Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
5379 | 1ha9 RC | 5176 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H SER 1 H SER 1 4.627 0.522 -0.925
2 HA SER 1 HA SER 1 2.152 1.989 -0.944
3 1HB SER 1 1HB SER 1 4.416 2.839 -0.169
4 2HB SER 1 2HB SER 1 4.838 3.047 -1.881
5 HG SER 1 HG SER 1 3.936 4.955 -1.314
6 H GLY 2 H GLY 2 0.788 2.470 -2.532
7 1HA GLY 2 1HA GLY 2 -0.092 2.239 -4.762
8 2HA GLY 2 2HA GLY 2 1.529 2.035 -5.393
9 H SER 3 H SER 3 1.701 4.548 -3.253
10 HA SER 3 HA SER 3 2.002 6.747 -3.279
11 1HB SER 3 1HB SER 3 2.351 6.458 -6.271
12 2HB SER 3 2HB SER 3 2.807 7.862 -5.296
13 HG SER 3 HG SER 3 4.573 6.426 -5.646
14 H ASP 4 H ASP 4 -0.335 5.967 -5.856
15 HA ASP 4 HA ASP 4 -1.588 8.513 -6.038
16 1HB ASP 4 1HB ASP 4 -1.777 6.664 -7.676
17 2HB ASP 4 2HB ASP 4 -2.741 5.739 -6.525
18 H GLY 5 H GLY 5 -2.132 5.902 -3.746
19 1HA GLY 5 1HA GLY 5 -3.734 5.646 -2.029
20 2HA GLY 5 2HA GLY 5 -4.475 7.184 -2.457
21 H GLY 6 H GLY 6 -1.235 7.842 -2.285
22 1HA GLY 6 1HA GLY 6 -1.196 8.459 0.653
23 2HA GLY 6 2HA GLY 6 -0.419 9.446 -0.590
24 H VAL 7 H VAL 7 1.135 8.770 1.390
25 HA VAL 7 HA VAL 7 3.101 6.786 0.402
26 HB VAL 7 HB VAL 7 3.134 8.488 2.937
27 1HG1 VAL 7 1HG1 VAL 7 5.322 6.831 1.592
28 2HG1 VAL 7 2HG1 VAL 7 5.563 7.944 2.954
29 3HG1 VAL 7 3HG1 VAL 7 4.583 6.497 3.174
30 1HG2 VAL 7 1HG2 VAL 7 4.545 8.874 0.260
31 2HG2 VAL 7 2HG2 VAL 7 3.254 9.901 0.921
32 3HG2 VAL 7 3HG2 VAL 7 4.821 9.840 1.728
33 H CYS 8 H CYS 8 2.643 4.650 0.787
34 HA CYS 8 HA CYS 8 1.277 3.864 3.280
35 1HB CYS 8 1HB CYS 8 1.073 2.537 1.107
36 2HB CYS 8 2HB CYS 8 2.740 2.028 1.385
37 HA PRO 9 HA PRO 9 5.079 3.464 5.794
38 1HB PRO 9 1HB PRO 9 3.247 1.384 7.024
39 2HB PRO 9 2HB PRO 9 4.383 2.500 7.850
40 1HG PRO 9 1HG PRO 9 1.761 3.124 7.715
41 2HG PRO 9 2HG PRO 9 2.988 4.386 7.370
42 1HD PRO 9 1HD PRO 9 1.305 2.819 5.422
43 2HD PRO 9 2HD PRO 9 1.831 4.537 5.361
44 H LYS 10 H LYS 10 3.869 1.043 3.719
45 HA LYS 10 HA LYS 10 4.690 -0.905 2.784
46 1HB LYS 10 1HB LYS 10 7.218 0.693 3.259
47 2HB LYS 10 2HB LYS 10 7.188 -0.782 2.300
48 1HG LYS 10 1HG LYS 10 5.851 0.103 0.624
49 2HG LYS 10 2HG LYS 10 5.274 1.453 1.596
50 1HD LYS 10 1HD LYS 10 8.174 1.137 0.709
51 2HD LYS 10 2HD LYS 10 6.956 2.044 -0.201
52 1HE LYS 10 1HE LYS 10 6.564 3.525 1.747
53 2HE LYS 10 2HE LYS 10 7.773 2.639 2.679
54 1HZ LYS 10 1HZ LYS 10 8.333 4.156 0.185
55 2HZ LYS 10 2HZ LYS 10 8.723 4.638 1.695
56 3HZ LYS 10 3HZ LYS 10 9.449 3.328 1.048
57 H ILE 11 H ILE 11 3.848 -1.907 4.822
58 HA ILE 11 HA ILE 11 5.831 -3.311 6.477
59 HB ILE 11 HB ILE 11 3.886 -4.475 7.422
60 1HG1 ILE 11 1HG1 ILE 11 2.122 -2.728 5.638
61 2HG1 ILE 11 2HG1 ILE 11 2.395 -4.453 5.399
62 1HG2 ILE 11 1HG2 ILE 11 4.744 -2.297 8.302
63 2HG2 ILE 11 2HG2 ILE 11 3.496 -1.451 7.361
64 3HG2 ILE 11 3HG2 ILE 11 3.041 -2.567 8.663
65 1HD1 ILE 11 1HD1 ILE 11 1.446 -4.891 7.687
66 2HD1 ILE 11 2HD1 ILE 11 0.991 -3.171 7.763
67 3HD1 ILE 11 3HD1 ILE 11 0.301 -4.218 6.513
68 H LEU 12 H LEU 12 6.263 -5.453 6.391
69 HA LEU 12 HA LEU 12 6.187 -6.768 3.758
70 1HB LEU 12 1HB LEU 12 7.514 -7.533 6.388
71 2HB LEU 12 2HB LEU 12 7.524 -8.548 4.945
72 HG LEU 12 HG LEU 12 8.634 -6.726 3.651
73 1HD1 LEU 12 1HD1 LEU 12 8.969 -5.447 6.403
74 2HD1 LEU 12 2HD1 LEU 12 9.943 -5.037 4.974
75 3HD1 LEU 12 3HD1 LEU 12 8.217 -4.715 4.960
76 1HD2 LEU 12 1HD2 LEU 12 9.850 -8.646 4.609
77 2HD2 LEU 12 2HD2 LEU 12 10.849 -7.188 4.617
78 3HD2 LEU 12 3HD2 LEU 12 10.090 -7.748 6.125
79 H LYS 13 H LYS 13 3.649 -6.483 4.623
80 HA LYS 13 HA LYS 13 2.580 -9.057 5.646
81 1HB LYS 13 1HB LYS 13 1.561 -6.857 6.232
82 2HB LYS 13 2HB LYS 13 1.124 -6.614 4.534
83 1HG LYS 13 1HG LYS 13 -0.274 -8.678 4.621
84 2HG LYS 13 2HG LYS 13 0.218 -8.930 6.308
85 1HD LYS 13 1HD LYS 13 -0.807 -6.684 6.864
86 2HD LYS 13 2HD LYS 13 -1.407 -6.604 5.190
87 1HE LYS 13 1HE LYS 13 -2.578 -8.800 5.572
88 2HE LYS 13 2HE LYS 13 -2.033 -8.767 7.256
89 1HZ LYS 13 1HZ LYS 13 -3.290 -6.664 7.512
90 2HZ LYS 13 2HZ LYS 13 -3.810 -6.781 5.954
91 3HZ LYS 13 3HZ LYS 13 -4.277 -7.887 7.065
92 H LYS 14 H LYS 14 2.571 -10.764 4.276
93 HA LYS 14 HA LYS 14 2.517 -10.541 1.388
94 1HB LYS 14 1HB LYS 14 2.225 -12.954 1.363
95 2HB LYS 14 2HB LYS 14 3.568 -12.449 2.378
96 1HG LYS 14 1HG LYS 14 2.203 -12.840 4.419
97 2HG LYS 14 2HG LYS 14 0.824 -13.290 3.407
98 1HD LYS 14 1HD LYS 14 1.872 -15.296 4.225
99 2HD LYS 14 2HD LYS 14 2.120 -15.193 2.477
100 1HE LYS 14 1HE LYS 14 4.427 -14.333 2.859
101 2HE LYS 14 2HE LYS 14 4.164 -14.400 4.606
102 1HZ LYS 14 1HZ LYS 14 4.124 -16.749 2.786
103 2HZ LYS 14 2HZ LYS 14 5.341 -16.365 3.802
104 3HZ LYS 14 3HZ LYS 14 3.892 -16.813 4.403
105 H CYS 15 H CYS 15 0.844 -10.900 0.037
106 HA CYS 15 HA CYS 15 -1.969 -10.970 1.081
107 1HB CYS 15 1HB CYS 15 -2.540 -8.934 -0.183
108 2HB CYS 15 2HB CYS 15 -1.357 -8.645 1.044
109 H ARG 16 H ARG 16 -3.596 -10.909 -0.596
110 HA ARG 16 HA ARG 16 -2.942 -12.335 -3.157
111 1HB ARG 16 1HB ARG 16 -4.095 -13.745 -1.466
112 2HB ARG 16 2HB ARG 16 -5.395 -12.556 -1.358
113 1HG ARG 16 1HG ARG 16 -5.998 -12.997 -3.736
114 2HG ARG 16 2HG ARG 16 -4.636 -14.123 -3.869
115 1HD ARG 16 1HD ARG 16 -6.672 -15.385 -3.546
116 2HD ARG 16 2HD ARG 16 -5.658 -15.544 -2.102
117 HE ARG 16 HE ARG 16 -7.552 -13.365 -1.822
118 1HH1 ARG 16 1HH1 ARG 16 -9.263 -13.502 -0.442
119 2HH1 ARG 16 2HH1 ARG 16 -9.819 -15.063 0.096
120 1HH2 ARG 16 1HH2 ARG 16 -7.470 -16.858 -1.638
121 2HH2 ARG 16 2HH2 ARG 16 -8.834 -16.916 -0.551
122 H ARG 17 H ARG 17 -4.683 -9.719 -1.568
123 HA ARG 17 HA ARG 17 -4.953 -8.359 -4.148
124 1HB ARG 17 1HB ARG 17 -7.121 -9.763 -3.630
125 2HB ARG 17 2HB ARG 17 -7.415 -8.522 -2.405
126 1HG ARG 17 1HG ARG 17 -8.700 -8.195 -4.431
127 2HG ARG 17 2HG ARG 17 -7.695 -6.817 -4.067
128 1HD ARG 17 1HD ARG 17 -6.823 -8.978 -6.049
129 2HD ARG 17 2HD ARG 17 -7.910 -7.683 -6.531
130 HE ARG 17 HE ARG 17 -6.164 -6.014 -6.001
131 1HH1 ARG 17 1HH1 ARG 17 -4.247 -5.347 -6.384
132 2HH1 ARG 17 2HH1 ARG 17 -2.969 -6.421 -6.929
133 1HH2 ARG 17 1HH2 ARG 17 -4.920 -9.257 -6.605
134 2HH2 ARG 17 2HH2 ARG 17 -3.381 -8.604 -7.092
135 H ASP 18 H ASP 18 -6.071 -6.195 -3.746
136 HA ASP 18 HA ASP 18 -4.225 -4.668 -2.086
137 1HB ASP 18 1HB ASP 18 -6.753 -3.645 -3.430
138 2HB ASP 18 2HB ASP 18 -5.351 -2.697 -2.907
139 H SER 19 H SER 19 -7.492 -5.833 -1.593
140 HA SER 19 HA SER 19 -8.258 -4.241 0.664
141 1HB SER 19 1HB SER 19 -9.105 -7.071 -0.068
142 2HB SER 19 2HB SER 19 -9.958 -5.959 1.019
143 HG SER 19 HG SER 19 -10.862 -5.940 -1.086
144 H ASP 20 H ASP 20 -6.060 -6.893 0.357
145 HA ASP 20 HA ASP 20 -5.987 -7.709 3.187
146 1HB ASP 20 1HB ASP 20 -3.970 -7.923 0.946
147 2HB ASP 20 2HB ASP 20 -3.688 -8.644 2.478
148 H CYS 21 H CYS 21 -4.632 -5.006 1.412
149 HA CYS 21 HA CYS 21 -2.455 -4.611 3.355
150 1HB CYS 21 1HB CYS 21 -3.126 -3.275 0.706
151 2HB CYS 21 2HB CYS 21 -1.667 -2.993 1.646
152 HA PRO 22 HA PRO 22 -4.276 -1.117 5.415
153 1HB PRO 22 1HB PRO 22 -2.113 0.416 6.105
154 2HB PRO 22 2HB PRO 22 -2.452 -1.184 6.835
155 1HG PRO 22 1HG PRO 22 -0.588 -0.553 4.528
156 2HG PRO 22 2HG PRO 22 -0.231 -1.510 6.001
157 1HD PRO 22 1HD PRO 22 -0.929 -2.700 3.667
158 2HD PRO 22 2HD PRO 22 -1.523 -3.338 5.227
159 H GLY 23 H GLY 23 -4.625 1.140 5.305
160 1HA GLY 23 1HA GLY 23 -4.599 3.319 4.275
161 2HA GLY 23 2HA GLY 23 -5.858 2.353 3.531
162 H ALA 24 H ALA 24 -2.463 3.336 3.099
163 HA ALA 24 HA ALA 24 -3.050 4.156 0.334
164 1HB ALA 24 1HB ALA 24 -0.629 4.570 2.128
165 2HB ALA 24 2HB ALA 24 -0.906 5.335 0.551
166 3HB ALA 24 3HB ALA 24 -1.983 5.698 1.908
167 H CYS 25 H CYS 25 -1.791 1.280 1.624
168 HA CYS 25 HA CYS 25 0.186 0.760 -0.482
169 1HB CYS 25 1HB CYS 25 -1.002 -0.894 1.747
170 2HB CYS 25 2HB CYS 25 -0.118 -1.637 0.433
171 H ILE 26 H ILE 26 0.029 -1.098 -1.769
172 HA ILE 26 HA ILE 26 -2.609 -2.099 -2.723
173 HB ILE 26 HB ILE 26 -1.575 -2.253 -5.010
174 1HG1 ILE 26 1HG1 ILE 26 0.464 -0.199 -4.089
175 2HG1 ILE 26 2HG1 ILE 26 0.840 -1.916 -4.118
176 1HG2 ILE 26 1HG2 ILE 26 -3.213 -0.494 -4.389
177 2HG2 ILE 26 2HG2 ILE 26 -1.877 0.593 -3.955
178 3HG2 ILE 26 3HG2 ILE 26 -2.089 0.056 -5.635
179 1HD1 ILE 26 1HD1 ILE 26 -0.051 -0.363 -6.568
180 2HD1 ILE 26 2HD1 ILE 26 1.618 -0.731 -6.132
181 3HD1 ILE 26 3HD1 ILE 26 0.509 -2.071 -6.494
182 H CYS 27 H CYS 27 -2.323 -4.249 -3.759
183 HA CYS 27 HA CYS 27 -0.187 -5.861 -2.440
184 1HB CYS 27 1HB CYS 27 -2.531 -6.584 -2.329
185 2HB CYS 27 2HB CYS 27 -2.548 -6.808 -4.087
186 H ARG 28 H ARG 28 1.637 -5.619 -3.454
187 HA ARG 28 HA ARG 28 2.024 -4.763 -6.176
188 1HB ARG 28 1HB ARG 28 3.942 -5.922 -4.096
189 2HB ARG 28 2HB ARG 28 4.459 -5.115 -5.562
190 1HG ARG 28 1HG ARG 28 2.780 -3.733 -3.415
191 2HG ARG 28 2HG ARG 28 4.534 -3.773 -3.385
192 1HD ARG 28 1HD ARG 28 2.949 -2.690 -5.735
193 2HD ARG 28 2HD ARG 28 3.496 -1.689 -4.378
194 HE ARG 28 HE ARG 28 5.831 -2.842 -5.113
195 1HH1 ARG 28 1HH1 ARG 28 7.319 -2.193 -6.590
196 2HH1 ARG 28 2HH1 ARG 28 6.827 -1.222 -7.947
197 1HH2 ARG 28 1HH2 ARG 28 3.512 -1.134 -7.108
198 2HH2 ARG 28 2HH2 ARG 28 4.739 -0.644 -8.244
199 H GLY 29 H GLY 29 3.717 -5.985 -7.486
200 1HA GLY 29 1HA GLY 29 3.923 -7.629 -9.136
201 2HA GLY 29 2HA GLY 29 2.397 -8.310 -8.574
202 H ASN 30 H ASN 30 4.881 -8.033 -6.231
203 HA ASN 30 HA ASN 30 5.894 -10.799 -6.523
204 1HB ASN 30 1HB ASN 30 7.476 -10.254 -4.874
205 2HB ASN 30 2HB ASN 30 7.362 -8.829 -5.902
206 2HD2 ASN 30 2HD2 ASN 30 8.322 -9.051 -3.088
207 1HD2 ASN 30 1HD2 ASN 30 7.269 -7.958 -2.196
208 H GLY 31 H GLY 31 3.076 -9.587 -5.178
209 1HA GLY 31 1HA GLY 31 2.626 -12.046 -3.615
210 2HA GLY 31 2HA GLY 31 1.448 -10.801 -4.010
211 H TYR 32 H TYR 32 3.388 -8.702 -2.869
212 HA TYR 32 HA TYR 32 2.545 -8.983 -0.017
213 1HB TYR 32 1HB TYR 32 5.248 -8.270 -1.138
214 2HB TYR 32 2HB TYR 32 4.749 -7.642 0.411
215 HD1 TYR 32 HD1 TYR 32 5.005 -8.861 2.364
216 HD2 TYR 32 HD2 TYR 32 5.352 -10.875 -1.419
217 HE1 TYR 32 HE1 TYR 32 6.060 -10.798 3.514
218 HE2 TYR 32 HE2 TYR 32 6.307 -12.873 -0.264
219 HH TYR 32 HH TYR 32 6.971 -12.891 3.255
220 H CYS 33 H CYS 33 2.310 -6.992 1.121
221 HA CYS 33 HA CYS 33 1.104 -4.892 -0.420
222 1HB CYS 33 1HB CYS 33 1.937 -5.047 2.492
223 2HB CYS 33 2HB CYS 33 0.952 -3.756 1.798
224 H GLY 34 H GLY 34 1.789 -2.833 -0.908
225 1HA GLY 34 1HA GLY 34 4.408 -2.152 -1.542
226 2HA GLY 34 2HA GLY 34 4.212 -1.634 0.143
No H/Q in entry = 226
Start of MODEL 2
1 H SER 1 H SER 1 4.411 0.651 -0.819
2 HA SER 1 HA SER 1 2.165 2.257 -1.176
3 1HB SER 1 1HB SER 1 4.979 2.711 -2.245
4 2HB SER 1 2HB SER 1 3.755 3.964 -1.965
5 HG SER 1 HG SER 1 5.353 3.628 -0.241
6 H GLY 2 H GLY 2 0.812 2.698 -2.829
7 1HA GLY 2 1HA GLY 2 -0.060 1.996 -5.052
8 2HA GLY 2 2HA GLY 2 1.594 2.001 -5.655
9 H SER 3 H SER 3 1.090 3.492 -7.296
10 HA SER 3 HA SER 3 1.624 6.182 -6.759
11 1HB SER 3 1HB SER 3 0.245 5.039 -9.218
12 2HB SER 3 2HB SER 3 1.110 6.584 -9.115
13 HG SER 3 HG SER 3 2.424 4.903 -9.983
14 H ASP 4 H ASP 4 -1.543 4.662 -7.194
15 HA ASP 4 HA ASP 4 -3.017 7.216 -6.883
16 1HB ASP 4 1HB ASP 4 -3.684 5.413 -8.493
17 2HB ASP 4 2HB ASP 4 -4.016 4.353 -7.124
18 H GLY 5 H GLY 5 -1.680 4.897 -4.787
19 1HA GLY 5 1HA GLY 5 -2.304 4.023 -2.689
20 2HA GLY 5 2HA GLY 5 -3.751 5.021 -2.673
21 H GLY 6 H GLY 6 -0.259 5.797 -2.994
22 1HA GLY 6 1HA GLY 6 -0.444 7.642 -0.622
23 2HA GLY 6 2HA GLY 6 0.502 8.003 -2.069
24 H VAL 7 H VAL 7 1.695 8.187 0.281
25 HA VAL 7 HA VAL 7 3.844 6.225 0.344
26 HB VAL 7 HB VAL 7 4.461 7.421 2.527
27 1HG1 VAL 7 1HG1 VAL 7 5.583 7.760 0.376
28 2HG1 VAL 7 2HG1 VAL 7 4.366 8.967 -0.092
29 3HG1 VAL 7 3HG1 VAL 7 5.461 9.281 1.272
30 1HG2 VAL 7 1HG2 VAL 7 2.251 8.587 2.954
31 2HG2 VAL 7 2HG2 VAL 7 3.638 9.675 2.866
32 3HG2 VAL 7 3HG2 VAL 7 2.530 9.557 1.492
33 H CYS 8 H CYS 8 3.173 4.192 0.776
34 HA CYS 8 HA CYS 8 1.693 3.656 3.269
35 1HB CYS 8 1HB CYS 8 1.388 2.305 1.131
36 2HB CYS 8 2HB CYS 8 3.003 1.662 1.421
37 HA PRO 9 HA PRO 9 5.481 3.130 5.764
38 1HB PRO 9 1HB PRO 9 3.533 1.189 7.044
39 2HB PRO 9 2HB PRO 9 4.748 2.239 7.845
40 1HG PRO 9 1HG PRO 9 2.178 3.050 7.701
41 2HG PRO 9 2HG PRO 9 3.493 4.212 7.332
42 1HD PRO 9 1HD PRO 9 1.673 2.769 5.420
43 2HD PRO 9 2HD PRO 9 2.381 4.418 5.301
44 H LYS 10 H LYS 10 4.262 0.805 3.654
45 HA LYS 10 HA LYS 10 4.952 -1.232 2.800
46 1HB LYS 10 1HB LYS 10 7.539 0.280 3.228
47 2HB LYS 10 2HB LYS 10 7.460 -1.249 2.349
48 1HG LYS 10 1HG LYS 10 6.058 -0.358 0.640
49 2HG LYS 10 2HG LYS 10 5.729 1.110 1.556
50 1HD LYS 10 1HD LYS 10 7.307 1.607 -0.212
51 2HD LYS 10 2HD LYS 10 8.093 1.801 1.360
52 1HE LYS 10 1HE LYS 10 9.125 -0.461 1.103
53 2HE LYS 10 2HE LYS 10 8.343 -0.632 -0.475
54 1HZ LYS 10 1HZ LYS 10 9.624 1.304 -1.234
55 2HZ LYS 10 2HZ LYS 10 10.343 1.455 0.227
56 3HZ LYS 10 3HZ LYS 10 10.634 0.142 -0.693
57 H ILE 11 H ILE 11 4.053 -2.230 4.744
58 HA ILE 11 HA ILE 11 5.905 -3.598 6.559
59 HB ILE 11 HB ILE 11 3.877 -4.726 7.385
60 1HG1 ILE 11 1HG1 ILE 11 2.304 -3.051 5.363
61 2HG1 ILE 11 2HG1 ILE 11 2.568 -4.791 5.253
62 1HG2 ILE 11 1HG2 ILE 11 4.669 -2.513 8.250
63 2HG2 ILE 11 2HG2 ILE 11 3.502 -1.704 7.181
64 3HG2 ILE 11 3HG2 ILE 11 2.939 -2.775 8.480
65 1HD1 ILE 11 1HD1 ILE 11 1.404 -5.046 7.490
66 2HD1 ILE 11 2HD1 ILE 11 0.959 -3.328 7.371
67 3HD1 ILE 11 3HD1 ILE 11 0.388 -4.479 6.152
68 H LEU 12 H LEU 12 6.109 -5.828 6.673
69 HA LEU 12 HA LEU 12 6.481 -7.186 4.087
70 1HB LEU 12 1HB LEU 12 7.226 -7.953 6.938
71 2HB LEU 12 2HB LEU 12 7.478 -8.996 5.538
72 HG LEU 12 HG LEU 12 8.910 -7.268 4.470
73 1HD1 LEU 12 1HD1 LEU 12 8.728 -5.903 7.193
74 2HD1 LEU 12 2HD1 LEU 12 9.997 -5.586 5.991
75 3HD1 LEU 12 3HD1 LEU 12 8.327 -5.197 5.604
76 1HD2 LEU 12 1HD2 LEU 12 9.816 -9.198 5.713
77 2HD2 LEU 12 2HD2 LEU 12 10.858 -7.779 5.883
78 3HD2 LEU 12 3HD2 LEU 12 9.781 -8.253 7.218
79 H LYS 13 H LYS 13 3.709 -6.765 5.234
80 HA LYS 13 HA LYS 13 2.535 -9.377 5.731
81 1HB LYS 13 1HB LYS 13 1.591 -7.155 6.432
82 2HB LYS 13 2HB LYS 13 1.181 -6.832 4.738
83 1HG LYS 13 1HG LYS 13 -0.258 -8.871 4.731
84 2HG LYS 13 2HG LYS 13 0.197 -9.184 6.419
85 1HD LYS 13 1HD LYS 13 -0.783 -6.935 7.030
86 2HD LYS 13 2HD LYS 13 -1.329 -6.772 5.345
87 1HE LYS 13 1HE LYS 13 -2.564 -8.962 5.617
88 2HE LYS 13 2HE LYS 13 -2.106 -8.964 7.328
89 1HZ LYS 13 1HZ LYS 13 -3.314 -6.826 7.540
90 2HZ LYS 13 2HZ LYS 13 -3.751 -6.916 5.955
91 3HZ LYS 13 3HZ LYS 13 -4.312 -8.016 7.028
92 H LYS 14 H LYS 14 2.387 -10.958 4.272
93 HA LYS 14 HA LYS 14 2.546 -10.631 1.395
94 1HB LYS 14 1HB LYS 14 1.693 -12.972 3.157
95 2HB LYS 14 2HB LYS 14 1.727 -13.028 1.392
96 1HG LYS 14 1HG LYS 14 4.151 -12.452 1.421
97 2HG LYS 14 2HG LYS 14 4.126 -12.541 3.197
98 1HD LYS 14 1HD LYS 14 3.363 -14.930 3.028
99 2HD LYS 14 2HD LYS 14 3.391 -14.791 1.266
100 1HE LYS 14 1HE LYS 14 5.402 -15.889 1.834
101 2HE LYS 14 2HE LYS 14 5.853 -14.239 1.399
102 1HZ LYS 14 1HZ LYS 14 5.960 -13.736 3.799
103 2HZ LYS 14 2HZ LYS 14 5.563 -15.279 4.173
104 3HZ LYS 14 3HZ LYS 14 6.974 -14.956 3.421
105 H CYS 15 H CYS 15 0.902 -10.827 -0.054
106 HA CYS 15 HA CYS 15 -1.958 -10.883 0.858
107 1HB CYS 15 1HB CYS 15 -2.506 -8.847 -0.370
108 2HB CYS 15 2HB CYS 15 -1.303 -8.539 0.841
109 H ARG 16 H ARG 16 -3.502 -10.836 -0.877
110 HA ARG 16 HA ARG 16 -2.680 -11.969 -3.523
111 1HB ARG 16 1HB ARG 16 -3.587 -13.742 -2.042
112 2HB ARG 16 2HB ARG 16 -5.044 -12.793 -1.787
113 1HG ARG 16 1HG ARG 16 -5.476 -14.606 -3.296
114 2HG ARG 16 2HG ARG 16 -5.691 -13.094 -4.158
115 1HD ARG 16 1HD ARG 16 -3.119 -14.731 -4.288
116 2HD ARG 16 2HD ARG 16 -4.495 -15.023 -5.363
117 HE ARG 16 HE ARG 16 -3.977 -12.287 -5.581
118 1HH1 ARG 16 1HH1 ARG 16 -2.801 -11.330 -7.147
119 2HH1 ARG 16 2HH1 ARG 16 -1.608 -12.239 -8.038
120 1HH2 ARG 16 1HH2 ARG 16 -2.166 -15.182 -6.355
121 2HH2 ARG 16 2HH2 ARG 16 -1.246 -14.374 -7.599
122 H ARG 17 H ARG 17 -4.623 -9.714 -1.725
123 HA ARG 17 HA ARG 17 -5.475 -8.341 -4.225
124 1HB ARG 17 1HB ARG 17 -7.792 -8.066 -3.352
125 2HB ARG 17 2HB ARG 17 -7.386 -9.739 -3.745
126 1HG ARG 17 1HG ARG 17 -7.035 -10.225 -1.329
127 2HG ARG 17 2HG ARG 17 -7.392 -8.542 -0.932
128 1HD ARG 17 1HD ARG 17 -9.354 -9.905 -0.501
129 2HD ARG 17 2HD ARG 17 -9.677 -8.811 -1.845
130 HE ARG 17 HE ARG 17 -9.958 -10.623 -3.254
131 1HH1 ARG 17 1HH1 ARG 17 -10.131 -12.725 -3.875
132 2HH1 ARG 17 2HH1 ARG 17 -9.503 -13.990 -2.858
133 1HH2 ARG 17 1HH2 ARG 17 -8.340 -11.890 -0.413
134 2HH2 ARG 17 2HH2 ARG 17 -8.522 -13.539 -0.948
135 H ASP 18 H ASP 18 -6.353 -6.139 -3.755
136 HA ASP 18 HA ASP 18 -4.438 -4.749 -2.096
137 1HB ASP 18 1HB ASP 18 -6.995 -3.616 -3.279
138 2HB ASP 18 2HB ASP 18 -5.559 -2.719 -2.754
139 H SER 19 H SER 19 -7.597 -5.993 -1.438
140 HA SER 19 HA SER 19 -8.308 -4.414 0.869
141 1HB SER 19 1HB SER 19 -9.130 -7.272 0.236
142 2HB SER 19 2HB SER 19 -9.956 -6.133 1.313
143 HG SER 19 HG SER 19 -10.968 -6.180 -0.725
144 H ASP 20 H ASP 20 -5.987 -6.922 0.452
145 HA ASP 20 HA ASP 20 -5.805 -7.856 3.229
146 1HB ASP 20 1HB ASP 20 -3.914 -7.910 0.865
147 2HB ASP 20 2HB ASP 20 -3.550 -8.733 2.334
148 H CYS 21 H CYS 21 -4.707 -5.000 1.561
149 HA CYS 21 HA CYS 21 -2.398 -4.646 3.375
150 1HB CYS 21 1HB CYS 21 -3.148 -3.379 0.719
151 2HB CYS 21 2HB CYS 21 -1.656 -3.075 1.599
152 HA PRO 22 HA PRO 22 -3.741 -0.872 5.416
153 1HB PRO 22 1HB PRO 22 -1.176 0.327 4.366
154 2HB PRO 22 2HB PRO 22 -1.847 0.390 6.024
155 1HG PRO 22 1HG PRO 22 0.171 -1.315 5.435
156 2HG PRO 22 2HG PRO 22 -1.201 -1.867 6.451
157 1HD PRO 22 1HD PRO 22 -0.721 -2.363 3.512
158 2HD PRO 22 2HD PRO 22 -1.287 -3.490 4.775
159 H GLY 23 H GLY 23 -4.240 1.413 5.012
160 1HA GLY 23 1HA GLY 23 -5.091 3.185 3.817
161 2HA GLY 23 2HA GLY 23 -5.845 1.911 2.854
162 H ALA 24 H ALA 24 -2.595 3.315 3.157
163 HA ALA 24 HA ALA 24 -2.629 4.421 0.447
164 1HB ALA 24 1HB ALA 24 -0.404 4.311 2.521
165 2HB ALA 24 2HB ALA 24 -0.421 5.308 1.049
166 3HB ALA 24 3HB ALA 24 -1.596 5.617 2.333
167 H CYS 25 H CYS 25 -1.662 1.365 1.695
168 HA CYS 25 HA CYS 25 0.243 0.721 -0.454
169 1HB CYS 25 1HB CYS 25 -1.058 -0.848 1.780
170 2HB CYS 25 2HB CYS 25 -0.271 -1.664 0.453
171 H ILE 26 H ILE 26 -0.106 -1.095 -1.763
172 HA ILE 26 HA ILE 26 -2.828 -2.038 -2.483
173 HB ILE 26 HB ILE 26 -2.108 -2.179 -4.858
174 1HG1 ILE 26 1HG1 ILE 26 0.048 -0.131 -4.375
175 2HG1 ILE 26 2HG1 ILE 26 0.433 -1.824 -4.174
176 1HG2 ILE 26 1HG2 ILE 26 -3.590 -0.357 -4.078
177 2HG2 ILE 26 2HG2 ILE 26 -2.176 0.681 -3.803
178 3HG2 ILE 26 3HG2 ILE 26 -2.586 0.149 -5.446
179 1HD1 ILE 26 1HD1 ILE 26 -0.859 -0.816 -6.728
180 2HD1 ILE 26 2HD1 ILE 26 0.887 -0.865 -6.477
181 3HD1 ILE 26 3HD1 ILE 26 -0.034 -2.380 -6.423
182 H CYS 27 H CYS 27 -2.533 -4.191 -3.706
183 HA CYS 27 HA CYS 27 -0.361 -5.776 -2.438
184 1HB CYS 27 1HB CYS 27 -2.678 -6.586 -2.423
185 2HB CYS 27 2HB CYS 27 -2.657 -6.702 -4.190
186 H ARG 28 H ARG 28 1.515 -5.554 -3.402
187 HA ARG 28 HA ARG 28 1.925 -4.797 -6.188
188 1HB ARG 28 1HB ARG 28 3.533 -5.156 -3.692
189 2HB ARG 28 2HB ARG 28 4.369 -5.752 -5.103
190 1HG ARG 28 1HG ARG 28 4.915 -3.432 -4.482
191 2HG ARG 28 2HG ARG 28 4.379 -3.643 -6.153
192 1HD ARG 28 1HD ARG 28 2.108 -2.804 -5.460
193 2HD ARG 28 2HD ARG 28 2.731 -2.553 -3.831
194 HE ARG 28 HE ARG 28 3.584 -0.528 -4.556
195 1HH1 ARG 28 1HH1 ARG 28 4.097 1.075 -5.817
196 2HH1 ARG 28 2HH1 ARG 28 4.236 0.883 -7.558
197 1HH2 ARG 28 1HH2 ARG 28 3.244 -2.409 -7.513
198 2HH2 ARG 28 2HH2 ARG 28 3.729 -1.046 -8.486
199 H GLY 29 H GLY 29 3.455 -6.062 -7.492
200 1HA GLY 29 1HA GLY 29 3.558 -7.806 -9.048
201 2HA GLY 29 2HA GLY 29 2.159 -8.534 -8.263
202 H ASN 30 H ASN 30 4.784 -7.943 -6.180
203 HA ASN 30 HA ASN 30 6.107 -10.558 -6.428
204 1HB ASN 30 1HB ASN 30 7.554 -9.790 -4.707
205 2HB ASN 30 2HB ASN 30 7.309 -8.440 -5.811
206 2HD2 ASN 30 2HD2 ASN 30 8.293 -8.128 -3.156
207 1HD2 ASN 30 1HD2 ASN 30 7.054 -7.244 -2.269
208 H GLY 31 H GLY 31 3.183 -9.641 -5.013
209 1HA GLY 31 1HA GLY 31 3.019 -12.152 -3.443
210 2HA GLY 31 2HA GLY 31 1.697 -11.071 -3.861
211 H TYR 32 H TYR 32 3.489 -8.760 -2.771
212 HA TYR 32 HA TYR 32 2.638 -9.009 0.084
213 1HB TYR 32 1HB TYR 32 5.228 -7.961 -1.051
214 2HB TYR 32 2HB TYR 32 4.704 -7.586 0.568
215 HD1 TYR 32 HD1 TYR 32 5.017 -9.060 2.368
216 HD2 TYR 32 HD2 TYR 32 5.909 -10.348 -1.637
217 HE1 TYR 32 HE1 TYR 32 6.542 -10.807 3.286
218 HE2 TYR 32 HE2 TYR 32 7.330 -12.190 -0.726
219 HH TYR 32 HH TYR 32 8.132 -12.406 2.737
220 H CYS 33 H CYS 33 2.416 -6.914 1.153
221 HA CYS 33 HA CYS 33 1.103 -4.928 -0.520
222 1HB CYS 33 1HB CYS 33 1.912 -4.928 2.417
223 2HB CYS 33 2HB CYS 33 0.851 -3.737 1.664
224 H GLY 34 H GLY 34 1.682 -2.794 -0.921
225 1HA GLY 34 1HA GLY 34 4.357 -2.039 -1.428
226 2HA GLY 34 2HA GLY 34 3.966 -1.484 0.209
