.373 -5.222
109 1HG MET 21 2HG MET 21 2.112 -15.859 -6.965
110 2HG MET 21 1HG MET 21 3.020 -14.545 -6.270
111 1HE MET 21 2HE MET 21 2.989 -15.024 -9.151
112 2HE MET 21 1HE MET 21 4.068 -13.825 -8.526
113 3HE MET 21 3HE MET 21 4.669 -15.009 -9.679
114 H HIS 22 H HIS 22 1.999 -14.819 -1.763
115 HA HIS 22 HA HIS 22 1.782 -12.069 -2.448
116 1HB HIS 22 2HB HIS 22 1.362 -12.941 -0.234
117 2HB HIS 22 1HB HIS 22 3.080 -13.403 -0.088
118 HD1 HIS 22 HD1 HIS 22 2.910 -10.137 -1.551
119 HD2 HIS 22 HD2 HIS 22 2.626 -11.696 2.289
120 HE1 HIS 22 HE1 HIS 22 3.322 -8.334 0.074
121 H ILE 23 H ILE 23 3.346 -10.894 -3.522
122 HA ILE 23 HA ILE 23 6.002 -12.074 -3.769
123 HB ILE 23 HB ILE 23 4.175 -11.233 -5.629
124 1HG1 ILE 23 2HG1 ILE 23 6.490 -10.808 -6.944
125 2HG1 ILE 23 1HG1 ILE 23 7.077 -11.755 -5.598
126 1HG2 ILE 23 1HG2 ILE 23 4.643 -8.837 -4.721
127 2HG2 ILE 23 3HG2 ILE 23 6.109 -8.923 -5.653
128 3HG2 ILE 23 2HG2 ILE 23 4.552 -9.057 -6.456
129 1HD1 ILE 23 3HD1 ILE 23 4.766 -13.146 -6.480
130 2HD1 ILE 23 2HD1 ILE 23 5.560 -12.599 -7.948
131 3HD1 ILE 23 1HD1 ILE 23 6.418 -13.603 -6.806
132 H GLU 24 H GLU 24 4.998 -10.513 -1.479
133 HA GLU 24 HA GLU 24 5.704 -7.892 -1.257
134 1HB GLU 24 2HB GLU 24 5.441 -9.935 0.710
135 2HB GLU 24 1HB GLU 24 7.117 -9.508 0.891
136 1HG GLU 24 2HG GLU 24 4.965 -7.330 0.881
137 2HG GLU 24 1HG GLU 24 5.441 -8.152 2.347
138 H SER 25 H SER 25 7.747 -10.504 -1.362
139 HA SER 25 HA SER 25 10.288 -9.892 -1.007
140 1HB SER 25 2HB SER 25 9.524 -11.095 -3.677
141 2HB SER 25 1HB SER 25 10.719 -11.727 -2.537
142 HG SER 25 HG SER 25 9.117 -12.852 -1.731
143 H LEU 26 H LEU 26 8.612 -9.085 -3.793
144 HA LEU 26 HA LEU 26 10.629 -7.050 -4.598
145 1HB LEU 26 2HB LEU 26 8.930 -7.418 -6.820
146 2HB LEU 26 1HB LEU 26 10.605 -7.895 -6.689
147 HG LEU 26 HG LEU 26 8.366 -9.522 -5.592
148 1HD1 LEU 26 2HD1 LEU 26 9.441 -9.517 -8.472
149 2HD1 LEU 26 1HD1 LEU 26 8.430 -10.802 -7.845
150 3HD1 LEU 26 3HD1 LEU 26 7.799 -9.170 -7.967
151 1HD2 LEU 26 1HD2 LEU 26 10.922 -10.050 -5.145
152 2HD2 LEU 26 3HD2 LEU 26 9.995 -11.398 -5.789
153 3HD2 LEU 26 2HD2 LEU 26 11.031 -10.458 -6.840
154 H ASP 27 H ASP 27 7.257 -7.601 -4.017
155 HA ASP 27 HA ASP 27 6.928 -4.685 -4.068
156 1HB ASP 27 2HB ASP 27 5.566 -6.511 -6.080
157 2HB ASP 27 1HB ASP 27 4.758 -5.030 -5.586
158 H SER 28 H SER 28 4.470 -7.081 -4.377
159 HA SER 28 HA SER 28 3.557 -6.785 -1.571
160 1HB SER 28 2HB SER 28 1.788 -5.328 -1.933
161 2HB SER 28 1HB SER 28 2.879 -4.722 -3.148
162 HG SER 28 HG SER 28 1.936 -6.301 -4.598
163 H TYR 29 H TYR 29 0.881 -7.386 -2.864
164 HA TYR 29 HA TYR 29 1.357 -10.351 -3.010
165 1HB TYR 29 2HB TYR 29 -0.345 -10.205 -1.412
166 2HB TYR 29 1HB TYR 29 -0.975 -8.689 -2.063
167 HD1 TYR 29 HD1 TYR 29 -0.456 -12.177 -3.283
168 HD2 TYR 29 HD2 TYR 29 -3.186 -8.908 -2.984
169 HE1 TYR 29 HE1 TYR 29 -2.093 -13.420 -4.545
170 HE2 TYR 29 HE2 TYR 29 -4.824 -10.202 -4.239
171 HH TYR 29 HH TYR 29 -4.011 -13.250 -5.765
172 H THR 30 H THR 30 0.957 -11.551 -4.648
173 HA THR 30 HA THR 30 -0.567 -10.513 -6.901
174 HB THR 30 HB THR 30 1.961 -9.876 -6.717
175 HG1 THR 30 HG1 THR 30 1.227 -9.319 -8.723
176 1HG2 THR 30 1HG2 THR 30 2.652 -12.423 -6.809
177 2HG2 THR 30 3HG2 THR 30 2.230 -12.339 -8.517
178 3HG2 THR 30 2HG2 THR 30 3.494 -11.304 -7.866
179 H CYS 31 H CYS 31 -0.174 -12.168 -8.754
180 HA CYS 31 HA CYS 31 -0.520 -14.916 -7.632
181 1HB CYS 31 2HB CYS 31 -2.487 -13.284 -8.994
182 2HB CYS 31 1HB CYS 31 -2.043 -14.569 -10.082
183 H ASN 32 H ASN 32 0.129 -16.528 -9.039
184 HA ASN 32 HA ASN 32 2.187 -15.712 -11.076
185 1HB ASN 32 2HB ASN 32 2.601 -17.311 -8.832
186 2HB ASN 32 1HB ASN 32 2.213 -18.534 -10.028
187 1HD2 ASN 32 2HD2 ASN 32 5.906 -17.650 -10.169
188 2HD2 ASN 32 1HD2 ASN 32 4.920 -18.013 -8.835
189 H CYS 33 H CYS 33 0.913 -15.593 -12.838
190 HA CYS 33 HA CYS 33 -0.906 -17.803 -13.433
191 1HB CYS 33 2HB CYS 33 -0.391 -15.284 -15.086
192 2HB CYS 33 1HB CYS 33 -1.695 -16.397 -15.144
193 H VAL 34 H VAL 34 -0.710 -18.934 -15.218
194 HA VAL 34 HA VAL 34 1.770 -20.015 -15.891
195 HB VAL 34 HB VAL 34 -0.549 -21.025 -15.867
196 1HG1 VAL 34 2HG1 VAL 34 -1.438 -19.055 -17.230
197 2HG1 VAL 34 1HG1 VAL 34 -1.146 -20.095 -18.607
198 3HG1 VAL 34 3HG1 VAL 34 -2.143 -20.660 -17.303
199 1HG2 VAL 34 2HG2 VAL 34 1.358 -22.216 -17.136
200 2HG2 VAL 34 1HG2 VAL 34 -0.304 -22.665 -17.487
201 3HG2 VAL 34 3HG2 VAL 34 0.551 -21.634 -18.599
202 H ILE 35 H ILE 35 2.390 -20.599 -17.979
203 HA ILE 35 HA ILE 35 3.499 -18.356 -19.367
204 HB ILE 35 HB ILE 35 4.638 -20.443 -19.592
205 1HG1 ILE 35 2HG1 ILE 35 3.200 -20.535 -22.253
206 2HG1 ILE 35 1HG1 ILE 35 4.131 -19.109 -21.854
207 1HG2 ILE 35 2HG2 ILE 35 1.912 -21.631 -20.187
208 2HG2 ILE 35 1HG2 ILE 35 3.360 -22.492 -20.656
209 3HG2 ILE 35 3HG2 ILE 35 3.090 -22.122 -18.974
210 1HD1 ILE 35 3HD1 ILE 35 6.154 -20.543 -21.430
211 2HD1 ILE 35 2HD1 ILE 35 5.233 -21.955 -21.920
212 3HD1 ILE 35 1HD1 ILE 35 5.570 -20.682 -23.075
213 H GLY 36 H GLY 36 0.541 -19.917 -19.487
214 1HA GLY 36 2HA GLY 36 -0.268 -18.781 -22.076
215 2HA GLY 36 1HA GLY 36 -1.223 -19.894 -21.129
216 H TYR 37 H TYR 37 -0.409 -17.752 -18.837
217 HA TYR 37 HA TYR 37 -2.388 -15.670 -19.513
218 1HB TYR 37 2HB TYR 37 -2.549 -16.871 -16.788
219 2HB TYR 37 1HB TYR 37 -3.789 -16.041 -17.705
220 HD1 TYR 37 HD2 TYR 37 -4.132 -17.825 -20.084
221 HD2 TYR 37 HD1 TYR 37 -3.502 -18.860 -16.030
222 HE1 TYR 37 HE2 TYR 37 -5.290 -19.892 -20.465
223 HE2 TYR 37 HE1 TYR 37 -4.696 -20.971 -16.406
224 HH TYR 37 HH TYR 37 -6.374 -21.653 -19.360
225 H SER 38 H SER 38 -1.501 -13.647 -18.943
226 HA SER 38 HA SER 38 0.588 -13.858 -16.760
227 1HB SER 38 2HB SER 38 1.522 -13.616 -19.110
228 2HB SER 38 1HB SER 38 0.840 -11.985 -19.160
229 HG SER 38 HG SER 38 3.018 -12.893 -17.810
230 H GLY 39 H GLY 39 1.176 -11.009 -17.099
231 1HA GLY 39 2HA GLY 39 0.871 -9.145 -15.706
232 2HA GLY 39 1HA GLY 39 -0.633 -9.052 -16.589
233 H ASP 40 H ASP 40 0.824 -10.615 -13.884
234 HA ASP 40 HA ASP 40 0.002 -11.574 -11.933
235 1HB ASP 40 2HB ASP 40 -0.801 -8.681 -11.801
236 2HB ASP 40 1HB ASP 40 -0.671 -9.721 -10.404
237 H ARG 41 H ARG 41 -2.430 -11.217 -13.974
238 HA ARG 41 HA ARG 41 -4.395 -11.908 -11.866
239 1HB ARG 41 2HB ARG 41 -4.376 -9.530 -13.472
240 2HB ARG 41 1HB ARG 41 -5.665 -10.533 -14.132
241 1HG ARG 41 2HG ARG 41 -5.416 -10.073 -11.191
242 2HG ARG 41 1HG ARG 41 -6.282 -8.959 -12.215
243 1HD ARG 41 2HD ARG 41 -7.105 -11.543 -12.965
244 2HD ARG 41 1HD ARG 41 -7.078 -11.478 -11.225
245 HE ARG 41 HE ARG 41 -8.480 -9.370 -12.780
246 1HH1 ARG 41 2HH1 ARG 41 -9.140 -12.213 -11.212
247 2HH1 ARG 41 1HH1 ARG 41 -10.243 -11.505 -10.090
248 1HH2 ARG 41 1HH2 ARG 41 -9.415 -8.257 -11.007
249 2HH2 ARG 41 2HH2 ARG 41 -10.395 -9.219 -9.927
250 H CYS 42 H CYS 42 -3.106 -12.353 -14.971
251 HA CYS 42 HA CYS 42 -3.243 -14.101 -16.407
252 1HB CYS 42 2HB CYS 42 -5.577 -15.391 -15.019
253 2HB CYS 42 1HB CYS 42 -4.209 -16.160 -15.751
254 H GLN 43 H GLN 43 -4.446 -11.768 -16.508
255 HA GLN 43 HA GLN 43 -7.271 -11.961 -17.377
256 1HB GLN 43 2HB GLN 43 -6.629 -9.403 -17.974
257 2HB GLN 43 1HB GLN 43 -7.091 -9.889 -16.360
258 1HG GLN 43 2HG GLN 43 -4.982 -8.441 -16.393
259 2HG GLN 43 1HG GLN 43 -4.637 -10.004 -15.714
260 1HE2 GLN 43 2HE2 GLN 43 -2.005 -10.195 -17.775
261 2HE2 GLN 43 1HE2 GLN 43 -2.667 -10.339 -16.224
262 H THR 44 H THR 44 -4.199 -11.970 -18.563
263 HA THR 44 HA THR 44 -5.080 -11.735 -21.414
264 HB THR 44 HB THR 44 -3.392 -10.061 -20.981
265 HG1 THR 44 HG1 THR 44 -2.343 -10.749 -22.659
266 1HG2 THR 44 3HG2 THR 44 -2.501 -11.615 -18.873
267 2HG2 THR 44 2HG2 THR 44 -1.223 -11.771 -20.056
268 3HG2 THR 44 1HG2 THR 44 -1.742 -10.167 -19.524
269 H ARG 45 H ARG 45 -5.785 -13.839 -21.504
270 HA ARG 45 HA ARG 45 -4.031 -15.968 -20.603
271 1HB ARG 45 2HB ARG 45 -6.629 -16.053 -22.225
272 2HB ARG 45 1HB ARG 45 -5.931 -17.330 -21.298
273 1HG ARG 45 2HG ARG 45 -6.054 -15.371 -19.370
274 2HG ARG 45 1HG ARG 45 -7.426 -14.954 -20.371
275 1HD ARG 45 2HD ARG 45 -6.917 -17.550 -18.856
276 2HD ARG 45 1HD ARG 45 -8.276 -16.431 -18.748
277 HE ARG 45 HE ARG 45 -7.819 -18.080 -21.197
278 1HH1 ARG 45 2HH1 ARG 45 -9.855 -16.959 -22.155
279 2HH1 ARG 45 1HH1 ARG 45 -11.312 -17.390 -21.332
280 1HH2 ARG 45 1HH2 ARG 45 -9.452 -18.576 -18.538
281 2HH2 ARG 45 2HH2 ARG 45 -11.050 -18.386 -19.152
282 H ASP 46 H ASP 46 -2.326 -15.343 -21.761
283 HA ASP 46 HA ASP 46 -2.407 -14.653 -24.455
284 1HB ASP 46 2HB ASP 46 -0.431 -14.429 -22.755
285 2HB ASP 46 1HB ASP 46 -0.008 -16.078 -23.197
286 H LEU 47 H LEU 47 -2.869 -17.451 -22.920
287 HA LEU 47 HA LEU 47 -3.462 -19.541 -23.305
288 1HB LEU 47 2HB LEU 47 -4.069 -18.172 -25.753
289 2HB LEU 47 1HB LEU 47 -3.344 -19.677 -26.262
290 HG LEU 47 HG LEU 47 -5.471 -19.777 -24.089
291 1HD1 LEU 47 3HD1 LEU 47 -6.067 -19.437 -27.057
292 2HD1 LEU 47 2HD1 LEU 47 -7.243 -19.913 -25.837
293 3HD1 LEU 47 1HD1 LEU 47 -6.510 -18.324 -25.771
294 1HD2 LEU 47 2HD2 LEU 47 -4.220 -21.842 -24.857
295 2HD2 LEU 47 1HD2 LEU 47 -5.950 -21.959 -25.124
296 3HD2 LEU 47 3HD2 LEU 47 -4.877 -21.605 -26.467
297 H ARG 48 HN ARG 48 -0.832 -18.583 -24.924
298 HA ARG 48 HA ARG 48 0.699 -20.348 -26.103
299 1HB ARG 48 2HB ARG 48 1.553 -19.225 -23.410
300 2HB ARG 48 1HB ARG 48 2.640 -20.101 -24.456
301 1HG ARG 48 2HG ARG 48 2.176 -18.452 -26.297
302 2HG ARG 48 1HG ARG 48 1.201 -17.528 -25.174
303 1HD ARG 48 2HD ARG 48 3.423 -16.551 -25.094
304 2HD ARG 48 1HD ARG 48 3.267 -17.486 -23.616
305 HE ARG 48 HE ARG 48 4.551 -19.326 -24.830
306 1HH1 ARG 48 1HH1 ARG 48 4.530 -18.349 -27.473
307 2HH1 ARG 48 2HH1 ARG 48 6.019 -17.505 -27.687
308 1HH2 ARG 48 1HH2 ARG 48 6.382 -17.282 -24.154
309 2HH2 ARG 48 2HH2 ARG 48 7.191 -16.860 -25.628
No H/Q in entry = 309
Start of MODEL 4
1 1H PRO 4 1H PRO 4 2.226 -0.877 0.762
2 2H PRO 4 2H PRO 4 1.383 0.586 1.002
3 HA PRO 4 HA PRO 4 0.823 0.625 -1.118
4 1HB PRO 4 2HB PRO 4 3.427 0.139 -2.414
5 2HB PRO 4 1HB PRO 4 2.486 1.629 -2.401
6 1HG PRO 4 2HG PRO 4 4.846 1.160 -0.941
7 2HG PRO 4 1HG PRO 4 3.734 2.496 -0.689
8 1HD PRO 4 2HD PRO 4 4.164 0.115 0.976
9 2HD PRO 4 1HD PRO 4 3.296 1.597 1.374
10 H GLY 5 H GLY 5 0.088 -0.885 -2.663
11 1HA GLY 5 2HA GLY 5 0.699 -3.002 -3.927
12 2HA GLY 5 1HA GLY 5 1.150 -3.657 -2.356
13 1HN ABA 6 HN ABA 6 -0.475 -5.320 -3.144
14 HA ABA 6 HA ABA 6 -3.163 -4.417 -2.253
15 1HB ABA 6 1HB ABA 6 -3.657 -6.564 -4.002
16 2HB ABA 6 2HB ABA 6 -2.297 -5.793 -4.752
17 1HG ABA 6 1HG ABA 6 -3.940 -4.486 -5.712
18 2HG ABA 6 2HG ABA 6 -3.795 -3.563 -4.233
19 3HG ABA 6 3HG ABA 6 -5.082 -4.749 -4.402
20 HA PRO 7 HA PRO 7 -2.731 -8.546 -0.142
21 1HB PRO 7 2HB PRO 7 -1.172 -8.197 2.068
22 2HB PRO 7 1HB PRO 7 -0.571 -8.782 0.522
23 1HG PRO 7 2HG PRO 7 -0.134 -6.105 1.771
24 2HG PRO 7 1HG PRO 7 0.791 -6.901 0.516
25 1HD PRO 7 2HD PRO 7 -1.286 -4.843 0.116
26 2HD PRO 7 1HD PRO 7 -0.328 -5.678 -1.112
27 H SER 8 H SER 8 -4.283 -6.247 -0.063
28 HA SER 8 HA SER 8 -5.222 -6.023 2.766
29 1HB SER 8 2HB SER 8 -4.839 -3.899 1.195
30 2HB SER 8 1HB SER 8 -6.355 -4.390 0.430
31 HG SER 8 HG SER 8 -6.813 -4.573 3.006
32 H SER 9 H SER 9 -6.039 -7.192 -0.420
33 HA SER 9 HA SER 9 -8.044 -8.965 0.596
34 1HB SER 9 2HB SER 9 -9.444 -6.795 0.322
35 2HB SER 9 1HB SER 9 -9.036 -6.850 -1.410
36 HG SER 9 HG SER 9 -10.889 -8.257 -0.185
37 H TYR 10 H TYR 10 -8.532 -10.414 -1.073
38 HA TYR 10 HA TYR 10 -6.964 -10.182 -3.518
39 1HB TYR 10 2HB TYR 10 -6.812 -12.901 -3.037
40 2HB TYR 10 1HB TYR 10 -5.591 -11.790 -2.485
41 HD1 TYR 10 HD1 TYR 10 -8.633 -13.542 -1.439
42 HD2 TYR 10 HD2 TYR 10 -5.269 -11.278 -0.141
43 HE1 TYR 10 HE1 TYR 10 -9.156 -14.100 0.899
44 HE2 TYR 10 HE2 TYR 10 -5.789 -11.834 2.183
45 HH TYR 10 HH TYR 10 -7.234 -12.933 3.596
46 H ASP 11 H ASP 11 -9.914 -10.014 -2.618
47 HA ASP 11 HA ASP 11 -11.258 -12.187 -3.860
48 1HB ASP 11 2HB ASP 11 -13.259 -10.761 -3.751
49 2HB ASP 11 1HB ASP 11 -12.339 -10.471 -2.289
50 H GLY 12 H GLY 12 -11.816 -12.499 -5.989
51 1HA GLY 12 2HA GLY 12 -11.408 -12.410 -8.337
52 2HA GLY 12 1HA GLY 12 -12.115 -10.807 -8.151
53 H TYR 13 H TYR 13 -9.129 -11.929 -6.803
54 HA TYR 13 HA TYR 13 -7.666 -9.730 -8.108
55 1HB TYR 13 2HB TYR 13 -7.580 -10.329 -5.649
56 2HB TYR 13 1HB TYR 13 -6.710 -11.809 -6.097
57 HD1 TYR 13 HD2 TYR 13 -4.426 -11.533 -7.233
58 HD2 TYR 13 HD1 TYR 13 -6.555 -8.192 -5.661
59 HE1 TYR 13 HE2 TYR 13 -2.421 -10.208 -7.334
60 HE2 TYR 13 HE1 TYR 13 -4.523 -6.867 -5.765
61 HH TYR 13 HH TYR 13 -1.455 -8.199 -6.175
62 H CYS 14 H CYS 14 -8.262 -12.909 -8.799
63 HA CYS 14 HA CYS 14 -5.954 -13.002 -10.672
64 1HB CYS 14 2HB CYS 14 -6.983 -15.360 -9.193
65 2HB CYS 14 1HB CYS 14 -5.506 -15.195 -10.112
66 H LEU 15 H LEU 15 -6.452 -14.186 -12.602
67 HA LEU 15 HA LEU 15 -9.386 -14.376 -13.086
68 1HB LEU 15 2HB LEU 15 -7.021 -13.794 -14.761
69 2HB LEU 15 1HB LEU 15 -8.021 -14.996 -15.514
70 HG LEU 15 HG LEU 15 -10.007 -13.265 -14.917
71 1HD1 LEU 15 3HD1 LEU 15 -7.457 -11.616 -15.004
72 2HD1 LEU 15 2HD1 LEU 15 -9.020 -10.896 -15.317
73 3HD1 LEU 15 1HD1 LEU 15 -8.686 -11.603 -13.753
74 1HD2 LEU 15 3HD2 LEU 15 -8.087 -13.361 -17.262
75 2HD2 LEU 15 2HD2 LEU 15 -9.793 -13.752 -17.221
76 3HD2 LEU 15 1HD2 LEU 15 -9.278 -12.082 -17.224
77 H ASN 16 H ASN 16 -6.782 -16.287 -14.309
78 HA ASN 16 HA ASN 16 -8.292 -18.767 -13.780
79 1HB ASN 16 2HB ASN 16 -6.566 -19.493 -15.856
80 2HB ASN 16 1HB ASN 16 -8.297 -19.210 -15.939
81 1HD2 ASN 16 2HD2 ASN 16 -7.919 -16.141 -17.465
82 2HD2 ASN 16 1HD2 ASN 16 -8.989 -17.368 -17.013
83 H GLY 17 H GLY 17 -4.821 -17.893 -14.494
84 1HA GLY 17 2HA GLY 17 -3.799 -20.262 -13.098
85 2HA GLY 17 1HA GLY 17 -2.886 -19.026 -13.926
86 H GLY 18 H GLY 18 -5.323 -18.629 -11.614
87 1HA GLY 18 2HA GLY 18 -3.991 -16.545 -10.165
88 2HA GLY 18 1HA GLY 18 -5.501 -17.299 -9.675
89 H VAL 19 H VAL 19 -1.998 -17.974 -9.755
90 HA VAL 19 HA VAL 19 -2.339 -19.532 -7.305
91 HB VAL 19 HB VAL 19 -0.137 -18.928 -9.377
92 1HG1 VAL 19 3HG1 VAL 19 0.253 -20.415 -6.791
93 2HG1 VAL 19 2HG1 VAL 19 1.354 -20.527 -8.180
94 3HG1 VAL 19 1HG1 VAL 19 1.108 -18.995 -7.366
95 1HG2 VAL 19 3HG2 VAL 19 -2.031 -20.740 -9.637
96 2HG2 VAL 19 2HG2 VAL 19 -0.396 -21.025 -10.209
97 3HG2 VAL 19 1HG2 VAL 19 -0.924 -21.727 -8.683
98 1HN ABA 20 HN ABA 20 -3.038 -18.004 -6.141
99 HA ABA 20 HA ABA 20 -1.937 -15.434 -5.709
100 1HB ABA 20 1HB ABA 20 -3.577 -17.291 -3.949
101 2HB ABA 20 2HB ABA 20 -4.118 -16.136 -5.099
102 1HG ABA 20 1HG ABA 20 -2.261 -14.919 -3.048
103 2HG ABA 20 2HG ABA 20 -3.549 -15.760 -2.259
104 3HG ABA 20 3HG ABA 20 -3.925 -14.460 -3.369
105 H MET 21 H MET 21 0.198 -15.338 -5.454
106 HA MET 21 HA MET 21 1.415 -16.712 -3.097
107 1HB MET 21 2HB MET 21 3.525 -16.797 -4.390
108 2HB MET 21 1HB MET 21 2.257 -17.564 -5.305
109 1HG MET 21 2HG MET 21 2.107 -15.907 -6.881
110 2HG MET 21 1HG MET 21 2.707 -14.644 -5.849
111 1HE MET 21 1HE MET 21 5.128 -15.127 -4.751
112 2HE MET 21 3HE MET 21 5.698 -16.742 -5.176
113 3HE MET 21 2HE MET 21 6.509 -15.315 -5.820
114 H HIS 22 H HIS 22 3.595 -15.260 -2.616
115 HA HIS 22 HA HIS 22 2.513 -12.464 -2.462
116 1HB HIS 22 2HB HIS 22 2.830 -13.744 -0.382
117 2HB HIS 22 1HB HIS 22 4.568 -13.775 -0.749
118 HD1 HIS 22 HD1 HIS 22 3.519 -10.507 -1.724
119 HD2 HIS 22 HD2 HIS 22 4.223 -12.429 1.902
120 HE1 HIS 22 HE1 HIS 22 3.922 -8.825 0.003
121 H ILE 23 H ILE 23 3.623 -10.961 -3.654
122 HA ILE 23 HA ILE 23 6.227 -11.761 -4.616
123 HB ILE 23 HB ILE 23 3.992 -10.991 -5.986
124 1HG1 ILE 23 2HG1 ILE 23 5.690 -10.496 -7.811
125 2HG1 ILE 23 1HG1 ILE 23 6.913 -10.879 -6.629
126 1HG2 ILE 23 3HG2 ILE 23 4.482 -8.625 -4.968
127 2HG2 ILE 23 2HG2 ILE 23 5.677 -8.525 -6.231
128 3HG2 ILE 23 1HG2 ILE 23 3.978 -8.748 -6.642
129 1HD1 ILE 23 3HD1 ILE 23 4.969 -13.004 -6.486
130 2HD1 ILE 23 2HD1 ILE 23 5.241 -12.695 -8.186
131 3HD1 ILE 23 1HD1 ILE 23 6.588 -13.099 -7.146
132 H GLU 24 H GLU 24 5.569 -10.459 -2.023
133 HA GLU 24 HA GLU 24 6.087 -7.749 -1.764
134 1HB GLU 24 2HB GLU 24 6.370 -9.958 0.063
135 2HB GLU 24 1HB GLU 24 7.915 -9.153 0.110
136 1HG GLU 24 2HG GLU 24 5.396 -7.433 0.313
137 2HG GLU 24 1HG GLU 24 5.997 -8.257 1.732
138 H SER 25 H SER 25 8.219 -10.183 -2.474
139 HA SER 25 HA SER 25 10.749 -9.377 -2.436
140 1HB SER 25 2HB SER 25 9.566 -10.495 -5.010
141 2HB SER 25 1HB SER 25 11.041 -11.055 -4.200
142 HG SER 25 HG SER 25 9.778 -12.334 -3.050
143 H LEU 26 H LEU 26 8.498 -8.398 -4.684
144 HA LEU 26 HA LEU 26 10.186 -6.177 -5.713
145 1HB LEU 26 2HB LEU 26 8.049 -6.525 -7.544
146 2HB LEU 26 1HB LEU 26 9.740 -6.836 -7.842
147 HG LEU 26 HG LEU 26 7.986 -8.789 -6.437
148 1HD1 LEU 26 2HD1 LEU 26 8.200 -8.302 -9.443
149 2HD1 LEU 26 1HD1 LEU 26 7.639 -9.835 -8.809
150 3HD1 LEU 26 3HD1 LEU 26 6.745 -8.362 -8.472
151 1HD2 LEU 26 3HD2 LEU 26 10.580 -9.090 -6.654
152 2HD2 LEU 26 2HD2 LEU 26 9.671 -10.439 -7.315
153 3HD2 LEU 26 1HD2 LEU 26 10.348 -9.224 -8.380
154 H ASP 27 H ASP 27 7.045 -7.173 -4.704
155 HA ASP 27 HA ASP 27 6.370 -4.362 -4.172
156 1HB ASP 27 2HB ASP 27 4.826 -6.097 -6.122
157 2HB ASP 27 1HB ASP 27 4.062 -4.728 -5.336
158 H SER 28 H SER 28 4.071 -6.970 -4.433
159 HA SER 28 HA SER 28 3.731 -7.183 -1.489
160 1HB SER 28 2HB SER 28 1.690 -6.086 -1.295
161 2HB SER 28 1HB SER 28 2.648 -5.019 -2.303
162 HG SER 28 HG SER 28 1.684 -6.311 -4.127
163 H TYR 29 H TYR 29 0.918 -7.819 -2.530
164 HA TYR 29 HA TYR 29 1.512 -10.767 -2.986
165 1HB TYR 29 2HB TYR 29 -0.126 -10.816 -1.250
166 2HB TYR 29 1HB TYR 29 -0.722 -9.214 -1.666
167 HD1 TYR 29 HD2 TYR 29 -0.536 -12.568 -3.226
168 HD2 TYR 29 HD1 TYR 29 -2.921 -9.124 -2.550
169 HE1 TYR 29 HE2 TYR 29 -2.326 -13.551 -4.536
170 HE2 TYR 29 HE1 TYR 29 -4.723 -10.131 -3.819
171 HH TYR 29 HH TYR 29 -5.208 -11.851 -5.255
172 H THR 30 H THR 30 0.945 -11.904 -4.621
173 HA THR 30 HA THR 30 -0.689 -10.703 -6.714
174 HB THR 30 HB THR 30 1.915 -10.149 -6.667
175 HG1 THR 30 HG1 THR 30 1.098 -10.697 -9.257
176 1HG2 THR 30 1HG2 THR 30 2.608 -12.581 -6.963
177 2HG2 THR 30 3HG2 THR 30 1.858 -12.571 -8.551
178 3HG2 THR 30 2HG2 THR 30 3.203 -11.492 -8.207
179 H CYS 31 H CYS 31 -0.630 -12.310 -8.682
180 HA CYS 31 HA CYS 31 -0.919 -15.053 -7.505
181 1HB CYS 31 2HB CYS 31 -2.775 -13.405 -8.981
182 2HB CYS 31 1HB CYS 31 -2.364 -14.776 -9.982
183 H ASN 32 H ASN 32 -0.139 -16.730 -8.934
184 HA ASN 32 HA ASN 32 1.918 -15.673 -10.855
185 1HB ASN 32 2HB ASN 32 3.063 -17.000 -9.175
186 2HB ASN 32 1HB ASN 32 1.872 -18.282 -9.255
187 1HD2 ASN 32 2HD2 ASN 32 3.814 -18.155 -12.796
188 2HD2 ASN 32 1HD2 ASN 32 2.878 -16.832 -12.330
189 H CYS 33 H CYS 33 0.354 -15.423 -12.477
190 HA CYS 33 HA CYS 33 -1.359 -17.426 -13.384
191 1HB CYS 33 2HB CYS 33 -0.005 -15.279 -15.037
192 2HB CYS 33 1HB CYS 33 -1.543 -16.037 -15.251
193 H VAL 34 H VAL 34 -1.223 -18.774 -15.023
194 HA VAL 34 HA VAL 34 1.026 -20.428 -15.100
195 HB VAL 34 HB VAL 34 -1.270 -21.123 -15.573
196 1HG1 VAL 34 3HG1 VAL 34 -1.725 -18.966 -16.933
197 2HG1 VAL 34 2HG1 VAL 34 -1.379 -20.002 -18.309
198 3HG1 VAL 34 1HG1 VAL 34 -2.615 -20.452 -17.163
199 1HG2 VAL 34 2HG2 VAL 34 0.553 -22.521 -16.690
200 2HG2 VAL 34 1HG2 VAL 34 -1.046 -22.610 -17.419
201 3HG2 VAL 34 3HG2 VAL 34 0.181 -21.636 -18.176
202 H ILE 35 H ILE 35 2.211 -21.058 -16.769
203 HA ILE 35 HA ILE 35 3.926 -19.183 -17.917
204 HB ILE 35 HB ILE 35 4.616 -21.436 -17.970
205 1HG1 ILE 35 2HG1 ILE 35 3.875 -21.229 -20.907
206 2HG1 ILE 35 1HG1 ILE 35 4.971 -20.058 -20.209
207 1HG2 ILE 35 1HG2 ILE 35 1.957 -22.064 -19.286
208 2HG2 ILE 35 3HG2 ILE 35 3.276 -23.206 -19.332
209 3HG2 ILE 35 2HG2 ILE 35 2.620 -22.721 -17.791
210 1HD1 ILE 35 1HD1 ILE 35 5.434 -23.064 -19.966
211 2HD1 ILE 35 3HD1 ILE 35 6.140 -22.068 -21.224
212 3HD1 ILE 35 2HD1 ILE 35 6.559 -21.783 -19.546
213 H GLY 36 H GLY 36 0.838 -20.102 -18.968
214 1HA GLY 36 2HA GLY 36 1.056 -18.671 -21.531
215 2HA GLY 36 1HA GLY 36 -0.271 -19.689 -21.068
216 H TYR 37 H TYR 37 -0.498 -18.121 -18.421
217 HA TYR 37 HA TYR 37 -1.919 -15.674 -19.527
218 1HB TYR 37 2HB TYR 37 -2.564 -17.014 -16.875
219 2HB TYR 37 1HB TYR 37 -3.632 -16.033 -17.854
220 HD1 TYR 37 HD1 TYR 37 -2.739 -17.917 -20.469
221 HD2 TYR 37 HD2 TYR 37 -4.479 -18.623 -16.655
222 HE1 TYR 37 HE1 TYR 37 -3.736 -19.933 -21.291
223 HE2 TYR 37 HE2 TYR 37 -5.520 -20.667 -17.542
224 HH TYR 37 HH TYR 37 -5.110 -22.279 -19.385
225 H SER 38 H SER 38 -1.185 -13.772 -18.864
226 HA SER 38 HA SER 38 0.562 -13.869 -16.523
227 1HB SER 38 2HB SER 38 1.998 -14.228 -18.538
228 2HB SER 38 1HB SER 38 1.386 -12.738 -19.264
229 HG SER 38 HG SER 38 3.275 -13.066 -17.322
230 H GLY 39 H GLY 39 1.389 -11.132 -17.559
231 1HA GLY 39 2HA GLY 39 0.692 -8.889 -17.371
232 2HA GLY 39 1HA GLY 39 -0.980 -9.443 -17.342
233 H ASP 40 H ASP 40 0.286 -11.322 -15.071
234 HA ASP 40 HA ASP 40 0.940 -11.041 -12.774
235 1HB ASP 40 2HB ASP 40 1.152 -8.472 -13.202
236 2HB ASP 40 1HB ASP 40 -0.538 -8.397 -12.731
237 H ARG 41 H ARG 41 -2.095 -10.735 -14.254
238 HA ARG 41 HA ARG 41 -3.410 -11.860 -11.903
239 1HB ARG 41 2HB ARG 41 -3.808 -9.246 -12.454
240 2HB ARG 41 1HB ARG 41 -4.873 -9.868 -13.698
241 1HG ARG 41 2HG ARG 41 -5.063 -11.124 -11.108
242 2HG ARG 41 1HG ARG 41 -5.565 -9.456 -11.121
243 1HD ARG 41 2HD ARG 41 -6.719 -10.681 -13.372
244 2HD ARG 41 1HD ARG 41 -6.887 -11.798 -12.040
245 HE ARG 41 HE ARG 41 -7.938 -10.022 -10.729
246 1HH1 ARG 41 1HH2 ARG 41 -6.926 -8.103 -12.777
247 2HH1 ARG 41 2HH2 ARG 41 -8.385 -7.502 -13.515
248 1HH2 ARG 41 2HH1 ARG 41 -10.135 -10.237 -12.045
249 2HH2 ARG 41 1HH1 ARG 41 -10.396 -8.870 -13.082
250 H CYS 42 H CYS 42 -2.410 -12.452 -14.806
251 HA CYS 42 HA CYS 42 -2.958 -13.853 -16.446
252 1HB CYS 42 2HB CYS 42 -5.260 -15.092 -15.025
253 2HB CYS 42 1HB CYS 42 -3.834 -15.868 -15.649
254 H GLN 43 H GLN 43 -4.136 -11.410 -16.233
255 HA GLN 43 HA GLN 43 -6.946 -11.551 -17.145
256 1HB GLN 43 2HB GLN 43 -6.714 -9.074 -17.153
257 2HB GLN 43 1HB GLN 43 -6.186 -9.740 -15.607
258 1HG GLN 43 2HG GLN 43 -3.925 -9.781 -17.423
259 2HG GLN 43 1HG GLN 43 -4.643 -8.199 -17.525
260 1HE2 GLN 43 2HE2 GLN 43 -2.210 -9.042 -14.611
261 2HE2 GLN 43 1HE2 GLN 43 -2.402 -10.047 -15.991
262 H THR 44 H THR 44 -4.200 -12.208 -18.516
263 HA THR 44 HA THR 44 -5.036 -11.271 -21.206
264 HB THR 44 HB THR 44 -3.136 -9.919 -20.180
265 HG1 THR 44 HG1 THR 44 -2.725 -11.532 -22.439
266 1HG2 THR 44 2HG2 THR 44 -2.172 -11.753 -18.882
267 2HG2 THR 44 1HG2 THR 44 -1.533 -12.439 -20.382
268 3HG2 THR 44 3HG2 THR 44 -1.003 -10.849 -19.830
269 H ARG 45 H ARG 45 -5.244 -13.847 -19.772
270 HA ARG 45 HA ARG 45 -3.926 -16.030 -20.252
271 1HB ARG 45 2HB ARG 45 -6.414 -16.318 -21.843
272 2HB ARG 45 1HB ARG 45 -5.850 -17.178 -20.422
273 1HG ARG 45 2HG ARG 45 -6.479 -15.293 -19.018
274 2HG ARG 45 1HG ARG 45 -7.022 -14.415 -20.454
275 1HD ARG 45 2HD ARG 45 -8.204 -17.103 -19.657
276 2HD ARG 45 1HD ARG 45 -8.929 -15.552 -19.220
277 HE ARG 45 HE ARG 45 -8.943 -15.120 -21.776
278 1HH1 ARG 45 1HH2 ARG 45 -8.069 -17.326 -23.076
279 2HH1 ARG 45 2HH2 ARG 45 -9.391 -18.442 -23.190
280 1HH2 ARG 45 2HH1 ARG 45 -11.086 -16.782 -20.581
281 2HH2 ARG 45 1HH1 ARG 45 -11.239 -18.098 -21.696
282 H ASP 46 H ASP 46 -2.208 -15.801 -21.573
283 HA ASP 46 HA ASP 46 -2.581 -15.260 -24.424
284 1HB ASP 46 2HB ASP 46 -0.351 -14.842 -23.120
285 2HB ASP 46 1HB ASP 46 -0.087 -16.578 -23.253
286 H LEU 47 H LEU 47 -3.391 -17.778 -22.708
287 HA LEU 47 HA LEU 47 -4.058 -19.948 -23.136
288 1HB LEU 47 2HB LEU 47 -3.936 -18.594 -25.802
289 2HB LEU 47 1HB LEU 47 -3.652 -20.287 -26.009
290 HG LEU 47 HG LEU 47 -5.972 -19.201 -24.355
291 1HD1 LEU 47 1HD1 LEU 47 -5.886 -19.795 -27.353
292 2HD1 LEU 47 3HD1 LEU 47 -7.354 -19.494 -26.438
293 3HD1 LEU 47 2HD1 LEU 47 -6.154 -18.228 -26.600
294 1HD2 LEU 47 3HD2 LEU 47 -5.277 -21.889 -25.629
295 2HD2 LEU 47 2HD2 LEU 47 -5.693 -21.559 -23.953
296 3HD2 LEU 47 1HD2 LEU 47 -6.923 -21.492 -25.193
297 H ARG 48 HN ARG 48 -2.805 -21.639 -25.189
298 HA ARG 48 HA ARG 48 -1.155 -23.322 -24.896
299 1HB ARG 48 2HB ARG 48 0.738 -21.039 -25.538
300 2HB ARG 48 1HB ARG 48 0.675 -22.637 -26.240
301 1HG ARG 48 2HG ARG 48 -0.519 -21.770 -27.993
302 2HG ARG 48 1HG ARG 48 -1.836 -21.426 -26.929
303 1HD ARG 48 2HD ARG 48 -1.448 -19.223 -27.560
304 2HD ARG 48 1HD ARG 48 -0.285 -19.259 -26.271
305 HE ARG 48 HE ARG 48 0.799 -18.452 -28.349
306 1HH1 ARG 48 1HH2 ARG 48 2.291 -20.731 -27.343
307 2HH1 ARG 48 2HH2 ARG 48 2.622 -21.685 -28.751
308 1HH2 ARG 48 1HH1 ARG 48 0.061 -19.943 -30.492
309 2HH2 ARG 48 2HH1 ARG 48 1.242 -21.188 -30.715
No H/Q in entry = 309
Start of MODEL 5
1 1H PRO 4 1H PRO 4 0.026 0.715 -2.663
2 2H PRO 4 2H PRO 4 0.361 2.205 -3.398
3 HA PRO 4 HA PRO 4 2.000 1.237 -4.517
4 1HB PRO 4 2HB PRO 4 3.961 0.436 -2.780
5 2HB PRO 4 1HB PRO 4 3.599 2.137 -3.062
6 1HG PRO 4 2HG PRO 4 2.565 0.379 -0.801
7 2HG PRO 4 1HG PRO 4 3.242 2.003 -0.708
8 1HD PRO 4 2HD PRO 4 0.551 1.632 -0.732
9 2HD PRO 4 1HD PRO 4 1.281 3.026 -1.538
10 H GLY 5 H GLY 5 0.788 -0.692 -1.902
11 1HA GLY 5 2HA GLY 5 1.343 -3.156 -3.487
12 2HA GLY 5 1HA GLY 5 1.385 -3.133 -1.721
13 1HN ABA 6 HN ABA 6 -0.194 -4.945 -3.167
14 HA ABA 6 HA ABA 6 -2.911 -4.001 -2.468
15 1HB ABA 6 1HB ABA 6 -3.142 -5.790 -4.666
16 2HB ABA 6 2HB ABA 6 -1.770 -4.806 -5.052
17 1HG ABA 6 1HG ABA 6 -3.776 -3.717 -5.918
18 2HG ABA 6 2HG ABA 6 -3.140 -2.740 -4.601
19 3HG ABA 6 3HG ABA 6 -4.542 -3.771 -4.338
20 HA PRO 7 HA PRO 7 -2.435 -8.467 -0.969
21 1HB PRO 7 2HB PRO 7 -1.761 -8.025 1.750
22 2HB PRO 7 1HB PRO 7 -0.690 -8.665 0.508
23 1HG PRO 7 2HG PRO 7 -0.557 -6.040 1.765
24 2HG PRO 7 1HG PRO 7 0.530 -6.729 0.580
25 1HD PRO 7 2HD PRO 7 -1.575 -4.708 0.112
26 2HD PRO 7 1HD PRO 7 -0.305 -5.287 -0.975
27 H SER 8 H SER 8 -3.348 -5.734 0.869
28 HA SER 8 HA SER 8 -5.157 -6.214 2.684
29 1HB SER 8 2HB SER 8 -5.081 -4.185 0.567
30 2HB SER 8 1HB SER 8 -6.751 -4.556 0.994
31 HG SER 8 HG SER 8 -4.999 -3.173 2.433
32 H SER 9 H SER 9 -6.250 -6.650 -0.684
33 HA SER 9 HA SER 9 -8.160 -8.637 0.291
34 1HB SER 9 2HB SER 9 -9.172 -6.800 -1.870
35 2HB SER 9 1HB SER 9 -10.002 -7.422 -0.440
36 HG SER 9 HG SER 9 -9.525 -5.639 0.550
37 H TYR 10 H TYR 10 -7.966 -10.417 -0.853
38 HA TYR 10 HA TYR 10 -6.733 -10.330 -3.493
39 1HB TYR 10 2HB TYR 10 -6.361 -12.915 -2.854
40 2HB TYR 10 1HB TYR 10 -5.285 -11.693 -2.232
41 HD1 TYR 10 HD2 TYR 10 -5.331 -10.963 0.103
42 HD2 TYR 10 HD1 TYR 10 -8.014 -13.959 -1.309
43 HE1 TYR 10 HE2 TYR 10 -5.858 -11.598 2.415
44 HE2 TYR 10 HE1 TYR 10 -8.530 -14.582 1.003
45 HH TYR 10 HH TYR 10 -6.834 -14.112 3.448
46 H ASP 11 H ASP 11 -9.557 -10.400 -2.233
47 HA ASP 11 HA ASP 11 -11.042 -12.572 -3.243
48 1HB ASP 11 2HB ASP 11 -12.119 -9.712 -3.207
49 2HB ASP 11 1HB ASP 11 -13.001 -11.184 -2.845
50 H GLY 12 H GLY 12 -11.556 -13.123 -5.303
51 1HA GLY 12 2HA GLY 12 -11.235 -13.146 -7.685
52 2HA GLY 12 1HA GLY 12 -12.310 -11.760 -7.552
53 H TYR 13 H TYR 13 -9.025 -12.208 -6.562
54 HA TYR 13 HA TYR 13 -8.112 -9.747 -7.960
55 1HB TYR 13 2HB TYR 13 -7.633 -10.225 -5.539
56 2HB TYR 13 1HB TYR 13 -6.725 -11.667 -5.988
57 HD1 TYR 13 HD1 TYR 13 -4.661 -11.337 -7.526
58 HD2 TYR 13 HD2 TYR 13 -6.557 -8.142 -5.436
59 HE1 TYR 13 HE1 TYR 13 -2.631 -10.017 -7.715
60 HE2 TYR 13 HE2 TYR 13 -4.520 -6.829 -5.625
61 HH TYR 13 HH TYR 13 -1.614 -8.029 -6.203
62 H CYS 14 H CYS 14 -7.956 -13.119 -8.408
63 HA CYS 14 HA CYS 14 -5.902 -12.723 -10.547
64 1HB CYS 14 2HB CYS 14 -6.614 -15.319 -9.150
65 2HB CYS 14 1HB CYS 14 -5.209 -14.978 -10.139
66 H LEU 15 H LEU 15 -6.421 -13.829 -12.533
67 HA LEU 15 HA LEU 15 -9.347 -14.165 -12.946
68 1HB LEU 15 2HB LEU 15 -7.208 -12.973 -14.521
69 2HB LEU 15 1HB LEU 15 -7.912 -14.257 -15.444
70 HG LEU 15 HG LEU 15 -10.218 -13.101 -14.827
71 1HD1 LEU 15 1HD1 LEU 15 -9.048 -11.528 -13.176
72 2HD1 LEU 15 3HD1 LEU 15 -8.252 -10.775 -14.540
73 3HD1 LEU 15 2HD1 LEU 15 -9.994 -10.704 -14.409
74 1HD2 LEU 15 3HD2 LEU 15 -8.573 -13.015 -17.083
75 2HD2 LEU 15 2HD2 LEU 15 -10.141 -12.249 -16.996
76 3HD2 LEU 15 1HD2 LEU 15 -8.696 -11.316 -16.689
77 H ASN 16 H ASN 16 -6.426 -15.882 -13.461
78 HA ASN 16 HA ASN 16 -7.969 -18.363 -13.834
79 1HB ASN 16 2HB ASN 16 -6.110 -17.263 -15.944
80 2HB ASN 16 1HB ASN 16 -6.480 -18.993 -15.842
81 1HD2 ASN 16 2HD2 ASN 16 -9.273 -16.559 -17.285
82 2HD2 ASN 16 1HD2 ASN 16 -7.743 -15.934 -16.865
83 H GLY 17 H GLY 17 -4.423 -18.218 -14.562
84 1HA GLY 17 2HA GLY 17 -3.900 -20.711 -13.339
85 2HA GLY 17 1HA GLY 17 -2.681 -19.492 -13.644
86 H GLY 18 H GLY 18 -4.071 -17.584 -12.270
87 1HA GLY 18 2HA GLY 18 -3.370 -16.515 -10.251
88 2HA GLY 18 1HA GLY 18 -4.970 -17.140 -10.001
89 H VAL 19 H VAL 19 -1.592 -18.072 -9.505
90 HA VAL 19 HA VAL 19 -2.442 -19.445 -7.041
91 HB VAL 19 HB VAL 19 -0.093 -19.535 -9.001
92 1HG1 VAL 19 1HG1 VAL 19 0.238 -20.084 -6.057
93 2HG1 VAL 19 3HG1 VAL 19 1.286 -20.826 -7.267
94 3HG1 VAL 19 2HG1 VAL 19 1.228 -19.079 -7.103
95 1HG2 VAL 19 3HG2 VAL 19 -1.495 -21.733 -7.464
96 2HG2 VAL 19 2HG2 VAL 19 -1.814 -21.245 -9.125
97 3HG2 VAL 19 1HG2 VAL 19 -0.273 -21.970 -8.706
98 1HN ABA 20 HN ABA 20 -2.902 -17.882 -5.883
99 HA ABA 20 HA ABA 20 -1.827 -15.290 -5.741
100 1HB ABA 20 1HB ABA 20 -3.440 -17.042 -3.868
101 2HB ABA 20 2HB ABA 20 -3.999 -15.885 -5.019
102 1HG ABA 20 1HG ABA 20 -3.477 -15.535 -2.212
103 2HG ABA 20 2HG ABA 20 -3.876 -14.245 -3.317
104 3HG ABA 20 3HG ABA 20 -2.195 -14.644 -2.975
105 H MET 21 H MET 21 0.324 -15.133 -5.541
106 HA MET 21 HA MET 21 1.563 -16.222 -3.052
107 1HB MET 21 2HB MET 21 3.738 -16.219 -4.340
108 2HB MET 21 1HB MET 21 2.567 -17.365 -4.944
109 1HG MET 21 2HG MET 21 2.068 -16.015 -6.845
110 2HG MET 21 1HG MET 21 2.892 -14.623 -6.189
111 1HE MET 21 3HE MET 21 3.336 -14.490 -8.583
112 2HE MET 21 2HE MET 21 5.069 -14.600 -8.895
113 3HE MET 21 1HE MET 21 3.999 -15.827 -9.514
114 H HIS 22 H HIS 22 2.080 -14.697 -1.676
115 HA HIS 22 HA HIS 22 1.859 -11.960 -2.366
116 1HB HIS 22 2HB HIS 22 1.670 -12.891 -0.088
117 2HB HIS 22 1HB HIS 22 3.435 -13.133 -0.093
118 HD1 HIS 22 HD1 HIS 22 2.991 -10.060 -1.766
119 HD2 HIS 22 HD2 HIS 22 2.715 -11.265 2.206
120 HE1 HIS 22 HE1 HIS 22 3.252 -8.097 -0.315
121 H ILE 23 H ILE 23 3.341 -10.865 -3.673
122 HA ILE 23 HA ILE 23 6.007 -12.015 -3.993
123 HB ILE 23 HB ILE 23 4.095 -11.280 -5.816
124 1HG1 ILE 23 2HG1 ILE 23 6.333 -10.943 -7.270
125 2HG1 ILE 23 1HG1 ILE 23 7.037 -11.720 -5.883
126 1HG2 ILE 23 2HG2 ILE 23 4.628 -8.825 -5.025
127 2HG2 ILE 23 1HG2 ILE 23 6.011 -8.963 -6.070
128 3HG2 ILE 23 3HG2 ILE 23 4.385 -9.129 -6.730
129 1HD1 ILE 23 2HD1 ILE 23 4.992 -13.426 -6.203
130 2HD1 ILE 23 1HD1 ILE 23 5.001 -12.767 -7.829
131 3HD1 ILE 23 3HD1 ILE 23 6.421 -13.582 -7.209
132 H GLU 24 H GLU 24 4.955 -10.294 -1.825
133 HA GLU 24 HA GLU 24 5.548 -7.698 -1.637
134 1HB GLU 24 2HB GLU 24 5.545 -9.733 0.364
135 2HB GLU 24 1HB GLU 24 7.195 -9.186 0.444
136 1HG GLU 24 2HG GLU 24 4.737 -7.426 0.919
137 2HG GLU 24 1HG GLU 24 5.962 -7.888 2.071
138 H SER 25 H SER 25 7.813 -10.114 -1.591
139 HA SER 25 HA SER 25 10.283 -9.297 -1.392
140 1HB SER 25 2HB SER 25 9.531 -10.796 -3.926
141 2HB SER 25 1HB SER 25 10.825 -11.210 -2.789
142 HG SER 25 HG SER 25 9.332 -12.395 -1.823
143 H LEU 26 H LEU 26 8.543 -8.788 -4.199
144 HA LEU 26 HA LEU 26 10.448 -6.744 -5.211
145 1HB LEU 26 2HB LEU 26 8.617 -7.311 -7.307
146 2HB LEU 26 1HB LEU 26 10.320 -7.703 -7.263
147 HG LEU 26 HG LEU 26 8.227 -9.349 -5.947
148 1HD1 LEU 26 2HD1 LEU 26 9.168 -9.438 -8.873
149 2HD1 LEU 26 1HD1 LEU 26 8.357 -10.800 -8.131
150 3HD1 LEU 26 3HD1 LEU 26 7.522 -9.267 -8.288
151 1HD2 LEU 26 2HD2 LEU 26 10.785 -9.753 -5.521
152 2HD2 LEU 26 1HD2 LEU 26 9.921 -11.169 -6.108
153 3HD2 LEU 26 3HD2 LEU 26 10.909 -10.222 -7.201
154 H ASP 27 H ASP 27 7.088 -7.454 -4.559
155 HA ASP 27 HA ASP 27 6.618 -4.550 -4.617
156 1HB ASP 27 2HB ASP 27 5.239 -6.490 -6.512
157 2HB ASP 27 1HB ASP 27 4.448 -4.991 -6.060
158 H SER 28 H SER 28 4.224 -7.065 -4.765
159 HA SER 28 HA SER 28 3.501 -6.746 -1.904
160 1HB SER 28 2HB SER 28 1.742 -5.336 -2.091
161 2HB SER 28 1HB SER 28 2.679 -4.723 -3.443
162 HG SER 28 HG SER 28 1.204 -5.452 -4.788
163 H TYR 29 H TYR 29 0.753 -7.458 -3.001
164 HA TYR 29 HA TYR 29 1.386 -10.401 -3.145
165 1HB TYR 29 2HB TYR 29 -0.332 -10.366 -1.501
166 2HB TYR 29 1HB TYR 29 -0.957 -8.838 -2.129
167 HD1 TYR 29 HD2 TYR 29 -0.492 -12.320 -3.482
168 HD2 TYR 29 HD1 TYR 29 -3.199 -9.060 -2.988
169 HE1 TYR 29 HE2 TYR 29 -2.179 -13.499 -4.744
170 HE2 TYR 29 HE1 TYR 29 -4.867 -10.290 -4.234
171 HH TYR 29 HH TYR 29 -4.158 -13.203 -5.984
172 H THR 30 H THR 30 0.963 -11.659 -4.746
173 HA THR 30 HA THR 30 -0.630 -10.586 -6.921