No H/Q in entry = 226
Start of MODEL 3
1 H SER 1 H SER 1 4.147 0.703 -0.429
2 HA SER 1 HA SER 1 1.767 2.075 -0.614
3 1HB SER 1 1HB SER 1 4.533 3.101 -1.318
4 2HB SER 1 2HB SER 1 3.104 4.096 -0.974
5 HG SER 1 HG SER 1 4.175 3.908 0.928
6 H GLY 2 H GLY 2 0.328 2.215 -2.317
7 1HA GLY 2 1HA GLY 2 -0.355 1.781 -4.548
8 2HA GLY 2 2HA GLY 2 1.278 2.018 -5.127
9 H SER 3 H SER 3 0.421 4.562 -3.039
10 HA SER 3 HA SER 3 0.126 6.431 -5.323
11 1HB SER 3 1HB SER 3 -2.188 5.866 -4.709
12 2HB SER 3 2HB SER 3 -1.866 6.319 -3.023
13 HG SER 3 HG SER 3 -2.848 7.999 -4.349
14 H ASP 4 H ASP 4 1.311 8.182 -5.040
15 HA ASP 4 HA ASP 4 2.672 8.865 -2.552
16 1HB ASP 4 1HB ASP 4 3.632 10.665 -3.806
17 2HB ASP 4 2HB ASP 4 3.673 9.213 -4.792
18 H GLY 5 H GLY 5 -0.485 9.464 -3.687
19 1HA GLY 5 1HA GLY 5 -2.142 11.007 -3.134
20 2HA GLY 5 2HA GLY 5 -0.955 12.032 -2.334
21 H GLY 6 H GLY 6 -0.489 8.993 -1.103
22 1HA GLY 6 1HA GLY 6 -2.289 8.057 0.630
23 2HA GLY 6 2HA GLY 6 -1.891 9.583 1.432
24 H VAL 7 H VAL 7 -1.427 7.270 2.769
25 HA VAL 7 HA VAL 7 1.511 6.748 2.622
26 HB VAL 7 HB VAL 7 1.653 6.825 5.090
27 1HG1 VAL 7 1HG1 VAL 7 2.391 8.731 3.700
28 2HG1 VAL 7 2HG1 VAL 7 0.787 9.475 3.875
29 3HG1 VAL 7 3HG1 VAL 7 1.819 9.234 5.300
30 1HG2 VAL 7 1HG2 VAL 7 -0.743 6.586 5.699
31 2HG2 VAL 7 2HG2 VAL 7 -0.011 8.019 6.427
32 3HG2 VAL 7 3HG2 VAL 7 -1.075 8.193 5.016
33 H CYS 8 H CYS 8 2.256 4.858 3.492
34 HA CYS 8 HA CYS 8 0.370 2.962 4.684
35 1HB CYS 8 1HB CYS 8 0.304 2.242 2.366
36 2HB CYS 8 2HB CYS 8 2.055 2.268 2.243
37 HA PRO 9 HA PRO 9 3.910 2.470 7.481
38 1HB PRO 9 1HB PRO 9 2.600 -0.254 7.710
39 2HB PRO 9 2HB PRO 9 3.312 0.753 9.012
40 1HG PRO 9 1HG PRO 9 0.648 0.767 8.624
41 2HG PRO 9 2HG PRO 9 1.506 2.328 8.859
42 1HD PRO 9 1HD PRO 9 0.530 1.084 6.288
43 2HD PRO 9 2HD PRO 9 0.505 2.799 6.812
44 H LYS 10 H LYS 10 3.661 0.663 4.603
45 HA LYS 10 HA LYS 10 4.952 -0.838 3.442
46 1HB LYS 10 1HB LYS 10 7.225 0.733 4.719
47 2HB LYS 10 2HB LYS 10 7.330 -0.239 3.246
48 1HG LYS 10 1HG LYS 10 5.730 1.267 2.109
49 2HG LYS 10 2HG LYS 10 5.609 2.233 3.589
50 1HD LYS 10 1HD LYS 10 8.107 2.639 3.466
51 2HD LYS 10 2HD LYS 10 8.098 1.823 1.898
52 1HE LYS 10 1HE LYS 10 8.013 4.180 1.479
53 2HE LYS 10 2HE LYS 10 6.434 3.506 1.068
54 1HZ LYS 10 1HZ LYS 10 5.626 4.310 3.249
55 2HZ LYS 10 2HZ LYS 10 7.098 4.928 3.599
56 3HZ LYS 10 3HZ LYS 10 6.228 5.556 2.373
57 H ILE 11 H ILE 11 4.015 -2.094 5.459
58 HA ILE 11 HA ILE 11 6.043 -3.702 6.881
59 HB ILE 11 HB ILE 11 4.032 -4.988 7.694
60 1HG1 ILE 11 1HG1 ILE 11 2.395 -2.743 6.412
61 2HG1 ILE 11 2HG1 ILE 11 2.474 -4.401 5.813
62 1HG2 ILE 11 1HG2 ILE 11 5.153 -3.198 8.969
63 2HG2 ILE 11 2HG2 ILE 11 4.078 -1.990 8.245
64 3HG2 ILE 11 3HG2 ILE 11 3.427 -3.248 9.319
65 1HD1 ILE 11 1HD1 ILE 11 1.564 -5.186 8.033
66 2HD1 ILE 11 2HD1 ILE 11 1.306 -3.476 8.460
67 3HD1 ILE 11 3HD1 ILE 11 0.460 -4.178 7.074
68 H LEU 12 H LEU 12 6.402 -5.824 6.579
69 HA LEU 12 HA LEU 12 6.232 -6.892 3.842
70 1HB LEU 12 1HB LEU 12 7.551 -7.927 6.386
71 2HB LEU 12 2HB LEU 12 7.503 -8.826 4.871
72 HG LEU 12 HG LEU 12 8.679 -6.963 3.705
73 1HD1 LEU 12 1HD1 LEU 12 9.093 -5.907 6.541
74 2HD1 LEU 12 2HD1 LEU 12 10.066 -5.429 5.134
75 3HD1 LEU 12 3HD1 LEU 12 8.353 -5.040 5.168
76 1HD2 LEU 12 1HD2 LEU 12 9.822 -8.996 4.506
77 2HD2 LEU 12 2HD2 LEU 12 10.883 -7.584 4.611
78 3HD2 LEU 12 3HD2 LEU 12 10.110 -8.224 6.081
79 H LYS 13 H LYS 13 3.728 -6.584 4.665
80 HA LYS 13 HA LYS 13 2.544 -9.113 5.639
81 1HB LYS 13 1HB LYS 13 1.679 -6.861 6.275
82 2HB LYS 13 2HB LYS 13 1.172 -6.593 4.601
83 1HG LYS 13 1HG LYS 13 -0.336 -8.549 4.737
84 2HG LYS 13 2HG LYS 13 0.267 -8.916 6.365
85 1HD LYS 13 1HD LYS 13 -0.551 -6.635 7.104
86 2HD LYS 13 2HD LYS 13 -1.331 -6.454 5.528
87 1HE LYS 13 1HE LYS 13 -1.852 -8.686 7.557
88 2HE LYS 13 2HE LYS 13 -2.857 -7.248 7.349
89 1HZ LYS 13 1HZ LYS 13 -3.296 -7.951 5.069
90 2HZ LYS 13 2HZ LYS 13 -2.419 -9.327 5.273
91 3HZ LYS 13 3HZ LYS 13 -3.793 -9.098 6.131
92 H LYS 14 H LYS 14 2.586 -10.773 4.249
93 HA LYS 14 HA LYS 14 2.478 -10.587 1.381
94 1HB LYS 14 1HB LYS 14 2.198 -12.991 1.392
95 2HB LYS 14 2HB LYS 14 3.497 -12.493 2.472
96 1HG LYS 14 1HG LYS 14 1.952 -12.782 4.432
97 2HG LYS 14 2HG LYS 14 0.694 -13.356 3.319
98 1HD LYS 14 1HD LYS 14 2.165 -15.219 2.609
99 2HD LYS 14 2HD LYS 14 3.434 -14.638 3.710
100 1HE LYS 14 1HE LYS 14 1.894 -14.941 5.638
101 2HE LYS 14 2HE LYS 14 0.636 -15.530 4.542
102 1HZ LYS 14 1HZ LYS 14 3.270 -16.843 4.971
103 2HZ LYS 14 2HZ LYS 14 1.847 -17.369 5.570
104 3HZ LYS 14 3HZ LYS 14 2.107 -17.388 3.960
105 H CYS 15 H CYS 15 0.857 -10.895 0.016
106 HA CYS 15 HA CYS 15 -1.993 -11.010 0.963
107 1HB CYS 15 1HB CYS 15 -2.520 -8.937 -0.263
108 2HB CYS 15 2HB CYS 15 -1.355 -8.675 1.003
109 H ARG 16 H ARG 16 -3.553 -10.897 -0.807
110 HA ARG 16 HA ARG 16 -2.711 -12.004 -3.474
111 1HB ARG 16 1HB ARG 16 -5.033 -12.992 -1.760
112 2HB ARG 16 2HB ARG 16 -4.749 -13.442 -3.446
113 1HG ARG 16 1HG ARG 16 -2.537 -14.411 -2.808
114 2HG ARG 16 2HG ARG 16 -2.898 -14.059 -1.103
115 1HD ARG 16 1HD ARG 16 -4.915 -15.480 -1.229
116 2HD ARG 16 2HD ARG 16 -4.565 -15.832 -2.934
117 HE ARG 16 HE ARG 16 -2.267 -16.514 -1.385
118 1HH1 ARG 16 1HH1 ARG 16 -5.511 -17.743 -1.856
119 2HH1 ARG 16 2HH1 ARG 16 -5.044 -19.374 -1.444
120 1HH2 ARG 16 1HH2 ARG 16 -1.740 -18.593 -0.877
121 2HH2 ARG 16 2HH2 ARG 16 -2.965 -19.832 -0.905
122 H ARG 17 H ARG 17 -4.558 -9.732 -1.731
123 HA ARG 17 HA ARG 17 -5.629 -8.515 -4.225
124 1HB ARG 17 1HB ARG 17 -7.872 -8.219 -3.267
125 2HB ARG 17 2HB ARG 17 -7.474 -9.938 -3.340
126 1HG ARG 17 1HG ARG 17 -6.809 -9.847 -0.934
127 2HG ARG 17 2HG ARG 17 -7.304 -8.159 -0.861
128 1HD ARG 17 1HD ARG 17 -9.050 -9.406 0.103
129 2HD ARG 17 2HD ARG 17 -9.630 -8.911 -1.492
130 HE ARG 17 HE ARG 17 -9.724 -11.127 -2.118
131 1HH1 ARG 17 1HH1 ARG 17 -9.702 -13.318 -1.830
132 2HH1 ARG 17 2HH1 ARG 17 -8.783 -14.028 -0.532
133 1HH2 ARG 17 1HH2 ARG 17 -7.556 -11.068 0.713
134 2HH2 ARG 17 2HH2 ARG 17 -7.649 -12.797 0.861
135 H ASP 18 H ASP 18 -6.373 -6.254 -3.828
136 HA ASP 18 HA ASP 18 -4.408 -4.836 -2.221
137 1HB ASP 18 1HB ASP 18 -6.922 -3.729 -3.519
138 2HB ASP 18 2HB ASP 18 -5.516 -2.811 -2.957
139 H SER 19 H SER 19 -7.613 -6.023 -1.522
140 HA SER 19 HA SER 19 -8.242 -4.278 0.702
141 1HB SER 19 1HB SER 19 -9.233 -7.113 0.280
142 2HB SER 19 2HB SER 19 -10.017 -5.819 1.189
143 HG SER 19 HG SER 19 -10.288 -4.687 -0.798
144 H ASP 20 H ASP 20 -5.996 -6.873 0.390
145 HA ASP 20 HA ASP 20 -5.912 -7.737 3.184
146 1HB ASP 20 1HB ASP 20 -3.987 -7.934 0.859
147 2HB ASP 20 2HB ASP 20 -3.686 -8.728 2.367
148 H CYS 21 H CYS 21 -4.865 -4.866 1.618
149 HA CYS 21 HA CYS 21 -2.536 -4.515 3.431
150 1HB CYS 21 1HB CYS 21 -3.193 -3.261 0.747
151 2HB CYS 21 2HB CYS 21 -1.729 -2.983 1.687
152 HA PRO 22 HA PRO 22 -4.502 -0.985 5.317
153 1HB PRO 22 1HB PRO 22 -2.425 0.152 6.647
154 2HB PRO 22 2HB PRO 22 -3.023 -1.486 7.052
155 1HG PRO 22 1HG PRO 22 -0.678 -0.754 5.271
156 2HG PRO 22 2HG PRO 22 -0.700 -1.915 6.634
157 1HD PRO 22 1HD PRO 22 -1.016 -2.700 4.028
158 2HD PRO 22 2HD PRO 22 -1.873 -3.515 5.372
159 H GLY 23 H GLY 23 -4.622 1.299 5.335
160 1HA GLY 23 1HA GLY 23 -3.026 3.292 4.418
161 2HA GLY 23 2HA GLY 23 -4.780 3.363 4.319
162 H ALA 24 H ALA 24 -2.032 3.736 2.597
163 HA ALA 24 HA ALA 24 -3.413 3.643 -0.019
164 1HB ALA 24 1HB ALA 24 -2.363 5.735 0.815
165 2HB ALA 24 2HB ALA 24 -1.676 5.186 -0.723
166 3HB ALA 24 3HB ALA 24 -0.774 4.930 0.781
167 H CYS 25 H CYS 25 -1.659 1.339 1.573
168 HA CYS 25 HA CYS 25 0.119 0.524 -0.575
169 1HB CYS 25 1HB CYS 25 -0.911 -0.900 1.877
170 2HB CYS 25 2HB CYS 25 -0.162 -1.763 0.567
171 H ILE 26 H ILE 26 -0.094 -1.107 -1.922
172 HA ILE 26 HA ILE 26 -2.761 -2.275 -2.636
173 HB ILE 26 HB ILE 26 -1.897 -2.407 -4.977
174 1HG1 ILE 26 1HG1 ILE 26 0.215 -0.362 -4.233
175 2HG1 ILE 26 2HG1 ILE 26 0.576 -2.077 -4.257
176 1HG2 ILE 26 1HG2 ILE 26 -3.489 -0.661 -4.273
177 2HG2 ILE 26 2HG2 ILE 26 -2.146 0.429 -3.880
178 3HG2 ILE 26 3HG2 ILE 26 -2.429 -0.076 -5.558
179 1HD1 ILE 26 1HD1 ILE 26 -0.499 -0.596 -6.676
180 2HD1 ILE 26 2HD1 ILE 26 1.206 -0.922 -6.352
181 3HD1 ILE 26 3HD1 ILE 26 0.098 -2.286 -6.590
182 H CYS 27 H CYS 27 -2.441 -4.426 -3.729
183 HA CYS 27 HA CYS 27 -0.235 -5.947 -2.442
184 1HB CYS 27 1HB CYS 27 -2.566 -6.779 -2.427
185 2HB CYS 27 2HB CYS 27 -2.493 -6.990 -4.183
186 H ARG 28 H ARG 28 1.600 -5.625 -3.421
187 HA ARG 28 HA ARG 28 1.967 -4.758 -6.158
188 1HB ARG 28 1HB ARG 28 3.947 -5.795 -4.070
189 2HB ARG 28 2HB ARG 28 4.412 -4.959 -5.540
190 1HG ARG 28 1HG ARG 28 2.707 -3.713 -3.333
191 2HG ARG 28 2HG ARG 28 4.457 -3.590 -3.415
192 1HD ARG 28 1HD ARG 28 2.602 -2.623 -5.620
193 2HD ARG 28 2HD ARG 28 3.186 -1.606 -4.309
194 HE ARG 28 HE ARG 28 5.482 -1.925 -5.083
195 1HH1 ARG 28 1HH1 ARG 28 6.879 -1.788 -6.760
196 2HH1 ARG 28 2HH1 ARG 28 6.318 -2.059 -8.386
197 1HH2 ARG 28 1HH2 ARG 28 3.065 -2.672 -7.525
198 2HH2 ARG 28 2HH2 ARG 28 4.239 -2.563 -8.807
199 H GLY 29 H GLY 29 3.726 -5.920 -7.441
200 1HA GLY 29 1HA GLY 29 3.998 -7.571 -9.073
201 2HA GLY 29 2HA GLY 29 2.491 -8.295 -8.514
202 H ASN 30 H ASN 30 4.954 -7.911 -6.166
203 HA ASN 30 HA ASN 30 6.073 -10.636 -6.406
204 1HB ASN 30 1HB ASN 30 7.559 -10.024 -4.679
205 2HB ASN 30 2HB ASN 30 7.444 -8.624 -5.743
206 2HD2 ASN 30 2HD2 ASN 30 8.366 -8.601 -2.984
207 1HD2 ASN 30 1HD2 ASN 30 7.212 -7.592 -2.120
208 H GLY 31 H GLY 31 3.180 -9.494 -5.102
209 1HA GLY 31 1HA GLY 31 2.762 -11.979 -3.561
210 2HA GLY 31 2HA GLY 31 1.559 -10.768 -3.987
211 H TYR 32 H TYR 32 3.410 -8.607 -2.804
212 HA TYR 32 HA TYR 32 2.514 -8.915 0.032
213 1HB TYR 32 1HB TYR 32 5.206 -8.064 -1.024
214 2HB TYR 32 2HB TYR 32 4.666 -7.594 0.570
215 HD1 TYR 32 HD1 TYR 32 4.921 -9.002 2.417
216 HD2 TYR 32 HD2 TYR 32 5.519 -10.574 -1.543
217 HE1 TYR 32 HE1 TYR 32 6.002 -11.015 3.397
218 HE2 TYR 32 HE2 TYR 32 6.533 -12.635 -0.567
219 HH TYR 32 HH TYR 32 6.968 -13.050 2.965
220 H CYS 33 H CYS 33 2.228 -6.918 1.165
221 HA CYS 33 HA CYS 33 0.988 -4.859 -0.389
222 1HB CYS 33 1HB CYS 33 1.849 -4.964 2.520
223 2HB CYS 33 2HB CYS 33 0.828 -3.704 1.829
224 H GLY 34 H GLY 34 1.662 -2.820 -1.003
225 1HA GLY 34 1HA GLY 34 4.263 -2.022 -1.536
226 2HA GLY 34 2HA GLY 34 4.006 -1.511 0.137
No H/Q in entry = 226
Start of MODEL 4
1 H SER 1 H SER 1 4.238 0.783 -0.690
2 HA SER 1 HA SER 1 1.844 2.134 -0.984
3 1HB SER 1 1HB SER 1 4.558 3.023 -2.007
4 2HB SER 1 2HB SER 1 3.156 4.069 -1.714
5 HG SER 1 HG SER 1 4.527 4.104 0.069
6 H GLY 2 H GLY 2 0.436 2.592 -2.601
7 1HA GLY 2 1HA GLY 2 -0.563 1.849 -4.646
8 2HA GLY 2 2HA GLY 2 1.022 1.602 -5.357
9 H SER 3 H SER 3 -0.562 2.699 -6.973
10 HA SER 3 HA SER 3 0.508 5.148 -7.783
11 1HB SER 3 1HB SER 3 -2.155 3.927 -8.595
12 2HB SER 3 2HB SER 3 -1.208 5.111 -9.518
13 HG SER 3 HG SER 3 -0.843 2.964 -10.246
14 H ASP 4 H ASP 4 -1.937 4.761 -5.425
15 HA ASP 4 HA ASP 4 -3.377 7.236 -5.570
16 1HB ASP 4 1HB ASP 4 -4.011 5.335 -4.149
17 2HB ASP 4 2HB ASP 4 -2.522 5.498 -3.220
18 H GLY 5 H GLY 5 -0.099 6.493 -4.518
19 1HA GLY 5 1HA GLY 5 0.650 9.309 -4.518
20 2HA GLY 5 2HA GLY 5 1.706 7.919 -4.303
21 H GLY 6 H GLY 6 -0.759 7.661 -2.024
22 1HA GLY 6 1HA GLY 6 -0.861 7.998 0.270
23 2HA GLY 6 2HA GLY 6 0.232 9.376 0.090
24 H VAL 7 H VAL 7 1.072 8.563 2.144
25 HA VAL 7 HA VAL 7 3.400 6.792 1.772
26 HB VAL 7 HB VAL 7 2.517 8.304 4.266
27 1HG1 VAL 7 1HG1 VAL 7 5.174 6.980 3.521
28 2HG1 VAL 7 2HG1 VAL 7 4.887 7.987 4.955
29 3HG1 VAL 7 3HG1 VAL 7 4.066 6.435 4.800
30 1HG2 VAL 7 1HG2 VAL 7 4.562 9.021 2.119
31 2HG2 VAL 7 2HG2 VAL 7 3.036 9.873 2.442
32 3HG2 VAL 7 3HG2 VAL 7 4.322 9.890 3.651
33 H CYS 8 H CYS 8 2.720 4.647 1.614
34 HA CYS 8 HA CYS 8 1.106 3.523 3.820
35 1HB CYS 8 1HB CYS 8 0.995 2.464 1.527
36 2HB CYS 8 2HB CYS 8 2.689 2.020 1.716
37 HA PRO 9 HA PRO 9 4.745 2.851 6.509
38 1HB PRO 9 1HB PRO 9 2.943 0.534 7.266
39 2HB PRO 9 2HB PRO 9 3.977 1.536 8.336
40 1HG PRO 9 1HG PRO 9 1.347 2.088 8.124
41 2HG PRO 9 2HG PRO 9 2.534 3.432 8.055
42 1HD PRO 9 1HD PRO 9 1.040 2.123 5.789
43 2HD PRO 9 2HD PRO 9 1.497 3.846 6.018
44 H LYS 10 H LYS 10 3.890 0.771 3.964
45 HA LYS 10 HA LYS 10 4.790 -1.095 2.931
46 1HB LYS 10 1HB LYS 10 7.300 0.448 3.665
47 2HB LYS 10 2HB LYS 10 7.237 -0.863 2.483
48 1HG LYS 10 1HG LYS 10 5.689 0.407 1.069
49 2HG LYS 10 2HG LYS 10 5.688 1.738 2.237
50 1HD LYS 10 1HD LYS 10 8.170 1.950 1.958
51 2HD LYS 10 2HD LYS 10 8.103 0.705 0.692
52 1HE LYS 10 1HE LYS 10 6.542 2.141 -0.613
53 2HE LYS 10 2HE LYS 10 6.608 3.364 0.662
54 1HZ LYS 10 1HZ LYS 10 8.993 3.606 0.227
55 2HZ LYS 10 2HZ LYS 10 8.940 2.475 -0.954
56 3HZ LYS 10 3HZ LYS 10 8.149 3.890 -1.140
57 H ILE 11 H ILE 11 3.940 -2.145 5.048
58 HA ILE 11 HA ILE 11 5.954 -3.615 6.579
59 HB ILE 11 HB ILE 11 4.153 -4.662 7.709
60 1HG1 ILE 11 1HG1 ILE 11 2.542 -5.191 6.034
61 2HG1 ILE 11 2HG1 ILE 11 1.789 -4.295 7.331
62 1HG2 ILE 11 1HG2 ILE 11 4.771 -2.399 8.400
63 2HG2 ILE 11 2HG2 ILE 11 3.492 -1.717 7.379
64 3HG2 ILE 11 3HG2 ILE 11 3.071 -2.758 8.750
65 1HD1 ILE 11 1HD1 ILE 11 1.774 -2.247 5.863
66 2HD1 ILE 11 2HD1 ILE 11 2.410 -3.256 4.534
67 3HD1 ILE 11 3HD1 ILE 11 0.835 -3.614 5.236
68 H LEU 12 H LEU 12 6.209 -5.816 6.562
69 HA LEU 12 HA LEU 12 6.167 -7.117 3.928
70 1HB LEU 12 1HB LEU 12 7.189 -8.144 6.598
71 2HB LEU 12 2HB LEU 12 7.457 -8.903 5.026
72 HG LEU 12 HG LEU 12 8.506 -6.157 5.856
73 1HD1 LEU 12 1HD1 LEU 12 9.609 -8.037 7.012
74 2HD1 LEU 12 2HD1 LEU 12 9.937 -8.815 5.449
75 3HD1 LEU 12 3HD1 LEU 12 10.697 -7.258 5.852
76 1HD2 LEU 12 1HD2 LEU 12 8.972 -7.793 3.320
77 2HD2 LEU 12 2HD2 LEU 12 8.152 -6.217 3.427
78 3HD2 LEU 12 3HD2 LEU 12 9.876 -6.333 3.782
79 H LYS 13 H LYS 13 3.566 -6.699 4.889
80 HA LYS 13 HA LYS 13 2.359 -9.283 5.647
81 1HB LYS 13 1HB LYS 13 1.250 -7.178 6.261
82 2HB LYS 13 2HB LYS 13 1.106 -6.727 4.554
83 1HG LYS 13 1HG LYS 13 -0.281 -8.779 4.166
84 2HG LYS 13 2HG LYS 13 -0.177 -9.164 5.888
85 1HD LYS 13 1HD LYS 13 -1.421 -6.655 4.680
86 2HD LYS 13 2HD LYS 13 -2.304 -8.106 5.170
87 1HE LYS 13 1HE LYS 13 -1.433 -7.771 7.519
88 2HE LYS 13 2HE LYS 13 -0.743 -6.228 6.993
89 1HZ LYS 13 1HZ LYS 13 -3.038 -5.573 6.327
90 2HZ LYS 13 2HZ LYS 13 -3.623 -6.960 6.928
91 3HZ LYS 13 3HZ LYS 13 -2.939 -5.872 7.940
92 H LYS 14 H LYS 14 2.468 -10.929 4.252
93 HA LYS 14 HA LYS 14 2.518 -10.649 1.351
94 1HB LYS 14 1HB LYS 14 2.260 -13.050 1.268
95 2HB LYS 14 2HB LYS 14 3.555 -12.591 2.373
96 1HG LYS 14 1HG LYS 14 2.005 -12.972 4.313
97 2HG LYS 14 2HG LYS 14 0.760 -13.519 3.173
98 1HD LYS 14 1HD LYS 14 2.257 -15.337 2.402
99 2HD LYS 14 2HD LYS 14 3.507 -14.790 3.543
100 1HE LYS 14 1HE LYS 14 1.940 -15.174 5.436
101 2HE LYS 14 2HE LYS 14 0.701 -15.724 4.302
102 1HZ LYS 14 1HZ LYS 14 3.333 -17.046 4.718
103 2HZ LYS 14 2HZ LYS 14 1.901 -17.596 5.277
104 3HZ LYS 14 3HZ LYS 14 2.186 -17.556 3.671
105 H CYS 15 H CYS 15 0.867 -10.906 -0.020
106 HA CYS 15 HA CYS 15 -1.966 -10.979 1.008
107 1HB CYS 15 1HB CYS 15 -2.474 -8.919 -0.258
108 2HB CYS 15 2HB CYS 15 -1.296 -8.665 0.997
109 H ARG 16 H ARG 16 -3.597 -10.985 -0.644
110 HA ARG 16 HA ARG 16 -2.869 -12.218 -3.296
111 1HB ARG 16 1HB ARG 16 -5.283 -12.810 -1.534
112 2HB ARG 16 2HB ARG 16 -5.055 -13.428 -3.162
113 1HG ARG 16 1HG ARG 16 -3.281 -14.124 -0.776
114 2HG ARG 16 2HG ARG 16 -4.632 -15.073 -1.374
115 1HD ARG 16 1HD ARG 16 -2.758 -16.137 -2.268
116 2HD ARG 16 2HD ARG 16 -3.436 -15.218 -3.624
117 HE ARG 16 HE ARG 16 -1.487 -13.606 -2.294
118 1HH1 ARG 16 1HH1 ARG 16 0.445 -13.215 -2.975
119 2HH1 ARG 16 2HH1 ARG 16 1.258 -14.277 -4.115
120 1HH2 ARG 16 1HH2 ARG 16 -1.423 -16.446 -4.334
121 2HH2 ARG 16 2HH2 ARG 16 0.196 -16.089 -4.887
122 H ARG 17 H ARG 17 -4.625 -9.727 -1.600
123 HA ARG 17 HA ARG 17 -5.319 -8.468 -4.187
124 1HB ARG 17 1HB ARG 17 -7.663 -8.026 -3.546
125 2HB ARG 17 2HB ARG 17 -7.372 -9.728 -3.832
126 1HG ARG 17 1HG ARG 17 -7.217 -8.661 -1.002
127 2HG ARG 17 2HG ARG 17 -8.796 -8.869 -1.753
128 1HD ARG 17 1HD ARG 17 -8.669 -11.170 -1.827
129 2HD ARG 17 2HD ARG 17 -6.918 -11.197 -1.926
130 HE ARG 17 HE ARG 17 -6.694 -10.770 0.396
131 1HH1 ARG 17 1HH1 ARG 17 -7.276 -10.990 2.403
132 2HH1 ARG 17 2HH1 ARG 17 -8.900 -11.490 2.874
133 1HH2 ARG 17 1HH2 ARG 17 -10.059 -11.455 -0.383
134 2HH2 ARG 17 2HH2 ARG 17 -10.461 -11.715 1.297
135 H ASP 18 H ASP 18 -6.234 -6.225 -3.817
136 HA ASP 18 HA ASP 18 -4.367 -4.794 -2.138
137 1HB ASP 18 1HB ASP 18 -6.906 -3.719 -3.418
138 2HB ASP 18 2HB ASP 18 -5.509 -2.784 -2.858
139 H SER 19 H SER 19 -7.514 -6.063 -1.518
140 HA SER 19 HA SER 19 -8.334 -4.452 0.722
141 1HB SER 19 1HB SER 19 -9.031 -7.363 0.182
142 2HB SER 19 2HB SER 19 -9.956 -6.201 1.141
143 HG SER 19 HG SER 19 -10.311 -4.997 -0.788
144 H ASP 20 H ASP 20 -5.960 -6.939 0.440
145 HA ASP 20 HA ASP 20 -5.804 -7.768 3.249
146 1HB ASP 20 1HB ASP 20 -3.892 -7.848 0.897
147 2HB ASP 20 2HB ASP 20 -3.450 -8.522 2.421
148 H CYS 21 H CYS 21 -4.547 -5.053 1.383
149 HA CYS 21 HA CYS 21 -2.455 -4.481 3.363
150 1HB CYS 21 1HB CYS 21 -3.076 -3.249 0.659
151 2HB CYS 21 2HB CYS 21 -1.625 -2.971 1.624
152 HA PRO 22 HA PRO 22 -4.559 -1.010 5.179
153 1HB PRO 22 1HB PRO 22 -2.534 0.348 6.370
154 2HB PRO 22 2HB PRO 22 -2.967 -1.319 6.859
155 1HG PRO 22 1HG PRO 22 -0.775 -0.455 4.940
156 2HG PRO 22 2HG PRO 22 -0.639 -1.562 6.344
157 1HD PRO 22 1HD PRO 22 -0.999 -2.472 3.788
158 2HD PRO 22 2HD PRO 22 -1.722 -3.303 5.198
159 H GLY 23 H GLY 23 -4.868 1.226 5.117
160 1HA GLY 23 1HA GLY 23 -3.826 3.450 4.359
161 2HA GLY 23 2HA GLY 23 -5.443 3.077 3.798
162 H ALA 24 H ALA 24 -2.150 3.571 2.902
163 HA ALA 24 HA ALA 24 -2.971 4.111 0.117
164 1HB ALA 24 1HB ALA 24 -1.835 5.831 1.463
165 2HB ALA 24 2HB ALA 24 -0.882 5.378 0.038
166 3HB ALA 24 3HB ALA 24 -0.421 4.766 1.641
167 H CYS 25 H CYS 25 -1.661 1.373 1.577
168 HA CYS 25 HA CYS 25 0.200 0.650 -0.567
169 1HB CYS 25 1HB CYS 25 -0.986 -0.861 1.769
170 2HB CYS 25 2HB CYS 25 -0.171 -1.670 0.451
171 H ILE 26 H ILE 26 -0.074 -1.166 -1.819
172 HA ILE 26 HA ILE 26 -2.761 -2.219 -2.558
173 HB ILE 26 HB ILE 26 -1.919 -2.403 -4.912
174 1HG1 ILE 26 1HG1 ILE 26 0.211 -0.369 -4.197
175 2HG1 ILE 26 2HG1 ILE 26 0.552 -2.086 -4.230
176 1HG2 ILE 26 1HG2 ILE 26 -3.509 -0.653 -4.238
177 2HG2 ILE 26 2HG2 ILE 26 -2.171 0.447 -3.864
178 3HG2 ILE 26 3HG2 ILE 26 -2.453 -0.085 -5.535
179 1HD1 ILE 26 1HD1 ILE 26 -0.521 -0.583 -6.639
180 2HD1 ILE 26 2HD1 ILE 26 1.181 -0.944 -6.331
181 3HD1 ILE 26 3HD1 ILE 26 0.043 -2.284 -6.560
182 H CYS 27 H CYS 27 -2.439 -4.385 -3.670
183 HA CYS 27 HA CYS 27 -0.237 -5.915 -2.381
184 1HB CYS 27 1HB CYS 27 -2.557 -6.754 -2.340
185 2HB CYS 27 2HB CYS 27 -2.525 -6.925 -4.102
186 H ARG 28 H ARG 28 1.607 -5.633 -3.378
187 HA ARG 28 HA ARG 28 1.953 -4.727 -6.103
188 1HB ARG 28 1HB ARG 28 3.945 -5.834 -4.062
189 2HB ARG 28 2HB ARG 28 4.399 -4.984 -5.523
190 1HG ARG 28 1HG ARG 28 2.782 -3.754 -3.245
191 2HG ARG 28 2HG ARG 28 4.526 -3.633 -3.409
192 1HD ARG 28 1HD ARG 28 2.530 -2.608 -5.456
193 2HD ARG 28 2HD ARG 28 3.287 -1.621 -4.209
194 HE ARG 28 HE ARG 28 5.484 -2.071 -5.227
195 1HH1 ARG 28 1HH1 ARG 28 6.683 -1.925 -7.049
196 2HH1 ARG 28 2HH1 ARG 28 5.922 -2.085 -8.606
197 1HH2 ARG 28 1HH2 ARG 28 2.760 -2.554 -7.395
198 2HH2 ARG 28 2HH2 ARG 28 3.783 -2.439 -8.801
199 H GLY 29 H GLY 29 3.659 -5.877 -7.438
200 1HA GLY 29 1HA GLY 29 3.897 -7.507 -9.099
201 2HA GLY 29 2HA GLY 29 2.400 -8.237 -8.521
202 H ASN 30 H ASN 30 4.921 -7.885 -6.222
203 HA ASN 30 HA ASN 30 6.016 -10.614 -6.518
204 1HB ASN 30 1HB ASN 30 7.547 -10.036 -4.827
205 2HB ASN 30 2HB ASN 30 7.410 -8.611 -5.854
206 2HD2 ASN 30 2HD2 ASN 30 8.399 -8.663 -3.115
207 1HD2 ASN 30 1HD2 ASN 30 7.271 -7.670 -2.199
208 H GLY 31 H GLY 31 3.158 -9.472 -5.150
209 1HA GLY 31 1HA GLY 31 2.757 -11.974 -3.641
210 2HA GLY 31 2HA GLY 31 1.547 -10.761 -4.040
211 H TYR 32 H TYR 32 3.467 -8.645 -2.828
212 HA TYR 32 HA TYR 32 2.567 -8.967 0.004
213 1HB TYR 32 1HB TYR 32 5.276 -8.192 -1.063
214 2HB TYR 32 2HB TYR 32 4.756 -7.671 0.522
215 HD1 TYR 32 HD1 TYR 32 4.972 -9.042 2.398
216 HD2 TYR 32 HD2 TYR 32 5.489 -10.732 -1.525
217 HE1 TYR 32 HE1 TYR 32 6.028 -11.057 3.417
218 HE2 TYR 32 HE2 TYR 32 6.457 -12.789 -0.514
219 HH TYR 32 HH TYR 32 7.106 -13.834 1.413
220 H CYS 33 H CYS 33 2.384 -6.940 1.170
221 HA CYS 33 HA CYS 33 1.125 -4.885 -0.400
222 1HB CYS 33 1HB CYS 33 1.943 -5.000 2.521
223 2HB CYS 33 2HB CYS 33 0.946 -3.726 1.815
224 H GLY 34 H GLY 34 1.744 -2.817 -0.927
225 1HA GLY 34 1HA GLY 34 4.369 -1.980 -1.418
226 2HA GLY 34 2HA GLY 34 3.999 -1.426 0.225
No H/Q in entry = 226
Start of MODEL 5
1 H SER 1 H SER 1 3.903 0.720 -0.594