174 HB THR 30 HB THR 30 1.995 -9.955 -6.700
175 HG1 THR 30 HG1 THR 30 0.811 -9.141 -8.355
176 1HG2 THR 30 3HG2 THR 30 2.645 -12.444 -7.066
177 2HG2 THR 30 2HG2 THR 30 2.034 -12.254 -8.711
178 3HG2 THR 30 1HG2 THR 30 3.360 -11.249 -8.152
179 H CYS 31 H CYS 31 -0.200 -12.322 -8.799
180 HA CYS 31 HA CYS 31 -0.551 -14.984 -7.491
181 1HB CYS 31 2HB CYS 31 -2.420 -13.423 -9.062
182 2HB CYS 31 1HB CYS 31 -2.016 -14.860 -9.947
183 H ASN 32 H ASN 32 0.015 -16.722 -8.814
184 HA ASN 32 HA ASN 32 2.098 -16.107 -10.885
185 1HB ASN 32 2HB ASN 32 2.622 -17.536 -8.636
186 2HB ASN 32 1HB ASN 32 1.737 -18.807 -9.456
187 1HD2 ASN 32 2HD2 ASN 32 4.936 -19.667 -10.710
188 2HD2 ASN 32 1HD2 ASN 32 3.750 -20.060 -9.558
189 H CYS 33 H CYS 33 1.065 -16.366 -12.796
190 HA CYS 33 HA CYS 33 -1.448 -17.908 -12.888
191 1HB CYS 33 2HB CYS 33 -0.254 -15.991 -14.975
192 2HB CYS 33 1HB CYS 33 -1.821 -16.684 -14.963
193 H VAL 34 H VAL 34 -0.438 -17.865 -15.976
194 HA VAL 34 HA VAL 34 1.152 -20.319 -15.647
195 HB VAL 34 HB VAL 34 -1.208 -21.024 -15.809
196 1HG1 VAL 34 1HG1 VAL 34 -1.986 -19.030 -17.024
197 2HG1 VAL 34 3HG1 VAL 34 -1.591 -19.877 -18.522
198 3HG1 VAL 34 2HG1 VAL 34 -2.716 -20.574 -17.377
199 1HG2 VAL 34 1HG2 VAL 34 0.521 -22.452 -16.984
200 2HG2 VAL 34 3HG2 VAL 34 -1.125 -22.632 -17.556
201 3HG2 VAL 34 2HG2 VAL 34 0.010 -21.705 -18.502
202 H ILE 35 H ILE 35 2.071 -21.026 -17.461
203 HA ILE 35 HA ILE 35 3.645 -19.126 -18.811
204 HB ILE 35 HB ILE 35 4.363 -21.386 -18.909
205 1HG1 ILE 35 2HG1 ILE 35 3.279 -21.305 -21.721
206 2HG1 ILE 35 1HG1 ILE 35 4.309 -19.987 -21.209
207 1HG2 ILE 35 3HG2 ILE 35 1.591 -22.086 -19.960
208 2HG2 ILE 35 2HG2 ILE 35 2.934 -23.211 -20.020
209 3HG2 ILE 35 1HG2 ILE 35 2.358 -22.652 -18.476
210 1HD1 ILE 35 3HD1 ILE 35 5.100 -22.923 -21.051
211 2HD1 ILE 35 2HD1 ILE 35 5.664 -21.767 -22.246
212 3HD1 ILE 35 1HD1 ILE 35 6.106 -21.569 -20.562
213 H GLY 36 H GLY 36 0.460 -20.116 -19.354
214 1HA GLY 36 2HA GLY 36 0.233 -18.764 -21.966
215 2HA GLY 36 1HA GLY 36 -0.995 -19.776 -21.252
216 H TYR 37 H TYR 37 -0.641 -18.064 -18.694
217 HA TYR 37 HA TYR 37 -2.163 -15.620 -19.474
218 1HB TYR 37 2HB TYR 37 -2.636 -17.090 -16.884
219 2HB TYR 37 1HB TYR 37 -3.702 -15.974 -17.697
220 HD1 TYR 37 HD1 TYR 37 -3.430 -17.529 -20.488
221 HD2 TYR 37 HD2 TYR 37 -4.412 -18.760 -16.558
222 HE1 TYR 37 HE1 TYR 37 -4.735 -19.336 -21.400
223 HE2 TYR 37 HE2 TYR 37 -5.744 -20.597 -17.503
224 HH TYR 37 HH TYR 37 -6.136 -21.793 -19.473
225 H SER 38 H SER 38 -1.227 -13.806 -18.921
226 HA SER 38 HA SER 38 0.522 -13.963 -16.526
227 1HB SER 38 2HB SER 38 1.989 -14.381 -18.479
228 2HB SER 38 1HB SER 38 1.404 -12.916 -19.280
229 HG SER 38 HG SER 38 3.266 -13.151 -17.296
230 H GLY 39 H GLY 39 1.400 -11.231 -17.723
231 1HA GLY 39 2HA GLY 39 0.856 -8.971 -17.472
232 2HA GLY 39 1HA GLY 39 -0.842 -9.425 -17.494
233 H ASP 40 H ASP 40 0.355 -11.282 -15.151
234 HA ASP 40 HA ASP 40 0.958 -10.940 -12.834
235 1HB ASP 40 2HB ASP 40 1.095 -8.377 -13.309
236 2HB ASP 40 1HB ASP 40 -0.600 -8.356 -12.866
237 H ARG 41 H ARG 41 -2.026 -10.824 -14.392
238 HA ARG 41 HA ARG 41 -3.388 -11.772 -11.956
239 1HB ARG 41 2HB ARG 41 -3.730 -9.242 -12.950
240 2HB ARG 41 1HB ARG 41 -4.897 -10.071 -13.930
241 1HG ARG 41 2HG ARG 41 -4.929 -10.706 -11.053
242 2HG ARG 41 1HG ARG 41 -5.358 -9.068 -11.504
243 1HD ARG 41 2HD ARG 41 -6.674 -10.868 -13.272
244 2HD ARG 41 1HD ARG 41 -7.051 -11.272 -11.605
245 HE ARG 41 HE ARG 41 -7.330 -8.455 -12.536
246 1HH1 ARG 41 1HH2 ARG 41 -7.677 -9.454 -9.866
247 2HH1 ARG 41 2HH2 ARG 41 -9.411 -9.495 -9.647
248 1HH2 ARG 41 2HH1 ARG 41 -9.798 -9.312 -13.157
249 2HH2 ARG 41 1HH1 ARG 41 -10.693 -9.435 -11.671
250 H CYS 42 H CYS 42 -2.385 -12.570 -14.856
251 HA CYS 42 HA CYS 42 -2.890 -14.132 -16.329
252 1HB CYS 42 2HB CYS 42 -5.277 -15.288 -14.926
253 2HB CYS 42 1HB CYS 42 -3.849 -16.112 -15.470
254 H GLN 43 H GLN 43 -4.022 -11.669 -16.249
255 HA GLN 43 HA GLN 43 -6.809 -11.910 -17.160
256 1HB GLN 43 2HB GLN 43 -6.740 -9.427 -17.118
257 2HB GLN 43 1HB GLN 43 -6.076 -10.034 -15.624
258 1HG GLN 43 2HG GLN 43 -3.935 -9.819 -17.572
259 2HG GLN 43 1HG GLN 43 -4.863 -8.325 -17.540
260 1HE2 GLN 43 2HE2 GLN 43 -2.135 -8.966 -14.794
261 2HE2 GLN 43 1HE2 GLN 43 -2.360 -10.057 -16.099
262 H THR 44 H THR 44 -3.651 -11.826 -18.328
263 HA THR 44 HA THR 44 -4.607 -11.381 -21.150
264 HB THR 44 HB THR 44 -2.689 -9.930 -20.792
265 HG1 THR 44 HG1 THR 44 -1.916 -12.426 -21.894
266 1HG2 THR 44 3HG2 THR 44 -1.841 -11.167 -18.716
267 2HG2 THR 44 2HG2 THR 44 -0.952 -12.180 -19.863
268 3HG2 THR 44 1HG2 THR 44 -0.667 -10.453 -19.807
269 H ARG 45 H ARG 45 -5.597 -13.388 -20.962
270 HA ARG 45 HA ARG 45 -4.050 -15.734 -20.338
271 1HB ARG 45 2HB ARG 45 -6.646 -15.635 -21.932
272 2HB ARG 45 1HB ARG 45 -6.071 -16.862 -20.853
273 1HG ARG 45 2HG ARG 45 -6.386 -15.512 -18.903
274 2HG ARG 45 1HG ARG 45 -6.772 -14.082 -19.837
275 1HD ARG 45 2HD ARG 45 -8.470 -16.596 -19.881
276 2HD ARG 45 1HD ARG 45 -8.868 -15.085 -19.056
277 HE ARG 45 HE ARG 45 -8.373 -15.055 -22.001
278 1HH1 ARG 45 1HH2 ARG 45 -9.186 -12.606 -20.731
279 2HH1 ARG 45 2HH2 ARG 45 -10.906 -12.569 -20.914
280 1HH2 ARG 45 2HH1 ARG 45 -10.944 -16.019 -21.642
281 2HH2 ARG 45 1HH1 ARG 45 -11.976 -14.636 -21.482
282 H ASP 46 H ASP 46 -2.326 -15.427 -21.639
283 HA ASP 46 HA ASP 46 -2.598 -14.588 -24.317
284 1HB ASP 46 2HB ASP 46 -0.341 -14.483 -23.258
285 2HB ASP 46 1HB ASP 46 -0.318 -16.219 -23.010
286 H LEU 47 H LEU 47 -2.908 -17.494 -22.753
287 HA LEU 47 HA LEU 47 -4.061 -19.434 -23.219
288 1HB LEU 47 2HB LEU 47 -4.356 -18.094 -25.818
289 2HB LEU 47 1HB LEU 47 -3.904 -19.743 -26.148
290 HG LEU 47 HG LEU 47 -6.036 -19.172 -24.067
291 1HD1 LEU 47 3HD1 LEU 47 -6.636 -17.784 -26.013
292 2HD1 LEU 47 2HD1 LEU 47 -6.497 -19.179 -27.070
293 3HD1 LEU 47 1HD1 LEU 47 -7.743 -19.131 -25.828
294 1HD2 LEU 47 2HD2 LEU 47 -5.599 -21.409 -26.107
295 2HD2 LEU 47 1HD2 LEU 47 -5.289 -21.516 -24.377
296 3HD2 LEU 47 3HD2 LEU 47 -6.923 -21.325 -24.966
297 H ARG 48 HN ARG 48 -3.162 -21.351 -25.301
298 HA ARG 48 HA ARG 48 -1.457 -22.978 -25.406
299 1HB ARG 48 2HB ARG 48 0.426 -20.562 -25.331
300 2HB ARG 48 1HB ARG 48 0.735 -22.102 -26.084
301 1HG ARG 48 2HG ARG 48 0.154 -20.930 -27.987
302 2HG ARG 48 1HG ARG 48 -1.447 -21.477 -27.540
303 1HD ARG 48 2HD ARG 48 -2.059 -19.315 -26.709
304 2HD ARG 48 1HD ARG 48 -0.400 -18.864 -26.408
305 HE ARG 48 HE ARG 48 -1.388 -19.157 -29.219
306 1HH1 ARG 48 1HH1 ARG 48 0.931 -18.191 -29.824
307 2HH1 ARG 48 2HH1 ARG 48 1.043 -16.527 -29.378
308 1HH2 ARG 48 1HH2 ARG 48 -1.729 -16.809 -27.214
309 2HH2 ARG 48 2HH2 ARG 48 -0.564 -15.680 -27.804
No H/Q in entry = 309
Start of MODEL 6
1 1H PRO 4 1H PRO 4 2.776 0.448 -1.434
2 2H PRO 4 2H PRO 4 1.741 1.699 -0.921
3 HA PRO 4 HA PRO 4 0.372 1.294 -2.595
4 1HB PRO 4 2HB PRO 4 1.902 1.358 -4.983
5 2HB PRO 4 1HB PRO 4 1.159 2.756 -4.210
6 1HG PRO 4 2HG PRO 4 3.999 1.827 -4.104
7 2HG PRO 4 1HG PRO 4 3.363 3.465 -3.977
8 1HD PRO 4 2HD PRO 4 4.271 2.036 -1.808
9 2HD PRO 4 1HD PRO 4 3.038 3.293 -1.681
10 H GLY 5 H GLY 5 0.526 -0.836 -1.513
11 1HA GLY 5 2HA GLY 5 1.329 -3.001 -3.418
12 2HA GLY 5 1HA GLY 5 1.400 -3.190 -1.652
13 1HN ABA 6 HN ABA 6 -0.180 -4.981 -3.111
14 HA ABA 6 HA ABA 6 -2.914 -4.077 -2.374
15 1HB ABA 6 1HB ABA 6 -2.900 -5.903 -4.664
16 2HB ABA 6 2HB ABA 6 -1.872 -4.536 -4.981
17 1HG ABA 6 1HG ABA 6 -4.017 -3.832 -5.732
18 2HG ABA 6 2HG ABA 6 -3.824 -3.043 -4.180
19 3HG ABA 6 3HG ABA 6 -4.826 -4.481 -4.312
20 HA PRO 7 HA PRO 7 -2.364 -8.578 -0.886
21 1HB PRO 7 2HB PRO 7 -2.097 -7.691 1.904
22 2HB PRO 7 1HB PRO 7 -1.029 -8.757 0.990
23 1HG PRO 7 2HG PRO 7 -0.326 -6.165 1.744
24 2HG PRO 7 1HG PRO 7 0.405 -7.042 0.411
25 1HD PRO 7 2HD PRO 7 -1.661 -4.846 0.287
26 2HD PRO 7 1HD PRO 7 -0.377 -5.273 -0.846
27 H SER 8 H SER 8 -3.462 -5.843 0.748
28 HA SER 8 HA SER 8 -5.474 -6.066 2.277
29 1HB SER 8 2HB SER 8 -5.904 -4.328 -0.159
30 2HB SER 8 1HB SER 8 -6.113 -3.916 1.555
31 HG SER 8 HG SER 8 -4.111 -3.240 1.351
32 H SER 9 H SER 9 -6.183 -6.445 -1.147
33 HA SER 9 HA SER 9 -8.696 -7.808 -0.447
34 1HB SER 9 2HB SER 9 -9.557 -6.668 -2.652
35 2HB SER 9 1HB SER 9 -9.262 -5.557 -1.299
36 HG SER 9 HG SER 9 -7.328 -6.357 -3.221
37 H TYR 10 H TYR 10 -8.341 -9.953 -0.984
38 HA TYR 10 HA TYR 10 -6.993 -10.419 -3.520
39 1HB TYR 10 2HB TYR 10 -6.401 -12.632 -2.492
40 2HB TYR 10 1HB TYR 10 -5.641 -11.223 -1.818
41 HD1 TYR 10 HD1 TYR 10 -6.273 -10.304 0.365
42 HD2 TYR 10 HD2 TYR 10 -7.985 -13.948 -1.031
43 HE1 TYR 10 HE1 TYR 10 -7.014 -10.831 2.641
44 HE2 TYR 10 HE2 TYR 10 -8.717 -14.465 1.253
45 HH TYR 10 HH TYR 10 -7.787 -13.720 3.706
46 H ASP 11 H ASP 11 -10.047 -10.474 -2.359
47 HA ASP 11 HA ASP 11 -10.881 -12.991 -3.512
48 1HB ASP 11 2HB ASP 11 -11.958 -11.888 -1.464
49 2HB ASP 11 1HB ASP 11 -12.724 -10.780 -2.613
50 H GLY 12 H GLY 12 -10.345 -12.775 -5.521
51 1HA GLY 12 2HA GLY 12 -11.372 -12.595 -7.801
52 2HA GLY 12 1HA GLY 12 -12.002 -11.009 -7.322
53 H TYR 13 H TYR 13 -8.884 -12.103 -6.410
54 HA TYR 13 HA TYR 13 -7.622 -9.874 -7.830
55 1HB TYR 13 2HB TYR 13 -7.347 -10.452 -5.425
56 2HB TYR 13 1HB TYR 13 -6.392 -11.861 -5.889
57 HD1 TYR 13 HD1 TYR 13 -4.296 -11.425 -7.322
58 HD2 TYR 13 HD2 TYR 13 -6.424 -8.313 -5.359
59 HE1 TYR 13 HE1 TYR 13 -2.374 -9.991 -7.538
60 HE2 TYR 13 HE2 TYR 13 -4.494 -6.869 -5.545
61 HH TYR 13 HH TYR 13 -1.477 -7.941 -6.131
62 H CYS 14 H CYS 14 -8.063 -13.133 -8.429
63 HA CYS 14 HA CYS 14 -5.837 -13.159 -10.416
64 1HB CYS 14 2HB CYS 14 -6.893 -15.443 -8.739
65 2HB CYS 14 1HB CYS 14 -5.616 -15.488 -9.878
66 H LEU 15 H LEU 15 -6.421 -14.203 -12.421
67 HA LEU 15 HA LEU 15 -9.381 -14.353 -12.819
68 1HB LEU 15 2HB LEU 15 -7.164 -13.310 -14.449
69 2HB LEU 15 1HB LEU 15 -8.128 -14.419 -15.355
70 HG LEU 15 HG LEU 15 -10.171 -12.966 -14.410
71 1HD1 LEU 15 1HD1 LEU 15 -8.647 -11.557 -12.992
72 2HD1 LEU 15 3HD1 LEU 15 -7.813 -11.027 -14.446
73 3HD1 LEU 15 2HD1 LEU 15 -9.480 -10.584 -14.183
74 1HD2 LEU 15 2HD2 LEU 15 -8.616 -12.999 -16.878
75 2HD2 LEU 15 1HD2 LEU 15 -10.278 -12.512 -16.669
76 3HD2 LEU 15 3HD2 LEU 15 -9.001 -11.335 -16.513
77 H ASN 16 H ASN 16 -6.553 -16.187 -13.494
78 HA ASN 16 HA ASN 16 -8.212 -18.591 -13.852
79 1HB ASN 16 2HB ASN 16 -6.262 -17.771 -16.025
80 2HB ASN 16 1HB ASN 16 -7.187 -19.266 -15.997
81 1HD2 ASN 16 2HD2 ASN 16 -8.978 -15.843 -17.105
82 2HD2 ASN 16 1HD2 ASN 16 -7.367 -15.800 -16.557
83 H GLY 17 H GLY 17 -4.646 -18.121 -14.465
84 1HA GLY 17 2HA GLY 17 -4.172 -20.710 -13.120
85 2HA GLY 17 1HA GLY 17 -3.069 -19.866 -14.171
86 H GLY 18 H GLY 18 -4.776 -17.980 -12.082
87 1HA GLY 18 2HA GLY 18 -2.595 -16.754 -10.832
88 2HA GLY 18 1HA GLY 18 -4.260 -16.550 -10.427
89 H VAL 19 H VAL 19 -1.429 -18.051 -9.782
90 HA VAL 19 HA VAL 19 -2.450 -19.487 -7.424
91 HB VAL 19 HB VAL 19 0.021 -19.525 -9.193
92 1HG1 VAL 19 2HG1 VAL 19 0.301 -19.917 -6.196
93 2HG1 VAL 19 1HG1 VAL 19 1.427 -20.643 -7.340
94 3HG1 VAL 19 3HG1 VAL 19 1.266 -18.904 -7.249
95 1HG2 VAL 19 3HG2 VAL 19 -1.327 -21.690 -7.562
96 2HG2 VAL 19 2HG2 VAL 19 -1.567 -21.348 -9.275
97 3HG2 VAL 19 1HG2 VAL 19 -0.017 -21.944 -8.712
98 1HN ABA 20 HN ABA 20 -2.967 -18.109 -6.028
99 HA ABA 20 HA ABA 20 -1.866 -15.520 -5.671
100 1HB ABA 20 1HB ABA 20 -3.320 -17.316 -3.672
101 2HB ABA 20 2HB ABA 20 -4.074 -16.316 -4.876
102 1HG ABA 20 1HG ABA 20 -3.812 -14.433 -3.415
103 2HG ABA 20 2HG ABA 20 -2.122 -14.824 -3.111
104 3HG ABA 20 3HG ABA 20 -3.368 -15.590 -2.187
105 H MET 21 H MET 21 0.147 -15.139 -5.181
106 HA MET 21 HA MET 21 1.498 -16.635 -3.004
107 1HB MET 21 2HB MET 21 3.616 -16.561 -4.358
108 2HB MET 21 1HB MET 21 2.407 -17.515 -5.191
109 1HG MET 21 2HG MET 21 1.903 -15.758 -6.709
110 2HG MET 21 1HG MET 21 2.853 -14.592 -5.837
111 1HE MET 21 3HE MET 21 5.623 -15.747 -5.336
112 2HE MET 21 2HE MET 21 5.211 -17.430 -5.702
113 3HE MET 21 1HE MET 21 6.412 -16.589 -6.668
114 H HIS 22 H HIS 22 3.228 -15.062 -2.109
115 HA HIS 22 HA HIS 22 2.177 -12.293 -2.520
116 1HB HIS 22 2HB HIS 22 2.179 -13.296 -0.241
117 2HB HIS 22 1HB HIS 22 3.953 -13.343 -0.329
118 HD1 HIS 22 HD1 HIS 22 3.249 -10.245 -1.890
119 HD2 HIS 22 HD2 HIS 22 3.002 -11.644 2.027
120 HE1 HIS 22 HE1 HIS 22 3.310 -8.348 -0.363
121 H ILE 23 H ILE 23 3.528 -10.913 -3.675
122 HA ILE 23 HA ILE 23 6.217 -11.914 -4.183
123 HB ILE 23 HB ILE 23 4.162 -11.171 -5.877
124 1HG1 ILE 23 2HG1 ILE 23 6.172 -10.938 -7.513
125 2HG1 ILE 23 1HG1 ILE 23 7.137 -11.444 -6.150
126 1HG2 ILE 23 2HG2 ILE 23 4.753 -8.744 -5.068
127 2HG2 ILE 23 1HG2 ILE 23 6.100 -8.880 -6.156
128 3HG2 ILE 23 3HG2 ILE 23 4.452 -8.996 -6.770
129 1HD1 ILE 23 1HD1 ILE 23 5.352 -13.399 -5.945
130 2HD1 ILE 23 3HD1 ILE 23 4.954 -12.972 -7.598
131 3HD1 ILE 23 2HD1 ILE 23 6.569 -13.513 -7.203
132 H GLU 24 H GLU 24 5.156 -10.375 -1.881
133 HA GLU 24 HA GLU 24 5.642 -7.732 -1.644
134 1HB GLU 24 2HB GLU 24 5.718 -9.831 0.299
135 2HB GLU 24 1HB GLU 24 7.337 -9.195 0.401
136 1HG GLU 24 2HG GLU 24 4.769 -7.612 0.918
137 2HG GLU 24 1HG GLU 24 6.035 -8.003 2.050
138 H SER 25 H SER 25 7.956 -10.095 -1.692
139 HA SER 25 HA SER 25 10.416 -9.261 -1.474
140 1HB SER 25 2HB SER 25 9.644 -10.710 -4.029
141 2HB SER 25 1HB SER 25 10.953 -11.135 -2.913
142 HG SER 25 HG SER 25 9.478 -12.344 -1.942
143 H LEU 26 H LEU 26 8.635 -8.702 -4.243
144 HA LEU 26 HA LEU 26 10.523 -6.643 -5.255
145 1HB LEU 26 2HB LEU 26 8.662 -7.189 -7.327
146 2HB LEU 26 1HB LEU 26 10.365 -7.566 -7.317
147 HG LEU 26 HG LEU 26 8.318 -9.264 -5.977
148 1HD1 LEU 26 2HD1 LEU 26 9.192 -9.369 -8.919
149 2HD1 LEU 26 1HD1 LEU 26 8.302 -10.667 -8.152
150 3HD1 LEU 26 3HD1 LEU 26 7.569 -9.081 -8.320
151 1HD2 LEU 26 2HD2 LEU 26 10.888 -9.649 -5.630
152 2HD2 LEU 26 1HD2 LEU 26 10.035 -11.063 -6.241
153 3HD2 LEU 26 3HD2 LEU 26 10.982 -10.062 -7.326
154 H ASP 27 H ASP 27 7.191 -7.372 -4.573
155 HA ASP 27 HA ASP 27 6.660 -4.482 -4.542
156 1HB ASP 27 2HB ASP 27 5.242 -6.397 -6.438
157 2HB ASP 27 1HB ASP 27 4.525 -4.863 -5.992
158 H SER 28 H SER 28 4.291 -7.055 -4.728
159 HA SER 28 HA SER 28 3.614 -6.824 -1.846
160 1HB SER 28 2HB SER 28 1.763 -5.493 -1.946
161 2HB SER 28 1HB SER 28 2.643 -4.772 -3.274
162 HG SER 28 HG SER 28 1.206 -5.540 -4.642
163 H TYR 29 H TYR 29 0.858 -7.579 -2.847
164 HA TYR 29 HA TYR 29 1.491 -10.538 -3.103
165 1HB TYR 29 2HB TYR 29 -0.193 -10.518 -1.419
166 2HB TYR 29 1HB TYR 29 -0.831 -8.969 -1.978
167 HD1 TYR 29 HD2 TYR 29 -0.376 -12.339 -3.484
168 HD2 TYR 29 HD1 TYR 29 -3.174 -9.231 -2.710
169 HE1 TYR 29 HE2 TYR 29 -2.042 -13.541 -4.732
170 HE2 TYR 29 HE1 TYR 29 -4.857 -10.478 -3.945
171 HH TYR 29 HH TYR 29 -4.054 -13.374 -5.785
172 H THR 30 H THR 30 0.978 -11.705 -4.758
173 HA THR 30 HA THR 30 -0.613 -10.514 -6.880
174 HB THR 30 HB THR 30 2.020 -9.925 -6.642
175 HG1 THR 30 HG1 THR 30 0.886 -8.943 -8.236
176 1HG2 THR 30 2HG2 THR 30 2.639 -12.392 -7.136
177 2HG2 THR 30 1HG2 THR 30 2.003 -12.131 -8.754
178 3HG2 THR 30 3HG2 THR 30 3.366 -11.180 -8.183
179 H CYS 31 H CYS 31 -0.407 -12.156 -8.899
180 HA CYS 31 HA CYS 31 -0.731 -14.872 -7.650
181 1HB CYS 31 2HB CYS 31 -2.612 -13.314 -9.123
182 2HB CYS 31 1HB CYS 31 -2.112 -14.604 -10.188
183 H ASN 32 H ASN 32 0.031 -16.605 -8.842
184 HA ASN 32 HA ASN 32 2.192 -15.906 -10.810
185 1HB ASN 32 2HB ASN 32 2.603 -17.227 -8.559
186 2HB ASN 32 1HB ASN 32 1.876 -18.582 -9.397
187 1HD2 ASN 32 2HD2 ASN 32 4.965 -19.289 -10.877
188 2HD2 ASN 32 1HD2 ASN 32 3.573 -19.889 -10.105
189 H CYS 33 H CYS 33 0.454 -15.581 -12.338
190 HA CYS 33 HA CYS 33 -1.221 -17.679 -13.146
191 1HB CYS 33 2HB CYS 33 -0.227 -15.408 -14.912
192 2HB CYS 33 1HB CYS 33 -1.685 -16.307 -14.982
193 H VAL 34 H VAL 34 -1.194 -18.904 -14.888
194 HA VAL 34 HA VAL 34 1.107 -20.408 -15.321
195 HB VAL 34 HB VAL 34 -1.325 -21.087 -15.603
196 1HG1 VAL 34 2HG1 VAL 34 -1.758 -19.042 -17.129
197 2HG1 VAL 34 1HG1 VAL 34 -1.370 -20.143 -18.440
198 3HG1 VAL 34 3HG1 VAL 34 -2.639 -20.549 -17.332
199 1HG2 VAL 34 1HG2 VAL 34 0.516 -22.563 -16.614
200 2HG2 VAL 34 3HG2 VAL 34 -1.108 -22.737 -17.264
201 3HG2 VAL 34 2HG2 VAL 34 0.083 -21.840 -18.166
202 H ILE 35 H ILE 35 1.991 -21.013 -17.192
203 HA ILE 35 HA ILE 35 3.490 -18.994 -18.504
204 HB ILE 35 HB ILE 35 4.337 -21.224 -18.570
205 1HG1 ILE 35 2HG1 ILE 35 3.281 -21.036 -21.413
206 2HG1 ILE 35 1HG1 ILE 35 4.385 -19.820 -20.819
207 1HG2 ILE 35 2HG2 ILE 35 1.625 -22.028 -19.698
208 2HG2 ILE 35 1HG2 ILE 35 3.007 -23.102 -19.748
209 3HG2 ILE 35 3HG2 ILE 35 2.383 -22.586 -18.206
210 1HD1 ILE 35 2HD1 ILE 35 6.025 -21.657 -20.184
211 2HD1 ILE 35 1HD1 ILE 35 4.950 -22.811 -20.960
212 3HD1 ILE 35 3HD1 ILE 35 5.708 -21.546 -21.903
213 H GLY 36 H GLY 36 0.387 -20.126 -19.045
214 1HA GLY 36 2HA GLY 36 0.073 -18.914 -21.710
215 2HA GLY 36 1HA GLY 36 -1.127 -19.889 -20.918
216 H TYR 37 H TYR 37 -0.589 -17.942 -18.516
217 HA TYR 37 HA TYR 37 -2.192 -15.581 -19.388
218 1HB TYR 37 2HB TYR 37 -2.620 -16.899 -16.725
219 2HB TYR 37 1HB TYR 37 -3.739 -15.869 -17.601
220 HD1 TYR 37 HD1 TYR 37 -3.777 -17.571 -20.246
221 HD2 TYR 37 HD2 TYR 37 -4.096 -18.636 -16.156
222 HE1 TYR 37 HE1 TYR 37 -5.059 -19.524 -20.863
223 HE2 TYR 37 HE2 TYR 37 -5.402 -20.610 -16.782
224 HH TYR 37 HH TYR 37 -6.747 -21.022 -19.803
225 H SER 38 H SER 38 -1.213 -13.760 -18.813
226 HA SER 38 HA SER 38 0.577 -13.973 -16.442
227 1HB SER 38 2HB SER 38 1.990 -14.360 -18.462
228 2HB SER 38 1HB SER 38 1.415 -12.854 -19.191
229 HG SER 38 HG SER 38 3.265 -13.230 -17.180
230 H GLY 39 H GLY 39 1.458 -11.240 -17.491
231 1HA GLY 39 2HA GLY 39 0.865 -8.995 -17.210
232 2HA GLY 39 1HA GLY 39 -0.824 -9.476 -17.327
233 H ASP 40 H ASP 40 0.524 -11.321 -14.919
234 HA ASP 40 HA ASP 40 0.884 -10.942 -12.577
235 1HB ASP 40 2HB ASP 40 1.029 -8.353 -13.224
236 2HB ASP 40 1HB ASP 40 -0.639 -8.322 -12.719
237 H ARG 41 H ARG 41 -2.017 -10.930 -14.267
238 HA ARG 41 HA ARG 41 -3.429 -11.845 -11.848
239 1HB ARG 41 2HB ARG 41 -3.808 -9.275 -12.957
240 2HB ARG 41 1HB ARG 41 -5.062 -10.188 -13.715
241 1HG ARG 41 2HG ARG 41 -4.643 -10.534 -10.798
242 2HG ARG 41 1HG ARG 41 -5.211 -8.978 -11.382
243 1HD ARG 41 2HD ARG 41 -6.627 -10.995 -12.764
244 2HD ARG 41 1HD ARG 41 -6.699 -11.363 -11.082
245 HE ARG 41 HE ARG 41 -8.450 -9.661 -12.077
246 1HH1 ARG 41 2HH1 ARG 41 -6.250 -9.466 -9.552
247 2HH1 ARG 41 1HH1 ARG 41 -6.636 -7.840 -9.087
248 1HH2 ARG 41 1HH2 ARG 41 -8.758 -7.493 -11.880
249 2HH2 ARG 41 2HH2 ARG 41 -8.168 -6.638 -10.492
250 H CYS 42 H CYS 42 -2.543 -12.489 -14.894
251 HA CYS 42 HA CYS 42 -3.069 -14.082 -16.337
252 1HB CYS 42 2HB CYS 42 -5.411 -15.228 -14.873
253 2HB CYS 42 1HB CYS 42 -4.022 -16.061 -15.499
254 H GLN 43 H GLN 43 -4.204 -11.645 -16.174
255 HA GLN 43 HA GLN 43 -7.011 -11.722 -17.062
256 1HB GLN 43 2HB GLN 43 -6.791 -9.273 -17.025
257 2HB GLN 43 1HB GLN 43 -6.152 -9.932 -15.517
258 1HG GLN 43 2HG GLN 43 -3.991 -9.790 -17.422
259 2HG GLN 43 1HG GLN 43 -4.834 -8.254 -17.428
260 1HE2 GLN 43 2HE2 GLN 43 -2.299 -9.098 -14.568
261 2HE2 GLN 43 1HE2 GLN 43 -2.484 -10.101 -15.947
262 H THR 44 H THR 44 -3.928 -11.725 -18.186
263 HA THR 44 HA THR 44 -4.717 -11.258 -21.031
264 HB THR 44 HB THR 44 -3.074 -9.742 -19.674
265 HG1 THR 44 HG1 THR 44 -1.619 -10.389 -21.859
266 1HG2 THR 44 3HG2 THR 44 -1.826 -11.623 -18.776
267 2HG2 THR 44 2HG2 THR 44 -1.038 -11.807 -20.335
268 3HG2 THR 44 1HG2 THR 44 -0.868 -10.298 -19.417
269 H ARG 45 H ARG 45 -5.484 -13.263 -21.107
270 HA ARG 45 HA ARG 45 -3.938 -15.601 -20.300
271 1HB ARG 45 2HB ARG 45 -6.551 -15.569 -21.866
272 2HB ARG 45 1HB ARG 45 -6.020 -16.689 -20.643
273 1HG ARG 45 2HG ARG 45 -6.135 -14.744 -18.969
274 2HG ARG 45 1HG ARG 45 -6.961 -13.831 -20.221
275 1HD ARG 45 2HD ARG 45 -8.022 -16.429 -19.101
276 2HD ARG 45 1HD ARG 45 -8.607 -14.801 -18.729
277 HE ARG 45 HE ARG 45 -9.190 -14.587 -21.166
278 1HH1 ARG 45 1HH2 ARG 45 -8.133 -16.628 -22.579
279 2HH1 ARG 45 2HH2 ARG 45 -9.233 -17.967 -22.513
280 1HH2 ARG 45 2HH1 ARG 45 -10.793 -16.557 -19.664
281 2HH2 ARG 45 1HH1 ARG 45 -10.856 -17.931 -20.707
282 H ASP 46 H ASP 46 -2.207 -15.445 -21.590
283 HA ASP 46 HA ASP 46 -2.388 -14.689 -24.335
284 1HB ASP 46 2HB ASP 46 -0.181 -14.658 -23.109
285 2HB ASP 46 1HB ASP 46 -0.249 -16.410 -22.942
286 H LEU 47 H LEU 47 -3.009 -17.424 -22.611
287 HA LEU 47 HA LEU 47 -4.062 -19.409 -22.963
288 1HB LEU 47 2HB LEU 47 -4.496 -17.943 -25.519
289 2HB LEU 47 1HB LEU 47 -4.382 -19.631 -25.890
290 HG LEU 47 HG LEU 47 -6.127 -18.552 -23.627
291 1HD1 LEU 47 3HD1 LEU 47 -6.926 -18.993 -26.537
292 2HD1 LEU 47 2HD1 LEU 47 -8.031 -18.597 -25.229
293 3HD1 LEU 47 1HD1 LEU 47 -6.812 -17.441 -25.725
294 1HD2 LEU 47 2HD2 LEU 47 -5.631 -21.073 -23.736
295 2HD2 LEU 47 1HD2 LEU 47 -7.332 -20.673 -23.860
296 3HD2 LEU 47 3HD2 LEU 47 -6.426 -21.099 -25.299
297 H ARG 48 HN ARG 48 -3.382 -20.999 -25.473
298 HA ARG 48 HA ARG 48 -1.914 -22.879 -25.558
299 1HB ARG 48 2HB ARG 48 0.191 -21.018 -26.614
300 2HB ARG 48 1HB ARG 48 -0.638 -22.330 -27.395
301 1HG ARG 48 2HG ARG 48 -1.683 -20.731 -28.627
302 2HG ARG 48 1HG ARG 48 -2.651 -20.349 -27.234
303 1HD ARG 48 2HD ARG 48 -1.684 -18.248 -27.700
304 2HD ARG 48 1HD ARG 48 -0.540 -18.856 -26.523
305 HE ARG 48 HE ARG 48 -0.130 -19.011 -29.500
306 1HH1 ARG 48 1HH2 ARG 48 1.652 -20.797 -28.501
307 2HH1 ARG 48 2HH2 ARG 48 3.047 -19.923 -27.973
308 1HH2 ARG 48 1HH1 ARG 48 1.163 -16.930 -27.852
309 2HH2 ARG 48 2HH1 ARG 48 2.747 -17.556 -27.569
No H/Q in entry = 309
Start of MODEL 7
1 1H PRO 4 1H PRO 4 -0.583 0.092 -0.771
2 2H PRO 4 2H PRO 4 -0.226 1.657 -1.330
3 HA PRO 4 HA PRO 4 1.797 1.011 -1.940
4 1HB PRO 4 2HB PRO 4 3.114 -0.075 0.268
5 2HB PRO 4 1HB PRO 4 2.905 1.653 -0.012
6 1HG PRO 4 2HG PRO 4 1.228 -0.179 1.713
7 2HG PRO 4 1HG PRO 4 1.801 1.453 2.067
8 1HD PRO 4 2HD PRO 4 -0.730 1.023 1.234
9 2HD PRO 4 1HD PRO 4 0.157 2.456 0.700
10 H GLY 5 H GLY 5 0.009 -0.705 -2.775
11 1HA GLY 5 2HA GLY 5 0.752 -2.843 -3.927
12 2HA GLY 5 1HA GLY 5 1.143 -3.433 -2.311
13 1HN ABA 6 HN ABA 6 -0.441 -5.181 -3.121
14 HA ABA 6 HA ABA 6 -3.154 -4.313 -2.355
15 1HB ABA 6 1HB ABA 6 -3.178 -6.577 -4.239
16 2HB ABA 6 2HB ABA 6 -2.265 -5.265 -4.910
17 1HG ABA 6 1HG ABA 6 -4.313 -3.748 -4.183
18 2HG ABA 6 2HG ABA 6 -5.183 -5.274 -4.130
19 3HG ABA 6 3HG ABA 6 -4.433 -4.730 -5.625
20 HA PRO 7 HA PRO 7 -2.686 -8.347 -0.128
21 1HB PRO 7 2HB PRO 7 -1.109 -8.027 1.999
22 2HB PRO 7 1HB PRO 7 -0.426 -8.407 0.414
23 1HG PRO 7 2HG PRO 7 -0.452 -5.730 1.844
24 2HG PRO 7 1HG PRO 7 0.758 -6.393 0.761
25 1HD PRO 7 2HD PRO 7 -1.363 -4.576 -0.024
26 2HD PRO 7 1HD PRO 7 -0.294 -5.486 -1.108
27 H SER 8 H SER 8 -4.270 -6.127 -0.211
28 HA SER 8 HA SER 8 -5.240 -5.647 2.576
29 1HB SER 8 2HB SER 8 -4.930 -3.588 1.138
30 2HB SER 8 1HB SER 8 -6.053 -4.277 -0.049
31 HG SER 8 HG SER 8 -7.250 -4.404 2.339
32 H SER 9 H SER 9 -5.990 -7.202 -0.436
33 HA SER 9 HA SER 9 -7.966 -8.883 0.696
34 1HB SER 9 2HB SER 9 -9.397 -6.705 0.343
35 2HB SER 9 1HB SER 9 -9.113 -6.924 -1.397
36 HG SER 9 HG SER 9 -10.822 -8.234 0.129
37 H TYR 10 H TYR 10 -8.470 -10.449 -0.886
38 HA TYR 10 HA TYR 10 -7.016 -10.254 -3.402
39 1HB TYR 10 2HB TYR 10 -6.731 -12.953 -2.812
40 2HB TYR 10 1HB TYR 10 -5.527 -11.766 -2.359
41 HD1 TYR 10 HD2 TYR 10 -8.291 -13.757 -1.171
42 HD2 TYR 10 HD1 TYR 10 -5.252 -11.004 -0.041
43 HE1 TYR 10 HE2 TYR 10 -8.686 -14.299 1.194
44 HE2 TYR 10 HE1 TYR 10 -5.645 -11.549 2.319
45 HH TYR 10 HH TYR 10 -6.804 -13.983 3.444
46 H ASP 11 H ASP 11 -9.916 -10.225 -2.339
47 HA ASP 11 HA ASP 11 -11.237 -12.468 -3.472
48 1HB ASP 11 2HB ASP 11 -13.292 -11.096 -3.244
49 2HB ASP 11 1HB ASP 11 -12.267 -10.754 -1.865
50 H GLY 12 H GLY 12 -11.843 -12.869 -5.564
51 1HA GLY 12 2HA GLY 12 -11.482 -12.822 -7.932
52 2HA GLY 12 1HA GLY 12 -12.353 -11.300 -7.776
53 H TYR 13 H TYR 13 -9.221 -12.158 -6.565
54 HA TYR 13 HA TYR 13 -7.992 -9.844 -7.906
55 1HB TYR 13 2HB TYR 13 -7.725 -10.377 -5.466
56 2HB TYR 13 1HB TYR 13 -6.824 -11.834 -5.923
57 HD1 TYR 13 HD2 TYR 13 -4.649 -11.572 -7.162
58 HD2 TYR 13 HD1 TYR 13 -6.703 -8.215 -5.543
59 HE1 TYR 13 HE2 TYR 13 -2.629 -10.261 -7.352
60 HE2 TYR 13 HE1 TYR 13 -4.672 -6.905 -5.725
61 HH TYR 13 HH TYR 13 -1.620 -8.227 -6.258
62 H CYS 14 H CYS 14 -8.244 -13.149 -8.484
63 HA CYS 14 HA CYS 14 -5.905 -13.078 -10.371
64 1HB CYS 14 2HB CYS 14 -7.056 -15.520 -9.039
65 2HB CYS 14 1HB CYS 14 -5.589 -15.351 -9.963
66 H LEU 15 H LEU 15 -6.369 -14.172 -12.442
67 HA LEU 15 HA LEU 15 -9.304 -14.296 -13.033
68 1HB LEU 15 2HB LEU 15 -6.990 -13.191 -14.491
69 2HB LEU 15 1HB LEU 15 -7.883 -14.289 -15.476
70 HG LEU 15 HG LEU 15 -9.963 -12.766 -14.539
71 1HD1 LEU 15 3HD1 LEU 15 -7.469 -10.999 -14.691
72 2HD1 LEU 15 2HD1 LEU 15 -9.098 -10.364 -14.734
73 3HD1 LEU 15 1HD1 LEU 15 -8.527 -11.208 -13.329
74 1HD2 LEU 15 2HD2 LEU 15 -8.376 -12.970 -17.030
75 2HD2 LEU 15 1HD2 LEU 15 -10.094 -12.704 -16.832
76 3HD2 LEU 15 3HD2 LEU 15 -8.986 -11.351 -16.808
77 H ASN 16 H ASN 16 -6.386 -16.035 -13.536
78 HA ASN 16 HA ASN 16 -7.922 -18.488 -14.112
79 1HB ASN 16 2HB ASN 16 -5.767 -17.470 -15.976
80 2HB ASN 16 1HB ASN 16 -6.404 -19.119 -16.003
81 1HD2 ASN 16 2HD2 ASN 16 -8.675 -16.064 -17.313
82 2HD2 ASN 16 1HD2 ASN 16 -7.273 -15.738 -16.401
83 H GLY 17 H GLY 17 -4.428 -18.150 -14.613
84 1HA GLY 17 2HA GLY 17 -3.808 -20.660 -13.395
85 2HA GLY 17 1HA GLY 17 -2.629 -19.407 -13.727
86 H GLY 18 H GLY 18 -4.328 -17.571 -12.303
87 1HA GLY 18 2HA GLY 18 -3.706 -16.462 -10.269
88 2HA GLY 18 1HA GLY 18 -5.202 -17.316 -10.020
89 H VAL 19 H VAL 19 -1.697 -18.072 -9.591
90 HA VAL 19 HA VAL 19 -2.550 -19.490 -7.160
91 HB VAL 19 HB VAL 19 -0.141 -19.434 -9.036
92 1HG1 VAL 19 3HG1 VAL 19 0.151 -20.013 -6.091
93 2HG1 VAL 19 2HG1 VAL 19 1.232 -20.738 -7.283
94 3HG1 VAL 19 1HG1 VAL 19 1.141 -18.998 -7.123
95 1HG2 VAL 19 1HG2 VAL 19 -1.504 -21.728 -7.589
96 2HG2 VAL 19 3HG2 VAL 19 -1.775 -21.221 -9.252
97 3HG2 VAL 19 2HG2 VAL 19 -0.223 -21.892 -8.784
98 1HN ABA 20 HN ABA 20 -3.103 -18.011 -5.910
99 HA ABA 20 HA ABA 20 -1.997 -15.440 -5.572
100 1HB ABA 20 1HB ABA 20 -3.609 -17.215 -3.708
101 2HB ABA 20 2HB ABA 20 -4.187 -16.097 -4.894
102 1HG ABA 20 1HG ABA 20 -2.298 -14.754 -3.000
103 2HG ABA 20 2HG ABA 20 -3.519 -15.589 -2.098
104 3HG ABA 20 3HG ABA 20 -3.987 -14.372 -3.263
105 H MET 21 H MET 21 0.136 -15.309 -5.295
106 HA MET 21 HA MET 21 1.296 -16.563 -2.837
107 1HB MET 21 2HB MET 21 3.481 -16.641 -4.087
108 2HB MET 21 1HB MET 21 2.273 -17.606 -4.898
109 1HG MET 21 2HG MET 21 1.867 -15.896 -6.548
110 2HG MET 21 1HG MET 21 2.880 -14.748 -5.723
111 1HE MET 21 1HE MET 21 5.549 -15.607 -5.195
112 2HE MET 21 3HE MET 21 5.314 -17.359 -5.268
113 3HE MET 21 2HE MET 21 6.418 -16.573 -6.388
114 H HIS 22 H HIS 22 3.316 -15.065 -2.215
115 HA HIS 22 HA HIS 22 2.279 -12.268 -2.525
116 1HB HIS 22 2HB HIS 22 2.365 -13.292 -0.257
117 2HB HIS 22 1HB HIS 22 4.132 -13.345 -0.431
118 HD1 HIS 22 HD1 HIS 22 3.358 -10.253 -1.928
119 HD2 HIS 22 HD2 HIS 22 3.317 -11.660 1.985
120 HE1 HIS 22 HE1 HIS 22 3.541 -8.350 -0.388
121 H ILE 23 H ILE 23 3.588 -10.902 -3.704
122 HA ILE 23 HA ILE 23 6.223 -11.909 -4.341
123 HB ILE 23 HB ILE 23 4.115 -11.088 -5.957
124 1HG1 ILE 23 2HG1 ILE 23 6.032 -10.960 -7.674
125 2HG1 ILE 23 1HG1 ILE 23 7.058 -11.465 -6.355
126 1HG2 ILE 23 2HG2 ILE 23 4.815 -8.691 -5.158
127 2HG2 ILE 23 1HG2 ILE 23 6.127 -8.864 -6.287
128 3HG2 ILE 23 3HG2 ILE 23 4.460 -8.933 -6.849
129 1HD1 ILE 23 2HD1 ILE 23 4.990 -13.305 -6.132
130 2HD1 ILE 23 1HD1 ILE 23 4.993 -13.022 -7.860
131 3HD1 ILE 23 3HD1 ILE 23 6.438 -13.605 -7.071
132 H GLU 24 H GLU 24 5.193 -10.233 -2.096
133 HA GLU 24 HA GLU 24 5.788 -7.659 -1.807
134 1HB GLU 24 2HB GLU 24 5.914 -9.784 0.067
135 2HB GLU 24 1HB GLU 24 7.528 -9.133 0.152
136 1HG GLU 24 2HG GLU 24 5.140 -7.233 0.341
137 2HG GLU 24 1HG GLU 24 5.744 -8.071 1.749
138 H SER 25 H SER 25 8.235 -9.937 -1.827
139 HA SER 25 HA SER 25 10.621 -8.805 -1.679
140 1HB SER 25 2HB SER 25 9.704 -10.571 -3.981
141 2HB SER 25 1HB SER 25 11.409 -10.369 -3.530
142 HG SER 25 HG SER 25 11.009 -11.743 -1.957
143 H LEU 26 H LEU 26 8.731 -8.485 -4.415
144 HA LEU 26 HA LEU 26 10.430 -6.322 -5.544
145 1HB LEU 26 2HB LEU 26 8.473 -6.987 -7.487
146 2HB LEU 26 1HB LEU 26 10.191 -7.291 -7.583
147 HG LEU 26 HG LEU 26 8.290 -9.034 -6.119
148 1HD1 LEU 26 3HD1 LEU 26 9.078 -9.232 -9.075
149 2HD1 LEU 26 2HD1 LEU 26 8.245 -10.508 -8.213
150 3HD1 LEU 26 1HD1 LEU 26 7.465 -8.956 -8.439
151 1HD2 LEU 26 3HD2 LEU 26 10.908 -9.289 -5.882
152 2HD2 LEU 26 2HD2 LEU 26 10.039 -10.758 -6.303
153 3HD2 LEU 26 1HD2 LEU 26 10.891 -9.853 -7.537
154 H ASP 27 H ASP 27 7.177 -7.261 -4.726
155 HA ASP 27 HA ASP 27 6.498 -4.410 -4.564
156 1HB ASP 27 2HB ASP 27 5.383 -6.263 -6.658
157 2HB ASP 27 1HB ASP 27 4.273 -5.085 -5.987
158 H SER 28 H SER 28 4.182 -7.032 -4.793
159 HA SER 28 HA SER 28 3.591 -6.916 -1.886
160 1HB SER 28 2HB SER 28 1.823 -5.490 -1.884
161 2HB SER 28 1HB SER 28 2.616 -4.818 -3.292
162 HG SER 28 HG SER 28 1.124 -5.638 -4.564
163 H TYR 29 H TYR 29 0.803 -7.651 -2.845
164 HA TYR 29 HA TYR 29 1.443 -10.607 -3.180
165 1HB TYR 29 2HB TYR 29 -0.238 -10.592 -1.460
166 2HB TYR 29 1HB TYR 29 -0.859 -9.027 -1.962
167 HD1 TYR 29 HD2 TYR 29 -0.632 -12.457 -3.470
168 HD2 TYR 29 HD1 TYR 29 -3.083 -9.075 -2.734
169 HE1 TYR 29 HE2 TYR 29 -2.457 -13.516 -4.650
170 HE2 TYR 29 HE1 TYR 29 -4.911 -10.157 -3.889
171 HH TYR 29 HH TYR 29 -5.638 -12.447 -4.512
172 H THR 30 H THR 30 0.886 -11.798 -4.781
173 HA THR 30 HA THR 30 -0.688 -10.627 -6.951
174 HB THR 30 HB THR 30 1.970 -10.156 -6.795
175 HG1 THR 30 HG1 THR 30 1.189 -10.576 -9.394
176 1HG2 THR 30 3HG2 THR 30 2.524 -12.613 -7.104
177 2HG2 THR 30 2HG2 THR 30 1.814 -12.561 -8.710
178 3HG2 THR 30 1HG2 THR 30 3.216 -11.564 -8.328
179 H CYS 31 H CYS 31 -0.610 -12.351 -8.843
180 HA CYS 31 HA CYS 31 -0.900 -15.026 -7.513
181 1HB CYS 31 2HB CYS 31 -2.854 -13.440 -8.864
182 2HB CYS 31 1HB CYS 31 -2.446 -14.727 -9.967
183 H ASN 32 H ASN 32 -0.007 -16.740 -8.686
184 HA ASN 32 HA ASN 32 1.938 -15.938 -10.848
185 1HB ASN 32 2HB ASN 32 2.719 -17.326 -8.757
186 2HB ASN 32 1HB ASN 32 1.790 -18.655 -9.435
187 1HD2 ASN 32 2HD2 ASN 32 4.485 -19.430 -11.600
188 2HD2 ASN 32 1HD2 ASN 32 3.291 -20.031 -10.548
189 H CYS 33 H CYS 33 0.780 -15.886 -12.620
190 HA CYS 33 HA CYS 33 -1.364 -17.825 -13.029
191 1HB CYS 33 2HB CYS 33 -0.338 -15.659 -14.965
192 2HB CYS 33 1HB CYS 33 -1.806 -16.537 -15.017
193 H VAL 34 H VAL 34 -1.397 -18.733 -15.391
194 HA VAL 34 HA VAL 34 0.915 -20.448 -15.403
195 HB VAL 34 HB VAL 34 -1.452 -21.229 -15.847
196 1HG1 VAL 34 2HG1 VAL 34 -1.975 -19.156 -17.219
197 2HG1 VAL 34 1HG1 VAL 34 -1.467 -20.097 -18.609
198 3HG1 VAL 34 3HG1 VAL 34 -2.752 -20.685 -17.582
199 1HG2 VAL 34 2HG2 VAL 34 0.545 -22.535 -16.918
200 2HG2 VAL 34 1HG2 VAL 34 -1.078 -22.845 -17.508
201 3HG2 VAL 34 3HG2 VAL 34 -0.013 -21.820 -18.437
202 H ILE 35 H ILE 35 1.969 -21.029 -17.172
203 HA ILE 35 HA ILE 35 3.579 -19.061 -18.370
204 HB ILE 35 HB ILE 35 4.375 -21.291 -18.482
205 1HG1 ILE 35 2HG1 ILE 35 3.393 -20.961 -21.356
206 2HG1 ILE 35 1HG1 ILE 35 4.627 -19.915 -20.697
207 1HG2 ILE 35 2HG2 ILE 35 1.700 -22.025 -19.737
208 2HG2 ILE 35 1HG2 ILE 35 3.063 -23.123 -19.725
209 3HG2 ILE 35 3HG2 ILE 35 2.371 -22.604 -18.212
210 1HD1 ILE 35 3HD1 ILE 35 5.638 -22.406 -19.998
211 2HD1 ILE 35 2HD1 ILE 35 4.826 -22.761 -21.511
212 3HD1 ILE 35 1HD1 ILE 35 6.075 -21.534 -21.453
213 H GLY 36 H GLY 36 0.485 -20.097 -19.169
214 1HA GLY 36 2HA GLY 36 0.399 -18.785 -21.794
215 2HA GLY 36 1HA GLY 36 -0.839 -19.804 -21.111
216 H TYR 37 H TYR 37 -0.608 -17.972 -18.640
217 HA TYR 37 HA TYR 37 -2.239 -15.612 -19.482
218 1HB TYR 37 2HB TYR 37 -2.622 -17.167 -16.896
219 2HB TYR 37 1HB TYR 37 -3.734 -16.048 -17.667
220 HD1 TYR 37 HD2 TYR 37 -3.484 -17.464 -20.503
221 HD2 TYR 37 HD1 TYR 37 -4.363 -18.970 -16.649
222 HE1 TYR 37 HE2 TYR 37 -4.713 -19.249 -21.519
223 HE2 TYR 37 HE1 TYR 37 -5.633 -20.803 -17.705
224 HH TYR 37 HH TYR 37 -5.345 -21.723 -20.823
225 H SER 38 H SER 38 -1.181 -13.823 -19.079
226 HA SER 38 HA SER 38 0.702 -13.928 -16.756
227 1HB SER 38 2HB SER 38 1.894 -14.249 -18.975
228 2HB SER 38 1HB SER 38 1.368 -12.632 -19.459
229 HG SER 38 HG SER 38 3.362 -13.338 -17.766
230 H GLY 39 H GLY 39 1.608 -11.275 -17.619
231 1HA GLY 39 2HA GLY 39 1.045 -9.002 -17.426
232 2HA GLY 39 1HA GLY 39 -0.641 -9.429 -17.122
233 H ASP 40 H ASP 40 -0.328 -11.244 -15.147
234 HA ASP 40 HA ASP 40 1.069 -11.357 -12.935
235 1HB ASP 40 2HB ASP 40 0.382 -8.440 -13.150
236 2HB ASP 40 1HB ASP 40 -0.068 -9.124 -11.646
237 H ARG 41 H ARG 41 -1.994 -11.036 -14.222
238 HA ARG 41 HA ARG 41 -3.256 -12.068 -11.786
239 1HB ARG 41 2HB ARG 41 -3.525 -9.470 -12.622
240 2HB ARG 41 1HB ARG 41 -4.762 -10.192 -13.609
241 1HG ARG 41 2HG ARG 41 -4.666 -10.835 -10.722
242 2HG ARG 41 1HG ARG 41 -5.236 -9.256 -11.236
243 1HD ARG 41 2HD ARG 41 -6.419 -11.259 -12.880
244 2HD ARG 41 1HD ARG 41 -6.775 -11.554 -11.200
245 HE ARG 41 HE ARG 41 -7.359 -8.952 -12.497
246 1HH1 ARG 41 2HH1 ARG 41 -8.064 -7.985 -10.331
247 2HH1 ARG 41 1HH1 ARG 41 -9.464 -8.784 -9.657
248 1HH2 ARG 41 1HH2 ARG 41 -9.047 -11.584 -11.683
249 2HH2 ARG 41 2HH2 ARG 41 -10.024 -10.840 -10.461
250 H CYS 42 H CYS 42 -2.438 -12.565 -14.885
251 HA CYS 42 HA CYS 42 -2.994 -14.085 -16.427
252 1HB CYS 42 2HB CYS 42 -5.389 -15.294 -15.127
253 2HB CYS 42 1HB CYS 42 -3.931 -16.073 -15.654
254 H GLN 43 H GLN 43 -3.970 -11.604 -16.223
255 HA GLN 43 HA GLN 43 -6.809 -11.512 -17.019
256 1HB GLN 43 2HB GLN 43 -6.395 -9.064 -17.048
257 2HB GLN 43 1HB GLN 43 -5.885 -9.760 -15.511
258 1HG GLN 43 2HG GLN 43 -3.674 -9.810 -17.414
259 2HG GLN 43 1HG GLN 43 -4.342 -8.186 -17.259
260 1HE2 GLN 43 2HE2 GLN 43 -1.869 -9.403 -14.520
261 2HE2 GLN 43 1HE2 GLN 43 -2.030 -10.183 -16.040
262 H THR 44 H THR 44 -3.812 -11.882 -18.326
263 HA THR 44 HA THR 44 -4.739 -11.279 -21.107
264 HB THR 44 HB THR 44 -3.018 -9.790 -19.992
265 HG1 THR 44 HG1 THR 44 -1.586 -10.565 -22.156
266 1HG2 THR 44 2HG2 THR 44 -1.751 -11.677 -19.003
267 2HG2 THR 44 1HG2 THR 44 -0.944 -11.869 -20.548
268 3HG2 THR 44 3HG2 THR 44 -0.814 -10.343 -19.658
269 H ARG 45 H ARG 45 -5.508 -13.333 -21.334
270 HA ARG 45 HA ARG 45 -3.836 -15.611 -20.643
271 1HB ARG 45 2HB ARG 45 -6.569 -15.250 -21.958
272 2HB ARG 45 1HB ARG 45 -5.732 -16.759 -21.955
273 1HG ARG 45 2HG ARG 45 -6.734 -17.080 -20.027
274 2HG ARG 45 1HG ARG 45 -5.380 -16.164 -19.384
275 1HD ARG 45 2HD ARG 45 -7.219 -15.036 -18.402
276 2HD ARG 45 1HD ARG 45 -6.832 -14.029 -19.763
277 HE ARG 45 HE ARG 45 -8.698 -15.080 -21.002
278 1HH1 ARG 45 2HH1 ARG 45 -8.923 -17.500 -19.547
279 2HH1 ARG 45 1HH1 ARG 45 -10.300 -17.322 -18.522
280 1HH2 ARG 45 1HH2 ARG 45 -10.098 -13.785 -18.925
281 2HH2 ARG 45 2HH2 ARG 45 -11.046 -15.020 -18.150
282 H ASP 46 H ASP 46 -2.099 -15.516 -21.840
283 HA ASP 46 HA ASP 46 -2.294 -14.739 -24.550
284 1HB ASP 46 2HB ASP 46 -0.050 -14.696 -23.337
285 2HB ASP 46 1HB ASP 46 -0.107 -16.446 -23.172
286 H LEU 47 H LEU 47 -2.596 -17.579 -22.881
287 HA LEU 47 HA LEU 47 -3.893 -19.463 -23.342
288 1HB LEU 47 2HB LEU 47 -3.169 -19.046 -26.335
289 2HB LEU 47 1HB LEU 47 -4.233 -20.292 -25.733
290 HG LEU 47 HG LEU 47 -4.902 -17.418 -25.081
291 1HD1 LEU 47 1HD1 LEU 47 -4.586 -17.522 -27.540
292 2HD1 LEU 47 3HD1 LEU 47 -5.710 -18.871 -27.640
293 3HD1 LEU 47 2HD1 LEU 47 -6.264 -17.291 -27.106
294 1HD2 LEU 47 3HD2 LEU 47 -6.074 -19.480 -24.018
295 2HD2 LEU 47 2HD2 LEU 47 -7.109 -18.302 -24.793
296 3HD2 LEU 47 1HD2 LEU 47 -6.725 -19.803 -25.616
297 H ARG 48 HN ARG 48 -2.679 -21.343 -25.496
298 HA ARG 48 HA ARG 48 -1.044 -23.037 -25.310
299 1HB ARG 48 2HB ARG 48 0.751 -20.580 -25.068
300 2HB ARG 48 1HB ARG 48 1.234 -22.130 -25.710
301 1HG ARG 48 2HG ARG 48 0.365 -21.712 -27.789
302 2HG ARG 48 1HG ARG 48 -1.100 -20.990 -27.167
303 1HD ARG 48 2HD ARG 48 -0.288 -18.869 -27.425
304 2HD ARG 48 1HD ARG 48 1.225 -19.244 -26.629
305 HE ARG 48 HE ARG 48 0.716 -19.841 -29.531
306 1HH1 ARG 48 1HH1 ARG 48 2.933 -21.150 -29.478
307 2HH1 ARG 48 2HH1 ARG 48 4.280 -20.086 -29.318
308 1HH2 ARG 48 1HH2 ARG 48 2.175 -17.501 -28.128
309 2HH2 ARG 48 2HH2 ARG 48 3.825 -17.874 -28.489
No H/Q in entry = 309
Start of MODEL 8
1 1H PRO 4 1H PRO 4 1.510 0.492 0.422
2 2H PRO 4 2H PRO 4 0.712 1.874 -0.173
3 HA PRO 4 HA PRO 4 0.966 1.228 -2.244
4 1HB PRO 4 2HB PRO 4 3.716 0.397 -2.546
5 2HB PRO 4 1HB PRO 4 3.068 2.004 -2.876
6 1HG PRO 4 2HG PRO 4 4.446 0.949 -0.424
7 2HG PRO 4 1HG PRO 4 4.495 2.571 -1.105
8 1HD PRO 4 2HD PRO 4 3.039 1.987 1.114
9 2HD PRO 4 1HD PRO 4 2.479 3.190 -0.054
10 H GLY 5 H GLY 5 0.497 -0.665 -3.327
11 1HA GLY 5 2HA GLY 5 1.194 -3.078 -3.675
12 2HA GLY 5 1HA GLY 5 1.181 -3.216 -1.914
13 1HN ABA 6 HN ABA 6 -0.297 -5.020 -2.934
14 HA ABA 6 HA ABA 6 -3.049 -4.058 -2.446
15 1HB ABA 6 1HB ABA 6 -2.653 -5.974 -4.706
16 2HB ABA 6 2HB ABA 6 -2.193 -4.307 -4.994
17 1HG ABA 6 1HG ABA 6 -4.939 -5.337 -4.166
18 2HG ABA 6 2HG ABA 6 -4.505 -4.555 -5.679
19 3HG ABA 6 3HG ABA 6 -4.530 -3.626 -4.192
20 HA PRO 7 HA PRO 7 -2.374 -8.461 -0.788
21 1HB PRO 7 2HB PRO 7 -2.023 -7.688 1.969
22 2HB PRO 7 1HB PRO 7 -0.831 -8.490 0.951
23 1HG PRO 7 2HG PRO 7 -0.763 -5.762 1.879
24 2HG PRO 7 1HG PRO 7 0.376 -6.539 0.799
25 1HD PRO 7 2HD PRO 7 -1.741 -4.602 0.110
26 2HD PRO 7 1HD PRO 7 -0.398 -5.216 -0.871
27 H SER 8 H SER 8 -3.477 -5.680 0.866
28 HA SER 8 HA SER 8 -5.443 -6.025 2.447
29 1HB SER 8 2HB SER 8 -5.650 -4.312 -0.039
30 2HB SER 8 1HB SER 8 -6.344 -3.930 1.561
31 HG SER 8 HG SER 8 -4.356 -3.379 2.187
32 H SER 9 H SER 9 -6.099 -6.742 -0.975
33 HA SER 9 HA SER 9 -8.417 -8.298 -0.112
34 1HB SER 9 2HB SER 9 -8.487 -6.007 -2.150
35 2HB SER 9 1HB SER 9 -9.826 -7.110 -1.835
36 HG SER 9 HG SER 9 -8.960 -6.304 0.544
37 H TYR 10 H TYR 10 -8.185 -10.242 -1.031
38 HA TYR 10 HA TYR 10 -6.817 -10.408 -3.598
39 1HB TYR 10 2HB TYR 10 -6.411 -12.876 -2.727
40 2HB TYR 10 1HB TYR 10 -5.422 -11.580 -2.095
41 HD1 TYR 10 HD2 TYR 10 -8.245 -13.780 -1.332
42 HD2 TYR 10 HD1 TYR 10 -5.641 -10.768 0.190
43 HE1 TYR 10 HE2 TYR 10 -9.018 -14.264 0.935
44 HE2 TYR 10 HE1 TYR 10 -6.425 -11.258 2.467
45 HH TYR 10 HH TYR 10 -9.051 -13.499 3.076
46 H ASP 11 H ASP 11 -9.722 -10.160 -2.738
47 HA ASP 11 HA ASP 11 -10.941 -12.587 -3.698
48 1HB ASP 11 2HB ASP 11 -12.007 -9.837 -2.896
49 2HB ASP 11 1HB ASP 11 -13.069 -10.989 -3.674
50 H GLY 12 H GLY 12 -11.501 -12.930 -5.843
51 1HA GLY 12 2HA GLY 12 -11.433 -12.619 -8.192
52 2HA GLY 12 1HA GLY 12 -12.104 -11.023 -7.828
53 H TYR 13 H TYR 13 -9.069 -12.152 -6.656
54 HA TYR 13 HA TYR 13 -7.714 -9.899 -7.971
55 1HB TYR 13 2HB TYR 13 -7.499 -10.474 -5.536
56 2HB TYR 13 1HB TYR 13 -6.562 -11.906 -5.977
57 HD1 TYR 13 HD1 TYR 13 -4.440 -11.544 -7.373
58 HD2 TYR 13 HD2 TYR 13 -6.476 -8.336 -5.445
59 HE1 TYR 13 HE1 TYR 13 -2.465 -10.173 -7.589
60 HE2 TYR 13 HE2 TYR 13 -4.465 -6.965 -5.645
61 HH TYR 13 HH TYR 13 -1.560 -8.071 -6.077
62 H CYS 14 H CYS 14 -8.119 -13.193 -8.580
63 HA CYS 14 HA CYS 14 -5.862 -13.153 -10.533
64 1HB CYS 14 2HB CYS 14 -6.830 -15.567 -8.991
65 2HB CYS 14 1HB CYS 14 -5.376 -15.402 -9.952
66 H LEU 15 H LEU 15 -6.479 -13.986 -12.541
67 HA LEU 15 HA LEU 15 -9.414 -14.359 -12.928
68 1HB LEU 15 2HB LEU 15 -7.200 -13.320 -14.622
69 2HB LEU 15 1HB LEU 15 -8.204 -14.445 -15.466
70 HG LEU 15 HG LEU 15 -10.214 -12.949 -14.582
71 1HD1 LEU 15 3HD1 LEU 15 -7.833 -11.035 -14.542
72 2HD1 LEU 15 2HD1 LEU 15 -9.502 -10.550 -14.386
73 3HD1 LEU 15 1HD1 LEU 15 -8.755 -11.512 -13.126
74 1HD2 LEU 15 2HD2 LEU 15 -8.656 -13.034 -17.011
75 2HD2 LEU 15 1HD2 LEU 15 -10.278 -12.409 -16.823
76 3HD2 LEU 15 3HD2 LEU 15 -8.905 -11.340 -16.659
77 H ASN 16 H ASN 16 -6.449 -16.003 -13.357
78 HA ASN 16 HA ASN 16 -7.892 -18.533 -13.745
79 1HB ASN 16 2HB ASN 16 -6.113 -17.346 -15.857
80 2HB ASN 16 1HB ASN 16 -6.409 -19.098 -15.764
81 1HD2 ASN 16 2HD2 ASN 16 -9.247 -16.755 -17.249
82 2HD2 ASN 16 1HD2 ASN 16 -7.712 -16.121 -16.880
83 H GLY 17 H GLY 17 -4.416 -18.284 -14.613
84 1HA GLY 17 2HA GLY 17 -3.647 -20.667 -13.405
85 2HA GLY 17 1HA GLY 17 -2.548 -19.342 -13.670
86 H GLY 18 H GLY 18 -4.077 -17.605 -12.214
87 1HA GLY 18 2HA GLY 18 -3.460 -16.566 -10.171
88 2HA GLY 18 1HA GLY 18 -4.994 -17.370 -9.939
89 H VAL 19 H VAL 19 -1.557 -18.132 -9.561
90 HA VAL 19 HA VAL 19 -2.322 -19.581 -7.111
91 HB VAL 19 HB VAL 19 -0.023 -19.566 -9.115
92 1HG1 VAL 19 2HG1 VAL 19 0.490 -20.009 -6.167
93 2HG1 VAL 19 1HG1 VAL 19 1.504 -20.761 -7.400
94 3HG1 VAL 19 3HG1 VAL 19 1.377 -19.016 -7.307
95 1HG2 VAL 19 3HG2 VAL 19 -1.252 -21.790 -7.459
96 2HG2 VAL 19 2HG2 VAL 19 -1.603 -21.401 -9.140
97 3HG2 VAL 19 1HG2 VAL 19 -0.024 -22.015 -8.699
98 1HN ABA 20 HN ABA 20 -2.876 -18.070 -5.927
99 HA ABA 20 HA ABA 20 -1.852 -15.462 -5.638
100 1HB ABA 20 1HB ABA 20 -3.392 -17.292 -3.784
101 2HB ABA 20 2HB ABA 20 -4.024 -16.167 -4.942
102 1HG ABA 20 1HG ABA 20 -2.154 -14.888 -2.925
103 2HG ABA 20 2HG ABA 20 -3.450 -15.723 -2.148
104 3HG ABA 20 3HG ABA 20 -3.816 -14.438 -3.272
105 H MET 21 H MET 21 0.288 -15.288 -5.381
106 HA MET 21 HA MET 21 1.487 -16.506 -2.918
107 1HB MET 21 2HB MET 21 3.704 -16.339 -4.184
108 2HB MET 21 1HB MET 21 2.584 -17.489 -4.878
109 1HG MET 21 2HG MET 21 1.959 -15.909 -6.629
110 2HG MET 21 1HG MET 21 2.876 -14.636 -5.876
111 1HE MET 21 1HE MET 21 3.402 -18.306 -6.868
112 2HE MET 21 3HE MET 21 4.964 -18.293 -7.682
113 3HE MET 21 2HE MET 21 4.881 -18.048 -5.940
114 H HIS 22 H HIS 22 3.154 -14.993 -1.949
115 HA HIS 22 HA HIS 22 2.177 -12.217 -2.417
116 1HB HIS 22 2HB HIS 22 2.060 -13.144 -0.169
117 2HB HIS 22 1HB HIS 22 3.832 -13.337 -0.177
118 HD1 HIS 22 HD1 HIS 22 3.281 -10.226 -1.812
119 HD2 HIS 22 HD2 HIS 22 3.073 -11.540 2.135
120 HE1 HIS 22 HE1 HIS 22 3.483 -8.299 -0.305
121 H ILE 23 H ILE 23 3.496 -10.978 -3.639
122 HA ILE 23 HA ILE 23 6.190 -11.967 -4.082
123 HB ILE 23 HB ILE 23 4.106 -11.255 -5.778
124 1HG1 ILE 23 2HG1 ILE 23 6.190 -11.084 -7.427
125 2HG1 ILE 23 1HG1 ILE 23 7.019 -11.786 -6.063
126 1HG2 ILE 23 2HG2 ILE 23 4.760 -8.836 -5.083
127 2HG2 ILE 23 1HG2 ILE 23 6.097 -9.031 -6.175
128 3HG2 ILE 23 3HG2 ILE 23 4.442 -9.143 -6.773
129 1HD1 ILE 23 1HD1 ILE 23 4.995 -13.516 -6.071
130 2HD1 ILE 23 3HD1 ILE 23 4.774 -12.955 -7.720
131 3HD1 ILE 23 2HD1 ILE 23 6.276 -13.706 -7.248
132 H GLU 24 H GLU 24 5.253 -10.319 -1.795
133 HA GLU 24 HA GLU 24 5.885 -7.644 -1.769
134 1HB GLU 24 2HB GLU 24 5.821 -9.641 0.306
135 2HB GLU 24 1HB GLU 24 7.401 -8.926 0.462
136 1HG GLU 24 2HG GLU 24 5.033 -7.021 0.214
137 2HG GLU 24 1HG GLU 24 5.325 -7.813 1.743
138 H SER 25 H SER 25 7.974 -10.205 -1.940
139 HA SER 25 HA SER 25 10.524 -9.457 -1.680
140 1HB SER 25 2HB SER 25 9.725 -10.888 -4.235
141 2HB SER 25 1HB SER 25 10.952 -11.399 -3.068
142 HG SER 25 HG SER 25 9.387 -12.488 -2.121
143 H LEU 26 H LEU 26 8.624 -8.816 -4.348
144 HA LEU 26 HA LEU 26 10.497 -6.777 -5.437
145 1HB LEU 26 2HB LEU 26 8.552 -7.297 -7.447
146 2HB LEU 26 1HB LEU 26 10.254 -7.680 -7.507
147 HG LEU 26 HG LEU 26 8.257 -9.382 -6.096
148 1HD1 LEU 26 3HD1 LEU 26 8.991 -9.411 -9.076
149 2HD1 LEU 26 2HD1 LEU 26 8.254 -10.798 -8.302
150 3HD1 LEU 26 1HD1 LEU 26 7.386 -9.276 -8.377
151 1HD2 LEU 26 1HD2 LEU 26 10.850 -9.755 -5.852
152 2HD2 LEU 26 3HD2 LEU 26 9.992 -11.172 -6.445
153 3HD2 LEU 26 2HD2 LEU 26 10.879 -10.147 -7.555
154 H ASP 27 H ASP 27 7.197 -7.498 -4.628
155 HA ASP 27 HA ASP 27 6.688 -4.614 -4.508
156 1HB ASP 27 2HB ASP 27 5.615 -6.347 -6.684
157 2HB ASP 27 1HB ASP 27 4.398 -5.324 -5.949
158 H SER 28 H SER 28 4.265 -7.141 -4.736
159 HA SER 28 HA SER 28 3.660 -6.921 -1.829
160 1HB SER 28 2HB SER 28 1.992 -5.373 -1.881
161 2HB SER 28 1HB SER 28 2.757 -4.855 -3.367
162 HG SER 28 HG SER 28 1.210 -5.727 -4.522
163 H TYR 29 H TYR 29 0.850 -7.608 -2.722
164 HA TYR 29 HA TYR 29 1.453 -10.569 -3.013
165 1HB TYR 29 2HB TYR 29 -0.214 -10.512 -1.311
166 2HB TYR 29 1HB TYR 29 -0.854 -8.973 -1.887
167 HD1 TYR 29 HD2 TYR 29 -0.433 -12.439 -3.207
168 HD2 TYR 29 HD1 TYR 29 -3.087 -9.141 -2.800
169 HE1 TYR 29 HE2 TYR 29 -2.102 -13.614 -4.475
170 HE2 TYR 29 HE1 TYR 29 -4.773 -10.365 -4.053
171 HH TYR 29 HH TYR 29 -4.045 -13.497 -5.547
172 H THR 30 H THR 30 0.881 -11.799 -4.629
173 HA THR 30 HA THR 30 -0.727 -10.635 -6.742
174 HB THR 30 HB THR 30 1.866 -9.991 -6.629
175 HG1 THR 30 HG1 THR 30 0.725 -9.205 -8.335
176 1HG2 THR 30 1HG2 THR 30 2.578 -12.484 -6.981
177 2HG2 THR 30 3HG2 THR 30 1.883 -12.355 -8.591
178 3HG2 THR 30 2HG2 THR 30 3.225 -11.324 -8.138
179 H CYS 31 H CYS 31 -0.376 -12.312 -8.720
180 HA CYS 31 HA CYS 31 -0.676 -15.026 -7.471
181 1HB CYS 31 2HB CYS 31 -2.655 -13.453 -8.860
182 2HB CYS 31 1HB CYS 31 -2.246 -14.796 -9.877
183 H ASN 32 H ASN 32 0.003 -16.736 -8.803
184 HA ASN 32 HA ASN 32 1.899 -15.883 -11.005
185 1HB ASN 32 2HB ASN 32 2.941 -17.308 -9.133
186 2HB ASN 32 1HB ASN 32 1.782 -18.583 -9.522
187 1HD2 ASN 32 2HD2 ASN 32 4.383 -19.551 -11.805
188 2HD2 ASN 32 1HD2 ASN 32 3.771 -19.887 -10.248
189 H CYS 33 H CYS 33 0.941 -16.058 -12.821
190 HA CYS 33 HA CYS 33 -1.401 -17.783 -13.094
191 1HB CYS 33 2HB CYS 33 -0.312 -15.547 -14.859
192 2HB CYS 33 1HB CYS 33 -1.811 -16.367 -15.043
193 H VAL 34 H VAL 34 -1.526 -18.895 -15.256
194 HA VAL 34 HA VAL 34 0.803 -20.503 -15.456
195 HB VAL 34 HB VAL 34 -1.486 -21.348 -16.065
196 1HG1 VAL 34 1HG1 VAL 34 -1.745 -18.917 -17.314
197 2HG1 VAL 34 3HG1 VAL 34 -2.039 -20.137 -18.544
198 3HG1 VAL 34 2HG1 VAL 34 -2.911 -20.196 -17.025
199 1HG2 VAL 34 1HG2 VAL 34 0.413 -22.418 -17.409
200 2HG2 VAL 34 3HG2 VAL 34 -1.160 -22.451 -18.195
201 3HG2 VAL 34 2HG2 VAL 34 0.018 -21.281 -18.702
202 H ILE 35 H ILE 35 1.962 -20.928 -17.200
203 HA ILE 35 HA ILE 35 3.630 -18.937 -18.106
204 HB ILE 35 HB ILE 35 4.309 -21.199 -18.431
205 1HG1 ILE 35 2HG1 ILE 35 3.639 -20.548 -21.322
206 2HG1 ILE 35 1HG1 ILE 35 4.768 -19.534 -20.443
207 1HG2 ILE 35 3HG2 ILE 35 1.688 -21.545 -19.912
208 2HG2 ILE 35 2HG2 ILE 35 2.974 -22.721 -20.065
209 3HG2 ILE 35 1HG2 ILE 35 2.269 -22.423 -18.502
210 1HD1 ILE 35 3HD1 ILE 35 6.070 -21.675 -19.847
211 2HD1 ILE 35 2HD1 ILE 35 5.058 -22.513 -21.012
212 3HD1 ILE 35 1HD1 ILE 35 6.125 -21.227 -21.537
213 H GLY 36 H GLY 36 0.573 -19.674 -19.307
214 1HA GLY 36 2HA GLY 36 0.907 -17.926 -21.668
215 2HA GLY 36 1HA GLY 36 -0.449 -18.985 -21.420
216 H TYR 37 H TYR 37 -0.770 -17.962 -18.595
217 HA TYR 37 HA TYR 37 -2.253 -15.491 -19.357
218 1HB TYR 37 2HB TYR 37 -2.519 -17.087 -16.808
219 2HB TYR 37 1HB TYR 37 -3.647 -15.927 -17.491
220 HD1 TYR 37 HD1 TYR 37 -3.019 -17.483 -20.426
221 HD2 TYR 37 HD2 TYR 37 -4.613 -18.488 -16.630
222 HE1 TYR 37 HE1 TYR 37 -4.325 -19.245 -21.433
223 HE2 TYR 37 HE2 TYR 37 -5.949 -20.265 -17.673
224 HH TYR 37 HH TYR 37 -5.891 -21.633 -19.660
225 H SER 38 H SER 38 -1.264 -13.660 -18.964
226 HA SER 38 HA SER 38 0.565 -13.675 -16.610
227 1HB SER 38 2HB SER 38 1.876 -13.998 -18.695
228 2HB SER 38 1HB SER 38 1.212 -12.504 -19.375
229 HG SER 38 HG SER 38 3.182 -12.843 -17.517
230 H GLY 39 H GLY 39 1.277 -10.919 -17.701
231 1HA GLY 39 2HA GLY 39 0.655 -8.698 -17.348
232 2HA GLY 39 1HA GLY 39 -1.027 -9.212 -17.344
233 H ASP 40 H ASP 40 0.243 -11.164 -15.109
234 HA ASP 40 HA ASP 40 0.863 -10.943 -12.785
235 1HB ASP 40 2HB ASP 40 1.081 -8.354 -13.200
236 2HB ASP 40 1HB ASP 40 -0.595 -8.298 -12.700
237 H ARG 41 H ARG 41 -2.041 -10.984 -14.355
238 HA ARG 41 HA ARG 41 -3.447 -11.857 -11.926
239 1HB ARG 41 2HB ARG 41 -3.829 -9.310 -13.050
240 2HB ARG 41 1HB ARG 41 -5.075 -10.223 -13.821
241 1HG ARG 41 2HG ARG 41 -4.696 -10.568 -10.904
242 2HG ARG 41 1HG ARG 41 -5.250 -9.010 -11.491
243 1HD ARG 41 2HD ARG 41 -6.669 -11.014 -12.890
244 2HD ARG 41 1HD ARG 41 -6.728 -11.408 -11.214
245 HE ARG 41 HE ARG 41 -8.478 -9.675 -12.177
246 1HH1 ARG 41 2HH1 ARG 41 -6.274 -9.544 -9.654
247 2HH1 ARG 41 1HH1 ARG 41 -6.677 -7.944 -9.128
248 1HH2 ARG 41 1HH2 ARG 41 -8.780 -7.550 -11.935
249 2HH2 ARG 41 2HH2 ARG 41 -8.221 -6.705 -10.524
250 H CYS 42 H CYS 42 -2.514 -12.624 -14.899
251 HA CYS 42 HA CYS 42 -3.051 -14.198 -16.357
252 1HB CYS 42 2HB CYS 42 -5.413 -15.371 -14.938
253 2HB CYS 42 1HB CYS 42 -3.969 -16.184 -15.461
254 H GLN 43 H GLN 43 -4.129 -11.767 -16.288
255 HA GLN 43 HA GLN 43 -6.953 -11.849 -17.086
256 1HB GLN 43 2HB GLN 43 -6.615 -9.373 -17.292
257 2HB GLN 43 1HB GLN 43 -6.141 -9.982 -15.703
258 1HG GLN 43 2HG GLN 43 -3.829 -10.154 -17.378
259 2HG GLN 43 1HG GLN 43 -4.568 -8.586 -17.678
260 1HE2 GLN 43 2HE2 GLN 43 -2.263 -9.024 -14.607
261 2HE2 GLN 43 1HE2 GLN 43 -2.325 -10.121 -15.926
262 H THR 44 H THR 44 -3.899 -11.800 -18.419
263 HA THR 44 HA THR 44 -5.001 -11.447 -21.190
264 HB THR 44 HB THR 44 -3.245 -9.797 -20.205
265 HG1 THR 44 HG1 THR 44 -2.028 -10.799 -22.432
266 1HG2 THR 44 3HG2 THR 44 -1.826 -11.626 -19.207
267 2HG2 THR 44 2HG2 THR 44 -1.261 -11.980 -20.832
268 3HG2 THR 44 1HG2 THR 44 -0.973 -10.383 -20.120
269 H ARG 45 H ARG 45 -5.776 -13.448 -21.016
270 HA ARG 45 HA ARG 45 -4.193 -15.715 -20.247
271 1HB ARG 45 2HB ARG 45 -6.786 -15.584 -21.807
272 2HB ARG 45 1HB ARG 45 -6.179 -16.918 -20.873
273 1HG ARG 45 2HG ARG 45 -6.333 -15.664 -18.795
274 2HG ARG 45 1HG ARG 45 -6.802 -14.208 -19.648
275 1HD ARG 45 2HD ARG 45 -8.469 -16.711 -19.377
276 2HD ARG 45 1HD ARG 45 -8.882 -15.080 -18.848
277 HE ARG 45 HE ARG 45 -8.556 -15.870 -21.729
278 1HH1 ARG 45 2HH1 ARG 45 -9.683 -13.542 -19.521
279 2HH1 ARG 45 1HH1 ARG 45 -11.001 -13.047 -20.523
280 1HH2 ARG 45 1HH2 ARG 45 -10.287 -15.511 -22.898
281 2HH2 ARG 45 2HH2 ARG 45 -11.362 -14.194 -22.552
282 H ASP 46 H ASP 46 -2.429 -15.427 -21.551
283 HA ASP 46 HA ASP 46 -2.903 -15.297 -24.396
284 1HB ASP 46 2HB ASP 46 -0.755 -14.327 -23.115
285 2HB ASP 46 1HB ASP 46 -0.155 -15.972 -23.222
286 H LEU 47 H LEU 47 -4.207 -17.213 -23.986
287 HA LEU 47 HA LEU 47 -4.487 -19.534 -23.308
288 1HB LEU 47 2HB LEU 47 -4.706 -18.380 -25.964
289 2HB LEU 47 1HB LEU 47 -4.526 -20.108 -26.084
290 HG LEU 47 HG LEU 47 -6.408 -20.470 -24.510
291 1HD1 LEU 47 2HD1 LEU 47 -6.263 -17.453 -24.235
292 2HD1 LEU 47 1HD1 LEU 47 -7.834 -18.216 -24.135
293 3HD1 LEU 47 3HD1 LEU 47 -6.583 -18.656 -22.996
294 1HD2 LEU 47 1HD2 LEU 47 -6.847 -20.186 -26.988
295 2HD2 LEU 47 3HD2 LEU 47 -8.215 -19.757 -25.984
296 3HD2 LEU 47 2HD2 LEU 47 -7.222 -18.496 -26.693
297 H ARG 48 HN ARG 48 -1.487 -19.584 -23.077
298 HA ARG 48 HA ARG 48 -1.203 -22.363 -24.022
299 1HB ARG 48 2HB ARG 48 0.990 -21.902 -25.006
300 2HB ARG 48 1HB ARG 48 -0.168 -20.766 -25.660
301 1HG ARG 48 2HG ARG 48 0.693 -19.219 -23.633
302 2HG ARG 48 1HG ARG 48 2.060 -20.314 -23.705
303 1HD ARG 48 2HD ARG 48 1.864 -19.705 -26.384
304 2HD ARG 48 1HD ARG 48 1.109 -18.273 -25.710
305 HE ARG 48 HE ARG 48 3.653 -18.082 -25.947
306 1HH1 ARG 48 1HH1 ARG 48 2.276 -17.230 -23.425
307 2HH1 ARG 48 2HH1 ARG 48 3.344 -17.721 -22.160
308 1HH2 ARG 48 1HH2 ARG 48 5.056 -19.823 -24.512
309 2HH2 ARG 48 2HH2 ARG 48 5.059 -19.316 -22.854
No H/Q in entry = 309
Start of MODEL 9
1 1H PRO 4 1H PRO 4 1.543 -0.435 1.140
2 2H PRO 4 2H PRO 4 0.821 1.111 1.113
3 HA PRO 4 HA PRO 4 0.796 1.033 -1.086
4 1HB PRO 4 2HB PRO 4 3.624 0.381 -1.630
5 2HB PRO 4 1HB PRO 4 2.787 1.906 -1.928
6 1HG PRO 4 2HG PRO 4 4.662 1.478 0.086
7 2HG PRO 4 1HG PRO 4 3.509 2.809 0.057
8 1HD PRO 4 2HD PRO 4 3.502 0.345 1.712
9 2HD PRO 4 1HD PRO 4 2.685 1.883 2.007
10 H GLY 5 H GLY 5 0.425 -0.532 -2.713
11 1HA GLY 5 2HA GLY 5 1.140 -2.731 -3.695
12 2HA GLY 5 1HA GLY 5 1.297 -3.311 -2.035
13 1HN ABA 6 HN ABA 6 -0.243 -4.980 -3.041
14 HA ABA 6 HA ABA 6 -3.011 -4.071 -2.485
15 1HB ABA 6 1HB ABA 6 -3.277 -5.928 -4.577
16 2HB ABA 6 2HB ABA 6 -1.825 -5.077 -4.991
17 1HG ABA 6 1HG ABA 6 -3.681 -3.882 -6.002
18 2HG ABA 6 2HG ABA 6 -3.077 -2.887 -4.685
19 3HG ABA 6 3HG ABA 6 -4.543 -3.832 -4.474
20 HA PRO 7 HA PRO 7 -2.272 -8.482 -0.783
21 1HB PRO 7 2HB PRO 7 -1.802 -7.806 1.938
22 2HB PRO 7 1HB PRO 7 -0.592 -8.434 0.821
23 1HG PRO 7 2HG PRO 7 -0.821 -5.710 1.874
24 2HG PRO 7 1HG PRO 7 0.458 -6.388 0.891
25 1HD PRO 7 2HD PRO 7 -1.652 -4.565 0.031
26 2HD PRO 7 1HD PRO 7 -0.325 -5.232 -0.924
27 H SER 8 H SER 8 -3.349 -5.688 0.711
28 HA SER 8 HA SER 8 -5.196 -5.857 2.455
29 1HB SER 8 2HB SER 8 -5.903 -4.422 -0.126
30 2HB SER 8 1HB SER 8 -6.055 -3.833 1.536
31 HG SER 8 HG SER 8 -4.046 -3.182 1.373
32 H SER 9 H SER 9 -6.135 -6.710 -0.844
33 HA SER 9 HA SER 9 -8.238 -8.435 0.228
34 1HB SER 9 2HB SER 9 -9.569 -7.226 -1.931
35 2HB SER 9 1HB SER 9 -9.786 -6.719 -0.249
36 HG SER 9 HG SER 9 -8.343 -5.519 -2.283
37 H TYR 10 H TYR 10 -8.177 -10.305 -0.856
38 HA TYR 10 HA TYR 10 -6.883 -10.360 -3.471
39 1HB TYR 10 2HB TYR 10 -6.470 -12.896 -2.691
40 2HB TYR 10 1HB TYR 10 -5.402 -11.620 -2.176
41 HD1 TYR 10 HD1 TYR 10 -5.450 -10.670 0.025
42 HD2 TYR 10 HD2 TYR 10 -8.027 -13.901 -1.005
43 HE1 TYR 10 HE1 TYR 10 -5.883 -11.056 2.388
44 HE2 TYR 10 HE2 TYR 10 -8.464 -14.292 1.380
45 HH TYR 10 HH TYR 10 -6.780 -12.542 3.894
46 H ASP 11 H ASP 11 -9.822 -10.370 -2.360
47 HA ASP 11 HA ASP 11 -10.932 -12.779 -3.427
48 1HB ASP 11 2HB ASP 11 -12.159 -11.242 -1.773
49 2HB ASP 11 1HB ASP 11 -12.345 -10.082 -3.079
50 H GLY 12 H GLY 12 -11.643 -13.153 -5.485
51 1HA GLY 12 2HA GLY 12 -11.468 -13.007 -7.855
52 2HA GLY 12 1HA GLY 12 -12.353 -11.505 -7.586
53 H TYR 13 H TYR 13 -9.152 -12.224 -6.510
54 HA TYR 13 HA TYR 13 -8.064 -9.867 -7.915
55 1HB TYR 13 2HB TYR 13 -7.732 -10.331 -5.462
56 2HB TYR 13 1HB TYR 13 -6.775 -11.758 -5.871
57 HD1 TYR 13 HD1 TYR 13 -4.662 -11.414 -7.269
58 HD2 TYR 13 HD2 TYR 13 -6.741 -8.180 -5.441
59 HE1 TYR 13 HE1 TYR 13 -2.671 -10.045 -7.469
60 HE2 TYR 13 HE2 TYR 13 -4.744 -6.808 -5.637
61 HH TYR 13 HH TYR 13 -1.705 -8.041 -6.221
62 H CYS 14 H CYS 14 -8.074 -13.210 -8.352
63 HA CYS 14 HA CYS 14 -5.805 -13.044 -10.309
64 1HB CYS 14 2HB CYS 14 -6.855 -15.515 -8.921
65 2HB CYS 14 1HB CYS 14 -5.419 -15.313 -9.887
66 H LEU 15 H LEU 15 -6.309 -14.141 -12.380
67 HA LEU 15 HA LEU 15 -9.256 -14.299 -12.888
68 1HB LEU 15 2HB LEU 15 -7.098 -12.992 -14.271
69 2HB LEU 15 1HB LEU 15 -7.676 -14.242 -15.315
70 HG LEU 15 HG LEU 15 -10.088 -13.107 -14.605
71 1HD1 LEU 15 1HD1 LEU 15 -7.948 -10.918 -14.444
72 2HD1 LEU 15 3HD1 LEU 15 -9.624 -10.560 -14.754
73 3HD1 LEU 15 2HD1 LEU 15 -9.157 -11.311 -13.257
74 1HD2 LEU 15 3HD2 LEU 15 -8.447 -13.196 -16.955
75 2HD2 LEU 15 2HD2 LEU 15 -10.134 -12.736 -16.862
76 3HD2 LEU 15 1HD2 LEU 15 -8.887 -11.517 -16.755
77 H ASN 16 H ASN 16 -6.346 -15.996 -13.495
78 HA ASN 16 HA ASN 16 -7.875 -18.449 -14.102
79 1HB ASN 16 2HB ASN 16 -5.850 -17.208 -15.976
80 2HB ASN 16 1HB ASN 16 -6.071 -18.956 -15.897
81 1HD2 ASN 16 2HD2 ASN 16 -9.207 -16.828 -17.263
82 2HD2 ASN 16 1HD2 ASN 16 -8.159 -16.055 -16.169
83 H GLY 17 H GLY 17 -4.354 -18.201 -14.536
84 1HA GLY 17 2HA GLY 17 -3.821 -20.727 -13.323
85 2HA GLY 17 1HA GLY 17 -2.612 -19.503 -13.652
86 H GLY 18 H GLY 18 -4.251 -17.627 -12.247
87 1HA GLY 18 2HA GLY 18 -3.580 -16.491 -10.249
88 2HA GLY 18 1HA GLY 18 -5.094 -17.313 -9.966
89 H VAL 19 H VAL 19 -1.598 -18.058 -9.581
90 HA VAL 19 HA VAL 19 -2.390 -19.437 -7.103
91 HB VAL 19 HB VAL 19 -0.039 -19.417 -9.069
92 1HG1 VAL 19 3HG1 VAL 19 0.295 -20.028 -6.141
93 2HG1 VAL 19 2HG1 VAL 19 1.338 -20.760 -7.360
94 3HG1 VAL 19 1HG1 VAL 19 1.283 -19.016 -7.184
95 1HG2 VAL 19 3HG2 VAL 19 -1.430 -21.696 -7.609
96 2HG2 VAL 19 2HG2 VAL 19 -1.689 -21.195 -9.274
97 3HG2 VAL 19 1HG2 VAL 19 -0.154 -21.887 -8.803
98 1HN ABA 20 HN ABA 20 -2.898 -17.905 -5.892
99 HA ABA 20 HA ABA 20 -1.877 -15.296 -5.672
100 1HB ABA 20 1HB ABA 20 -3.426 -17.111 -3.801
101 2HB ABA 20 2HB ABA 20 -4.017 -15.974 -4.959
102 1HG ABA 20 1HG ABA 20 -2.215 -14.658 -2.966
103 2HG ABA 20 2HG ABA 20 -3.437 -15.579 -2.148
104 3HG ABA 20 3HG ABA 20 -3.916 -14.316 -3.255
105 H MET 21 H MET 21 0.296 -15.145 -5.510
106 HA MET 21 HA MET 21 1.522 -16.227 -3.014
107 1HB MET 21 2HB MET 21 3.671 -16.343 -4.264
108 2HB MET 21 1HB MET 21 2.462 -17.412 -4.934
109 1HG MET 21 2HG MET 21 2.031 -15.935 -6.780
110 2HG MET 21 1HG MET 21 3.012 -14.667 -6.113
111 1HE MET 21 3HE MET 21 5.692 -15.511 -5.383
112 2HE MET 21 2HE MET 21 5.444 -17.261 -5.328
113 3HE MET 21 1HE MET 21 6.581 -16.574 -6.476
114 H HIS 22 H HIS 22 2.050 -14.702 -1.664
115 HA HIS 22 HA HIS 22 1.888 -11.966 -2.357
116 1HB HIS 22 2HB HIS 22 1.683 -12.875 -0.098
117 2HB HIS 22 1HB HIS 22 3.438 -13.196 -0.109
118 HD1 HIS 22 HD1 HIS 22 3.028 -10.073 -1.745
119 HD2 HIS 22 HD2 HIS 22 2.900 -11.349 2.211
120 HE1 HIS 22 HE1 HIS 22 3.402 -8.140 -0.260
121 H ILE 23 H ILE 23 3.362 -10.874 -3.644
122 HA ILE 23 HA ILE 23 6.042 -11.992 -3.988
123 HB ILE 23 HB ILE 23 4.067 -11.320 -5.795
124 1HG1 ILE 23 2HG1 ILE 23 6.243 -11.034 -7.320
125 2HG1 ILE 23 1HG1 ILE 23 7.022 -11.713 -5.922
126 1HG2 ILE 23 1HG2 ILE 23 4.644 -8.847 -5.055
127 2HG2 ILE 23 3HG2 ILE 23 5.979 -9.015 -6.157
128 3HG2 ILE 23 2HG2 ILE 23 4.321 -9.172 -6.740
129 1HD1 ILE 23 1HD1 ILE 23 4.962 -13.452 -6.094
130 2HD1 ILE 23 3HD1 ILE 23 5.010 -12.957 -7.777
131 3HD1 ILE 23 2HD1 ILE 23 6.421 -13.685 -7.040
132 H GLU 24 H GLU 24 5.081 -10.285 -1.773
133 HA GLU 24 HA GLU 24 5.749 -7.649 -1.757
134 1HB GLU 24 2HB GLU 24 5.668 -9.634 0.330
135 2HB GLU 24 1HB GLU 24 7.287 -9.010 0.448
136 1HG GLU 24 2HG GLU 24 5.066 -6.951 0.271
137 2HG GLU 24 1HG GLU 24 5.283 -7.798 1.782
138 H SER 25 H SER 25 7.836 -10.224 -1.795
139 HA SER 25 HA SER 25 10.377 -9.526 -1.580
140 1HB SER 25 2HB SER 25 9.518 -10.980 -4.109
141 2HB SER 25 1HB SER 25 10.783 -11.478 -2.974
142 HG SER 25 HG SER 25 9.223 -12.558 -1.983
143 H LEU 26 H LEU 26 8.539 -8.885 -4.291
144 HA LEU 26 HA LEU 26 10.483 -6.902 -5.356
145 1HB LEU 26 2HB LEU 26 8.567 -7.368 -7.392
146 2HB LEU 26 1HB LEU 26 10.256 -7.809 -7.423
147 HG LEU 26 HG LEU 26 8.151 -9.419 -6.079
148 1HD1 LEU 26 1HD1 LEU 26 9.027 -9.477 -9.030
149 2HD1 LEU 26 3HD1 LEU 26 8.146 -10.811 -8.314
150 3HD1 LEU 26 2HD1 LEU 26 7.405 -9.225 -8.413
151 1HD2 LEU 26 2HD2 LEU 26 10.715 -9.913 -5.744
152 2HD2 LEU 26 1HD2 LEU 26 9.789 -11.293 -6.326
153 3HD2 LEU 26 3HD2 LEU 26 10.765 -10.351 -7.435
154 H ASP 27 H ASP 27 7.140 -7.570 -4.652
155 HA ASP 27 HA ASP 27 6.693 -4.666 -4.573
156 1HB ASP 27 2HB ASP 27 5.223 -6.510 -6.504
157 2HB ASP 27 1HB ASP 27 4.514 -4.985 -6.003
158 H SER 28 H SER 28 4.204 -7.076 -4.798
159 HA SER 28 HA SER 28 3.533 -6.814 -1.901
160 1HB SER 28 2HB SER 28 1.808 -5.361 -2.034
161 2HB SER 28 1HB SER 28 2.694 -4.746 -3.420
162 HG SER 28 HG SER 28 1.179 -5.480 -4.718
163 H TYR 29 H TYR 29 0.764 -7.479 -2.994
164 HA TYR 29 HA TYR 29 1.358 -10.429 -3.161
165 1HB TYR 29 2HB TYR 29 -0.305 -10.365 -1.491
166 2HB TYR 29 1HB TYR 29 -0.944 -8.838 -2.114
167 HD1 TYR 29 HD2 TYR 29 -0.532 -12.322 -3.525
168 HD2 TYR 29 HD1 TYR 29 -3.200 -9.071 -2.822
169 HE1 TYR 29 HE2 TYR 29 -2.287 -13.475 -4.713
170 HE2 TYR 29 HE1 TYR 29 -4.940 -10.260 -4.000
171 HH TYR 29 HH TYR 29 -4.340 -13.325 -5.648
172 H THR 30 H THR 30 0.953 -11.641 -4.770
173 HA THR 30 HA THR 30 -0.668 -10.568 -6.933
174 HB THR 30 HB THR 30 1.966 -9.991 -6.733
175 HG1 THR 30 HG1 THR 30 1.250 -10.460 -9.338
176 1HG2 THR 30 1HG2 THR 30 2.618 -12.445 -7.044
177 2HG2 THR 30 3HG2 THR 30 1.948 -12.390 -8.666
178 3HG2 THR 30 2HG2 THR 30 3.296 -11.342 -8.232
179 H CYS 31 H CYS 31 -0.426 -12.297 -8.773
180 HA CYS 31 HA CYS 31 -0.682 -14.970 -7.473
181 1HB CYS 31 2HB CYS 31 -2.645 -13.412 -8.887
182 2HB CYS 31 1HB CYS 31 -2.221 -14.745 -9.921
183 H ASN 32 H ASN 32 0.051 -16.705 -8.811
184 HA ASN 32 HA ASN 32 2.026 -15.866 -10.931
185 1HB ASN 32 2HB ASN 32 2.824 -17.251 -8.830
186 2HB ASN 32 1HB ASN 32 1.927 -18.592 -9.520
187 1HD2 ASN 32 2HD2 ASN 32 4.705 -19.301 -11.588
188 2HD2 ASN 32 1HD2 ASN 32 3.533 -19.922 -10.520
189 H CYS 33 H CYS 33 0.871 -15.816 -12.661
190 HA CYS 33 HA CYS 33 -1.222 -17.799 -13.136
191 1HB CYS 33 2HB CYS 33 -0.310 -15.496 -14.947
192 2HB CYS 33 1HB CYS 33 -1.754 -16.414 -15.013
193 H VAL 34 H VAL 34 -1.294 -18.990 -15.008
194 HA VAL 34 HA VAL 34 1.032 -20.447 -15.398
195 HB VAL 34 HB VAL 34 -1.365 -21.189 -15.791
196 1HG1 VAL 34 2HG1 VAL 34 -1.862 -19.096 -17.076
197 2HG1 VAL 34 1HG1 VAL 34 -1.396 -20.004 -18.504
198 3HG1 VAL 34 3HG1 VAL 34 -2.653 -20.618 -17.461
199 1HG2 VAL 34 2HG2 VAL 34 0.593 -22.517 -16.897
200 2HG2 VAL 34 1HG2 VAL 34 -1.030 -22.760 -17.526
201 3HG2 VAL 34 3HG2 VAL 34 0.076 -21.732 -18.392
202 H ILE 35 H ILE 35 2.001 -20.991 -17.239
203 HA ILE 35 HA ILE 35 3.601 -19.034 -18.487
204 HB ILE 35 HB ILE 35 4.343 -21.241 -18.566
205 1HG1 ILE 35 2HG1 ILE 35 4.341 -21.811 -21.073
206 2HG1 ILE 35 1HG1 ILE 35 3.415 -20.375 -21.340
207 1HG2 ILE 35 2HG2 ILE 35 1.641 -21.964 -19.726
208 2HG2 ILE 35 1HG2 ILE 35 3.007 -23.045 -19.853
209 3HG2 ILE 35 3HG2 ILE 35 2.416 -22.601 -18.276
210 1HD1 ILE 35 2HD1 ILE 35 6.135 -20.422 -19.922
211 2HD1 ILE 35 1HD1 ILE 35 5.894 -19.972 -21.602
212 3HD1 ILE 35 3HD1 ILE 35 5.199 -18.989 -20.326
213 H GLY 36 H GLY 36 0.439 -20.030 -19.163
214 1HA GLY 36 2HA GLY 36 0.361 -18.665 -21.769
215 2HA GLY 36 1HA GLY 36 -0.898 -19.700 -21.157
216 H TYR 37 H TYR 37 -0.529 -17.873 -18.643
217 HA TYR 37 HA TYR 37 -2.215 -15.572 -19.465
218 1HB TYR 37 2HB TYR 37 -2.558 -17.083 -16.889
219 2HB TYR 37 1HB TYR 37 -3.704 -16.007 -17.668
220 HD1 TYR 37 HD1 TYR 37 -3.501 -17.544 -20.508
221 HD2 TYR 37 HD2 TYR 37 -4.175 -18.834 -16.545
222 HE1 TYR 37 HE1 TYR 37 -4.735 -19.417 -21.361
223 HE2 TYR 37 HE2 TYR 37 -5.453 -20.743 -17.409
224 HH TYR 37 HH TYR 37 -5.760 -22.032 -19.398
225 H SER 38 H SER 38 -1.175 -13.720 -19.044
226 HA SER 38 HA SER 38 0.612 -13.801 -16.656
227 1HB SER 38 2HB SER 38 2.006 -14.160 -18.674
228 2HB SER 38 1HB SER 38 1.346 -12.706 -19.437
229 HG SER 38 HG SER 38 3.271 -12.908 -17.473
230 H GLY 39 H GLY 39 1.374 -11.022 -17.776
231 1HA GLY 39 2HA GLY 39 0.671 -8.800 -17.536
232 2HA GLY 39 1HA GLY 39 -0.993 -9.363 -17.438
233 H ASP 40 H ASP 40 0.293 -11.228 -15.230
234 HA ASP 40 HA ASP 40 1.087 -10.949 -12.963
235 1HB ASP 40 2HB ASP 40 1.240 -8.385 -13.344
236 2HB ASP 40 1HB ASP 40 -0.446 -8.347 -12.852
237 H ARG 41 H ARG 41 -1.957 -10.942 -14.353
238 HA ARG 41 HA ARG 41 -3.195 -11.899 -11.870
239 1HB ARG 41 2HB ARG 41 -3.623 -9.371 -12.776
240 2HB ARG 41 1HB ARG 41 -4.798 -10.182 -13.767
241 1HG ARG 41 2HG ARG 41 -4.710 -10.787 -10.881
242 2HG ARG 41 1HG ARG 41 -5.352 -9.246 -11.434
243 1HD ARG 41 2HD ARG 41 -6.438 -11.304 -13.061
244 2HD ARG 41 1HD ARG 41 -6.695 -11.693 -11.377
245 HE ARG 41 HE ARG 41 -7.549 -9.114 -12.564
246 1HH1 ARG 41 1HH2 ARG 41 -8.278 -8.157 -10.542
247 2HH1 ARG 41 2HH2 ARG 41 -9.562 -9.024 -9.733
248 1HH2 ARG 41 2HH1 ARG 41 -8.905 -11.940 -11.531
249 2HH2 ARG 41 1HH1 ARG 41 -9.904 -11.212 -10.321
250 H CYS 42 H CYS 42 -2.409 -12.516 -14.961
251 HA CYS 42 HA CYS 42 -2.926 -14.135 -16.396
252 1HB CYS 42 2HB CYS 42 -5.302 -15.336 -15.051
253 2HB CYS 42 1HB CYS 42 -3.836 -16.120 -15.555
254 H GLN 43 H GLN 43 -4.052 -11.630 -16.196
255 HA GLN 43 HA GLN 43 -6.878 -11.799 -16.992
256 1HB GLN 43 2HB GLN 43 -6.709 -9.322 -16.976
257 2HB GLN 43 1HB GLN 43 -6.064 -9.994 -15.480
258 1HG GLN 43 2HG GLN 43 -3.936 -9.833 -17.460
259 2HG GLN 43 1HG GLN 43 -4.772 -8.292 -17.355
260 1HE2 GLN 43 2HE2 GLN 43 -2.101 -9.143 -14.641
261 2HE2 GLN 43 1HE2 GLN 43 -2.278 -10.106 -16.052
262 H THR 44 H THR 44 -3.925 -11.955 -18.316
263 HA THR 44 HA THR 44 -4.912 -11.402 -21.083
264 HB THR 44 HB THR 44 -3.256 -9.811 -19.971
265 HG1 THR 44 HG1 THR 44 -1.919 -10.743 -22.181
266 1HG2 THR 44 1HG2 THR 44 -1.880 -11.626 -18.964
267 2HG2 THR 44 3HG2 THR 44 -1.103 -11.811 -20.527
268 3HG2 THR 44 2HG2 THR 44 -1.022 -10.264 -19.667
269 H ARG 45 H ARG 45 -5.677 -13.465 -21.034
270 HA ARG 45 HA ARG 45 -4.002 -15.730 -20.420
271 1HB ARG 45 2HB ARG 45 -6.475 -16.260 -22.056
272 2HB ARG 45 1HB ARG 45 -6.001 -16.887 -20.497
273 1HG ARG 45 2HG ARG 45 -6.608 -14.635 -19.495
274 2HG ARG 45 1HG ARG 45 -7.387 -14.286 -21.036
275 1HD ARG 45 2HD ARG 45 -8.121 -16.714 -19.325
276 2HD ARG 45 1HD ARG 45 -8.951 -15.168 -19.222
277 HE ARG 45 HE ARG 45 -9.483 -15.493 -21.704
278 1HH1 ARG 45 2HH1 ARG 45 -7.745 -18.054 -21.069
279 2HH1 ARG 45 1HH1 ARG 45 -8.928 -19.298 -21.322
280 1HH2 ARG 45 1HH2 ARG 45 -11.488 -16.860 -21.349
281 2HH2 ARG 45 2HH2 ARG 45 -11.236 -18.565 -21.495
282 H ASP 46 H ASP 46 -2.313 -15.389 -21.684
283 HA ASP 46 HA ASP 46 -2.374 -14.727 -24.490
284 1HB ASP 46 2HB ASP 46 -0.309 -14.604 -22.966
285 2HB ASP 46 1HB ASP 46 -0.199 -16.353 -23.047
286 H LEU 47 H LEU 47 -2.960 -17.510 -22.759
287 HA LEU 47 HA LEU 47 -3.862 -19.570 -23.272
288 1HB LEU 47 2HB LEU 47 -4.392 -17.990 -25.675
289 2HB LEU 47 1HB LEU 47 -3.929 -19.582 -26.193
290 HG LEU 47 HG LEU 47 -6.335 -19.500 -25.939
291 1HD1 LEU 47 1HD1 LEU 47 -4.873 -21.521 -24.965
292 2HD1 LEU 47 3HD1 LEU 47 -5.622 -21.045 -23.449
293 3HD1 LEU 47 2HD1 LEU 47 -6.620 -21.507 -24.811
294 1HD2 LEU 47 2HD2 LEU 47 -6.174 -17.570 -24.157
295 2HD2 LEU 47 1HD2 LEU 47 -7.516 -18.692 -24.077
296 3HD2 LEU 47 3HD2 LEU 47 -6.166 -18.862 -22.974
297 H ARG 48 HN ARG 48 -0.965 -19.004 -23.289
298 HA ARG 48 HA ARG 48 -0.011 -21.178 -25.051