2 HA SER 1 HA SER 1 1.551 2.080 -0.750
3 1HB SER 1 1HB SER 1 4.247 3.101 -1.698
4 2HB SER 1 2HB SER 1 2.859 4.085 -1.189
5 HG SER 1 HG SER 1 4.297 3.815 0.533
6 H GLY 2 H GLY 2 0.054 2.431 -2.402
7 1HA GLY 2 1HA GLY 2 -0.642 1.663 -4.621
8 2HA GLY 2 2HA GLY 2 0.909 2.124 -5.272
9 H SER 3 H SER 3 -0.092 4.582 -3.174
10 HA SER 3 HA SER 3 -1.040 6.271 -5.434
11 1HB SER 3 1HB SER 3 -3.065 5.343 -4.371
12 2HB SER 3 2HB SER 3 -2.537 5.975 -2.800
13 HG SER 3 HG SER 3 -4.046 7.334 -4.004
14 H ASP 4 H ASP 4 -0.575 8.384 -5.267
15 HA ASP 4 HA ASP 4 1.319 9.394 -3.261
16 1HB ASP 4 1HB ASP 4 1.407 9.953 -5.696
17 2HB ASP 4 2HB ASP 4 -0.144 10.777 -5.547
18 H GLY 5 H GLY 5 -2.098 9.170 -3.476
19 1HA GLY 5 1HA GLY 5 -3.889 10.224 -2.477
20 2HA GLY 5 2HA GLY 5 -2.870 11.612 -2.118
21 H GLY 6 H GLY 6 -1.230 9.114 -0.750
22 1HA GLY 6 1HA GLY 6 -2.619 8.197 1.502
23 2HA GLY 6 2HA GLY 6 -1.922 9.755 1.966
24 H VAL 7 H VAL 7 -1.207 7.527 3.299
25 HA VAL 7 HA VAL 7 1.541 6.749 2.394
26 HB VAL 7 HB VAL 7 0.710 7.538 5.221
27 1HG1 VAL 7 1HG1 VAL 7 3.411 6.617 4.133
28 2HG1 VAL 7 2HG1 VAL 7 3.154 7.337 5.734
29 3HG1 VAL 7 3HG1 VAL 7 2.413 5.792 5.360
30 1HG2 VAL 7 1HG2 VAL 7 2.583 8.913 3.242
31 2HG2 VAL 7 2HG2 VAL 7 1.017 9.533 3.813
32 3HG2 VAL 7 3HG2 VAL 7 2.359 9.380 4.943
33 H CYS 8 H CYS 8 2.199 4.657 3.041
34 HA CYS 8 HA CYS 8 0.093 2.913 4.242
35 1HB CYS 8 1HB CYS 8 0.360 2.257 1.932
36 2HB CYS 8 2HB CYS 8 2.099 2.179 2.085
37 HA PRO 9 HA PRO 9 3.241 2.112 7.456
38 1HB PRO 9 1HB PRO 9 1.346 -0.229 7.812
39 2HB PRO 9 2HB PRO 9 2.144 0.783 9.055
40 1HG PRO 9 1HG PRO 9 -0.444 1.214 8.398
41 2HG PRO 9 2HG PRO 9 0.667 2.608 8.611
42 1HD PRO 9 1HD PRO 9 -0.253 1.320 6.032
43 2HD PRO 9 2HD PRO 9 -0.090 3.057 6.441
44 H LYS 10 H LYS 10 5.055 1.488 6.416
45 HA LYS 10 HA LYS 10 5.281 -0.749 4.569
46 1HB LYS 10 1HB LYS 10 7.218 1.234 5.794
47 2HB LYS 10 2HB LYS 10 7.795 -0.085 4.786
48 1HG LYS 10 1HG LYS 10 5.588 1.718 3.730
49 2HG LYS 10 2HG LYS 10 7.272 2.261 3.727
50 1HD LYS 10 1HD LYS 10 7.945 0.257 2.447
51 2HD LYS 10 2HD LYS 10 6.254 -0.290 2.398
52 1HE LYS 10 1HE LYS 10 5.588 1.673 1.137
53 2HE LYS 10 2HE LYS 10 7.171 2.424 1.362
54 1HZ LYS 10 1HZ LYS 10 6.729 -0.078 -0.184
55 2HZ LYS 10 2HZ LYS 10 6.971 1.405 -0.841
56 3HZ LYS 10 3HZ LYS 10 8.159 0.685 0.009
57 H ILE 11 H ILE 11 4.671 -2.576 5.659
58 HA ILE 11 HA ILE 11 6.876 -3.829 7.209
59 HB ILE 11 HB ILE 11 5.529 -4.962 8.709
60 1HG1 ILE 11 1HG1 ILE 11 3.630 -5.660 7.452
61 2HG1 ILE 11 2HG1 ILE 11 3.130 -4.909 8.946
62 1HG2 ILE 11 1HG2 ILE 11 6.024 -2.665 9.366
63 2HG2 ILE 11 2HG2 ILE 11 4.460 -2.121 8.728
64 3HG2 ILE 11 3HG2 ILE 11 4.521 -3.252 10.091
65 1HD1 ILE 11 1HD1 ILE 11 2.483 -2.845 7.706
66 2HD1 ILE 11 2HD1 ILE 11 2.941 -3.646 6.180
67 3HD1 ILE 11 3HD1 ILE 11 1.615 -4.286 7.159
68 H LEU 12 H LEU 12 6.856 -6.211 7.124
69 HA LEU 12 HA LEU 12 6.424 -7.166 4.380
70 1HB LEU 12 1HB LEU 12 7.566 -8.505 6.859
71 2HB LEU 12 2HB LEU 12 7.501 -9.249 5.263
72 HG LEU 12 HG LEU 12 9.048 -6.701 5.917
73 1HD1 LEU 12 1HD1 LEU 12 9.987 -8.699 7.017
74 2HD1 LEU 12 2HD1 LEU 12 10.009 -9.557 5.461
75 3HD1 LEU 12 3HD1 LEU 12 11.039 -8.128 5.715
76 1HD2 LEU 12 1HD2 LEU 12 8.981 -8.446 3.411
77 2HD2 LEU 12 2HD2 LEU 12 8.422 -6.761 3.540
78 3HD2 LEU 12 3HD2 LEU 12 10.138 -7.131 3.712
79 H LYS 13 H LYS 13 4.127 -6.837 4.458
80 HA LYS 13 HA LYS 13 2.576 -9.106 5.670
81 1HB LYS 13 1HB LYS 13 1.972 -6.739 6.286
82 2HB LYS 13 2HB LYS 13 1.482 -6.470 4.608
83 1HG LYS 13 1HG LYS 13 -0.169 -8.340 4.830
84 2HG LYS 13 2HG LYS 13 0.379 -8.600 6.499
85 1HD LYS 13 1HD LYS 13 -0.268 -6.156 6.950
86 2HD LYS 13 2HD LYS 13 -1.080 -6.168 5.378
87 1HE LYS 13 1HE LYS 13 -1.642 -8.040 7.733
88 2HE LYS 13 2HE LYS 13 -2.608 -6.627 7.297
89 1HZ LYS 13 1HZ LYS 13 -3.116 -7.688 5.178
90 2HZ LYS 13 2HZ LYS 13 -2.247 -9.024 5.579
91 3HZ LYS 13 3HZ LYS 13 -3.599 -8.643 6.416
92 H LYS 14 H LYS 14 2.317 -10.760 4.298
93 HA LYS 14 HA LYS 14 2.394 -10.542 1.421
94 1HB LYS 14 1HB LYS 14 1.571 -12.793 3.304
95 2HB LYS 14 2HB LYS 14 1.402 -12.902 1.549
96 1HG LYS 14 1HG LYS 14 3.892 -12.209 1.422
97 2HG LYS 14 2HG LYS 14 3.956 -12.572 3.147
98 1HD LYS 14 1HD LYS 14 4.754 -14.470 1.868
99 2HD LYS 14 2HD LYS 14 3.249 -14.902 2.675
100 1HE LYS 14 1HE LYS 14 3.369 -15.790 0.376
101 2HE LYS 14 2HE LYS 14 1.998 -14.702 0.589
102 1HZ LYS 14 1HZ LYS 14 4.575 -13.899 -0.657
103 2HZ LYS 14 2HZ LYS 14 3.234 -14.309 -1.491
104 3HZ LYS 14 3HZ LYS 14 3.223 -12.967 -0.562
105 H CYS 15 H CYS 15 0.796 -10.795 -0.016
106 HA CYS 15 HA CYS 15 -2.081 -10.746 0.836
107 1HB CYS 15 1HB CYS 15 -2.534 -8.750 -0.523
108 2HB CYS 15 2HB CYS 15 -1.370 -8.427 0.734
109 H ARG 16 H ARG 16 -3.604 -10.844 -0.903
110 HA ARG 16 HA ARG 16 -2.724 -11.825 -3.569
111 1HB ARG 16 1HB ARG 16 -4.404 -13.609 -3.611
112 2HB ARG 16 2HB ARG 16 -3.153 -13.862 -2.416
113 1HG ARG 16 1HG ARG 16 -5.269 -14.588 -1.543
114 2HG ARG 16 2HG ARG 16 -4.666 -13.242 -0.589
115 1HD ARG 16 1HD ARG 16 -7.116 -13.169 -0.957
116 2HD ARG 16 2HD ARG 16 -6.302 -11.741 -1.536
117 HE ARG 16 HE ARG 16 -6.628 -12.437 -3.823
118 1HH1 ARG 16 1HH1 ARG 16 -7.937 -13.242 -5.370
119 2HH1 ARG 16 2HH1 ARG 16 -9.111 -14.466 -4.969
120 1HH2 ARG 16 1HH2 ARG 16 -8.295 -14.625 -1.646
121 2HH2 ARG 16 2HH2 ARG 16 -9.316 -15.229 -2.924
122 H ARG 17 H ARG 17 -4.612 -9.718 -1.817
123 HA ARG 17 HA ARG 17 -5.825 -8.594 -4.282
124 1HB ARG 17 1HB ARG 17 -7.488 -10.061 -2.768
125 2HB ARG 17 2HB ARG 17 -7.389 -8.632 -1.715
126 1HG ARG 17 1HG ARG 17 -8.293 -7.225 -3.512
127 2HG ARG 17 2HG ARG 17 -8.397 -8.630 -4.583
128 1HD ARG 17 1HD ARG 17 -10.169 -9.577 -3.355
129 2HD ARG 17 2HD ARG 17 -9.673 -8.802 -1.855
130 HE ARG 17 HE ARG 17 -10.777 -6.852 -2.365
131 1HH1 ARG 17 1HH1 ARG 17 -12.344 -5.657 -3.305
132 2HH1 ARG 17 2HH1 ARG 17 -13.009 -6.117 -4.850
133 1HH2 ARG 17 1HH2 ARG 17 -11.062 -8.925 -5.186
134 2HH2 ARG 17 2HH2 ARG 17 -12.306 -7.925 -5.891
135 H ASP 18 H ASP 18 -6.700 -6.411 -3.637
136 HA ASP 18 HA ASP 18 -4.543 -4.867 -2.286
137 1HB ASP 18 1HB ASP 18 -7.129 -3.850 -3.519
138 2HB ASP 18 2HB ASP 18 -5.749 -2.873 -2.995
139 H SER 19 H SER 19 -7.730 -6.029 -1.507
140 HA SER 19 HA SER 19 -8.376 -4.399 0.755
141 1HB SER 19 1HB SER 19 -9.197 -7.272 0.177
142 2HB SER 19 2HB SER 19 -10.040 -6.115 1.220
143 HG SER 19 HG SER 19 -10.418 -4.823 -0.651
144 H ASP 20 H ASP 20 -6.055 -6.882 0.361
145 HA ASP 20 HA ASP 20 -5.818 -7.799 3.138
146 1HB ASP 20 1HB ASP 20 -4.024 -7.879 0.700
147 2HB ASP 20 2HB ASP 20 -3.546 -8.630 2.183
148 H CYS 21 H CYS 21 -4.881 -4.872 1.552
149 HA CYS 21 HA CYS 21 -2.511 -4.540 3.307
150 1HB CYS 21 1HB CYS 21 -3.235 -3.255 0.663
151 2HB CYS 21 2HB CYS 21 -1.743 -3.004 1.573
152 HA PRO 22 HA PRO 22 -4.357 -1.054 5.358
153 1HB PRO 22 1HB PRO 22 -2.234 -0.053 6.717
154 2HB PRO 22 2HB PRO 22 -2.861 -1.698 7.032
155 1HG PRO 22 1HG PRO 22 -0.523 -0.916 5.259
156 2HG PRO 22 2HG PRO 22 -0.557 -2.154 6.552
157 1HD PRO 22 1HD PRO 22 -0.941 -2.766 3.904
158 2HD PRO 22 2HD PRO 22 -1.771 -3.649 5.221
159 H GLY 23 H GLY 23 -4.218 1.282 5.631
160 1HA GLY 23 1HA GLY 23 -2.566 3.189 4.635
161 2HA GLY 23 2HA GLY 23 -4.303 3.416 4.761
162 H ALA 24 H ALA 24 -1.762 3.655 2.726
163 HA ALA 24 HA ALA 24 -3.457 3.833 0.298
164 1HB ALA 24 1HB ALA 24 -2.206 5.809 1.121
165 2HB ALA 24 2HB ALA 24 -1.718 5.329 -0.513
166 3HB ALA 24 3HB ALA 24 -0.675 4.931 0.865
167 H CYS 25 H CYS 25 -1.772 1.315 1.498
168 HA CYS 25 HA CYS 25 -0.109 0.602 -0.770
169 1HB CYS 25 1HB CYS 25 -1.136 -0.942 1.610
170 2HB CYS 25 2HB CYS 25 -0.396 -1.746 0.257
171 H ILE 26 H ILE 26 -0.341 -1.204 -1.989
172 HA ILE 26 HA ILE 26 -2.999 -2.339 -2.707
173 HB ILE 26 HB ILE 26 -2.184 -2.458 -5.080
174 1HG1 ILE 26 1HG1 ILE 26 -0.129 -0.348 -4.385
175 2HG1 ILE 26 2HG1 ILE 26 0.281 -2.037 -4.342
176 1HG2 ILE 26 1HG2 ILE 26 -3.813 -0.748 -4.380
177 2HG2 ILE 26 2HG2 ILE 26 -2.497 0.378 -3.999
178 3HG2 ILE 26 3HG2 ILE 26 -2.772 -0.144 -5.674
179 1HD1 ILE 26 1HD1 ILE 26 -0.937 -0.904 -6.855
180 2HD1 ILE 26 2HD1 ILE 26 0.776 -0.718 -6.487
181 3HD1 ILE 26 3HD1 ILE 26 0.097 -2.362 -6.621
182 H CYS 27 H CYS 27 -2.555 -4.467 -3.925
183 HA CYS 27 HA CYS 27 -0.313 -5.917 -2.635
184 1HB CYS 27 1HB CYS 27 -2.622 -6.821 -2.813
185 2HB CYS 27 2HB CYS 27 -2.395 -7.006 -4.554
186 H ARG 28 H ARG 28 1.582 -5.573 -3.505
187 HA ARG 28 HA ARG 28 2.072 -4.763 -6.275
188 1HB ARG 28 1HB ARG 28 3.635 -5.150 -3.732
189 2HB ARG 28 2HB ARG 28 4.530 -5.570 -5.167
190 1HG ARG 28 1HG ARG 28 4.867 -3.247 -4.348
191 2HG ARG 28 2HG ARG 28 4.428 -3.399 -6.053
192 1HD ARG 28 1HD ARG 28 2.092 -2.769 -5.493
193 2HD ARG 28 2HD ARG 28 2.527 -2.659 -3.790
194 HE ARG 28 HE ARG 28 3.227 -0.500 -4.203
195 1HH1 ARG 28 1HH1 ARG 28 3.652 1.322 -5.276
196 2HH1 ARG 28 2HH1 ARG 28 4.005 1.281 -6.989
197 1HH2 ARG 28 1HH2 ARG 28 3.434 -2.075 -7.338
198 2HH2 ARG 28 2HH2 ARG 28 3.844 -0.576 -8.125
199 H GLY 29 H GLY 29 3.768 -6.018 -7.477
200 1HA GLY 29 1HA GLY 29 4.012 -7.779 -9.003
201 2HA GLY 29 2HA GLY 29 2.549 -8.499 -8.336
202 H ASN 30 H ASN 30 4.963 -7.901 -6.032
203 HA ASN 30 HA ASN 30 6.323 -10.508 -6.148
204 1HB ASN 30 1HB ASN 30 7.598 -9.707 -4.284
205 2HB ASN 30 2HB ASN 30 7.491 -8.415 -5.477
206 2HD2 ASN 30 2HD2 ASN 30 8.248 -7.831 -2.866
207 1HD2 ASN 30 1HD2 ASN 30 6.930 -6.941 -2.114
208 H GLY 31 H GLY 31 3.287 -9.597 -4.966
209 1HA GLY 31 1HA GLY 31 2.987 -12.106 -3.434
210 2HA GLY 31 2HA GLY 31 1.723 -10.953 -3.846
211 H TYR 32 H TYR 32 3.469 -8.725 -2.696
212 HA TYR 32 HA TYR 32 2.525 -8.959 0.114
213 1HB TYR 32 1HB TYR 32 5.189 -7.944 -0.864
214 2HB TYR 32 2HB TYR 32 4.581 -7.589 0.733
215 HD1 TYR 32 HD1 TYR 32 5.852 -10.315 -1.470
216 HD2 TYR 32 HD2 TYR 32 4.865 -9.090 2.535
217 HE1 TYR 32 HE1 TYR 32 7.133 -12.251 -0.568
218 HE2 TYR 32 HE2 TYR 32 6.192 -11.003 3.450
219 HH TYR 32 HH TYR 32 7.883 -13.323 1.310
220 H CYS 33 H CYS 33 2.274 -6.852 1.135
221 HA CYS 33 HA CYS 33 0.969 -4.938 -0.590
222 1HB CYS 33 1HB CYS 33 1.784 -4.847 2.343
223 2HB CYS 33 2HB CYS 33 0.727 -3.670 1.564
224 H GLY 34 H GLY 34 1.533 -2.859 -1.180
225 1HA GLY 34 1HA GLY 34 4.092 -1.985 -1.792
226 2HA GLY 34 2HA GLY 34 3.877 -1.508 -0.098
No H/Q in entry = 226
Start of MODEL 6
1 H SER 1 H SER 1 4.520 0.591 -1.622
2 HA SER 1 HA SER 1 2.156 2.074 -0.982
3 1HB SER 1 1HB SER 1 3.419 4.028 -1.807
4 2HB SER 1 2HB SER 1 4.332 3.043 -0.656
5 HG SER 1 HG SER 1 5.444 3.740 -2.678
6 H GLY 2 H GLY 2 3.629 1.504 -4.169
7 1HA GLY 2 1HA GLY 2 1.070 1.614 -5.596
8 2HA GLY 2 2HA GLY 2 2.665 1.439 -6.311
9 H SER 3 H SER 3 2.564 4.142 -4.256
10 HA SER 3 HA SER 3 2.737 6.065 -6.456
11 1HB SER 3 1HB SER 3 0.279 5.968 -6.043
12 2HB SER 3 2HB SER 3 0.561 6.281 -4.324
13 HG SER 3 HG SER 3 0.934 8.007 -6.548
14 H ASP 4 H ASP 4 3.833 7.932 -5.822
15 HA ASP 4 HA ASP 4 5.376 7.978 -3.364
16 1HB ASP 4 1HB ASP 4 6.096 8.969 -5.529
17 2HB ASP 4 2HB ASP 4 4.804 10.161 -5.406
18 H GLY 5 H GLY 5 2.185 9.113 -4.204
19 1HA GLY 5 1HA GLY 5 0.790 10.730 -3.173
20 2HA GLY 5 2HA GLY 5 1.939 10.928 -1.858
21 H GLY 6 H GLY 6 1.492 7.624 -2.345
22 1HA GLY 6 1HA GLY 6 -0.004 6.004 -1.486
23 2HA GLY 6 2HA GLY 6 -1.024 7.283 -0.842
24 H VAL 7 H VAL 7 -1.035 7.445 1.299
25 HA VAL 7 HA VAL 7 1.125 7.066 3.155
26 HB VAL 7 HB VAL 7 -1.869 6.846 3.662
27 1HG1 VAL 7 1HG1 VAL 7 0.470 7.322 5.574
28 2HG1 VAL 7 2HG1 VAL 7 -1.251 7.415 6.002
29 3HG1 VAL 7 3HG1 VAL 7 -0.554 5.870 5.522
30 1HG2 VAL 7 1HG2 VAL 7 0.032 9.219 3.921
31 2HG2 VAL 7 2HG2 VAL 7 -1.290 9.059 2.744
32 3HG2 VAL 7 3HG2 VAL 7 -1.659 9.186 4.462
33 H CYS 8 H CYS 8 2.226 5.222 2.838
34 HA CYS 8 HA CYS 8 0.953 2.656 3.620
35 1HB CYS 8 1HB CYS 8 0.831 2.806 1.174
36 2HB CYS 8 2HB CYS 8 2.574 3.089 1.102
37 HA PRO 9 HA PRO 9 4.930 2.853 5.898
38 1HB PRO 9 1HB PRO 9 3.702 0.395 7.120
39 2HB PRO 9 2HB PRO 9 4.542 1.755 7.919
40 1HG PRO 9 1HG PRO 9 1.839 1.588 7.978
41 2HG PRO 9 2HG PRO 9 2.634 3.169 7.677
42 1HD PRO 9 1HD PRO 9 1.435 1.256 5.655
43 2HD PRO 9 2HD PRO 9 1.251 3.035 5.786
44 H LYS 10 H LYS 10 4.023 0.740 3.505
45 HA LYS 10 HA LYS 10 4.895 -1.055 2.353
46 1HB LYS 10 1HB LYS 10 7.494 0.311 3.134
47 2HB LYS 10 2HB LYS 10 7.308 -0.896 1.857
48 1HG LYS 10 1HG LYS 10 5.777 0.600 0.623
49 2HG LYS 10 2HG LYS 10 5.947 1.829 1.893
50 1HD LYS 10 1HD LYS 10 8.390 1.933 1.486
51 2HD LYS 10 2HD LYS 10 8.222 0.731 0.188
52 1HE LYS 10 1HE LYS 10 6.728 2.259 -1.049
53 2HE LYS 10 2HE LYS 10 6.834 3.449 0.258
54 1HZ LYS 10 1HZ LYS 10 9.126 2.529 -1.401
55 2HZ LYS 10 2HZ LYS 10 8.378 3.972 -1.543
56 3HZ LYS 10 3HZ LYS 10 9.223 3.626 -0.193
57 H ILE 11 H ILE 11 3.976 -2.203 4.346
58 HA ILE 11 HA ILE 11 5.855 -3.554 6.094
59 HB ILE 11 HB ILE 11 3.867 -4.697 6.971
60 1HG1 ILE 11 1HG1 ILE 11 2.237 -3.179 4.871
61 2HG1 ILE 11 2HG1 ILE 11 2.574 -4.907 4.832
62 1HG2 ILE 11 1HG2 ILE 11 4.571 -2.367 7.680
63 2HG2 ILE 11 2HG2 ILE 11 3.287 -1.737 6.620
64 3HG2 ILE 11 3HG2 ILE 11 2.883 -2.769 8.004
65 1HD1 ILE 11 1HD1 ILE 11 1.413 -5.136 7.058
66 2HD1 ILE 11 2HD1 ILE 11 0.929 -3.436 6.920
67 3HD1 ILE 11 3HD1 ILE 11 0.372 -4.612 5.717
68 H LEU 12 H LEU 12 5.978 -5.787 6.357
69 HA LEU 12 HA LEU 12 6.347 -7.312 3.845
70 1HB LEU 12 1HB LEU 12 7.085 -8.043 6.698
71 2HB LEU 12 2HB LEU 12 7.539 -8.936 5.245
72 HG LEU 12 HG LEU 12 8.441 -6.096 5.909
73 1HD1 LEU 12 1HD1 LEU 12 9.444 -7.824 7.357
74 2HD1 LEU 12 2HD1 LEU 12 9.954 -8.740 5.920
75 3HD1 LEU 12 3HD1 LEU 12 10.639 -7.133 6.249
76 1HD2 LEU 12 1HD2 LEU 12 9.211 -7.954 3.611
77 2HD2 LEU 12 2HD2 LEU 12 8.355 -6.399 3.475
78 3HD2 LEU 12 3HD2 LEU 12 10.032 -6.431 4.020
79 H LYS 13 H LYS 13 3.609 -6.833 5.172
80 HA LYS 13 HA LYS 13 2.456 -9.451 5.674
81 1HB LYS 13 1HB LYS 13 1.335 -7.375 6.346
82 2HB LYS 13 2HB LYS 13 1.190 -6.875 4.650
83 1HG LYS 13 1HG LYS 13 -0.206 -8.895 4.206
84 2HG LYS 13 2HG LYS 13 -0.115 -9.331 5.916
85 1HD LYS 13 1HD LYS 13 -1.316 -6.762 4.781
86 2HD LYS 13 2HD LYS 13 -2.228 -8.218 5.201
87 1HE LYS 13 1HE LYS 13 -1.404 -8.002 7.570
88 2HE LYS 13 2HE LYS 13 -0.652 -6.462 7.129
89 1HZ LYS 13 1HZ LYS 13 -2.903 -5.685 6.465
90 2HZ LYS 13 2HZ LYS 13 -3.554 -7.085 6.964
91 3HZ LYS 13 3HZ LYS 13 -2.856 -6.088 8.055
92 H LYS 14 H LYS 14 2.393 -11.066 4.256
93 HA LYS 14 HA LYS 14 2.586 -10.779 1.362
94 1HB LYS 14 1HB LYS 14 1.752 -13.128 3.129
95 2HB LYS 14 2HB LYS 14 1.849 -13.184 1.360
96 1HG LYS 14 1HG LYS 14 4.241 -12.657 1.426
97 2HG LYS 14 2HG LYS 14 4.197 -12.574 3.203
98 1HD LYS 14 1HD LYS 14 3.489 -14.949 3.296
99 2HD LYS 14 2HD LYS 14 3.522 -15.032 1.520
100 1HE LYS 14 1HE LYS 14 5.939 -14.474 1.540
101 2HE LYS 14 2HE LYS 14 5.910 -14.383 3.305
102 1HZ LYS 14 1HZ LYS 14 5.323 -16.828 1.717
103 2HZ LYS 14 2HZ LYS 14 6.704 -16.546 2.541
104 3HZ LYS 14 3HZ LYS 14 5.301 -16.745 3.349
105 H CYS 15 H CYS 15 0.960 -10.859 -0.065
106 HA CYS 15 HA CYS 15 -1.904 -10.953 0.840
107 1HB CYS 15 1HB CYS 15 -2.415 -8.821 -0.239
108 2HB CYS 15 2HB CYS 15 -1.203 -8.630 0.992
109 H ARG 16 H ARG 16 -3.446 -10.782 -0.881
110 HA ARG 16 HA ARG 16 -2.636 -11.676 -3.620
111 1HB ARG 16 1HB ARG 16 -3.358 -13.623 -2.178
112 2HB ARG 16 2HB ARG 16 -4.958 -12.883 -2.049
113 1HG ARG 16 1HG ARG 16 -5.285 -13.111 -4.479
114 2HG ARG 16 2HG ARG 16 -3.610 -13.675 -4.675
115 1HD ARG 16 1HD ARG 16 -4.122 -15.648 -3.264
116 2HD ARG 16 2HD ARG 16 -5.797 -15.082 -3.084
117 HE ARG 16 HE ARG 16 -5.250 -15.242 -5.862
118 1HH1 ARG 16 1HH1 ARG 16 -5.884 -16.917 -7.151
119 2HH1 ARG 16 2HH1 ARG 16 -6.241 -18.469 -6.444
120 1HH2 ARG 16 1HH2 ARG 16 -5.570 -17.515 -3.221
121 2HH2 ARG 16 2HH2 ARG 16 -6.069 -18.809 -4.281
122 H ARG 17 H ARG 17 -4.523 -9.659 -1.611
123 HA ARG 17 HA ARG 17 -6.011 -8.447 -3.933
124 1HB ARG 17 1HB ARG 17 -6.939 -8.499 -1.037
125 2HB ARG 17 2HB ARG 17 -7.870 -8.023 -2.451
126 1HG ARG 17 1HG ARG 17 -7.967 -10.372 -3.201
127 2HG ARG 17 2HG ARG 17 -6.976 -10.872 -1.812
128 1HD ARG 17 1HD ARG 17 -9.689 -9.524 -1.592
129 2HD ARG 17 2HD ARG 17 -9.399 -11.267 -1.445
130 HE ARG 17 HE ARG 17 -7.652 -10.131 0.418
131 1HH1 ARG 17 1HH1 ARG 17 -7.919 -9.759 2.390
132 2HH1 ARG 17 2HH1 ARG 17 -9.510 -9.598 3.153
133 1HH2 ARG 17 1HH2 ARG 17 -11.147 -10.049 0.118
134 2HH2 ARG 17 2HH2 ARG 17 -11.333 -9.749 1.831
135 H ASP 18 H ASP 18 -6.205 -6.149 -3.841
136 HA ASP 18 HA ASP 18 -4.228 -4.654 -2.322
137 1HB ASP 18 1HB ASP 18 -6.781 -3.645 -3.630
138 2HB ASP 18 2HB ASP 18 -5.412 -2.662 -3.091
139 H SER 19 H SER 19 -7.428 -5.789 -1.588
140 HA SER 19 HA SER 19 -8.129 -4.120 0.637
141 1HB SER 19 1HB SER 19 -8.964 -6.989 0.053
142 2HB SER 19 2HB SER 19 -9.820 -5.821 1.071
143 HG SER 19 HG SER 19 -10.163 -4.541 -0.813
144 H ASP 20 H ASP 20 -5.918 -6.807 0.348
145 HA ASP 20 HA ASP 20 -5.868 -7.647 3.134
146 1HB ASP 20 1HB ASP 20 -3.832 -7.766 0.896
147 2HB ASP 20 2HB ASP 20 -3.595 -8.593 2.400
148 H CYS 21 H CYS 21 -4.495 -4.915 1.451
149 HA CYS 21 HA CYS 21 -2.401 -4.492 3.492
150 1HB CYS 21 1HB CYS 21 -2.868 -3.216 0.780
151 2HB CYS 21 2HB CYS 21 -1.441 -3.004 1.799
152 HA PRO 22 HA PRO 22 -4.462 -1.105 5.401
153 1HB PRO 22 1HB PRO 22 -2.453 0.202 6.681
154 2HB PRO 22 2HB PRO 22 -2.843 -1.505 7.038
155 1HG PRO 22 1HG PRO 22 -0.709 -0.449 5.149
156 2HG PRO 22 2HG PRO 22 -0.508 -1.622 6.487
157 1HD PRO 22 1HD PRO 22 -0.886 -2.441 3.914
158 2HD PRO 22 2HD PRO 22 -1.610 -3.328 5.287
159 H GLY 23 H GLY 23 -4.509 1.262 5.736
160 1HA GLY 23 1HA GLY 23 -3.135 3.320 4.639
161 2HA GLY 23 2HA GLY 23 -4.868 3.390 4.932
162 H ALA 24 H ALA 24 -2.433 3.573 2.628
163 HA ALA 24 HA ALA 24 -4.314 3.422 0.304
164 1HB ALA 24 1HB ALA 24 -3.659 5.733 1.006
165 2HB ALA 24 2HB ALA 24 -3.120 5.316 -0.634
166 3HB ALA 24 3HB ALA 24 -1.960 5.287 0.703
167 H CYS 25 H CYS 25 -2.172 1.429 1.533
168 HA CYS 25 HA CYS 25 -0.187 1.004 -0.498
169 1HB CYS 25 1HB CYS 25 -1.543 -0.936 1.393
170 2HB CYS 25 2HB CYS 25 -0.071 -1.266 0.498
171 H ILE 26 H ILE 26 -0.130 -1.000 -1.721
172 HA ILE 26 HA ILE 26 -2.667 -2.092 -2.847
173 HB ILE 26 HB ILE 26 -1.592 -2.243 -5.062
174 1HG1 ILE 26 1HG1 ILE 26 0.518 -0.240 -4.232
175 2HG1 ILE 26 2HG1 ILE 26 0.838 -1.959 -4.066
176 1HG2 ILE 26 1HG2 ILE 26 -3.134 -0.374 -4.517
177 2HG2 ILE 26 2HG2 ILE 26 -1.740 0.639 -4.084
178 3HG2 ILE 26 3HG2 ILE 26 -1.947 0.069 -5.750
179 1HD1 ILE 26 1HD1 ILE 26 0.003 -0.700 -6.705
180 2HD1 ILE 26 2HD1 ILE 26 1.669 -1.017 -6.211
181 3HD1 ILE 26 3HD1 ILE 26 0.544 -2.377 -6.412
182 H CYS 27 H CYS 27 -2.227 -4.215 -3.926
183 HA CYS 27 HA CYS 27 -0.119 -5.773 -2.493
184 1HB CYS 27 1HB CYS 27 -2.457 -6.554 -2.427
185 2HB CYS 27 2HB CYS 27 -2.427 -6.782 -4.182
186 H ARG 28 H ARG 28 1.755 -5.752 -3.481
187 HA ARG 28 HA ARG 28 2.184 -4.997 -6.256
188 1HB ARG 28 1HB ARG 28 4.045 -6.120 -4.105
189 2HB ARG 28 2HB ARG 28 4.597 -5.454 -5.631
190 1HG ARG 28 1HG ARG 28 3.108 -3.894 -3.467
191 2HG ARG 28 2HG ARG 28 4.853 -3.912 -3.684
192 1HD ARG 28 1HD ARG 28 2.854 -2.936 -5.751
193 2HD ARG 28 2HD ARG 28 3.755 -1.896 -4.650
194 HE ARG 28 HE ARG 28 5.861 -2.821 -5.718
195 1HH1 ARG 28 1HH1 ARG 28 6.940 -2.783 -7.619
196 2HH1 ARG 28 2HH1 ARG 28 6.060 -2.682 -9.118
197 1HH2 ARG 28 1HH2 ARG 28 2.954 -2.616 -7.685
198 2HH2 ARG 28 2HH2 ARG 28 3.881 -2.606 -9.159
199 H GLY 29 H GLY 29 3.671 -6.317 -7.578
200 1HA GLY 29 1HA GLY 29 3.734 -8.057 -9.139
201 2HA GLY 29 2HA GLY 29 2.272 -8.710 -8.403
202 H ASN 30 H ASN 30 4.944 -8.266 -6.301
203 HA ASN 30 HA ASN 30 5.989 -11.019 -6.495
204 1HB ASN 30 1HB ASN 30 7.599 -10.364 -4.899
205 2HB ASN 30 2HB ASN 30 7.435 -9.006 -6.010
206 2HD2 ASN 30 2HD2 ASN 30 8.551 -8.869 -3.335
207 1HD2 ASN 30 1HD2 ASN 30 7.467 -7.820 -2.429
208 H GLY 31 H GLY 31 3.210 -9.772 -5.069
209 1HA GLY 31 1HA GLY 31 2.844 -12.201 -3.431
210 2HA GLY 31 2HA GLY 31 1.628 -10.999 -3.846
211 H TYR 32 H TYR 32 3.435 -8.775 -2.830
212 HA TYR 32 HA TYR 32 2.734 -9.002 0.069
213 1HB TYR 32 1HB TYR 32 5.309 -8.067 -1.192
214 2HB TYR 32 2HB TYR 32 4.869 -7.622 0.437
215 HD1 TYR 32 HD1 TYR 32 5.034 -9.140 2.266
216 HD2 TYR 32 HD2 TYR 32 5.991 -10.425 -1.724
217 HE1 TYR 32 HE1 TYR 32 6.487 -10.934 3.209
218 HE2 TYR 32 HE2 TYR 32 7.351 -12.301 -0.792
219 HH TYR 32 HH TYR 32 7.959 -12.633 2.717
220 H CYS 33 H CYS 33 2.512 -6.916 1.139
221 HA CYS 33 HA CYS 33 1.155 -4.939 -0.446
222 1HB CYS 33 1HB CYS 33 2.208 -4.866 2.398
223 2HB CYS 33 2HB CYS 33 1.144 -3.646 1.695
224 H GLY 34 H GLY 34 1.687 -2.723 -0.857
225 1HA GLY 34 1HA GLY 34 4.176 -2.077 -1.933
226 2HA GLY 34 2HA GLY 34 4.259 -1.545 -0.246
No H/Q in entry = 226
Start of MODEL 7
1 H SER 1 H SER 1 4.338 0.741 -0.291
2 HA SER 1 HA SER 1 2.007 2.187 -0.587