299 1HB ARG 48 2HB ARG 48 1.090 -18.604 -24.229
300 2HB ARG 48 1HB ARG 48 2.223 -19.843 -23.749
301 1HG ARG 48 2HG ARG 48 2.363 -20.726 -25.975
302 2HG ARG 48 1HG ARG 48 1.022 -19.748 -26.541
303 1HD ARG 48 2HD ARG 48 2.260 -17.767 -26.600
304 2HD ARG 48 1HD ARG 48 3.388 -18.273 -25.357
305 HE ARG 48 HE ARG 48 4.460 -18.302 -27.624
306 1HH1 ARG 48 1HH2 ARG 48 5.047 -20.812 -26.417
307 2HH1 ARG 48 2HH2 ARG 48 4.629 -21.991 -27.614
308 1HH2 ARG 48 1HH1 ARG 48 2.634 -19.598 -29.303
309 2HH2 ARG 48 2HH1 ARG 48 3.163 -21.241 -29.402
No H/Q in entry = 309
Start of MODEL 10
1 1H PRO 4 1H PRO 4 1.069 0.805 -1.641
2 2H PRO 4 2H PRO 4 0.942 1.931 -2.909
3 HA PRO 4 HA PRO 4 2.135 0.618 -4.215
4 1HB PRO 4 2HB PRO 4 4.575 0.068 -2.985
5 2HB PRO 4 1HB PRO 4 4.219 1.584 -3.822
6 1HG PRO 4 2HG PRO 4 4.054 0.973 -0.860
7 2HG PRO 4 1HG PRO 4 4.672 2.421 -1.653
8 1HD PRO 4 2HD PRO 4 2.187 2.389 -0.572
9 2HD PRO 4 1HD PRO 4 2.501 3.268 -2.073
10 H GLY 5 H GLY 5 0.639 -1.124 -3.957
11 1HA GLY 5 2HA GLY 5 1.357 -3.647 -3.825
12 2HA GLY 5 1HA GLY 5 1.456 -3.288 -2.097
13 1HN ABA 6 HN ABA 6 -0.199 -5.229 -3.283
14 HA ABA 6 HA ABA 6 -2.866 -4.102 -2.543
15 1HB ABA 6 1HB ABA 6 -2.987 -6.351 -4.429
16 2HB ABA 6 2HB ABA 6 -2.069 -5.030 -5.084
17 1HG ABA 6 1HG ABA 6 -4.854 -4.680 -3.871
18 2HG ABA 6 2HG ABA 6 -4.567 -4.892 -5.585
19 3HG ABA 6 3HG ABA 6 -3.949 -3.470 -4.763
20 HA PRO 7 HA PRO 7 -2.467 -8.389 -0.571
21 1HB PRO 7 2HB PRO 7 -1.157 -8.217 1.714
22 2HB PRO 7 1HB PRO 7 -0.236 -8.281 0.217
23 1HG PRO 7 2HG PRO 7 -0.863 -5.844 1.909
24 2HG PRO 7 1HG PRO 7 0.612 -6.202 1.024
25 1HD PRO 7 2HD PRO 7 -1.505 -4.536 0.075
26 2HD PRO 7 1HD PRO 7 -0.252 -5.256 -0.952
27 H SER 8 H SER 8 -4.003 -5.851 -0.236
28 HA SER 8 HA SER 8 -5.333 -6.271 2.388
29 1HB SER 8 2HB SER 8 -4.986 -3.952 0.532
30 2HB SER 8 1HB SER 8 -6.639 -4.119 1.124
31 HG SER 8 HG SER 8 -5.919 -3.450 3.002
32 H SER 9 H SER 9 -5.752 -6.887 -1.006
33 HA SER 9 HA SER 9 -8.273 -8.239 -0.365
34 1HB SER 9 2HB SER 9 -8.761 -5.752 -1.146
35 2HB SER 9 1HB SER 9 -8.264 -6.315 -2.746
36 HG SER 9 HG SER 9 -10.191 -7.133 -2.853
37 H TYR 10 H TYR 10 -8.081 -10.225 -1.282
38 HA TYR 10 HA TYR 10 -6.569 -10.426 -3.765
39 1HB TYR 10 2HB TYR 10 -6.113 -12.848 -2.817
40 2HB TYR 10 1HB TYR 10 -5.170 -11.529 -2.154
41 HD1 TYR 10 HD1 TYR 10 -8.209 -13.538 -1.582
42 HD2 TYR 10 HD2 TYR 10 -5.254 -11.052 0.215
43 HE1 TYR 10 HE1 TYR 10 -9.070 -14.122 0.642
44 HE2 TYR 10 HE2 TYR 10 -6.119 -11.643 2.430
45 HH TYR 10 HH TYR 10 -7.466 -13.766 3.384
46 H ASP 11 H ASP 11 -9.317 -9.927 -3.281
47 HA ASP 11 HA ASP 11 -10.641 -12.357 -4.165
48 1HB ASP 11 2HB ASP 11 -11.742 -9.675 -3.189
49 2HB ASP 11 1HB ASP 11 -12.731 -11.072 -3.580
50 H GLY 12 H GLY 12 -11.381 -12.446 -6.293
51 1HA GLY 12 2HA GLY 12 -11.580 -11.793 -8.568
52 2HA GLY 12 1HA GLY 12 -11.939 -10.170 -7.951
53 H TYR 13 H TYR 13 -9.113 -11.756 -6.982
54 HA TYR 13 HA TYR 13 -7.421 -9.788 -8.364
55 1HB TYR 13 2HB TYR 13 -7.332 -10.398 -5.840
56 2HB TYR 13 1HB TYR 13 -6.552 -11.903 -6.330
57 HD1 TYR 13 HD2 TYR 13 -4.402 -11.719 -7.749
58 HD2 TYR 13 HD1 TYR 13 -6.119 -8.342 -5.761
59 HE1 TYR 13 HE2 TYR 13 -2.305 -10.514 -7.971
60 HE2 TYR 13 HE1 TYR 13 -3.997 -7.152 -6.013
61 HH TYR 13 HH TYR 13 -1.537 -8.196 -8.079
62 H CYS 14 H CYS 14 -8.111 -13.154 -8.530
63 HA CYS 14 HA CYS 14 -6.030 -13.439 -10.648
64 1HB CYS 14 2HB CYS 14 -6.928 -15.561 -8.639
65 2HB CYS 14 1HB CYS 14 -5.658 -15.672 -9.748
66 H LEU 15 H LEU 15 -6.636 -14.664 -12.397
67 HA LEU 15 HA LEU 15 -9.565 -14.995 -12.821
68 1HB LEU 15 2HB LEU 15 -7.623 -13.530 -14.208
69 2HB LEU 15 1HB LEU 15 -7.873 -14.891 -15.228
70 HG LEU 15 HG LEU 15 -10.451 -13.683 -14.486
71 1HD1 LEU 15 2HD1 LEU 15 -8.160 -11.882 -15.408
72 2HD1 LEU 15 1HD1 LEU 15 -9.791 -11.501 -15.905
73 3HD1 LEU 15 3HD1 LEU 15 -9.379 -11.545 -14.211
74 1HD2 LEU 15 1HD2 LEU 15 -8.833 -14.093 -17.058
75 2HD2 LEU 15 3HD2 LEU 15 -10.248 -14.994 -16.520
76 3HD2 LEU 15 2HD2 LEU 15 -10.410 -13.340 -17.068
77 H ASN 16 H ASN 16 -6.590 -16.616 -13.436
78 HA ASN 16 HA ASN 16 -8.035 -19.151 -13.779
79 1HB ASN 16 2HB ASN 16 -6.203 -18.159 -15.994
80 2HB ASN 16 1HB ASN 16 -6.988 -19.731 -15.945
81 1HD2 ASN 16 2HD2 ASN 16 -9.086 -16.495 -17.068
82 2HD2 ASN 16 1HD2 ASN 16 -7.510 -16.274 -16.478
83 H GLY 17 H GLY 17 -4.589 -18.133 -14.308
84 1HA GLY 17 2HA GLY 17 -3.689 -20.622 -12.982
85 2HA GLY 17 1HA GLY 17 -2.773 -19.641 -14.098
86 H GLY 18 H GLY 18 -4.688 -17.909 -12.027
87 1HA GLY 18 2HA GLY 18 -2.488 -16.482 -10.871
88 2HA GLY 18 1HA GLY 18 -4.129 -16.210 -10.529
89 H VAL 19 H VAL 19 -1.322 -17.752 -9.776
90 HA VAL 19 HA VAL 19 -2.314 -19.123 -7.376
91 HB VAL 19 HB VAL 19 0.168 -19.097 -9.146
92 1HG1 VAL 19 2HG1 VAL 19 0.356 -19.688 -6.191
93 2HG1 VAL 19 1HG1 VAL 19 1.471 -20.398 -7.357
94 3HG1 VAL 19 3HG1 VAL 19 1.379 -18.661 -7.183
95 1HG2 VAL 19 2HG2 VAL 19 -1.505 -20.847 -9.395
96 2HG2 VAL 19 1HG2 VAL 19 0.030 -21.544 -8.905
97 3HG2 VAL 19 3HG2 VAL 19 -1.265 -21.360 -7.725
98 1HN ABA 20 HN ABA 20 -2.795 -17.738 -5.972
99 HA ABA 20 HA ABA 20 -1.773 -15.149 -5.608
100 1HB ABA 20 1HB ABA 20 -3.278 -17.081 -3.816
101 2HB ABA 20 2HB ABA 20 -3.921 -15.889 -4.909
102 1HG ABA 20 1HG ABA 20 -3.423 -15.569 -2.110
103 2HG ABA 20 2HG ABA 20 -3.747 -14.247 -3.209
104 3HG ABA 20 3HG ABA 20 -2.096 -14.707 -2.823
105 H MET 21 H MET 21 0.393 -15.141 -5.553
106 HA MET 21 HA MET 21 1.702 -16.350 -3.155
107 1HB MET 21 2HB MET 21 3.757 -16.577 -4.470
108 2HB MET 21 1HB MET 21 2.446 -17.330 -5.334
109 1HG MET 21 2HG MET 21 2.321 -15.534 -6.915
110 2HG MET 21 1HG MET 21 3.402 -14.535 -5.966
111 1HE MET 21 1HE MET 21 4.023 -14.083 -8.348
112 2HE MET 21 3HE MET 21 5.700 -14.542 -8.643
113 3HE MET 21 2HE MET 21 4.416 -15.352 -9.503
114 H HIS 22 H HIS 22 2.562 -15.025 -1.781
115 HA HIS 22 HA HIS 22 2.277 -12.200 -2.150
116 1HB HIS 22 2HB HIS 22 2.121 -13.444 0.030
117 2HB HIS 22 1HB HIS 22 3.891 -13.565 -0.021
118 HD1 HIS 22 HD1 HIS 22 3.407 -10.372 -1.371
119 HD2 HIS 22 HD2 HIS 22 2.922 -11.982 2.437
120 HE1 HIS 22 HE1 HIS 22 3.502 -8.565 0.272
121 H ILE 23 H ILE 23 3.684 -10.949 -3.306
122 HA ILE 23 HA ILE 23 6.395 -11.936 -3.688
123 HB ILE 23 HB ILE 23 4.426 -11.176 -5.462
124 1HG1 ILE 23 2HG1 ILE 23 6.659 -10.671 -6.892
125 2HG1 ILE 23 1HG1 ILE 23 7.338 -11.587 -5.574
126 1HG2 ILE 23 1HG2 ILE 23 4.847 -8.777 -4.556
127 2HG2 ILE 23 3HG2 ILE 23 6.255 -8.797 -5.585
128 3HG2 ILE 23 2HG2 ILE 23 4.648 -8.994 -6.281
129 1HD1 ILE 23 3HD1 ILE 23 5.120 -13.132 -6.227
130 2HD1 ILE 23 2HD1 ILE 23 5.562 -12.465 -7.789
131 3HD1 ILE 23 1HD1 ILE 23 6.718 -13.403 -6.876
132 H GLU 24 H GLU 24 5.367 -10.430 -1.350
133 HA GLU 24 HA GLU 24 6.011 -7.740 -1.195
134 1HB GLU 24 2HB GLU 24 5.812 -9.817 0.791
135 2HB GLU 24 1HB GLU 24 7.386 -9.114 1.055
136 1HG GLU 24 2HG GLU 24 4.984 -7.251 0.744
137 2HG GLU 24 1HG GLU 24 5.336 -7.998 2.289
138 H SER 25 H SER 25 8.031 -10.363 -1.361
139 HA SER 25 HA SER 25 10.573 -9.726 -0.955
140 1HB SER 25 2HB SER 25 9.708 -10.961 -3.604
141 2HB SER 25 1HB SER 25 11.034 -11.526 -2.571
142 HG SER 25 HG SER 25 9.555 -12.662 -1.520
143 H LEU 26 H LEU 26 8.812 -8.777 -3.611
144 HA LEU 26 HA LEU 26 10.818 -6.759 -4.462
145 1HB LEU 26 2HB LEU 26 8.980 -7.078 -6.593
146 2HB LEU 26 1HB LEU 26 10.669 -7.519 -6.602
147 HG LEU 26 HG LEU 26 8.538 -9.233 -5.427
148 1HD1 LEU 26 3HD1 LEU 26 9.370 -8.927 -8.354
149 2HD1 LEU 26 2HD1 LEU 26 8.609 -10.400 -7.798
150 3HD1 LEU 26 1HD1 LEU 26 7.747 -8.875 -7.694
151 1HD2 LEU 26 1HD2 LEU 26 11.071 -9.782 -5.113
152 2HD2 LEU 26 3HD2 LEU 26 10.181 -11.080 -5.894
153 3HD2 LEU 26 2HD2 LEU 26 11.172 -9.995 -6.846
154 H ASP 27 H ASP 27 7.487 -7.491 -4.009
155 HA ASP 27 HA ASP 27 6.930 -4.616 -3.745
156 1HB ASP 27 2HB ASP 27 5.594 -6.405 -5.802
157 2HB ASP 27 1HB ASP 27 4.821 -4.928 -5.258
158 H SER 28 H SER 28 4.494 -7.049 -4.210
159 HA SER 28 HA SER 28 3.729 -6.952 -1.321
160 1HB SER 28 2HB SER 28 1.763 -5.744 -1.556
161 2HB SER 28 1HB SER 28 2.841 -4.891 -2.643
162 HG SER 28 HG SER 28 1.805 -6.721 -4.208
163 H TYR 29 H TYR 29 1.041 -7.648 -2.517
164 HA TYR 29 HA TYR 29 1.650 -10.591 -2.753
165 1HB TYR 29 2HB TYR 29 -0.122 -10.548 -1.178
166 2HB TYR 29 1HB TYR 29 -0.696 -8.969 -1.728
167 HD1 TYR 29 HD1 TYR 29 -0.293 -12.415 -3.135
168 HD2 TYR 29 HD2 TYR 29 -2.811 -8.986 -2.771
169 HE1 TYR 29 HE1 TYR 29 -1.989 -13.475 -4.512
170 HE2 TYR 29 HE2 TYR 29 -4.492 -10.083 -4.124
171 HH TYR 29 HH TYR 29 -4.804 -11.854 -5.585
172 H THR 30 H THR 30 1.072 -11.742 -4.515
173 HA THR 30 HA THR 30 -0.247 -10.328 -6.714
174 HB THR 30 HB THR 30 2.396 -9.976 -6.312
175 HG1 THR 30 HG1 THR 30 1.814 -10.339 -8.989
176 1HG2 THR 30 2HG2 THR 30 2.915 -12.413 -6.677
177 2HG2 THR 30 1HG2 THR 30 2.376 -12.268 -8.344
178 3HG2 THR 30 3HG2 THR 30 3.750 -11.321 -7.770
179 H CYS 31 H CYS 31 -0.263 -11.933 -8.731
180 HA CYS 31 HA CYS 31 -0.671 -14.707 -7.685
181 1HB CYS 31 2HB CYS 31 -2.606 -12.990 -9.005
182 2HB CYS 31 1HB CYS 31 -2.218 -14.271 -10.112
183 H ASN 32 H ASN 32 0.352 -16.293 -8.822
184 HA ASN 32 HA ASN 32 2.256 -15.430 -10.941
185 1HB ASN 32 2HB ASN 32 3.076 -16.861 -9.048
186 2HB ASN 32 1HB ASN 32 2.038 -18.148 -9.608
187 1HD2 ASN 32 2HD2 ASN 32 4.425 -19.170 -11.978
188 2HD2 ASN 32 1HD2 ASN 32 3.159 -19.609 -10.928
189 H CYS 33 H CYS 33 0.401 -15.162 -12.522
190 HA CYS 33 HA CYS 33 -1.144 -17.351 -13.367
191 1HB CYS 33 2HB CYS 33 -0.266 -15.033 -15.165
192 2HB CYS 33 1HB CYS 33 -1.585 -16.104 -15.308
193 H VAL 34 H VAL 34 -0.962 -18.725 -14.948
194 HA VAL 34 HA VAL 34 1.468 -20.013 -15.383
195 HB VAL 34 HB VAL 34 -0.854 -20.960 -15.490
196 1HG1 VAL 34 3HG1 VAL 34 -1.593 -19.033 -17.073
197 2HG1 VAL 34 2HG1 VAL 34 -1.193 -20.174 -18.340
198 3HG1 VAL 34 1HG1 VAL 34 -2.343 -20.623 -17.113
199 1HG2 VAL 34 1HG2 VAL 34 1.070 -22.243 -16.562
200 2HG2 VAL 34 3HG2 VAL 34 -0.557 -22.621 -17.115
201 3HG2 VAL 34 2HG2 VAL 34 0.474 -21.627 -18.109
202 H ILE 35 H ILE 35 2.353 -20.658 -17.242
203 HA ILE 35 HA ILE 35 3.669 -18.670 -18.750
204 HB ILE 35 HB ILE 35 4.616 -20.837 -18.676
205 1HG1 ILE 35 2HG1 ILE 35 3.537 -21.053 -21.488
206 2HG1 ILE 35 1HG1 ILE 35 4.464 -19.634 -21.067
207 1HG2 ILE 35 1HG2 ILE 35 1.942 -21.894 -19.663
208 2HG2 ILE 35 3HG2 ILE 35 3.394 -22.873 -19.682
209 3HG2 ILE 35 2HG2 ILE 35 2.779 -22.288 -18.160
210 1HD1 ILE 35 3HD1 ILE 35 6.267 -21.255 -20.130
211 2HD1 ILE 35 2HD1 ILE 35 5.400 -22.530 -20.974
212 3HD1 ILE 35 1HD1 ILE 35 6.091 -21.189 -21.872
213 H GLY 36 H GLY 36 0.602 -19.945 -19.075
214 1HA GLY 36 2HA GLY 36 0.162 -18.887 -21.783
215 2HA GLY 36 1HA GLY 36 -0.944 -19.937 -20.940
216 H TYR 37 H TYR 37 -0.571 -17.952 -18.578
217 HA TYR 37 HA TYR 37 -2.407 -15.789 -19.512
218 1HB TYR 37 2HB TYR 37 -2.534 -17.002 -16.748
219 2HB TYR 37 1HB TYR 37 -3.764 -16.088 -17.603
220 HD1 TYR 37 HD1 TYR 37 -3.531 -17.921 -20.215
221 HD2 TYR 37 HD2 TYR 37 -4.050 -18.781 -16.107
222 HE1 TYR 37 HE1 TYR 37 -4.633 -19.963 -20.809
223 HE2 TYR 37 HE2 TYR 37 -5.191 -20.860 -16.707
224 HH TYR 37 HH TYR 37 -5.273 -22.424 -18.662
225 H SER 38 H SER 38 -1.741 -13.832 -19.133
226 HA SER 38 HA SER 38 0.463 -13.521 -17.113
227 1HB SER 38 2HB SER 38 0.650 -11.639 -19.435
228 2HB SER 38 1HB SER 38 1.874 -12.726 -18.775
229 HG SER 38 HG SER 38 0.426 -14.428 -19.729
230 H GLY 39 H GLY 39 0.874 -10.789 -17.429
231 1HA GLY 39 2HA GLY 39 -0.037 -8.657 -16.970
232 2HA GLY 39 1HA GLY 39 -1.629 -9.364 -16.772
233 H ASP 40 H ASP 40 -1.147 -11.265 -15.035
234 HA ASP 40 HA ASP 40 -0.073 -11.649 -12.752
235 1HB ASP 40 2HB ASP 40 0.635 -9.196 -12.453
236 2HB ASP 40 1HB ASP 40 -1.066 -8.799 -12.255
237 H ARG 41 H ARG 41 -2.829 -10.985 -14.282
238 HA ARG 41 HA ARG 41 -4.560 -11.743 -11.970
239 1HB ARG 41 2HB ARG 41 -4.781 -9.474 -13.628
240 2HB ARG 41 1HB ARG 41 -5.930 -10.574 -14.354
241 1HG ARG 41 2HG ARG 41 -5.873 -10.019 -11.393
242 2HG ARG 41 1HG ARG 41 -6.793 -9.018 -12.486
243 1HD ARG 41 2HD ARG 41 -7.406 -11.695 -13.124
244 2HD ARG 41 1HD ARG 41 -7.423 -11.533 -11.380
245 HE ARG 41 HE ARG 41 -8.832 -9.426 -12.866
246 1HH1 ARG 41 1HH2 ARG 41 -9.045 -12.390 -11.132
247 2HH1 ARG 41 2HH2 ARG 41 -10.707 -12.204 -10.739
248 1HH2 ARG 41 2HH1 ARG 41 -10.866 -9.131 -12.428
249 2HH2 ARG 41 1HH1 ARG 41 -11.806 -10.251 -11.503
250 H CYS 42 H CYS 42 -3.534 -12.267 -15.175
251 HA CYS 42 HA CYS 42 -3.523 -14.112 -16.470
252 1HB CYS 42 2HB CYS 42 -5.722 -15.404 -14.876
253 2HB CYS 42 1HB CYS 42 -4.429 -16.193 -15.729
254 H GLN 43 H GLN 43 -4.896 -11.925 -16.626
255 HA GLN 43 HA GLN 43 -7.644 -12.306 -17.654
256 1HB GLN 43 2HB GLN 43 -7.328 -9.717 -18.100
257 2HB GLN 43 1HB GLN 43 -7.452 -10.210 -16.435
258 1HG GLN 43 2HG GLN 43 -5.465 -8.759 -16.394
259 2HG GLN 43 1HG GLN 43 -4.735 -10.274 -16.540
260 1HE2 GLN 43 2HE2 GLN 43 -3.130 -9.084 -19.248
261 2HE2 GLN 43 1HE2 GLN 43 -3.135 -9.950 -17.782
262 H THR 44 H THR 44 -4.453 -12.123 -18.655
263 HA THR 44 HA THR 44 -5.225 -11.946 -21.550
264 HB THR 44 HB THR 44 -3.543 -10.276 -21.225
265 HG1 THR 44 HG1 THR 44 -2.139 -12.674 -21.832
266 1HG2 THR 44 2HG2 THR 44 -2.840 -11.496 -18.898
267 2HG2 THR 44 1HG2 THR 44 -1.550 -12.061 -19.928
268 3HG2 THR 44 3HG2 THR 44 -1.799 -10.340 -19.702
269 H ARG 45 H ARG 45 -5.982 -14.078 -21.341
270 HA ARG 45 HA ARG 45 -4.149 -16.152 -20.496
271 1HB ARG 45 2HB ARG 45 -6.509 -16.859 -22.223
272 2HB ARG 45 1HB ARG 45 -5.975 -17.513 -20.702
273 1HG ARG 45 2HG ARG 45 -6.790 -15.138 -19.755
274 2HG ARG 45 1HG ARG 45 -7.788 -15.247 -21.189
275 1HD ARG 45 2HD ARG 45 -7.652 -17.060 -18.766
276 2HD ARG 45 1HD ARG 45 -9.102 -16.322 -19.449
277 HE ARG 45 HE ARG 45 -8.804 -17.954 -21.368
278 1HH1 ARG 45 1HH2 ARG 45 -6.745 -19.450 -21.452
279 2HH1 ARG 45 2HH2 ARG 45 -6.850 -20.756 -20.307
280 1HH2 ARG 45 2HH1 ARG 45 -9.363 -19.100 -18.471
281 2HH2 ARG 45 1HH1 ARG 45 -8.402 -20.529 -18.569
282 H ASP 46 H ASP 46 -2.496 -15.647 -21.671
283 HA ASP 46 HA ASP 46 -2.403 -14.901 -24.391
284 1HB ASP 46 2HB ASP 46 -0.497 -14.832 -22.601
285 2HB ASP 46 1HB ASP 46 -0.184 -16.504 -23.023
286 H LEU 47 H LEU 47 -2.830 -17.760 -22.753
287 HA LEU 47 HA LEU 47 -3.382 -19.923 -23.167
288 1HB LEU 47 2HB LEU 47 -4.101 -18.538 -25.763
289 2HB LEU 47 1HB LEU 47 -4.174 -20.283 -25.743
290 HG LEU 47 HG LEU 47 -5.417 -18.909 -23.364
291 1HD1 LEU 47 3HD1 LEU 47 -6.512 -18.573 -26.160
292 2HD1 LEU 47 2HD1 LEU 47 -7.584 -18.607 -24.774
293 3HD1 LEU 47 1HD1 LEU 47 -6.339 -17.378 -24.888
294 1HD2 LEU 47 1HD2 LEU 47 -5.478 -21.405 -23.716
295 2HD2 LEU 47 3HD2 LEU 47 -7.094 -20.723 -23.666
296 3HD2 LEU 47 2HD2 LEU 47 -6.371 -21.155 -25.203
297 H ARG 48 HN ARG 48 -0.657 -18.777 -24.179
298 HA ARG 48 HA ARG 48 0.276 -21.386 -25.207
299 1HB ARG 48 2HB ARG 48 1.958 -19.993 -26.637
300 2HB ARG 48 1HB ARG 48 0.290 -19.993 -27.134
301 1HG ARG 48 2HG ARG 48 0.557 -17.748 -27.271
302 2HG ARG 48 1HG ARG 48 0.188 -17.765 -25.575
303 1HD ARG 48 2HD ARG 48 2.410 -17.362 -24.940
304 2HD ARG 48 1HD ARG 48 3.076 -18.147 -26.365
305 HE ARG 48 HE ARG 48 1.730 -15.472 -26.485
306 1HH1 ARG 48 1HH2 ARG 48 2.074 -15.869 -29.054
307 2HH1 ARG 48 2HH2 ARG 48 3.738 -15.687 -29.470
308 1HH2 ARG 48 1HH1 ARG 48 4.648 -16.076 -26.060
309 2HH2 ARG 48 2HH1 ARG 48 5.338 -15.814 -27.625
No H/Q in entry = 309
Start of MODEL 11
1 1H PRO 4 1H PRO 4 -0.185 0.428 -2.772
2 2H PRO 4 2H PRO 4 0.059 1.775 -3.783
3 HA PRO 4 HA PRO 4 1.804 0.759 -4.686
4 1HB PRO 4 2HB PRO 4 3.695 0.266 -2.730
5 2HB PRO 4 1HB PRO 4 3.363 1.888 -3.338
6 1HG PRO 4 2HG PRO 4 2.227 0.532 -0.874
7 2HG PRO 4 1HG PRO 4 2.887 2.163 -1.011
8 1HD PRO 4 2HD PRO 4 0.218 1.782 -1.085
9 2HD PRO 4 1HD PRO 4 0.965 2.984 -2.144
10 H GLY 5 H GLY 5 -0.249 -1.002 -4.317
11 1HA GLY 5 2HA GLY 5 0.473 -3.474 -4.866
12 2HA GLY 5 1HA GLY 5 0.959 -3.452 -3.168
13 1HN ABA 6 HN ABA 6 -0.682 -5.381 -3.529
14 HA ABA 6 HA ABA 6 -3.254 -4.317 -2.514
15 1HB ABA 6 1HB ABA 6 -3.758 -6.670 -4.123
16 2HB ABA 6 2HB ABA 6 -2.765 -5.601 -5.063
17 1HG ABA 6 1HG ABA 6 -4.851 -4.677 -5.594
18 2HG ABA 6 2HG ABA 6 -4.543 -3.730 -4.157
19 3HG ABA 6 3HG ABA 6 -5.572 -5.152 -4.066
20 HA PRO 7 HA PRO 7 -2.387 -8.435 -0.382
21 1HB PRO 7 2HB PRO 7 -0.776 -7.968 1.748
22 2HB PRO 7 1HB PRO 7 -0.136 -8.316 0.149
23 1HG PRO 7 2HG PRO 7 -0.343 -5.644 1.537
24 2HG PRO 7 1HG PRO 7 0.896 -6.199 0.429
25 1HD PRO 7 2HD PRO 7 -1.321 -4.538 -0.290
26 2HD PRO 7 1HD PRO 7 -0.318 -5.425 -1.443
27 H SER 8 H SER 8 -3.956 -5.918 0.022
28 HA SER 8 HA SER 8 -4.965 -6.296 2.797
29 1HB SER 8 2HB SER 8 -4.348 -3.931 1.798
30 2HB SER 8 1HB SER 8 -5.840 -4.084 0.866
31 HG SER 8 HG SER 8 -6.646 -4.768 3.168
32 H SER 9 H SER 9 -5.736 -6.984 -0.525
33 HA SER 9 HA SER 9 -8.172 -8.327 0.318
34 1HB SER 9 2HB SER 9 -8.141 -5.923 -1.578
35 2HB SER 9 1HB SER 9 -9.444 -7.102 -1.565
36 HG SER 9 HG SER 9 -8.831 -6.381 0.981
37 H TYR 10 H TYR 10 -8.260 -10.222 -0.851
38 HA TYR 10 HA TYR 10 -6.874 -10.277 -3.411
39 1HB TYR 10 2HB TYR 10 -6.452 -12.810 -2.625
40 2HB TYR 10 1HB TYR 10 -5.384 -11.546 -2.055
41 HD1 TYR 10 HD1 TYR 10 -8.148 -13.737 -1.148
42 HD2 TYR 10 HD2 TYR 10 -5.415 -10.797 0.269
43 HE1 TYR 10 HE1 TYR 10 -8.738 -14.306 1.169
44 HE2 TYR 10 HE2 TYR 10 -6.005 -11.365 2.580
45 HH TYR 10 HH TYR 10 -6.994 -13.120 3.872
46 H ASP 11 H ASP 11 -9.829 -10.288 -2.346
47 HA ASP 11 HA ASP 11 -10.906 -12.683 -3.475
48 1HB ASP 11 2HB ASP 11 -12.116 -11.042 -1.824
49 2HB ASP 11 1HB ASP 11 -12.429 -10.034 -3.229
50 H GLY 12 H GLY 12 -11.697 -12.978 -5.552
51 1HA GLY 12 2HA GLY 12 -11.437 -12.817 -7.925
52 2HA GLY 12 1HA GLY 12 -12.271 -11.291 -7.667
53 H TYR 13 H TYR 13 -9.119 -12.215 -6.561
54 HA TYR 13 HA TYR 13 -7.902 -9.890 -7.904
55 1HB TYR 13 2HB TYR 13 -7.582 -10.512 -5.458
56 2HB TYR 13 1HB TYR 13 -6.659 -11.927 -5.995
57 HD1 TYR 13 HD2 TYR 13 -4.526 -11.618 -7.190
58 HD2 TYR 13 HD1 TYR 13 -6.676 -8.279 -5.657
59 HE1 TYR 13 HE2 TYR 13 -2.553 -10.236 -7.445
60 HE2 TYR 13 HE1 TYR 13 -4.694 -6.899 -5.912
61 HH TYR 13 HH TYR 13 -1.645 -8.104 -6.284
62 H CYS 14 H CYS 14 -8.156 -13.194 -8.475
63 HA CYS 14 HA CYS 14 -5.894 -13.104 -10.437
64 1HB CYS 14 2HB CYS 14 -7.039 -15.518 -9.042
65 2HB CYS 14 1HB CYS 14 -5.658 -15.422 -10.093
66 H LEU 15 H LEU 15 -6.412 -14.218 -12.465
67 HA LEU 15 HA LEU 15 -9.352 -14.271 -13.029
68 1HB LEU 15 2HB LEU 15 -7.092 -13.044 -14.407
69 2HB LEU 15 1HB LEU 15 -7.825 -14.201 -15.456
70 HG LEU 15 HG LEU 15 -10.073 -12.819 -14.584
71 1HD1 LEU 15 1HD1 LEU 15 -7.698 -10.889 -14.741
72 2HD1 LEU 15 3HD1 LEU 15 -9.367 -10.368 -14.762
73 3HD1 LEU 15 2HD1 LEU 15 -8.718 -11.166 -13.362
74 1HD2 LEU 15 3HD2 LEU 15 -8.396 -12.943 -17.029
75 2HD2 LEU 15 2HD2 LEU 15 -10.133 -12.805 -16.895
76 3HD2 LEU 15 1HD2 LEU 15 -9.134 -11.370 -16.844
77 H ASN 16 H ASN 16 -6.451 -16.008 -13.624
78 HA ASN 16 HA ASN 16 -8.008 -18.428 -14.276
79 1HB ASN 16 2HB ASN 16 -5.915 -17.252 -16.124
80 2HB ASN 16 1HB ASN 16 -6.333 -18.967 -16.130
81 1HD2 ASN 16 2HD2 ASN 16 -9.110 -16.366 -17.412
82 2HD2 ASN 16 1HD2 ASN 16 -7.846 -15.754 -16.445
83 H GLY 17 H GLY 17 -4.468 -18.109 -14.618
84 1HA GLY 17 2HA GLY 17 -4.019 -20.741 -13.487
85 2HA GLY 17 1HA GLY 17 -2.771 -19.567 -13.854
86 H GLY 18 H GLY 18 -4.491 -17.676 -12.376
87 1HA GLY 18 2HA GLY 18 -3.738 -16.541 -10.423
88 2HA GLY 18 1HA GLY 18 -5.227 -17.384 -10.080
89 H VAL 19 H VAL 19 -1.683 -18.171 -9.825
90 HA VAL 19 HA VAL 19 -2.456 -19.584 -7.369
91 HB VAL 19 HB VAL 19 -0.054 -19.513 -9.263
92 1HG1 VAL 19 1HG1 VAL 19 0.249 -19.957 -6.304
93 2HG1 VAL 19 3HG1 VAL 19 1.335 -20.729 -7.464
94 3HG1 VAL 19 2HG1 VAL 19 1.224 -18.984 -7.380
95 1HG2 VAL 19 1HG2 VAL 19 -1.697 -21.328 -9.343
96 2HG2 VAL 19 3HG2 VAL 19 -0.101 -21.937 -8.932
97 3HG2 VAL 19 2HG2 VAL 19 -1.319 -21.758 -7.676
98 1HN ABA 20 HN ABA 20 -3.034 -18.133 -6.137
99 HA ABA 20 HA ABA 20 -1.963 -15.529 -5.812
100 1HB ABA 20 1HB ABA 20 -3.418 -17.331 -3.820
101 2HB ABA 20 2HB ABA 20 -4.149 -16.308 -4.999
102 1HG ABA 20 1HG ABA 20 -2.150 -14.887 -3.222
103 2HG ABA 20 2HG ABA 20 -3.439 -15.607 -2.312
104 3HG ABA 20 3HG ABA 20 -3.821 -14.446 -3.558
105 H MET 21 H MET 21 0.021 -15.085 -5.271
106 HA MET 21 HA MET 21 1.382 -16.580 -3.109
107 1HB MET 21 2HB MET 21 3.487 -16.564 -4.473
108 2HB MET 21 1HB MET 21 2.246 -17.498 -5.280
109 1HG MET 21 2HG MET 21 1.769 -15.751 -6.818
110 2HG MET 21 1HG MET 21 2.776 -14.605 -5.973
111 1HE MET 21 3HE MET 21 5.460 -15.703 -5.479
112 2HE MET 21 2HE MET 21 5.123 -17.413 -5.783
113 3HE MET 21 1HE MET 21 6.287 -16.555 -6.782
114 H HIS 22 H HIS 22 3.092 -15.034 -2.196
115 HA HIS 22 HA HIS 22 2.084 -12.256 -2.619
116 1HB HIS 22 2HB HIS 22 2.008 -13.230 -0.392
117 2HB HIS 22 1HB HIS 22 3.778 -13.424 -0.431
118 HD1 HIS 22 HD1 HIS 22 3.258 -10.261 -1.925
119 HD2 HIS 22 HD2 HIS 22 3.011 -11.721 1.960
120 HE1 HIS 22 HE1 HIS 22 3.461 -8.392 -0.360
121 H ILE 23 H ILE 23 3.431 -10.831 -3.704
122 HA ILE 23 HA ILE 23 6.085 -11.855 -4.277
123 HB ILE 23 HB ILE 23 4.018 -11.009 -5.897
124 1HG1 ILE 23 2HG1 ILE 23 5.972 -10.812 -7.582
125 2HG1 ILE 23 1HG1 ILE 23 6.967 -11.363 -6.261
126 1HG2 ILE 23 1HG2 ILE 23 4.697 -8.629 -5.052
127 2HG2 ILE 23 3HG2 ILE 23 6.031 -8.786 -6.156
128 3HG2 ILE 23 2HG2 ILE 23 4.380 -8.836 -6.762
129 1HD1 ILE 23 3HD1 ILE 23 4.855 -13.212 -6.201
130 2HD1 ILE 23 2HD1 ILE 23 4.999 -12.882 -7.913
131 3HD1 ILE 23 1HD1 ILE 23 6.374 -13.488 -7.028
132 H GLU 24 H GLU 24 5.148 -10.276 -1.920
133 HA GLU 24 HA GLU 24 5.779 -7.668 -1.676
134 1HB GLU 24 2HB GLU 24 5.803 -9.787 0.236
135 2HB GLU 24 1HB GLU 24 7.432 -9.166 0.352
136 1HG GLU 24 2HG GLU 24 4.882 -7.517 0.783
137 2HG GLU 24 1HG GLU 24 6.057 -7.970 1.984
138 H SER 25 H SER 25 8.105 -10.063 -1.780
139 HA SER 25 HA SER 25 10.551 -9.008 -1.590
140 1HB SER 25 2HB SER 25 9.504 -10.797 -3.810
141 2HB SER 25 1HB SER 25 11.239 -10.606 -3.486
142 HG SER 25 HG SER 25 9.629 -12.202 -2.185
143 H LEU 26 H LEU 26 8.631 -8.592 -4.305
144 HA LEU 26 HA LEU 26 10.417 -6.489 -5.415
145 1HB LEU 26 2HB LEU 26 8.529 -7.088 -7.424
146 2HB LEU 26 1HB LEU 26 10.235 -7.461 -7.443
147 HG LEU 26 HG LEU 26 8.229 -9.150 -6.043
148 1HD1 LEU 26 1HD1 LEU 26 9.049 -9.295 -8.998
149 2HD1 LEU 26 3HD1 LEU 26 8.180 -10.590 -8.200
150 3HD1 LEU 26 2HD1 LEU 26 7.433 -9.012 -8.380
151 1HD2 LEU 26 1HD2 LEU 26 10.821 -9.491 -5.757
152 2HD2 LEU 26 3HD2 LEU 26 9.933 -10.931 -6.236
153 3HD2 LEU 26 2HD2 LEU 26 10.843 -10.015 -7.423
154 H ASP 27 H ASP 27 7.137 -7.274 -4.557
155 HA ASP 27 HA ASP 27 6.574 -4.391 -4.551
156 1HB ASP 27 2HB ASP 27 5.213 -6.319 -6.472
157 2HB ASP 27 1HB ASP 27 4.368 -4.876 -5.943
158 H SER 28 H SER 28 4.234 -6.968 -4.680
159 HA SER 28 HA SER 28 3.607 -6.780 -1.790
160 1HB SER 28 2HB SER 28 1.801 -5.365 -1.847
161 2HB SER 28 1HB SER 28 2.679 -4.685 -3.198
162 HG SER 28 HG SER 28 1.302 -5.539 -4.575
163 H TYR 29 H TYR 29 0.825 -7.478 -2.787
164 HA TYR 29 HA TYR 29 1.392 -10.458 -3.046
165 1HB TYR 29 2HB TYR 29 -0.256 -10.381 -1.370
166 2HB TYR 29 1HB TYR 29 -0.886 -8.834 -1.928
167 HD1 TYR 29 HD2 TYR 29 -0.547 -12.285 -3.355
168 HD2 TYR 29 HD1 TYR 29 -3.118 -8.950 -2.705
169 HE1 TYR 29 HE2 TYR 29 -2.329 -13.401 -4.558
170 HE2 TYR 29 HE1 TYR 29 -4.893 -10.098 -3.878
171 HH TYR 29 HH TYR 29 -5.518 -12.487 -4.430
172 H THR 30 H THR 30 0.850 -11.651 -4.690
173 HA THR 30 HA THR 30 -0.706 -10.492 -6.873
174 HB THR 30 HB THR 30 1.828 -9.950 -6.809
175 HG1 THR 30 HG1 THR 30 1.188 -9.470 -8.865
176 1HG2 THR 30 1HG2 THR 30 2.537 -12.468 -6.806
177 2HG2 THR 30 3HG2 THR 30 1.934 -12.550 -8.455
178 3HG2 THR 30 2HG2 THR 30 3.258 -11.475 -8.070
179 H CYS 31 H CYS 31 -0.309 -12.194 -8.819
180 HA CYS 31 HA CYS 31 -0.854 -14.901 -7.643
181 1HB CYS 31 2HB CYS 31 -2.750 -13.262 -8.984
182 2HB CYS 31 1HB CYS 31 -2.243 -14.417 -10.195
183 H ASN 32 H ASN 32 -0.127 -16.579 -8.904
184 HA ASN 32 HA ASN 32 1.994 -15.907 -10.928
185 1HB ASN 32 2HB ASN 32 2.157 -17.456 -8.560
186 2HB ASN 32 1HB ASN 32 1.895 -18.677 -9.792
187 1HD2 ASN 32 2HD2 ASN 32 5.517 -18.339 -9.711
188 2HD2 ASN 32 1HD2 ASN 32 4.289 -19.071 -8.784
189 H CYS 33 H CYS 33 0.798 -15.872 -12.725
190 HA CYS 33 HA CYS 33 -1.379 -17.803 -13.057
191 1HB CYS 33 2HB CYS 33 -0.367 -15.612 -14.956
192 2HB CYS 33 1HB CYS 33 -1.807 -16.541 -15.101
193 H VAL 34 H VAL 34 -1.458 -18.890 -15.251
194 HA VAL 34 HA VAL 34 0.840 -20.552 -15.313
195 HB VAL 34 HB VAL 34 -1.521 -21.242 -15.900
196 1HG1 VAL 34 3HG1 VAL 34 -1.902 -19.091 -17.237
197 2HG1 VAL 34 2HG1 VAL 34 -1.373 -20.033 -18.623
198 3HG1 VAL 34 1HG1 VAL 34 -2.712 -20.584 -17.659
199 1HG2 VAL 34 3HG2 VAL 34 0.415 -22.637 -16.863
200 2HG2 VAL 34 2HG2 VAL 34 -1.144 -22.774 -17.661
201 3HG2 VAL 34 1HG2 VAL 34 0.100 -21.802 -18.388
202 H ILE 35 H ILE 35 1.914 -21.142 -17.158
203 HA ILE 35 HA ILE 35 3.637 -19.121 -18.158
204 HB ILE 35 HB ILE 35 4.433 -21.347 -18.242
205 1HG1 ILE 35 2HG1 ILE 35 3.649 -21.093 -21.167
206 2HG1 ILE 35 1HG1 ILE 35 4.739 -19.922 -20.465
207 1HG2 ILE 35 2HG2 ILE 35 1.795 -22.007 -19.562
208 2HG2 ILE 35 1HG2 ILE 35 3.133 -23.127 -19.669
209 3HG2 ILE 35 3HG2 ILE 35 2.491 -22.706 -18.099
210 1HD1 ILE 35 2HD1 ILE 35 6.171 -21.938 -19.683
211 2HD1 ILE 35 1HD1 ILE 35 5.175 -22.922 -20.742
212 3HD1 ILE 35 3HD1 ILE 35 6.147 -21.624 -21.406
213 H GLY 36 H GLY 36 0.588 -20.038 -19.051
214 1HA GLY 36 2HA GLY 36 0.635 -18.681 -21.679
215 2HA GLY 36 1HA GLY 36 -0.655 -19.714 -21.127
216 H TYR 37 H TYR 37 -0.623 -18.050 -18.501
217 HA TYR 37 HA TYR 37 -2.045 -15.610 -19.550
218 1HB TYR 37 2HB TYR 37 -2.690 -17.029 -16.964
219 2HB TYR 37 1HB TYR 37 -3.731 -15.945 -17.877
220 HD1 TYR 37 HD2 TYR 37 -3.229 -17.547 -20.628
221 HD2 TYR 37 HD1 TYR 37 -4.408 -18.737 -16.724
222 HE1 TYR 37 HE2 TYR 37 -4.390 -19.453 -21.553
223 HE2 TYR 37 HE1 TYR 37 -5.597 -20.663 -17.692
224 HH TYR 37 HH TYR 37 -5.470 -22.041 -19.769
225 H SER 38 H SER 38 -1.209 -13.759 -18.916
226 HA SER 38 HA SER 38 0.390 -13.911 -16.412
227 1HB SER 38 2HB SER 38 1.928 -14.441 -18.312
228 2HB SER 38 1HB SER 38 1.571 -12.876 -19.051
229 HG SER 38 HG SER 38 3.200 -13.449 -16.932
230 H GLY 39 H GLY 39 1.580 -11.300 -17.403
231 1HA GLY 39 2HA GLY 39 1.053 -8.984 -17.407
232 2HA GLY 39 1HA GLY 39 -0.651 -9.371 -17.157
233 H ASP 40 H ASP 40 -0.330 -11.097 -15.056
234 HA ASP 40 HA ASP 40 0.900 -11.027 -12.772
235 1HB ASP 40 2HB ASP 40 -0.044 -8.166 -13.160
236 2HB ASP 40 1HB ASP 40 -0.311 -8.834 -11.593
237 H ARG 41 H ARG 41 -2.021 -11.043 -14.334
238 HA ARG 41 HA ARG 41 -3.378 -11.984 -11.918
239 1HB ARG 41 2HB ARG 41 -3.693 -9.436 -12.866
240 2HB ARG 41 1HB ARG 41 -4.917 -10.234 -13.807
241 1HG ARG 41 2HG ARG 41 -4.739 -10.770 -10.894
242 2HG ARG 41 1HG ARG 41 -5.356 -9.224 -11.458
243 1HD ARG 41 2HD ARG 41 -6.533 -11.286 -13.018
244 2HD ARG 41 1HD ARG 41 -6.778 -11.611 -11.320
245 HE ARG 41 HE ARG 41 -7.504 -9.005 -12.549
246 1HH1 ARG 41 2HH1 ARG 41 -7.979 -8.100 -10.317
247 2HH1 ARG 41 1HH1 ARG 41 -9.340 -8.875 -9.551
248 1HH2 ARG 41 1HH2 ARG 41 -9.137 -11.630 -11.697
249 2HH2 ARG 41 2HH2 ARG 41 -10.012 -10.927 -10.379
250 H CYS 42 H CYS 42 -2.609 -12.472 -15.047
251 HA CYS 42 HA CYS 42 -3.085 -14.093 -16.517
252 1HB CYS 42 2HB CYS 42 -5.493 -15.297 -15.230
253 2HB CYS 42 1HB CYS 42 -4.044 -16.073 -15.786
254 H GLN 43 H GLN 43 -4.086 -11.625 -16.336
255 HA GLN 43 HA GLN 43 -6.922 -11.522 -17.134
256 1HB GLN 43 2HB GLN 43 -6.443 -9.070 -17.169
257 2HB GLN 43 1HB GLN 43 -5.972 -9.792 -15.627
258 1HG GLN 43 2HG GLN 43 -3.736 -9.961 -17.407
259 2HG GLN 43 1HG GLN 43 -4.402 -8.330 -17.488
260 1HE2 GLN 43 2HE2 GLN 43 -1.951 -9.117 -14.566
261 2HE2 GLN 43 1HE2 GLN 43 -2.045 -10.049 -16.005
262 H THR 44 H THR 44 -3.873 -11.818 -18.375
263 HA THR 44 HA THR 44 -4.750 -11.354 -21.198
264 HB THR 44 HB THR 44 -3.027 -9.810 -20.082
265 HG1 THR 44 HG1 THR 44 -1.613 -10.702 -22.209
266 1HG2 THR 44 2HG2 THR 44 -1.751 -11.689 -19.043
267 2HG2 THR 44 1HG2 THR 44 -1.042 -11.987 -20.622
268 3HG2 THR 44 3HG2 THR 44 -0.800 -10.427 -19.812
269 H ARG 45 H ARG 45 -5.562 -13.413 -21.158
270 HA ARG 45 HA ARG 45 -3.916 -15.660 -20.327
271 1HB ARG 45 2HB ARG 45 -6.466 -15.802 -21.965
272 2HB ARG 45 1HB ARG 45 -5.798 -16.915 -20.829
273 1HG ARG 45 2HG ARG 45 -6.219 -15.466 -18.935
274 2HG ARG 45 1HG ARG 45 -6.767 -14.166 -19.967
275 1HD ARG 45 2HD ARG 45 -8.210 -16.821 -19.632
276 2HD ARG 45 1HD ARG 45 -8.721 -15.230 -19.051
277 HE ARG 45 HE ARG 45 -8.368 -15.717 -21.980
278 1HH1 ARG 45 2HH1 ARG 45 -9.287 -13.374 -22.259
279 2HH1 ARG 45 1HH1 ARG 45 -10.977 -13.298 -21.881
280 1HH2 ARG 45 1HH2 ARG 45 -10.787 -16.344 -20.135
281 2HH2 ARG 45 2HH2 ARG 45 -11.882 -15.084 -20.602
282 H ASP 46 H ASP 46 -2.199 -15.551 -21.596
283 HA ASP 46 HA ASP 46 -2.576 -15.087 -24.430
284 1HB ASP 46 2HB ASP 46 -0.406 -14.295 -23.348
285 2HB ASP 46 1HB ASP 46 -0.042 -15.935 -22.849
286 H LEU 47 H LEU 47 -4.142 -16.913 -24.246
287 HA LEU 47 HA LEU 47 -3.784 -19.470 -23.432
288 1HB LEU 47 2HB LEU 47 -5.493 -18.164 -25.486
289 2HB LEU 47 1HB LEU 47 -5.174 -19.834 -25.883
290 HG LEU 47 HG LEU 47 -5.947 -20.491 -23.534
291 1HD1 LEU 47 3HD1 LEU 47 -5.577 -17.959 -22.768
292 2HD1 LEU 47 2HD1 LEU 47 -7.216 -17.748 -23.330
293 3HD1 LEU 47 1HD1 LEU 47 -6.868 -18.902 -22.057
294 1HD2 LEU 47 1HD2 LEU 47 -7.926 -19.003 -25.321
295 2HD2 LEU 47 3HD2 LEU 47 -7.510 -20.704 -25.418
296 3HD2 LEU 47 2HD2 LEU 47 -8.381 -20.093 -24.027
297 H ARG 48 HN ARG 48 -2.219 -21.033 -24.021
298 HA ARG 48 HA ARG 48 -1.186 -21.004 -26.785
299 1HB ARG 48 2HB ARG 48 1.129 -21.556 -25.796
300 2HB ARG 48 1HB ARG 48 0.553 -19.926 -25.534
301 1HG ARG 48 2HG ARG 48 -0.337 -20.742 -23.258
302 2HG ARG 48 1HG ARG 48 0.588 -22.208 -23.508
303 1HD ARG 48 2HD ARG 48 1.776 -19.393 -23.633
304 2HD ARG 48 1HD ARG 48 1.771 -20.368 -22.174
305 HE ARG 48 HE ARG 48 3.137 -22.081 -23.468
306 1HH1 ARG 48 1HH1 ARG 48 3.767 -21.796 -25.895
307 2HH1 ARG 48 2HH1 ARG 48 4.890 -20.511 -26.139
308 1HH2 ARG 48 1HH2 ARG 48 4.077 -19.155 -22.959
309 2HH2 ARG 48 2HH2 ARG 48 5.100 -18.890 -24.324
No H/Q in entry = 309
Start of MODEL 12
1 1H PRO 4 1H PRO 4 0.022 0.399 -4.131
2 2H PRO 4 2H PRO 4 0.973 1.501 -5.026
3 HA PRO 4 HA PRO 4 2.810 0.475 -4.383
4 1HB PRO 4 2HB PRO 4 2.939 0.497 -1.599
5 2HB PRO 4 1HB PRO 4 3.298 1.898 -2.610
6 1HG PRO 4 2HG PRO 4 0.705 1.206 -1.195
7 2HG PRO 4 1HG PRO 4 1.497 2.777 -1.331
8 1HD PRO 4 2HD PRO 4 -0.599 2.120 -2.916
9 2HD PRO 4 1HD PRO 4 0.726 3.114 -3.535
10 H GLY 5 H GLY 5 0.398 -1.210 -4.679
11 1HA GLY 5 2HA GLY 5 0.878 -3.729 -4.639
12 2HA GLY 5 1HA GLY 5 1.168 -3.489 -2.917
13 1HN ABA 6 HN ABA 6 -0.605 -5.383 -3.437
14 HA ABA 6 HA ABA 6 -3.162 -4.051 -2.707
15 1HB ABA 6 1HB ABA 6 -3.728 -6.504 -4.183
16 2HB ABA 6 2HB ABA 6 -2.604 -5.535 -5.106
17 1HG ABA 6 1HG ABA 6 -4.177 -3.557 -4.880
18 2HG ABA 6 2HG ABA 6 -5.318 -4.606 -4.046
19 3HG ABA 6 3HG ABA 6 -4.909 -4.918 -5.726
20 HA PRO 7 HA PRO 7 -2.540 -8.282 -0.645
21 1HB PRO 7 2HB PRO 7 -0.992 -8.071 1.515
22 2HB PRO 7 1HB PRO 7 -0.237 -8.127 -0.061
23 1HG PRO 7 2HG PRO 7 -0.821 -5.649 1.611
24 2HG PRO 7 1HG PRO 7 0.627 -6.017 0.680
25 1HD PRO 7 2HD PRO 7 -1.459 -4.389 -0.278
26 2HD PRO 7 1HD PRO 7 -0.402 -5.305 -1.359
27 H SER 8 H SER 8 -4.055 -5.735 0.054
28 HA SER 8 HA SER 8 -5.103 -6.332 2.760
29 1HB SER 8 2HB SER 8 -4.707 -3.931 1.304
30 2HB SER 8 1HB SER 8 -6.455 -4.158 1.250
31 HG SER 8 HG SER 8 -6.385 -3.560 3.322
32 H SER 9 H SER 9 -5.871 -6.805 -0.586
33 HA SER 9 HA SER 9 -8.176 -8.417 0.187
34 1HB SER 9 2HB SER 9 -9.158 -6.070 -0.233
35 2HB SER 9 1HB SER 9 -8.599 -6.231 -1.912
36 HG SER 9 HG SER 9 -10.747 -7.331 -0.779
37 H TYR 10 H TYR 10 -8.111 -10.225 -1.048
38 HA TYR 10 HA TYR 10 -6.802 -10.097 -3.651
39 1HB TYR 10 2HB TYR 10 -6.254 -12.613 -3.053
40 2HB TYR 10 1HB TYR 10 -5.297 -11.358 -2.312
41 HD1 TYR 10 HD1 TYR 10 -8.134 -13.646 -1.612
42 HD2 TYR 10 HD2 TYR 10 -5.275 -10.939 -0.001
43 HE1 TYR 10 HE1 TYR 10 -8.713 -14.377 0.669
44 HE2 TYR 10 HE2 TYR 10 -5.851 -11.667 2.261
45 HH TYR 10 HH TYR 10 -7.050 -13.259 3.510
46 H ASP 11 H ASP 11 -9.622 -9.889 -2.671
47 HA ASP 11 HA ASP 11 -10.976 -12.260 -3.542
48 1HB ASP 11 2HB ASP 11 -11.909 -10.356 -1.969
49 2HB ASP 11 1HB ASP 11 -12.247 -9.476 -3.448
50 H GLY 12 H GLY 12 -11.210 -12.843 -5.605
51 1HA GLY 12 2HA GLY 12 -11.155 -12.768 -7.972
52 2HA GLY 12 1HA GLY 12 -12.032 -11.247 -7.794
53 H TYR 13 H TYR 13 -8.775 -12.015 -6.689
54 HA TYR 13 HA TYR 13 -7.777 -9.670 -8.259
55 1HB TYR 13 2HB TYR 13 -7.105 -9.895 -5.806
56 2HB TYR 13 1HB TYR 13 -6.475 -11.510 -6.092
57 HD1 TYR 13 HD2 TYR 13 -4.482 -11.680 -7.808
58 HD2 TYR 13 HD1 TYR 13 -5.568 -8.053 -5.861
59 HE1 TYR 13 HE2 TYR 13 -2.248 -10.805 -8.192
60 HE2 TYR 13 HE1 TYR 13 -3.315 -7.183 -6.260
61 HH TYR 13 HH TYR 13 -0.976 -8.188 -6.644
62 H CYS 14 H CYS 14 -7.966 -12.990 -8.471
63 HA CYS 14 HA CYS 14 -5.983 -12.959 -10.707
64 1HB CYS 14 2HB CYS 14 -6.644 -15.447 -9.142
65 2HB CYS 14 1HB CYS 14 -5.255 -15.002 -10.118
66 H LEU 15 H LEU 15 -6.507 -14.441 -12.363
67 HA LEU 15 HA LEU 15 -9.433 -14.777 -12.817
68 1HB LEU 15 2HB LEU 15 -7.478 -13.310 -14.204
69 2HB LEU 15 1HB LEU 15 -7.770 -14.651 -15.235
70 HG LEU 15 HG LEU 15 -10.320 -13.448 -14.438
71 1HD1 LEU 15 3HD1 LEU 15 -8.038 -11.556 -15.195
72 2HD1 LEU 15 2HD1 LEU 15 -9.656 -11.161 -15.712
73 3HD1 LEU 15 1HD1 LEU 15 -9.295 -11.321 -14.012
74 1HD2 LEU 15 1HD2 LEU 15 -8.683 -13.686 -17.010
75 2HD2 LEU 15 3HD2 LEU 15 -10.093 -14.619 -16.561
76 3HD2 LEU 15 2HD2 LEU 15 -10.255 -12.923 -16.994
77 H ASN 16 H ASN 16 -6.439 -16.378 -13.404
78 HA ASN 16 HA ASN 16 -7.905 -18.905 -13.802
79 1HB ASN 16 2HB ASN 16 -6.056 -17.795 -15.936
80 2HB ASN 16 1HB ASN 16 -6.551 -19.482 -15.880
81 1HD2 ASN 16 2HD2 ASN 16 -9.249 -16.665 -16.975
82 2HD2 ASN 16 1HD2 ASN 16 -7.752 -16.188 -16.327
83 H GLY 17 H GLY 17 -4.431 -18.221 -14.402
84 1HA GLY 17 2HA GLY 17 -3.714 -20.774 -13.174
85 2HA GLY 17 1HA GLY 17 -2.573 -19.618 -13.837
86 H GLY 18 H GLY 18 -3.986 -17.556 -12.424
87 1HA GLY 18 2HA GLY 18 -2.864 -16.290 -10.617
88 2HA GLY 18 1HA GLY 18 -4.487 -16.801 -10.204
89 H VAL 19 H VAL 19 -1.106 -17.862 -9.732
90 HA VAL 19 HA VAL 19 -2.041 -19.201 -7.297
91 HB VAL 19 HB VAL 19 0.480 -19.092 -9.055
92 1HG1 VAL 19 1HG1 VAL 19 0.463 -19.896 -6.149
93 2HG1 VAL 19 3HG1 VAL 19 1.718 -20.423 -7.274
94 3HG1 VAL 19 2HG1 VAL 19 1.486 -18.713 -6.949
95 1HG2 VAL 19 1HG2 VAL 19 -1.290 -20.861 -9.373
96 2HG2 VAL 19 3HG2 VAL 19 0.307 -21.510 -9.106
97 3HG2 VAL 19 2HG2 VAL 19 -0.872 -21.522 -7.803
98 1HN ABA 20 HN ABA 20 -2.574 -17.793 -6.007
99 HA ABA 20 HA ABA 20 -1.627 -15.140 -5.737
100 1HB ABA 20 1HB ABA 20 -3.310 -17.016 -4.037
101 2HB ABA 20 2HB ABA 20 -3.827 -15.818 -5.142
102 1HG ABA 20 1HG ABA 20 -3.845 -14.300 -3.318
103 2HG ABA 20 2HG ABA 20 -2.140 -14.610 -2.995
104 3HG ABA 20 3HG ABA 20 -3.356 -15.625 -2.286
105 H MET 21 H MET 21 0.475 -14.996 -5.508
106 HA MET 21 HA MET 21 1.741 -16.159 -3.072
107 1HB MET 21 2HB MET 21 3.902 -15.957 -4.354
108 2HB MET 21 1HB MET 21 2.782 -17.119 -5.033
109 1HG MET 21 2HG MET 21 2.091 -15.553 -6.752
110 2HG MET 21 1HG MET 21 3.044 -14.277 -6.068
111 1HE MET 21 3HE MET 21 5.865 -15.325 -5.555
112 2HE MET 21 2HE MET 21 5.437 -17.038 -5.656
113 3HE MET 21 1HE MET 21 6.594 -16.356 -6.787
114 H HIS 22 H HIS 22 2.538 -14.770 -1.655
115 HA HIS 22 HA HIS 22 2.093 -11.960 -2.127
116 1HB HIS 22 2HB HIS 22 1.914 -13.050 0.116
117 2HB HIS 22 1HB HIS 22 3.687 -13.199 0.103
118 HD1 HIS 22 HD1 HIS 22 3.211 -10.116 -1.513
119 HD2 HIS 22 HD2 HIS 22 2.750 -11.409 2.422
120 HE1 HIS 22 HE1 HIS 22 3.343 -8.182 0.004
121 H ILE 23 H ILE 23 3.489 -10.895 -3.476
122 HA ILE 23 HA ILE 23 6.205 -11.901 -3.739
123 HB ILE 23 HB ILE 23 4.232 -11.027 -5.525
124 1HG1 ILE 23 2HG1 ILE 23 6.503 -10.804 -7.007
125 2HG1 ILE 23 1HG1 ILE 23 7.068 -11.797 -5.692
126 1HG2 ILE 23 2HG2 ILE 23 4.888 -8.685 -4.702
127 2HG2 ILE 23 1HG2 ILE 23 6.303 -8.862 -5.705
128 3HG2 ILE 23 3HG2 ILE 23 4.698 -8.912 -6.429
129 1HD1 ILE 23 3HD1 ILE 23 4.877 -13.208 -6.151
130 2HD1 ILE 23 2HD1 ILE 23 4.887 -12.405 -7.711
131 3HD1 ILE 23 1HD1 ILE 23 6.231 -13.404 -7.239
132 H GLU 24 H GLU 24 5.162 -10.319 -1.453
133 HA GLU 24 HA GLU 24 5.916 -7.660 -1.318
134 1HB GLU 24 2HB GLU 24 5.565 -9.663 0.704
135 2HB GLU 24 1HB GLU 24 7.203 -9.120 0.961
136 1HG GLU 24 2HG GLU 24 4.943 -7.090 0.678
137 2HG GLU 24 1HG GLU 24 5.364 -7.800 2.225
138 H SER 25 H SER 25 7.828 -10.357 -1.348
139 HA SER 25 HA SER 25 10.388 -9.826 -0.904
140 1HB SER 25 2HB SER 25 9.629 -11.060 -3.587
141 2HB SER 25 1HB SER 25 10.799 -11.708 -2.424
142 HG SER 25 HG SER 25 9.131 -12.773 -1.619
143 H LEU 26 H LEU 26 8.742 -8.859 -3.618
144 HA LEU 26 HA LEU 26 10.826 -6.913 -4.446
145 1HB LEU 26 2HB LEU 26 8.979 -7.211 -6.604
146 2HB LEU 26 1HB LEU 26 10.670 -7.644 -6.609
147 HG LEU 26 HG LEU 26 8.497 -9.323 -5.468
148 1HD1 LEU 26 1HD1 LEU 26 9.561 -9.260 -8.356
149 2HD1 LEU 26 3HD1 LEU 26 8.587 -10.581 -7.743
150 3HD1 LEU 26 2HD1 LEU 26 7.909 -8.968 -7.839
151 1HD2 LEU 26 2HD2 LEU 26 11.019 -9.899 -5.006
152 2HD2 LEU 26 1HD2 LEU 26 10.124 -11.204 -5.771
153 3HD2 LEU 26 3HD2 LEU 26 11.191 -10.190 -6.722
154 H ASP 27 H ASP 27 7.440 -7.548 -4.082
155 HA ASP 27 HA ASP 27 6.969 -4.666 -3.774
156 1HB ASP 27 2HB ASP 27 5.767 -6.320 -6.008
157 2HB ASP 27 1HB ASP 27 4.909 -4.902 -5.421
158 H SER 28 H SER 28 4.448 -7.034 -4.375
159 HA SER 28 HA SER 28 3.569 -6.855 -1.524
160 1HB SER 28 2HB SER 28 1.836 -5.399 -1.761
161 2HB SER 28 1HB SER 28 2.766 -4.824 -3.125
162 HG SER 28 HG SER 28 1.420 -6.613 -4.311
163 H TYR 29 H TYR 29 0.836 -7.530 -2.548
164 HA TYR 29 HA TYR 29 1.455 -10.453 -2.951
165 1HB TYR 29 2HB TYR 29 -0.316 -10.471 -1.305
166 2HB TYR 29 1HB TYR 29 -0.913 -8.898 -1.835
167 HD1 TYR 29 HD2 TYR 29 -0.493 -12.310 -3.351
168 HD2 TYR 29 HD1 TYR 29 -3.067 -8.939 -2.822
169 HE1 TYR 29 HE2 TYR 29 -2.195 -13.368 -4.711
170 HE2 TYR 29 HE1 TYR 29 -4.755 -10.049 -4.177
171 HH TYR 29 HH TYR 29 -4.113 -12.978 -5.936
172 H THR 30 H THR 30 0.998 -11.533 -4.626
173 HA THR 30 HA THR 30 -0.518 -10.284 -6.742
174 HB THR 30 HB THR 30 2.184 -9.755 -6.297
175 HG1 THR 30 HG1 THR 30 0.333 -9.142 -8.148
176 1HG2 THR 30 1HG2 THR 30 2.753 -12.049 -7.116
177 2HG2 THR 30 3HG2 THR 30 2.109 -11.607 -8.699
178 3HG2 THR 30 2HG2 THR 30 3.490 -10.741 -8.026
179 H CYS 31 H CYS 31 -0.263 -11.837 -8.815
180 HA CYS 31 HA CYS 31 -0.520 -14.617 -7.751
181 1HB CYS 31 2HB CYS 31 -2.552 -12.972 -9.045
182 2HB CYS 31 1HB CYS 31 -2.165 -14.268 -10.116
183 H ASN 32 H ASN 32 0.332 -16.211 -8.932
184 HA ASN 32 HA ASN 32 2.104 -15.454 -11.234
185 1HB ASN 32 2HB ASN 32 3.402 -16.709 -9.582
186 2HB ASN 32 1HB ASN 32 2.125 -17.873 -9.330
187 1HD2 ASN 32 2HD2 ASN 32 2.937 -19.608 -12.448
188 2HD2 ASN 32 1HD2 ASN 32 1.546 -19.159 -11.590
189 H CYS 33 H CYS 33 0.876 -15.730 -13.056
190 HA CYS 33 HA CYS 33 -1.362 -17.633 -13.034
191 1HB CYS 33 2HB CYS 33 -0.399 -15.720 -15.208
192 2HB CYS 33 1HB CYS 33 -1.854 -16.652 -15.196
193 H VAL 34 H VAL 34 -0.315 -17.637 -16.121
194 HA VAL 34 HA VAL 34 1.405 -19.978 -15.735
195 HB VAL 34 HB VAL 34 -0.967 -20.808 -15.787
196 1HG1 VAL 34 1HG1 VAL 34 -1.772 -18.928 -17.234
197 2HG1 VAL 34 3HG1 VAL 34 -1.331 -19.926 -18.616
198 3HG1 VAL 34 2HG1 VAL 34 -2.457 -20.526 -17.434
199 1HG2 VAL 34 3HG2 VAL 34 0.855 -22.244 -16.984
200 2HG2 VAL 34 2HG2 VAL 34 -0.844 -22.559 -17.281
201 3HG2 VAL 34 1HG2 VAL 34 0.075 -21.692 -18.475
202 H ILE 35 H ILE 35 2.189 -20.815 -17.639
203 HA ILE 35 HA ILE 35 3.610 -18.910 -19.191
204 HB ILE 35 HB ILE 35 4.467 -21.088 -19.135
205 1HG1 ILE 35 2HG1 ILE 35 3.161 -21.387 -21.841
206 2HG1 ILE 35 1HG1 ILE 35 4.153 -19.973 -21.561
207 1HG2 ILE 35 2HG2 ILE 35 1.680 -22.069 -19.802
208 2HG2 ILE 35 1HG2 ILE 35 3.065 -23.119 -19.981
209 3HG2 ILE 35 3HG2 ILE 35 2.674 -22.477 -18.407
210 1HD1 ILE 35 3HD1 ILE 35 5.133 -22.816 -21.062
211 2HD1 ILE 35 2HD1 ILE 35 5.495 -21.877 -22.501
212 3HD1 ILE 35 1HD1 ILE 35 6.087 -21.345 -20.937
213 H GLY 36 H GLY 36 0.476 -20.009 -19.355
214 1HA GLY 36 2HA GLY 36 -0.022 -18.880 -22.043
215 2HA GLY 36 1HA GLY 36 -1.104 -20.001 -21.225
216 H TYR 37 H TYR 37 -0.671 -18.043 -18.812
217 HA TYR 37 HA TYR 37 -2.475 -15.814 -19.642
218 1HB TYR 37 2HB TYR 37 -2.842 -17.249 -16.986
219 2HB TYR 37 1HB TYR 37 -3.990 -16.257 -17.841
220 HD1 TYR 37 HD2 TYR 37 -3.917 -17.770 -20.544
221 HD2 TYR 37 HD1 TYR 37 -4.251 -19.208 -16.577
222 HE1 TYR 37 HE2 TYR 37 -5.123 -19.669 -21.380
223 HE2 TYR 37 HE1 TYR 37 -5.489 -21.165 -17.439
224 HH TYR 37 HH TYR 37 -6.871 -21.271 -20.388
225 H SER 38 H SER 38 -1.538 -13.956 -19.164
226 HA SER 38 HA SER 38 0.351 -14.093 -16.819
227 1HB SER 38 2HB SER 38 1.539 -14.324 -19.075
228 2HB SER 38 1HB SER 38 1.089 -12.647 -19.413
229 HG SER 38 HG SER 38 3.075 -13.505 -17.896
230 H GLY 39 H GLY 39 1.328 -11.432 -17.416
231 1HA GLY 39 2HA GLY 39 0.717 -9.134 -17.148
232 2HA GLY 39 1HA GLY 39 -0.971 -9.605 -16.963
233 H ASP 40 H ASP 40 -0.884 -11.387 -15.092
234 HA ASP 40 HA ASP 40 0.224 -11.658 -12.728
235 1HB ASP 40 2HB ASP 40 0.963 -9.437 -12.161
236 2HB ASP 40 1HB ASP 40 -0.455 -8.691 -12.864
237 H ARG 41 H ARG 41 -2.557 -10.928 -14.420
238 HA ARG 41 HA ARG 41 -4.284 -11.683 -12.105
239 1HB ARG 41 2HB ARG 41 -4.398 -9.408 -13.730
240 2HB ARG 41 1HB ARG 41 -5.613 -10.420 -14.473
241 1HG ARG 41 2HG ARG 41 -5.516 -9.935 -11.490
242 2HG ARG 41 1HG ARG 41 -6.347 -8.838 -12.552
243 1HD ARG 41 2HD ARG 41 -7.199 -11.405 -13.279
244 2HD ARG 41 1HD ARG 41 -7.134 -11.350 -11.531
245 HE ARG 41 HE ARG 41 -8.478 -9.139 -12.976
246 1HH1 ARG 41 1HH2 ARG 41 -9.160 -12.096 -11.678
247 2HH1 ARG 41 2HH2 ARG 41 -10.366 -11.551 -10.566
248 1HH2 ARG 41 2HH1 ARG 41 -9.665 -8.181 -11.340
249 2HH2 ARG 41 1HH1 ARG 41 -10.656 -9.213 -10.353
250 H CYS 42 H CYS 42 -3.283 -12.316 -15.244
251 HA CYS 42 HA CYS 42 -3.386 -14.123 -16.538
252 1HB CYS 42 2HB CYS 42 -5.640 -15.492 -15.039
253 2HB CYS 42 1HB CYS 42 -4.196 -16.200 -15.719
254 H GLN 43 H GLN 43 -4.688 -11.896 -16.584
255 HA GLN 43 HA GLN 43 -7.480 -12.100 -17.552
256 1HB GLN 43 2HB GLN 43 -7.081 -9.529 -17.934
257 2HB GLN 43 1HB GLN 43 -7.107 -10.051 -16.271
258 1HG GLN 43 2HG GLN 43 -5.068 -8.700 -16.350
259 2HG GLN 43 1HG GLN 43 -4.442 -10.255 -16.543
260 1HE2 GLN 43 2HE2 GLN 43 -2.830 -9.046 -19.228
261 2HE2 GLN 43 1HE2 GLN 43 -2.839 -9.877 -17.740
262 H THR 44 H THR 44 -4.270 -11.937 -18.562
263 HA THR 44 HA THR 44 -5.028 -11.679 -21.448
264 HB THR 44 HB THR 44 -3.279 -10.104 -20.869
265 HG1 THR 44 HG1 THR 44 -2.290 -10.765 -22.616
266 1HG2 THR 44 2HG2 THR 44 -2.543 -11.618 -18.820
267 2HG2 THR 44 1HG2 THR 44 -1.357 -12.160 -19.993
268 3HG2 THR 44 3HG2 THR 44 -1.450 -10.459 -19.550
269 H ARG 45 H ARG 45 -5.829 -13.757 -21.544
270 HA ARG 45 HA ARG 45 -4.121 -15.942 -20.699
271 1HB ARG 45 2HB ARG 45 -6.723 -15.871 -22.287
272 2HB ARG 45 1HB ARG 45 -6.006 -17.248 -21.521
273 1HG ARG 45 2HG ARG 45 -6.030 -15.393 -19.440
274 2HG ARG 45 1HG ARG 45 -7.474 -15.002 -20.343
275 1HD ARG 45 2HD ARG 45 -6.718 -17.637 -18.997
276 2HD ARG 45 1HD ARG 45 -8.150 -16.635 -18.777
277 HE ARG 45 HE ARG 45 -7.689 -18.100 -21.346
278 1HH1 ARG 45 1HH2 ARG 45 -9.881 -17.227 -22.149
279 2HH1 ARG 45 2HH2 ARG 45 -11.229 -17.794 -21.224
280 1HH2 ARG 45 2HH1 ARG 45 -9.081 -18.785 -18.572
281 2HH2 ARG 45 1HH1 ARG 45 -10.726 -18.741 -19.063
282 H ASP 46 H ASP 46 -2.404 -15.562 -21.831
283 HA ASP 46 HA ASP 46 -2.393 -14.781 -24.488
284 1HB ASP 46 2HB ASP 46 -0.338 -14.696 -23.059
285 2HB ASP 46 1HB ASP 46 -0.273 -16.457 -23.003
286 H LEU 47 H LEU 47 -3.042 -17.616 -22.957
287 HA LEU 47 HA LEU 47 -3.817 -19.695 -23.379
288 1HB LEU 47 2HB LEU 47 -4.783 -18.060 -25.460
289 2HB LEU 47 1HB LEU 47 -4.051 -19.357 -26.370
290 HG LEU 47 HG LEU 47 -5.980 -19.895 -24.048
291 1HD1 LEU 47 1HD1 LEU 47 -6.675 -19.507 -26.993
292 2HD1 LEU 47 3HD1 LEU 47 -7.791 -20.042 -25.745
293 3HD1 LEU 47 2HD1 LEU 47 -7.117 -18.427 -25.684
294 1HD2 LEU 47 3HD2 LEU 47 -5.130 -21.539 -26.491
295 2HD2 LEU 47 2HD2 LEU 47 -4.671 -21.858 -24.831
296 3HD2 LEU 47 1HD2 LEU 47 -6.342 -22.046 -25.326
297 H ARG 48 HN ARG 48 -1.268 -19.633 -23.121
298 HA ARG 48 HA ARG 48 -0.258 -21.532 -25.154
299 1HB ARG 48 2HB ARG 48 0.870 -19.037 -24.269
300 2HB ARG 48 1HB ARG 48 1.959 -20.268 -23.682
301 1HG ARG 48 2HG ARG 48 2.495 -21.043 -25.828
302 2HG ARG 48 1HG ARG 48 0.975 -20.520 -26.526
303 1HD ARG 48 2HD ARG 48 1.729 -18.429 -27.020
304 2HD ARG 48 1HD ARG 48 2.613 -18.271 -25.503
305 HE ARG 48 HE ARG 48 3.674 -19.903 -27.782
306 1HH1 ARG 48 1HH1 ARG 48 5.089 -20.066 -25.287
307 2HH1 ARG 48 2HH1 ARG 48 6.291 -18.830 -25.362
308 1HH2 ARG 48 1HH2 ARG 48 4.516 -17.235 -27.992
309 2HH2 ARG 48 2HH2 ARG 48 5.928 -17.086 -27.009
No H/Q in entry = 309
Start of MODEL 13
1 1H PRO 4 1H PRO 4 1.650 0.352 -0.579
2 2H PRO 4 2H PRO 4 1.700 1.842 -1.402
3 HA PRO 4 HA PRO 4 2.732 0.873 -3.097
4 1HB PRO 4 2HB PRO 4 5.076 -0.318 -2.192
5 2HB PRO 4 1HB PRO 4 4.911 1.428 -2.424
6 1HG PRO 4 2HG PRO 4 4.572 -0.191 0.119
7 2HG PRO 4 1HG PRO 4 5.431 1.337 -0.096
8 1HD PRO 4 2HD PRO 4 2.936 1.331 0.931
9 2HD PRO 4 1HD PRO 4 3.417 2.598 -0.204
10 H GLY 5 H GLY 5 0.870 -0.686 -3.124
11 1HA GLY 5 2HA GLY 5 1.370 -3.212 -3.845
12 2HA GLY 5 1HA GLY 5 1.545 -3.366 -2.096
13 1HN ABA 6 HN ABA 6 -0.172 -5.001 -3.217
14 HA ABA 6 HA ABA 6 -2.817 -3.905 -2.428
15 1HB ABA 6 1HB ABA 6 -2.696 -5.956 -4.596
16 2HB ABA 6 2HB ABA 6 -2.097 -4.374 -5.010
17 1HG ABA 6 1HG ABA 6 -4.868 -4.945 -3.861
18 2HG ABA 6 2HG ABA 6 -4.509 -4.549 -5.535
19 3HG ABA 6 3HG ABA 6 -4.259 -3.349 -4.281
20 HA PRO 7 HA PRO 7 -2.494 -8.288 -0.664
21 1HB PRO 7 2HB PRO 7 -1.219 -8.096 1.749
22 2HB PRO 7 1HB PRO 7 -0.343 -8.380 0.245
23 1HG PRO 7 2HG PRO 7 -0.569 -5.851 1.846
24 2HG PRO 7 1HG PRO 7 0.724 -6.368 0.783
25 1HD PRO 7 2HD PRO 7 -1.396 -4.515 0.118
26 2HD PRO 7 1HD PRO 7 -0.188 -5.198 -0.985
27 H SER 8 H SER 8 -3.868 -5.571 -0.090
28 HA SER 8 HA SER 8 -5.131 -6.041 2.509
29 1HB SER 8 2HB SER 8 -4.851 -3.747 0.857
30 2HB SER 8 1HB SER 8 -6.576 -4.116 0.771
31 HG SER 8 HG SER 8 -6.729 -3.909 2.926
32 H SER 9 H SER 9 -5.787 -7.012 -0.759
33 HA SER 9 HA SER 9 -8.048 -8.573 0.188
34 1HB SER 9 2HB SER 9 -8.898 -6.122 -0.589
35 2HB SER 9 1HB SER 9 -8.724 -6.830 -2.206
36 HG SER 9 HG SER 9 -10.521 -7.427 -0.240
37 H TYR 10 H TYR 10 -8.075 -10.430 -0.979
38 HA TYR 10 HA TYR 10 -6.720 -10.525 -3.550
39 1HB TYR 10 2HB TYR 10 -6.066 -12.946 -2.661
40 2HB TYR 10 1HB TYR 10 -5.105 -11.597 -2.093
41 HD1 TYR 10 HD2 TYR 10 -7.957 -13.757 -1.185
42 HD2 TYR 10 HD1 TYR 10 -5.078 -10.934 0.201
43 HE1 TYR 10 HE2 TYR 10 -8.606 -14.226 1.134
44 HE2 TYR 10 HE1 TYR 10 -5.730 -11.406 2.505
45 HH TYR 10 HH TYR 10 -7.023 -12.653 3.843
46 H ASP 11 H ASP 11 -9.375 -10.116 -3.063
47 HA ASP 11 HA ASP 11 -10.683 -12.642 -3.659
48 1HB ASP 11 2HB ASP 11 -11.780 -9.887 -2.909
49 2HB ASP 11 1HB ASP 11 -12.786 -11.303 -3.171
50 H GLY 12 H GLY 12 -11.346 -13.018 -5.717
51 1HA GLY 12 2HA GLY 12 -11.404 -12.744 -8.075
52 2HA GLY 12 1HA GLY 12 -12.250 -11.244 -7.683
53 H TYR 13 H TYR 13 -9.060 -11.997 -6.723
54 HA TYR 13 HA TYR 13 -7.925 -9.673 -8.163
55 1HB TYR 13 2HB TYR 13 -7.634 -10.132 -5.665
56 2HB TYR 13 1HB TYR 13 -6.704 -11.577 -6.055
57 HD1 TYR 13 HD1 TYR 13 -4.588 -11.209 -7.554
58 HD2 TYR 13 HD2 TYR 13 -6.514 -8.090 -5.379
59 HE1 TYR 13 HE1 TYR 13 -2.540 -9.910 -7.614
60 HE2 TYR 13 HE2 TYR 13 -4.454 -6.804 -5.437
61 HH TYR 13 HH TYR 13 -1.594 -7.936 -5.894
62 H CYS 14 H CYS 14 -7.982 -13.034 -8.420
63 HA CYS 14 HA CYS 14 -5.840 -12.925 -10.506
64 1HB CYS 14 2HB CYS 14 -6.713 -15.393 -8.948
65 2HB CYS 14 1HB CYS 14 -5.314 -15.150 -9.951
66 H LEU 15 H LEU 15 -6.414 -14.257 -12.340
67 HA LEU 15 HA LEU 15 -9.362 -14.448 -12.775
68 1HB LEU 15 2HB LEU 15 -7.277 -13.118 -14.209
69 2HB LEU 15 1HB LEU 15 -7.804 -14.406 -15.217
70 HG LEU 15 HG LEU 15 -10.192 -13.041 -14.337
71 1HD1 LEU 15 2HD1 LEU 15 -7.823 -11.245 -15.063
72 2HD1 LEU 15 1HD1 LEU 15 -9.444 -10.737 -15.458
73 3HD1 LEU 15 3HD1 LEU 15 -8.996 -11.016 -13.796
74 1HD2 LEU 15 2HD2 LEU 15 -8.576 -13.257 -16.920
75 2HD2 LEU 15 1HD2 LEU 15 -10.049 -14.102 -16.509
76 3HD2 LEU 15 3HD2 LEU 15 -10.091 -12.384 -16.875
77 H ASN 16 H ASN 16 -6.447 -16.158 -13.383
78 HA ASN 16 HA ASN 16 -7.981 -18.636 -13.815
79 1HB ASN 16 2HB ASN 16 -6.056 -17.594 -15.913
80 2HB ASN 16 1HB ASN 16 -6.675 -19.244 -15.877
81 1HD2 ASN 16 2HD2 ASN 16 -9.084 -16.231 -17.014
82 2HD2 ASN 16 1HD2 ASN 16 -7.578 -15.870 -16.322
83 H GLY 17 H GLY 17 -4.490 -18.163 -14.566
84 1HA GLY 17 2HA GLY 17 -3.779 -20.678 -13.364
85 2HA GLY 17 1HA GLY 17 -2.643 -19.426 -13.837
86 H GLY 18 H GLY 18 -4.261 -17.565 -12.344
87 1HA GLY 18 2HA GLY 18 -3.357 -16.426 -10.379
88 2HA GLY 18 1HA GLY 18 -4.935 -17.103 -10.074
89 H VAL 19 H VAL 19 -1.518 -18.038 -9.649
90 HA VAL 19 HA VAL 19 -2.292 -19.384 -7.160
91 HB VAL 19 HB VAL 19 0.134 -19.258 -9.061
92 1HG1 VAL 19 1HG1 VAL 19 0.257 -20.082 -6.187
93 2HG1 VAL 19 3HG1 VAL 19 1.394 -20.716 -7.387
94 3HG1 VAL 19 2HG1 VAL 19 1.300 -18.987 -7.087
95 1HG2 VAL 19 3HG2 VAL 19 -1.327 -21.651 -7.865
96 2HG2 VAL 19 2HG2 VAL 19 -1.531 -21.014 -9.490
97 3HG2 VAL 19 1HG2 VAL 19 -0.009 -21.736 -9.027
98 1HN ABA 20 HN ABA 20 -2.835 -17.855 -6.015
99 HA ABA 20 HA ABA 20 -1.795 -15.246 -5.786
100 1HB ABA 20 1HB ABA 20 -3.487 -17.027 -4.008
101 2HB ABA 20 2HB ABA 20 -3.985 -15.852 -5.165
102 1HG ABA 20 1HG ABA 20 -2.237 -14.632 -3.047
103 2HG ABA 20 2HG ABA 20 -3.510 -15.554 -2.317
104 3HG ABA 20 3HG ABA 20 -3.917 -14.242 -3.391
105 H MET 21 H MET 21 0.352 -15.080 -5.474
106 HA MET 21 HA MET 21 1.432 -16.185 -2.921
107 1HB MET 21 2HB MET 21 3.665 -16.237 -4.066
108 2HB MET 21 1HB MET 21 2.517 -17.379 -4.722
109 1HG MET 21 2HG MET 21 2.047 -15.911 -6.607
110 2HG MET 21 1HG MET 21 3.070 -14.662 -5.967
111 1HE MET 21 3HE MET 21 5.708 -15.475 -5.275
112 2HE MET 21 2HE MET 21 5.460 -17.213 -5.097
113 3HE MET 21 1HE MET 21 6.588 -16.609 -6.298
114 H HIS 22 H HIS 22 2.091 -14.705 -1.544
115 HA HIS 22 HA HIS 22 1.904 -11.964 -2.243
116 1HB HIS 22 2HB HIS 22 1.610 -12.876 0.008
117 2HB HIS 22 1HB HIS 22 3.376 -13.162 0.064
118 HD1 HIS 22 HD1 HIS 22 2.989 -10.072 -1.605
119 HD2 HIS 22 HD2 HIS 22 2.695 -11.292 2.356
120 HE1 HIS 22 HE1 HIS 22 3.267 -8.112 -0.139
121 H ILE 23 H ILE 23 3.383 -10.934 -3.525
122 HA ILE 23 HA ILE 23 6.078 -12.039 -3.746
123 HB ILE 23 HB ILE 23 4.163 -11.407 -5.618
124 1HG1 ILE 23 2HG1 ILE 23 6.462 -10.999 -7.016
125 2HG1 ILE 23 1HG1 ILE 23 7.064 -11.878 -5.639
126 1HG2 ILE 23 1HG2 ILE 23 4.616 -8.925 -4.876
127 2HG2 ILE 23 3HG2 ILE 23 6.012 -9.032 -5.903
128 3HG2 ILE 23 2HG2 ILE 23 4.402 -9.260 -6.577
129 1HD1 ILE 23 2HD1 ILE 23 4.959 -13.477 -6.172
130 2HD1 ILE 23 1HD1 ILE 23 5.137 -12.802 -7.780
131 3HD1 ILE 23 3HD1 ILE 23 6.460 -13.679 -7.050
132 H GLU 24 H GLU 24 5.013 -10.332 -1.595
133 HA GLU 24 HA GLU 24 5.570 -7.715 -1.497
134 1HB GLU 24 2HB GLU 24 5.520 -9.680 0.552
135 2HB GLU 24 1HB GLU 24 7.188 -9.196 0.622
136 1HG GLU 24 2HG GLU 24 4.800 -7.329 1.018
137 2HG GLU 24 1HG GLU 24 5.975 -7.816 2.214
138 H SER 25 H SER 25 7.816 -10.146 -1.405
139 HA SER 25 HA SER 25 10.302 -9.372 -1.216
140 1HB SER 25 2HB SER 25 9.509 -10.895 -3.719
141 2HB SER 25 1HB SER 25 10.819 -11.303 -2.599
142 HG SER 25 HG SER 25 9.318 -12.454 -1.574
143 H LEU 26 H LEU 26 8.569 -8.887 -4.042
144 HA LEU 26 HA LEU 26 10.531 -6.901 -5.074
145 1HB LEU 26 2HB LEU 26 8.683 -7.440 -7.161
146 2HB LEU 26 1HB LEU 26 10.381 -7.851 -7.127
147 HG LEU 26 HG LEU 26 8.265 -9.471 -5.813
148 1HD1 LEU 26 2HD1 LEU 26 9.271 -9.603 -8.723
149 2HD1 LEU 26 1HD1 LEU 26 8.393 -10.933 -7.996
150 3HD1 LEU 26 3HD1 LEU 26 7.613 -9.375 -8.198
151 1HD2 LEU 26 2HD2 LEU 26 10.828 -9.868 -5.374
152 2HD2 LEU 26 1HD2 LEU 26 9.944 -11.293 -5.901
153 3HD2 LEU 26 3HD2 LEU 26 10.936 -10.400 -7.038
154 H ASP 27 H ASP 27 7.162 -7.558 -4.436
155 HA ASP 27 HA ASP 27 6.719 -4.654 -4.456
156 1HB ASP 27 2HB ASP 27 5.361 -6.567 -6.388
157 2HB ASP 27 1HB ASP 27 4.548 -5.088 -5.910
158 H SER 28 H SER 28 4.288 -7.140 -4.643
159 HA SER 28 HA SER 28 3.592 -6.816 -1.770
160 1HB SER 28 2HB SER 28 1.810 -5.440 -1.949
161 2HB SER 28 1HB SER 28 2.798 -4.777 -3.241
162 HG SER 28 HG SER 28 1.414 -5.560 -4.716
163 H TYR 29 H TYR 29 0.820 -7.464 -2.837
164 HA TYR 29 HA TYR 29 1.393 -10.421 -2.988
165 1HB TYR 29 2HB TYR 29 -0.340 -10.368 -1.360
166 2HB TYR 29 1HB TYR 29 -0.937 -8.815 -1.950
167 HD1 TYR 29 HD1 TYR 29 -0.549 -12.274 -3.406
168 HD2 TYR 29 HD2 TYR 29 -3.143 -8.945 -2.793
169 HE1 TYR 29 HE1 TYR 29 -2.274 -13.365 -4.694
170 HE2 TYR 29 HE2 TYR 29 -4.858 -10.072 -4.064
171 HH TYR 29 HH TYR 29 -4.321 -13.198 -5.661
172 H THR 30 H THR 30 0.965 -11.616 -4.623
173 HA THR 30 HA THR 30 -0.580 -10.482 -6.818
174 HB THR 30 HB THR 30 2.020 -9.887 -6.567
175 HG1 THR 30 HG1 THR 30 0.974 -9.065 -8.290
176 1HG2 THR 30 3HG2 THR 30 2.627 -12.434 -6.895
177 2HG2 THR 30 2HG2 THR 30 2.181 -12.190 -8.576
178 3HG2 THR 30 1HG2 THR 30 3.487 -11.254 -7.872
179 H CYS 31 H CYS 31 -0.184 -12.124 -8.747
180 HA CYS 31 HA CYS 31 -0.508 -14.850 -7.586
181 1HB CYS 31 2HB CYS 31 -2.473 -13.232 -9.032
182 2HB CYS 31 1HB CYS 31 -2.056 -14.612 -10.001
183 H ASN 32 H ASN 32 0.147 -16.475 -8.929
184 HA ASN 32 HA ASN 32 2.122 -15.743 -11.069
185 1HB ASN 32 2HB ASN 32 2.453 -17.356 -8.730
186 2HB ASN 32 1HB ASN 32 2.135 -18.541 -9.982
187 1HD2 ASN 32 2HD2 ASN 32 5.844 -17.683 -9.775
188 2HD2 ASN 32 1HD2 ASN 32 4.742 -18.027 -8.529
189 H CYS 33 H CYS 33 1.023 -16.191 -13.045
190 HA CYS 33 HA CYS 33 -1.403 -17.884 -12.876
191 1HB CYS 33 2HB CYS 33 -0.440 -16.001 -15.077
192 2HB CYS 33 1HB CYS 33 -1.924 -16.876 -15.032
193 H VAL 34 H VAL 34 -0.215 -17.765 -15.942
194 HA VAL 34 HA VAL 34 1.365 -20.212 -15.629
195 HB VAL 34 HB VAL 34 -0.945 -21.048 -15.809
196 1HG1 VAL 34 1HG1 VAL 34 -1.882 -19.047 -16.823
197 2HG1 VAL 34 3HG1 VAL 34 -1.262 -19.527 -18.393
198 3HG1 VAL 34 2HG1 VAL 34 -2.424 -20.535 -17.571
199 1HG2 VAL 34 2HG2 VAL 34 0.629 -22.448 -17.120
200 2HG2 VAL 34 1HG2 VAL 34 -0.983 -22.405 -17.818
201 3HG2 VAL 34 3HG2 VAL 34 0.277 -21.470 -18.549
202 H ILE 35 H ILE 35 2.291 -20.876 -17.505
203 HA ILE 35 HA ILE 35 3.799 -18.917 -18.817
204 HB ILE 35 HB ILE 35 4.536 -21.164 -18.974
205 1HG1 ILE 35 2HG1 ILE 35 3.380 -21.090 -21.748
206 2HG1 ILE 35 1HG1 ILE 35 4.360 -19.727 -21.274
207 1HG2 ILE 35 3HG2 ILE 35 1.749 -21.855 -19.981
208 2HG2 ILE 35 2HG2 ILE 35 3.084 -22.982 -20.088
209 3HG2 ILE 35 1HG2 ILE 35 2.540 -22.444 -18.521
210 1HD1 ILE 35 2HD1 ILE 35 5.373 -22.573 -20.899
211 2HD1 ILE 35 1HD1 ILE 35 5.684 -21.644 -22.355
212 3HD1 ILE 35 3HD1 ILE 35 6.293 -21.081 -20.811
213 H GLY 36 H GLY 36 0.618 -19.945 -19.414
214 1HA GLY 36 2HA GLY 36 0.418 -18.367 -21.905
215 2HA GLY 36 1HA GLY 36 -0.675 -19.616 -21.437
216 H TYR 37 H TYR 37 -0.338 -17.704 -18.795
217 HA TYR 37 HA TYR 37 -2.389 -15.673 -19.531
218 1HB TYR 37 2HB TYR 37 -2.564 -17.141 -16.893
219 2HB TYR 37 1HB TYR 37 -3.777 -16.157 -17.661
220 HD1 TYR 37 HD2 TYR 37 -3.750 -17.879 -20.410
221 HD2 TYR 37 HD1 TYR 37 -4.111 -18.876 -16.307
222 HE1 TYR 37 HE2 TYR 37 -4.984 -19.876 -21.010
223 HE2 TYR 37 HE1 TYR 37 -5.360 -20.891 -16.918
224 HH TYR 37 HH TYR 37 -5.296 -22.380 -19.441
225 H SER 38 H SER 38 -1.443 -13.788 -19.100
226 HA SER 38 HA SER 38 0.459 -13.849 -16.773
227 1HB SER 38 2HB SER 38 1.599 -14.070 -19.061
228 2HB SER 38 1HB SER 38 1.118 -12.397 -19.376
229 HG SER 38 HG SER 38 3.127 -13.278 -17.826
230 H GLY 39 H GLY 39 1.403 -11.225 -17.306
231 1HA GLY 39 2HA GLY 39 0.798 -8.923 -17.059
232 2HA GLY 39 1HA GLY 39 -0.881 -9.379 -16.801
233 H ASP 40 H ASP 40 -0.414 -11.345 -14.964
234 HA ASP 40 HA ASP 40 0.650 -11.734 -12.735
235 1HB ASP 40 2HB ASP 40 -0.014 -8.768 -12.503
236 2HB ASP 40 1HB ASP 40 0.196 -9.794 -11.107
237 H ARG 41 H ARG 41 -2.121 -11.129 -14.298
238 HA ARG 41 HA ARG 41 -3.804 -11.783 -11.958
239 1HB ARG 41 2HB ARG 41 -3.856 -9.370 -13.338
240 2HB ARG 41 1HB ARG 41 -5.094 -10.251 -14.206
241 1HG ARG 41 2HG ARG 41 -5.012 -10.249 -11.206
242 2HG ARG 41 1HG ARG 41 -5.708 -8.891 -12.049
243 1HD ARG 41 2HD ARG 41 -6.759 -11.246 -13.210
244 2HD ARG 41 1HD ARG 41 -6.874 -11.381 -11.466
245 HE ARG 41 HE ARG 41 -7.909 -8.974 -12.891
246 1HH1 ARG 41 2HH1 ARG 41 -8.640 -7.937 -10.936
247 2HH1 ARG 41 1HH1 ARG 41 -9.861 -8.811 -10.046
248 1HH2 ARG 41 1HH2 ARG 41 -9.119 -11.774 -11.776
249 2HH2 ARG 41 2HH2 ARG 41 -10.140 -11.073 -10.558
250 H CYS 42 H CYS 42 -2.925 -12.399 -15.148
251 HA CYS 42 HA CYS 42 -3.288 -14.131 -16.498
252 1HB CYS 42 2HB CYS 42 -5.612 -15.344 -15.052
253 2HB CYS 42 1HB CYS 42 -4.199 -16.116 -15.699
254 H GLN 43 H GLN 43 -4.419 -11.774 -16.487
255 HA GLN 43 HA GLN 43 -7.263 -11.799 -17.354
256 1HB GLN 43 2HB GLN 43 -6.702 -9.263 -17.781
257 2HB GLN 43 1HB GLN 43 -6.762 -9.777 -16.115
258 1HG GLN 43 2HG GLN 43 -4.647 -8.544 -16.248
259 2HG GLN 43 1HG GLN 43 -4.131 -10.147 -16.368
260 1HE2 GLN 43 2HE2 GLN 43 -2.453 -9.139 -19.102
261 2HE2 GLN 43 1HE2 GLN 43 -2.501 -9.951 -17.595
262 H THR 44 H THR 44 -4.142 -11.915 -18.521
263 HA THR 44 HA THR 44 -4.995 -11.629 -21.375
264 HB THR 44 HB THR 44 -3.243 -10.013 -20.843
265 HG1 THR 44 HG1 THR 44 -2.435 -10.675 -22.695
266 1HG2 THR 44 1HG2 THR 44 -2.378 -11.602 -18.876
267 2HG2 THR 44 3HG2 THR 44 -1.265 -12.127 -20.128
268 3HG2 THR 44 2HG2 THR 44 -1.296 -10.443 -19.633
269 H ARG 45 H ARG 45 -5.792 -13.720 -21.316
270 HA ARG 45 HA ARG 45 -4.046 -15.927 -20.518
271 1HB ARG 45 2HB ARG 45 -6.744 -15.811 -21.932
272 2HB ARG 45 1HB ARG 45 -5.993 -17.212 -21.253
273 1HG ARG 45 2HG ARG 45 -5.859 -15.809 -19.055
274 2HG ARG 45 1HG ARG 45 -7.071 -14.817 -19.841
275 1HD ARG 45 2HD ARG 45 -7.316 -17.646 -18.799
276 2HD ARG 45 1HD ARG 45 -8.500 -16.341 -18.823
277 HE ARG 45 HE ARG 45 -7.807 -17.862 -21.296
278 1HH1 ARG 45 1HH2 ARG 45 -9.408 -15.835 -22.080
279 2HH1 ARG 45 2HH2 ARG 45 -11.050 -16.271 -21.750
280 1HH2 ARG 45 2HH1 ARG 45 -9.974 -18.741 -19.460
281 2HH2 ARG 45 1HH1 ARG 45 -11.390 -18.034 -20.150
282 H ASP 46 H ASP 46 -2.375 -15.477 -21.813
283 HA ASP 46 HA ASP 46 -2.595 -14.810 -24.475
284 1HB ASP 46 2HB ASP 46 -0.410 -14.744 -23.233
285 2HB ASP 46 1HB ASP 46 -0.366 -16.505 -23.188
286 H LEU 47 H LEU 47 -2.908 -17.704 -22.893
287 HA LEU 47 HA LEU 47 -4.076 -19.650 -23.318
288 1HB LEU 47 2HB LEU 47 -3.635 -19.097 -26.326
289 2HB LEU 47 1HB LEU 47 -4.657 -20.348 -25.686
290 HG LEU 47 HG LEU 47 -5.111 -17.350 -25.292
291 1HD1 LEU 47 2HD1 LEU 47 -5.570 -18.134 -27.578
292 2HD1 LEU 47 1HD1 LEU 47 -6.651 -19.373 -26.947
293 3HD1 LEU 47 3HD1 LEU 47 -7.045 -17.668 -26.745
294 1HD2 LEU 47 3HD2 LEU 47 -6.367 -19.773 -24.021
295 2HD2 LEU 47 2HD2 LEU 47 -6.217 -18.134 -23.408
296 3HD2 LEU 47 1HD2 LEU 47 -7.471 -18.530 -24.563
297 H ARG 48 HN ARG 48 -2.000 -20.192 -22.357
298 HA ARG 48 HA ARG 48 -0.933 -22.525 -23.769
299 1HB ARG 48 2HB ARG 48 0.764 -20.083 -23.046
300 2HB ARG 48 1HB ARG 48 1.479 -21.659 -22.853
301 1HG ARG 48 2HG ARG 48 2.059 -21.467 -25.052
302 2HG ARG 48 1HG ARG 48 0.411 -21.956 -25.373
303 1HD ARG 48 2HD ARG 48 0.253 -19.148 -24.923
304 2HD ARG 48 1HD ARG 48 1.673 -19.366 -25.931
305 HE ARG 48 HE ARG 48 -1.043 -20.456 -26.603
306 1HH1 ARG 48 1HH2 ARG 48 1.387 -21.343 -28.054
307 2HH1 ARG 48 2HH2 ARG 48 1.394 -20.339 -29.464
308 1HH2 ARG 48 1HH1 ARG 48 -0.900 -18.120 -27.966
309 2HH2 ARG 48 2HH1 ARG 48 0.003 -18.382 -29.416
No H/Q in entry = 309
Start of MODEL 14
1 1H PRO 4 1H PRO 4 2.287 0.123 -1.154
2 2H PRO 4 2H PRO 4 1.279 1.457 -0.839
3 HA PRO 4 HA PRO 4 0.451 1.315 -2.875
4 1HB PRO 4 2HB PRO 4 2.897 1.360 -4.511
5 2HB PRO 4 1HB PRO 4 1.713 2.637 -4.272
6 1HG PRO 4 2HG PRO 4 4.316 2.541 -3.181
7 2HG PRO 4 1HG PRO 4 3.049 3.677 -2.722
8 1HD PRO 4 2HD PRO 4 4.081 1.341 -1.260
9 2HD PRO 4 1HD PRO 4 3.098 2.675 -0.656
10 H GLY 5 H GLY 5 0.717 -0.955 -1.616
11 1HA GLY 5 2HA GLY 5 1.420 -2.993 -3.687
12 2HA GLY 5 1HA GLY 5 1.601 -3.272 -1.941
13 1HN ABA 6 HN ABA 6 -0.104 -5.029 -3.384
14 HA ABA 6 HA ABA 6 -2.789 -4.073 -2.490
15 1HB ABA 6 1HB ABA 6 -3.041 -5.935 -4.685
16 2HB ABA 6 2HB ABA 6 -1.827 -4.771 -5.115
17 1HG ABA 6 1HG ABA 6 -4.604 -4.029 -4.092
18 2HG ABA 6 2HG ABA 6 -4.117 -4.024 -5.779
19 3HG ABA 6 3HG ABA 6 -3.368 -2.906 -4.646
20 HA PRO 7 HA PRO 7 -2.353 -8.507 -0.818
21 1HB PRO 7 2HB PRO 7 -2.040 -7.502 1.922
22 2HB PRO 7 1HB PRO 7 -1.045 -8.682 1.069
23 1HG PRO 7 2HG PRO 7 -0.121 -6.122 1.651
24 2HG PRO 7 1HG PRO 7 0.446 -7.050 0.275
25 1HD PRO 7 2HD PRO 7 -1.607 -4.805 0.285
26 2HD PRO 7 1HD PRO 7 -0.350 -5.167 -0.899
27 H SER 8 H SER 8 -3.392 -5.648 0.677
28 HA SER 8 HA SER 8 -5.361 -5.776 2.268
29 1HB SER 8 2HB SER 8 -5.937 -4.232 -0.255
30 2HB SER 8 1HB SER 8 -6.020 -3.691 1.434
31 HG SER 8 HG SER 8 -4.068 -2.991 0.982
32 H SER 9 H SER 9 -6.195 -6.344 -1.117
33 HA SER 9 HA SER 9 -8.573 -7.825 -0.230
34 1HB SER 9 2HB SER 9 -8.642 -6.146 -2.755
35 2HB SER 9 1HB SER 9 -9.973 -6.578 -1.680
36 HG SER 9 HG SER 9 -9.582 -4.800 -0.619
37 H TYR 10 H TYR 10 -8.352 -9.859 -0.906
38 HA TYR 10 HA TYR 10 -6.958 -10.343 -3.416
39 1HB TYR 10 2HB TYR 10 -6.598 -12.701 -2.289
40 2HB TYR 10 1HB TYR 10 -5.618 -11.348 -1.780
41 HD1 TYR 10 HD1 TYR 10 -6.208 -10.063 0.271
42 HD2 TYR 10 HD2 TYR 10 -8.097 -13.762 -0.656
43 HE1 TYR 10 HE1 TYR 10 -6.928 -10.257 2.585
44 HE2 TYR 10 HE2 TYR 10 -8.822 -13.958 1.682
45 HH TYR 10 HH TYR 10 -7.692 -11.752 4.133
46 H ASP 11 H ASP 11 -10.015 -10.271 -2.371
47 HA ASP 11 HA ASP 11 -11.009 -12.773 -3.351
48 1HB ASP 11 2HB ASP 11 -12.334 -11.115 -1.814
49 2HB ASP 11 1HB ASP 11 -12.611 -10.158 -3.263
50 H GLY 12 H GLY 12 -11.704 -13.222 -5.452
51 1HA GLY 12 2HA GLY 12 -11.424 -13.111 -7.827
52 2HA GLY 12 1HA GLY 12 -12.340 -11.618 -7.615
53 H TYR 13 H TYR 13 -9.149 -12.406 -6.493
54 HA TYR 13 HA TYR 13 -8.019 -9.985 -7.750
55 1HB TYR 13 2HB TYR 13 -7.651 -10.596 -5.358
56 2HB TYR 13 1HB TYR 13 -6.723 -12.017 -5.864
57 HD1 TYR 13 HD1 TYR 13 -4.599 -11.627 -7.234
58 HD2 TYR 13 HD2 TYR 13 -6.661 -8.434 -5.317
59 HE1 TYR 13 HE1 TYR 13 -2.621 -10.241 -7.436
60 HE2 TYR 13 HE2 TYR 13 -4.672 -7.048 -5.499
61 HH TYR 13 HH TYR 13 -1.700 -8.173 -5.991
62 H CYS 14 H CYS 14 -8.067 -13.315 -8.321
63 HA CYS 14 HA CYS 14 -5.836 -13.104 -10.311
64 1HB CYS 14 2HB CYS 14 -6.904 -15.610 -9.010
65 2HB CYS 14 1HB CYS 14 -5.467 -15.389 -9.981
66 H LEU 15 H LEU 15 -6.348 -14.128 -12.386
67 HA LEU 15 HA LEU 15 -9.295 -14.234 -12.887
68 1HB LEU 15 2HB LEU 15 -7.119 -12.935 -14.221
69 2HB LEU 15 1HB LEU 15 -7.695 -14.159 -15.302
70 HG LEU 15 HG LEU 15 -10.095 -12.947 -14.504
71 1HD1 LEU 15 2HD1 LEU 15 -7.891 -10.832 -14.672
72 2HD1 LEU 15 1HD1 LEU 15 -9.602 -10.468 -14.671
73 3HD1 LEU 15 3HD1 LEU 15 -8.852 -11.182 -13.267
74 1HD2 LEU 15 3HD2 LEU 15 -8.439 -13.106 -16.912
75 2HD2 LEU 15 2HD2 LEU 15 -10.163 -12.875 -16.793
76 3HD2 LEU 15 1HD2 LEU 15 -9.089 -11.490 -16.784
77 H ASN 16 H ASN 16 -6.419 -15.991 -13.458
78 HA ASN 16 HA ASN 16 -7.987 -18.393 -14.150
79 1HB ASN 16 2HB ASN 16 -5.901 -17.193 -15.952
80 2HB ASN 16 1HB ASN 16 -6.167 -18.934 -15.870
81 1HD2 ASN 16 2HD2 ASN 16 -9.291 -16.864 -17.289
82 2HD2 ASN 16 1HD2 ASN 16 -8.498 -16.233 -15.922
83 H GLY 17 H GLY 17 -4.473 -18.206 -14.577
84 1HA GLY 17 2HA GLY 17 -3.976 -20.782 -13.443
85 2HA GLY 17 1HA GLY 17 -2.749 -19.572 -13.748
86 H GLY 18 H GLY 18 -4.289 -17.682 -12.333
87 1HA GLY 18 2HA GLY 18 -3.609 -16.591 -10.315
88 2HA GLY 18 1HA GLY 18 -5.144 -17.373 -10.035
89 H VAL 19 H VAL 19 -1.662 -18.209 -9.672
90 HA VAL 19 HA VAL 19 -2.512 -19.644 -7.242
91 HB VAL 19 HB VAL 19 -0.181 -19.697 -9.169
92 1HG1 VAL 19 3HG1 VAL 19 0.296 -20.055 -6.204
93 2HG1 VAL 19 2HG1 VAL 19 1.310 -20.858 -7.400
94 3HG1 VAL 19 1HG1 VAL 19 1.225 -19.110 -7.346
95 1HG2 VAL 19 1HG2 VAL 19 -1.831 -21.471 -9.126
96 2HG2 VAL 19 3HG2 VAL 19 -0.238 -22.099 -8.747
97 3HG2 VAL 19 2HG2 VAL 19 -1.412 -21.854 -7.456
98 1HN ABA 20 HN ABA 20 -3.029 -18.175 -5.958
99 HA ABA 20 HA ABA 20 -1.851 -15.630 -5.593
100 1HB ABA 20 1HB ABA 20 -3.448 -17.390 -3.666
101 2HB ABA 20 2HB ABA 20 -4.069 -16.311 -4.858
102 1HG ABA 20 1HG ABA 20 -3.825 -14.550 -3.311
103 2HG ABA 20 2HG ABA 20 -2.124 -14.926 -3.064
104 3HG ABA 20 3HG ABA 20 -3.339 -15.731 -2.116
105 H MET 21 H MET 21 0.120 -15.235 -5.015
106 HA MET 21 HA MET 21 1.471 -16.737 -2.844
107 1HB MET 21 2HB MET 21 3.613 -16.663 -4.211
108 2HB MET 21 1HB MET 21 2.401 -17.640 -5.006
109 1HG MET 21 2HG MET 21 1.955 -16.027 -6.629
110 2HG MET 21 1HG MET 21 2.620 -14.708 -5.704
111 1HE MET 21 2HE MET 21 2.677 -15.478 -8.645
112 2HE MET 21 1HE MET 21 3.708 -14.081 -8.483
113 3HE MET 21 3HE MET 21 4.314 -15.527 -9.284
114 H HIS 22 H HIS 22 3.456 -15.159 -2.216
115 HA HIS 22 HA HIS 22 2.316 -12.397 -2.481
116 1HB HIS 22 2HB HIS 22 2.435 -13.444 -0.218
117 2HB HIS 22 1HB HIS 22 4.205 -13.426 -0.390
118 HD1 HIS 22 HD1 HIS 22 3.328 -10.380 -1.920
119 HD2 HIS 22 HD2 HIS 22 3.298 -11.741 2.016
120 HE1 HIS 22 HE1 HIS 22 3.395 -8.457 -0.418
121 H ILE 23 H ILE 23 3.590 -11.015 -3.701