3 1HB SER 1 1HB SER 1 4.783 2.986 -1.529
4 2HB SER 1 2HB SER 1 3.426 4.085 -1.211
5 HG SER 1 HG SER 1 4.736 3.984 0.608
6 H GLY 2 H GLY 2 0.593 2.583 -2.213
7 1HA GLY 2 1HA GLY 2 -0.117 1.984 -4.515
8 2HA GLY 2 2HA GLY 2 1.495 2.334 -5.081
9 H SER 3 H SER 3 0.194 4.598 -2.748
10 HA SER 3 HA SER 3 0.333 6.721 -4.752
11 1HB SER 3 1HB SER 3 -1.889 7.601 -4.444
12 2HB SER 3 2HB SER 3 -2.025 5.928 -4.981
13 HG SER 3 HG SER 3 -2.465 5.311 -2.853
14 H ASP 4 H ASP 4 -0.164 8.893 -3.751
15 HA ASP 4 HA ASP 4 1.067 9.225 -1.098
16 1HB ASP 4 1HB ASP 4 1.129 11.548 -1.663
17 2HB ASP 4 2HB ASP 4 1.702 10.632 -3.048
18 H GLY 5 H GLY 5 -2.003 8.426 -1.974
19 1HA GLY 5 1HA GLY 5 -4.152 8.821 -1.290
20 2HA GLY 5 2HA GLY 5 -3.665 10.428 -0.775
21 H GLY 6 H GLY 6 -1.681 8.577 1.002
22 1HA GLY 6 1HA GLY 6 -3.370 7.290 2.959
23 2HA GLY 6 2HA GLY 6 -2.780 8.855 3.541
24 H VAL 7 H VAL 7 -2.069 6.598 4.893
25 HA VAL 7 HA VAL 7 0.869 6.489 4.540
26 HB VAL 7 HB VAL 7 0.885 5.405 6.747
27 1HG1 VAL 7 1HG1 VAL 7 1.071 7.860 6.536
28 2HG1 VAL 7 2HG1 VAL 7 -0.689 8.012 6.735
29 3HG1 VAL 7 3HG1 VAL 7 0.307 7.370 8.057
30 1HG2 VAL 7 1HG2 VAL 7 -1.352 4.321 6.754
31 2HG2 VAL 7 2HG2 VAL 7 -1.094 5.338 8.174
32 3HG2 VAL 7 3HG2 VAL 7 -2.123 5.920 6.855
33 H CYS 8 H CYS 8 2.007 4.601 4.557
34 HA CYS 8 HA CYS 8 0.724 1.985 4.485
35 1HB CYS 8 1HB CYS 8 0.675 2.535 2.104
36 2HB CYS 8 2HB CYS 8 2.398 2.919 2.121
37 HA PRO 9 HA PRO 9 4.436 1.819 6.973
38 1HB PRO 9 1HB PRO 9 4.232 -0.659 8.093
39 2HB PRO 9 2HB PRO 9 3.110 0.679 8.470
40 1HG PRO 9 1HG PRO 9 2.700 -1.552 6.446
41 2HG PRO 9 2HG PRO 9 1.590 -1.034 7.756
42 1HD PRO 9 1HD PRO 9 1.319 -0.137 5.217
43 2HD PRO 9 2HD PRO 9 1.022 0.951 6.605
44 H LYS 10 H LYS 10 4.145 -0.100 4.185
45 HA LYS 10 HA LYS 10 5.531 -1.477 2.935
46 1HB LYS 10 1HB LYS 10 7.547 0.595 3.868
47 2HB LYS 10 2HB LYS 10 7.769 -0.525 2.521
48 1HG LYS 10 1HG LYS 10 5.841 0.484 1.333
49 2HG LYS 10 2HG LYS 10 5.595 1.599 2.683
50 1HD LYS 10 1HD LYS 10 6.798 2.790 0.988
51 2HD LYS 10 2HD LYS 10 7.907 2.506 2.331
52 1HE LYS 10 1HE LYS 10 8.893 0.581 1.088
53 2HE LYS 10 2HE LYS 10 7.752 0.852 -0.237
54 1HZ LYS 10 1HZ LYS 10 8.768 3.046 -0.567
55 2HZ LYS 10 2HZ LYS 10 9.819 2.793 0.659
56 3HZ LYS 10 3HZ LYS 10 9.905 1.882 -0.690
57 H ILE 11 H ILE 11 5.084 -3.064 4.712
58 HA ILE 11 HA ILE 11 7.656 -4.311 5.574
59 HB ILE 11 HB ILE 11 6.346 -5.281 7.553
60 1HG1 ILE 11 1HG1 ILE 11 4.644 -3.818 8.560
61 2HG1 ILE 11 2HG1 ILE 11 4.564 -2.846 7.098
62 1HG2 ILE 11 1HG2 ILE 11 8.185 -3.654 7.710
63 2HG2 ILE 11 2HG2 ILE 11 7.028 -2.319 7.528
64 3HG2 ILE 11 3HG2 ILE 11 6.955 -3.377 8.950
65 1HD1 ILE 11 1HD1 ILE 11 3.860 -5.807 7.272
66 2HD1 ILE 11 2HD1 ILE 11 2.685 -4.477 7.336
67 3HD1 ILE 11 3HD1 ILE 11 3.615 -4.747 5.856
68 H LEU 12 H LEU 12 7.361 -6.661 6.113
69 HA LEU 12 HA LEU 12 6.748 -7.921 3.598
70 1HB LEU 12 1HB LEU 12 7.790 -9.061 6.217
71 2HB LEU 12 2HB LEU 12 7.789 -9.909 4.672
72 HG LEU 12 HG LEU 12 9.362 -7.363 5.250
73 1HD1 LEU 12 1HD1 LEU 12 10.214 -9.348 6.441
74 2HD1 LEU 12 2HD1 LEU 12 10.265 -10.251 4.909
75 3HD1 LEU 12 3HD1 LEU 12 11.317 -8.838 5.153
76 1HD2 LEU 12 1HD2 LEU 12 9.309 -9.183 2.798
77 2HD2 LEU 12 2HD2 LEU 12 8.795 -7.481 2.863
78 3HD2 LEU 12 3HD2 LEU 12 10.495 -7.892 3.091
79 H LYS 13 H LYS 13 4.333 -7.074 4.741
80 HA LYS 13 HA LYS 13 2.743 -9.400 5.600
81 1HB LYS 13 1HB LYS 13 2.240 -7.029 6.215
82 2HB LYS 13 2HB LYS 13 1.811 -6.696 4.532
83 1HG LYS 13 1HG LYS 13 0.010 -8.438 4.707
84 2HG LYS 13 2HG LYS 13 0.514 -8.745 6.383
85 1HD LYS 13 1HD LYS 13 0.116 -6.185 6.747
86 2HD LYS 13 2HD LYS 13 -0.795 -6.248 5.234
87 1HE LYS 13 1HE LYS 13 -1.295 -7.915 7.744
88 2HE LYS 13 2HE LYS 13 -2.208 -6.482 7.270
89 1HZ LYS 13 1HZ LYS 13 -2.935 -7.658 5.275
90 2HZ LYS 13 2HZ LYS 13 -2.105 -9.010 5.706
91 3HZ LYS 13 3HZ LYS 13 -3.369 -8.499 6.609
92 H LYS 14 H LYS 14 2.636 -11.045 4.164
93 HA LYS 14 HA LYS 14 2.500 -10.838 1.285
94 1HB LYS 14 1HB LYS 14 1.625 -13.036 3.210
95 2HB LYS 14 2HB LYS 14 1.522 -13.157 1.448
96 1HG LYS 14 1HG LYS 14 3.959 -12.825 1.251
97 2HG LYS 14 2HG LYS 14 4.093 -12.753 3.025
98 1HD LYS 14 1HD LYS 14 3.220 -15.063 3.197
99 2HD LYS 14 2HD LYS 14 2.962 -15.109 1.450
100 1HE LYS 14 1HE LYS 14 4.958 -16.330 1.890
101 2HE LYS 14 2HE LYS 14 5.408 -14.830 1.075
102 1HZ LYS 14 1HZ LYS 14 5.592 -15.276 4.012
103 2HZ LYS 14 2HZ LYS 14 6.852 -15.336 2.974
104 3HZ LYS 14 3HZ LYS 14 6.084 -13.929 3.212
105 H CYS 15 H CYS 15 0.835 -10.813 -0.027
106 HA CYS 15 HA CYS 15 -1.991 -10.709 1.027
107 1HB CYS 15 1HB CYS 15 -2.436 -8.677 -0.271
108 2HB CYS 15 2HB CYS 15 -1.163 -8.430 0.897
109 H ARG 16 H ARG 16 -3.657 -10.823 -0.522
110 HA ARG 16 HA ARG 16 -3.094 -12.351 -3.063
111 1HB ARG 16 1HB ARG 16 -5.590 -12.257 -1.336
112 2HB ARG 16 2HB ARG 16 -5.309 -13.345 -2.681
113 1HG ARG 16 1HG ARG 16 -3.811 -14.701 -1.480
114 2HG ARG 16 2HG ARG 16 -3.471 -13.481 -0.254
115 1HD ARG 16 1HD ARG 16 -6.157 -14.847 -0.591
116 2HD ARG 16 2HD ARG 16 -4.911 -15.296 0.590
117 HE ARG 16 HE ARG 16 -5.488 -12.496 0.886
118 1HH1 ARG 16 1HH1 ARG 16 -6.755 -11.681 2.454
119 2HH1 ARG 16 2HH1 ARG 16 -7.815 -12.735 3.370
120 1HH2 ARG 16 1HH2 ARG 16 -7.019 -15.568 1.601
121 2HH2 ARG 16 2HH2 ARG 16 -7.985 -14.878 2.882
122 H ARG 17 H ARG 17 -4.392 -9.486 -1.805
123 HA ARG 17 HA ARG 17 -5.589 -8.399 -4.262
124 1HB ARG 17 1HB ARG 17 -7.819 -8.063 -3.142
125 2HB ARG 17 2HB ARG 17 -7.463 -9.771 -3.416
126 1HG ARG 17 1HG ARG 17 -6.735 -10.019 -1.060
127 2HG ARG 17 2HG ARG 17 -7.036 -8.302 -0.779
128 1HD ARG 17 1HD ARG 17 -9.451 -8.689 -1.200
129 2HD ARG 17 2HD ARG 17 -9.111 -10.429 -1.385
130 HE ARG 17 HE ARG 17 -7.864 -9.826 0.990
131 1HH1 ARG 17 1HH1 ARG 17 -11.225 -9.335 0.136
132 2HH1 ARG 17 2HH1 ARG 17 -11.685 -9.258 1.818
133 1HH2 ARG 17 1HH2 ARG 17 -8.429 -9.691 2.925
134 2HH2 ARG 17 2HH2 ARG 17 -10.107 -9.487 3.420
135 H ASP 18 H ASP 18 -6.255 -6.080 -3.848
136 HA ASP 18 HA ASP 18 -4.239 -4.754 -2.240
137 1HB ASP 18 1HB ASP 18 -6.751 -3.551 -3.452
138 2HB ASP 18 2HB ASP 18 -5.317 -2.679 -2.885
139 H SER 19 H SER 19 -7.480 -5.778 -1.537
140 HA SER 19 HA SER 19 -8.006 -4.114 0.770
141 1HB SER 19 1HB SER 19 -9.204 -6.816 0.072
142 2HB SER 19 2HB SER 19 -9.875 -5.613 1.187
143 HG SER 19 HG SER 19 -10.866 -5.474 -0.868
144 H ASP 20 H ASP 20 -5.948 -6.792 0.378
145 HA ASP 20 HA ASP 20 -5.915 -7.707 3.195
146 1HB ASP 20 1HB ASP 20 -4.206 -8.212 0.757
147 2HB ASP 20 2HB ASP 20 -3.665 -8.754 2.313
148 H CYS 21 H CYS 21 -4.804 -4.890 1.652
149 HA CYS 21 HA CYS 21 -2.558 -4.523 3.575
150 1HB CYS 21 1HB CYS 21 -2.944 -3.314 0.823
151 2HB CYS 21 2HB CYS 21 -1.524 -3.165 1.868
152 HA PRO 22 HA PRO 22 -4.806 -1.061 5.176
153 1HB PRO 22 1HB PRO 22 -2.895 0.301 6.562
154 2HB PRO 22 2HB PRO 22 -3.394 -1.362 6.995
155 1HG PRO 22 1HG PRO 22 -1.023 -0.516 5.306
156 2HG PRO 22 2HG PRO 22 -1.022 -1.622 6.716
157 1HD PRO 22 1HD PRO 22 -1.136 -2.565 4.161
158 2HD PRO 22 2HD PRO 22 -2.047 -3.349 5.485
159 H GLY 23 H GLY 23 -4.962 1.267 5.301
160 1HA GLY 23 1HA GLY 23 -3.622 3.380 4.482
161 2HA GLY 23 2HA GLY 23 -5.352 3.277 4.215
162 H ALA 24 H ALA 24 -2.327 3.623 2.784
163 HA ALA 24 HA ALA 24 -3.492 3.799 0.041
164 1HB ALA 24 1HB ALA 24 -2.688 5.869 1.047
165 2HB ALA 24 2HB ALA 24 -1.703 5.432 -0.354
166 3HB ALA 24 3HB ALA 24 -1.070 5.152 1.283
167 H CYS 25 H CYS 25 -2.003 1.390 1.576
168 HA CYS 25 HA CYS 25 0.138 0.730 -0.266
169 1HB CYS 25 1HB CYS 25 -1.593 -1.084 1.425
170 2HB CYS 25 2HB CYS 25 -0.058 -1.499 0.669
171 H ILE 26 H ILE 26 0.022 -1.076 -1.647
172 HA ILE 26 HA ILE 26 -2.569 -2.019 -2.785
173 HB ILE 26 HB ILE 26 -1.411 -2.196 -4.999
174 1HG1 ILE 26 1HG1 ILE 26 0.651 -0.204 -3.996
175 2HG1 ILE 26 2HG1 ILE 26 0.962 -1.926 -3.946
176 1HG2 ILE 26 1HG2 ILE 26 -2.985 -0.378 -4.536
177 2HG2 ILE 26 2HG2 ILE 26 -1.669 0.618 -3.881
178 3HG2 ILE 26 3HG2 ILE 26 -1.687 0.185 -5.601
179 1HD1 ILE 26 1HD1 ILE 26 0.294 -0.392 -6.486
180 2HD1 ILE 26 2HD1 ILE 26 1.904 -0.893 -5.963
181 3HD1 ILE 26 3HD1 ILE 26 0.697 -2.136 -6.361
182 H CYS 27 H CYS 27 -2.274 -4.151 -3.823
183 HA CYS 27 HA CYS 27 -0.201 -5.804 -2.446
184 1HB CYS 27 1HB CYS 27 -2.532 -6.507 -2.215
185 2HB CYS 27 2HB CYS 27 -2.695 -6.643 -3.976
186 H ARG 28 H ARG 28 1.615 -5.820 -3.546
187 HA ARG 28 HA ARG 28 1.732 -5.040 -6.363
188 1HB ARG 28 1HB ARG 28 3.870 -5.620 -4.264
189 2HB ARG 28 2HB ARG 28 4.196 -4.954 -5.875
190 1HG ARG 28 1HG ARG 28 2.731 -3.041 -5.405
191 2HG ARG 28 2HG ARG 28 2.377 -3.661 -3.785
192 1HD ARG 28 1HD ARG 28 5.050 -2.692 -4.785
193 2HD ARG 28 2HD ARG 28 3.929 -1.856 -3.693
194 HE ARG 28 HE ARG 28 4.232 -3.948 -2.179
195 1HH1 ARG 28 1HH1 ARG 28 5.722 -4.550 -0.741
196 2HH1 ARG 28 2HH1 ARG 28 7.421 -4.451 -1.137
197 1HH2 ARG 28 1HH2 ARG 28 6.924 -2.872 -4.143
198 2HH2 ARG 28 2HH2 ARG 28 8.090 -3.524 -3.022
199 H GLY 29 H GLY 29 3.514 -6.158 -7.657
200 1HA GLY 29 1HA GLY 29 3.830 -7.904 -9.173
201 2HA GLY 29 2HA GLY 29 2.417 -8.696 -8.475
202 H ASN 30 H ASN 30 4.921 -7.949 -6.287
203 HA ASN 30 HA ASN 30 6.322 -10.529 -6.345
204 1HB ASN 30 1HB ASN 30 7.537 -9.678 -4.439
205 2HB ASN 30 2HB ASN 30 7.458 -8.436 -5.685
206 2HD2 ASN 30 2HD2 ASN 30 8.179 -7.497 -3.296
207 1HD2 ASN 30 1HD2 ASN 30 6.811 -6.695 -2.524
208 H GLY 31 H GLY 31 3.283 -9.583 -5.087
209 1HA GLY 31 1HA GLY 31 3.021 -12.102 -3.539
210 2HA GLY 31 2HA GLY 31 1.731 -11.016 -4.040
211 H TYR 32 H TYR 32 3.538 -8.725 -2.834
212 HA TYR 32 HA TYR 32 2.609 -9.029 0.000
213 1HB TYR 32 1HB TYR 32 5.209 -7.955 -1.062
214 2HB TYR 32 2HB TYR 32 4.698 -7.736 0.595
215 HD1 TYR 32 HD1 TYR 32 5.885 -10.229 -1.901
216 HD2 TYR 32 HD2 TYR 32 5.015 -9.421 2.230
217 HE1 TYR 32 HE1 TYR 32 7.168 -12.257 -1.243
218 HE2 TYR 32 HE2 TYR 32 6.352 -11.416 2.906
219 HH TYR 32 HH TYR 32 8.007 -13.486 0.502
220 H CYS 33 H CYS 33 2.340 -7.055 1.146
221 HA CYS 33 HA CYS 33 1.055 -4.949 -0.326
222 1HB CYS 33 1HB CYS 33 2.000 -5.130 2.556
223 2HB CYS 33 2HB CYS 33 0.958 -3.856 1.925
224 H GLY 34 H GLY 34 1.645 -2.760 -0.517
225 1HA GLY 34 1HA GLY 34 4.408 -1.944 -0.850
226 2HA GLY 34 2HA GLY 34 3.810 -1.437 0.728
No H/Q in entry = 226
Start of MODEL 8
1 H SER 1 H SER 1 3.991 0.685 -0.572
2 HA SER 1 HA SER 1 1.617 2.050 -0.826
3 1HB SER 1 1HB SER 1 4.361 3.021 -1.677
4 2HB SER 1 2HB SER 1 2.948 4.035 -1.331
5 HG SER 1 HG SER 1 4.235 3.898 0.505
6 H GLY 2 H GLY 2 0.187 2.392 -2.512
7 1HA GLY 2 1HA GLY 2 -0.618 1.777 -4.668
8 2HA GLY 2 2HA GLY 2 1.016 1.722 -5.288
9 H SER 3 H SER 3 -0.632 2.823 -6.884
10 HA SER 3 HA SER 3 0.311 5.471 -7.368
11 1HB SER 3 1HB SER 3 -1.201 5.339 -9.335
12 2HB SER 3 2HB SER 3 -0.136 3.939 -9.161
13 HG SER 3 HG SER 3 -2.317 3.342 -9.632
14 H ASP 4 H ASP 4 -2.189 4.600 -5.298
15 HA ASP 4 HA ASP 4 -4.142 6.646 -5.603
16 1HB ASP 4 1HB ASP 4 -4.377 4.675 -4.156
17 2HB ASP 4 2HB ASP 4 -3.071 5.250 -3.121
18 H GLY 5 H GLY 5 -0.891 6.824 -4.281
19 1HA GLY 5 1HA GLY 5 -0.970 9.760 -4.305
20 2HA GLY 5 2HA GLY 5 0.440 8.730 -4.105
21 H GLY 6 H GLY 6 -1.966 7.830 -1.888
22 1HA GLY 6 1HA GLY 6 -2.201 8.129 0.418
23 2HA GLY 6 2HA GLY 6 -1.199 9.579 0.342
24 H VAL 7 H VAL 7 -0.678 8.193 2.455
25 HA VAL 7 HA VAL 7 1.893 6.776 2.011
26 HB VAL 7 HB VAL 7 2.163 6.919 4.458
27 1HG1 VAL 7 1HG1 VAL 7 3.089 8.649 2.963
28 2HG1 VAL 7 2HG1 VAL 7 1.606 9.610 3.149
29 3HG1 VAL 7 3HG1 VAL 7 2.654 9.301 4.550
30 1HG2 VAL 7 1HG2 VAL 7 -0.217 7.037 5.179
31 2HG2 VAL 7 2HG2 VAL 7 0.756 8.362 5.828
32 3HG2 VAL 7 3HG2 VAL 7 -0.342 8.663 4.471
33 H CYS 8 H CYS 8 2.358 4.853 3.034
34 HA CYS 8 HA CYS 8 0.149 3.256 4.178
35 1HB CYS 8 1HB CYS 8 0.285 2.364 1.916
36 2HB CYS 8 2HB CYS 8 2.032 2.251 2.007
37 HA PRO 9 HA PRO 9 3.591 2.469 7.093
38 1HB PRO 9 1HB PRO 9 2.258 0.982 8.938
39 2HB PRO 9 2HB PRO 9 2.007 2.741 8.759
40 1HG PRO 9 1HG PRO 9 0.315 0.508 7.592
41 2HG PRO 9 2HG PRO 9 -0.231 1.945 8.513
42 1HD PRO 9 1HD PRO 9 -0.236 1.854 5.780
43 2HD PRO 9 2HD PRO 9 0.109 3.373 6.662
44 H LYS 10 H LYS 10 4.423 1.363 5.176
45 HA LYS 10 HA LYS 10 3.933 -1.285 4.354
46 1HB LYS 10 1HB LYS 10 6.431 0.433 4.178
47 2HB LYS 10 2HB LYS 10 6.292 -1.147 3.401
48 1HG LYS 10 1HG LYS 10 4.378 -0.412 2.081
49 2HG LYS 10 2HG LYS 10 4.405 1.185 2.832
50 1HD LYS 10 1HD LYS 10 6.756 0.015 1.270
51 2HD LYS 10 2HD LYS 10 5.501 1.026 0.547
52 1HE LYS 10 1HE LYS 10 6.024 2.852 2.150
53 2HE LYS 10 2HE LYS 10 7.323 1.868 2.840
54 1HZ LYS 10 1HZ LYS 10 7.211 2.805 0.021
55 2HZ LYS 10 2HZ LYS 10 8.181 3.415 1.181
56 3HZ LYS 10 3HZ LYS 10 8.410 1.888 0.655
57 H ILE 11 H ILE 11 4.074 -3.084 5.374
58 HA ILE 11 HA ILE 11 6.583 -3.916 6.669
59 HB ILE 11 HB ILE 11 5.237 -5.269 8.374
60 1HG1 ILE 11 1HG1 ILE 11 3.192 -4.220 9.265
61 2HG1 ILE 11 2HG1 ILE 11 3.094 -3.148 7.875
62 1HG2 ILE 11 1HG2 ILE 11 6.710 -3.349 8.893
63 2HG2 ILE 11 2HG2 ILE 11 5.318 -2.254 8.726
64 3HG2 ILE 11 3HG2 ILE 11 5.339 -3.485 10.001
65 1HD1 ILE 11 1HD1 ILE 11 2.965 -6.189 7.745
66 2HD1 ILE 11 2HD1 ILE 11 1.551 -5.119 7.773
67 3HD1 ILE 11 3HD1 ILE 11 2.663 -5.056 6.398
68 H LEU 12 H LEU 12 6.554 -6.390 6.936
69 HA LEU 12 HA LEU 12 6.453 -7.367 4.228
70 1HB LEU 12 1HB LEU 12 7.260 -8.756 6.808
71 2HB LEU 12 2HB LEU 12 7.602 -9.340 5.181
72 HG LEU 12 HG LEU 12 8.706 -6.763 6.376
73 1HD1 LEU 12 1HD1 LEU 12 9.645 -8.811 7.381
74 2HD1 LEU 12 2HD1 LEU 12 10.042 -9.431 5.763
75 3HD1 LEU 12 3HD1 LEU 12 10.842 -7.970 6.385
76 1HD2 LEU 12 1HD2 LEU 12 9.271 -8.135 3.708
77 2HD2 LEU 12 2HD2 LEU 12 8.511 -6.542 3.938
78 3HD2 LEU 12 3HD2 LEU 12 10.202 -6.778 4.384
79 H LYS 13 H LYS 13 3.807 -6.976 5.048
80 HA LYS 13 HA LYS 13 2.458 -9.514 5.618
81 1HB LYS 13 1HB LYS 13 1.598 -7.275 6.255
82 2HB LYS 13 2HB LYS 13 1.308 -6.896 4.553
83 1HG LYS 13 1HG LYS 13 -0.293 -8.834 4.471
84 2HG LYS 13 2HG LYS 13 0.086 -9.176 6.172
85 1HD LYS 13 1HD LYS 13 -0.659 -6.705 6.616
86 2HD LYS 13 2HD LYS 13 -1.374 -6.784 4.989
87 1HE LYS 13 1HE LYS 13 -2.595 -8.878 5.735
88 2HE LYS 13 2HE LYS 13 -1.927 -8.623 7.360
89 1HZ LYS 13 1HZ LYS 13 -3.100 -6.471 7.407
90 2HZ LYS 13 2HZ LYS 13 -3.714 -6.750 5.907
91 3HZ LYS 13 3HZ LYS 13 -4.162 -7.690 7.169
92 H LYS 14 H LYS 14 2.544 -11.116 4.165
93 HA LYS 14 HA LYS 14 2.547 -10.811 1.272
94 1HB LYS 14 1HB LYS 14 1.813 -13.170 3.062
95 2HB LYS 14 2HB LYS 14 1.813 -13.215 1.289
96 1HG LYS 14 1HG LYS 14 4.198 -12.607 1.248
97 2HG LYS 14 2HG LYS 14 4.252 -12.633 3.022
98 1HD LYS 14 1HD LYS 14 3.553 -15.015 1.246
99 2HD LYS 14 2HD LYS 14 5.151 -14.691 1.933
100 1HE LYS 14 1HE LYS 14 4.194 -14.798 4.229
101 2HE LYS 14 2HE LYS 14 2.604 -15.170 3.545
102 1HZ LYS 14 1HZ LYS 14 3.567 -17.198 2.590
103 2HZ LYS 14 2HZ LYS 14 5.032 -16.856 3.227
104 3HZ LYS 14 3HZ LYS 14 3.773 -17.190 4.209
105 H CYS 15 H CYS 15 0.873 -10.871 -0.072
106 HA CYS 15 HA CYS 15 -1.949 -11.008 0.988
107 1HB CYS 15 1HB CYS 15 -2.540 -8.911 -0.135
108 2HB CYS 15 2HB CYS 15 -1.289 -8.693 1.048
109 H ARG 16 H ARG 16 -3.589 -10.879 -0.623
110 HA ARG 16 HA ARG 16 -3.039 -12.157 -3.287
111 1HB ARG 16 1HB ARG 16 -5.604 -12.511 -1.687
112 2HB ARG 16 2HB ARG 16 -5.103 -13.335 -3.140
113 1HG ARG 16 1HG ARG 16 -4.942 -14.927 -1.461
114 2HG ARG 16 2HG ARG 16 -3.279 -14.487 -1.822
115 1HD ARG 16 1HD ARG 16 -3.846 -14.847 0.628
116 2HD ARG 16 2HD ARG 16 -3.037 -13.344 0.266
117 HE ARG 16 HE ARG 16 -4.987 -12.101 0.761
118 1HH1 ARG 16 1HH1 ARG 16 -6.770 -11.733 1.881
119 2HH1 ARG 16 2HH1 ARG 16 -7.879 -13.043 2.255
120 1HH2 ARG 16 1HH2 ARG 16 -5.865 -15.495 0.922
121 2HH2 ARG 16 2HH2 ARG 16 -7.361 -15.132 1.746
122 H ARG 17 H ARG 17 -4.705 -9.733 -1.420
123 HA ARG 17 HA ARG 17 -5.801 -8.400 -3.873
124 1HB ARG 17 1HB ARG 17 -7.142 -9.007 -1.193
125 2HB ARG 17 2HB ARG 17 -7.729 -7.727 -2.227
126 1HG ARG 17 1HG ARG 17 -7.624 -10.665 -2.932
127 2HG ARG 17 2HG ARG 17 -9.039 -9.712 -2.480
128 1HD ARG 17 1HD ARG 17 -7.401 -9.483 -5.036
129 2HD ARG 17 2HD ARG 17 -9.070 -10.003 -4.881
130 HE ARG 17 HE ARG 17 -9.705 -7.706 -4.245
131 1HH1 ARG 17 1HH1 ARG 17 -9.459 -5.492 -4.510
132 2HH1 ARG 17 2HH1 ARG 17 -8.010 -4.922 -5.329
133 1HH2 ARG 17 1HH2 ARG 17 -6.651 -7.891 -6.026
134 2HH2 ARG 17 2HH2 ARG 17 -6.549 -6.130 -6.048
135 H ASP 18 H ASP 18 -6.157 -6.181 -3.713
136 HA ASP 18 HA ASP 18 -4.326 -4.605 -2.131
137 1HB ASP 18 1HB ASP 18 -6.917 -3.651 -3.402
138 2HB ASP 18 2HB ASP 18 -5.475 -2.695 -3.043
139 H SER 19 H SER 19 -7.557 -5.812 -1.555
140 HA SER 19 HA SER 19 -8.355 -4.236 0.689
141 1HB SER 19 1HB SER 19 -9.123 -7.104 0.025
142 2HB SER 19 2HB SER 19 -10.035 -5.951 1.015
143 HG SER 19 HG SER 19 -10.886 -6.043 -1.089
144 H ASP 20 H ASP 20 -6.162 -6.943 0.397
145 HA ASP 20 HA ASP 20 -6.043 -7.692 3.226
146 1HB ASP 20 1HB ASP 20 -4.043 -7.936 0.965
147 2HB ASP 20 2HB ASP 20 -3.742 -8.622 2.504
148 H CYS 21 H CYS 21 -4.822 -4.948 1.471
149 HA CYS 21 HA CYS 21 -2.605 -4.531 3.381
150 1HB CYS 21 1HB CYS 21 -3.211 -3.231 0.712
151 2HB CYS 21 2HB CYS 21 -1.742 -3.027 1.668
152 HA PRO 22 HA PRO 22 -4.506 -0.965 5.277
153 1HB PRO 22 1HB PRO 22 -2.417 0.104 6.633
154 2HB PRO 22 2HB PRO 22 -3.029 -1.537 6.997
155 1HG PRO 22 1HG PRO 22 -0.675 -0.783 5.234
156 2HG PRO 22 2HG PRO 22 -0.711 -1.979 6.566
157 1HD PRO 22 1HD PRO 22 -1.045 -2.683 3.933
158 2HD PRO 22 2HD PRO 22 -1.877 -3.540 5.267
159 H GLY 23 H GLY 23 -4.387 1.396 5.455
160 1HA GLY 23 1HA GLY 23 -2.686 3.236 4.367
161 2HA GLY 23 2HA GLY 23 -4.422 3.499 4.505
162 H ALA 24 H ALA 24 -1.975 3.790 2.430
163 HA ALA 24 HA ALA 24 -3.655 3.607 -0.007
164 1HB ALA 24 1HB ALA 24 -2.584 5.759 0.674
165 2HB ALA 24 2HB ALA 24 -2.079 5.196 -0.929
166 3HB ALA 24 3HB ALA 24 -0.990 4.987 0.453
167 H CYS 25 H CYS 25 -1.810 1.353 1.422
168 HA CYS 25 HA CYS 25 -0.048 0.570 -0.733
169 1HB CYS 25 1HB CYS 25 -1.153 -0.917 1.653
170 2HB CYS 25 2HB CYS 25 -0.333 -1.735 0.355
171 H ILE 26 H ILE 26 -0.219 -1.197 -1.985
172 HA ILE 26 HA ILE 26 -2.860 -2.326 -2.793
173 HB ILE 26 HB ILE 26 -1.914 -2.494 -5.118
174 1HG1 ILE 26 1HG1 ILE 26 0.130 -0.410 -4.294
175 2HG1 ILE 26 2HG1 ILE 26 0.513 -2.120 -4.329
176 1HG2 ILE 26 1HG2 ILE 26 -3.575 -0.787 -4.502
177 2HG2 ILE 26 2HG2 ILE 26 -2.284 0.342 -4.058
178 3HG2 ILE 26 3HG2 ILE 26 -2.480 -0.179 -5.746
179 1HD1 ILE 26 1HD1 ILE 26 -0.488 -0.603 -6.759
180 2HD1 ILE 26 2HD1 ILE 26 1.206 -0.927 -6.383
181 3HD1 ILE 26 3HD1 ILE 26 0.118 -2.295 -6.684
182 H CYS 27 H CYS 27 -2.491 -4.477 -3.896
183 HA CYS 27 HA CYS 27 -0.311 -5.971 -2.520
184 1HB CYS 27 1HB CYS 27 -2.637 -6.806 -2.541
185 2HB CYS 27 2HB CYS 27 -2.512 -7.083 -4.287
186 H ARG 28 H ARG 28 1.550 -5.673 -3.456
187 HA ARG 28 HA ARG 28 1.960 -4.776 -6.175
188 1HB ARG 28 1HB ARG 28 3.898 -5.823 -4.051
189 2HB ARG 28 2HB ARG 28 4.398 -4.986 -5.509
190 1HG ARG 28 1HG ARG 28 2.654 -3.745 -3.330
191 2HG ARG 28 2HG ARG 28 4.405 -3.607 -3.399
192 1HD ARG 28 1HD ARG 28 2.535 -2.652 -5.594
193 2HD ARG 28 2HD ARG 28 3.160 -1.627 -4.306
194 HE ARG 28 HE ARG 28 5.447 -2.037 -5.130
195 1HH1 ARG 28 1HH1 ARG 28 6.783 -1.866 -6.855
196 2HH1 ARG 28 2HH1 ARG 28 6.151 -2.042 -8.467
197 1HH2 ARG 28 1HH2 ARG 28 2.914 -2.579 -7.506
198 2HH2 ARG 28 2HH2 ARG 28 4.041 -2.449 -8.828
199 H GLY 29 H GLY 29 3.670 -5.872 -7.490
200 1HA GLY 29 1HA GLY 29 4.063 -7.540 -9.087
201 2HA GLY 29 2HA GLY 29 2.620 -8.368 -8.503
202 H ASN 30 H ASN 30 5.037 -7.724 -6.167
203 HA ASN 30 HA ASN 30 6.417 -10.323 -6.333
204 1HB ASN 30 1HB ASN 30 7.668 -9.541 -4.395
205 2HB ASN 30 2HB ASN 30 7.643 -8.324 -5.666
206 2HD2 ASN 30 2HD2 ASN 30 8.315 -6.850 -3.865
207 1HD2 ASN 30 1HD2 ASN 30 7.026 -6.211 -2.848
208 H GLY 31 H GLY 31 3.398 -9.431 -5.063
209 1HA GLY 31 1HA GLY 31 3.173 -11.988 -3.576
210 2HA GLY 31 2HA GLY 31 1.864 -10.927 -4.075
211 H TYR 32 H TYR 32 3.660 -8.663 -2.727
212 HA TYR 32 HA TYR 32 2.533 -9.017 0.029
213 1HB TYR 32 1HB TYR 32 5.151 -7.800 -0.830
214 2HB TYR 32 2HB TYR 32 4.518 -7.676 0.791
215 HD1 TYR 32 HD1 TYR 32 4.976 -9.316 2.407
216 HD2 TYR 32 HD2 TYR 32 5.878 -10.089 -1.728
217 HE1 TYR 32 HE1 TYR 32 6.447 -11.196 3.093
218 HE2 TYR 32 HE2 TYR 32 7.283 -12.038 -1.055
219 HH TYR 32 HH TYR 32 7.831 -12.885 2.384
220 H CYS 33 H CYS 33 2.222 -6.969 1.172
221 HA CYS 33 HA CYS 33 0.908 -4.960 -0.430
222 1HB CYS 33 1HB CYS 33 1.733 -5.042 2.493
223 2HB CYS 33 2HB CYS 33 0.721 -3.782 1.784
224 H GLY 34 H GLY 34 1.548 -2.904 -1.049
225 1HA GLY 34 1HA GLY 34 4.155 -2.061 -1.521
226 2HA GLY 34 2HA GLY 34 3.823 -1.531 0.132
No H/Q in entry = 226
Start of MODEL 9
1 H SER 1 H SER 1 4.531 0.408 -1.174
2 HA SER 1 HA SER 1 2.234 1.981 -1.310
3 1HB SER 1 1HB SER 1 4.906 2.411 -2.694
4 2HB SER 1 2HB SER 1 3.671 3.662 -2.443