122 HA ILE 23 HA ILE 23 6.236 -11.991 -4.350
123 HB ILE 23 HB ILE 23 4.123 -11.181 -5.937
124 1HG1 ILE 23 2HG1 ILE 23 6.042 -10.945 -7.659
125 2HG1 ILE 23 1HG1 ILE 23 7.077 -11.481 -6.360
126 1HG2 ILE 23 3HG2 ILE 23 4.789 -8.782 -5.120
127 2HG2 ILE 23 2HG2 ILE 23 6.123 -8.929 -6.223
128 3HG2 ILE 23 1HG2 ILE 23 4.471 -8.999 -6.829
129 1HD1 ILE 23 1HD1 ILE 23 4.707 -13.209 -6.564
130 2HD1 ILE 23 3HD1 ILE 23 5.527 -13.089 -8.105
131 3HD1 ILE 23 2HD1 ILE 23 6.392 -13.656 -6.697
132 H GLU 24 H GLU 24 5.155 -10.334 -2.099
133 HA GLU 24 HA GLU 24 5.601 -7.750 -1.721
134 1HB GLU 24 2HB GLU 24 5.868 -9.889 0.111
135 2HB GLU 24 1HB GLU 24 7.469 -9.199 0.172
136 1HG GLU 24 2HG GLU 24 4.879 -7.679 0.790
137 2HG GLU 24 1HG GLU 24 6.150 -8.108 1.902
138 H SER 25 H SER 25 8.146 -9.871 -1.755
139 HA SER 25 HA SER 25 10.490 -8.763 -1.594
140 1HB SER 25 2HB SER 25 9.759 -10.449 -4.006
141 2HB SER 25 1HB SER 25 11.202 -10.637 -2.989
142 HG SER 25 HG SER 25 9.956 -11.883 -1.741
143 H LEU 26 H LEU 26 8.694 -8.563 -4.419
144 HA LEU 26 HA LEU 26 10.417 -6.426 -5.564
145 1HB LEU 26 2HB LEU 26 8.494 -7.140 -7.535
146 2HB LEU 26 1HB LEU 26 10.213 -7.445 -7.584
147 HG LEU 26 HG LEU 26 8.305 -9.168 -6.097
148 1HD1 LEU 26 1HD1 LEU 26 9.098 -9.391 -9.048
149 2HD1 LEU 26 3HD1 LEU 26 8.279 -10.672 -8.181
150 3HD1 LEU 26 2HD1 LEU 26 7.483 -9.130 -8.419
151 1HD2 LEU 26 2HD2 LEU 26 10.869 -9.419 -5.773
152 2HD2 LEU 26 1HD2 LEU 26 10.066 -10.896 -6.287
153 3HD2 LEU 26 3HD2 LEU 26 10.959 -9.925 -7.445
154 H ASP 27 H ASP 27 7.152 -7.324 -4.773
155 HA ASP 27 HA ASP 27 6.468 -4.471 -4.716
156 1HB ASP 27 2HB ASP 27 5.214 -6.480 -6.605
157 2HB ASP 27 1HB ASP 27 4.277 -5.091 -6.091
158 H SER 28 H SER 28 4.216 -7.140 -4.808
159 HA SER 28 HA SER 28 3.652 -6.932 -1.903
160 1HB SER 28 2HB SER 28 1.666 -5.744 -1.969
161 2HB SER 28 1HB SER 28 2.602 -4.917 -3.211
162 HG SER 28 HG SER 28 1.619 -6.627 -4.662
163 H TYR 29 H TYR 29 0.890 -7.737 -2.837
164 HA TYR 29 HA TYR 29 1.512 -10.690 -3.102
165 1HB TYR 29 2HB TYR 29 -0.179 -10.643 -1.371
166 2HB TYR 29 1HB TYR 29 -0.780 -9.084 -1.914
167 HD1 TYR 29 HD2 TYR 29 -0.543 -12.506 -3.459
168 HD2 TYR 29 HD1 TYR 29 -3.093 -9.214 -2.610
169 HE1 TYR 29 HE2 TYR 29 -2.344 -13.590 -4.641
170 HE2 TYR 29 HE1 TYR 29 -4.896 -10.334 -3.765
171 HH TYR 29 HH TYR 29 -5.483 -12.846 -4.334
172 H THR 30 H THR 30 0.888 -11.892 -4.696
173 HA THR 30 HA THR 30 -0.735 -10.732 -6.787
174 HB THR 30 HB THR 30 1.930 -10.121 -6.651
175 HG1 THR 30 HG1 THR 30 0.809 -9.139 -8.219
176 1HG2 THR 30 3HG2 THR 30 2.528 -12.572 -7.173
177 2HG2 THR 30 2HG2 THR 30 1.781 -12.339 -8.750
178 3HG2 THR 30 1HG2 THR 30 3.172 -11.370 -8.286
179 H CYS 31 H CYS 31 -0.485 -12.399 -8.733
180 HA CYS 31 HA CYS 31 -0.775 -15.104 -7.458
181 1HB CYS 31 2HB CYS 31 -2.672 -13.526 -8.878
182 2HB CYS 31 1HB CYS 31 -2.221 -14.808 -9.966
183 H ASN 32 H ASN 32 -0.146 -16.864 -8.768
184 HA ASN 32 HA ASN 32 1.979 -16.161 -10.780
185 1HB ASN 32 2HB ASN 32 2.549 -17.639 -8.614
186 2HB ASN 32 1HB ASN 32 1.678 -18.905 -9.462
187 1HD2 ASN 32 2HD2 ASN 32 4.479 -19.599 -11.436
188 2HD2 ASN 32 1HD2 ASN 32 3.135 -20.205 -10.585
189 H CYS 33 H CYS 33 0.768 -16.008 -12.512
190 HA CYS 33 HA CYS 33 -1.397 -17.889 -13.024
191 1HB CYS 33 2HB CYS 33 -0.338 -15.628 -14.800
192 2HB CYS 33 1HB CYS 33 -1.836 -16.449 -14.883
193 H VAL 34 H VAL 34 -1.482 -19.034 -15.043
194 HA VAL 34 HA VAL 34 0.842 -20.582 -15.351
195 HB VAL 34 HB VAL 34 -1.513 -21.301 -15.901
196 1HG1 VAL 34 2HG1 VAL 34 -1.909 -19.112 -17.162
197 2HG1 VAL 34 1HG1 VAL 34 -1.477 -20.028 -18.591
198 3HG1 VAL 34 3HG1 VAL 34 -2.773 -20.592 -17.567
199 1HG2 VAL 34 2HG2 VAL 34 0.489 -22.549 -17.007
200 2HG2 VAL 34 1HG2 VAL 34 -1.118 -22.775 -17.681
201 3HG2 VAL 34 3HG2 VAL 34 0.000 -21.704 -18.483
202 H ILE 35 H ILE 35 1.901 -21.010 -17.195
203 HA ILE 35 HA ILE 35 3.478 -18.887 -18.177
204 HB ILE 35 HB ILE 35 4.335 -21.091 -18.300
205 1HG1 ILE 35 2HG1 ILE 35 3.593 -20.710 -21.214
206 2HG1 ILE 35 1HG1 ILE 35 4.624 -19.545 -20.424
207 1HG2 ILE 35 2HG2 ILE 35 1.742 -21.805 -19.707
208 2HG2 ILE 35 1HG2 ILE 35 3.140 -22.847 -19.845
209 3HG2 ILE 35 3HG2 ILE 35 2.451 -22.543 -18.274
210 1HD1 ILE 35 3HD1 ILE 35 5.997 -21.730 -19.646
211 2HD1 ILE 35 2HD1 ILE 35 5.215 -22.441 -21.047
212 3HD1 ILE 35 1HD1 ILE 35 6.253 -21.041 -21.237
213 H GLY 36 H GLY 36 0.444 -19.930 -19.097
214 1HA GLY 36 2HA GLY 36 0.459 -18.486 -21.678
215 2HA GLY 36 1HA GLY 36 -0.775 -19.614 -21.189
216 H TYR 37 H TYR 37 -0.349 -17.685 -18.625
217 HA TYR 37 HA TYR 37 -2.226 -15.490 -19.313
218 1HB TYR 37 2HB TYR 37 -2.400 -17.106 -16.770
219 2HB TYR 37 1HB TYR 37 -3.547 -15.939 -17.406
220 HD1 TYR 37 HD2 TYR 37 -3.688 -17.335 -20.298
221 HD2 TYR 37 HD1 TYR 37 -4.107 -18.751 -16.353
222 HE1 TYR 37 HE2 TYR 37 -5.126 -19.078 -21.107
223 HE2 TYR 37 HE1 TYR 37 -5.576 -20.536 -17.171
224 HH TYR 37 HH TYR 37 -7.158 -20.726 -19.224
225 H SER 38 H SER 38 -1.148 -13.645 -18.923
226 HA SER 38 HA SER 38 0.636 -13.757 -16.539
227 1HB SER 38 2HB SER 38 2.005 -14.110 -18.594
228 2HB SER 38 1HB SER 38 1.406 -12.598 -19.284
229 HG SER 38 HG SER 38 3.281 -12.987 -17.290
230 H GLY 39 H GLY 39 1.444 -10.993 -17.636
231 1HA GLY 39 2HA GLY 39 0.812 -8.757 -17.334
232 2HA GLY 39 1HA GLY 39 -0.867 -9.272 -17.307
233 H ASP 40 H ASP 40 0.337 -11.171 -15.041
234 HA ASP 40 HA ASP 40 1.040 -10.859 -12.731
235 1HB ASP 40 2HB ASP 40 1.164 -8.285 -13.123
236 2HB ASP 40 1HB ASP 40 -0.537 -8.277 -12.693
237 H ARG 41 H ARG 41 -1.950 -10.897 -14.245
238 HA ARG 41 HA ARG 41 -3.235 -11.870 -11.793
239 1HB ARG 41 2HB ARG 41 -3.645 -9.323 -12.705
240 2HB ARG 41 1HB ARG 41 -4.827 -10.142 -13.681
241 1HG ARG 41 2HG ARG 41 -4.714 -10.778 -10.798
242 2HG ARG 41 1HG ARG 41 -5.324 -9.208 -11.304
243 1HD ARG 41 2HD ARG 41 -6.486 -11.186 -12.971
244 2HD ARG 41 1HD ARG 41 -6.693 -11.654 -11.299
245 HE ARG 41 HE ARG 41 -7.544 -9.006 -12.344
246 1HH1 ARG 41 2HH1 ARG 41 -8.075 -8.186 -10.131
247 2HH1 ARG 41 1HH1 ARG 41 -9.370 -9.058 -9.350
248 1HH2 ARG 41 1HH2 ARG 41 -8.967 -11.780 -11.524
249 2HH2 ARG 41 2HH2 ARG 41 -9.899 -11.167 -10.198
250 H CYS 42 H CYS 42 -2.403 -12.491 -14.851
251 HA CYS 42 HA CYS 42 -2.921 -14.095 -16.293
252 1HB CYS 42 2HB CYS 42 -5.315 -15.295 -14.970
253 2HB CYS 42 1HB CYS 42 -3.842 -16.087 -15.426
254 H GLN 43 H GLN 43 -4.043 -11.616 -16.120
255 HA GLN 43 HA GLN 43 -6.861 -11.720 -16.970
256 1HB GLN 43 2HB GLN 43 -6.658 -9.273 -16.918
257 2HB GLN 43 1HB GLN 43 -6.006 -9.951 -15.421
258 1HG GLN 43 2HG GLN 43 -3.873 -9.785 -17.375
259 2HG GLN 43 1HG GLN 43 -4.727 -8.251 -17.304
260 1HE2 GLN 43 2HE2 GLN 43 -2.095 -9.075 -14.528
261 2HE2 GLN 43 1HE2 GLN 43 -2.262 -10.067 -15.923
262 H THR 44 H THR 44 -3.821 -11.765 -18.222
263 HA THR 44 HA THR 44 -4.750 -11.222 -21.013
264 HB THR 44 HB THR 44 -3.106 -9.663 -19.777
265 HG1 THR 44 HG1 THR 44 -2.769 -9.200 -21.841
266 1HG2 THR 44 1HG2 THR 44 -1.751 -11.513 -18.857
267 2HG2 THR 44 3HG2 THR 44 -1.022 -11.675 -20.453
268 3HG2 THR 44 2HG2 THR 44 -0.865 -10.161 -19.555
269 H ARG 45 H ARG 45 -5.439 -13.254 -21.209
270 HA ARG 45 HA ARG 45 -3.760 -15.491 -20.464
271 1HB ARG 45 2HB ARG 45 -6.445 -15.463 -21.913
272 2HB ARG 45 1HB ARG 45 -5.753 -16.737 -20.964
273 1HG ARG 45 2HG ARG 45 -5.636 -14.913 -19.051
274 2HG ARG 45 1HG ARG 45 -6.843 -14.110 -20.033
275 1HD ARG 45 2HD ARG 45 -7.120 -16.934 -18.947
276 2HD ARG 45 1HD ARG 45 -7.872 -15.476 -18.283
277 HE ARG 45 HE ARG 45 -8.971 -15.232 -20.578
278 1HH1 ARG 45 1HH2 ARG 45 -7.449 -17.727 -21.451
279 2HH1 ARG 45 2HH2 ARG 45 -8.716 -18.916 -21.464
280 1HH2 ARG 45 2HH1 ARG 45 -10.767 -16.768 -19.548
281 2HH2 ARG 45 1HH1 ARG 45 -10.732 -18.336 -20.272
282 H ASP 46 H ASP 46 -2.077 -15.287 -21.721
283 HA ASP 46 HA ASP 46 -2.187 -14.592 -24.433
284 1HB ASP 46 2HB ASP 46 -0.010 -14.695 -23.196
285 2HB ASP 46 1HB ASP 46 -0.187 -16.432 -22.982
286 H LEU 47 H LEU 47 -2.826 -17.450 -22.837
287 HA LEU 47 HA LEU 47 -3.964 -19.346 -23.328
288 1HB LEU 47 2HB LEU 47 -4.551 -17.669 -25.598
289 2HB LEU 47 1HB LEU 47 -4.137 -19.214 -26.274
290 HG LEU 47 HG LEU 47 -5.996 -20.300 -25.231
291 1HD1 LEU 47 3HD1 LEU 47 -5.956 -17.957 -23.295
292 2HD1 LEU 47 2HD1 LEU 47 -7.468 -18.800 -23.594
293 3HD1 LEU 47 1HD1 LEU 47 -6.105 -19.684 -22.944
294 1HD2 LEU 47 1HD2 LEU 47 -6.511 -18.591 -27.032
295 2HD2 LEU 47 3HD2 LEU 47 -7.863 -18.926 -25.961
296 3HD2 LEU 47 2HD2 LEU 47 -6.925 -17.453 -25.759
297 H ARG 48 HN ARG 48 -2.960 -21.193 -23.172
298 HA ARG 48 HA ARG 48 -0.939 -21.970 -25.177
299 1HB ARG 48 2HB ARG 48 -0.585 -21.566 -22.285
300 2HB ARG 48 1HB ARG 48 -0.290 -23.240 -22.673
301 1HG ARG 48 2HG ARG 48 1.823 -22.105 -22.891
302 2HG ARG 48 1HG ARG 48 1.284 -22.517 -24.501
303 1HD ARG 48 2HD ARG 48 0.427 -19.803 -23.534
304 2HD ARG 48 1HD ARG 48 2.147 -19.989 -23.816
305 HE ARG 48 HE ARG 48 0.006 -20.465 -25.856
306 1HH1 ARG 48 1HH1 ARG 48 3.035 -21.393 -25.645
307 2HH1 ARG 48 2HH1 ARG 48 3.730 -20.434 -26.900
308 1HH2 ARG 48 1HH2 ARG 48 0.749 -18.492 -27.051
309 2HH2 ARG 48 2HH2 ARG 48 2.302 -18.658 -27.799
No H/Q in entry = 309
Start of MODEL 15
1 1H PRO 4 1H PRO 4 1.894 -0.641 0.620
2 2H PRO 4 2H PRO 4 1.472 0.984 0.317
3 HA PRO 4 HA PRO 4 1.936 0.730 -1.821
4 1HB PRO 4 2HB PRO 4 4.514 -0.352 -2.074
5 2HB PRO 4 1HB PRO 4 4.171 1.368 -1.854
6 1HG PRO 4 2HG PRO 4 4.937 -0.708 0.204
7 2HG PRO 4 1HG PRO 4 5.441 0.984 0.107
8 1HD PRO 4 2HD PRO 4 3.528 0.214 1.861
9 2HD PRO 4 1HD PRO 4 3.425 1.777 1.041
10 H GLY 5 H GLY 5 0.739 -0.807 -2.809
11 1HA GLY 5 2HA GLY 5 1.196 -3.089 -3.947
12 2HA GLY 5 1HA GLY 5 1.419 -3.646 -2.290
13 1HN ABA 6 HN ABA 6 -0.240 -5.140 -3.285
14 HA ABA 6 HA ABA 6 -2.902 -4.084 -2.485
15 1HB ABA 6 1HB ABA 6 -2.765 -6.174 -4.621
16 2HB ABA 6 2HB ABA 6 -2.183 -4.598 -5.073
17 1HG ABA 6 1HG ABA 6 -4.967 -5.223 -3.969
18 2HG ABA 6 2HG ABA 6 -4.577 -4.704 -5.597
19 3HG ABA 6 3HG ABA 6 -4.376 -3.590 -4.258
20 HA PRO 7 HA PRO 7 -2.713 -8.308 -0.470
21 1HB PRO 7 2HB PRO 7 -1.366 -7.972 1.886
22 2HB PRO 7 1HB PRO 7 -0.609 -8.531 0.396
23 1HG PRO 7 2HG PRO 7 -0.382 -5.862 1.719
24 2HG PRO 7 1HG PRO 7 0.721 -6.619 0.588
25 1HD PRO 7 2HD PRO 7 -1.311 -4.608 -0.034
26 2HD PRO 7 1HD PRO 7 -0.205 -5.431 -1.151
27 H SER 8 H SER 8 -4.162 -5.844 -0.463
28 HA SER 8 HA SER 8 -5.366 -5.765 2.267
29 1HB SER 8 2HB SER 8 -4.736 -3.549 1.222
30 2HB SER 8 1HB SER 8 -5.874 -3.869 -0.096
31 HG SER 8 HG SER 8 -7.257 -4.367 2.051
32 H SER 9 H SER 9 -5.980 -6.854 -0.960
33 HA SER 9 HA SER 9 -8.446 -8.139 -0.087
34 1HB SER 9 2HB SER 9 -9.384 -5.944 -0.846
35 2HB SER 9 1HB SER 9 -8.463 -6.065 -2.358
36 HG SER 9 HG SER 9 -10.065 -7.229 -3.060
37 H TYR 10 H TYR 10 -8.329 -10.171 -1.037
38 HA TYR 10 HA TYR 10 -6.847 -10.399 -3.530
39 1HB TYR 10 2HB TYR 10 -6.270 -12.751 -2.561
40 2HB TYR 10 1HB TYR 10 -5.389 -11.386 -1.911
41 HD1 TYR 10 HD1 TYR 10 -8.104 -13.725 -1.305
42 HD2 TYR 10 HD2 TYR 10 -5.653 -10.713 0.437
43 HE1 TYR 10 HE1 TYR 10 -8.910 -14.371 0.926
44 HE2 TYR 10 HE2 TYR 10 -6.463 -11.364 2.668
45 HH TYR 10 HH TYR 10 -7.685 -14.049 3.476
46 H ASP 11 H ASP 11 -9.628 -10.018 -3.125
47 HA ASP 11 HA ASP 11 -10.809 -12.559 -3.914
48 1HB ASP 11 2HB ASP 11 -12.121 -11.395 -2.176
49 2HB ASP 11 1HB ASP 11 -12.051 -9.888 -3.087
50 H GLY 12 H GLY 12 -11.449 -12.788 -6.075
51 1HA GLY 12 2HA GLY 12 -11.515 -12.282 -8.395
52 2HA GLY 12 1HA GLY 12 -12.106 -10.692 -7.878
53 H TYR 13 H TYR 13 -9.150 -11.975 -6.804
54 HA TYR 13 HA TYR 13 -7.598 -9.784 -8.005
55 1HB TYR 13 2HB TYR 13 -7.576 -10.494 -5.581
56 2HB TYR 13 1HB TYR 13 -6.648 -11.924 -6.045
57 HD1 TYR 13 HD1 TYR 13 -4.478 -11.485 -7.433
58 HD2 TYR 13 HD2 TYR 13 -6.512 -8.465 -5.224
59 HE1 TYR 13 HE1 TYR 13 -2.475 -10.142 -7.454
60 HE2 TYR 13 HE2 TYR 13 -4.507 -7.126 -5.230
61 HH TYR 13 HH TYR 13 -1.567 -8.195 -5.714
62 H CYS 14 H CYS 14 -8.051 -13.109 -8.349
63 HA CYS 14 HA CYS 14 -5.831 -13.291 -10.340
64 1HB CYS 14 2HB CYS 14 -7.004 -15.575 -8.784
65 2HB CYS 14 1HB CYS 14 -5.526 -15.450 -9.684
66 H LEU 15 H LEU 15 -6.410 -14.355 -12.234
67 HA LEU 15 HA LEU 15 -9.331 -14.506 -12.787
68 1HB LEU 15 2HB LEU 15 -7.131 -13.203 -14.079
69 2HB LEU 15 1HB LEU 15 -7.689 -14.413 -15.164
70 HG LEU 15 HG LEU 15 -9.935 -12.785 -14.154
71 1HD1 LEU 15 1HD1 LEU 15 -7.409 -11.444 -15.145
72 2HD1 LEU 15 3HD1 LEU 15 -8.895 -10.865 -15.856
73 3HD1 LEU 15 2HD1 LEU 15 -8.660 -10.780 -14.135
74 1HD2 LEU 15 2HD2 LEU 15 -8.673 -13.343 -16.889
75 2HD2 LEU 15 1HD2 LEU 15 -10.019 -14.229 -16.187
76 3HD2 LEU 15 3HD2 LEU 15 -10.218 -12.553 -16.669
77 H ASN 16 H ASN 16 -6.428 -16.282 -13.348
78 HA ASN 16 HA ASN 16 -8.028 -18.697 -13.863
79 1HB ASN 16 2HB ASN 16 -6.069 -17.677 -15.951
80 2HB ASN 16 1HB ASN 16 -6.792 -19.282 -15.963
81 1HD2 ASN 16 2HD2 ASN 16 -8.994 -16.094 -17.033
82 2HD2 ASN 16 1HD2 ASN 16 -7.473 -15.833 -16.328
83 H GLY 17 H GLY 17 -4.541 -18.019 -14.419
84 1HA GLY 17 2HA GLY 17 -3.819 -20.626 -13.364
85 2HA GLY 17 1HA GLY 17 -2.684 -19.357 -13.819
86 H GLY 18 H GLY 18 -4.414 -17.566 -12.231
87 1HA GLY 18 2HA GLY 18 -3.487 -16.474 -10.253
88 2HA GLY 18 1HA GLY 18 -5.018 -17.258 -9.936
89 H VAL 19 H VAL 19 -1.519 -17.960 -9.576
90 HA VAL 19 HA VAL 19 -2.256 -19.503 -7.189
91 HB VAL 19 HB VAL 19 0.163 -19.208 -9.072
92 1HG1 VAL 19 1HG1 VAL 19 0.306 -20.189 -6.241
93 2HG1 VAL 19 3HG1 VAL 19 1.469 -20.709 -7.468
94 3HG1 VAL 19 2HG1 VAL 19 1.313 -19.008 -7.062
95 1HG2 VAL 19 1HG2 VAL 19 -1.605 -20.989 -9.417
96 2HG2 VAL 19 3HG2 VAL 19 0.042 -21.572 -9.361
97 3HG2 VAL 19 2HG2 VAL 19 -1.008 -21.775 -7.962
98 1HN ABA 20 HN ABA 20 -2.871 -18.025 -5.964
99 HA ABA 20 HA ABA 20 -1.827 -15.435 -5.588
100 1HB ABA 20 1HB ABA 20 -3.449 -17.305 -3.838
101 2HB ABA 20 2HB ABA 20 -4.005 -16.126 -4.976
102 1HG ABA 20 1HG ABA 20 -3.897 -14.513 -3.178
103 2HG ABA 20 2HG ABA 20 -2.201 -14.885 -2.919
104 3HG ABA 20 3HG ABA 20 -3.409 -15.825 -2.126
105 H MET 21 H MET 21 0.342 -15.427 -5.398
106 HA MET 21 HA MET 21 1.504 -16.657 -2.923
107 1HB MET 21 2HB MET 21 3.709 -16.572 -4.165
108 2HB MET 21 1HB MET 21 2.534 -17.589 -4.966
109 1HG MET 21 2HG MET 21 2.052 -15.863 -6.611
110 2HG MET 21 1HG MET 21 2.986 -14.687 -5.734
111 1HE MET 21 1HE MET 21 3.406 -18.273 -7.126
112 2HE MET 21 3HE MET 21 5.064 -18.259 -7.718
113 3HE MET 21 2HE MET 21 4.749 -18.174 -5.987
114 H HIS 22 H HIS 22 3.425 -15.207 -2.142
115 HA HIS 22 HA HIS 22 2.418 -12.398 -2.347
116 1HB HIS 22 2HB HIS 22 2.411 -13.507 -0.149
117 2HB HIS 22 1HB HIS 22 4.184 -13.609 -0.258
118 HD1 HIS 22 HD1 HIS 22 3.326 -10.415 -1.642
119 HD2 HIS 22 HD2 HIS 22 3.571 -12.021 2.192
120 HE1 HIS 22 HE1 HIS 22 3.555 -8.583 -0.023
121 H ILE 23 H ILE 23 3.664 -11.089 -3.547
122 HA ILE 23 HA ILE 23 6.353 -11.965 -4.121
123 HB ILE 23 HB ILE 23 4.229 -11.197 -5.735
124 1HG1 ILE 23 2HG1 ILE 23 6.233 -10.876 -7.407
125 2HG1 ILE 23 1HG1 ILE 23 7.157 -11.563 -6.096
126 1HG2 ILE 23 2HG2 ILE 23 4.804 -8.814 -4.876
127 2HG2 ILE 23 1HG2 ILE 23 6.139 -8.882 -5.986
128 3HG2 ILE 23 3HG2 ILE 23 4.486 -9.009 -6.582
129 1HD1 ILE 23 3HD1 ILE 23 5.160 -13.392 -6.115
130 2HD1 ILE 23 2HD1 ILE 23 4.988 -12.843 -7.771
131 3HD1 ILE 23 1HD1 ILE 23 6.496 -13.537 -7.236
132 H GLU 24 H GLU 24 5.312 -10.448 -1.787
133 HA GLU 24 HA GLU 24 5.748 -7.830 -1.456
134 1HB GLU 24 2HB GLU 24 5.975 -9.999 0.371
135 2HB GLU 24 1HB GLU 24 7.573 -9.313 0.453
136 1HG GLU 24 2HG GLU 24 5.217 -7.398 0.683
137 2HG GLU 24 1HG GLU 24 5.671 -8.358 2.071
138 H SER 25 H SER 25 8.203 -10.049 -1.607
139 HA SER 25 HA SER 25 10.601 -9.062 -1.451
140 1HB SER 25 2HB SER 25 9.835 -10.523 -4.001
141 2HB SER 25 1HB SER 25 11.210 -10.884 -2.942
142 HG SER 25 HG SER 25 9.841 -12.194 -1.950
143 H LEU 26 H LEU 26 8.726 -8.598 -4.182
144 HA LEU 26 HA LEU 26 10.457 -6.408 -5.209
145 1HB LEU 26 2HB LEU 26 8.546 -7.039 -7.224
146 2HB LEU 26 1HB LEU 26 10.270 -7.307 -7.287
147 HG LEU 26 HG LEU 26 8.390 -9.145 -5.893
148 1HD1 LEU 26 1HD1 LEU 26 9.198 -9.211 -8.853
149 2HD1 LEU 26 3HD1 LEU 26 8.374 -10.533 -8.049
150 3HD1 LEU 26 2HD1 LEU 26 7.573 -8.985 -8.228
151 1HD2 LEU 26 2HD2 LEU 26 10.990 -9.348 -5.629
152 2HD2 LEU 26 1HD2 LEU 26 10.220 -10.816 -6.210
153 3HD2 LEU 26 3HD2 LEU 26 11.056 -9.755 -7.326
154 H ASP 27 H ASP 27 7.204 -7.343 -4.447
155 HA ASP 27 HA ASP 27 6.508 -4.492 -4.298
156 1HB ASP 27 2HB ASP 27 5.247 -6.430 -6.268
157 2HB ASP 27 1HB ASP 27 4.315 -5.064 -5.684
158 H SER 28 H SER 28 4.281 -7.187 -4.495
159 HA SER 28 HA SER 28 3.727 -7.132 -1.582
160 1HB SER 28 2HB SER 28 1.787 -5.898 -1.547
161 2HB SER 28 1HB SER 28 2.753 -5.025 -2.726
162 HG SER 28 HG SER 28 1.711 -6.241 -4.375
163 H TYR 29 H TYR 29 0.934 -7.824 -2.563
164 HA TYR 29 HA TYR 29 1.552 -10.777 -2.927
165 1HB TYR 29 2HB TYR 29 -0.174 -10.787 -1.231
166 2HB TYR 29 1HB TYR 29 -0.773 -9.207 -1.722
167 HD1 TYR 29 HD2 TYR 29 -0.514 -12.620 -3.261
168 HD2 TYR 29 HD1 TYR 29 -2.984 -9.221 -2.597
169 HE1 TYR 29 HE2 TYR 29 -2.280 -13.647 -4.539
170 HE2 TYR 29 HE1 TYR 29 -4.764 -10.302 -3.861
171 HH TYR 29 HH TYR 29 -4.299 -13.333 -5.593
172 H THR 30 H THR 30 0.948 -11.951 -4.576
173 HA THR 30 HA THR 30 -0.619 -10.683 -6.676
174 HB THR 30 HB THR 30 1.999 -10.104 -6.503
175 HG1 THR 30 HG1 THR 30 0.917 -9.169 -8.122
176 1HG2 THR 30 3HG2 THR 30 2.644 -12.572 -6.966
177 2HG2 THR 30 2HG2 THR 30 1.987 -12.341 -8.584
178 3HG2 THR 30 1HG2 THR 30 3.345 -11.366 -8.040
179 H CYS 31 H CYS 31 -0.714 -12.204 -8.658
180 HA CYS 31 HA CYS 31 -0.845 -15.001 -7.573
181 1HB CYS 31 2HB CYS 31 -2.887 -13.353 -8.778
182 2HB CYS 31 1HB CYS 31 -2.541 -14.669 -9.856
183 H ASN 32 H ASN 32 0.300 -16.444 -8.614
184 HA ASN 32 HA ASN 32 1.873 -15.548 -10.963
185 1HB ASN 32 2HB ASN 32 3.187 -16.917 -9.355
186 2HB ASN 32 1HB ASN 32 1.965 -18.183 -9.356
187 1HD2 ASN 32 2HD2 ASN 32 4.026 -19.593 -11.950
188 2HD2 ASN 32 1HD2 ASN 32 3.600 -19.776 -10.306
189 H CYS 33 H CYS 33 0.906 -15.938 -12.860
190 HA CYS 33 HA CYS 33 -1.447 -17.694 -13.017
191 1HB CYS 33 2HB CYS 33 -0.317 -15.686 -15.017
192 2HB CYS 33 1HB CYS 33 -1.776 -16.605 -15.121
193 H VAL 34 H VAL 34 -0.080 -17.511 -16.005
194 HA VAL 34 HA VAL 34 1.560 -19.911 -15.647
195 HB VAL 34 HB VAL 34 -0.775 -20.773 -15.655
196 1HG1 VAL 34 3HG1 VAL 34 -1.628 -18.856 -17.058
197 2HG1 VAL 34 2HG1 VAL 34 -1.244 -19.855 -18.459
198 3HG1 VAL 34 1HG1 VAL 34 -2.332 -20.450 -17.231
199 1HG2 VAL 34 1HG2 VAL 34 0.961 -22.202 -16.803
200 2HG2 VAL 34 3HG2 VAL 34 -0.694 -22.463 -17.316
201 3HG2 VAL 34 2HG2 VAL 34 0.383 -21.555 -18.340
202 H ILE 35 H ILE 35 2.367 -20.756 -17.504
203 HA ILE 35 HA ILE 35 3.824 -18.920 -19.054
204 HB ILE 35 HB ILE 35 4.585 -21.142 -19.081
205 1HG1 ILE 35 2HG1 ILE 35 3.128 -21.208 -21.776
206 2HG1 ILE 35 1HG1 ILE 35 4.374 -20.018 -21.485
207 1HG2 ILE 35 1HG2 ILE 35 1.779 -22.047 -19.822
208 2HG2 ILE 35 3HG2 ILE 35 3.156 -23.118 -19.814
209 3HG2 ILE 35 2HG2 ILE 35 2.649 -22.390 -18.323
210 1HD1 ILE 35 3HD1 ILE 35 4.879 -23.003 -21.108
211 2HD1 ILE 35 2HD1 ILE 35 5.180 -22.154 -22.613
212 3HD1 ILE 35 1HD1 ILE 35 6.072 -21.715 -21.169
213 H GLY 36 H GLY 36 0.630 -19.990 -19.316
214 1HA GLY 36 2HA GLY 36 0.188 -18.737 -21.938
215 2HA GLY 36 1HA GLY 36 -0.941 -19.809 -21.158
216 H TYR 37 H TYR 37 -0.488 -17.933 -18.661
217 HA TYR 37 HA TYR 37 -2.167 -15.639 -19.543
218 1HB TYR 37 2HB TYR 37 -2.631 -16.863 -16.833
219 2HB TYR 37 1HB TYR 37 -3.748 -15.950 -17.810
220 HD1 TYR 37 HD1 TYR 37 -3.575 -17.776 -20.361
221 HD2 TYR 37 HD2 TYR 37 -4.052 -18.686 -16.244
222 HE1 TYR 37 HE1 TYR 37 -4.697 -19.825 -20.959
223 HE2 TYR 37 HE2 TYR 37 -5.185 -20.760 -16.856
224 HH TYR 37 HH TYR 37 -5.192 -22.350 -18.891
225 H SER 38 H SER 38 -1.365 -13.754 -18.988
226 HA SER 38 HA SER 38 0.608 -13.747 -16.732
227 1HB SER 38 2HB SER 38 1.744 -13.878 -18.991
228 2HB SER 38 1HB SER 38 1.068 -12.293 -19.394
229 HG SER 38 HG SER 38 3.128 -12.922 -17.712
230 H GLY 39 H GLY 39 1.299 -10.981 -17.373
231 1HA GLY 39 2HA GLY 39 0.503 -8.744 -17.074
232 2HA GLY 39 1HA GLY 39 -1.104 -9.359 -16.663
233 H ASP 40 H ASP 40 -0.641 -11.139 -14.991
234 HA ASP 40 HA ASP 40 0.582 -11.735 -12.849
235 1HB ASP 40 2HB ASP 40 0.301 -8.717 -12.558
236 2HB ASP 40 1HB ASP 40 0.089 -9.704 -11.147
237 H ARG 41 H ARG 41 -2.241 -11.007 -14.203
238 HA ARG 41 HA ARG 41 -3.842 -11.702 -11.807
239 1HB ARG 41 2HB ARG 41 -4.079 -9.350 -13.297
240 2HB ARG 41 1HB ARG 41 -5.281 -10.358 -14.088
241 1HG ARG 41 2HG ARG 41 -5.098 -10.097 -11.126
242 2HG ARG 41 1HG ARG 41 -6.040 -8.972 -12.046
243 1HD ARG 41 2HD ARG 41 -6.976 -11.301 -12.978
244 2HD ARG 41 1HD ARG 41 -6.407 -11.746 -11.398
245 HE ARG 41 HE ARG 41 -7.708 -9.676 -10.612
246 1HH1 ARG 41 2HH1 ARG 41 -9.230 -8.682 -12.483
247 2HH1 ARG 41 1HH1 ARG 41 -10.674 -9.628 -12.645
248 1HH2 ARG 41 1HH2 ARG 41 -9.106 -12.311 -10.971
249 2HH2 ARG 41 2HH2 ARG 41 -10.589 -11.864 -11.728
250 H CYS 42 H CYS 42 -3.102 -12.237 -15.050
251 HA CYS 42 HA CYS 42 -3.270 -14.051 -16.390
252 1HB CYS 42 2HB CYS 42 -5.650 -15.243 -14.964
253 2HB CYS 42 1HB CYS 42 -4.339 -16.055 -15.758
254 H GLN 43 H GLN 43 -4.402 -11.728 -16.416
255 HA GLN 43 HA GLN 43 -7.208 -11.785 -17.372
256 1HB GLN 43 2HB GLN 43 -6.670 -9.250 -17.798
257 2HB GLN 43 1HB GLN 43 -6.716 -9.733 -16.126
258 1HG GLN 43 2HG GLN 43 -4.609 -8.559 -16.169
259 2HG GLN 43 1HG GLN 43 -4.042 -10.115 -16.491
260 1HE2 GLN 43 2HE2 GLN 43 -2.494 -8.833 -19.196
261 2HE2 GLN 43 1HE2 GLN 43 -2.492 -9.806 -17.799
262 H THR 44 H THR 44 -4.032 -11.843 -18.457
263 HA THR 44 HA THR 44 -4.867 -11.589 -21.326
264 HB THR 44 HB THR 44 -3.107 -9.992 -20.811
265 HG1 THR 44 HG1 THR 44 -2.073 -10.649 -22.557
266 1HG2 THR 44 1HG2 THR 44 -2.296 -11.542 -18.766
267 2HG2 THR 44 3HG2 THR 44 -1.150 -12.070 -19.981
268 3HG2 THR 44 2HG2 THR 44 -1.222 -10.378 -19.517
269 H ARG 45 H ARG 45 -5.751 -13.652 -21.136
270 HA ARG 45 HA ARG 45 -4.066 -15.895 -20.358
271 1HB ARG 45 2HB ARG 45 -6.631 -16.216 -21.963
272 2HB ARG 45 1HB ARG 45 -6.031 -17.111 -20.605
273 1HG ARG 45 2HG ARG 45 -6.429 -14.939 -19.213
274 2HG ARG 45 1HG ARG 45 -7.483 -14.496 -20.555
275 1HD ARG 45 2HD ARG 45 -7.713 -17.038 -18.878
276 2HD ARG 45 1HD ARG 45 -8.768 -15.619 -18.809
277 HE ARG 45 HE ARG 45 -8.529 -17.149 -21.345
278 1HH1 ARG 45 2HH1 ARG 45 -10.413 -15.311 -21.817
279 2HH1 ARG 45 1HH1 ARG 45 -11.909 -15.854 -21.146
280 1HH2 ARG 45 1HH2 ARG 45 -10.244 -18.143 -19.044
281 2HH2 ARG 45 2HH2 ARG 45 -11.806 -17.560 -19.490
282 H ASP 46 H ASP 46 -2.397 -15.465 -21.634
283 HA ASP 46 HA ASP 46 -2.526 -14.757 -24.351
284 1HB ASP 46 2HB ASP 46 -0.379 -14.621 -23.092
285 2HB ASP 46 1HB ASP 46 -0.326 -16.375 -22.935
286 H LEU 47 H LEU 47 -2.897 -17.634 -22.650
287 HA LEU 47 HA LEU 47 -3.844 -19.687 -23.095
288 1HB LEU 47 2HB LEU 47 -4.473 -18.199 -25.482
289 2HB LEU 47 1HB LEU 47 -3.801 -19.686 -26.093
290 HG LEU 47 HG LEU 47 -5.906 -19.660 -23.873
291 1HD1 LEU 47 1HD1 LEU 47 -6.409 -19.478 -26.864
292 2HD1 LEU 47 3HD1 LEU 47 -7.638 -19.817 -25.649
293 3HD1 LEU 47 2HD1 LEU 47 -6.815 -18.272 -25.654
294 1HD2 LEU 47 3HD2 LEU 47 -4.759 -21.839 -24.439
295 2HD2 LEU 47 2HD2 LEU 47 -6.473 -21.876 -24.790
296 3HD2 LEU 47 1HD2 LEU 47 -5.327 -21.676 -26.098
297 H ARG 48 HN ARG 48 -2.849 -21.259 -25.554
298 HA ARG 48 HA ARG 48 -1.013 -22.699 -25.884
299 1HB ARG 48 2HB ARG 48 0.510 -20.076 -25.463
300 2HB ARG 48 1HB ARG 48 1.099 -21.458 -26.358
301 1HG ARG 48 2HG ARG 48 -0.089 -20.926 -28.242
302 2HG ARG 48 1HG ARG 48 -1.535 -20.485 -27.364
303 1HD ARG 48 2HD ARG 48 -0.568 -18.280 -26.793
304 2HD ARG 48 1HD ARG 48 0.935 -18.696 -27.588
305 HE ARG 48 HE ARG 48 -0.460 -18.959 -29.722
306 1HH1 ARG 48 1HH2 ARG 48 -2.422 -17.825 -27.280
307 2HH1 ARG 48 2HH2 ARG 48 -3.022 -16.467 -28.116
308 1HH2 ARG 48 1HH1 ARG 48 -0.699 -16.880 -30.747
309 2HH2 ARG 48 2HH1 ARG 48 -1.986 -15.879 -30.187
No H/Q in entry = 309
Start of MODEL 16
1 1H PRO 4 1H PRO 4 2.297 -0.433 -5.599
2 2H PRO 4 2H PRO 4 1.381 0.727 -6.445
3 HA PRO 4 HA PRO 4 0.405 -0.883 -7.609
4 1HB PRO 4 2HB PRO 4 2.413 -2.417 -8.841
5 2HB PRO 4 1HB PRO 4 1.811 -0.882 -9.467
6 1HG PRO 4 2HG PRO 4 4.289 -1.428 -7.843
7 2HG PRO 4 1HG PRO 4 4.062 -0.259 -9.140
8 1HD PRO 4 2HD PRO 4 4.067 0.495 -6.523
9 2HD PRO 4 1HD PRO 4 3.078 1.329 -7.725
10 H GLY 5 H GLY 5 0.190 -1.492 -5.171
11 1HA GLY 5 2HA GLY 5 0.839 -4.389 -4.944
12 2HA GLY 5 1HA GLY 5 1.103 -3.304 -3.567
13 1HN ABA 6 HN ABA 6 -0.766 -5.613 -3.896
14 HA ABA 6 HA ABA 6 -3.201 -4.115 -3.085
15 1HB ABA 6 1HB ABA 6 -4.034 -6.562 -4.418
16 2HB ABA 6 2HB ABA 6 -2.854 -5.771 -5.435
17 1HG ABA 6 1HG ABA 6 -4.492 -4.346 -6.160
18 2HG ABA 6 2HG ABA 6 -4.623 -3.674 -4.551
19 3HG ABA 6 3HG ABA 6 -5.640 -5.020 -5.020
20 HA PRO 7 HA PRO 7 -2.463 -8.192 -0.777
21 1HB PRO 7 2HB PRO 7 -0.726 -7.837 1.187
22 2HB PRO 7 1HB PRO 7 -0.135 -7.993 -0.442
23 1HG PRO 7 2HG PRO 7 -0.506 -5.412 1.092
24 2HG PRO 7 1HG PRO 7 0.833 -5.898 0.060
25 1HD PRO 7 2HD PRO 7 -1.303 -4.299 -0.853
26 2HD PRO 7 1HD PRO 7 -0.346 -5.338 -1.913
27 H SER 8 H SER 8 -4.055 -5.734 -0.278
28 HA SER 8 HA SER 8 -4.827 -6.077 2.578
29 1HB SER 8 2HB SER 8 -4.435 -3.721 1.729
30 2HB SER 8 1HB SER 8 -5.722 -3.961 0.546
31 HG SER 8 HG SER 8 -6.775 -4.739 2.828
32 H SER 9 H SER 9 -5.822 -6.796 -0.642
33 HA SER 9 HA SER 9 -8.115 -8.295 0.361
34 1HB SER 9 2HB SER 9 -9.166 -6.040 -0.001
35 2HB SER 9 1HB SER 9 -8.515 -6.018 -1.656
36 HG SER 9 HG SER 9 -10.242 -7.188 -2.134
37 H TYR 10 H TYR 10 -8.187 -10.141 -0.912
38 HA TYR 10 HA TYR 10 -6.894 -9.999 -3.516
39 1HB TYR 10 2HB TYR 10 -6.355 -12.526 -2.941
40 2HB TYR 10 1HB TYR 10 -5.361 -11.256 -2.278
41 HD1 TYR 10 HD1 TYR 10 -8.048 -13.614 -1.444
42 HD2 TYR 10 HD2 TYR 10 -5.277 -10.765 0.070
43 HE1 TYR 10 HE1 TYR 10 -8.501 -14.387 0.847
44 HE2 TYR 10 HE2 TYR 10 -5.722 -11.530 2.346
45 HH TYR 10 HH TYR 10 -6.948 -12.961 3.665
46 H ASP 11 H ASP 11 -9.754 -10.285 -2.147
47 HA ASP 11 HA ASP 11 -10.975 -12.563 -3.300
48 1HB ASP 11 2HB ASP 11 -13.034 -10.650 -3.436
49 2HB ASP 11 1HB ASP 11 -12.681 -11.613 -2.022
50 H GLY 12 H GLY 12 -11.218 -13.051 -5.382
51 1HA GLY 12 2HA GLY 12 -11.346 -12.823 -7.724
52 2HA GLY 12 1HA GLY 12 -12.084 -11.252 -7.428
53 H TYR 13 H TYR 13 -8.853 -12.236 -6.406
54 HA TYR 13 HA TYR 13 -7.742 -9.953 -7.971
55 1HB TYR 13 2HB TYR 13 -7.048 -10.215 -5.578
56 2HB TYR 13 1HB TYR 13 -6.437 -11.840 -5.875
57 HD1 TYR 13 HD2 TYR 13 -4.509 -12.090 -7.569
58 HD2 TYR 13 HD1 TYR 13 -5.619 -8.310 -5.948
59 HE1 TYR 13 HE2 TYR 13 -2.351 -11.175 -8.224
60 HE2 TYR 13 HE1 TYR 13 -3.441 -7.409 -6.608
61 HH TYR 13 HH TYR 13 -1.713 -8.320 -8.753
62 H CYS 14 H CYS 14 -7.968 -13.339 -8.307
63 HA CYS 14 HA CYS 14 -5.850 -13.273 -10.416
64 1HB CYS 14 2HB CYS 14 -6.895 -15.700 -8.923
65 2HB CYS 14 1HB CYS 14 -5.524 -15.558 -9.924
66 H LEU 15 H LEU 15 -6.416 -14.244 -12.423
67 HA LEU 15 HA LEU 15 -9.362 -14.404 -12.910
68 1HB LEU 15 2HB LEU 15 -7.243 -13.039 -14.272
69 2HB LEU 15 1HB LEU 15 -7.800 -14.286 -15.328
70 HG LEU 15 HG LEU 15 -10.220 -13.192 -14.595
71 1HD1 LEU 15 1HD1 LEU 15 -8.118 -10.951 -14.563
72 2HD1 LEU 15 3HD1 LEU 15 -9.843 -10.674 -14.613
73 3HD1 LEU 15 2HD1 LEU 15 -9.117 -11.452 -13.235
74 1HD2 LEU 15 2HD2 LEU 15 -8.485 -13.209 -16.926
75 2HD2 LEU 15 1HD2 LEU 15 -10.211 -12.958 -16.882
76 3HD2 LEU 15 3HD2 LEU 15 -9.127 -11.590 -16.753
77 H ASN 16 H ASN 16 -6.464 -16.118 -13.502
78 HA ASN 16 HA ASN 16 -8.044 -18.497 -14.255
79 1HB ASN 16 2HB ASN 16 -6.037 -17.166 -16.043
80 2HB ASN 16 1HB ASN 16 -6.184 -18.928 -16.049
81 1HD2 ASN 16 2HD2 ASN 16 -9.252 -16.800 -17.517
82 2HD2 ASN 16 1HD2 ASN 16 -8.209 -16.016 -16.428
83 H GLY 17 H GLY 17 -4.533 -18.278 -14.672
84 1HA GLY 17 2HA GLY 17 -4.202 -20.778 -13.160
85 2HA GLY 17 1HA GLY 17 -3.003 -20.011 -14.176
86 H GLY 18 H GLY 18 -4.518 -17.739 -12.461
87 1HA GLY 18 2HA GLY 18 -2.446 -16.651 -11.061
88 2HA GLY 18 1HA GLY 18 -4.113 -16.387 -10.722
89 H VAL 19 H VAL 19 -1.330 -18.024 -9.927
90 HA VAL 19 HA VAL 19 -2.564 -19.392 -7.626
91 HB VAL 19 HB VAL 19 -0.049 -19.640 -9.267
92 1HG1 VAL 19 3HG1 VAL 19 0.226 -19.853 -6.236
93 2HG1 VAL 19 2HG1 VAL 19 1.340 -20.639 -7.345
94 3HG1 VAL 19 1HG1 VAL 19 1.203 -18.899 -7.324
95 1HG2 VAL 19 3HG2 VAL 19 -1.762 -21.357 -9.170
96 2HG2 VAL 19 2HG2 VAL 19 -0.205 -21.990 -8.661
97 3HG2 VAL 19 1HG2 VAL 19 -1.439 -21.614 -7.456
98 1HN ABA 20 HN ABA 20 -3.050 -18.109 -6.159
99 HA ABA 20 HA ABA 20 -1.921 -15.556 -5.700
100 1HB ABA 20 1HB ABA 20 -3.464 -17.427 -3.841
101 2HB ABA 20 2HB ABA 20 -4.134 -16.284 -4.951
102 1HG ABA 20 1HG ABA 20 -3.426 -15.843 -2.177
103 2HG ABA 20 2HG ABA 20 -3.781 -14.552 -3.297
104 3HG ABA 20 3HG ABA 20 -2.122 -15.074 -3.013
105 H MET 21 H MET 21 0.071 -15.209 -5.198
106 HA MET 21 HA MET 21 1.418 -16.774 -3.067
107 1HB MET 21 2HB MET 21 3.534 -16.655 -4.421
108 2HB MET 21 1HB MET 21 2.312 -17.562 -5.292
109 1HG MET 21 2HG MET 21 1.805 -15.708 -6.712
110 2HG MET 21 1HG MET 21 2.802 -14.618 -5.793
111 1HE MET 21 3HE MET 21 5.516 -15.898 -5.391
112 2HE MET 21 2HE MET 21 5.088 -17.536 -5.908
113 3HE MET 21 1HE MET 21 6.296 -16.616 -6.796
114 H HIS 22 H HIS 22 3.296 -15.209 -2.265
115 HA HIS 22 HA HIS 22 2.192 -12.436 -2.488
116 1HB HIS 22 2HB HIS 22 2.206 -13.503 -0.236
117 2HB HIS 22 1HB HIS 22 3.978 -13.549 -0.343
118 HD1 HIS 22 HD1 HIS 22 3.201 -10.425 -1.842
119 HD2 HIS 22 HD2 HIS 22 3.134 -11.889 2.061
120 HE1 HIS 22 HE1 HIS 22 3.303 -8.546 -0.290
121 H ILE 23 H ILE 23 3.507 -11.028 -3.604
122 HA ILE 23 HA ILE 23 6.203 -11.964 -4.121
123 HB ILE 23 HB ILE 23 4.111 -11.068 -5.758
124 1HG1 ILE 23 2HG1 ILE 23 6.102 -10.997 -7.445
125 2HG1 ILE 23 1HG1 ILE 23 7.009 -11.660 -6.109
126 1HG2 ILE 23 2HG2 ILE 23 4.876 -8.737 -4.971
127 2HG2 ILE 23 1HG2 ILE 23 6.261 -8.965 -5.997
128 3HG2 ILE 23 3HG2 ILE 23 4.643 -8.949 -6.696
129 1HD1 ILE 23 3HD1 ILE 23 4.958 -13.370 -5.954
130 2HD1 ILE 23 2HD1 ILE 23 4.694 -12.888 -7.623
131 3HD1 ILE 23 1HD1 ILE 23 6.202 -13.628 -7.157
132 H GLU 24 H GLU 24 5.059 -10.349 -1.873
133 HA GLU 24 HA GLU 24 5.603 -7.774 -1.530
134 1HB GLU 24 2HB GLU 24 5.671 -9.918 0.336
135 2HB GLU 24 1HB GLU 24 7.272 -9.245 0.513
136 1HG GLU 24 2HG GLU 24 4.730 -7.534 0.707
137 2HG GLU 24 1HG GLU 24 5.602 -8.159 2.082
138 H SER 25 H SER 25 8.098 -9.998 -1.398
139 HA SER 25 HA SER 25 10.414 -8.813 -1.107
140 1HB SER 25 2HB SER 25 9.639 -10.672 -3.368
141 2HB SER 25 1HB SER 25 11.318 -10.472 -2.819
142 HG SER 25 HG SER 25 10.795 -11.612 -1.075
143 H LEU 26 H LEU 26 8.724 -8.588 -3.980
144 HA LEU 26 HA LEU 26 10.524 -6.479 -5.065
145 1HB LEU 26 2HB LEU 26 8.693 -7.225 -7.111
146 2HB LEU 26 1HB LEU 26 10.415 -7.500 -7.090
147 HG LEU 26 HG LEU 26 8.433 -9.220 -5.692
148 1HD1 LEU 26 2HD1 LEU 26 7.871 -9.198 -8.126
149 2HD1 LEU 26 1HD1 LEU 26 9.534 -9.587 -8.535
150 3HD1 LEU 26 3HD1 LEU 26 8.530 -10.765 -7.710
151 1HD2 LEU 26 2HD2 LEU 26 11.026 -9.384 -5.211
152 2HD2 LEU 26 1HD2 LEU 26 10.224 -10.899 -5.598
153 3HD2 LEU 26 3HD2 LEU 26 11.168 -10.059 -6.815
154 H ASP 27 H ASP 27 7.225 -7.385 -4.460
155 HA ASP 27 HA ASP 27 6.528 -4.534 -4.467
156 1HB ASP 27 2HB ASP 27 5.381 -6.563 -6.422
157 2HB ASP 27 1HB ASP 27 4.407 -5.183 -5.954
158 H SER 28 H SER 28 4.260 -7.175 -4.652
159 HA SER 28 HA SER 28 3.564 -6.911 -1.778
160 1HB SER 28 2HB SER 28 1.779 -5.490 -1.957
161 2HB SER 28 1HB SER 28 2.548 -4.982 -3.437
162 HG SER 28 HG SER 28 1.182 -6.924 -4.367
163 H TYR 29 H TYR 29 0.822 -7.752 -2.620
164 HA TYR 29 HA TYR 29 1.461 -10.698 -2.920
165 1HB TYR 29 2HB TYR 29 -0.307 -10.596 -1.256
166 2HB TYR 29 1HB TYR 29 -0.914 -9.066 -1.908
167 HD1 TYR 29 HD1 TYR 29 -0.505 -12.554 -3.096
168 HD2 TYR 29 HD2 TYR 29 -3.014 -9.126 -2.935
169 HE1 TYR 29 HE1 TYR 29 -2.158 -13.695 -4.437
170 HE2 TYR 29 HE2 TYR 29 -4.691 -10.313 -4.246
171 HH TYR 29 HH TYR 29 -4.017 -13.429 -5.703
172 H THR 30 H THR 30 0.730 -11.864 -4.605
173 HA THR 30 HA THR 30 -0.742 -10.563 -6.706
174 HB THR 30 HB THR 30 1.888 -9.945 -6.516
175 HG1 THR 30 HG1 THR 30 0.148 -9.353 -8.103
176 1HG2 THR 30 3HG2 THR 30 2.570 -12.375 -6.986
177 2HG2 THR 30 2HG2 THR 30 1.941 -12.147 -8.615
178 3HG2 THR 30 1HG2 THR 30 3.264 -11.150 -8.041
179 H CYS 31 H CYS 31 -0.407 -12.203 -8.798
180 HA CYS 31 HA CYS 31 -0.720 -14.934 -7.593
181 1HB CYS 31 2HB CYS 31 -2.679 -13.349 -8.943
182 2HB CYS 31 1HB CYS 31 -2.235 -14.619 -10.051
183 H ASN 32 H ASN 32 -0.050 -16.648 -8.877
184 HA ASN 32 HA ASN 32 2.029 -15.957 -10.939
185 1HB ASN 32 2HB ASN 32 2.646 -17.226 -8.755
186 2HB ASN 32 1HB ASN 32 1.766 -18.590 -9.413
187 1HD2 ASN 32 2HD2 ASN 32 4.608 -19.535 -11.237
188 2HD2 ASN 32 1HD2 ASN 32 3.303 -20.022 -10.255
189 H CYS 33 H CYS 33 0.483 -15.683 -12.486
190 HA CYS 33 HA CYS 33 -1.486 -17.541 -13.224
191 1HB CYS 33 2HB CYS 33 -0.033 -15.606 -15.102
192 2HB CYS 33 1HB CYS 33 -1.591 -16.305 -15.245
193 H VAL 34 H VAL 34 -1.547 -18.681 -15.330
194 HA VAL 34 HA VAL 34 0.642 -20.550 -15.282
195 HB VAL 34 HB VAL 34 -1.729 -21.149 -15.882
196 1HG1 VAL 34 1HG1 VAL 34 -1.942 -19.009 -17.371
197 2HG1 VAL 34 3HG1 VAL 34 -1.564 -20.139 -18.666
198 3HG1 VAL 34 2HG1 VAL 34 -2.916 -20.451 -17.613
199 1HG2 VAL 34 1HG2 VAL 34 0.148 -22.646 -16.758
200 2HG2 VAL 34 3HG2 VAL 34 -1.375 -22.725 -17.629
201 3HG2 VAL 34 2HG2 VAL 34 -0.047 -21.830 -18.312
202 H ILE 35 H ILE 35 1.753 -21.145 -17.087
203 HA ILE 35 HA ILE 35 3.497 -19.157 -18.086
204 HB ILE 35 HB ILE 35 4.265 -21.407 -18.152
205 1HG1 ILE 35 2HG1 ILE 35 3.588 -21.023 -21.105
206 2HG1 ILE 35 1HG1 ILE 35 4.751 -19.995 -20.295
207 1HG2 ILE 35 2HG2 ILE 35 1.690 -22.069 -19.635
208 2HG2 ILE 35 1HG2 ILE 35 3.020 -23.201 -19.506
209 3HG2 ILE 35 3HG2 ILE 35 2.210 -22.667 -18.059
210 1HD1 ILE 35 3HD1 ILE 35 5.841 -22.285 -19.525
211 2HD1 ILE 35 2HD1 ILE 35 4.952 -22.950 -20.883
212 3HD1 ILE 35 1HD1 ILE 35 6.138 -21.686 -21.141
213 H GLY 36 H GLY 36 0.454 -20.124 -19.070
214 1HA GLY 36 2HA GLY 36 0.591 -18.823 -21.700
215 2HA GLY 36 1HA GLY 36 -0.786 -19.707 -21.089
216 H TYR 37 H TYR 37 -0.713 -18.066 -18.503
217 HA TYR 37 HA TYR 37 -1.940 -15.552 -19.620
218 1HB TYR 37 2HB TYR 37 -2.551 -16.851 -16.968
219 2HB TYR 37 1HB TYR 37 -3.539 -15.704 -17.868
220 HD1 TYR 37 HD1 TYR 37 -3.083 -17.379 -20.619
221 HD2 TYR 37 HD2 TYR 37 -4.437 -18.379 -16.740
222 HE1 TYR 37 HE1 TYR 37 -4.360 -19.181 -21.553
223 HE2 TYR 37 HE2 TYR 37 -5.760 -20.221 -17.709
224 HH TYR 37 HH TYR 37 -6.634 -20.979 -19.746
225 H SER 38 H SER 38 -1.374 -13.637 -18.865
226 HA SER 38 HA SER 38 0.604 -13.642 -16.668
227 1HB SER 38 2HB SER 38 1.170 -12.532 -19.478
228 2HB SER 38 1HB SER 38 2.269 -12.366 -18.106
229 HG SER 38 HG SER 38 1.523 -14.940 -18.249
230 H GLY 39 H GLY 39 1.262 -10.831 -17.744
231 1HA GLY 39 2HA GLY 39 0.507 -8.659 -17.421
232 2HA GLY 39 1HA GLY 39 -1.139 -9.272 -17.344
233 H ASP 40 H ASP 40 0.056 -11.184 -15.145
234 HA ASP 40 HA ASP 40 0.841 -10.927 -12.843
235 1HB ASP 40 2HB ASP 40 1.040 -8.363 -13.200
236 2HB ASP 40 1HB ASP 40 -0.665 -8.287 -12.803
237 H ARG 41 H ARG 41 -2.106 -10.916 -14.382
238 HA ARG 41 HA ARG 41 -3.470 -11.879 -11.965
239 1HB ARG 41 2HB ARG 41 -3.904 -9.360 -13.015
240 2HB ARG 41 1HB ARG 41 -5.078 -10.275 -13.923
241 1HG ARG 41 2HG ARG 41 -4.846 -10.685 -11.012
242 2HG ARG 41 1HG ARG 41 -5.615 -9.225 -11.603
243 1HD ARG 41 2HD ARG 41 -6.625 -11.425 -13.082
244 2HD ARG 41 1HD ARG 41 -6.802 -11.749 -11.366
245 HE ARG 41 HE ARG 41 -7.839 -9.301 -12.694
246 1HH1 ARG 41 1HH2 ARG 41 -8.283 -8.227 -10.644
247 2HH1 ARG 41 2HH2 ARG 41 -9.523 -9.001 -9.685
248 1HH2 ARG 41 2HH1 ARG 41 -9.143 -12.011 -11.432
249 2HH2 ARG 41 1HH1 ARG 41 -10.013 -11.206 -10.170
250 H CYS 42 H CYS 42 -2.614 -12.453 -15.077
251 HA CYS 42 HA CYS 42 -3.101 -14.070 -16.498
252 1HB CYS 42 2HB CYS 42 -5.320 -15.351 -14.915
253 2HB CYS 42 1HB CYS 42 -3.892 -16.115 -15.568
254 H GLN 43 H GLN 43 -4.240 -11.688 -16.281
255 HA GLN 43 HA GLN 43 -7.098 -11.765 -16.987
256 1HB GLN 43 2HB GLN 43 -6.774 -9.286 -17.170
257 2HB GLN 43 1HB GLN 43 -6.279 -9.892 -15.586
258 1HG GLN 43 2HG GLN 43 -4.011 -10.063 -17.306
259 2HG GLN 43 1HG GLN 43 -4.769 -8.499 -17.589
260 1HE2 GLN 43 2HE2 GLN 43 -2.331 -8.899 -14.605
261 2HE2 GLN 43 1HE2 GLN 43 -2.421 -9.968 -15.945
262 H THR 44 H THR 44 -4.049 -11.782 -18.305
263 HA THR 44 HA THR 44 -5.078 -11.442 -21.083
264 HB THR 44 HB THR 44 -3.253 -9.816 -20.156
265 HG1 THR 44 HG1 THR 44 -1.931 -10.842 -22.224
266 1HG2 THR 44 1HG2 THR 44 -2.006 -11.629 -18.993
267 2HG2 THR 44 3HG2 THR 44 -1.389 -12.132 -20.563
268 3HG2 THR 44 2HG2 THR 44 -1.036 -10.503 -19.934
269 H ARG 45 H ARG 45 -5.447 -13.467 -21.657
270 HA ARG 45 HA ARG 45 -3.940 -15.636 -20.399
271 1HB ARG 45 2HB ARG 45 -6.488 -15.630 -22.064
272 2HB ARG 45 1HB ARG 45 -5.827 -16.947 -21.166
273 1HG ARG 45 2HG ARG 45 -6.062 -15.596 -19.065
274 2HG ARG 45 1HG ARG 45 -6.870 -14.360 -20.026
275 1HD ARG 45 2HD ARG 45 -7.897 -17.166 -19.404
276 2HD ARG 45 1HD ARG 45 -8.693 -15.609 -19.164
277 HE ARG 45 HE ARG 45 -8.103 -16.608 -21.917
278 1HH1 ARG 45 2HH1 ARG 45 -9.409 -14.127 -21.919
279 2HH1 ARG 45 1HH1 ARG 45 -11.107 -14.471 -21.915
280 1HH2 ARG 45 1HH2 ARG 45 -10.422 -17.759 -20.804
281 2HH2 ARG 45 2HH2 ARG 45 -11.736 -16.705 -21.234
282 H ASP 46 H ASP 46 -2.160 -15.633 -21.654
283 HA ASP 46 HA ASP 46 -2.507 -15.181 -24.495
284 1HB ASP 46 2HB ASP 46 -0.366 -14.429 -23.148
285 2HB ASP 46 1HB ASP 46 0.053 -16.126 -23.022
286 H LEU 47 H LEU 47 -4.068 -16.929 -24.295
287 HA LEU 47 HA LEU 47 -3.920 -19.508 -23.438
288 1HB LEU 47 2HB LEU 47 -5.393 -18.432 -25.865
289 2HB LEU 47 1HB LEU 47 -5.733 -19.970 -25.108
290 HG LEU 47 HG LEU 47 -5.656 -17.637 -23.207
291 1HD1 LEU 47 2HD1 LEU 47 -7.800 -17.923 -25.334
292 2HD1 LEU 47 1HD1 LEU 47 -8.086 -17.096 -23.811
293 3HD1 LEU 47 3HD1 LEU 47 -6.862 -16.498 -24.913
294 1HD2 LEU 47 3HD2 LEU 47 -6.200 -19.999 -22.532
295 2HD2 LEU 47 2HD2 LEU 47 -7.480 -18.865 -22.158
296 3HD2 LEU 47 1HD2 LEU 47 -7.628 -19.931 -23.550
297 H ARG 48 HN ARG 48 -1.636 -20.046 -24.014
298 HA ARG 48 HA ARG 48 -1.547 -21.508 -26.581
299 1HB ARG 48 2HB ARG 48 0.759 -20.310 -24.981
300 2HB ARG 48 1HB ARG 48 0.957 -21.231 -26.457
301 1HG ARG 48 2HG ARG 48 0.337 -19.469 -27.806
302 2HG ARG 48 1HG ARG 48 -0.977 -18.993 -26.749
303 1HD ARG 48 2HD ARG 48 0.799 -17.255 -26.825
304 2HD ARG 48 1HD ARG 48 0.602 -17.923 -25.207
305 HE ARG 48 HE ARG 48 2.639 -19.285 -25.599
306 1HH1 ARG 48 1HH1 ARG 48 3.298 -19.520 -28.156
307 2HH1 ARG 48 2HH1 ARG 48 4.298 -18.194 -28.624
308 1HH2 ARG 48 1HH2 ARG 48 3.148 -16.321 -25.823
309 2HH2 ARG 48 2HH2 ARG 48 4.207 -16.242 -27.195
No H/Q in entry = 309
Start of MODEL 17
1 1H PRO 4 1H PRO 4 0.503 -0.995 -0.613
2 2H PRO 4 2H PRO 4 0.821 0.654 -0.899
3 HA PRO 4 HA PRO 4 2.272 0.140 -2.475
4 1HB PRO 4 2HB PRO 4 4.109 -1.726 -1.417
5 2HB PRO 4 1HB PRO 4 4.260 0.026 -1.280
6 1HG PRO 4 2HG PRO 4 3.192 -1.971 0.700
7 2HG PRO 4 1HG PRO 4 4.090 -0.487 1.010
8 1HD PRO 4 2HD PRO 4 1.387 -0.637 1.389
9 2HD PRO 4 1HD PRO 4 2.162 0.857 0.849
10 H GLY 5 H GLY 5 0.790 -0.916 -3.797
11 1HA GLY 5 2HA GLY 5 0.698 -2.868 -5.302
12 2HA GLY 5 1HA GLY 5 1.103 -3.875 -3.927
13 1HN ABA 6 HN ABA 6 -0.644 -5.199 -4.105
14 HA ABA 6 HA ABA 6 -3.225 -3.890 -3.418
15 1HB ABA 6 1HB ABA 6 -3.792 -6.407 -4.746
16 2HB ABA 6 2HB ABA 6 -2.542 -5.624 -5.688
17 1HG ABA 6 1HG ABA 6 -4.050 -3.515 -5.657
18 2HG ABA 6 2HG ABA 6 -5.308 -4.556 -5.010
19 3HG ABA 6 3HG ABA 6 -4.639 -4.875 -6.599
20 HA PRO 7 HA PRO 7 -2.414 -7.871 -0.986
21 1HB PRO 7 2HB PRO 7 -0.766 -7.416 1.054
22 2HB PRO 7 1HB PRO 7 -0.094 -7.605 -0.548
23 1HG PRO 7 2HG PRO 7 -0.559 -4.995 0.926
24 2HG PRO 7 1HG PRO 7 0.787 -5.459 -0.104
25 1HD PRO 7 2HD PRO 7 -1.419 -3.925 -1.033
26 2HD PRO 7 1HD PRO 7 -0.352 -4.881 -2.057
27 H SER 8 H SER 8 -3.966 -5.303 -0.611
28 HA SER 8 HA SER 8 -4.914 -5.634 2.174
29 1HB SER 8 2HB SER 8 -4.304 -3.309 0.903
30 2HB SER 8 1HB SER 8 -5.953 -3.472 0.304
31 HG SER 8 HG SER 8 -6.307 -4.024 2.738
32 H SER 9 H SER 9 -5.715 -6.267 -1.149
33 HA SER 9 HA SER 9 -8.137 -7.653 -0.281
34 1HB SER 9 2HB SER 9 -9.428 -6.430 -2.147
35 2HB SER 9 1HB SER 9 -9.016 -5.392 -0.771
36 HG SER 9 HG SER 9 -7.228 -5.774 -2.930
37 H TYR 10 H TYR 10 -8.012 -9.629 -1.290
38 HA TYR 10 HA TYR 10 -6.625 -9.741 -3.853
39 1HB TYR 10 2HB TYR 10 -6.248 -12.227 -3.033
40 2HB TYR 10 1HB TYR 10 -5.263 -10.923 -2.408
41 HD1 TYR 10 HD1 TYR 10 -8.150 -13.110 -1.610
42 HD2 TYR 10 HD2 TYR 10 -5.330 -10.321 -0.066
43 HE1 TYR 10 HE1 TYR 10 -8.825 -13.685 0.675
44 HE2 TYR 10 HE2 TYR 10 -6.003 -10.899 2.212
45 HH TYR 10 HH TYR 10 -7.410 -12.168 3.524
46 H ASP 11 H ASP 11 -9.574 -10.018 -2.547
47 HA ASP 11 HA ASP 11 -10.761 -12.282 -3.728
48 1HB ASP 11 2HB ASP 11 -12.018 -9.542 -3.243
49 2HB ASP 11 1HB ASP 11 -12.906 -11.034 -3.457
50 H GLY 12 H GLY 12 -10.781 -12.777 -5.853
51 1HA GLY 12 2HA GLY 12 -11.192 -12.483 -8.175
52 2HA GLY 12 1HA GLY 12 -11.678 -10.816 -7.838
53 H TYR 13 H TYR 13 -8.620 -12.057 -6.696
54 HA TYR 13 HA TYR 13 -7.288 -10.107 -8.510
55 1HB TYR 13 2HB TYR 13 -6.774 -10.240 -6.028
56 2HB TYR 13 1HB TYR 13 -6.122 -11.856 -6.260
57 HD1 TYR 13 HD1 TYR 13 -4.140 -12.099 -7.880
58 HD2 TYR 13 HD2 TYR 13 -5.339 -8.338 -6.283
59 HE1 TYR 13 HE1 TYR 13 -1.933 -11.211 -8.327
60 HE2 TYR 13 HE2 TYR 13 -3.105 -7.449 -6.724
61 HH TYR 13 HH TYR 13 -0.721 -8.542 -6.946
62 H CYS 14 H CYS 14 -7.981 -13.402 -8.476
63 HA CYS 14 HA CYS 14 -5.912 -13.832 -10.582
64 1HB CYS 14 2HB CYS 14 -6.831 -15.987 -8.621
65 2HB CYS 14 1HB CYS 14 -5.553 -16.003 -9.691
66 H LEU 15 H LEU 15 -6.591 -14.819 -12.344
67 HA LEU 15 HA LEU 15 -9.513 -15.139 -12.773
68 1HB LEU 15 2HB LEU 15 -7.455 -13.833 -14.230
69 2HB LEU 15 1HB LEU 15 -7.795 -15.225 -15.171
70 HG LEU 15 HG LEU 15 -10.355 -14.089 -14.617
71 1HD1 LEU 15 3HD1 LEU 15 -8.192 -11.977 -14.857
72 2HD1 LEU 15 2HD1 LEU 15 -9.637 -11.709 -15.784
73 3HD1 LEU 15 1HD1 LEU 15 -9.751 -11.927 -14.069
74 1HD2 LEU 15 2HD2 LEU 15 -8.488 -14.219 -17.008
75 2HD2 LEU 15 1HD2 LEU 15 -10.043 -15.018 -16.770
76 3HD2 LEU 15 3HD2 LEU 15 -9.976 -13.316 -17.137
77 H ASN 16 H ASN 16 -6.662 -16.696 -13.920
78 HA ASN 16 HA ASN 16 -8.001 -19.324 -13.846
79 1HB ASN 16 2HB ASN 16 -6.287 -18.525 -16.201
80 2HB ASN 16 1HB ASN 16 -7.253 -19.975 -16.043
81 1HD2 ASN 16 2HD2 ASN 16 -9.008 -16.495 -17.082
82 2HD2 ASN 16 1HD2 ASN 16 -7.413 -16.455 -16.498
83 H GLY 17 H GLY 17 -4.593 -18.109 -14.449
84 1HA GLY 17 2HA GLY 17 -3.606 -20.708 -13.457
85 2HA GLY 17 1HA GLY 17 -2.696 -19.516 -14.328
86 H GLY 18 H GLY 18 -4.470 -17.733 -12.319
87 1HA GLY 18 2HA GLY 18 -2.392 -16.720 -10.850
88 2HA GLY 18 1HA GLY 18 -4.028 -16.540 -10.423
89 H VAL 19 H VAL 19 -1.185 -18.140 -10.019
90 HA VAL 19 HA VAL 19 -2.007 -19.811 -7.746
91 HB VAL 19 HB VAL 19 0.411 -19.516 -9.580
92 1HG1 VAL 19 1HG1 VAL 19 0.850 -20.015 -6.632
93 2HG1 VAL 19 3HG1 VAL 19 1.959 -20.672 -7.836
94 3HG1 VAL 19 2HG1 VAL 19 1.713 -18.947 -7.713
95 1HG2 VAL 19 1HG2 VAL 19 -1.339 -21.561 -9.109
96 2HG2 VAL 19 3HG2 VAL 19 0.227 -21.736 -9.873
97 3HG2 VAL 19 2HG2 VAL 19 0.044 -22.082 -8.159
98 1HN ABA 20 HN ABA 20 -2.617 -18.480 -6.330
99 HA ABA 20 HA ABA 20 -1.501 -15.862 -6.014
100 1HB ABA 20 1HB ABA 20 -3.240 -17.413 -4.064
101 2HB ABA 20 2HB ABA 20 -3.797 -16.541 -5.479
102 1HG ABA 20 1HG ABA 20 -3.889 -15.011 -3.521
103 2HG ABA 20 2HG ABA 20 -2.498 -14.502 -4.483
104 3HG ABA 20 3HG ABA 20 -2.261 -15.466 -3.038
105 H MET 21 H MET 21 0.248 -15.329 -5.184
106 HA MET 21 HA MET 21 1.375 -16.656 -2.795
107 1HB MET 21 2HB MET 21 3.668 -16.523 -3.881
108 2HB MET 21 1HB MET 21 2.615 -17.649 -4.711
109 1HG MET 21 2HG MET 21 2.104 -15.949 -6.417
110 2HG MET 21 1HG MET 21 3.185 -14.826 -5.628
111 1HE MET 21 2HE MET 21 5.686 -15.759 -4.993
112 2HE MET 21 1HE MET 21 5.519 -17.517 -5.062
113 3HE MET 21 3HE MET 21 6.628 -16.695 -6.152
114 H HIS 22 H HIS 22 3.149 -15.018 -1.961
115 HA HIS 22 HA HIS 22 2.067 -12.271 -2.437
116 1HB HIS 22 2HB HIS 22 1.755 -13.190 -0.201
117 2HB HIS 22 1HB HIS 22 3.506 -13.439 -0.058
118 HD1 HIS 22 HD1 HIS 22 3.168 -10.209 -1.594
119 HD2 HIS 22 HD2 HIS 22 2.647 -11.725 2.248
120 HE1 HIS 22 HE1 HIS 22 3.298 -8.380 -0.007
121 H ILE 23 H ILE 23 3.571 -10.852 -3.381
122 HA ILE 23 HA ILE 23 6.235 -11.962 -3.704
123 HB ILE 23 HB ILE 23 4.281 -10.929 -5.451
124 1HG1 ILE 23 2HG1 ILE 23 6.349 -11.091 -7.063
125 2HG1 ILE 23 1HG1 ILE 23 7.112 -11.862 -5.700
126 1HG2 ILE 23 3HG2 ILE 23 5.125 -8.677 -4.677
127 2HG2 ILE 23 2HG2 ILE 23 6.596 -8.995 -5.545
128 3HG2 ILE 23 1HG2 ILE 23 5.069 -8.909 -6.415
129 1HD1 ILE 23 1HD1 ILE 23 4.581 -13.116 -5.839
130 2HD1 ILE 23 3HD1 ILE 23 5.052 -12.917 -7.522
131 3HD1 ILE 23 2HD1 ILE 23 6.083 -13.792 -6.423
132 H GLU 24 H GLU 24 5.073 -10.302 -1.482
133 HA GLU 24 HA GLU 24 5.816 -7.724 -1.202
134 1HB GLU 24 2HB GLU 24 5.490 -9.804 0.730
135 2HB GLU 24 1HB GLU 24 7.098 -9.227 1.057
136 1HG GLU 24 2HG GLU 24 4.787 -7.229 0.760
137 2HG GLU 24 1HG GLU 24 5.170 -7.961 2.298
138 H SER 25 H SER 25 8.005 -10.231 -0.924
139 HA SER 25 HA SER 25 10.444 -9.281 -0.408
140 1HB SER 25 2HB SER 25 9.592 -11.137 -2.646
141 2HB SER 25 1HB SER 25 11.310 -10.911 -2.269
142 HG SER 25 HG SER 25 10.993 -12.066 -0.485
143 H LEU 26 H LEU 26 8.938 -8.887 -3.367
144 HA LEU 26 HA LEU 26 10.952 -6.911 -4.323
145 1HB LEU 26 2HB LEU 26 9.254 -7.428 -6.500
146 2HB LEU 26 1HB LEU 26 10.908 -7.961 -6.330
147 HG LEU 26 HG LEU 26 8.660 -9.441 -5.074
148 1HD1 LEU 26 1HD1 LEU 26 9.467 -9.522 -7.997
149 2HD1 LEU 26 3HD1 LEU 26 8.682 -10.904 -7.262
150 3HD1 LEU 26 2HD1 LEU 26 7.853 -9.360 -7.336
151 1HD2 LEU 26 2HD2 LEU 26 11.175 -10.026 -4.679
152 2HD2 LEU 26 1HD2 LEU 26 10.158 -11.371 -5.165
153 3HD2 LEU 26 3HD2 LEU 26 11.200 -10.586 -6.337
154 H ASP 27 H ASP 27 7.563 -7.553 -3.888
155 HA ASP 27 HA ASP 27 7.113 -4.656 -3.904
156 1HB ASP 27 2HB ASP 27 6.017 -6.510 -6.021
157 2HB ASP 27 1HB ASP 27 5.050 -5.124 -5.558
158 H SER 28 H SER 28 4.635 -7.030 -4.386
159 HA SER 28 HA SER 28 3.529 -6.637 -1.634
160 1HB SER 28 2HB SER 28 1.712 -5.436 -2.209
161 2HB SER 28 1HB SER 28 2.921 -4.753 -3.292
162 HG SER 28 HG SER 28 1.957 -5.694 -4.949
163 H TYR 29 H TYR 29 0.968 -7.468 -2.935
164 HA TYR 29 HA TYR 29 1.514 -10.451 -2.869
165 1HB TYR 29 2HB TYR 29 -0.095 -10.055 -1.215
166 2HB TYR 29 1HB TYR 29 -0.793 -8.682 -2.080
167 HD1 TYR 29 HD1 TYR 29 -2.100 -9.144 -4.198
168 HD2 TYR 29 HD2 TYR 29 -1.167 -12.165 -1.342
169 HE1 TYR 29 HE1 TYR 29 -3.838 -10.564 -5.085
170 HE2 TYR 29 HE2 TYR 29 -2.931 -13.556 -2.246
171 HH TYR 29 HH TYR 29 -4.141 -13.225 -5.176
172 H THR 30 H THR 30 0.758 -11.866 -4.377
173 HA THR 30 HA THR 30 -0.668 -10.804 -6.625
174 HB THR 30 HB THR 30 1.891 -10.149 -6.645
175 HG1 THR 30 HG1 THR 30 0.404 -9.682 -8.343
176 1HG2 THR 30 3HG2 THR 30 2.527 -12.715 -6.724
177 2HG2 THR 30 2HG2 THR 30 2.154 -12.561 -8.439
178 3HG2 THR 30 1HG2 THR 30 3.381 -11.540 -7.711
179 H CYS 31 H CYS 31 -0.213 -12.272 -8.676
180 HA CYS 31 HA CYS 31 -0.592 -15.104 -7.816
181 1HB CYS 31 2HB CYS 31 -2.625 -13.351 -8.868
182 2HB CYS 31 1HB CYS 31 -2.294 -14.560 -10.079
183 H ASN 32 H ASN 32 0.536 -16.381 -8.875
184 HA ASN 32 HA ASN 32 2.305 -15.537 -11.107
185 1HB ASN 32 2HB ASN 32 2.760 -17.027 -8.803
186 2HB ASN 32 1HB ASN 32 2.483 -18.306 -9.963
187 1HD2 ASN 32 2HD2 ASN 32 6.133 -17.331 -9.919
188 2HD2 ASN 32 1HD2 ASN 32 5.063 -17.711 -8.655
189 H CYS 33 H CYS 33 0.665 -15.472 -12.757
190 HA CYS 33 HA CYS 33 -1.045 -17.708 -13.198
191 1HB CYS 33 2HB CYS 33 -0.296 -15.512 -15.195
192 2HB CYS 33 1HB CYS 33 -1.727 -16.467 -15.101
193 H VAL 34 H VAL 34 -0.949 -18.467 -15.637
194 HA VAL 34 HA VAL 34 1.573 -19.937 -15.771
195 HB VAL 34 HB VAL 34 -0.684 -21.006 -15.858
196 1HG1 VAL 34 1HG1 VAL 34 -1.547 -19.075 -17.454
197 2HG1 VAL 34 3HG1 VAL 34 -1.159 -20.224 -18.713
198 3HG1 VAL 34 2HG1 VAL 34 -2.249 -20.682 -17.446
199 1HG2 VAL 34 3HG2 VAL 34 1.277 -22.149 -16.954
200 2HG2 VAL 34 2HG2 VAL 34 -0.329 -22.622 -17.498
201 3HG2 VAL 34 1HG2 VAL 34 0.632 -21.562 -18.500
202 H ILE 35 H ILE 35 2.397 -20.489 -17.760
203 HA ILE 35 HA ILE 35 3.492 -18.232 -19.115
204 HB ILE 35 HB ILE 35 4.675 -20.283 -19.192
205 1HG1 ILE 35 2HG1 ILE 35 3.440 -20.201 -21.949
206 2HG1 ILE 35 1HG1 ILE 35 4.471 -18.911 -21.380
207 1HG2 ILE 35 2HG2 ILE 35 2.053 -21.496 -20.075
208 2HG2 ILE 35 1HG2 ILE 35 3.549 -22.347 -20.413
209 3HG2 ILE 35 3HG2 ILE 35 3.114 -21.992 -18.760
210 1HD1 ILE 35 3HD1 ILE 35 6.063 -21.065 -20.735
211 2HD1 ILE 35 2HD1 ILE 35 5.265 -21.693 -22.163
212 3HD1 ILE 35 1HD1 ILE 35 6.193 -20.196 -22.245
213 H GLY 36 H GLY 36 0.568 -19.744 -19.355
214 1HA GLY 36 2HA GLY 36 -0.139 -18.705 -22.014
215 2HA GLY 36 1HA GLY 36 -1.118 -19.834 -21.095
216 H TYR 37 H TYR 37 -0.533 -17.743 -18.792
217 HA TYR 37 HA TYR 37 -2.514 -15.678 -19.543
218 1HB TYR 37 2HB TYR 37 -2.631 -16.892 -16.824
219 2HB TYR 37 1HB TYR 37 -3.903 -16.071 -17.689
220 HD1 TYR 37 HD2 TYR 37 -3.980 -17.971 -20.228
221 HD2 TYR 37 HD1 TYR 37 -3.721 -18.734 -16.072
222 HE1 TYR 37 HE2 TYR 37 -5.048 -20.098 -20.572
223 HE2 TYR 37 HE1 TYR 37 -4.826 -20.907 -16.414
224 HH TYR 37 HH TYR 37 -6.057 -21.901 -19.539
225 H SER 38 H SER 38 -1.805 -13.628 -18.945
226 HA SER 38 HA SER 38 0.341 -13.711 -16.817
227 1HB SER 38 2HB SER 38 1.092 -13.430 -19.355
228 2HB SER 38 1HB SER 38 0.642 -11.734 -19.103
229 HG SER 38 HG SER 38 2.737 -13.114 -18.093
230 H GLY 39 H GLY 39 1.062 -11.172 -16.835
231 1HA GLY 39 2HA GLY 39 0.737 -9.195 -15.649
232 2HA GLY 39 1HA GLY 39 -0.755 -9.079 -16.527
233 H ASP 40 H ASP 40 0.536 -10.768 -13.812
234 HA ASP 40 HA ASP 40 -0.220 -11.456 -11.757
235 1HB ASP 40 2HB ASP 40 -0.918 -8.537 -11.954
236 2HB ASP 40 1HB ASP 40 -1.191 -9.389 -10.451
237 H ARG 41 H ARG 41 -2.907 -10.714 -13.699
238 HA ARG 41 HA ARG 41 -4.656 -11.764 -11.535
239 1HB ARG 41 2HB ARG 41 -4.992 -9.432 -12.954
240 2HB ARG 41 1HB ARG 41 -5.934 -10.517 -13.953
241 1HG ARG 41 2HG ARG 41 -6.286 -10.287 -11.006
242 2HG ARG 41 1HG ARG 41 -7.228 -9.359 -12.140
243 1HD ARG 41 2HD ARG 41 -7.376 -12.019 -13.010
244 2HD ARG 41 1HD ARG 41 -7.570 -12.038 -11.276
245 HE ARG 41 HE ARG 41 -9.142 -10.110 -12.883
246 1HH1 ARG 41 2HH1 ARG 41 -9.289 -13.213 -11.610
247 2HH1 ARG 41 1HH1 ARG 41 -10.815 -13.033 -10.842
248 1HH2 ARG 41 1HH2 ARG 41 -10.852 -9.599 -11.640
249 2HH2 ARG 41 2HH2 ARG 41 -11.783 -10.833 -10.855
250 H CYS 42 H CYS 42 -3.468 -12.012 -14.678
251 HA CYS 42 HA CYS 42 -3.288 -13.733 -16.109
252 1HB CYS 42 2HB CYS 42 -5.490 -15.352 -14.826
253 2HB CYS 42 1HB CYS 42 -4.022 -15.888 -15.596
254 H GLN 43 H GLN 43 -4.701 -11.592 -16.332
255 HA GLN 43 HA GLN 43 -7.465 -12.079 -17.293
256 1HB GLN 43 2HB GLN 43 -7.087 -9.478 -17.873
257 2HB GLN 43 1HB GLN 43 -7.471 -10.004 -16.251
258 1HG GLN 43 2HG GLN 43 -5.515 -8.396 -16.320
259 2HG GLN 43 1HG GLN 43 -5.032 -9.923 -15.639
260 1HE2 GLN 43 2HE2 GLN 43 -2.329 -9.698 -17.716
261 2HE2 GLN 43 1HE2 GLN 43 -2.911 -9.872 -16.138
262 H THR 44 H THR 44 -4.466 -12.187 -18.516
263 HA THR 44 HA THR 44 -5.413 -11.849 -21.334
264 HB THR 44 HB THR 44 -3.808 -10.129 -21.014
265 HG1 THR 44 HG1 THR 44 -2.525 -10.750 -22.562
266 1HG2 THR 44 2HG2 THR 44 -2.928 -11.363 -18.748
267 2HG2 THR 44 1HG2 THR 44 -1.605 -11.699 -19.845
268 3HG2 THR 44 3HG2 THR 44 -2.129 -10.036 -19.555
269 H ARG 45 H ARG 45 -6.044 -14.011 -21.467
270 HA ARG 45 HA ARG 45 -4.213 -16.076 -20.579
271 1HB ARG 45 2HB ARG 45 -6.768 -16.303 -22.286
272 2HB ARG 45 1HB ARG 45 -6.001 -17.524 -21.338
273 1HG ARG 45 2HG ARG 45 -6.340 -15.918 -19.305
274 2HG ARG 45 1HG ARG 45 -7.468 -15.088 -20.347
275 1HD ARG 45 2HD ARG 45 -7.735 -17.793 -19.020
276 2HD ARG 45 1HD ARG 45 -8.961 -16.581 -19.276
277 HE ARG 45 HE ARG 45 -7.928 -18.276 -21.543
278 1HH1 ARG 45 1HH2 ARG 45 -10.081 -15.954 -20.986
279 2HH1 ARG 45 2HH2 ARG 45 -11.515 -16.791 -21.475
280 1HH2 ARG 45 2HH1 ARG 45 -9.726 -19.830 -21.611
281 2HH2 ARG 45 1HH1 ARG 45 -11.296 -19.146 -21.881
282 H ASP 46 H ASP 46 -2.527 -15.391 -21.700
283 HA ASP 46 HA ASP 46 -2.543 -14.588 -24.337
284 1HB ASP 46 2HB ASP 46 -0.645 -14.526 -22.480
285 2HB ASP 46 1HB ASP 46 -0.097 -16.023 -23.219
286 H LEU 47 H LEU 47 -3.007 -17.484 -22.960
287 HA LEU 47 HA LEU 47 -3.404 -19.628 -23.419
288 1HB LEU 47 2HB LEU 47 -4.364 -18.094 -25.641
289 2HB LEU 47 1HB LEU 47 -3.661 -19.525 -26.356
290 HG LEU 47 HG LEU 47 -5.592 -19.738 -23.995
291 1HD1 LEU 47 1HD1 LEU 47 -6.263 -19.603 -26.965
292 2HD1 LEU 47 3HD1 LEU 47 -7.377 -20.190 -25.737
293 3HD1 LEU 47 2HD1 LEU 47 -6.831 -18.525 -25.701
294 1HD2 LEU 47 2HD2 LEU 47 -4.132 -21.741 -24.761
295 2HD2 LEU 47 1HD2 LEU 47 -5.861 -22.031 -24.744
296 3HD2 LEU 47 3HD2 LEU 47 -5.034 -21.717 -26.259
297 H ARG 48 HN ARG 48 -0.522 -18.611 -24.043
298 HA ARG 48 HA ARG 48 0.355 -20.965 -25.606
299 1HB ARG 48 2HB ARG 48 2.523 -19.645 -25.861
300 2HB ARG 48 1HB ARG 48 1.110 -18.899 -26.573
301 1HG ARG 48 2HG ARG 48 0.971 -17.237 -24.989
302 2HG ARG 48 1HG ARG 48 1.695 -18.189 -23.705
303 1HD ARG 48 2HD ARG 48 3.404 -17.395 -26.074
304 2HD ARG 48 1HD ARG 48 3.096 -16.248 -24.779
305 HE ARG 48 HE ARG 48 4.044 -17.916 -23.183
306 1HH1 ARG 48 1HH2 ARG 48 4.403 -20.369 -24.064
307 2HH1 ARG 48 2HH2 ARG 48 5.871 -20.463 -24.960
308 1HH2 ARG 48 1HH1 ARG 48 5.915 -16.945 -25.365
309 2HH2 ARG 48 2HH1 ARG 48 6.805 -18.369 -25.770
No H/Q in entry = 309
Start of MODEL 18
1 1H PRO 4 1H PRO 4 1.755 -0.433 0.904
2 2H PRO 4 2H PRO 4 1.042 1.118 0.912
3 HA PRO 4 HA PRO 4 0.932 1.050 -1.289
4 1HB PRO 4 2HB PRO 4 3.730 0.339 -1.932
5 2HB PRO 4 1HB PRO 4 2.914 1.876 -2.221
6 1HG PRO 4 2HG PRO 4 4.846 1.447 -0.270
7 2HG PRO 4 1HG PRO 4 3.703 2.786 -0.267
8 1HD PRO 4 2HD PRO 4 3.736 0.337 1.409
9 2HD PRO 4 1HD PRO 4 2.948 1.886 1.719
10 H GLY 5 H GLY 5 0.486 -0.518 -2.916
11 1HA GLY 5 2HA GLY 5 1.143 -2.731 -3.896
12 2HA GLY 5 1HA GLY 5 1.311 -3.304 -2.235
13 1HN ABA 6 HN ABA 6 -0.261 -4.962 -3.222
14 HA ABA 6 HA ABA 6 -3.016 -4.041 -2.608
15 1HB ABA 6 1HB ABA 6 -2.700 -5.975 -4.878
16 2HB ABA 6 2HB ABA 6 -2.155 -4.348 -5.192
17 1HG ABA 6 1HG ABA 6 -4.408 -3.491 -4.394
18 2HG ABA 6 2HG ABA 6 -4.940 -5.161 -4.256
19 3HG ABA 6 3HG ABA 6 -4.502 -4.501 -5.825
20 HA PRO 7 HA PRO 7 -2.403 -8.394 -0.799
21 1HB PRO 7 2HB PRO 7 -2.074 -7.304 1.914
22 2HB PRO 7 1HB PRO 7 -1.020 -8.427 1.063
23 1HG PRO 7 2HG PRO 7 -0.300 -5.787 1.597
24 2HG PRO 7 1HG PRO 7 0.368 -6.726 0.274
25 1HD PRO 7 2HD PRO 7 -1.822 -4.620 0.146
26 2HD PRO 7 1HD PRO 7 -0.519 -4.987 -0.993
27 H SER 8 H SER 8 -3.576 -5.492 0.488
28 HA SER 8 HA SER 8 -5.540 -5.608 2.117
29 1HB SER 8 2HB SER 8 -6.169 -4.288 -0.537
30 2HB SER 8 1HB SER 8 -6.314 -3.628 1.106
31 HG SER 8 HG SER 8 -4.370 -2.896 0.752
32 H SER 9 H SER 9 -6.276 -6.684 -1.201
33 HA SER 9 HA SER 9 -8.470 -8.298 -0.113
34 1HB SER 9 2HB SER 9 -9.692 -6.327 -0.972
35 2HB SER 9 1HB SER 9 -8.715 -6.310 -2.452
36 HG SER 9 HG SER 9 -10.098 -7.696 -3.219
37 H TYR 10 H TYR 10 -8.260 -10.290 -0.936
38 HA TYR 10 HA TYR 10 -6.797 -10.672 -3.423
39 1HB TYR 10 2HB TYR 10 -6.150 -12.920 -2.279
40 2HB TYR 10 1HB TYR 10 -5.304 -11.505 -1.713
41 HD1 TYR 10 HD1 TYR 10 -5.852 -10.455 0.456
42 HD2 TYR 10 HD2 TYR 10 -7.832 -14.015 -0.805
43 HE1 TYR 10 HE1 TYR 10 -6.667 -10.812 2.736
44 HE2 TYR 10 HE2 TYR 10 -8.639 -14.363 1.481
45 HH TYR 10 HH TYR 10 -7.665 -13.544 3.923
46 H ASP 11 H ASP 11 -9.481 -10.182 -3.003
47 HA ASP 11 HA ASP 11 -10.872 -12.698 -3.413
48 1HB ASP 11 2HB ASP 11 -11.583 -10.069 -2.246
49 2HB ASP 11 1HB ASP 11 -12.737 -10.513 -3.481
50 H GLY 12 H GLY 12 -11.541 -13.183 -5.470
51 1HA GLY 12 2HA GLY 12 -11.405 -13.058 -7.857
52 2HA GLY 12 1HA GLY 12 -12.345 -11.584 -7.589
53 H TYR 13 H TYR 13 -9.155 -12.307 -6.556
54 HA TYR 13 HA TYR 13 -8.028 -9.893 -7.815
55 1HB TYR 13 2HB TYR 13 -7.685 -10.466 -5.389
56 2HB TYR 13 1HB TYR 13 -6.757 -11.893 -5.866
57 HD1 TYR 13 HD2 TYR 13 -4.686 -11.498 -7.379
58 HD2 TYR 13 HD1 TYR 13 -6.613 -8.370 -5.224
59 HE1 TYR 13 HE2 TYR 13 -2.685 -10.148 -7.573
60 HE2 TYR 13 HE1 TYR 13 -4.594 -7.024 -5.409
61 HH TYR 13 HH TYR 13 -1.690 -8.131 -6.046
62 H CYS 14 H CYS 14 -8.003 -13.267 -8.281
63 HA CYS 14 HA CYS 14 -5.803 -13.038 -10.301
64 1HB CYS 14 2HB CYS 14 -6.793 -15.547 -8.912
65 2HB CYS 14 1HB CYS 14 -5.369 -15.317 -9.887
66 H LEU 15 H LEU 15 -6.321 -14.127 -12.340
67 HA LEU 15 HA LEU 15 -9.267 -14.270 -12.834
68 1HB LEU 15 2HB LEU 15 -7.130 -12.947 -14.196
69 2HB LEU 15 1HB LEU 15 -7.641 -14.218 -15.248
70 HG LEU 15 HG LEU 15 -10.097 -13.091 -14.578
71 1HD1 LEU 15 3HD1 LEU 15 -7.976 -10.879 -14.586
72 2HD1 LEU 15 2HD1 LEU 15 -9.689 -10.578 -14.729
73 3HD1 LEU 15 1HD1 LEU 15 -9.038 -11.267 -13.263
74 1HD2 LEU 15 2HD2 LEU 15 -8.395 -13.232 -16.909
75 2HD2 LEU 15 1HD2 LEU 15 -10.097 -12.849 -16.871
76 3HD2 LEU 15 3HD2 LEU 15 -8.909 -11.569 -16.781
77 H ASN 16 H ASN 16 -6.368 -15.990 -13.425
78 HA ASN 16 HA ASN 16 -7.901 -18.441 -14.015
79 1HB ASN 16 2HB ASN 16 -5.929 -17.202 -15.933
80 2HB ASN 16 1HB ASN 16 -6.138 -18.951 -15.819
81 1HD2 ASN 16 2HD2 ASN 16 -9.311 -16.880 -17.180
82 2HD2 ASN 16 1HD2 ASN 16 -8.281 -16.086 -16.086
83 H GLY 17 H GLY 17 -4.408 -18.233 -14.591
84 1HA GLY 17 2HA GLY 17 -3.793 -20.730 -13.403
85 2HA GLY 17 1HA GLY 17 -2.618 -19.475 -13.717
86 H GLY 18 H GLY 18 -4.228 -17.649 -12.266
87 1HA GLY 18 2HA GLY 18 -3.581 -16.549 -10.241
88 2HA GLY 18 1HA GLY 18 -5.091 -17.371 -9.978
89 H VAL 19 H VAL 19 -1.589 -18.112 -9.554
90 HA VAL 19 HA VAL 19 -2.404 -19.487 -7.079
91 HB VAL 19 HB VAL 19 -0.044 -19.519 -9.025
92 1HG1 VAL 19 3HG1 VAL 19 0.256 -20.100 -6.087
93 2HG1 VAL 19 2HG1 VAL 19 1.316 -20.829 -7.296
94 3HG1 VAL 19 1HG1 VAL 19 1.252 -19.085 -7.120
95 1HG2 VAL 19 2HG2 VAL 19 -1.467 -21.745 -7.520
96 2HG2 VAL 19 1HG2 VAL 19 -1.739 -21.262 -9.190
97 3HG2 VAL 19 3HG2 VAL 19 -0.209 -21.978 -8.727
98 1HN ABA 20 HN ABA 20 -2.874 -17.956 -5.860
99 HA ABA 20 HA ABA 20 -1.837 -15.355 -5.648
100 1HB ABA 20 1HB ABA 20 -3.339 -17.161 -3.740
101 2HB ABA 20 2HB ABA 20 -3.975 -16.036 -4.899
102 1HG ABA 20 1HG ABA 20 -2.148 -14.716 -2.916
103 2HG ABA 20 2HG ABA 20 -3.436 -15.576 -2.124
104 3HG ABA 20 3HG ABA 20 -3.825 -14.329 -3.283
105 H MET 21 H MET 21 0.336 -15.196 -5.488
106 HA MET 21 HA MET 21 1.563 -16.273 -2.989
107 1HB MET 21 2HB MET 21 3.715 -16.404 -4.239
108 2HB MET 21 1HB MET 21 2.501 -17.479 -4.887
109 1HG MET 21 2HG MET 21 2.058 -16.024 -6.746
110 2HG MET 21 1HG MET 21 3.043 -14.747 -6.102
111 1HE MET 21 2HE MET 21 5.722 -15.566 -5.392
112 2HE MET 21 1HE MET 21 5.483 -17.317 -5.304
113 3HE MET 21 3HE MET 21 6.610 -16.646 -6.473
114 H HIS 22 H HIS 22 2.136 -14.762 -1.656
115 HA HIS 22 HA HIS 22 1.974 -12.025 -2.307
116 1HB HIS 22 2HB HIS 22 1.835 -12.967 -0.052
117 2HB HIS 22 1HB HIS 22 3.588 -13.287 -0.121
118 HD1 HIS 22 HD1 HIS 22 3.188 -10.141 -1.695
119 HD2 HIS 22 HD2 HIS 22 3.062 -11.471 2.244
120 HE1 HIS 22 HE1 HIS 22 3.586 -8.235 -0.190
121 H ILE 23 H ILE 23 3.424 -10.896 -3.595
122 HA ILE 23 HA ILE 23 6.085 -12.039 -4.019
123 HB ILE 23 HB ILE 23 4.080 -11.371 -5.767
124 1HG1 ILE 23 2HG1 ILE 23 6.219 -11.077 -7.348
125 2HG1 ILE 23 1HG1 ILE 23 7.032 -11.749 -5.966
126 1HG2 ILE 23 1HG2 ILE 23 4.629 -8.896 -5.040
127 2HG2 ILE 23 3HG2 ILE 23 5.959 -9.045 -6.151
128 3HG2 ILE 23 2HG2 ILE 23 4.303 -9.226 -6.725
129 1HD1 ILE 23 2HD1 ILE 23 4.969 -13.498 -6.080
130 2HD1 ILE 23 1HD1 ILE 23 4.965 -13.003 -7.761
131 3HD1 ILE 23 3HD1 ILE 23 6.399 -13.728 -7.070
132 H GLU 24 H GLU 24 5.209 -10.351 -1.761
133 HA GLU 24 HA GLU 24 5.882 -7.712 -1.767
134 1HB GLU 24 2HB GLU 24 5.809 -9.674 0.319
135 2HB GLU 24 1HB GLU 24 7.453 -9.112 0.393
136 1HG GLU 24 2HG GLU 24 5.193 -7.060 0.329
137 2HG GLU 24 1HG GLU 24 5.684 -7.808 1.832
138 H SER 25 H SER 25 7.959 -10.296 -1.925
139 HA SER 25 HA SER 25 10.504 -9.577 -1.748
140 1HB SER 25 2HB SER 25 9.565 -11.007 -4.266
141 2HB SER 25 1HB SER 25 10.894 -11.496 -3.199
142 HG SER 25 HG SER 25 9.389 -12.636 -2.192
143 H LEU 26 H LEU 26 8.568 -8.911 -4.386
144 HA LEU 26 HA LEU 26 10.454 -6.895 -5.486
145 1HB LEU 26 2HB LEU 26 8.485 -7.331 -7.465
146 2HB LEU 26 1HB LEU 26 10.170 -7.777 -7.550
147 HG LEU 26 HG LEU 26 8.105 -9.405 -6.171
148 1HD1 LEU 26 2HD1 LEU 26 8.879 -9.380 -9.150
149 2HD1 LEU 26 1HD1 LEU 26 8.054 -10.754 -8.447
150 3HD1 LEU 26 3HD1 LEU 26 7.272 -9.185 -8.474
151 1HD2 LEU 26 2HD2 LEU 26 10.686 -9.901 -5.949
152 2HD2 LEU 26 1HD2 LEU 26 9.725 -11.271 -6.489
153 3HD2 LEU 26 3HD2 LEU 26 10.653 -10.336 -7.642
154 H ASP 27 H ASP 27 7.138 -7.573 -4.649
155 HA ASP 27 HA ASP 27 6.701 -4.668 -4.539
156 1HB ASP 27 2HB ASP 27 5.229 -6.478 -6.489
157 2HB ASP 27 1HB ASP 27 4.464 -5.007 -5.920
158 H SER 28 H SER 28 4.206 -7.080 -4.724
159 HA SER 28 HA SER 28 3.588 -6.840 -1.812
160 1HB SER 28 2HB SER 28 1.778 -5.445 -1.924
161 2HB SER 28 1HB SER 28 2.706 -4.769 -3.252
162 HG SER 28 HG SER 28 1.266 -5.504 -4.636
163 H TYR 29 H TYR 29 0.812 -7.529 -2.862
164 HA TYR 29 HA TYR 29 1.438 -10.472 -3.060
165 1HB TYR 29 2HB TYR 29 -0.220 -10.493 -1.360
166 2HB TYR 29 1HB TYR 29 -0.883 -8.953 -1.908
167 HD1 TYR 29 HD2 TYR 29 -0.419 -12.373 -3.395
168 HD2 TYR 29 HD1 TYR 29 -3.153 -9.173 -2.702
169 HE1 TYR 29 HE2 TYR 29 -2.114 -13.513 -4.659
170 HE2 TYR 29 HE1 TYR 29 -4.837 -10.350 -3.955
171 HH TYR 29 HH TYR 29 -4.088 -13.246 -5.791
172 H THR 30 H THR 30 0.973 -11.704 -4.672
173 HA THR 30 HA THR 30 -0.694 -10.623 -6.790
174 HB THR 30 HB THR 30 1.925 -9.984 -6.646
175 HG1 THR 30 HG1 THR 30 0.785 -9.149 -8.324
176 1HG2 THR 30 2HG2 THR 30 2.555 -12.494 -7.017
177 2HG2 THR 30 1HG2 THR 30 1.930 -12.297 -8.649
178 3HG2 THR 30 3HG2 THR 30 3.283 -11.320 -8.107
179 H CYS 31 H CYS 31 -0.355 -12.301 -8.706
180 HA CYS 31 HA CYS 31 -0.619 -15.004 -7.445
181 1HB CYS 31 2HB CYS 31 -2.576 -13.463 -8.900
182 2HB CYS 31 1HB CYS 31 -2.139 -14.820 -9.894
183 H ASN 32 H ASN 32 0.020 -16.725 -8.789
184 HA ASN 32 HA ASN 32 2.035 -15.991 -10.907
185 1HB ASN 32 2HB ASN 32 2.751 -17.347 -8.725
186 2HB ASN 32 1HB ASN 32 1.869 -18.682 -9.443
187 1HD2 ASN 32 2HD2 ASN 32 4.639 -19.441 -11.477
188 2HD2 ASN 32 1HD2 ASN 32 3.350 -20.030 -10.534
189 H CYS 33 H CYS 33 0.842 -15.961 -12.630
190 HA CYS 33 HA CYS 33 -1.323 -17.896 -12.979
191 1HB CYS 33 2HB CYS 33 -0.394 -15.672 -14.894
192 2HB CYS 33 1HB CYS 33 -1.852 -16.561 -14.933
193 H VAL 34 H VAL 34 -1.438 -18.903 -15.199
194 HA VAL 34 HA VAL 34 0.904 -20.499 -15.412
195 HB VAL 34 HB VAL 34 -1.419 -21.282 -15.939
196 1HG1 VAL 34 1HG1 VAL 34 -1.934 -19.087 -17.120
197 2HG1 VAL 34 3HG1 VAL 34 -1.529 -19.971 -18.579
198 3HG1 VAL 34 2HG1 VAL 34 -2.761 -20.590 -17.504
199 1HG2 VAL 34 2HG2 VAL 34 0.442 -22.567 -17.072
200 2HG2 VAL 34 1HG2 VAL 34 -1.083 -22.581 -17.955
201 3HG2 VAL 34 3HG2 VAL 34 0.203 -21.541 -18.490
202 H ILE 35 H ILE 35 1.997 -20.924 -17.207
203 HA ILE 35 HA ILE 35 3.592 -18.844 -18.202
204 HB ILE 35 HB ILE 35 4.400 -21.070 -18.388
205 1HG1 ILE 35 2HG1 ILE 35 3.649 -20.693 -21.288
206 2HG1 ILE 35 1HG1 ILE 35 4.615 -19.458 -20.521
207 1HG2 ILE 35 1HG2 ILE 35 1.792 -21.671 -19.812
208 2HG2 ILE 35 3HG2 ILE 35 3.146 -22.766 -19.935
209 3HG2 ILE 35 2HG2 ILE 35 2.443 -22.446 -18.369
210 1HD1 ILE 35 3HD1 ILE 35 5.424 -22.390 -20.365
211 2HD1 ILE 35 2HD1 ILE 35 5.950 -21.337 -21.665
212 3HD1 ILE 35 1HD1 ILE 35 6.404 -20.975 -20.009
213 H GLY 36 H GLY 36 0.529 -19.840 -19.180
214 1HA GLY 36 2HA GLY 36 0.628 -18.222 -21.641
215 2HA GLY 36 1HA GLY 36 -0.543 -19.446 -21.323
216 H TYR 37 H TYR 37 -0.351 -17.590 -18.655
217 HA TYR 37 HA TYR 37 -2.342 -15.524 -19.389
218 1HB TYR 37 2HB TYR 37 -2.487 -17.174 -16.857
219 2HB TYR 37 1HB TYR 37 -3.659 -16.049 -17.498
220 HD1 TYR 37 HD1 TYR 37 -3.675 -17.513 -20.440
221 HD2 TYR 37 HD2 TYR 37 -4.193 -18.783 -16.448
222 HE1 TYR 37 HE1 TYR 37 -5.128 -19.296 -21.210
223 HE2 TYR 37 HE2 TYR 37 -5.663 -20.587 -17.222
224 HH TYR 37 HH TYR 37 -7.171 -20.974 -19.232
225 H SER 38 H SER 38 -1.272 -13.677 -19.012
226 HA SER 38 HA SER 38 0.502 -13.765 -16.605
227 1HB SER 38 2HB SER 38 1.883 -14.156 -18.623
228 2HB SER 38 1HB SER 38 1.281 -12.673 -19.372
229 HG SER 38 HG SER 38 3.203 -12.970 -17.442
230 H GLY 39 H GLY 39 1.345 -11.016 -17.718
231 1HA GLY 39 2HA GLY 39 0.770 -8.773 -17.410
232 2HA GLY 39 1HA GLY 39 -0.923 -9.244 -17.377
233 H ASP 40 H ASP 40 0.287 -11.178 -15.138
234 HA ASP 40 HA ASP 40 1.004 -10.906 -12.832
235 1HB ASP 40 2HB ASP 40 1.172 -8.334 -13.210
236 2HB ASP 40 1HB ASP 40 -0.525 -8.292 -12.776
237 H ARG 41 H ARG 41 -1.969 -10.982 -14.352
238 HA ARG 41 HA ARG 41 -3.271 -11.908 -11.896
239 1HB ARG 41 2HB ARG 41 -3.683 -9.378 -12.863
240 2HB ARG 41 1HB ARG 41 -4.873 -10.221 -13.807
241 1HG ARG 41 2HG ARG 41 -4.736 -10.772 -10.909
242 2HG ARG 41 1HG ARG 41 -5.343 -9.215 -11.451
243 1HD ARG 41 2HD ARG 41 -6.540 -11.220 -13.052
244 2HD ARG 41 1HD ARG 41 -6.713 -11.664 -11.370
245 HE ARG 41 HE ARG 41 -7.598 -9.032 -12.434
246 1HH1 ARG 41 2HH1 ARG 41 -8.155 -8.157 -10.281
247 2HH1 ARG 41 1HH1 ARG 41 -9.420 -9.026 -9.445
248 1HH2 ARG 41 1HH2 ARG 41 -8.936 -11.840 -11.489