5 HG SER 1 HG SER 1 5.429 3.458 -0.813
6 H GLY 2 H GLY 2 0.760 2.582 -2.779
7 1HA GLY 2 1HA GLY 2 -0.508 2.117 -4.803
8 2HA GLY 2 2HA GLY 2 0.961 1.610 -5.609
9 H SER 3 H SER 3 1.822 4.302 -3.961
10 HA SER 3 HA SER 3 2.427 6.401 -4.409
11 1HB SER 3 1HB SER 3 2.033 5.705 -7.331
12 2HB SER 3 2HB SER 3 2.869 7.131 -6.693
13 HG SER 3 HG SER 3 4.319 5.412 -7.187
14 H ASP 4 H ASP 4 -0.342 5.832 -6.618
15 HA ASP 4 HA ASP 4 -1.425 8.496 -6.428
16 1HB ASP 4 1HB ASP 4 -1.909 6.883 -8.243
17 2HB ASP 4 2HB ASP 4 -2.775 5.853 -7.103
18 H GLY 5 H GLY 5 -1.853 5.626 -4.430
19 1HA GLY 5 1HA GLY 5 -3.129 5.240 -2.495
20 2HA GLY 5 2HA GLY 5 -3.939 6.789 -2.700
21 H GLY 6 H GLY 6 -0.619 7.321 -2.902
22 1HA GLY 6 1HA GLY 6 -0.345 8.044 -0.008
23 2HA GLY 6 2HA GLY 6 0.447 8.869 -1.356
24 H VAL 7 H VAL 7 2.078 8.351 0.491
25 HA VAL 7 HA VAL 7 3.852 6.109 -0.255
26 HB VAL 7 HB VAL 7 4.059 8.114 2.043
27 1HG1 VAL 7 1HG1 VAL 7 6.104 6.151 0.899
28 2HG1 VAL 7 2HG1 VAL 7 6.441 7.401 2.115
29 3HG1 VAL 7 3HG1 VAL 7 5.364 6.064 2.514
30 1HG2 VAL 7 1HG2 VAL 7 5.443 8.054 -0.675
31 2HG2 VAL 7 2HG2 VAL 7 4.234 9.243 -0.140
32 3HG2 VAL 7 3HG2 VAL 7 5.809 9.179 0.652
33 H CYS 8 H CYS 8 3.349 4.080 0.445
34 HA CYS 8 HA CYS 8 1.839 3.713 2.946
35 1HB CYS 8 1HB CYS 8 1.467 2.255 0.896
36 2HB CYS 8 2HB CYS 8 3.069 1.577 1.204
37 HA PRO 9 HA PRO 9 5.809 3.003 5.165
38 1HB PRO 9 1HB PRO 9 4.763 2.370 7.620
39 2HB PRO 9 2HB PRO 9 4.920 4.041 7.006
40 1HG PRO 9 1HG PRO 9 2.461 2.272 6.961
41 2HG PRO 9 2HG PRO 9 2.588 3.988 7.464
42 1HD PRO 9 1HD PRO 9 1.731 3.253 4.986
43 2HD PRO 9 2HD PRO 9 2.723 4.729 5.211
44 H LYS 10 H LYS 10 6.291 1.260 3.855
45 HA LYS 10 HA LYS 10 4.948 -1.113 3.462
46 1HB LYS 10 1HB LYS 10 7.941 -0.560 3.266
47 2HB LYS 10 2HB LYS 10 7.146 -1.997 2.613
48 1HG LYS 10 1HG LYS 10 5.770 -0.600 1.113
49 2HG LYS 10 2HG LYS 10 6.491 0.862 1.787
50 1HD LYS 10 1HD LYS 10 7.540 0.406 -0.318
51 2HD LYS 10 2HD LYS 10 8.720 0.171 0.977
52 1HE LYS 10 1HE LYS 10 8.351 -2.296 0.847
53 2HE LYS 10 2HE LYS 10 7.167 -2.048 -0.443
54 1HZ LYS 10 1HZ LYS 10 10.046 -1.312 -0.600
55 2HZ LYS 10 2HZ LYS 10 9.364 -2.598 -1.335
56 3HZ LYS 10 3HZ LYS 10 8.960 -1.087 -1.800
57 H ILE 11 H ILE 11 5.033 -3.112 4.069
58 HA ILE 11 HA ILE 11 6.619 -4.116 6.367
59 HB ILE 11 HB ILE 11 4.560 -5.156 7.359
60 1HG1 ILE 11 1HG1 ILE 11 3.015 -3.177 5.614
61 2HG1 ILE 11 2HG1 ILE 11 3.056 -4.922 5.378
62 1HG2 ILE 11 1HG2 ILE 11 5.688 -3.106 8.265
63 2HG2 ILE 11 2HG2 ILE 11 4.487 -2.117 7.408
64 3HG2 ILE 11 3HG2 ILE 11 3.981 -3.238 8.685
65 1HD1 ILE 11 1HD1 ILE 11 2.061 -5.196 7.688
66 2HD1 ILE 11 2HD1 ILE 11 1.855 -3.429 7.738
67 3HD1 ILE 11 3HD1 ILE 11 1.015 -4.382 6.504
68 H LEU 12 H LEU 12 6.594 -6.449 6.555
69 HA LEU 12 HA LEU 12 6.610 -7.808 3.956
70 1HB LEU 12 1HB LEU 12 7.403 -8.692 6.761
71 2HB LEU 12 2HB LEU 12 7.491 -9.730 5.350
72 HG LEU 12 HG LEU 12 9.651 -8.943 5.860
73 1HD1 LEU 12 1HD1 LEU 12 9.048 -9.274 3.474
74 2HD1 LEU 12 2HD1 LEU 12 8.737 -7.527 3.329
75 3HD1 LEU 12 3HD1 LEU 12 10.365 -8.114 3.713
76 1HD2 LEU 12 1HD2 LEU 12 9.080 -6.769 6.945
77 2HD2 LEU 12 2HD2 LEU 12 10.422 -6.691 5.793
78 3HD2 LEU 12 3HD2 LEU 12 8.834 -6.071 5.320
79 H LYS 13 H LYS 13 3.992 -7.031 4.915
80 HA LYS 13 HA LYS 13 2.532 -9.480 5.645
81 1HB LYS 13 1HB LYS 13 1.878 -7.170 6.368
82 2HB LYS 13 2HB LYS 13 1.403 -6.811 4.701
83 1HG LYS 13 1HG LYS 13 -0.246 -8.665 4.780
84 2HG LYS 13 2HG LYS 13 0.314 -9.096 6.411
85 1HD LYS 13 1HD LYS 13 -0.330 -6.735 7.141
86 2HD LYS 13 2HD LYS 13 -1.132 -6.542 5.576
87 1HE LYS 13 1HE LYS 13 -1.733 -8.691 7.671
88 2HE LYS 13 2HE LYS 13 -2.669 -7.215 7.426
89 1HZ LYS 13 1HZ LYS 13 -3.169 -7.972 5.176
90 2HZ LYS 13 2HZ LYS 13 -2.356 -9.380 5.417
91 3HZ LYS 13 3HZ LYS 13 -3.708 -9.056 6.280
92 H LYS 14 H LYS 14 2.655 -11.042 4.139
93 HA LYS 14 HA LYS 14 2.485 -10.713 1.291
94 1HB LYS 14 1HB LYS 14 2.157 -13.108 1.198
95 2HB LYS 14 2HB LYS 14 3.484 -12.687 2.274
96 1HG LYS 14 1HG LYS 14 1.968 -13.033 4.247
97 2HG LYS 14 2HG LYS 14 0.679 -13.532 3.133
98 1HD LYS 14 1HD LYS 14 2.102 -15.390 2.313
99 2HD LYS 14 2HD LYS 14 3.402 -14.884 3.418
100 1HE LYS 14 1HE LYS 14 1.884 -15.246 5.355
101 2HE LYS 14 2HE LYS 14 0.599 -15.761 4.255
102 1HZ LYS 14 1HZ LYS 14 2.028 -17.616 3.565
103 2HZ LYS 14 2HZ LYS 14 3.214 -17.139 4.584
104 3HZ LYS 14 3HZ LYS 14 1.789 -17.666 5.178
105 H CYS 15 H CYS 15 0.829 -10.955 -0.058
106 HA CYS 15 HA CYS 15 -2.000 -11.025 0.970
107 1HB CYS 15 1HB CYS 15 -2.519 -8.970 -0.296
108 2HB CYS 15 2HB CYS 15 -1.346 -8.711 0.957
109 H ARG 16 H ARG 16 -3.627 -10.932 -0.711
110 HA ARG 16 HA ARG 16 -2.951 -12.172 -3.363
111 1HB ARG 16 1HB ARG 16 -5.350 -12.762 -1.575
112 2HB ARG 16 2HB ARG 16 -5.121 -13.369 -3.219
113 1HG ARG 16 1HG ARG 16 -3.091 -14.600 -2.501
114 2HG ARG 16 2HG ARG 16 -3.321 -14.013 -0.840
115 1HD ARG 16 1HD ARG 16 -5.547 -15.092 -0.763
116 2HD ARG 16 2HD ARG 16 -5.302 -15.714 -2.408
117 HE ARG 16 HE ARG 16 -3.087 -16.578 -0.893
118 1HH1 ARG 16 1HH1 ARG 16 -2.895 -18.584 0.010
119 2HH1 ARG 16 2HH1 ARG 16 -4.323 -19.525 0.347
120 1HH2 ARG 16 1HH2 ARG 16 -6.533 -17.184 -0.823
121 2HH2 ARG 16 2HH2 ARG 16 -6.330 -18.762 -0.108
122 H ARG 17 H ARG 17 -4.723 -9.751 -1.592
123 HA ARG 17 HA ARG 17 -5.456 -8.385 -4.127
124 1HB ARG 17 1HB ARG 17 -7.424 -9.845 -3.067
125 2HB ARG 17 2HB ARG 17 -7.511 -8.488 -1.922
126 1HG ARG 17 1HG ARG 17 -8.061 -6.935 -3.651
127 2HG ARG 17 2HG ARG 17 -7.660 -8.110 -4.922
128 1HD ARG 17 1HD ARG 17 -10.028 -8.024 -4.813
129 2HD ARG 17 2HD ARG 17 -9.545 -9.555 -4.071
130 HE ARG 17 HE ARG 17 -9.948 -7.269 -2.211
131 1HH1 ARG 17 1HH1 ARG 17 -11.488 -7.264 -0.788
132 2HH1 ARG 17 2HH1 ARG 17 -12.790 -8.447 -0.815
133 1HH2 ARG 17 1HH2 ARG 17 -11.585 -10.028 -3.637
134 2HH2 ARG 17 2HH2 ARG 17 -12.833 -9.988 -2.417
135 H ASP 18 H ASP 18 -6.399 -6.218 -3.547
136 HA ASP 18 HA ASP 18 -4.393 -4.753 -1.971
137 1HB ASP 18 1HB ASP 18 -6.947 -3.653 -3.197
138 2HB ASP 18 2HB ASP 18 -5.527 -2.737 -2.662
139 H SER 19 H SER 19 -7.598 -5.967 -1.342
140 HA SER 19 HA SER 19 -8.337 -4.464 0.973
141 1HB SER 19 1HB SER 19 -9.003 -7.371 0.375
142 2HB SER 19 2HB SER 19 -9.937 -6.228 1.353
143 HG SER 19 HG SER 19 -10.212 -4.979 -0.614
144 H ASP 20 H ASP 20 -5.994 -6.941 0.511
145 HA ASP 20 HA ASP 20 -5.747 -7.842 3.310
146 1HB ASP 20 1HB ASP 20 -3.909 -7.999 0.916
147 2HB ASP 20 2HB ASP 20 -3.512 -8.758 2.413
148 H CYS 21 H CYS 21 -4.845 -4.939 1.739
149 HA CYS 21 HA CYS 21 -2.499 -4.486 3.526
150 1HB CYS 21 1HB CYS 21 -3.164 -3.362 0.783
151 2HB CYS 21 2HB CYS 21 -1.687 -3.068 1.686
152 HA PRO 22 HA PRO 22 -4.384 -0.786 5.179
153 1HB PRO 22 1HB PRO 22 -2.244 0.857 5.665
154 2HB PRO 22 2HB PRO 22 -2.561 -0.641 6.593
155 1HG PRO 22 1HG PRO 22 -0.718 -0.284 4.215
156 2HG PRO 22 2HG PRO 22 -0.331 -1.034 5.798
157 1HD PRO 22 1HD PRO 22 -1.011 -2.539 3.656
158 2HD PRO 22 2HD PRO 22 -1.606 -2.966 5.285
159 H GLY 23 H GLY 23 -4.607 1.560 4.829
160 1HA GLY 23 1HA GLY 23 -5.009 3.445 3.540
161 2HA GLY 23 2HA GLY 23 -5.848 2.216 2.594
162 H ALA 24 H ALA 24 -2.505 3.401 2.967
163 HA ALA 24 HA ALA 24 -2.412 4.416 0.225
164 1HB ALA 24 1HB ALA 24 -0.290 4.279 2.404
165 2HB ALA 24 2HB ALA 24 -0.161 5.193 0.883
166 3HB ALA 24 3HB ALA 24 -1.385 5.642 2.078
167 H CYS 25 H CYS 25 -1.685 1.346 1.556
168 HA CYS 25 HA CYS 25 0.285 0.598 -0.512
169 1HB CYS 25 1HB CYS 25 -1.030 -0.882 1.770
170 2HB CYS 25 2HB CYS 25 -0.237 -1.739 0.473
171 H ILE 26 H ILE 26 -0.059 -1.250 -1.750
172 HA ILE 26 HA ILE 26 -2.751 -2.184 -2.566
173 HB ILE 26 HB ILE 26 -1.873 -2.366 -4.908
174 1HG1 ILE 26 1HG1 ILE 26 0.311 -0.409 -4.121
175 2HG1 ILE 26 2HG1 ILE 26 0.597 -2.140 -4.216
176 1HG2 ILE 26 1HG2 ILE 26 -3.404 -0.543 -4.208
177 2HG2 ILE 26 2HG2 ILE 26 -2.007 0.503 -3.884
178 3HG2 ILE 26 3HG2 ILE 26 -2.350 -0.053 -5.537
179 1HD1 ILE 26 1HD1 ILE 26 -0.348 -0.447 -6.551
180 2HD1 ILE 26 2HD1 ILE 26 1.306 -0.999 -6.261
181 3HD1 ILE 26 3HD1 ILE 26 0.042 -2.200 -6.572
182 H CYS 27 H CYS 27 -2.449 -4.365 -3.659
183 HA CYS 27 HA CYS 27 -0.264 -5.921 -2.365
184 1HB CYS 27 1HB CYS 27 -2.578 -6.744 -2.373
185 2HB CYS 27 2HB CYS 27 -2.533 -6.891 -4.136
186 H ARG 28 H ARG 28 1.598 -5.608 -3.331
187 HA ARG 28 HA ARG 28 1.993 -4.643 -6.027
188 1HB ARG 28 1HB ARG 28 3.923 -5.841 -3.982
189 2HB ARG 28 2HB ARG 28 4.429 -4.983 -5.422
190 1HG ARG 28 1HG ARG 28 2.756 -3.713 -3.204
191 2HG ARG 28 2HG ARG 28 4.511 -3.705 -3.223
192 1HD ARG 28 1HD ARG 28 2.785 -2.511 -5.421
193 2HD ARG 28 2HD ARG 28 3.464 -1.602 -4.063
194 HE ARG 28 HE ARG 28 5.571 -3.018 -5.380
195 1HH1 ARG 28 1HH1 ARG 28 6.872 -2.198 -6.956
196 2HH1 ARG 28 2HH1 ARG 28 6.532 -0.628 -7.625
197 1HH2 ARG 28 1HH2 ARG 28 3.756 -0.046 -5.712
198 2HH2 ARG 28 2HH2 ARG 28 4.773 0.516 -7.014
199 H GLY 29 H GLY 29 3.608 -5.759 -7.428
200 1HA GLY 29 1HA GLY 29 3.889 -7.384 -9.094
201 2HA GLY 29 2HA GLY 29 2.416 -8.155 -8.509
202 H ASN 30 H ASN 30 4.917 -7.735 -6.222
203 HA ASN 30 HA ASN 30 6.129 -10.412 -6.499
204 1HB ASN 30 1HB ASN 30 7.493 -9.759 -4.588
205 2HB ASN 30 2HB ASN 30 7.511 -8.519 -5.838
206 2HD2 ASN 30 2HD2 ASN 30 8.328 -7.107 -4.064
207 1HD2 ASN 30 1HD2 ASN 30 7.125 -6.409 -2.983
208 H GLY 31 H GLY 31 3.208 -9.377 -5.135
209 1HA GLY 31 1HA GLY 31 2.864 -11.946 -3.704
210 2HA GLY 31 2HA GLY 31 1.617 -10.779 -4.119
211 H TYR 32 H TYR 32 3.536 -8.653 -2.781
212 HA TYR 32 HA TYR 32 2.500 -9.049 0.002
213 1HB TYR 32 1HB TYR 32 5.212 -8.113 -0.931
214 2HB TYR 32 2HB TYR 32 4.624 -7.795 0.683
215 HD1 TYR 32 HD1 TYR 32 5.482 -10.610 -1.667
216 HD2 TYR 32 HD2 TYR 32 4.997 -9.306 2.403
217 HE1 TYR 32 HE1 TYR 32 6.513 -12.733 -0.860
218 HE2 TYR 32 HE2 TYR 32 6.101 -11.382 3.216
219 HH TYR 32 HH TYR 32 7.039 -13.388 2.623
220 H CYS 33 H CYS 33 2.224 -7.086 1.224
221 HA CYS 33 HA CYS 33 0.994 -4.965 -0.273
222 1HB CYS 33 1HB CYS 33 1.831 -5.172 2.641
223 2HB CYS 33 2HB CYS 33 0.837 -3.875 1.977
224 H GLY 34 H GLY 34 1.696 -2.963 -0.861
225 1HA GLY 34 1HA GLY 34 4.395 -2.267 -1.283
226 2HA GLY 34 2HA GLY 34 3.933 -1.581 0.284
No H/Q in entry = 226
Start of MODEL 10
1 H SER 1 H SER 1 4.431 0.538 -0.115
2 HA SER 1 HA SER 1 2.213 2.146 -0.441
3 1HB SER 1 1HB SER 1 5.067 2.709 -1.319
4 2HB SER 1 2HB SER 1 3.792 3.923 -1.084
5 HG SER 1 HG SER 1 5.039 3.744 0.790
6 H GLY 2 H GLY 2 0.794 2.434 -2.043
7 1HA GLY 2 1HA GLY 2 -0.012 2.013 -4.325
8 2HA GLY 2 2HA GLY 2 1.631 2.162 -4.922
9 H SER 3 H SER 3 -0.657 4.115 -2.935
10 HA SER 3 HA SER 3 -0.609 6.388 -4.730
11 1HB SER 3 1HB SER 3 -1.515 6.219 -1.833
12 2HB SER 3 2HB SER 3 -1.874 7.531 -2.971
13 HG SER 3 HG SER 3 -3.595 6.034 -2.875
14 H ASP 4 H ASP 4 1.367 5.457 -2.072
15 HA ASP 4 HA ASP 4 3.223 6.173 -1.051
16 1HB ASP 4 1HB ASP 4 3.959 6.169 -3.407
17 2HB ASP 4 2HB ASP 4 3.622 7.897 -3.507
18 H GLY 5 H GLY 5 1.181 8.884 -1.920
19 1HA GLY 5 1HA GLY 5 0.921 11.000 -1.002
20 2HA GLY 5 2HA GLY 5 2.387 10.784 -0.054
21 H GLY 6 H GLY 6 0.799 8.135 0.830
22 1HA GLY 6 1HA GLY 6 -1.481 8.262 2.151
23 2HA GLY 6 2HA GLY 6 -0.562 9.359 3.182
24 H VAL 7 H VAL 7 -1.595 7.348 4.422
25 HA VAL 7 HA VAL 7 0.661 6.145 5.706
26 HB VAL 7 HB VAL 7 -2.297 5.580 6.140
27 1HG1 VAL 7 1HG1 VAL 7 0.136 5.067 7.921
28 2HG1 VAL 7 2HG1 VAL 7 -1.560 4.887 8.417
29 3HG1 VAL 7 3HG1 VAL 7 -0.898 3.825 7.178
30 1HG2 VAL 7 1HG2 VAL 7 -0.400 7.539 7.513
31 2HG2 VAL 7 2HG2 VAL 7 -1.783 7.968 6.484
32 3HG2 VAL 7 3HG2 VAL 7 -2.060 7.172 8.031
33 H CYS 8 H CYS 8 1.818 4.642 4.678
34 HA CYS 8 HA CYS 8 0.559 1.996 4.479
35 1HB CYS 8 1HB CYS 8 0.560 2.681 2.155
36 2HB CYS 8 2HB CYS 8 2.292 3.065 2.230
37 HA PRO 9 HA PRO 9 4.531 1.401 6.723
38 1HB PRO 9 1HB PRO 9 3.854 -0.857 8.081
39 2HB PRO 9 2HB PRO 9 3.330 0.777 8.592
40 1HG PRO 9 1HG PRO 9 1.756 -1.279 7.025
41 2HG PRO 9 2HG PRO 9 1.216 -0.292 8.417
42 1HD PRO 9 1HD PRO 9 0.704 0.363 5.797
43 2HD PRO 9 2HD PRO 9 0.901 1.600 7.072
44 H LYS 10 H LYS 10 6.007 0.757 5.294
45 HA LYS 10 HA LYS 10 5.629 -1.435 3.372
46 1HB LYS 10 1HB LYS 10 7.991 0.376 3.992
47 2HB LYS 10 2HB LYS 10 7.981 -0.846 2.713
48 1HG LYS 10 1HG LYS 10 6.073 0.243 1.615
49 2HG LYS 10 2HG LYS 10 6.018 1.490 2.869
50 1HD LYS 10 1HD LYS 10 8.424 0.987 1.062
51 2HD LYS 10 2HD LYS 10 7.161 2.180 0.739
52 1HE LYS 10 1HE LYS 10 7.656 3.300 2.909
53 2HE LYS 10 2HE LYS 10 8.960 2.141 3.204
54 1HZ LYS 10 1HZ LYS 10 10.060 2.970 1.191
55 2HZ LYS 10 2HZ LYS 10 8.858 4.045 0.923
56 3HZ LYS 10 3HZ LYS 10 9.812 4.195 2.238
57 H ILE 11 H ILE 11 5.262 -3.182 4.745
58 HA ILE 11 HA ILE 11 7.768 -4.495 5.699
59 HB ILE 11 HB ILE 11 6.803 -5.482 7.547
60 1HG1 ILE 11 1HG1 ILE 11 4.624 -6.162 6.851
61 2HG1 ILE 11 2HG1 ILE 11 4.543 -5.305 8.370
62 1HG2 ILE 11 1HG2 ILE 11 7.521 -3.175 7.905
63 2HG2 ILE 11 2HG2 ILE 11 5.861 -2.598 7.650
64 3HG2 ILE 11 3HG2 ILE 11 6.235 -3.656 9.022
65 1HD1 ILE 11 1HD1 ILE 11 3.675 -3.284 7.191
66 2HD1 ILE 11 2HD1 ILE 11 3.695 -4.202 5.661
67 3HD1 ILE 11 3HD1 ILE 11 2.645 -4.707 6.991
68 H LEU 12 H LEU 12 7.570 -6.892 5.828
69 HA LEU 12 HA LEU 12 6.638 -7.935 3.266
70 1HB LEU 12 1HB LEU 12 8.087 -9.244 5.595
71 2HB LEU 12 2HB LEU 12 7.769 -10.027 4.049
72 HG LEU 12 HG LEU 12 9.489 -7.535 4.399
73 1HD1 LEU 12 1HD1 LEU 12 10.500 -9.572 5.364
74 2HD1 LEU 12 2HD1 LEU 12 10.244 -10.432 3.830
75 3HD1 LEU 12 3HD1 LEU 12 11.359 -9.049 3.907
76 1HD2 LEU 12 1HD2 LEU 12 8.939 -9.287 1.959
77 2HD2 LEU 12 2HD2 LEU 12 8.501 -7.574 2.153
78 3HD2 LEU 12 3HD2 LEU 12 10.200 -8.036 2.056
79 H LYS 13 H LYS 13 4.421 -7.154 4.417
80 HA LYS 13 HA LYS 13 2.881 -9.416 5.553
81 1HB LYS 13 1HB LYS 13 2.454 -7.014 6.135
82 2HB LYS 13 2HB LYS 13 1.914 -6.725 4.478
83 1HG LYS 13 1HG LYS 13 0.118 -8.454 4.813
84 2HG LYS 13 2HG LYS 13 0.706 -8.692 6.473
85 1HD LYS 13 1HD LYS 13 0.311 -6.163 6.808
86 2HD LYS 13 2HD LYS 13 -0.586 -6.195 5.285
87 1HE LYS 13 1HE LYS 13 -1.170 -7.862 7.779
88 2HE LYS 13 2HE LYS 13 -2.028 -6.393 7.311
89 1HZ LYS 13 1HZ LYS 13 -1.993 -8.899 5.712
90 2HZ LYS 13 2HZ LYS 13 -3.241 -8.376 6.629
91 3HZ LYS 13 3HZ LYS 13 -2.795 -7.521 5.310
92 H LYS 14 H LYS 14 2.691 -11.106 4.147
93 HA LYS 14 HA LYS 14 2.490 -10.957 1.285
94 1HB LYS 14 1HB LYS 14 1.632 -13.123 3.246
95 2HB LYS 14 2HB LYS 14 1.553 -13.282 1.482
96 1HG LYS 14 1HG LYS 14 3.973 -12.868 1.305
97 2HG LYS 14 2HG LYS 14 4.106 -12.777 3.072
98 1HD LYS 14 1HD LYS 14 3.154 -15.213 1.496
99 2HD LYS 14 2HD LYS 14 4.801 -14.966 2.095
100 1HE LYS 14 1HE LYS 14 3.940 -14.847 4.429
101 2HE LYS 14 2HE LYS 14 2.302 -15.145 3.836
102 1HZ LYS 14 1HZ LYS 14 3.068 -17.297 2.986
103 2HZ LYS 14 2HZ LYS 14 4.583 -17.026 3.537
104 3HZ LYS 14 3HZ LYS 14 3.350 -17.199 4.590
105 H CYS 15 H CYS 15 0.863 -10.958 -0.037
106 HA CYS 15 HA CYS 15 -1.981 -10.961 0.939
107 1HB CYS 15 1HB CYS 15 -2.504 -8.910 -0.276
108 2HB CYS 15 2HB CYS 15 -1.272 -8.636 0.916
109 H ARG 16 H ARG 16 -3.560 -10.838 -0.764
110 HA ARG 16 HA ARG 16 -2.925 -12.250 -3.342
111 1HB ARG 16 1HB ARG 16 -5.547 -12.429 -1.797
112 2HB ARG 16 2HB ARG 16 -5.082 -13.302 -3.234
113 1HG ARG 16 1HG ARG 16 -5.004 -14.875 -1.534
114 2HG ARG 16 2HG ARG 16 -3.320 -14.516 -1.891
115 1HD ARG 16 1HD ARG 16 -3.879 -14.814 0.554
116 2HD ARG 16 2HD ARG 16 -3.055 -13.323 0.179
117 HE ARG 16 HE ARG 16 -5.007 -12.054 0.630
118 1HH1 ARG 16 1HH1 ARG 16 -6.732 -11.669 1.848
119 2HH1 ARG 16 2HH1 ARG 16 -7.800 -12.977 2.329
120 1HH2 ARG 16 1HH2 ARG 16 -5.844 -15.449 0.957
121 2HH2 ARG 16 2HH2 ARG 16 -7.300 -15.072 1.842
122 H ARG 17 H ARG 17 -4.611 -9.680 -1.692
123 HA ARG 17 HA ARG 17 -5.404 -8.325 -4.219
124 1HB ARG 17 1HB ARG 17 -7.728 -8.005 -3.373
125 2HB ARG 17 2HB ARG 17 -7.350 -9.688 -3.745
126 1HG ARG 17 1HG ARG 17 -7.034 -10.165 -1.322
127 2HG ARG 17 2HG ARG 17 -7.351 -8.472 -0.938
128 1HD ARG 17 1HD ARG 17 -9.351 -9.778 -0.513
129 2HD ARG 17 2HD ARG 17 -9.635 -8.681 -1.860
130 HE ARG 17 HE ARG 17 -9.946 -10.485 -3.277
131 1HH1 ARG 17 1HH1 ARG 17 -10.181 -12.579 -3.896
132 2HH1 ARG 17 2HH1 ARG 17 -9.624 -13.863 -2.862
133 1HH2 ARG 17 1HH2 ARG 17 -8.454 -11.802 -0.389
134 2HH2 ARG 17 2HH2 ARG 17 -8.685 -13.445 -0.932
135 H ASP 18 H ASP 18 -6.173 -6.085 -3.807
136 HA ASP 18 HA ASP 18 -4.280 -4.739 -2.096
137 1HB ASP 18 1HB ASP 18 -6.774 -3.557 -3.370
138 2HB ASP 18 2HB ASP 18 -5.342 -2.686 -2.797
139 H SER 19 H SER 19 -7.479 -5.893 -1.516
140 HA SER 19 HA SER 19 -8.245 -4.303 0.761
141 1HB SER 19 1HB SER 19 -9.044 -7.178 0.183
142 2HB SER 19 2HB SER 19 -9.936 -5.984 1.135
143 HG SER 19 HG SER 19 -10.228 -4.768 -0.799
144 H ASP 20 H ASP 20 -5.923 -6.815 0.422
145 HA ASP 20 HA ASP 20 -5.846 -7.739 3.213
146 1HB ASP 20 1HB ASP 20 -3.924 -7.931 0.881
147 2HB ASP 20 2HB ASP 20 -3.616 -8.724 2.386
148 H CYS 21 H CYS 21 -4.838 -4.831 1.715
149 HA CYS 21 HA CYS 21 -2.548 -4.483 3.583
150 1HB CYS 21 1HB CYS 21 -3.006 -3.227 0.871
151 2HB CYS 21 2HB CYS 21 -1.549 -3.129 1.863
152 HA PRO 22 HA PRO 22 -4.319 -0.806 5.428
153 1HB PRO 22 1HB PRO 22 -1.539 0.332 5.118
154 2HB PRO 22 2HB PRO 22 -2.612 0.367 6.548
155 1HG PRO 22 1HG PRO 22 -0.616 -1.449 6.436
156 2HG PRO 22 2HG PRO 22 -2.243 -1.952 6.986
157 1HD PRO 22 1HD PRO 22 -0.982 -2.334 4.264
158 2HD PRO 22 2HD PRO 22 -1.918 -3.478 5.268
159 H GLY 23 H GLY 23 -4.417 1.577 5.246
160 1HA GLY 23 1HA GLY 23 -4.729 3.600 4.124
161 2HA GLY 23 2HA GLY 23 -5.912 2.546 3.377
162 H ALA 24 H ALA 24 -2.525 3.648 2.966
163 HA ALA 24 HA ALA 24 -3.077 4.328 0.137
164 1HB ALA 24 1HB ALA 24 -2.038 5.949 1.691
165 2HB ALA 24 2HB ALA 24 -0.991 5.587 0.306
166 3HB ALA 24 3HB ALA 24 -0.641 4.856 1.880
167 H CYS 25 H CYS 25 -2.102 1.502 1.539
168 HA CYS 25 HA CYS 25 0.120 0.808 -0.223
169 1HB CYS 25 1HB CYS 25 -1.651 -1.005 1.433
170 2HB CYS 25 2HB CYS 25 -0.084 -1.387 0.734
171 H ILE 26 H ILE 26 -0.017 -1.118 -1.506
172 HA ILE 26 HA ILE 26 -2.601 -1.991 -2.697
173 HB ILE 26 HB ILE 26 -1.429 -2.198 -4.904
174 1HG1 ILE 26 1HG1 ILE 26 0.652 -0.243 -3.859
175 2HG1 ILE 26 2HG1 ILE 26 0.932 -1.969 -3.863
176 1HG2 ILE 26 1HG2 ILE 26 -2.987 -0.344 -4.437
177 2HG2 ILE 26 2HG2 ILE 26 -1.634 0.645 -3.849
178 3HG2 ILE 26 3HG2 ILE 26 -1.704 0.155 -5.551
179 1HD1 ILE 26 1HD1 ILE 26 0.320 -0.335 -6.355
180 2HD1 ILE 26 2HD1 ILE 26 1.910 -0.903 -5.841
181 3HD1 ILE 26 3HD1 ILE 26 0.669 -2.092 -6.289
182 H CYS 27 H CYS 27 -2.329 -4.138 -3.713
183 HA CYS 27 HA CYS 27 -0.275 -5.815 -2.333
184 1HB CYS 27 1HB CYS 27 -2.601 -6.534 -2.127
185 2HB CYS 27 2HB CYS 27 -2.759 -6.621 -3.893
186 H ARG 28 H ARG 28 1.557 -5.820 -3.420
187 HA ARG 28 HA ARG 28 1.703 -4.999 -6.223
188 1HB ARG 28 1HB ARG 28 3.834 -5.630 -4.128
189 2HB ARG 28 2HB ARG 28 4.158 -4.933 -5.725
190 1HG ARG 28 1HG ARG 28 2.672 -3.035 -5.208
191 2HG ARG 28 2HG ARG 28 2.374 -3.677 -3.583
192 1HD ARG 28 1HD ARG 28 5.025 -2.717 -4.658
193 2HD ARG 28 2HD ARG 28 3.928 -1.844 -3.564
194 HE ARG 28 HE ARG 28 4.274 -4.084 -2.123
195 1HH1 ARG 28 1HH1 ARG 28 5.724 -4.469 -0.569
196 2HH1 ARG 28 2HH1 ARG 28 7.405 -4.055 -0.813
197 1HH2 ARG 28 1HH2 ARG 28 6.854 -2.364 -3.751
198 2HH2 ARG 28 2HH2 ARG 28 8.027 -2.849 -2.555
199 H GLY 29 H GLY 29 3.440 -6.083 -7.546
200 1HA GLY 29 1HA GLY 29 3.733 -7.793 -9.108
201 2HA GLY 29 2HA GLY 29 2.346 -8.614 -8.394
202 H ASN 30 H ASN 30 4.888 -7.891 -6.243
203 HA ASN 30 HA ASN 30 6.317 -10.452 -6.401
204 1HB ASN 30 1HB ASN 30 7.574 -9.646 -4.517
205 2HB ASN 30 2HB ASN 30 7.432 -8.351 -5.703
206 2HD2 ASN 30 2HD2 ASN 30 8.213 -7.582 -3.239
207 1HD2 ASN 30 1HD2 ASN 30 6.867 -6.810 -2.409
208 H GLY 31 H GLY 31 3.295 -9.582 -5.064
209 1HA GLY 31 1HA GLY 31 3.105 -12.145 -3.569
210 2HA GLY 31 2HA GLY 31 1.780 -11.099 -4.061
211 H TYR 32 H TYR 32 3.531 -8.772 -2.810
212 HA TYR 32 HA TYR 32 2.567 -9.138 0.002
213 1HB TYR 32 1HB TYR 32 5.165 -7.960 -0.956
214 2HB TYR 32 2HB TYR 32 4.618 -7.893 0.703
215 HD1 TYR 32 HD1 TYR 32 4.999 -9.700 2.203
216 HD2 TYR 32 HD2 TYR 32 5.898 -10.146 -1.977
217 HE1 TYR 32 HE1 TYR 32 6.374 -11.720 2.718
218 HE2 TYR 32 HE2 TYR 32 7.213 -12.197 -1.483
219 HH TYR 32 HH TYR 32 7.996 -13.611 0.144
220 H CYS 33 H CYS 33 2.226 -7.182 1.168
221 HA CYS 33 HA CYS 33 0.986 -5.049 -0.304
222 1HB CYS 33 1HB CYS 33 1.843 -5.307 2.597
223 2HB CYS 33 2HB CYS 33 0.863 -3.985 1.973
224 H GLY 34 H GLY 34 1.573 -2.824 -0.342
225 1HA GLY 34 1HA GLY 34 4.383 -2.070 -0.573
226 2HA GLY 34 2HA GLY 34 3.697 -1.562 0.966
No H/Q in entry = 226
Start of MODEL 11
1 H SER 1 H SER 1 4.463 0.568 -0.911
2 HA SER 1 HA SER 1 1.966 1.937 -0.881
3 1HB SER 1 1HB SER 1 4.244 2.824 -0.150
4 2HB SER 1 2HB SER 1 4.553 3.163 -1.863
5 HG SER 1 HG SER 1 3.594 4.981 -1.088