249 2HH2 ARG 41 2HH2 ARG 41 -9.879 -11.196 -10.191
250 H CYS 42 H CYS 42 -2.470 -12.542 -14.980
251 HA CYS 42 HA CYS 42 -2.969 -14.179 -16.387
252 1HB CYS 42 2HB CYS 42 -5.381 -15.341 -15.057
253 2HB CYS 42 1HB CYS 42 -3.920 -16.156 -15.529
254 H GLN 43 H GLN 43 -4.062 -11.681 -16.211
255 HA GLN 43 HA GLN 43 -6.877 -11.789 -17.064
256 1HB GLN 43 2HB GLN 43 -6.668 -9.327 -17.028
257 2HB GLN 43 1HB GLN 43 -6.059 -10.009 -15.523
258 1HG GLN 43 2HG GLN 43 -3.877 -9.925 -17.413
259 2HG GLN 43 1HG GLN 43 -4.705 -8.374 -17.439
260 1HE2 GLN 43 2HE2 GLN 43 -2.129 -9.074 -14.601
261 2HE2 GLN 43 1HE2 GLN 43 -2.263 -10.087 -15.980
262 H THR 44 H THR 44 -3.859 -11.893 -18.329
263 HA THR 44 HA THR 44 -4.823 -11.310 -21.104
264 HB THR 44 HB THR 44 -3.168 -9.731 -19.960
265 HG1 THR 44 HG1 THR 44 -1.724 -10.563 -22.110
266 1HG2 THR 44 2HG2 THR 44 -1.818 -11.598 -18.953
267 2HG2 THR 44 1HG2 THR 44 -1.030 -11.778 -20.511
268 3HG2 THR 44 3HG2 THR 44 -0.929 -10.246 -19.630
269 H ARG 45 H ARG 45 -5.640 -13.358 -20.979
270 HA ARG 45 HA ARG 45 -4.007 -15.648 -20.389
271 1HB ARG 45 2HB ARG 45 -6.676 -15.348 -21.823
272 2HB ARG 45 1HB ARG 45 -6.043 -16.823 -21.181
273 1HG ARG 45 2HG ARG 45 -6.000 -15.829 -18.923
274 2HG ARG 45 1HG ARG 45 -6.690 -14.359 -19.592
275 1HD ARG 45 2HD ARG 45 -8.079 -16.987 -19.092
276 2HD ARG 45 1HD ARG 45 -8.716 -15.343 -18.983
277 HE ARG 45 HE ARG 45 -8.251 -16.799 -21.563
278 1HH1 ARG 45 2HH1 ARG 45 -8.612 -14.470 -22.598
279 2HH1 ARG 45 1HH1 ARG 45 -10.287 -14.033 -22.551
280 1HH2 ARG 45 1HH2 ARG 45 -10.855 -16.447 -20.021
281 2HH2 ARG 45 2HH2 ARG 45 -11.661 -15.242 -20.971
282 H ASP 46 H ASP 46 -2.326 -15.365 -21.678
283 HA ASP 46 HA ASP 46 -2.575 -14.727 -24.392
284 1HB ASP 46 2HB ASP 46 -0.425 -14.935 -22.698
285 2HB ASP 46 1HB ASP 46 -0.259 -16.494 -23.491
286 H LEU 47 H LEU 47 -3.196 -17.453 -22.717
287 HA LEU 47 HA LEU 47 -4.298 -19.438 -23.200
288 1HB LEU 47 2HB LEU 47 -3.928 -18.637 -26.134
289 2HB LEU 47 1HB LEU 47 -4.824 -20.022 -25.597
290 HG LEU 47 HG LEU 47 -5.658 -17.613 -24.088
291 1HD1 LEU 47 3HD1 LEU 47 -4.985 -16.512 -26.220
292 2HD1 LEU 47 2HD1 LEU 47 -6.098 -17.552 -27.094
293 3HD1 LEU 47 1HD1 LEU 47 -6.706 -16.397 -25.911
294 1HD2 LEU 47 2HD2 LEU 47 -7.150 -19.555 -25.910
295 2HD2 LEU 47 1HD2 LEU 47 -6.955 -19.728 -24.173
296 3HD2 LEU 47 3HD2 LEU 47 -7.901 -18.401 -24.817
297 H ARG 48 HN ARG 48 -1.812 -19.611 -22.490
298 HA ARG 48 HA ARG 48 -0.908 -22.013 -23.945
299 1HB ARG 48 2HB ARG 48 0.768 -19.577 -23.185
300 2HB ARG 48 1HB ARG 48 1.547 -21.126 -23.361
301 1HG ARG 48 2HG ARG 48 1.426 -21.077 -25.619
302 2HG ARG 48 1HG ARG 48 -0.261 -20.642 -25.628
303 1HD ARG 48 2HD ARG 48 1.192 -18.276 -24.798
304 2HD ARG 48 1HD ARG 48 2.010 -18.957 -26.197
305 HE ARG 48 HE ARG 48 -0.904 -18.200 -26.144
306 1HH1 ARG 48 1HH1 ARG 48 0.213 -20.235 -28.037
307 2HH1 ARG 48 2HH1 ARG 48 0.509 -19.329 -29.482
308 1HH2 ARG 48 1HH2 ARG 48 0.240 -16.318 -27.597
309 2HH2 ARG 48 2HH2 ARG 48 0.523 -16.903 -29.201
No H/Q in entry = 309
Start of MODEL 19
1 1H PRO 4 1H PRO 4 0.813 -0.109 -0.286
2 2H PRO 4 2H PRO 4 1.034 1.445 -0.941
3 HA PRO 4 HA PRO 4 2.798 0.762 -2.074
4 1HB PRO 4 2HB PRO 4 4.554 -0.540 -0.280
5 2HB PRO 4 1HB PRO 4 4.510 1.200 -0.565
6 1HG PRO 4 2HG PRO 4 3.256 -0.370 1.683
7 2HG PRO 4 1HG PRO 4 3.951 1.251 1.709
8 1HD PRO 4 2HD PRO 4 1.243 0.853 1.665
9 2HD PRO 4 1HD PRO 4 1.985 2.254 0.882
10 H GLY 5 H GLY 5 0.837 -0.732 -2.584
11 1HA GLY 5 2HA GLY 5 1.410 -3.020 -3.756
12 2HA GLY 5 1HA GLY 5 1.512 -3.556 -2.072
13 1HN ABA 6 HN ABA 6 -0.175 -4.991 -3.335
14 HA ABA 6 HA ABA 6 -2.827 -3.912 -2.600
15 1HB ABA 6 1HB ABA 6 -2.825 -5.831 -4.868
16 2HB ABA 6 2HB ABA 6 -1.845 -4.442 -5.205
17 1HG ABA 6 1HG ABA 6 -4.285 -4.164 -5.867
18 2HG ABA 6 2HG ABA 6 -3.677 -2.900 -4.813
19 3HG ABA 6 3HG ABA 6 -4.696 -4.172 -4.162
20 HA PRO 7 HA PRO 7 -2.640 -8.300 -0.895
21 1HB PRO 7 2HB PRO 7 -1.912 -7.522 1.809
22 2HB PRO 7 1HB PRO 7 -1.060 -8.620 0.725
23 1HG PRO 7 2HG PRO 7 -0.116 -6.070 1.474
24 2HG PRO 7 1HG PRO 7 0.448 -6.988 0.095
25 1HD PRO 7 2HD PRO 7 -1.529 -4.689 0.117
26 2HD PRO 7 1HD PRO 7 -0.339 -5.174 -1.103
27 H SER 8 H SER 8 -3.620 -5.250 0.163
28 HA SER 8 HA SER 8 -5.381 -5.150 2.098
29 1HB SER 8 2HB SER 8 -5.304 -3.441 0.198
30 2HB SER 8 1HB SER 8 -6.417 -4.474 -0.706
31 HG SER 8 HG SER 8 -7.494 -4.313 1.667
32 H SER 9 H SER 9 -6.369 -6.835 -0.872
33 HA SER 9 HA SER 9 -7.890 -8.783 0.616
34 1HB SER 9 2HB SER 9 -9.579 -6.834 0.215
35 2HB SER 9 1HB SER 9 -9.321 -7.090 -1.524
36 HG SER 9 HG SER 9 -10.789 -8.551 0.183
37 H TYR 10 H TYR 10 -8.332 -10.474 -0.856
38 HA TYR 10 HA TYR 10 -6.895 -10.356 -3.389
39 1HB TYR 10 2HB TYR 10 -6.536 -12.984 -2.726
40 2HB TYR 10 1HB TYR 10 -5.407 -11.756 -2.229
41 HD1 TYR 10 HD1 TYR 10 -8.136 -13.870 -1.069
42 HD2 TYR 10 HD2 TYR 10 -5.279 -10.926 0.073
43 HE1 TYR 10 HE1 TYR 10 -8.578 -14.358 1.301
44 HE2 TYR 10 HE2 TYR 10 -5.721 -11.422 2.434
45 HH TYR 10 HH TYR 10 -6.863 -13.944 3.601
46 H ASP 11 H ASP 11 -9.789 -10.337 -2.272
47 HA ASP 11 HA ASP 11 -11.087 -12.626 -3.344
48 1HB ASP 11 2HB ASP 11 -12.086 -10.744 -1.790
49 2HB ASP 11 1HB ASP 11 -12.337 -9.842 -3.277
50 H GLY 12 H GLY 12 -11.693 -13.068 -5.441
51 1HA GLY 12 2HA GLY 12 -11.372 -12.999 -7.814
52 2HA GLY 12 1HA GLY 12 -12.299 -11.516 -7.628
53 H TYR 13 H TYR 13 -9.103 -12.220 -6.499
54 HA TYR 13 HA TYR 13 -7.999 -9.841 -7.863
55 1HB TYR 13 2HB TYR 13 -7.664 -10.354 -5.426
56 2HB TYR 13 1HB TYR 13 -6.737 -11.791 -5.854
57 HD1 TYR 13 HD1 TYR 13 -4.651 -11.392 -7.383
58 HD2 TYR 13 HD2 TYR 13 -6.573 -8.289 -5.192
59 HE1 TYR 13 HE1 TYR 13 -2.644 -10.058 -7.545
60 HE2 TYR 13 HE2 TYR 13 -4.545 -6.950 -5.337
61 HH TYR 13 HH TYR 13 -1.615 -8.149 -6.033
62 H CYS 14 H CYS 14 -8.078 -13.175 -8.337
63 HA CYS 14 HA CYS 14 -5.831 -13.048 -10.319
64 1HB CYS 14 2HB CYS 14 -6.916 -15.485 -8.901
65 2HB CYS 14 1HB CYS 14 -5.499 -15.337 -9.899
66 H LEU 15 H LEU 15 -6.352 -14.112 -12.380
67 HA LEU 15 HA LEU 15 -9.300 -14.247 -12.891
68 1HB LEU 15 2HB LEU 15 -7.153 -12.921 -14.246
69 2HB LEU 15 1HB LEU 15 -7.693 -14.174 -15.307
70 HG LEU 15 HG LEU 15 -10.126 -13.016 -14.590
71 1HD1 LEU 15 2HD1 LEU 15 -7.969 -10.841 -14.642
72 2HD1 LEU 15 1HD1 LEU 15 -9.682 -10.514 -14.749
73 3HD1 LEU 15 3HD1 LEU 15 -9.009 -11.215 -13.303
74 1HD2 LEU 15 3HD2 LEU 15 -8.454 -13.187 -16.947
75 2HD2 LEU 15 2HD2 LEU 15 -10.155 -12.802 -16.882
76 3HD2 LEU 15 1HD2 LEU 15 -8.963 -11.522 -16.822
77 H ASN 16 H ASN 16 -6.399 -15.963 -13.473
78 HA ASN 16 HA ASN 16 -7.934 -18.399 -14.134
79 1HB ASN 16 2HB ASN 16 -5.890 -17.165 -15.981
80 2HB ASN 16 1HB ASN 16 -6.118 -18.907 -15.868
81 1HD2 ASN 16 2HD2 ASN 16 -9.197 -16.820 -17.382
82 2HD2 ASN 16 1HD2 ASN 16 -8.223 -16.025 -16.232
83 H GLY 17 H GLY 17 -4.386 -18.171 -14.528
84 1HA GLY 17 2HA GLY 17 -3.907 -20.719 -13.329
85 2HA GLY 17 1HA GLY 17 -2.684 -19.515 -13.680
86 H GLY 18 H GLY 18 -4.355 -17.628 -12.244
87 1HA GLY 18 2HA GLY 18 -3.621 -16.512 -10.244
88 2HA GLY 18 1HA GLY 18 -5.146 -17.307 -9.956
89 H VAL 19 H VAL 19 -1.659 -18.040 -9.588
90 HA VAL 19 HA VAL 19 -2.428 -19.508 -7.159
91 HB VAL 19 HB VAL 19 -0.070 -19.393 -9.101
92 1HG1 VAL 19 3HG1 VAL 19 0.268 -19.971 -6.172
93 2HG1 VAL 19 2HG1 VAL 19 1.310 -20.749 -7.365
94 3HG1 VAL 19 1HG1 VAL 19 1.267 -18.999 -7.241
95 1HG2 VAL 19 1HG2 VAL 19 -1.366 -21.718 -7.641
96 2HG2 VAL 19 3HG2 VAL 19 -1.704 -21.202 -9.290
97 3HG2 VAL 19 2HG2 VAL 19 -0.129 -21.851 -8.885
98 1HN ABA 20 HN ABA 20 -3.000 -18.004 -5.948
99 HA ABA 20 HA ABA 20 -1.940 -15.416 -5.614
100 1HB ABA 20 1HB ABA 20 -3.531 -17.228 -3.770
101 2HB ABA 20 2HB ABA 20 -4.128 -16.118 -4.956
102 1HG ABA 20 1HG ABA 20 -2.305 -14.783 -2.963
103 2HG ABA 20 2HG ABA 20 -3.585 -15.626 -2.154
104 3HG ABA 20 3HG ABA 20 -3.980 -14.386 -3.317
105 H MET 21 H MET 21 0.217 -15.410 -5.433
106 HA MET 21 HA MET 21 1.370 -16.584 -2.925
107 1HB MET 21 2HB MET 21 3.552 -16.644 -4.153
108 2HB MET 21 1HB MET 21 2.353 -17.605 -4.986
109 1HG MET 21 2HG MET 21 1.955 -15.874 -6.620
110 2HG MET 21 1HG MET 21 2.965 -14.737 -5.779
111 1HE MET 21 2HE MET 21 5.606 -15.734 -5.191
112 2HE MET 21 1HE MET 21 5.298 -17.471 -5.347
113 3HE MET 21 3HE MET 21 6.472 -16.690 -6.398
114 H HIS 22 H HIS 22 3.202 -15.152 -2.097
115 HA HIS 22 HA HIS 22 2.271 -12.341 -2.445
116 1HB HIS 22 2HB HIS 22 2.298 -13.407 -0.211
117 2HB HIS 22 1HB HIS 22 4.070 -13.475 -0.332
118 HD1 HIS 22 HD1 HIS 22 3.194 -10.358 -1.827
119 HD2 HIS 22 HD2 HIS 22 3.360 -11.807 2.073
120 HE1 HIS 22 HE1 HIS 22 3.369 -8.467 -0.283
121 H ILE 23 H ILE 23 3.562 -11.017 -3.617
122 HA ILE 23 HA ILE 23 6.246 -11.948 -4.216
123 HB ILE 23 HB ILE 23 4.106 -11.218 -5.851
124 1HG1 ILE 23 2HG1 ILE 23 6.044 -11.022 -7.565
125 2HG1 ILE 23 1HG1 ILE 23 7.062 -11.524 -6.244
126 1HG2 ILE 23 1HG2 ILE 23 4.713 -8.806 -5.074
127 2HG2 ILE 23 3HG2 ILE 23 6.055 -8.941 -6.170
128 3HG2 ILE 23 2HG2 ILE 23 4.407 -9.056 -6.777
129 1HD1 ILE 23 1HD1 ILE 23 5.188 -13.444 -5.975
130 2HD1 ILE 23 3HD1 ILE 23 4.873 -13.058 -7.656
131 3HD1 ILE 23 2HD1 ILE 23 6.455 -13.623 -7.171
132 H GLU 24 H GLU 24 5.183 -10.397 -1.909
133 HA GLU 24 HA GLU 24 5.639 -7.760 -1.667
134 1HB GLU 24 2HB GLU 24 5.837 -9.863 0.267
135 2HB GLU 24 1HB GLU 24 7.434 -9.174 0.333
136 1HG GLU 24 2HG GLU 24 4.816 -7.709 0.950
137 2HG GLU 24 1HG GLU 24 6.157 -8.006 2.017
138 H SER 25 H SER 25 8.057 -10.034 -1.687
139 HA SER 25 HA SER 25 10.476 -9.087 -1.558
140 1HB SER 25 2HB SER 25 9.657 -10.615 -4.047
141 2HB SER 25 1HB SER 25 11.106 -10.890 -3.061
142 HG SER 25 HG SER 25 9.877 -12.119 -1.832
143 H LEU 26 H LEU 26 8.617 -8.627 -4.289
144 HA LEU 26 HA LEU 26 10.422 -6.536 -5.389
145 1HB LEU 26 2HB LEU 26 8.518 -7.179 -7.399
146 2HB LEU 26 1HB LEU 26 10.232 -7.514 -7.431
147 HG LEU 26 HG LEU 26 8.289 -9.245 -5.987
148 1HD1 LEU 26 2HD1 LEU 26 9.035 -9.377 -8.958
149 2HD1 LEU 26 1HD1 LEU 26 8.216 -10.685 -8.130
150 3HD1 LEU 26 3HD1 LEU 26 7.433 -9.123 -8.291
151 1HD2 LEU 26 1HD2 LEU 26 10.869 -9.550 -5.725
152 2HD2 LEU 26 3HD2 LEU 26 10.050 -10.997 -6.300
153 3HD2 LEU 26 2HD2 LEU 26 10.926 -9.972 -7.422
154 H ASP 27 H ASP 27 7.142 -7.386 -4.635
155 HA ASP 27 HA ASP 27 6.500 -4.524 -4.570
156 1HB ASP 27 2HB ASP 27 5.246 -6.498 -6.500
157 2HB ASP 27 1HB ASP 27 4.310 -5.112 -5.971
158 H SER 28 H SER 28 4.203 -7.156 -4.727
159 HA SER 28 HA SER 28 3.605 -6.994 -1.824
160 1HB SER 28 2HB SER 28 1.724 -5.702 -1.875
161 2HB SER 28 1HB SER 28 2.665 -4.928 -3.145
162 HG SER 28 HG SER 28 1.338 -5.718 -4.639
163 H TYR 29 H TYR 29 0.833 -7.726 -2.827
164 HA TYR 29 HA TYR 29 1.455 -10.689 -3.102
165 1HB TYR 29 2HB TYR 29 -0.241 -10.665 -1.391
166 2HB TYR 29 1HB TYR 29 -0.855 -9.099 -1.903
167 HD1 TYR 29 HD1 TYR 29 -0.561 -12.528 -3.413
168 HD2 TYR 29 HD2 TYR 29 -3.090 -9.164 -2.746
169 HE1 TYR 29 HE1 TYR 29 -2.318 -13.588 -4.667
170 HE2 TYR 29 HE2 TYR 29 -4.853 -10.278 -3.975
171 HH TYR 29 HH TYR 29 -4.325 -13.257 -5.748
172 H THR 30 H THR 30 0.829 -11.910 -4.716
173 HA THR 30 HA THR 30 -0.764 -10.710 -6.811
174 HB THR 30 HB THR 30 1.885 -10.104 -6.632
175 HG1 THR 30 HG1 THR 30 0.733 -9.115 -8.162
176 1HG2 THR 30 2HG2 THR 30 2.521 -12.552 -7.176
177 2HG2 THR 30 1HG2 THR 30 1.799 -12.303 -8.763
178 3HG2 THR 30 3HG2 THR 30 3.172 -11.328 -8.258
179 H CYS 31 H CYS 31 -0.468 -12.348 -8.812
180 HA CYS 31 HA CYS 31 -0.751 -15.066 -7.576
181 1HB CYS 31 2HB CYS 31 -2.683 -13.472 -8.998
182 2HB CYS 31 1HB CYS 31 -2.283 -14.841 -10.003
183 H ASN 32 H ASN 32 0.080 -16.755 -8.773
184 HA ASN 32 HA ASN 32 2.070 -15.944 -10.876
185 1HB ASN 32 2HB ASN 32 2.659 -17.414 -8.694
186 2HB ASN 32 1HB ASN 32 1.950 -18.727 -9.620
187 1HD2 ASN 32 2HD2 ASN 32 5.064 -19.112 -11.260
188 2HD2 ASN 32 1HD2 ASN 32 3.802 -19.873 -10.407
189 H CYS 33 H CYS 33 0.843 -15.816 -12.604
190 HA CYS 33 HA CYS 33 -1.223 -17.808 -13.131
191 1HB CYS 33 2HB CYS 33 -0.311 -15.492 -14.928
192 2HB CYS 33 1HB CYS 33 -1.746 -16.415 -14.991
193 H VAL 34 H VAL 34 -1.256 -18.980 -15.007
194 HA VAL 34 HA VAL 34 1.069 -20.442 -15.419
195 HB VAL 34 HB VAL 34 -1.328 -21.164 -15.769
196 1HG1 VAL 34 1HG1 VAL 34 -1.847 -19.071 -17.069
197 2HG1 VAL 34 3HG1 VAL 34 -1.419 -20.002 -18.494
198 3HG1 VAL 34 2HG1 VAL 34 -2.663 -20.589 -17.418
199 1HG2 VAL 34 3HG2 VAL 34 0.556 -22.543 -16.873
200 2HG2 VAL 34 2HG2 VAL 34 -1.066 -22.725 -17.522
201 3HG2 VAL 34 1HG2 VAL 34 0.091 -21.740 -18.379
202 H ILE 35 H ILE 35 2.017 -20.982 -17.263
203 HA ILE 35 HA ILE 35 3.561 -18.958 -18.464
204 HB ILE 35 HB ILE 35 4.378 -21.194 -18.567
205 1HG1 ILE 35 2HG1 ILE 35 3.394 -20.874 -21.426
206 2HG1 ILE 35 1HG1 ILE 35 4.551 -19.746 -20.764
207 1HG2 ILE 35 2HG2 ILE 35 1.686 -21.908 -19.782
208 2HG2 ILE 35 1HG2 ILE 35 3.048 -22.998 -19.902
209 3HG2 ILE 35 3HG2 ILE 35 2.432 -22.578 -18.327
210 1HD1 ILE 35 2HD1 ILE 35 5.962 -21.866 -20.096
211 2HD1 ILE 35 1HD1 ILE 35 4.917 -22.721 -21.223
212 3HD1 ILE 35 3HD1 ILE 35 5.915 -21.398 -21.786
213 H GLY 36 H GLY 36 0.456 -20.030 -19.165
214 1HA GLY 36 2HA GLY 36 0.297 -18.706 -21.793
215 2HA GLY 36 1HA GLY 36 -0.899 -19.778 -21.151
216 H TYR 37 H TYR 37 -0.444 -17.814 -18.655
217 HA TYR 37 HA TYR 37 -2.235 -15.565 -19.432
218 1HB TYR 37 2HB TYR 37 -2.499 -17.064 -16.833
219 2HB TYR 37 1HB TYR 37 -3.641 -15.965 -17.584
220 HD1 TYR 37 HD1 TYR 37 -3.768 -17.503 -20.370
221 HD2 TYR 37 HD2 TYR 37 -4.059 -18.770 -16.352
222 HE1 TYR 37 HE1 TYR 37 -5.189 -19.338 -21.067
223 HE2 TYR 37 HE2 TYR 37 -5.492 -20.626 -17.058
224 HH TYR 37 HH TYR 37 -7.115 -20.968 -19.104
225 H SER 38 H SER 38 -1.188 -13.735 -19.028
226 HA SER 38 HA SER 38 0.623 -13.839 -16.648
227 1HB SER 38 2HB SER 38 1.937 -14.162 -18.782
228 2HB SER 38 1HB SER 38 1.356 -12.599 -19.371
229 HG SER 38 HG SER 38 3.295 -13.112 -17.527
230 H GLY 39 H GLY 39 1.438 -11.112 -17.635
231 1HA GLY 39 2HA GLY 39 0.814 -8.870 -17.382
232 2HA GLY 39 1HA GLY 39 -0.871 -9.364 -17.353
233 H ASP 40 H ASP 40 0.327 -11.286 -15.094
234 HA ASP 40 HA ASP 40 1.032 -10.963 -12.773
235 1HB ASP 40 2HB ASP 40 1.196 -8.405 -13.186
236 2HB ASP 40 1HB ASP 40 -0.511 -8.353 -12.814
237 H ARG 41 H ARG 41 -1.961 -10.976 -14.312
238 HA ARG 41 HA ARG 41 -3.281 -11.942 -11.873
239 1HB ARG 41 2HB ARG 41 -3.643 -9.398 -12.805
240 2HB ARG 41 1HB ARG 41 -4.838 -10.205 -13.776
241 1HG ARG 41 2HG ARG 41 -4.727 -10.762 -10.876
242 2HG ARG 41 1HG ARG 41 -5.343 -9.214 -11.439
243 1HD ARG 41 2HD ARG 41 -6.501 -11.261 -13.029
244 2HD ARG 41 1HD ARG 41 -6.725 -11.642 -11.337
245 HE ARG 41 HE ARG 41 -7.554 -9.044 -12.511
246 1HH1 ARG 41 2HH1 ARG 41 -8.179 -8.118 -10.406
247 2HH1 ARG 41 1HH1 ARG 41 -9.476 -8.962 -9.594
248 1HH2 ARG 41 1HH2 ARG 41 -8.969 -11.818 -11.560
249 2HH2 ARG 41 2HH2 ARG 41 -9.928 -11.129 -10.290
250 H CYS 42 H CYS 42 -2.440 -12.551 -14.955
251 HA CYS 42 HA CYS 42 -2.966 -14.146 -16.397
252 1HB CYS 42 2HB CYS 42 -5.351 -15.311 -15.034
253 2HB CYS 42 1HB CYS 42 -3.915 -16.132 -15.567
254 H GLN 43 H GLN 43 -4.068 -11.663 -16.196
255 HA GLN 43 HA GLN 43 -6.892 -11.751 -17.012
256 1HB GLN 43 2HB GLN 43 -6.665 -9.300 -16.973
257 2HB GLN 43 1HB GLN 43 -6.029 -9.980 -15.473
258 1HG GLN 43 2HG GLN 43 -3.901 -9.828 -17.449
259 2HG GLN 43 1HG GLN 43 -4.738 -8.287 -17.336
260 1HE2 GLN 43 2HE2 GLN 43 -2.061 -9.157 -14.620
261 2HE2 GLN 43 1HE2 GLN 43 -2.245 -10.119 -16.031
262 H THR 44 H THR 44 -3.869 -11.843 -18.266
263 HA THR 44 HA THR 44 -4.801 -11.300 -21.052
264 HB THR 44 HB THR 44 -3.157 -9.746 -19.837
265 HG1 THR 44 HG1 THR 44 -1.844 -10.542 -22.101
266 1HG2 THR 44 3HG2 THR 44 -1.780 -11.607 -18.960
267 2HG2 THR 44 2HG2 THR 44 -1.003 -11.691 -20.531
268 3HG2 THR 44 1HG2 THR 44 -0.938 -10.196 -19.580
269 H ARG 45 H ARG 45 -5.534 -13.331 -21.137
270 HA ARG 45 HA ARG 45 -3.859 -15.604 -20.490
271 1HB ARG 45 2HB ARG 45 -6.565 -15.250 -21.815
272 2HB ARG 45 1HB ARG 45 -5.882 -16.786 -21.353
273 1HG ARG 45 2HG ARG 45 -5.993 -16.386 -19.113
274 2HG ARG 45 1HG ARG 45 -5.898 -14.646 -19.276
275 1HD ARG 45 2HD ARG 45 -8.186 -15.260 -18.589
276 2HD ARG 45 1HD ARG 45 -8.238 -14.616 -20.224
277 HE ARG 45 HE ARG 45 -8.236 -17.551 -19.607
278 1HH1 ARG 45 2HH1 ARG 45 -7.665 -16.710 -22.342
279 2HH1 ARG 45 1HH1 ARG 45 -9.209 -16.729 -23.126
280 1HH2 ARG 45 1HH2 ARG 45 -10.840 -16.763 -20.004
281 2HH2 ARG 45 2HH2 ARG 45 -11.125 -16.759 -21.713
282 H ASP 46 H ASP 46 -2.175 -15.416 -21.735
283 HA ASP 46 HA ASP 46 -2.348 -14.697 -24.433
284 1HB ASP 46 2HB ASP 46 -0.148 -14.809 -23.034
285 2HB ASP 46 1HB ASP 46 -0.265 -16.562 -23.162
286 H LEU 47 H LEU 47 -2.908 -17.448 -22.735
287 HA LEU 47 HA LEU 47 -4.035 -19.394 -23.120
288 1HB LEU 47 2HB LEU 47 -4.527 -17.885 -25.516
289 2HB LEU 47 1HB LEU 47 -4.010 -19.418 -26.142
290 HG LEU 47 HG LEU 47 -6.086 -19.185 -23.899
291 1HD1 LEU 47 3HD1 LEU 47 -6.612 -19.030 -26.891
292 2HD1 LEU 47 2HD1 LEU 47 -7.842 -19.198 -25.647
293 3HD1 LEU 47 1HD1 LEU 47 -6.870 -17.744 -25.722
294 1HD2 LEU 47 3HD2 LEU 47 -5.574 -21.294 -26.052
295 2HD2 LEU 47 2HD2 LEU 47 -5.198 -21.453 -24.338
296 3HD2 LEU 47 1HD2 LEU 47 -6.862 -21.352 -24.866
297 H ARG 48 HN ARG 48 -3.267 -20.981 -25.598
298 HA ARG 48 HA ARG 48 -1.835 -22.890 -25.652
299 1HB ARG 48 2HB ARG 48 0.250 -20.817 -26.415
300 2HB ARG 48 1HB ARG 48 -0.167 -22.304 -27.228
301 1HG ARG 48 2HG ARG 48 -1.239 -20.912 -28.708
302 2HG ARG 48 1HG ARG 48 -2.529 -20.868 -27.540
303 1HD ARG 48 2HD ARG 48 -2.096 -18.531 -27.757
304 2HD ARG 48 1HD ARG 48 -1.004 -18.902 -26.448
305 HE ARG 48 HE ARG 48 -0.057 -18.945 -29.300
306 1HH1 ARG 48 1HH2 ARG 48 1.926 -19.756 -27.468
307 2HH1 ARG 48 2HH2 ARG 48 2.678 -18.310 -26.891
308 1HH2 ARG 48 1HH1 ARG 48 -0.030 -16.371 -28.089
309 2HH2 ARG 48 2HH1 ARG 48 1.492 -16.231 -27.286
No H/Q in entry = 309
Start of MODEL 20
1 1H PRO 4 1H PRO 4 2.508 -0.269 0.359
2 2H PRO 4 2H PRO 4 1.871 1.314 0.304
3 HA PRO 4 HA PRO 4 1.470 1.064 -1.853
4 1HB PRO 4 2HB PRO 4 3.861 0.321 -3.153
5 2HB PRO 4 1HB PRO 4 3.513 1.976 -2.638
6 1HG PRO 4 2HG PRO 4 5.035 -0.203 -1.160
7 2HG PRO 4 1HG PRO 4 5.511 1.482 -1.402
8 1HD PRO 4 2HD PRO 4 4.408 0.747 0.929
9 2HD PRO 4 1HD PRO 4 3.903 2.273 0.188
10 H GLY 5 H GLY 5 0.518 -0.617 -3.045
11 1HA GLY 5 2HA GLY 5 1.139 -3.003 -3.880
12 2HA GLY 5 1HA GLY 5 1.280 -3.354 -2.160
13 1HN ABA 6 HN ABA 6 -0.311 -4.994 -3.274
14 HA ABA 6 HA ABA 6 -3.018 -4.034 -2.566
15 1HB ABA 6 1HB ABA 6 -2.760 -5.994 -4.816
16 2HB ABA 6 2HB ABA 6 -2.187 -4.388 -5.159
17 1HG ABA 6 1HG ABA 6 -4.415 -3.468 -4.384
18 2HG ABA 6 2HG ABA 6 -4.985 -5.121 -4.191
19 3HG ABA 6 3HG ABA 6 -4.540 -4.516 -5.784
20 HA PRO 7 HA PRO 7 -2.533 -8.419 -0.891
21 1HB PRO 7 2HB PRO 7 -1.742 -7.773 1.804
22 2HB PRO 7 1HB PRO 7 -0.799 -8.630 0.589
23 1HG PRO 7 2HG PRO 7 -0.238 -6.013 1.556
24 2HG PRO 7 1HG PRO 7 0.483 -6.787 0.160
25 1HD PRO 7 2HD PRO 7 -1.722 -4.730 0.193
26 2HD PRO 7 1HD PRO 7 -0.498 -5.086 -1.035
27 H SER 8 H SER 8 -3.516 -5.553 0.682
28 HA SER 8 HA SER 8 -5.234 -5.870 2.628
29 1HB SER 8 2HB SER 8 -5.346 -4.172 0.226
30 2HB SER 8 1HB SER 8 -6.975 -4.536 0.799
31 HG SER 8 HG SER 8 -5.206 -2.899 1.931
32 H SER 9 H SER 9 -6.371 -6.844 -0.628
33 HA SER 9 HA SER 9 -7.923 -8.983 0.587
34 1HB SER 9 2HB SER 9 -9.544 -6.972 0.366
35 2HB SER 9 1HB SER 9 -9.231 -7.001 -1.383
36 HG SER 9 HG SER 9 -10.834 -8.618 0.013
37 H TYR 10 H TYR 10 -8.397 -10.456 -0.993
38 HA TYR 10 HA TYR 10 -6.944 -10.260 -3.511
39 1HB TYR 10 2HB TYR 10 -6.700 -12.942 -2.987
40 2HB TYR 10 1HB TYR 10 -5.508 -11.790 -2.471
41 HD1 TYR 10 HD1 TYR 10 -5.414 -10.884 -0.182
42 HD2 TYR 10 HD2 TYR 10 -8.156 -13.959 -1.268
43 HE1 TYR 10 HE1 TYR 10 -5.779 -11.383 2.175
44 HE2 TYR 10 HE2 TYR 10 -8.523 -14.459 1.109
45 HH TYR 10 HH TYR 10 -6.985 -12.619 3.667
46 H ASP 11 H ASP 11 -9.815 -10.153 -2.393
47 HA ASP 11 HA ASP 11 -11.330 -12.290 -3.430
48 1HB ASP 11 2HB ASP 11 -12.143 -9.341 -3.484
49 2HB ASP 11 1HB ASP 11 -13.233 -10.708 -3.443
50 H GLY 12 H GLY 12 -11.733 -12.884 -5.490
51 1HA GLY 12 2HA GLY 12 -11.268 -13.017 -7.837
52 2HA GLY 12 1HA GLY 12 -12.236 -11.548 -7.827
53 H TYR 13 H TYR 13 -9.058 -12.195 -6.571
54 HA TYR 13 HA TYR 13 -7.950 -9.845 -7.964
55 1HB TYR 13 2HB TYR 13 -7.648 -10.322 -5.531
56 2HB TYR 13 1HB TYR 13 -6.694 -11.758 -5.925
57 HD1 TYR 13 HD2 TYR 13 -4.592 -11.425 -7.343
58 HD2 TYR 13 HD1 TYR 13 -6.631 -8.197 -5.464
59 HE1 TYR 13 HE2 TYR 13 -2.595 -10.068 -7.543
60 HE2 TYR 13 HE1 TYR 13 -4.618 -6.840 -5.653
61 HH TYR 13 HH TYR 13 -1.612 -8.069 -6.278
62 H CYS 14 H CYS 14 -8.004 -13.187 -8.382
63 HA CYS 14 HA CYS 14 -5.748 -13.070 -10.356
64 1HB CYS 14 2HB CYS 14 -6.816 -15.516 -8.908
65 2HB CYS 14 1HB CYS 14 -5.392 -15.360 -9.897
66 H LEU 15 H LEU 15 -6.254 -14.144 -12.401
67 HA LEU 15 HA LEU 15 -9.196 -14.278 -12.911
68 1HB LEU 15 2HB LEU 15 -7.034 -13.001 -14.269
69 2HB LEU 15 1HB LEU 15 -7.546 -14.292 -15.295
70 HG LEU 15 HG LEU 15 -9.998 -13.124 -14.636
71 1HD1 LEU 15 3HD1 LEU 15 -7.828 -10.962 -14.740
72 2HD1 LEU 15 2HD1 LEU 15 -9.524 -10.614 -14.964
73 3HD1 LEU 15 1HD1 LEU 15 -8.948 -11.236 -13.442
74 1HD2 LEU 15 2HD2 LEU 15 -8.244 -13.330 -16.976
75 2HD2 LEU 15 1HD2 LEU 15 -9.980 -13.172 -16.934
76 3HD2 LEU 15 3HD2 LEU 15 -8.970 -11.743 -16.949
77 H ASN 16 H ASN 16 -6.312 -16.051 -13.412
78 HA ASN 16 HA ASN 16 -7.878 -18.485 -13.971
79 1HB ASN 16 2HB ASN 16 -5.916 -17.289 -15.922
80 2HB ASN 16 1HB ASN 16 -6.135 -19.041 -15.805
81 1HD2 ASN 16 2HD2 ASN 16 -9.270 -16.914 -17.171
82 2HD2 ASN 16 1HD2 ASN 16 -8.192 -16.111 -16.132
83 H GLY 17 H GLY 17 -4.393 -18.229 -14.550
84 1HA GLY 17 2HA GLY 17 -3.736 -20.707 -13.339
85 2HA GLY 17 1HA GLY 17 -2.578 -19.429 -13.654
86 H GLY 18 H GLY 18 -4.211 -17.619 -12.234
87 1HA GLY 18 2HA GLY 18 -3.594 -16.505 -10.216
88 2HA GLY 18 1HA GLY 18 -5.080 -17.375 -9.929
89 H VAL 19 H VAL 19 -1.555 -18.073 -9.622
90 HA VAL 19 HA VAL 19 -2.281 -19.465 -7.134
91 HB VAL 19 HB VAL 19 0.041 -19.436 -9.137
92 1HG1 VAL 19 3HG1 VAL 19 0.391 -20.048 -6.213
93 2HG1 VAL 19 2HG1 VAL 19 1.429 -20.776 -7.442
94 3HG1 VAL 19 1HG1 VAL 19 1.372 -19.031 -7.259
95 1HG2 VAL 19 2HG2 VAL 19 -1.322 -21.712 -7.642
96 2HG2 VAL 19 1HG2 VAL 19 -1.641 -21.209 -9.293
97 3HG2 VAL 19 3HG2 VAL 19 -0.090 -21.905 -8.882
98 1HN ABA 20 HN ABA 20 -2.792 -17.934 -5.974
99 HA ABA 20 HA ABA 20 -1.780 -15.322 -5.744
100 1HB ABA 20 1HB ABA 20 -3.358 -17.150 -3.917
101 2HB ABA 20 2HB ABA 20 -3.930 -15.980 -5.047
102 1HG ABA 20 1HG ABA 20 -3.842 -14.370 -3.309
103 2HG ABA 20 2HG ABA 20 -2.148 -14.724 -2.999
104 3HG ABA 20 3HG ABA 20 -3.387 -15.661 -2.225
105 H MET 21 H MET 21 0.381 -15.131 -5.534
106 HA MET 21 HA MET 21 1.583 -16.214 -3.023
107 1HB MET 21 2HB MET 21 3.764 -16.259 -4.253
108 2HB MET 21 1HB MET 21 2.595 -17.392 -4.889
109 1HG MET 21 2HG MET 21 2.095 -15.975 -6.768
110 2HG MET 21 1HG MET 21 3.038 -14.659 -6.141
111 1HE MET 21 2HE MET 21 5.745 -15.452 -5.390
112 2HE MET 21 1HE MET 21 5.527 -17.206 -5.318
113 3HE MET 21 3HE MET 21 6.653 -16.511 -6.473
114 H HIS 22 H HIS 22 2.074 -14.683 -1.668
115 HA HIS 22 HA HIS 22 1.890 -11.952 -2.360
116 1HB HIS 22 2HB HIS 22 1.608 -12.830 -0.123
117 2HB HIS 22 1HB HIS 22 3.351 -13.216 -0.071
118 HD1 HIS 22 HD1 HIS 22 3.103 -10.066 -1.673
119 HD2 HIS 22 HD2 HIS 22 2.804 -11.382 2.257
120 HE1 HIS 22 HE1 HIS 22 3.503 -8.158 -0.151
121 H ILE 23 H ILE 23 3.362 -10.885 -3.656
122 HA ILE 23 HA ILE 23 6.051 -11.993 -3.969
123 HB ILE 23 HB ILE 23 4.091 -11.305 -5.766
124 1HG1 ILE 23 2HG1 ILE 23 6.288 -10.974 -7.273
125 2HG1 ILE 23 1HG1 ILE 23 7.030 -11.727 -5.891
126 1HG2 ILE 23 1HG2 ILE 23 4.620 -8.847 -4.984
127 2HG2 ILE 23 3HG2 ILE 23 5.971 -8.973 -6.072
128 3HG2 ILE 23 2HG2 ILE 23 4.324 -9.148 -6.679
129 1HD1 ILE 23 1HD1 ILE 23 4.902 -13.404 -6.189
130 2HD1 ILE 23 3HD1 ILE 23 5.064 -12.871 -7.851
131 3HD1 ILE 23 2HD1 ILE 23 6.405 -13.659 -7.054
132 H GLU 24 H GLU 24 5.137 -10.351 -1.710
133 HA GLU 24 HA GLU 24 5.776 -7.713 -1.660
134 1HB GLU 24 2HB GLU 24 5.674 -9.665 0.408
135 2HB GLU 24 1HB GLU 24 7.354 -9.224 0.453
136 1HG GLU 24 2HG GLU 24 5.169 -7.088 0.569
137 2HG GLU 24 1HG GLU 24 5.857 -7.829 1.999
138 H SER 25 H SER 25 7.888 -10.268 -1.794
139 HA SER 25 HA SER 25 10.427 -9.547 -1.602
140 1HB SER 25 2HB SER 25 9.551 -10.953 -4.148
141 2HB SER 25 1HB SER 25 10.834 -11.462 -3.038
142 HG SER 25 HG SER 25 9.310 -12.553 -2.011
143 H LEU 26 H LEU 26 8.522 -8.832 -4.251
144 HA LEU 26 HA LEU 26 10.448 -6.820 -5.296
145 1HB LEU 26 2HB LEU 26 8.533 -7.261 -7.336
146 2HB LEU 26 1HB LEU 26 10.225 -7.689 -7.375
147 HG LEU 26 HG LEU 26 8.146 -9.350 -6.054
148 1HD1 LEU 26 3HD1 LEU 26 9.001 -9.337 -9.011
149 2HD1 LEU 26 2HD1 LEU 26 8.144 -10.695 -8.315
150 3HD1 LEU 26 1HD1 LEU 26 7.377 -9.120 -8.384
151 1HD2 LEU 26 3HD2 LEU 26 10.714 -9.828 -5.751
152 2HD2 LEU 26 2HD2 LEU 26 9.795 -11.198 -6.365
153 3HD2 LEU 26 1HD2 LEU 26 10.759 -10.222 -7.453
154 H ASP 27 H ASP 27 7.118 -7.507 -4.529
155 HA ASP 27 HA ASP 27 6.671 -4.609 -4.405
156 1HB ASP 27 2HB ASP 27 5.299 -6.389 -6.443
157 2HB ASP 27 1HB ASP 27 4.456 -4.970 -5.851
158 H SER 28 H SER 28 4.205 -7.055 -4.684
159 HA SER 28 HA SER 28 3.500 -6.821 -1.799
160 1HB SER 28 2HB SER 28 1.707 -5.429 -1.959
161 2HB SER 28 1HB SER 28 2.674 -4.748 -3.258
162 HG SER 28 HG SER 28 1.284 -5.506 -4.702
163 H TYR 29 H TYR 29 0.757 -7.488 -2.938
164 HA TYR 29 HA TYR 29 1.367 -10.428 -3.132
165 1HB TYR 29 2HB TYR 29 -0.301 -10.410 -1.460
166 2HB TYR 29 1HB TYR 29 -0.969 -8.883 -2.043
167 HD1 TYR 29 HD1 TYR 29 -0.486 -12.342 -3.459
168 HD2 TYR 29 HD2 TYR 29 -3.203 -9.110 -2.857
169 HE1 TYR 29 HE1 TYR 29 -2.187 -13.515 -4.698
170 HE2 TYR 29 HE2 TYR 29 -4.894 -10.325 -4.081
171 HH TYR 29 HH TYR 29 -4.210 -13.364 -5.727
172 H THR 30 H THR 30 0.967 -11.637 -4.744
173 HA THR 30 HA THR 30 -0.664 -10.573 -6.908
174 HB THR 30 HB THR 30 1.932 -9.941 -6.715
175 HG1 THR 30 HG1 THR 30 1.305 -10.421 -9.317
176 1HG2 THR 30 2HG2 THR 30 2.621 -12.425 -7.022
177 2HG2 THR 30 1HG2 THR 30 2.005 -12.332 -8.662
178 3HG2 THR 30 3HG2 THR 30 3.333 -11.291 -8.159
179 H CYS 31 H CYS 31 -0.346 -12.272 -8.779
180 HA CYS 31 HA CYS 31 -0.586 -14.971 -7.522
181 1HB CYS 31 2HB CYS 31 -2.569 -13.413 -8.924
182 2HB CYS 31 1HB CYS 31 -2.142 -14.750 -9.953
183 H ASN 32 H ASN 32 0.113 -16.676 -8.878
184 HA ASN 32 HA ASN 32 2.078 -15.875 -11.025
185 1HB ASN 32 2HB ASN 32 2.891 -17.200 -8.884
186 2HB ASN 32 1HB ASN 32 2.006 -18.563 -9.548
187 1HD2 ASN 32 2HD2 ASN 32 4.745 -19.298 -11.642
188 2HD2 ASN 32 1HD2 ASN 32 3.532 -19.902 -10.614
189 H CYS 33 H CYS 33 0.821 -15.820 -12.690
190 HA CYS 33 HA CYS 33 -1.301 -17.767 -13.074
191 1HB CYS 33 2HB CYS 33 -0.292 -15.570 -14.969
192 2HB CYS 33 1HB CYS 33 -1.760 -16.446 -15.051
193 H VAL 34 H VAL 34 -1.436 -18.800 -15.280
194 HA VAL 34 HA VAL 34 0.898 -20.458 -15.465
195 HB VAL 34 HB VAL 34 -1.479 -21.201 -15.876
196 1HG1 VAL 34 2HG1 VAL 34 -1.942 -19.082 -17.255
197 2HG1 VAL 34 1HG1 VAL 34 -1.616 -20.138 -18.626
198 3HG1 VAL 34 3HG1 VAL 34 -2.831 -20.582 -17.455
199 1HG2 VAL 34 1HG2 VAL 34 0.470 -22.540 -16.926
200 2HG2 VAL 34 3HG2 VAL 34 -1.136 -22.792 -17.585
201 3HG2 VAL 34 2HG2 VAL 34 -0.006 -21.789 -18.452
202 H ILE 35 H ILE 35 1.905 -20.985 -17.290
203 HA ILE 35 HA ILE 35 3.452 -18.916 -18.428
204 HB ILE 35 HB ILE 35 4.259 -21.176 -18.457
205 1HG1 ILE 35 2HG1 ILE 35 3.628 -20.803 -21.397
206 2HG1 ILE 35 1HG1 ILE 35 4.618 -19.625 -20.575
207 1HG2 ILE 35 3HG2 ILE 35 1.630 -21.804 -19.817
208 2HG2 ILE 35 2HG2 ILE 35 2.991 -22.879 -20.044
209 3HG2 ILE 35 1HG2 ILE 35 2.382 -22.588 -18.435
210 1HD1 ILE 35 3HD1 ILE 35 5.210 -22.615 -20.673
211 2HD1 ILE 35 2HD1 ILE 35 6.033 -21.384 -21.609
212 3HD1 ILE 35 1HD1 ILE 35 6.203 -21.410 -19.864
213 H GLY 36 H GLY 36 0.372 -19.988 -19.164
214 1HA GLY 36 2HA GLY 36 0.293 -18.734 -21.814
215 2HA GLY 36 1HA GLY 36 -1.008 -19.674 -21.109
216 H TYR 37 H TYR 37 -0.778 -18.011 -18.593
217 HA TYR 37 HA TYR 37 -2.200 -15.558 -19.492
218 1HB TYR 37 2HB TYR 37 -2.570 -16.989 -16.892
219 2HB TYR 37 1HB TYR 37 -3.681 -15.876 -17.686
220 HD1 TYR 37 HD2 TYR 37 -3.376 -17.447 -20.513
221 HD2 TYR 37 HD1 TYR 37 -4.326 -18.639 -16.564
222 HE1 TYR 37 HE2 TYR 37 -4.669 -19.283 -21.381
223 HE2 TYR 37 HE1 TYR 37 -5.648 -20.509 -17.472
224 HH TYR 37 HH TYR 37 -6.745 -21.148 -19.530
225 H SER 38 H SER 38 -1.221 -13.724 -19.089
226 HA SER 38 HA SER 38 0.639 -13.734 -16.760
227 1HB SER 38 2HB SER 38 1.889 -14.082 -18.930
228 2HB SER 38 1HB SER 38 1.284 -12.525 -19.514
229 HG SER 38 HG SER 38 3.277 -13.029 -17.742
230 H GLY 39 H GLY 39 1.415 -11.034 -17.772
231 1HA GLY 39 2HA GLY 39 0.782 -8.793 -17.546
232 2HA GLY 39 1HA GLY 39 -0.905 -9.294 -17.466
233 H ASP 40 H ASP 40 0.319 -11.226 -15.263
234 HA ASP 40 HA ASP 40 1.114 -10.959 -12.979
235 1HB ASP 40 2HB ASP 40 1.324 -8.410 -13.328
236 2HB ASP 40 1HB ASP 40 -0.381 -8.329 -12.920
237 H ARG 41 H ARG 41 -1.908 -10.973 -14.407
238 HA ARG 41 HA ARG 41 -3.174 -11.891 -11.926
239 1HB ARG 41 2HB ARG 41 -3.593 -9.368 -12.906
240 2HB ARG 41 1HB ARG 41 -4.780 -10.217 -13.851
241 1HG ARG 41 2HG ARG 41 -4.647 -10.752 -10.944
242 2HG ARG 41 1HG ARG 41 -5.276 -9.209 -11.502
243 1HD ARG 41 2HD ARG 41 -6.419 -11.272 -13.088
244 2HD ARG 41 1HD ARG 41 -6.655 -11.639 -11.394
245 HE ARG 41 HE ARG 41 -7.473 -9.045 -12.602
246 1HH1 ARG 41 2HH1 ARG 41 -8.104 -8.124 -10.456
247 2HH1 ARG 41 1HH1 ARG 41 -9.421 -8.971 -9.683
248 1HH2 ARG 41 1HH2 ARG 41 -8.921 -11.793 -11.695
249 2HH2 ARG 41 2HH2 ARG 41 -9.896 -11.113 -10.434
250 H CYS 42 H CYS 42 -2.419 -12.533 -15.032
251 HA CYS 42 HA CYS 42 -2.922 -14.187 -16.417
252 1HB CYS 42 2HB CYS 42 -5.335 -15.332 -15.036
253 2HB CYS 42 1HB CYS 42 -3.910 -16.167 -15.569
254 H GLN 43 H GLN 43 -3.998 -11.701 -16.304
255 HA GLN 43 HA GLN 43 -6.839 -11.816 -17.072
256 1HB GLN 43 2HB GLN 43 -6.557 -9.339 -17.199
257 2HB GLN 43 1HB GLN 43 -6.017 -9.990 -15.653
258 1HG GLN 43 2HG GLN 43 -3.780 -10.051 -17.462
259 2HG GLN 43 1HG GLN 43 -4.547 -8.476 -17.581
260 1HE2 GLN 43 2HE2 GLN 43 -2.045 -9.098 -14.678
261 2HE2 GLN 43 1HE2 GLN 43 -2.168 -10.120 -16.055
262 H THR 44 H THR 44 -3.821 -11.836 -18.446
263 HA THR 44 HA THR 44 -4.922 -11.416 -21.205
264 HB THR 44 HB THR 44 -3.181 -9.817 -20.185
265 HG1 THR 44 HG1 THR 44 -1.893 -10.797 -22.393
266 1HG2 THR 44 2HG2 THR 44 -1.823 -11.740 -19.216
267 2HG2 THR 44 1HG2 THR 44 -1.129 -11.908 -20.817
268 3HG2 THR 44 3HG2 THR 44 -0.954 -10.384 -19.926
269 H ARG 45 H ARG 45 -5.757 -13.449 -20.961
270 HA ARG 45 HA ARG 45 -4.138 -15.697 -20.286
271 1HB ARG 45 2HB ARG 45 -6.759 -15.794 -21.834
272 2HB ARG 45 1HB ARG 45 -6.101 -16.941 -20.725
273 1HG ARG 45 2HG ARG 45 -6.320 -15.468 -18.827
274 2HG ARG 45 1HG ARG 45 -6.948 -14.176 -19.811
275 1HD ARG 45 2HD ARG 45 -8.378 -16.838 -19.441
276 2HD ARG 45 1HD ARG 45 -8.711 -15.381 -18.521
277 HE ARG 45 HE ARG 45 -10.271 -15.348 -20.333
278 1HH1 ARG 45 2HH1 ARG 45 -8.428 -13.056 -20.869
279 2HH1 ARG 45 1HH1 ARG 45 -8.186 -13.189 -22.582
280 1HH2 ARG 45 1HH2 ARG 45 -9.428 -16.486 -22.564
281 2HH2 ARG 45 2HH2 ARG 45 -8.766 -15.272 -23.607
282 H ASP 46 H ASP 46 -2.429 -15.456 -21.644
283 HA ASP 46 HA ASP 46 -2.951 -15.090 -24.468
284 1HB ASP 46 2HB ASP 46 -0.855 -14.098 -23.385
285 2HB ASP 46 1HB ASP 46 -0.303 -15.729 -23.043
286 H LEU 47 H LEU 47 -4.209 -17.252 -23.563
287 HA LEU 47 HA LEU 47 -4.256 -19.583 -23.218
288 1HB LEU 47 2HB LEU 47 -4.244 -19.103 -26.205
289 2HB LEU 47 1HB LEU 47 -5.090 -20.380 -25.372
290 HG LEU 47 HG LEU 47 -5.643 -17.381 -24.986
291 1HD1 LEU 47 1HD1 LEU 47 -6.312 -18.350 -27.213
292 2HD1 LEU 47 3HD1 LEU 47 -7.356 -19.480 -26.362
293 3HD1 LEU 47 2HD1 LEU 47 -7.660 -17.751 -26.261
294 1HD2 LEU 47 2HD2 LEU 47 -6.718 -19.884 -23.646
295 2HD2 LEU 47 1HD2 LEU 47 -6.414 -18.300 -22.945
296 3HD2 LEU 47 3HD2 LEU 47 -7.829 -18.563 -23.940
297 H ARG 48 HN ARG 48 -1.228 -19.217 -23.431
298 HA ARG 48 HA ARG 48 -0.678 -21.909 -24.552
299 1HB ARG 48 2HB ARG 48 1.742 -20.940 -25.002
300 2HB ARG 48 1HB ARG 48 0.460 -20.477 -26.091
301 1HG ARG 48 2HG ARG 48 0.552 -18.309 -25.526
302 2HG ARG 48 1HG ARG 48 0.605 -18.628 -23.818
303 1HD ARG 48 2HD ARG 48 2.672 -17.831 -23.851
304 2HD ARG 48 1HD ARG 48 3.187 -19.337 -24.598
305 HE ARG 48 HE ARG 48 2.336 -16.898 -26.133
306 1HH1 ARG 48 1HH1 ARG 48 2.382 -19.266 -27.739
307 2HH1 ARG 48 2HH1 ARG 48 3.991 -19.385 -28.355
308 1HH2 ARG 48 1HH2 ARG 48 5.139 -17.138 -25.864
309 2HH2 ARG 48 2HH2 ARG 48 5.670 -18.074 -27.221
No H/Q in entry = 309
No H/Q in entry = 309