6 H GLY 2 H GLY 2 0.516 2.322 -2.387
7 1HA GLY 2 1HA GLY 2 -0.357 2.010 -4.652
8 2HA GLY 2 2HA GLY 2 1.245 2.302 -5.302
9 H SER 3 H SER 3 1.025 4.503 -2.891
10 HA SER 3 HA SER 3 0.569 6.696 -2.623
11 1HB SER 3 1HB SER 3 0.856 6.867 -5.633
12 2HB SER 3 2HB SER 3 1.014 8.199 -4.481
13 HG SER 3 HG SER 3 2.802 7.108 -3.548
14 H ASP 4 H ASP 4 -1.799 4.889 -3.342
15 HA ASP 4 HA ASP 4 -3.681 6.302 -4.903
16 1HB ASP 4 1HB ASP 4 -3.670 3.867 -4.400
17 2HB ASP 4 2HB ASP 4 -4.160 4.214 -2.742
18 H GLY 5 H GLY 5 -3.053 6.592 -1.473
19 1HA GLY 5 1HA GLY 5 -5.282 7.537 -0.259
20 2HA GLY 5 2HA GLY 5 -4.847 8.942 -1.230
21 H GLY 6 H GLY 6 -1.876 8.144 -0.755
22 1HA GLY 6 1HA GLY 6 -1.470 8.368 2.133
23 2HA GLY 6 2HA GLY 6 -0.968 9.798 1.216
24 H VAL 7 H VAL 7 0.756 8.188 2.732
25 HA VAL 7 HA VAL 7 2.485 6.761 0.726
26 HB VAL 7 HB VAL 7 3.358 8.199 3.271
27 1HG1 VAL 7 1HG1 VAL 7 4.973 6.738 1.124
28 2HG1 VAL 7 2HG1 VAL 7 5.656 7.723 2.435
29 3HG1 VAL 7 3HG1 VAL 7 4.791 6.238 2.819
30 1HG2 VAL 7 1HG2 VAL 7 3.807 8.886 0.333
31 2HG2 VAL 7 2HG2 VAL 7 2.817 9.806 1.487
32 3HG2 VAL 7 3HG2 VAL 7 4.563 9.709 1.714
33 H CYS 8 H CYS 8 2.377 4.585 1.013
34 HA CYS 8 HA CYS 8 1.662 3.503 3.656
35 1HB CYS 8 1HB CYS 8 1.024 2.417 1.384
36 2HB CYS 8 2HB CYS 8 2.698 1.870 1.354
37 HA PRO 9 HA PRO 9 6.086 3.352 4.786
38 1HB PRO 9 1HB PRO 9 5.872 1.969 7.172
39 2HB PRO 9 2HB PRO 9 5.490 3.698 6.947
40 1HG PRO 9 1HG PRO 9 3.575 1.349 6.895
41 2HG PRO 9 2HG PRO 9 3.425 2.884 7.813
42 1HD PRO 9 1HD PRO 9 2.159 2.544 5.460
43 2HD PRO 9 2HD PRO 9 2.933 4.121 5.818
44 H LYS 10 H LYS 10 4.510 0.932 3.352
45 HA LYS 10 HA LYS 10 5.009 -1.113 2.431
46 1HB LYS 10 1HB LYS 10 7.839 -0.031 2.612
47 2HB LYS 10 2HB LYS 10 7.293 -1.357 1.577
48 1HG LYS 10 1HG LYS 10 5.719 0.199 0.439
49 2HG LYS 10 2HG LYS 10 6.367 1.542 1.389
50 1HD LYS 10 1HD LYS 10 8.005 -0.198 -0.504
51 2HD LYS 10 2HD LYS 10 7.316 1.381 -0.910
52 1HE LYS 10 1HE LYS 10 8.622 2.429 0.934
53 2HE LYS 10 2HE LYS 10 9.349 0.860 1.306
54 1HZ LYS 10 1HZ LYS 10 10.312 0.847 -0.934
55 2HZ LYS 10 2HZ LYS 10 9.645 2.301 -1.277
56 3HZ LYS 10 3HZ LYS 10 10.794 2.179 -0.124
57 H ILE 11 H ILE 11 4.227 -2.061 4.439
58 HA ILE 11 HA ILE 11 6.140 -3.462 6.155
59 HB ILE 11 HB ILE 11 4.133 -4.492 7.144
60 1HG1 ILE 11 1HG1 ILE 11 2.475 -2.786 5.221
61 2HG1 ILE 11 2HG1 ILE 11 2.675 -4.534 5.099
62 1HG2 ILE 11 1HG2 ILE 11 5.072 -2.298 7.904
63 2HG2 ILE 11 2HG2 ILE 11 3.874 -1.462 6.893
64 3HG2 ILE 11 3HG2 ILE 11 3.353 -2.478 8.254
65 1HD1 ILE 11 1HD1 ILE 11 1.663 -4.771 7.395
66 2HD1 ILE 11 2HD1 ILE 11 1.290 -3.032 7.345
67 3HD1 ILE 11 3HD1 ILE 11 0.574 -4.128 6.151
68 H LEU 12 H LEU 12 6.398 -5.645 6.264
69 HA LEU 12 HA LEU 12 6.427 -7.114 3.718
70 1HB LEU 12 1HB LEU 12 7.369 -7.970 6.477
71 2HB LEU 12 2HB LEU 12 7.680 -8.827 4.965
72 HG LEU 12 HG LEU 12 8.717 -6.038 5.644
73 1HD1 LEU 12 1HD1 LEU 12 9.776 -7.843 6.951
74 2HD1 LEU 12 2HD1 LEU 12 10.143 -8.722 5.451
75 3HD1 LEU 12 3HD1 LEU 12 10.902 -7.147 5.773
76 1HD2 LEU 12 1HD2 LEU 12 9.241 -7.837 3.234
77 2HD2 LEU 12 2HD2 LEU 12 8.428 -6.254 3.216
78 3HD2 LEU 12 3HD2 LEU 12 10.142 -6.353 3.623
79 H LYS 13 H LYS 13 3.800 -6.606 4.855
80 HA LYS 13 HA LYS 13 2.608 -9.150 5.686
81 1HB LYS 13 1HB LYS 13 1.712 -6.871 6.252
82 2HB LYS 13 2HB LYS 13 1.260 -6.656 4.553
83 1HG LYS 13 1HG LYS 13 -0.205 -8.686 4.730
84 2HG LYS 13 2HG LYS 13 0.288 -8.864 6.425
85 1HD LYS 13 1HD LYS 13 -0.644 -6.534 6.848
86 2HD LYS 13 2HD LYS 13 -1.282 -6.563 5.187
87 1HE LYS 13 1HE LYS 13 -2.481 -8.711 5.772
88 2HE LYS 13 2HE LYS 13 -1.918 -8.527 7.440
89 1HZ LYS 13 1HZ LYS 13 -3.134 -6.380 7.493
90 2HZ LYS 13 2HZ LYS 13 -3.682 -6.656 5.963
91 3HZ LYS 13 3HZ LYS 13 -4.145 -7.629 7.194
92 H LYS 14 H LYS 14 2.456 -10.838 4.337
93 HA LYS 14 HA LYS 14 2.555 -10.726 1.444
94 1HB LYS 14 1HB LYS 14 1.671 -12.914 3.385
95 2HB LYS 14 2HB LYS 14 1.746 -13.109 1.626
96 1HG LYS 14 1HG LYS 14 4.152 -12.657 1.625
97 2HG LYS 14 2HG LYS 14 4.127 -12.354 3.371
98 1HD LYS 14 1HD LYS 14 5.002 -14.548 3.015
99 2HD LYS 14 2HD LYS 14 3.401 -14.711 3.751
100 1HE LYS 14 1HE LYS 14 2.428 -15.185 1.507
101 2HE LYS 14 2HE LYS 14 4.024 -14.983 0.771
102 1HZ LYS 14 1HZ LYS 14 3.320 -17.071 2.767
103 2HZ LYS 14 2HZ LYS 14 3.517 -17.326 1.168
104 3HZ LYS 14 3HZ LYS 14 4.793 -16.888 2.084
105 H CYS 15 H CYS 15 0.933 -10.894 0.022
106 HA CYS 15 HA CYS 15 -1.938 -10.959 0.899
107 1HB CYS 15 1HB CYS 15 -2.462 -8.860 -0.228
108 2HB CYS 15 2HB CYS 15 -1.240 -8.615 0.991
109 H ARG 16 H ARG 16 -3.471 -10.852 -0.841
110 HA ARG 16 HA ARG 16 -2.624 -11.689 -3.591
111 1HB ARG 16 1HB ARG 16 -4.904 -12.931 -1.990
112 2HB ARG 16 2HB ARG 16 -4.582 -13.213 -3.705
113 1HG ARG 16 1HG ARG 16 -2.311 -14.112 -3.094
114 2HG ARG 16 2HG ARG 16 -2.764 -14.005 -1.385
115 1HD ARG 16 1HD ARG 16 -4.222 -15.620 -3.519
116 2HD ARG 16 2HD ARG 16 -3.073 -16.279 -2.342
117 HE ARG 16 HE ARG 16 -4.962 -15.010 -0.760
118 1HH1 ARG 16 1HH1 ARG 16 -6.751 -15.926 0.150
119 2HH1 ARG 16 2HH1 ARG 16 -7.450 -17.353 -0.564
120 1HH2 ARG 16 1HH2 ARG 16 -5.194 -17.575 -3.129
121 2HH2 ARG 16 2HH2 ARG 16 -6.607 -18.265 -2.372
122 H ARG 17 H ARG 17 -4.545 -9.709 -1.582
123 HA ARG 17 HA ARG 17 -6.048 -8.493 -3.890
124 1HB ARG 17 1HB ARG 17 -6.985 -8.671 -0.998
125 2HB ARG 17 2HB ARG 17 -7.922 -8.148 -2.392
126 1HG ARG 17 1HG ARG 17 -7.964 -10.451 -3.259
127 2HG ARG 17 2HG ARG 17 -6.955 -11.002 -1.906
128 1HD ARG 17 1HD ARG 17 -9.697 -9.739 -1.578
129 2HD ARG 17 2HD ARG 17 -9.373 -11.483 -1.588
130 HE ARG 17 HE ARG 17 -7.654 -10.327 0.371
131 1HH1 ARG 17 1HH1 ARG 17 -7.942 -10.336 2.381
132 2HH1 ARG 17 2HH1 ARG 17 -9.517 -10.618 3.143
133 1HH2 ARG 17 1HH2 ARG 17 -11.102 -10.888 0.062
134 2HH2 ARG 17 2HH2 ARG 17 -11.303 -10.920 1.798
135 H ASP 18 H ASP 18 -6.319 -6.192 -3.743
136 HA ASP 18 HA ASP 18 -4.371 -4.707 -2.165
137 1HB ASP 18 1HB ASP 18 -6.908 -3.639 -3.450
138 2HB ASP 18 2HB ASP 18 -5.496 -2.708 -2.916
139 H SER 19 H SER 19 -7.572 -5.891 -1.500
140 HA SER 19 HA SER 19 -8.277 -4.296 0.780
141 1HB SER 19 1HB SER 19 -9.102 -7.143 0.085
142 2HB SER 19 2HB SER 19 -9.929 -6.044 1.205
143 HG SER 19 HG SER 19 -10.926 -6.041 -0.855
144 H ASP 20 H ASP 20 -6.050 -6.959 0.394
145 HA ASP 20 HA ASP 20 -5.907 -7.799 3.187
146 1HB ASP 20 1HB ASP 20 -3.923 -7.916 0.907
147 2HB ASP 20 2HB ASP 20 -3.664 -8.742 2.404
148 H CYS 21 H CYS 21 -4.692 -5.015 1.475
149 HA CYS 21 HA CYS 21 -2.482 -4.590 3.396
150 1HB CYS 21 1HB CYS 21 -3.125 -3.347 0.700
151 2HB CYS 21 2HB CYS 21 -1.677 -3.033 1.650
152 HA PRO 22 HA PRO 22 -4.396 -1.075 5.322
153 1HB PRO 22 1HB PRO 22 -2.266 0.410 6.167
154 2HB PRO 22 2HB PRO 22 -2.641 -1.206 6.836
155 1HG PRO 22 1HG PRO 22 -0.667 -0.524 4.633
156 2HG PRO 22 2HG PRO 22 -0.375 -1.506 6.104
157 1HD PRO 22 1HD PRO 22 -0.972 -2.652 3.715
158 2HD PRO 22 2HD PRO 22 -1.619 -3.323 5.241
159 H GLY 23 H GLY 23 -4.762 1.155 5.178
160 1HA GLY 23 1HA GLY 23 -4.363 3.384 4.218
161 2HA GLY 23 2HA GLY 23 -5.755 2.599 3.506
162 H ALA 24 H ALA 24 -2.373 3.443 2.984
163 HA ALA 24 HA ALA 24 -2.961 4.093 0.173
164 1HB ALA 24 1HB ALA 24 -0.552 4.627 1.953
165 2HB ALA 24 2HB ALA 24 -0.806 5.290 0.324
166 3HB ALA 24 3HB ALA 24 -1.907 5.736 1.645
167 H CYS 25 H CYS 25 -1.709 1.302 1.631
168 HA CYS 25 HA CYS 25 0.197 0.633 -0.497
169 1HB CYS 25 1HB CYS 25 -0.957 -0.916 1.820
170 2HB CYS 25 2HB CYS 25 -0.187 -1.722 0.478
171 H ILE 26 H ILE 26 -0.058 -1.140 -1.797
172 HA ILE 26 HA ILE 26 -2.737 -2.144 -2.632
173 HB ILE 26 HB ILE 26 -1.793 -2.283 -4.959
174 1HG1 ILE 26 1HG1 ILE 26 0.284 -0.232 -4.142
175 2HG1 ILE 26 2HG1 ILE 26 0.660 -1.947 -4.133
176 1HG2 ILE 26 1HG2 ILE 26 -3.401 -0.531 -4.297
177 2HG2 ILE 26 2HG2 ILE 26 -2.065 0.549 -3.859
178 3HG2 ILE 26 3HG2 ILE 26 -2.296 0.050 -5.548
179 1HD1 ILE 26 1HD1 ILE 26 -0.340 -0.504 -6.606
180 2HD1 ILE 26 2HD1 ILE 26 1.358 -0.780 -6.206
181 3HD1 ILE 26 3HD1 ILE 26 0.298 -2.180 -6.479
182 H CYS 27 H CYS 27 -2.420 -4.293 -3.761
183 HA CYS 27 HA CYS 27 -0.250 -5.861 -2.457
184 1HB CYS 27 1HB CYS 27 -2.580 -6.664 -2.423
185 2HB CYS 27 2HB CYS 27 -2.531 -6.863 -4.184
186 H ARG 28 H ARG 28 1.606 -5.640 -3.433
187 HA ARG 28 HA ARG 28 1.987 -4.774 -6.175
188 1HB ARG 28 1HB ARG 28 3.926 -5.857 -4.075
189 2HB ARG 28 2HB ARG 28 4.426 -5.076 -5.563
190 1HG ARG 28 1HG ARG 28 2.764 -3.702 -3.399
191 2HG ARG 28 2HG ARG 28 4.518 -3.658 -3.465
192 1HD ARG 28 1HD ARG 28 2.736 -2.690 -5.725
193 2HD ARG 28 2HD ARG 28 3.345 -1.644 -4.435
194 HE ARG 28 HE ARG 28 5.677 -2.597 -5.249
195 1HH1 ARG 28 1HH1 ARG 28 7.024 -2.037 -6.884
196 2HH1 ARG 28 2HH1 ARG 28 6.375 -1.361 -8.351
197 1HH2 ARG 28 1HH2 ARG 28 3.101 -1.500 -7.366
198 2HH2 ARG 28 2HH2 ARG 28 4.227 -1.071 -8.626
199 H GLY 29 H GLY 29 3.653 -6.001 -7.487
200 1HA GLY 29 1HA GLY 29 3.825 -7.678 -9.109
201 2HA GLY 29 2HA GLY 29 2.334 -8.374 -8.478
202 H ASN 30 H ASN 30 4.850 -8.006 -6.203
203 HA ASN 30 HA ASN 30 5.985 -10.718 -6.495
204 1HB ASN 30 1HB ASN 30 7.530 -10.089 -4.818
205 2HB ASN 30 2HB ASN 30 7.370 -8.705 -5.896
206 2HD2 ASN 30 2HD2 ASN 30 8.400 -8.612 -3.188
207 1HD2 ASN 30 1HD2 ASN 30 7.265 -7.610 -2.290
208 H GLY 31 H GLY 31 3.135 -9.618 -5.084
209 1HA GLY 31 1HA GLY 31 2.821 -12.105 -3.515
210 2HA GLY 31 2HA GLY 31 1.578 -10.923 -3.899
211 H TYR 32 H TYR 32 3.411 -8.720 -2.813
212 HA TYR 32 HA TYR 32 2.644 -9.004 0.063
213 1HB TYR 32 1HB TYR 32 5.236 -8.026 -1.125
214 2HB TYR 32 2HB TYR 32 4.755 -7.617 0.502
215 HD1 TYR 32 HD1 TYR 32 5.833 -10.426 -1.702
216 HD2 TYR 32 HD2 TYR 32 5.022 -9.106 2.309
217 HE1 TYR 32 HE1 TYR 32 7.123 -12.361 -0.811
218 HE2 TYR 32 HE2 TYR 32 6.416 -10.970 3.217
219 HH TYR 32 HH TYR 32 7.954 -13.392 1.056
220 H CYS 33 H CYS 33 2.355 -6.976 1.157
221 HA CYS 33 HA CYS 33 1.074 -4.930 -0.416
222 1HB CYS 33 1HB CYS 33 1.971 -4.996 2.484
223 2HB CYS 33 2HB CYS 33 0.950 -3.741 1.778
224 H GLY 34 H GLY 34 1.725 -2.856 -0.949
225 1HA GLY 34 1HA GLY 34 4.333 -2.144 -1.628
226 2HA GLY 34 2HA GLY 34 4.144 -1.613 0.052
No H/Q in entry = 226
Start of MODEL 12
1 H SER 1 H SER 1 4.296 0.597 -0.654
2 HA SER 1 HA SER 1 1.969 2.104 -0.606
3 1HB SER 1 1HB SER 1 3.354 4.040 -0.975
4 2HB SER 1 2HB SER 1 4.192 2.895 0.078
5 HG SER 1 HG SER 1 5.534 2.325 -1.605
6 H GLY 2 H GLY 2 3.016 0.559 -3.421
7 1HA GLY 2 1HA GLY 2 1.107 1.906 -5.174
8 2HA GLY 2 2HA GLY 2 2.155 0.564 -5.577
9 H SER 3 H SER 3 4.505 2.239 -4.609
10 HA SER 3 HA SER 3 6.207 3.462 -5.419
11 1HB SER 3 1HB SER 3 4.932 3.218 -8.157
12 2HB SER 3 2HB SER 3 6.589 3.719 -7.797
13 HG SER 3 HG SER 3 6.596 1.555 -8.317
14 H ASP 4 H ASP 4 3.049 4.731 -5.881
15 HA ASP 4 HA ASP 4 3.697 7.430 -6.622
16 1HB ASP 4 1HB ASP 4 1.473 6.310 -6.831
17 2HB ASP 4 2HB ASP 4 1.322 6.320 -5.074
18 H GLY 5 H GLY 5 4.084 5.771 -3.609
19 1HA GLY 5 1HA GLY 5 5.219 8.107 -2.290
20 2HA GLY 5 2HA GLY 5 5.055 6.487 -1.619
21 H GLY 6 H GLY 6 2.053 6.634 -2.243
22 1HA GLY 6 1HA GLY 6 0.086 7.135 -1.136
23 2HA GLY 6 2HA GLY 6 0.803 8.679 -0.669
24 H VAL 7 H VAL 7 -0.643 8.119 1.215
25 HA VAL 7 HA VAL 7 1.014 7.423 3.465
26 HB VAL 7 HB VAL 7 -1.979 7.956 3.507
27 1HG1 VAL 7 1HG1 VAL 7 0.183 8.198 5.662
28 2HG1 VAL 7 2HG1 VAL 7 -1.516 8.684 5.838
29 3HG1 VAL 7 3HG1 VAL 7 -1.112 6.982 5.632
30 1HG2 VAL 7 1HG2 VAL 7 0.376 9.879 3.758
31 2HG2 VAL 7 2HG2 VAL 7 -0.838 9.862 2.460
32 3HG2 VAL 7 3HG2 VAL 7 -1.321 10.281 4.100
33 H CYS 8 H CYS 8 1.624 5.292 3.034
34 HA CYS 8 HA CYS 8 -0.322 3.319 4.145
35 1HB CYS 8 1HB CYS 8 0.202 2.616 1.875
36 2HB CYS 8 2HB CYS 8 1.927 2.743 2.186
37 HA PRO 9 HA PRO 9 2.927 3.260 7.388
38 1HB PRO 9 1HB PRO 9 1.627 1.646 9.171
39 2HB PRO 9 2HB PRO 9 1.274 3.386 8.977
40 1HG PRO 9 1HG PRO 9 -0.221 1.041 7.784
41 2HG PRO 9 2HG PRO 9 -0.893 2.487 8.600
42 1HD PRO 9 1HD PRO 9 -0.733 2.243 5.879
43 2HD PRO 9 2HD PRO 9 -0.553 3.831 6.683
44 H LYS 10 H LYS 10 4.358 2.229 6.085
45 HA LYS 10 HA LYS 10 4.193 -0.108 4.670
46 1HB LYS 10 1HB LYS 10 6.690 1.125 5.893
47 2HB LYS 10 2HB LYS 10 6.696 -0.118 4.635
48 1HG LYS 10 1HG LYS 10 5.383 1.384 3.140
49 2HG LYS 10 2HG LYS 10 5.474 2.669 4.353
50 1HD LYS 10 1HD LYS 10 7.887 1.365 3.019
51 2HD LYS 10 2HD LYS 10 7.144 2.889 2.514
52 1HE LYS 10 1HE LYS 10 7.599 3.859 4.762
53 2HE LYS 10 2HE LYS 10 8.390 2.355 5.249
54 1HZ LYS 10 1HZ LYS 10 9.295 4.110 3.029
55 2HZ LYS 10 2HZ LYS 10 10.008 3.992 4.491
56 3HZ LYS 10 3HZ LYS 10 10.024 2.718 3.475
57 H ILE 11 H ILE 11 4.120 -2.130 4.971
58 HA ILE 11 HA ILE 11 5.388 -3.543 7.244
59 HB ILE 11 HB ILE 11 3.250 -4.989 7.366
60 1HG1 ILE 11 1HG1 ILE 11 1.115 -3.936 7.029
61 2HG1 ILE 11 2HG1 ILE 11 1.841 -2.461 6.411
62 1HG2 ILE 11 1HG2 ILE 11 4.088 -3.534 9.168
63 2HG2 ILE 11 2HG2 ILE 11 3.163 -2.172 8.499
64 3HG2 ILE 11 3HG2 ILE 11 2.321 -3.601 9.124
65 1HD1 ILE 11 1HD1 ILE 11 2.120 -5.138 5.004
66 2HD1 ILE 11 2HD1 ILE 11 0.800 -4.001 4.692
67 3HD1 ILE 11 3HD1 ILE 11 2.468 -3.521 4.351
68 H LEU 12 H LEU 12 5.289 -5.956 6.907
69 HA LEU 12 HA LEU 12 5.776 -6.667 4.037
70 1HB LEU 12 1HB LEU 12 7.128 -7.742 6.544
71 2HB LEU 12 2HB LEU 12 7.273 -8.426 4.929
72 HG LEU 12 HG LEU 12 8.096 -6.078 4.174
73 1HD1 LEU 12 1HD1 LEU 12 8.681 -5.930 7.171
74 2HD1 LEU 12 2HD1 LEU 12 9.422 -4.898 5.929
75 3HD1 LEU 12 3HD1 LEU 12 7.696 -4.782 6.239
76 1HD2 LEU 12 1HD2 LEU 12 9.474 -8.114 4.234
77 2HD2 LEU 12 2HD2 LEU 12 10.406 -6.707 4.757
78 3HD2 LEU 12 3HD2 LEU 12 9.796 -7.863 5.965
79 H LYS 13 H LYS 13 3.192 -6.695 5.156
80 HA LYS 13 HA LYS 13 2.272 -9.411 5.670
81 1HB LYS 13 1HB LYS 13 0.792 -7.005 4.516
82 2HB LYS 13 2HB LYS 13 0.057 -8.535 4.980
83 1HG LYS 13 1HG LYS 13 0.777 -8.165 7.348
84 2HG LYS 13 2HG LYS 13 1.489 -6.620 6.869
85 1HD LYS 13 1HD LYS 13 -0.639 -6.071 7.766
86 2HD LYS 13 2HD LYS 13 -0.814 -5.926 6.010
87 1HE LYS 13 1HE LYS 13 -1.726 -8.329 6.033
88 2HE LYS 13 2HE LYS 13 -1.716 -8.233 7.798
89 1HZ LYS 13 1HZ LYS 13 -3.218 -6.259 7.546
90 2HZ LYS 13 2HZ LYS 13 -3.286 -6.553 5.923
91 3HZ LYS 13 3HZ LYS 13 -3.883 -7.641 6.980
92 H LYS 14 H LYS 14 2.185 -11.023 4.282
93 HA LYS 14 HA LYS 14 2.522 -10.794 1.381
94 1HB LYS 14 1HB LYS 14 1.582 -13.085 3.177
95 2HB LYS 14 2HB LYS 14 1.719 -13.198 1.417
96 1HG LYS 14 1HG LYS 14 4.124 -12.701 1.532
97 2HG LYS 14 2HG LYS 14 4.031 -12.590 3.305
98 1HD LYS 14 1HD LYS 14 3.284 -14.955 3.412
99 2HD LYS 14 2HD LYS 14 3.364 -15.062 1.640
100 1HE LYS 14 1HE LYS 14 5.790 -14.529 1.720
101 2HE LYS 14 2HE LYS 14 5.711 -14.428 3.484
102 1HZ LYS 14 1HZ LYS 14 5.065 -16.781 3.524
103 2HZ LYS 14 2HZ LYS 14 5.142 -16.876 1.892
104 3HZ LYS 14 3HZ LYS 14 6.497 -16.606 2.761
105 H CYS 15 H CYS 15 0.898 -10.935 -0.107
106 HA CYS 15 HA CYS 15 -1.978 -10.909 0.788
107 1HB CYS 15 1HB CYS 15 -2.426 -8.844 -0.418
108 2HB CYS 15 2HB CYS 15 -1.178 -8.599 0.772
109 H ARG 16 H ARG 16 -3.531 -10.858 -0.910
110 HA ARG 16 HA ARG 16 -2.734 -11.891 -3.618
111 1HB ARG 16 1HB ARG 16 -5.004 -13.001 -1.908
112 2HB ARG 16 2HB ARG 16 -4.707 -13.399 -3.603
113 1HG ARG 16 1HG ARG 16 -2.449 -14.314 -2.963
114 2HG ARG 16 2HG ARG 16 -2.840 -13.995 -1.265
115 1HD ARG 16 1HD ARG 16 -3.279 -16.298 -1.663
116 2HD ARG 16 2HD ARG 16 -4.840 -15.481 -1.473
117 HE ARG 16 HE ARG 16 -4.127 -15.592 -4.261
118 1HH1 ARG 16 1HH1 ARG 16 -5.074 -16.996 -5.671
119 2HH1 ARG 16 2HH1 ARG 16 -5.866 -18.427 -5.070
120 1HH2 ARG 16 1HH2 ARG 16 -5.230 -17.776 -1.763
121 2HH2 ARG 16 2HH2 ARG 16 -5.960 -18.866 -2.918
122 H ARG 17 H ARG 17 -4.520 -9.678 -1.774
123 HA ARG 17 HA ARG 17 -5.794 -8.468 -4.174
124 1HB ARG 17 1HB ARG 17 -7.957 -8.206 -2.926
125 2HB ARG 17 2HB ARG 17 -7.584 -9.895 -3.293
126 1HG ARG 17 1HG ARG 17 -6.798 -10.285 -1.024
127 2HG ARG 17 2HG ARG 17 -6.964 -8.568 -0.623
128 1HD ARG 17 1HD ARG 17 -9.426 -8.788 -0.920
129 2HD ARG 17 2HD ARG 17 -9.199 -10.533 -1.182
130 HE ARG 17 HE ARG 17 -7.777 -9.918 1.163
131 1HH1 ARG 17 1HH1 ARG 17 -8.415 -10.159 3.162
132 2HH1 ARG 17 2HH1 ARG 17 -10.112 -10.210 3.593
133 1HH2 ARG 17 1HH2 ARG 17 -11.182 -9.808 0.332
134 2HH2 ARG 17 2HH2 ARG 17 -11.664 -10.003 1.999
135 H ASP 18 H ASP 18 -6.484 -6.215 -3.726
136 HA ASP 18 HA ASP 18 -4.402 -4.839 -2.247
137 1HB ASP 18 1HB ASP 18 -6.973 -3.713 -3.417
138 2HB ASP 18 2HB ASP 18 -5.555 -2.785 -2.904
139 H SER 19 H SER 19 -7.540 -5.927 -1.340
140 HA SER 19 HA SER 19 -8.006 -4.174 0.947
141 1HB SER 19 1HB SER 19 -9.155 -6.912 0.291
142 2HB SER 19 2HB SER 19 -9.717 -5.852 1.590
143 HG SER 19 HG SER 19 -9.652 -5.108 -1.168
144 H ASP 20 H ASP 20 -5.850 -6.820 0.486
145 HA ASP 20 HA ASP 20 -5.623 -7.713 3.256
146 1HB ASP 20 1HB ASP 20 -3.837 -7.842 0.816
147 2HB ASP 20 2HB ASP 20 -3.398 -8.629 2.288
148 H CYS 21 H CYS 21 -4.674 -4.816 1.677
149 HA CYS 21 HA CYS 21 -2.342 -4.389 3.468
150 1HB CYS 21 1HB CYS 21 -3.033 -3.124 0.801
151 2HB CYS 21 2HB CYS 21 -1.521 -2.952 1.696
152 HA PRO 22 HA PRO 22 -4.424 -0.941 5.350
153 1HB PRO 22 1HB PRO 22 -2.407 0.273 6.695
154 2HB PRO 22 2HB PRO 22 -2.916 -1.401 7.070
155 1HG PRO 22 1HG PRO 22 -0.606 -0.513 5.313
156 2HG PRO 22 2HG PRO 22 -0.583 -1.712 6.643
157 1HD PRO 22 1HD PRO 22 -0.865 -2.424 4.004
158 2HD PRO 22 2HD PRO 22 -1.644 -3.337 5.332
159 H GLY 23 H GLY 23 -4.575 1.363 5.468
160 1HA GLY 23 1HA GLY 23 -3.105 3.418 4.455
161 2HA GLY 23 2HA GLY 23 -4.863 3.422 4.474
162 H ALA 24 H ALA 24 -2.252 3.870 2.565
163 HA ALA 24 HA ALA 24 -3.817 3.777 0.066
164 1HB ALA 24 1HB ALA 24 -2.658 5.847 0.859
165 2HB ALA 24 2HB ALA 24 -2.126 5.318 -0.747
166 3HB ALA 24 3HB ALA 24 -1.099 5.005 0.666
167 H CYS 25 H CYS 25 -1.821 1.495 1.492
168 HA CYS 25 HA CYS 25 -0.102 0.802 -0.708
169 1HB CYS 25 1HB CYS 25 -1.067 -0.740 1.711
170 2HB CYS 25 2HB CYS 25 -0.208 -1.516 0.410
171 H ILE 26 H ILE 26 -0.167 -1.106 -1.865
172 HA ILE 26 HA ILE 26 -2.801 -2.236 -2.726
173 HB ILE 26 HB ILE 26 -1.918 -2.400 -5.024
174 1HG1 ILE 26 1HG1 ILE 26 0.307 -0.469 -4.298
175 2HG1 ILE 26 2HG1 ILE 26 0.564 -2.209 -4.278
176 1HG2 ILE 26 1HG2 ILE 26 -3.391 -0.516 -4.354
177 2HG2 ILE 26 2HG2 ILE 26 -1.956 0.488 -4.055
178 3HG2 ILE 26 3HG2 ILE 26 -2.313 -0.097 -5.693
179 1HD1 ILE 26 1HD1 ILE 26 -0.091 -2.394 -6.642
180 2HD1 ILE 26 2HD1 ILE 26 -0.260 -0.611 -6.715
181 3HD1 ILE 26 3HD1 ILE 26 1.313 -1.358 -6.393
182 H CYS 27 H CYS 27 -2.450 -4.367 -3.840
183 HA CYS 27 HA CYS 27 -0.316 -5.942 -2.506
184 1HB CYS 27 1HB CYS 27 -2.639 -6.760 -2.549
185 2HB CYS 27 2HB CYS 27 -2.568 -6.883 -4.315
186 H ARG 28 H ARG 28 1.579 -5.757 -3.428
187 HA ARG 28 HA ARG 28 2.043 -4.796 -6.128
188 1HB ARG 28 1HB ARG 28 3.960 -5.932 -4.040
189 2HB ARG 28 2HB ARG 28 4.446 -4.997 -5.445
190 1HG ARG 28 1HG ARG 28 2.644 -3.865 -3.258
191 2HG ARG 28 2HG ARG 28 4.388 -3.815 -3.163
192 1HD ARG 28 1HD ARG 28 3.107 -2.762 -5.673
193 2HD ARG 28 2HD ARG 28 2.933 -1.820 -4.185
194 HE ARG 28 HE ARG 28 5.625 -2.329 -4.220
195 1HH1 ARG 28 1HH1 ARG 28 7.113 -0.777 -4.818
196 2HH1 ARG 28 2HH1 ARG 28 6.669 0.338 -6.101
197 1HH2 ARG 28 1HH2 ARG 28 3.638 -0.951 -6.777
198 2HH2 ARG 28 2HH2 ARG 28 4.864 0.269 -7.102
199 H GLY 29 H GLY 29 3.799 -5.964 -7.395
200 1HA GLY 29 1HA GLY 29 4.071 -7.594 -9.048
201 2HA GLY 29 2HA GLY 29 2.571 -8.337 -8.497
202 H ASN 30 H ASN 30 5.003 -7.965 -6.119
203 HA ASN 30 HA ASN 30 6.181 -10.657 -6.433
204 1HB ASN 30 1HB ASN 30 7.700 -10.035 -4.743
205 2HB ASN 30 2HB ASN 30 7.521 -8.619 -5.774
206 2HD2 ASN 30 2HD2 ASN 30 8.484 -8.700 -2.992
207 1HD2 ASN 30 1HD2 ASN 30 7.337 -7.711 -2.097
208 H GLY 31 H GLY 31 3.287 -9.634 -5.090
209 1HA GLY 31 1HA GLY 31 2.985 -12.135 -3.545
210 2HA GLY 31 2HA GLY 31 1.724 -10.983 -3.966
211 H TYR 32 H TYR 32 3.515 -8.760 -2.795
212 HA TYR 32 HA TYR 32 2.621 -9.060 0.044
213 1HB TYR 32 1HB TYR 32 5.250 -8.067 -1.043
214 2HB TYR 32 2HB TYR 32 4.703 -7.628 0.554
215 HD1 TYR 32 HD1 TYR 32 5.912 -10.466 -1.539
216 HD2 TYR 32 HD2 TYR 32 4.882 -9.086 2.404
217 HE1 TYR 32 HE1 TYR 32 7.229 -12.336 -0.535
218 HE2 TYR 32 HE2 TYR 32 6.282 -10.871 3.416
219 HH TYR 32 HH TYR 32 7.731 -12.613 2.998
220 H CYS 33 H CYS 33 2.314 -7.011 1.135
221 HA CYS 33 HA CYS 33 1.009 -4.996 -0.468
222 1HB CYS 33 1HB CYS 33 1.891 -5.094 2.430
223 2HB CYS 33 2HB CYS 33 0.898 -3.800 1.748
224 H GLY 34 H GLY 34 1.599 -2.825 -0.905
225 1HA GLY 34 1HA GLY 34 4.237 -2.055 -1.473
226 2HA GLY 34 2HA GLY 34 3.948 -1.569 0.204
No H/Q in entry = 226
Start of MODEL 13
1 H SER 1 H SER 1 4.298 0.758 -0.441
2 HA SER 1 HA SER 1 1.948 2.172 -0.724
3 1HB SER 1 1HB SER 1 4.680 3.025 -1.735
4 2HB SER 1 2HB SER 1 3.307 4.083 -1.351
5 HG SER 1 HG SER 1 4.525 4.060 0.464
6 H GLY 2 H GLY 2 0.477 2.416 -2.306
7 1HA GLY 2 1HA GLY 2 -0.288 1.963 -4.608
8 2HA GLY 2 2HA GLY 2 1.320 2.306 -5.196
9 H SER 3 H SER 3 0.270 4.470 -2.718
10 HA SER 3 HA SER 3 0.236 6.711 -4.625
11 1HB SER 3 1HB SER 3 -2.160 5.994 -4.445
12 2HB SER 3 2HB SER 3 -2.069 6.217 -2.692
13 HG SER 3 HG SER 3 -1.963 8.154 -4.763
14 H ASP 4 H ASP 4 0.591 8.720 -3.628
15 HA ASP 4 HA ASP 4 1.909 8.753 -0.978
16 1HB ASP 4 1HB ASP 4 2.818 9.936 -2.997
17 2HB ASP 4 2HB ASP 4 1.393 10.972 -2.996
18 H GLY 5 H GLY 5 -1.269 9.048 -2.116
19 1HA GLY 5 1HA GLY 5 -3.225 9.997 -1.416
20 2HA GLY 5 2HA GLY 5 -2.293 11.264 -0.630
21 H GLY 6 H GLY 6 -1.208 8.507 0.820
22 1HA GLY 6 1HA GLY 6 -3.220 7.567 2.571
23 2HA GLY 6 2HA GLY 6 -2.498 8.997 3.319
24 H VAL 7 H VAL 7 -2.253 6.800 4.731
25 HA VAL 7 HA VAL 7 0.621 6.437 4.924
26 HB VAL 7 HB VAL 7 0.106 5.106 6.935
27 1HG1 VAL 7 1HG1 VAL 7 0.400 7.555 7.042
28 2HG1 VAL 7 2HG1 VAL 7 -1.354 7.776 6.846
29 3HG1 VAL 7 3HG1 VAL 7 -0.711 6.959 8.285
30 1HG2 VAL 7 1HG2 VAL 7 -2.090 4.125 6.368
31 2HG2 VAL 7 2HG2 VAL 7 -2.161 5.037 7.874
32 3HG2 VAL 7 3HG2 VAL 7 -2.832 5.741 6.393
33 H CYS 8 H CYS 8 1.823 4.772 4.512
34 HA CYS 8 HA CYS 8 0.768 2.070 4.324
35 1HB CYS 8 1HB CYS 8 0.542 2.681 1.980
36 2HB CYS 8 2HB CYS 8 2.246 3.169 1.909
37 HA PRO 9 HA PRO 9 4.730 2.176 6.505
38 1HB PRO 9 1HB PRO 9 4.476 -0.013 8.074
39 2HB PRO 9 2HB PRO 9 3.447 1.429 8.284
40 1HG PRO 9 1HG PRO 9 2.767 -1.093 6.724
41 2HG PRO 9 2HG PRO 9 1.804 -0.306 8.017
42 1HD PRO 9 1HD PRO 9 1.362 0.166 5.370
43 2HD PRO 9 2HD PRO 9 1.180 1.463 6.591
44 H LYS 10 H LYS 10 4.054 0.149 3.964
45 HA LYS 10 HA LYS 10 5.114 -1.499 2.744
46 1HB LYS 10 1HB LYS 10 7.584 0.074 3.572
47 2HB LYS 10 2HB LYS 10 7.459 -1.024 2.194
48 1HG LYS 10 1HG LYS 10 5.759 0.464 1.157
49 2HG LYS 10 2HG LYS 10 5.942 1.599 2.514
50 1HD LYS 10 1HD LYS 10 8.379 1.797 1.997
51 2HD LYS 10 2HD LYS 10 8.158 0.719 0.603
52 1HE LYS 10 1HE LYS 10 6.549 2.336 -0.380
53 2HE LYS 10 2HE LYS 10 6.768 3.401 1.014
54 1HZ LYS 10 1HZ LYS 10 9.118 3.620 0.396
55 2HZ LYS 10 2HZ LYS 10 8.918 2.638 -0.896
56 3HZ LYS 10 3HZ LYS 10 8.170 4.089 -0.846
57 H ILE 11 H ILE 11 4.414 -2.647 4.900
58 HA ILE 11 HA ILE 11 6.581 -4.073 6.281
59 HB ILE 11 HB ILE 11 4.690 -5.304 7.388
60 1HG1 ILE 11 1HG1 ILE 11 2.878 -3.342 5.897
61 2HG1 ILE 11 2HG1 ILE 11 3.005 -5.067 5.561
62 1HG2 ILE 11 1HG2 ILE 11 5.794 -3.329 8.349
63 2HG2 ILE 11 2HG2 ILE 11 4.628 -2.269 7.544
64 3HG2 ILE 11 3HG2 ILE 11 4.095 -3.395 8.810
65 1HD1 ILE 11 1HD1 ILE 11 2.248 -5.524 7.929
66 2HD1 ILE 11 2HD1 ILE 11 1.943 -3.779 8.102
67 3HD1 ILE 11 3HD1 ILE 11 1.048 -4.716 6.896
68 H LEU 12 H LEU 12 6.648 -6.325 6.423
69 HA LEU 12 HA LEU 12 6.739 -7.704 3.841
70 1HB LEU 12 1HB LEU 12 7.447 -8.648 6.645
71 2HB LEU 12 2HB LEU 12 7.804 -9.524 5.157
72 HG LEU 12 HG LEU 12 8.953 -6.795 5.884
73 1HD1 LEU 12 1HD1 LEU 12 9.812 -8.635 7.284
74 2HD1 LEU 12 2HD1 LEU 12 10.228 -9.560 5.824
75 3HD1 LEU 12 3HD1 LEU 12 11.054 -8.025 6.179
76 1HD2 LEU 12 1HD2 LEU 12 9.539 -8.661 3.539
77 2HD2 LEU 12 2HD2 LEU 12 8.821 -7.035 3.444
78 3HD2 LEU 12 3HD2 LEU 12 10.493 -7.226 3.972
79 H LYS 13 H LYS 13 4.065 -7.128 5.260
80 HA LYS 13 HA LYS 13 2.747 -9.677 5.681
81 1HB LYS 13 1HB LYS 13 1.951 -7.479 6.549
82 2HB LYS 13 2HB LYS 13 1.538 -6.986 4.895
83 1HG LYS 13 1HG LYS 13 -0.059 -8.872 4.738
84 2HG LYS 13 2HG LYS 13 0.421 -9.424 6.357
85 1HD LYS 13 1HD LYS 13 -0.336 -7.184 7.263
86 2HD LYS 13 2HD LYS 13 -0.987 -6.801 5.663
87 1HE LYS 13 1HE LYS 13 -1.778 -9.198 7.392
88 2HE LYS 13 2HE LYS 13 -2.682 -7.684 7.288
89 1HZ LYS 13 1HZ LYS 13 -3.016 -8.096 4.929
90 2HZ LYS 13 2HZ LYS 13 -2.205 -9.526 5.007
91 3HZ LYS 13 3HZ LYS 13 -3.620 -9.340 5.807
92 H LYS 14 H LYS 14 2.569 -11.183 4.150
93 HA LYS 14 HA LYS 14 2.570 -10.650 1.302
94 1HB LYS 14 1HB LYS 14 1.973 -13.175 2.906
95 2HB LYS 14 2HB LYS 14 1.882 -13.080 1.141
96 1HG LYS 14 1HG LYS 14 4.262 -12.124 1.206
97 2HG LYS 14 2HG LYS 14 4.325 -12.638 2.891
98 1HD LYS 14 1HD LYS 14 5.406 -14.294 1.522
99 2HD LYS 14 2HD LYS 14 3.913 -14.987 2.145
100 1HE LYS 14 1HE LYS 14 4.330 -15.580 -0.220
101 2HE LYS 14 2HE LYS 14 2.811 -14.712 -0.009
102 1HZ LYS 14 1HZ LYS 14 5.326 -13.417 -0.916
103 2HZ LYS 14 2HZ LYS 14 4.151 -13.924 -1.926
104 3HZ LYS 14 3HZ LYS 14 3.840 -12.718 -0.868
105 H CYS 15 H CYS 15 0.947 -10.878 -0.109
106 HA CYS 15 HA CYS 15 -1.912 -10.970 0.850
107 1HB CYS 15 1HB CYS 15 -2.411 -8.895 -0.372
108 2HB CYS 15 2HB CYS 15 -1.211 -8.636 0.862
109 H ARG 16 H ARG 16 -3.471 -10.769 -0.957
110 HA ARG 16 HA ARG 16 -2.629 -11.809 -3.636
111 1HB ARG 16 1HB ARG 16 -5.026 -12.778 -2.011
112 2HB ARG 16 2HB ARG 16 -4.735 -13.177 -3.701
113 1HG ARG 16 1HG ARG 16 -2.926 -13.973 -1.382
114 2HG ARG 16 2HG ARG 16 -4.111 -15.003 -2.177
115 1HD ARG 16 1HD ARG 16 -2.905 -14.785 -4.326
116 2HD ARG 16 2HD ARG 16 -1.681 -13.773 -3.561
117 HE ARG 16 HE ARG 16 -1.981 -16.679 -3.350
118 1HH1 ARG 16 1HH1 ARG 16 -0.533 -17.883 -2.233
119 2HH1 ARG 16 2HH1 ARG 16 0.628 -17.119 -1.186
120 1HH2 ARG 16 1HH2 ARG 16 -0.440 -13.905 -1.817
121 2HH2 ARG 16 2HH2 ARG 16 0.640 -14.942 -0.914
122 H ARG 17 H ARG 17 -4.546 -9.601 -1.783
123 HA ARG 17 HA ARG 17 -5.315 -8.177 -4.272
124 1HB ARG 17 1HB ARG 17 -7.644 -7.836 -3.494
125 2HB ARG 17 2HB ARG 17 -7.294 -9.512 -3.913
126 1HG ARG 17 1HG ARG 17 -7.172 -10.137 -1.544
127 2HG ARG 17 2HG ARG 17 -7.290 -8.443 -1.049
128 1HD ARG 17 1HD ARG 17 -9.438 -9.527 -0.752
129 2HD ARG 17 2HD ARG 17 -9.550 -8.295 -2.021
130 HE ARG 17 HE ARG 17 -8.962 -10.900 -3.136
131 1HH1 ARG 17 1HH1 ARG 17 -10.465 -12.004 -4.317
132 2HH1 ARG 17 2HH1 ARG 17 -12.152 -11.591 -4.178
133 1HH2 ARG 17 1HH2 ARG 17 -11.682 -9.077 -1.898
134 2HH2 ARG 17 2HH2 ARG 17 -12.831 -9.979 -2.854
135 H ASP 18 H ASP 18 -6.174 -5.978 -3.800
136 HA ASP 18 HA ASP 18 -4.273 -4.628 -2.105
137 1HB ASP 18 1HB ASP 18 -6.813 -3.487 -3.319
138 2HB ASP 18 2HB ASP 18 -5.404 -2.582 -2.749
139 H SER 19 H SER 19 -7.435 -5.863 -1.477
140 HA SER 19 HA SER 19 -8.137 -4.296 0.851
141 1HB SER 19 1HB SER 19 -9.015 -7.128 0.191
142 2HB SER 19 2HB SER 19 -9.822 -5.975 1.267
143 HG SER 19 HG SER 19 -10.849 -5.945 -0.736
144 H ASP 20 H ASP 20 -5.818 -6.788 0.406
145 HA ASP 20 HA ASP 20 -5.693 -7.787 3.164
146 1HB ASP 20 1HB ASP 20 -3.779 -7.868 0.824
147 2HB ASP 20 2HB ASP 20 -3.460 -8.713 2.299
148 H CYS 21 H CYS 21 -4.764 -4.822 1.760
149 HA CYS 21 HA CYS 21 -2.517 -4.415 3.683
150 1HB CYS 21 1HB CYS 21 -2.890 -3.235 0.917
151 2HB CYS 21 2HB CYS 21 -1.466 -3.100 1.953
152 HA PRO 22 HA PRO 22 -4.753 -0.932 5.227
153 1HB PRO 22 1HB PRO 22 -2.838 0.511 6.517
154 2HB PRO 22 2HB PRO 22 -3.285 -1.148 7.013
155 1HG PRO 22 1HG PRO 22 -0.983 -0.299 5.231
156 2HG PRO 22 2HG PRO 22 -0.918 -1.363 6.672
157 1HD PRO 22 1HD PRO 22 -1.081 -2.388 4.152
158 2HD PRO 22 2HD PRO 22 -1.938 -3.149 5.524
159 H GLY 23 H GLY 23 -4.978 1.381 5.279
160 1HA GLY 23 1HA GLY 23 -3.749 3.520 4.390
161 2HA GLY 23 2HA GLY 23 -5.472 3.331 4.126
162 H ALA 24 H ALA 24 -2.421 3.667 2.689
163 HA ALA 24 HA ALA 24 -3.592 3.805 -0.056
164 1HB ALA 24 1HB ALA 24 -2.794 5.907 0.924
165 2HB ALA 24 2HB ALA 24 -1.827 5.449 -0.484
166 3HB ALA 24 3HB ALA 24 -1.170 5.194 1.145
167 H CYS 25 H CYS 25 -2.056 1.451 1.542
168 HA CYS 25 HA CYS 25 0.071 0.771 -0.317
169 1HB CYS 25 1HB CYS 25 -1.579 -1.004 1.499
170 2HB CYS 25 2HB CYS 25 -0.077 -1.434 0.688
171 H ILE 26 H ILE 26 -0.038 -1.084 -1.633
172 HA ILE 26 HA ILE 26 -2.631 -2.076 -2.712
173 HB ILE 26 HB ILE 26 -1.526 -2.265 -4.947
174 1HG1 ILE 26 1HG1 ILE 26 0.553 -0.260 -4.014
175 2HG1 ILE 26 2HG1 ILE 26 0.870 -1.982 -3.959
176 1HG2 ILE 26 1HG2 ILE 26 -3.095 -0.444 -4.463
177 2HG2 ILE 26 2HG2 ILE 26 -1.761 0.565 -3.865
178 3HG2 ILE 26 3HG2 ILE 26 -1.828 0.101 -5.577
179 1HD1 ILE 26 1HD1 ILE 26 0.134 -0.470 -6.495
180 2HD1 ILE 26 2HD1 ILE 26 1.760 -0.952 -6.006
181 3HD1 ILE 26 3HD1 ILE 26 0.555 -2.208 -6.365
182 H CYS 27 H CYS 27 -2.318 -4.208 -3.751
183 HA CYS 27 HA CYS 27 -0.204 -5.829 -2.395
184 1HB CYS 27 1HB CYS 27 -2.515 -6.615 -2.173
185 2HB CYS 27 2HB CYS 27 -2.677 -6.707 -3.940
186 H ARG 28 H ARG 28 1.613 -5.866 -3.510
187 HA ARG 28 HA ARG 28 1.700 -5.073 -6.332
188 1HB ARG 28 1HB ARG 28 3.865 -5.609 -4.244
189 2HB ARG 28 2HB ARG 28 4.165 -4.959 -5.870
190 1HG ARG 28 1HG ARG 28 2.641 -3.072 -5.403
191 2HG ARG 28 2HG ARG 28 2.364 -3.669 -3.760
192 1HD ARG 28 1HD ARG 28 4.984 -2.676 -4.874
193 2HD ARG 28 2HD ARG 28 3.872 -1.806 -3.794
194 HE ARG 28 HE ARG 28 4.282 -3.976 -2.286
195 1HH1 ARG 28 1HH1 ARG 28 6.827 -2.322 -4.035
196 2HH1 ARG 28 2HH1 ARG 28 8.021 -2.744 -2.837
197 1HH2 ARG 28 1HH2 ARG 28 5.768 -4.295 -0.740
198 2HH2 ARG 28 2HH2 ARG 28 7.441 -3.880 -1.038
199 H GLY 29 H GLY 29 3.520 -6.212 -7.614
200 1HA GLY 29 1HA GLY 29 3.769 -7.953 -9.150
201 2HA GLY 29 2HA GLY 29 2.311 -8.677 -8.475
202 H ASN 30 H ASN 30 4.856 -8.098 -6.293
203 HA ASN 30 HA ASN 30 6.079 -10.780 -6.352
204 1HB ASN 30 1HB ASN 30 7.421 -9.968 -4.508
205 2HB ASN 30 2HB ASN 30 7.403 -8.774 -5.803
206 2HD2 ASN 30 2HD2 ASN 30 8.258 -7.902 -3.384
207 1HD2 ASN 30 1HD2 ASN 30 7.000 -6.914 -2.649
208 H GLY 31 H GLY 31 3.125 -9.656 -5.122
209 1HA GLY 31 1HA GLY 31 2.673 -12.088 -3.548
210 2HA GLY 31 2HA GLY 31 1.526 -10.789 -3.862
211 H TYR 32 H TYR 32 3.286 -8.668 -2.837
212 HA TYR 32 HA TYR 32 2.740 -9.003 0.075
213 1HB TYR 32 1HB TYR 32 5.214 -7.901 -1.232
214 2HB TYR 32 2HB TYR 32 4.834 -7.604 0.445
215 HD1 TYR 32 HD1 TYR 32 6.041 -10.114 -1.983
216 HD2 TYR 32 HD2 TYR 32 5.171 -9.271 2.140
217 HE1 TYR 32 HE1 TYR 32 7.523 -11.993 -1.301
218 HE2 TYR 32 HE2 TYR 32 6.712 -11.119 2.842
219 HH TYR 32 HH TYR 32 8.470 -13.126 0.453
220 H CYS 33 H CYS 33 2.413 -7.029 1.199
221 HA CYS 33 HA CYS 33 1.056 -4.962 -0.275
222 1HB CYS 33 1HB CYS 33 2.050 -5.123 2.596
223 2HB CYS 33 2HB CYS 33 1.014 -3.839 1.975
224 H GLY 34 H GLY 34 1.607 -2.755 -0.492
225 1HA GLY 34 1HA GLY 34 4.369 -1.921 -0.859
226 2HA GLY 34 2HA GLY 34 3.748 -1.373 0.692
No H/Q in entry = 226
Start of MODEL 14
1 H SER 1 H SER 1 4.310 0.563 -1.598
2 HA SER 1 HA SER 1 1.973 2.068 -1.532
3 1HB SER 1 1HB SER 1 4.440 2.515 -3.250
4 2HB SER 1 2HB SER 1 3.191 3.730 -2.909
5 HG SER 1 HG SER 1 4.922 3.935 -1.475
6 H GLY 2 H GLY 2 0.383 2.706 -2.920
7 1HA GLY 2 1HA GLY 2 -0.771 1.462 -4.974
8 2HA GLY 2 2HA GLY 2 0.593 2.136 -5.842
9 H SER 3 H SER 3 -0.459 4.318 -3.398
10 HA SER 3 HA SER 3 -1.563 6.111 -5.467
11 1HB SER 3 1HB SER 3 -3.534 4.939 -4.575
12 2HB SER 3 2HB SER 3 -3.080 5.388 -2.925
13 HG SER 3 HG SER 3 -4.675 6.777 -3.985
14 H ASP 4 H ASP 4 -1.515 8.274 -4.909
15 HA ASP 4 HA ASP 4 0.421 9.151 -2.847
16 1HB ASP 4 1HB ASP 4 0.410 10.021 -5.202
17 2HB ASP 4 2HB ASP 4 -1.178 10.723 -4.906
18 H GLY 5 H GLY 5 -2.914 8.563 -2.959
19 1HA GLY 5 1HA GLY 5 -4.778 9.240 -1.811
20 2HA GLY 5 2HA GLY 5 -4.016 10.807 -1.576
21 H GLY 6 H GLY 6 -1.942 8.632 -0.156
22 1HA GLY 6 1HA GLY 6 -3.159 7.855 2.297
23 2HA GLY 6 2HA GLY 6 -2.428 9.452 2.514
24 H VAL 7 H VAL 7 -1.465 7.575 4.079
25 HA VAL 7 HA VAL 7 1.311 7.145 3.240
26 HB VAL 7 HB VAL 7 0.701 7.965 5.498
27 1HG1 VAL 7 1HG1 VAL 7 -1.327 6.593 5.938
28 2HG1 VAL 7 2HG1 VAL 7 -0.305 5.145 6.073
29 3HG1 VAL 7 3HG1 VAL 7 -0.126 6.476 7.230
30 1HG2 VAL 7 1HG2 VAL 7 2.875 6.836 5.073
31 2HG2 VAL 7 2HG2 VAL 7 2.302 6.690 6.741
32 3HG2 VAL 7 3HG2 VAL 7 2.164 5.305 5.649
33 H CYS 8 H CYS 8 2.310 5.195 3.133
34 HA CYS 8 HA CYS 8 0.765 2.681 3.375
35 1HB CYS 8 1HB CYS 8 0.723 2.931 1.013
36 2HB CYS 8 2HB CYS 8 2.447 3.346 0.945
37 HA PRO 9 HA PRO 9 4.745 1.891 5.538
38 1HB PRO 9 1HB PRO 9 3.825 0.067 7.333
39 2HB PRO 9 2HB PRO 9 3.603 1.826 7.556
40 1HG PRO 9 1HG PRO 9 1.607 -0.174 6.461
41 2HG PRO 9 2HG PRO 9 1.340 1.097 7.692
42 1HD PRO 9 1HD PRO 9 0.712 1.424 5.044
43 2HD PRO 9 2HD PRO 9 1.247 2.787 6.068
44 H LYS 10 H LYS 10 6.055 0.596 4.390
45 HA LYS 10 HA LYS 10 5.007 -1.479 2.597
46 1HB LYS 10 1HB LYS 10 7.864 -0.473 2.979
47 2HB LYS 10 2HB LYS 10 7.312 -1.616 1.757
48 1HG LYS 10 1HG LYS 10 7.250 0.276 0.497
49 2HG LYS 10 2HG LYS 10 5.594 0.285 1.108
50 1HD LYS 10 1HD LYS 10 6.401 1.872 2.946
51 2HD LYS 10 2HD LYS 10 7.967 1.929 2.128
52 1HE LYS 10 1HE LYS 10 6.996 2.920 0.162
53 2HE LYS 10 2HE LYS 10 5.356 2.518 0.697
54 1HZ LYS 10 1HZ LYS 10 7.098 4.472 2.088
55 2HZ LYS 10 2HZ LYS 10 5.869 4.861 1.082
56 3HZ LYS 10 3HZ LYS 10 5.550 4.076 2.482
57 H ILE 11 H ILE 11 4.224 -2.669 4.491
58 HA ILE 11 HA ILE 11 6.060 -4.238 6.092
59 HB ILE 11 HB ILE 11 3.990 -5.329 6.929
60 1HG1 ILE 11 1HG1 ILE 11 2.492 -3.463 5.020
61 2HG1 ILE 11 2HG1 ILE 11 2.588 -5.214 4.886
62 1HG2 ILE 11 1HG2 ILE 11 4.964 -3.224 7.879
63 2HG2 ILE 11 2HG2 ILE 11 3.808 -2.290 6.904
64 3HG2 ILE 11 3HG2 ILE 11 3.233 -3.394 8.169
65 1HD1 ILE 11 1HD1 ILE 11 1.449 -5.386 7.139
66 2HD1 ILE 11 2HD1 ILE 11 1.184 -3.629 7.059
67 3HD1 ILE 11 3HD1 ILE 11 0.469 -4.688 5.836
68 H LEU 12 H LEU 12 6.486 -6.325 6.038
69 HA LEU 12 HA LEU 12 6.333 -7.824 3.525
70 1HB LEU 12 1HB LEU 12 7.653 -9.553 4.696
71 2HB LEU 12 2HB LEU 12 8.372 -7.959 4.612
72 HG LEU 12 HG LEU 12 7.868 -7.520 6.968
73 1HD1 LEU 12 1HD1 LEU 12 6.752 -10.353 7.042
74 2HD1 LEU 12 2HD1 LEU 12 7.150 -9.370 8.468
75 3HD1 LEU 12 3HD1 LEU 12 5.861 -8.849 7.385
76 1HD2 LEU 12 1HD2 LEU 12 9.989 -8.590 6.313
77 2HD2 LEU 12 2HD2 LEU 12 9.463 -9.117 7.918
78 3HD2 LEU 12 3HD2 LEU 12 9.248 -10.193 6.520
79 H LYS 13 H LYS 13 3.815 -7.273 4.953
80 HA LYS 13 HA LYS 13 2.589 -9.847 5.630
81 1HB LYS 13 1HB LYS 13 1.738 -7.634 6.424
82 2HB LYS 13 2HB LYS 13 1.317 -7.213 4.753
83 1HG LYS 13 1HG LYS 13 -0.215 -9.198 4.682
84 2HG LYS 13 2HG LYS 13 0.198 -9.545 6.374
85 1HD LYS 13 1HD LYS 13 -0.669 -7.263 6.997
86 2HD LYS 13 2HD LYS 13 -1.145 -7.023 5.300
87 1HE LYS 13 1HE LYS 13 -2.548 -9.110 5.464
88 2HE LYS 13 2HE LYS 13 -2.141 -9.210 7.186
89 1HZ LYS 13 1HZ LYS 13 -3.191 -7.000 7.457
90 2HZ LYS 13 2HZ LYS 13 -3.580 -6.981 5.856
91 3HZ LYS 13 3HZ LYS 13 -4.262 -8.082 6.860
92 H LYS 14 H LYS 14 2.541 -11.392 4.108
93 HA LYS 14 HA LYS 14 2.464 -10.988 1.243
94 1HB LYS 14 1HB LYS 14 1.717 -13.402 2.952
95 2HB LYS 14 2HB LYS 14 1.713 -13.378 1.179
96 1HG LYS 14 1HG LYS 14 4.101 -12.845 1.130
97 2HG LYS 14 2HG LYS 14 4.160 -12.830 2.909
98 1HD LYS 14 1HD LYS 14 3.506 -15.216 2.955
99 2HD LYS 14 2HD LYS 14 3.428 -15.234 1.179
100 1HE LYS 14 1HE LYS 14 5.825 -14.612 1.062
101 2HE LYS 14 2HE LYS 14 5.913 -14.574 2.827
102 1HZ LYS 14 1HZ LYS 14 5.292 -16.988 1.203
103 2HZ LYS 14 2HZ LYS 14 6.714 -16.689 1.945
104 3HZ LYS 14 3HZ LYS 14 5.373 -16.955 2.836
105 H CYS 15 H CYS 15 0.852 -10.951 -0.095
106 HA CYS 15 HA CYS 15 -2.008 -11.043 0.877
107 1HB CYS 15 1HB CYS 15 -2.477 -8.937 -0.312
108 2HB CYS 15 2HB CYS 15 -1.297 -8.741 0.947
109 H ARG 16 H ARG 16 -3.582 -10.826 -0.857
110 HA ARG 16 HA ARG 16 -2.837 -11.940 -3.532
111 1HB ARG 16 1HB ARG 16 -3.651 -13.761 -1.998
112 2HB ARG 16 2HB ARG 16 -5.164 -12.891 -1.802
113 1HG ARG 16 1HG ARG 16 -5.376 -14.761 -3.368
114 2HG ARG 16 2HG ARG 16 -5.733 -13.234 -4.157
115 1HD ARG 16 1HD ARG 16 -4.412 -14.676 -5.631
116 2HD ARG 16 2HD ARG 16 -3.516 -13.226 -5.230
117 HE ARG 16 HE ARG 16 -1.942 -14.484 -4.042
118 1HH1 ARG 16 1HH1 ARG 16 -0.853 -16.299 -3.460
119 2HH1 ARG 16 2HH1 ARG 16 -1.616 -17.856 -3.603
120 1HH2 ARG 16 1HH2 ARG 16 -4.577 -16.655 -4.839
121 2HH2 ARG 16 2HH2 ARG 16 -3.664 -18.061 -4.360
122 H ARG 17 H ARG 17 -4.646 -9.701 -1.679
123 HA ARG 17 HA ARG 17 -5.836 -8.455 -4.115
124 1HB ARG 17 1HB ARG 17 -8.012 -8.149 -2.907
125 2HB ARG 17 2HB ARG 17 -7.661 -9.847 -3.256
126 1HG ARG 17 1HG ARG 17 -6.927 -10.241 -0.977
127 2HG ARG 17 2HG ARG 17 -7.044 -8.517 -0.589
128 1HD ARG 17 1HD ARG 17 -9.513 -8.671 -0.910
129 2HD ARG 17 2HD ARG 17 -9.327 -10.428 -1.130
130 HE ARG 17 HE ARG 17 -7.901 -9.841 1.200
131 1HH1 ARG 17 1HH1 ARG 17 -8.540 -9.944 3.212
132 2HH1 ARG 17 2HH1 ARG 17 -10.231 -9.821 3.652
133 1HH2 ARG 17 1HH2 ARG 17 -11.293 -9.467 0.385
134 2HH2 ARG 17 2HH2 ARG 17 -11.772 -9.543 2.062
135 H ASP 18 H ASP 18 -6.534 -6.208 -3.698
136 HA ASP 18 HA ASP 18 -4.460 -4.809 -2.229
137 1HB ASP 18 1HB ASP 18 -7.020 -3.739 -3.473
138 2HB ASP 18 2HB ASP 18 -5.652 -2.764 -2.922
139 H SER 19 H SER 19 -7.613 -5.866 -1.329
140 HA SER 19 HA SER 19 -8.032 -4.100 0.966
141 1HB SER 19 1HB SER 19 -9.267 -6.794 0.285
142 2HB SER 19 2HB SER 19 -9.789 -5.735 1.603
143 HG SER 19 HG SER 19 -9.721 -4.968 -1.150
144 H ASP 20 H ASP 20 -5.932 -6.793 0.483
145 HA ASP 20 HA ASP 20 -5.729 -7.677 3.263
146 1HB ASP 20 1HB ASP 20 -3.887 -7.845 0.866
147 2HB ASP 20 2HB ASP 20 -3.521 -8.639 2.360
148 H CYS 21 H CYS 21 -4.683 -4.818 1.623
149 HA CYS 21 HA CYS 21 -2.405 -4.414 3.489
150 1HB CYS 21 1HB CYS 21 -2.922 -3.309 0.713
151 2HB CYS 21 2HB CYS 21 -1.467 -3.051 1.682
152 HA PRO 22 HA PRO 22 -4.386 -0.898 5.236
153 1HB PRO 22 1HB PRO 22 -2.316 0.423 6.419
154 2HB PRO 22 2HB PRO 22 -2.794 -1.231 6.901
155 1HG PRO 22 1HG PRO 22 -0.594 -0.429 4.967
156 2HG PRO 22 2HG PRO 22 -0.474 -1.534 6.376
157 1HD PRO 22 1HD PRO 22 -0.864 -2.456 3.842
158 2HD PRO 22 2HD PRO 22 -1.641 -3.236 5.253
159 H GLY 23 H GLY 23 -4.524 1.432 5.349
160 1HA GLY 23 1HA GLY 23 -3.142 3.483 4.320
161 2HA GLY 23 2HA GLY 23 -4.901 3.479 4.344
162 H ALA 24 H ALA 24 -2.226 3.875 2.441
163 HA ALA 24 HA ALA 24 -3.776 3.798 -0.100
164 1HB ALA 24 1HB ALA 24 -2.865 5.946 0.686
165 2HB ALA 24 2HB ALA 24 -2.137 5.453 -0.849
166 3HB ALA 24 3HB ALA 24 -1.219 5.260 0.653
167 H CYS 25 H CYS 25 -1.994 1.525 1.337
168 HA CYS 25 HA CYS 25 -0.092 0.821 -0.737
169 1HB CYS 25 1HB CYS 25 -1.415 -0.919 1.365
170 2HB CYS 25 2HB CYS 25 0.008 -1.316 0.410
171 H ILE 26 H ILE 26 -0.265 -1.243 -1.805
172 HA ILE 26 HA ILE 26 -2.902 -2.349 -2.581
173 HB ILE 26 HB ILE 26 -2.047 -2.610 -4.928
174 1HG1 ILE 26 1HG1 ILE 26 0.024 -0.498 -4.289
175 2HG1 ILE 26 2HG1 ILE 26 0.409 -2.207 -4.269
176 1HG2 ILE 26 1HG2 ILE 26 -3.695 -0.889 -4.339
177 2HG2 ILE 26 2HG2 ILE 26 -2.399 0.273 -4.015
178 3HG2 ILE 26 3HG2 ILE 26 -2.654 -0.349 -5.660
179 1HD1 ILE 26 1HD1 ILE 26 -0.681 -0.782 -6.722
180 2HD1 ILE 26 2HD1 ILE 26 1.019 -1.147 -6.407
181 3HD1 ILE 26 3HD1 ILE 26 -0.131 -2.479 -6.600
182 H CYS 27 H CYS 27 -2.496 -4.503 -3.716
183 HA CYS 27 HA CYS 27 -0.291 -5.975 -2.367
184 1HB CYS 27 1HB CYS 27 -2.590 -6.886 -2.400
185 2HB CYS 27 2HB CYS 27 -2.509 -7.028 -4.165
186 H ARG 28 H ARG 28 1.582 -5.693 -3.329
187 HA ARG 28 HA ARG 28 1.955 -4.769 -6.061
188 1HB ARG 28 1HB ARG 28 3.919 -5.779 -3.953
189 2HB ARG 28 2HB ARG 28 4.397 -4.980 -5.436
190 1HG ARG 28 1HG ARG 28 2.687 -3.685 -3.263
191 2HG ARG 28 2HG ARG 28 4.438 -3.562 -3.351
192 1HD ARG 28 1HD ARG 28 2.555 -2.599 -5.535
193 2HD ARG 28 2HD ARG 28 3.223 -1.582 -4.251
194 HE ARG 28 HE ARG 28 5.314 -2.981 -5.694
195 1HH1 ARG 28 1HH1 ARG 28 6.610 -1.998 -7.166
196 2HH1 ARG 28 2HH1 ARG 28 6.233 -0.388 -7.712
197 1HH2 ARG 28 1HH2 ARG 28 3.414 -0.020 -5.802
198 2HH2 ARG 28 2HH2 ARG 28 4.457 0.666 -7.018
199 H GLY 29 H GLY 29 3.636 -5.868 -7.394
200 1HA GLY 29 1HA GLY 29 3.959 -7.527 -9.012
201 2HA GLY 29 2HA GLY 29 2.532 -8.348 -8.384
202 H ASN 30 H ASN 30 5.021 -7.740 -6.114
203 HA ASN 30 HA ASN 30 6.392 -10.333 -6.358
204 1HB ASN 30 1HB ASN 30 7.712 -9.619 -4.499
205 2HB ASN 30 2HB ASN 30 7.564 -8.271 -5.621
206 2HD2 ASN 30 2HD2 ASN 30 8.436 -7.541 -3.219
207 1HD2 ASN 30 1HD2 ASN 30 7.129 -6.829 -2.276
208 H GLY 31 H GLY 31 3.396 -9.455 -5.010
209 1HA GLY 31 1HA GLY 31 3.175 -12.045 -3.572
210 2HA GLY 31 2HA GLY 31 1.864 -10.976 -4.048
211 H TYR 32 H TYR 32 3.665 -8.721 -2.690
212 HA TYR 32 HA TYR 32 2.523 -9.097 0.050
213 1HB TYR 32 1HB TYR 32 5.187 -7.878 -0.640
214 2HB TYR 32 2HB TYR 32 4.514 -7.984 0.960
215 HD1 TYR 32 HD1 TYR 32 5.023 -9.774 2.332
216 HD2 TYR 32 HD2 TYR 32 5.913 -10.054 -1.852
217 HE1 TYR 32 HE1 TYR 32 6.564 -11.676 2.807
218 HE2 TYR 32 HE2 TYR 32 7.358 -12.030 -1.424
219 HH TYR 32 HH TYR 32 8.321 -13.368 0.167
220 H CYS 33 H CYS 33 2.413 -6.979 1.243
221 HA CYS 33 HA CYS 33 1.067 -4.991 -0.346
222 1HB CYS 33 1HB CYS 33 2.060 -4.964 2.527
223 2HB CYS 33 2HB CYS 33 1.001 -3.740 1.829
224 H GLY 34 H GLY 34 1.599 -2.846 -0.850
225 1HA GLY 34 1HA GLY 34 4.257 -2.096 -1.520
226 2HA GLY 34 2HA GLY 34 3.870 -1.388 0.053
No H/Q in entry = 226
Start of MODEL 15
1 H SER 1 H SER 1 4.376 0.601 -1.232
2 HA SER 1 HA SER 1 1.984 2.035 -1.278
3 1HB SER 1 1HB SER 1 4.598 2.749 -2.657
4 2HB SER 1 2HB SER 1 3.272 3.868 -2.286
5 HG SER 1 HG SER 1 4.669 4.040 -0.610
6 H GLY 2 H GLY 2 0.437 2.530 -2.727
7 1HA GLY 2 1HA GLY 2 -0.756 1.918 -4.765
8 2HA GLY 2 2HA GLY 2 0.766 1.765 -5.608
9 H SER 3 H SER 3 1.015 4.539 -3.736
10 HA SER 3 HA SER 3 0.633 6.271 -6.094
11 1HB SER 3 1HB SER 3 -0.590 7.962 -4.813
12 2HB SER 3 2HB SER 3 -1.496 6.446 -4.907
13 HG SER 3 HG SER 3 -1.513 7.326 -2.794
14 H ASP 4 H ASP 4 1.635 8.364 -5.875
15 HA ASP 4 HA ASP 4 4.302 8.226 -4.823
16 1HB ASP 4 1HB ASP 4 3.761 9.408 -6.879
17 2HB ASP 4 2HB ASP 4 2.703 10.523 -6.011
18 H GLY 5 H GLY 5 4.665 8.230 -2.686
19 1HA GLY 5 1HA GLY 5 4.230 10.631 -1.120
20 2HA GLY 5 2HA GLY 5 4.999 9.144 -0.580
21 H GLY 6 H GLY 6 2.286 7.790 -1.497
22 1HA GLY 6 1HA GLY 6 0.332 7.081 -0.492
23 2HA GLY 6 2HA GLY 6 0.189 8.691 0.220
24 H VAL 7 H VAL 7 -0.777 7.531 1.990
25 HA VAL 7 HA VAL 7 1.025 6.780 4.146
26 HB VAL 7 HB VAL 7 -1.096 6.377 5.433
27 1HG1 VAL 7 1HG1 VAL 7 0.174 8.477 5.519
28 2HG1 VAL 7 2HG1 VAL 7 -0.739 9.105 4.131
29 3HG1 VAL 7 3HG1 VAL 7 -1.564 8.767 5.666
30 1HG2 VAL 7 1HG2 VAL 7 -2.686 5.974 3.522
31 2HG2 VAL 7 2HG2 VAL 7 -3.199 7.269 4.605
32 3HG2 VAL 7 3HG2 VAL 7 -2.486 7.671 3.035
33 H CYS 8 H CYS 8 2.061 5.062 2.960
34 HA CYS 8 HA CYS 8 0.765 2.435 3.557
35 1HB CYS 8 1HB CYS 8 0.880 2.716 1.169
36 2HB CYS 8 2HB CYS 8 2.605 3.086 1.257
37 HA PRO 9 HA PRO 9 4.297 2.292 6.449
38 1HB PRO 9 1HB PRO 9 3.027 -0.431 6.791
39 2HB PRO 9 2HB PRO 9 3.696 0.660 8.048
40 1HG PRO 9 1HG PRO 9 1.036 0.543 7.656
41 2HG PRO 9 2HG PRO 9 1.822 2.152 7.814
42 1HD PRO 9 1HD PRO 9 1.017 0.693 5.285
43 2HD PRO 9 2HD PRO 9 0.745 2.404 5.737
44 H LYS 10 H LYS 10 3.850 0.334 3.667
45 HA LYS 10 HA LYS 10 5.010 -1.320 2.563
46 1HB LYS 10 1HB LYS 10 7.390 0.330 3.501
47 2HB LYS 10 2HB LYS 10 7.402 -0.846 2.183
48 1HG LYS 10 1HG LYS 10 5.767 0.528 0.921
49 2HG LYS 10 2HG LYS 10 5.799 1.740 2.218
50 1HD LYS 10 1HD LYS 10 8.257 2.006 1.905
51 2HD LYS 10 2HD LYS 10 8.205 0.830 0.574
52 1HE LYS 10 1HE LYS 10 6.640 2.309 -0.659
53 2HE LYS 10 2HE LYS 10 6.683 3.470 0.670
54 1HZ LYS 10 1HZ LYS 10 9.034 2.678 -0.973
55 2HZ LYS 10 2HZ LYS 10 8.231 4.094 -1.098
56 3HZ LYS 10 3HZ LYS 10 9.072 3.755 0.257
57 H ILE 11 H ILE 11 4.179 -2.383 4.726
58 HA ILE 11 HA ILE 11 6.277 -3.860 6.187
59 HB ILE 11 HB ILE 11 4.296 -5.079 7.191
60 1HG1 ILE 11 1HG1 ILE 11 2.618 -2.899 5.854
61 2HG1 ILE 11 2HG1 ILE 11 2.651 -4.591 5.352
62 1HG2 ILE 11 1HG2 ILE 11 5.505 -3.255 8.293
63 2HG2 ILE 11 2HG2 ILE 11 4.457 -2.056 7.524
64 3HG2 ILE 11 3HG2 ILE 11 3.794 -3.199 8.709
65 1HD1 ILE 11 1HD1 ILE 11 1.846 -5.235 7.656
66 2HD1 ILE 11 2HD1 ILE 11 1.631 -3.501 7.999
67 3HD1 ILE 11 3HD1 ILE 11 0.705 -4.268 6.699
68 H LEU 12 H LEU 12 6.649 -5.984 6.058
69 HA LEU 12 HA LEU 12 6.335 -7.337 3.473
70 1HB LEU 12 1HB LEU 12 7.640 -8.273 6.056
71 2HB LEU 12 2HB LEU 12 7.738 -9.101 4.501
72 HG LEU 12 HG LEU 12 8.856 -6.320 5.069
73 1HD1 LEU 12 1HD1 LEU 12 10.086 -8.136 6.200
74 2HD1 LEU 12 2HD1 LEU 12 10.246 -8.998 4.654
75 3HD1 LEU 12 3HD1 LEU 12 11.039 -7.423 4.888
76 1HD2 LEU 12 1HD2 LEU 12 9.047 -8.094 2.591
77 2HD2 LEU 12 2HD2 LEU 12 8.245 -6.509 2.700
78 3HD2 LEU 12 3HD2 LEU 12 9.997 -6.617 2.869
79 H LYS 13 H LYS 13 3.873 -6.887 4.684
80 HA LYS 13 HA LYS 13 2.684 -9.416 5.614
81 1HB LYS 13 1HB LYS 13 1.822 -7.146 6.240
82 2HB LYS 13 2HB LYS 13 1.366 -6.870 4.553
83 1HG LYS 13 1HG LYS 13 -0.142 -8.878 4.682
84 2HG LYS 13 2HG LYS 13 0.339 -9.094 6.379
85 1HD LYS 13 1HD LYS 13 -0.546 -6.759 6.840
86 2HD LYS 13 2HD LYS 13 -1.154 -6.727 5.168
87 1HE LYS 13 1HE LYS 13 -2.429 -8.850 5.671
88 2HE LYS 13 2HE LYS 13 -1.894 -8.726 7.355
89 1HZ LYS 13 1HZ LYS 13 -3.044 -6.545 7.445
90 2HZ LYS 13 2HZ LYS 13 -3.567 -6.758 5.895
91 3HZ LYS 13 3HZ LYS 13 -4.088 -7.752 7.084
92 H LYS 14 H LYS 14 2.540 -11.084 4.226
93 HA LYS 14 HA LYS 14 2.522 -10.904 1.335
94 1HB LYS 14 1HB LYS 14 1.687 -13.146 3.228
95 2HB LYS 14 2HB LYS 14 1.699 -13.272 1.461
96 1HG LYS 14 1HG LYS 14 4.104 -12.817 1.392
97 2HG LYS 14 2HG LYS 14 4.148 -12.659 3.164
98 1HD LYS 14 1HD LYS 14 3.420 -15.008 3.403
99 2HD LYS 14 2HD LYS 14 3.341 -15.172 1.633
100 1HE LYS 14 1HE LYS 14 5.757 -14.647 1.473
101 2HE LYS 14 2HE LYS 14 5.848 -14.465 3.227
102 1HZ LYS 14 1HZ LYS 14 5.141 -16.982 1.810
103 2HZ LYS 14 2HZ LYS 14 6.573 -16.673 2.527
104 3HZ LYS 14 3HZ LYS 14 5.224 -16.817 3.434
105 H CYS 15 H CYS 15 0.901 -10.953 -0.028
106 HA CYS 15 HA CYS 15 -1.961 -11.007 0.908
107 1HB CYS 15 1HB CYS 15 -2.450 -8.896 -0.240
108 2HB CYS 15 2HB CYS 15 -1.239 -8.689 0.996
109 H ARG 16 H ARG 16 -3.529 -10.869 -0.807
110 HA ARG 16 HA ARG 16 -2.749 -11.785 -3.553
111 1HB ARG 16 1HB ARG 16 -4.997 -12.964 -1.858
112 2HB ARG 16 2HB ARG 16 -4.751 -13.274 -3.580
113 1HG ARG 16 1HG ARG 16 -2.507 -14.246 -3.080
114 2HG ARG 16 2HG ARG 16 -2.819 -14.025 -1.344
115 1HD ARG 16 1HD ARG 16 -4.816 -15.469 -1.510
116 2HD ARG 16 2HD ARG 16 -4.508 -15.699 -3.245
117 HE ARG 16 HE ARG 16 -2.153 -16.438 -1.832
118 1HH1 ARG 16 1HH1 ARG 16 -1.580 -18.533 -1.446
119 2HH1 ARG 16 2HH1 ARG 16 -2.792 -19.786 -1.475
120 1HH2 ARG 16 1HH2 ARG 16 -5.401 -17.684 -2.201
121 2HH2 ARG 16 2HH2 ARG 16 -4.900 -19.328 -1.890
122 H ARG 17 H ARG 17 -4.587 -9.721 -1.554
123 HA ARG 17 HA ARG 17 -6.131 -8.548 -3.855
124 1HB ARG 17 1HB ARG 17 -7.020 -8.631 -0.948
125 2HB ARG 17 2HB ARG 17 -7.980 -8.182 -2.355
126 1HG ARG 17 1HG ARG 17 -8.006 -10.529 -3.108
127 2HG ARG 17 2HG ARG 17 -6.990 -11.001 -1.730
128 1HD ARG 17 1HD ARG 17 -9.740 -9.742 -1.477
129 2HD ARG 17 2HD ARG 17 -9.401 -11.480 -1.368
130 HE ARG 17 HE ARG 17 -7.680 -10.283 0.506
131 1HH1 ARG 17 1HH1 ARG 17 -7.958 -9.970 2.489
132 2HH1 ARG 17 2HH1 ARG 17 -9.553 -9.908 3.259
133 1HH2 ARG 17 1HH2 ARG 17 -11.173 -10.408 0.225
134 2HH2 ARG 17 2HH2 ARG 17 -11.370 -10.148 1.943
135 H ASP 18 H ASP 18 -6.415 -6.245 -3.737
136 HA ASP 18 HA ASP 18 -4.367 -4.754 -2.297
137 1HB ASP 18 1HB ASP 18 -6.918 -3.734 -3.598
138 2HB ASP 18 2HB ASP 18 -5.542 -2.752 -3.071
139 H SER 19 H SER 19 -7.576 -5.821 -1.443
140 HA SER 19 HA SER 19 -8.005 -4.067 0.828
141 1HB SER 19 1HB SER 19 -9.839 -5.669 1.340
142 2HB SER 19 2HB SER 19 -9.900 -5.004 -0.299
143 HG SER 19 HG SER 19 -10.251 -7.265 -0.277
144 H ASP 20 H ASP 20 -6.014 -6.888 0.384
145 HA ASP 20 HA ASP 20 -5.879 -7.719 3.176
146 1HB ASP 20 1HB ASP 20 -3.919 -7.899 0.875
147 2HB ASP 20 2HB ASP 20 -3.639 -8.689 2.388
148 H CYS 21 H CYS 21 -4.685 -4.933 1.495
149 HA CYS 21 HA CYS 21 -2.489 -4.507 3.447
150 1HB CYS 21 1HB CYS 21 -2.958 -3.332 0.689
151 2HB CYS 21 2HB CYS 21 -1.523 -3.109 1.695
152 HA PRO 22 HA PRO 22 -4.562 -1.031 5.201
153 1HB PRO 22 1HB PRO 22 -2.551 0.269 6.491
154 2HB PRO 22 2HB PRO 22 -3.020 -1.406 6.914
155 1HG PRO 22 1HG PRO 22 -0.790 -0.520 5.053
156 2HG PRO 22 2HG PRO 22 -0.666 -1.640 6.449
157 1HD PRO 22 1HD PRO 22 -0.984 -2.545 3.901
158 2HD PRO 22 2HD PRO 22 -1.793 -3.352 5.278
159 H GLY 23 H GLY 23 -4.715 1.291 5.341
160 1HA GLY 23 1HA GLY 23 -3.324 3.378 4.445
161 2HA GLY 23 2HA GLY 23 -5.077 3.344 4.337
162 H ALA 24 H ALA 24 -2.225 3.697 2.640
163 HA ALA 24 HA ALA 24 -3.615 3.783 0.003
164 1HB ALA 24 1HB ALA 24 -2.637 5.875 0.942
165 2HB ALA 24 2HB ALA 24 -1.917 5.403 -0.607
166 3HB ALA 24 3HB ALA 24 -1.031 5.098 0.898
167 H CYS 25 H CYS 25 -1.945 1.417 1.487
168 HA CYS 25 HA CYS 25 0.019 0.718 -0.535
169 1HB CYS 25 1HB CYS 25 -1.434 -1.016 1.474
170 2HB CYS 25 2HB CYS 25 -0.004 -1.468 0.553
171 H ILE 26 H ILE 26 -0.166 -1.216 -1.745
172 HA ILE 26 HA ILE 26 -2.802 -2.284 -2.609
173 HB ILE 26 HB ILE 26 -1.857 -2.470 -4.936
174 1HG1 ILE 26 1HG1 ILE 26 0.159 -0.347 -4.155
175 2HG1 ILE 26 2HG1 ILE 26 0.573 -2.052 -4.147
176 1HG2 ILE 26 1HG2 ILE 26 -3.532 -0.768 -4.332
177 2HG2 ILE 26 2HG2 ILE 26 -2.244 0.378 -3.928
178 3HG2 ILE 26 3HG2 ILE 26 -2.452 -0.183 -5.599
179 1HD1 ILE 26 1HD1 ILE 26 -0.456 -0.607 -6.612
180 2HD1 ILE 26 2HD1 ILE 26 1.244 -0.902 -6.232
181 3HD1 ILE 26 3HD1 ILE 26 0.170 -2.289 -6.500
182 H CYS 27 H CYS 27 -2.409 -4.420 -3.755
183 HA CYS 27 HA CYS 27 -0.228 -5.936 -2.412
184 1HB CYS 27 1HB CYS 27 -2.546 -6.792 -2.424
185 2HB CYS 27 2HB CYS 27 -2.465 -6.976 -4.185
186 H ARG 28 H ARG 28 1.638 -5.686 -3.377
187 HA ARG 28 HA ARG 28 2.016 -4.781 -6.110
188 1HB ARG 28 1HB ARG 28 3.972 -5.852 -4.013
189 2HB ARG 28 2HB ARG 28 4.461 -5.056 -5.495
190 1HG ARG 28 1HG ARG 28 2.826 -3.748 -3.272
191 2HG ARG 28 2HG ARG 28 4.571 -3.623 -3.448
192 1HD ARG 28 1HD ARG 28 2.550 -2.670 -5.505
193 2HD ARG 28 2HD ARG 28 3.337 -1.643 -4.312
194 HE ARG 28 HE ARG 28 5.520 -2.179 -5.356
195 1HH1 ARG 28 1HH1 ARG 28 6.671 -2.070 -7.211
196 2HH1 ARG 28 2HH1 ARG 28 5.864 -2.217 -8.747
197 1HH2 ARG 28 1HH2 ARG 28 2.725 -2.592 -7.446
198 2HH2 ARG 28 2HH2 ARG 28 3.711 -2.520 -8.881
199 H GLY 29 H GLY 29 3.699 -5.950 -7.434
200 1HA GLY 29 1HA GLY 29 3.929 -7.607 -9.068
201 2HA GLY 29 2HA GLY 29 2.453 -8.347 -8.455
202 H ASN 30 H ASN 30 4.959 -7.925 -6.170
203 HA ASN 30 HA ASN 30 6.160 -10.603 -6.452
204 1HB ASN 30 1HB ASN 30 7.607 -9.961 -4.676
205 2HB ASN 30 2HB ASN 30 7.479 -8.589 -5.772
206 2HD2 ASN 30 2HD2 ASN 30 8.454 -8.221 -3.188
207 1HD2 ASN 30 1HD2 ASN 30 7.236 -7.336 -2.275
208 H GLY 31 H GLY 31 3.252 -9.557 -5.065
209 1HA GLY 31 1HA GLY 31 2.933 -12.093 -3.568
210 2HA GLY 31 2HA GLY 31 1.677 -10.936 -3.984
211 H TYR 32 H TYR 32 3.521 -8.735 -2.777
212 HA TYR 32 HA TYR 32 2.612 -9.070 0.054
213 1HB TYR 32 1HB TYR 32 5.228 -7.998 -0.978
214 2HB TYR 32 2HB TYR 32 4.702 -7.794 0.675
215 HD1 TYR 32 HD1 TYR 32 5.037 -9.474 2.298
216 HD2 TYR 32 HD2 TYR 32 5.879 -10.293 -1.834
217 HE1 TYR 32 HE1 TYR 32 6.473 -11.398 2.982
218 HE2 TYR 32 HE2 TYR 32 7.234 -12.270 -1.176
219 HH TYR 32 HH TYR 32 8.157 -13.442 0.563
220 H CYS 33 H CYS 33 2.392 -7.015 1.202
221 HA CYS 33 HA CYS 33 1.085 -4.984 -0.361
222 1HB CYS 33 1HB CYS 33 2.013 -5.034 2.531
223 2HB CYS 33 2HB CYS 33 0.973 -3.790 1.837
224 H GLY 34 H GLY 34 1.665 -2.871 -0.863
225 1HA GLY 34 1HA GLY 34 4.305 -2.120 -1.495
226 2HA GLY 34 2HA GLY 34 3.976 -1.478 0.122
No H/Q in entry = 226
Start of MODEL 16
1 H SER 1 H SER 1 4.429 0.608 -0.875
2 HA SER 1 HA SER 1 2.227 2.263 -1.245
3 1HB SER 1 1HB SER 1 5.050 2.645 -2.319
4 2HB SER 1 2HB SER 1 3.857 3.926 -2.044
5 HG SER 1 HG SER 1 5.437 3.588 -0.318
6 H GLY 2 H GLY 2 0.812 2.557 -2.874
7 1HA GLY 2 1HA GLY 2 -0.112 2.038 -5.058
8 2HA GLY 2 2HA GLY 2 1.507 1.747 -5.677
9 H SER 3 H SER 3 0.849 3.181 -7.434
10 HA SER 3 HA SER 3 1.859 5.837 -7.219
11 1HB SER 3 1HB SER 3 0.927 6.077 -9.542
12 2HB SER 3 2HB SER 3 2.007 4.695 -9.295
13 HG SER 3 HG SER 3 0.115 4.117 -10.469
14 H ASP 4 H ASP 4 -1.493 4.827 -7.864
15 HA ASP 4 HA ASP 4 -2.680 7.387 -7.102
16 1HB ASP 4 1HB ASP 4 -3.655 5.796 -8.758
17 2HB ASP 4 2HB ASP 4 -3.941 4.638 -7.459
18 H GLY 5 H GLY 5 -1.755 4.534 -5.349
19 1HA GLY 5 1HA GLY 5 -2.002 3.803 -3.163
20 2HA GLY 5 2HA GLY 5 -3.522 4.692 -3.088
21 H GLY 6 H GLY 6 -0.102 5.740 -3.447
22 1HA GLY 6 1HA GLY 6 -0.394 7.555 -1.067
23 2HA GLY 6 2HA GLY 6 0.623 7.892 -2.472
24 H VAL 7 H VAL 7 1.802 8.152 -0.165
25 HA VAL 7 HA VAL 7 3.896 6.139 0.024
26 HB VAL 7 HB VAL 7 3.267 8.420 1.951
27 1HG1 VAL 7 1HG1 VAL 7 5.781 6.714 1.574
28 2HG1 VAL 7 2HG1 VAL 7 5.652 8.145 2.619
29 3HG1 VAL 7 3HG1 VAL 7 4.718 6.699 2.998
30 1HG2 VAL 7 1HG2 VAL 7 5.226 8.255 -0.384
31 2HG2 VAL 7 2HG2 VAL 7 3.778 9.284 -0.301
32 3HG2 VAL 7 3HG2 VAL 7 5.129 9.582 0.794
33 H CYS 8 H CYS 8 3.245 4.150 0.643
34 HA CYS 8 HA CYS 8 1.584 3.800 3.056
35 1HB CYS 8 1HB CYS 8 1.332 2.332 1.013
36 2HB CYS 8 2HB CYS 8 2.950 1.712 1.349
37 HA PRO 9 HA PRO 9 5.490 3.302 5.453
38 1HB PRO 9 1HB PRO 9 4.346 2.549 7.846
39 2HB PRO 9 2HB PRO 9 4.500 4.237 7.283
40 1HG PRO 9 1HG PRO 9 2.088 2.421 7.082
41 2HG PRO 9 2HG PRO 9 2.151 4.134 7.604
42 1HD PRO 9 1HD PRO 9 1.424 3.412 5.088
43 2HD PRO 9 2HD PRO 9 2.390 4.897 5.356
44 H LYS 10 H LYS 10 6.181 1.650 4.207
45 HA LYS 10 HA LYS 10 5.058 -0.748 3.555
46 1HB LYS 10 1HB LYS 10 8.037 -0.145 3.791
47 2HB LYS 10 2HB LYS 10 7.333 -1.486 2.878
48 1HG LYS 10 1HG LYS 10 6.116 0.138 1.428
49 2HG LYS 10 2HG LYS 10 6.875 1.475 2.316
50 1HD LYS 10 1HD LYS 10 9.121 0.628 1.668
51 2HD LYS 10 2HD LYS 10 8.346 -0.653 0.707
52 1HE LYS 10 1HE LYS 10 7.208 1.067 -0.670
53 2HE LYS 10 2HE LYS 10 7.929 2.348 0.313
54 1HZ LYS 10 1HZ LYS 10 9.467 0.416 -1.345
55 2HZ LYS 10 2HZ LYS 10 9.201 1.981 -1.725
56 3HZ LYS 10 3HZ LYS 10 10.126 1.605 -0.435
57 H ILE 11 H ILE 11 4.930 -2.709 4.174
58 HA ILE 11 HA ILE 11 6.449 -3.877 6.433
59 HB ILE 11 HB ILE 11 4.361 -4.964 7.292
60 1HG1 ILE 11 1HG1 ILE 11 2.871 -2.858 5.648
61 2HG1 ILE 11 2HG1 ILE 11 2.889 -4.590 5.316
62 1HG2 ILE 11 1HG2 ILE 11 5.481 -2.996 8.371
63 2HG2 ILE 11 2HG2 ILE 11 4.318 -1.933 7.550
64 3HG2 ILE 11 3HG2 ILE 11 3.761 -3.130 8.735
65 1HD1 ILE 11 1HD1 ILE 11 1.852 -4.975 7.591
66 2HD1 ILE 11 2HD1 ILE 11 1.655 -3.210 7.723
67 3HD1 ILE 11 3HD1 ILE 11 0.839 -4.096 6.426
68 H LEU 12 H LEU 12 6.701 -6.119 6.306
69 HA LEU 12 HA LEU 12 6.423 -7.299 3.617
70 1HB LEU 12 1HB LEU 12 7.802 -8.199 6.174
71 2HB LEU 12 2HB LEU 12 7.667 -9.229 4.762
72 HG LEU 12 HG LEU 12 9.832 -8.267 4.839
73 1HD1 LEU 12 1HD1 LEU 12 8.780 -8.700 2.625
74 2HD1 LEU 12 2HD1 LEU 12 8.319 -6.983 2.534
75 3HD1 LEU 12 3HD1 LEU 12 10.029 -7.442 2.589
76 1HD2 LEU 12 1HD2 LEU 12 9.314 -6.125 6.004
77 2HD2 LEU 12 2HD2 LEU 12 10.366 -5.948 4.589
78 3HD2 LEU 12 3HD2 LEU 12 8.659 -5.489 4.471
79 H LYS 13 H LYS 13 3.978 -6.801 4.584
80 HA LYS 13 HA LYS 13 2.706 -9.275 5.605
81 1HB LYS 13 1HB LYS 13 1.962 -6.970 6.260
82 2HB LYS 13 2HB LYS 13 1.412 -6.698 4.596
83 1HG LYS 13 1HG LYS 13 -0.145 -8.620 4.809
84 2HG LYS 13 2HG LYS 13 0.470 -8.940 6.444
85 1HD LYS 13 1HD LYS 13 -0.277 -6.595 7.083
86 2HD LYS 13 2HD LYS 13 -1.082 -6.481 5.512
87 1HE LYS 13 1HE LYS 13 -1.615 -8.585 7.670
88 2HE LYS 13 2HE LYS 13 -2.601 -7.148 7.381
89 1HZ LYS 13 1HZ LYS 13 -3.077 -7.989 5.155
90 2HZ LYS 13 2HZ LYS 13 -2.205 -9.354 5.431
91 3HZ LYS 13 3HZ LYS 13 -3.568 -9.066 6.290
92 H LYS 14 H LYS 14 2.373 -10.927 4.250
93 HA LYS 14 HA LYS 14 2.373 -10.795 1.363
94 1HB LYS 14 1HB LYS 14 1.416 -12.938 3.313
95 2HB LYS 14 2HB LYS 14 1.394 -13.116 1.552
96 1HG LYS 14 1HG LYS 14 3.834 -12.749 1.456
97 2HG LYS 14 2HG LYS 14 3.887 -12.624 3.230
98 1HD LYS 14 1HD LYS 14 3.019 -14.938 3.420
99 2HD LYS 14 2HD LYS 14 2.951 -15.060 1.646
100 1HE LYS 14 1HE LYS 14 5.402 -14.654 1.532
101 2HE LYS 14 2HE LYS 14 5.467 -14.545 3.294
102 1HZ LYS 14 1HZ LYS 14 4.644 -16.960 1.769
103 2HZ LYS 14 2HZ LYS 14 6.078 -16.764 2.519
104 3HZ LYS 14 3HZ LYS 14 4.707 -16.861 3.399
105 H CYS 15 H CYS 15 0.742 -10.839 -0.021
106 HA CYS 15 HA CYS 15 -2.116 -10.780 0.895
107 1HB CYS 15 1HB CYS 15 -2.576 -8.751 -0.382
108 2HB CYS 15 2HB CYS 15 -1.354 -8.461 0.829
109 H ARG 16 H ARG 16 -3.683 -10.961 -0.770
110 HA ARG 16 HA ARG 16 -2.840 -12.087 -3.451
111 1HB ARG 16 1HB ARG 16 -5.305 -12.787 -1.804
112 2HB ARG 16 2HB ARG 16 -4.941 -13.411 -3.403
113 1HG ARG 16 1HG ARG 16 -3.313 -14.014 -0.892
114 2HG ARG 16 2HG ARG 16 -4.582 -15.018 -1.575
115 1HD ARG 16 1HD ARG 16 -2.640 -16.032 -2.333
116 2HD ARG 16 2HD ARG 16 -3.208 -15.118 -3.742
117 HE ARG 16 HE ARG 16 -1.464 -13.396 -2.387
118 1HH1 ARG 16 1HH1 ARG 16 0.593 -13.106 -2.596
119 2HH1 ARG 16 2HH1 ARG 16 1.621 -14.319 -3.348
120 1HH2 ARG 16 1HH2 ARG 16 -0.983 -16.519 -3.886
121 2HH2 ARG 16 2HH2 ARG 16 0.730 -16.231 -4.077
122 H ARG 17 H ARG 17 -4.579 -9.701 -1.780
123 HA ARG 17 HA ARG 17 -5.733 -8.459 -4.218
124 1HB ARG 17 1HB ARG 17 -7.952 -8.204 -3.057
125 2HB ARG 17 2HB ARG 17 -7.569 -9.887 -3.442
126 1HG ARG 17 1HG ARG 17 -6.868 -10.315 -1.142
127 2HG ARG 17 2HG ARG 17 -7.082 -8.609 -0.717
128 1HD ARG 17 1HD ARG 17 -9.520 -8.855 -1.108
129 2HD ARG 17 2HD ARG 17 -9.261 -10.585 -1.451
130 HE ARG 17 HE ARG 17 -7.954 -10.039 0.995
131 1HH1 ARG 17 1HH1 ARG 17 -8.656 -10.428 2.926
132 2HH1 ARG 17 2HH1 ARG 17 -10.363 -10.610 3.280
133 1HH2 ARG 17 1HH2 ARG 17 -11.314 -10.072 -0.003
134 2HH2 ARG 17 2HH2 ARG 17 -11.859 -10.402 1.625
135 H ASP 18 H ASP 18 -6.492 -6.205 -3.721
136 HA ASP 18 HA ASP 18 -4.460 -4.847 -2.154
137 1HB ASP 18 1HB ASP 18 -7.017 -3.672 -3.298
138 2HB ASP 18 2HB ASP 18 -5.563 -2.793 -2.790
139 H SER 19 H SER 19 -7.639 -5.981 -1.368
140 HA SER 19 HA SER 19 -8.238 -4.329 0.912
141 1HB SER 19 1HB SER 19 -9.148 -7.185 0.423
142 2HB SER 19 2HB SER 19 -9.952 -5.961 1.411
143 HG SER 19 HG SER 19 -10.317 -4.753 -0.519
144 H ASP 20 H ASP 20 -6.008 -6.910 0.506
145 HA ASP 20 HA ASP 20 -5.817 -7.808 3.295
146 1HB ASP 20 1HB ASP 20 -4.072 -8.041 0.841
147 2HB ASP 20 2HB ASP 20 -3.618 -8.805 2.322
148 H CYS 21 H CYS 21 -4.799 -4.944 1.719
149 HA CYS 21 HA CYS 21 -2.363 -4.658 3.401
150 1HB CYS 21 1HB CYS 21 -3.173 -3.414 0.750
151 2HB CYS 21 2HB CYS 21 -1.663 -3.094 1.594
152 HA PRO 22 HA PRO 22 -3.636 -0.875 5.459
153 1HB PRO 22 1HB PRO 22 -1.088 0.316 4.371
154 2HB PRO 22 2HB PRO 22 -1.726 0.367 6.041
155 1HG PRO 22 1HG PRO 22 0.277 -1.340 5.392
156 2HG PRO 22 2HG PRO 22 -1.072 -1.892 6.440
157 1HD PRO 22 1HD PRO 22 -0.665 -2.378 3.487
158 2HD PRO 22 2HD PRO 22 -1.205 -3.509 4.763
159 H GLY 23 H GLY 23 -4.083 1.433 5.074
160 1HA GLY 23 1HA GLY 23 -4.956 3.218 3.908
161 2HA GLY 23 2HA GLY 23 -5.792 1.940 3.018
162 H ALA 24 H ALA 24 -2.530 3.380 3.071
163 HA ALA 24 HA ALA 24 -2.761 4.348 0.311
164 1HB ALA 24 1HB ALA 24 -0.441 4.452 2.278
165 2HB ALA 24 2HB ALA 24 -0.560 5.351 0.747
166 3HB ALA 24 3HB ALA 24 -1.693 5.696 2.063
167 H CYS 25 H CYS 25 -1.694 1.374 1.627
168 HA CYS 25 HA CYS 25 0.209 0.704 -0.510
169 1HB CYS 25 1HB CYS 25 -1.089 -0.841 1.746
170 2HB CYS 25 2HB CYS 25 -0.284 -1.666 0.435
171 H ILE 26 H ILE 26 -0.123 -1.113 -1.809
172 HA ILE 26 HA ILE 26 -2.842 -2.069 -2.537
173 HB ILE 26 HB ILE 26 -2.088 -2.221 -4.910
174 1HG1 ILE 26 1HG1 ILE 26 0.050 -0.162 -4.360
175 2HG1 ILE 26 2HG1 ILE 26 0.434 -1.863 -4.210
176 1HG2 ILE 26 1HG2 ILE 26 -3.597 -0.415 -4.148
177 2HG2 ILE 26 2HG2 ILE 26 -2.198 0.639 -3.858
178 3HG2 ILE 26 3HG2 ILE 26 -2.586 0.101 -5.504
179 1HD1 ILE 26 1HD1 ILE 26 -0.801 -0.749 -6.748
180 2HD1 ILE 26 2HD1 ILE 26 0.939 -0.848 -6.465
181 3HD1 ILE 26 3HD1 ILE 26 -0.017 -2.342 -6.484
182 H CYS 27 H CYS 27 -2.553 -4.224 -3.746
183 HA CYS 27 HA CYS 27 -0.412 -5.817 -2.451
184 1HB CYS 27 1HB CYS 27 -2.737 -6.609 -2.502
185 2HB CYS 27 2HB CYS 27 -2.660 -6.739 -4.266
186 H ARG 28 H ARG 28 1.482 -5.577 -3.355
187 HA ARG 28 HA ARG 28 1.950 -4.737 -6.099
188 1HB ARG 28 1HB ARG 28 3.417 -4.928 -3.553
189 2HB ARG 28 2HB ARG 28 4.359 -5.701 -4.805
190 1HG ARG 28 1HG ARG 28 4.951 -3.363 -4.456
191 2HG ARG 28 2HG ARG 28 4.411 -3.676 -6.115
192 1HD ARG 28 1HD ARG 28 2.172 -2.723 -5.512
193 2HD ARG 28 2HD ARG 28 2.750 -2.435 -3.874
194 HE ARG 28 HE ARG 28 3.677 -0.459 -4.622
195 1HH1 ARG 28 1HH1 ARG 28 4.206 1.117 -5.905
196 2HH1 ARG 28 2HH1 ARG 28 4.371 0.888 -7.641
197 1HH2 ARG 28 1HH2 ARG 28 3.362 -2.400 -7.541
198 2HH2 ARG 28 2HH2 ARG 28 3.860 -1.060 -8.537
199 H GLY 29 H GLY 29 3.655 -5.909 -7.340
200 1HA GLY 29 1HA GLY 29 3.887 -7.583 -8.954
201 2HA GLY 29 2HA GLY 29 2.444 -8.356 -8.299
202 H ASN 30 H ASN 30 4.941 -7.828 -6.037
203 HA ASN 30 HA ASN 30 6.287 -10.429 -6.302
204 1HB ASN 30 1HB ASN 30 7.599 -9.734 -4.430
205 2HB ASN 30 2HB ASN 30 7.458 -8.365 -5.530
206 2HD2 ASN 30 2HD2 ASN 30 8.281 -7.923 -2.925
207 1HD2 ASN 30 1HD2 ASN 30 6.972 -7.113 -2.071
208 H GLY 31 H GLY 31 3.283 -9.553 -4.998
209 1HA GLY 31 1HA GLY 31 3.041 -12.126 -3.534
210 2HA GLY 31 2HA GLY 31 1.733 -11.050 -4.019
211 H TYR 32 H TYR 32 3.573 -8.817 -2.717
212 HA TYR 32 HA TYR 32 2.477 -9.087 0.048
213 1HB TYR 32 1HB TYR 32 5.159 -8.021 -0.830
214 2HB TYR 32 2HB TYR 32 4.531 -7.839 0.787
215 HD1 TYR 32 HD1 TYR 32 5.763 -10.378 -1.681
216 HD2 TYR 32 HD2 TYR 32 4.905 -9.458 2.429
217 HE1 TYR 32 HE1 TYR 32 7.070 -12.377 -0.959
218 HE2 TYR 32 HE2 TYR 32 6.285 -11.390 3.167
219 HH TYR 32 HH TYR 32 7.687 -13.089 2.490
220 H CYS 33 H CYS 33 2.353 -6.943 1.141
221 HA CYS 33 HA CYS 33 1.089 -4.963 -0.561
222 1HB CYS 33 1HB CYS 33 1.920 -4.899 2.369
223 2HB CYS 33 2HB CYS 33 0.842 -3.737 1.597
224 H GLY 34 H GLY 34 1.660 -2.801 -0.934
225 1HA GLY 34 1HA GLY 34 4.342 -2.066 -1.470
226 2HA GLY 34 2HA GLY 34 3.961 -1.506 0.164
No H/Q in entry = 226
Start of MODEL 17
1 H SER 1 H SER 1 3.973 0.762 -0.826
2 HA SER 1 HA SER 1 1.544 2.072 -1.007
3 1HB SER 1 1HB SER 1 4.273 3.089 -1.857
4 2HB SER 1 2HB SER 1 2.841 4.091 -1.545
5 HG SER 1 HG SER 1 4.151 3.955 0.306
6 H GLY 2 H GLY 2 0.069 2.328 -2.661
7 1HA GLY 2 1HA GLY 2 -0.744 1.707 -4.801
8 2HA GLY 2 2HA GLY 2 0.883 1.659 -5.438
9 H SER 3 H SER 3 0.107 4.578 -3.702
10 HA SER 3 HA SER 3 0.399 6.125 -6.165
11 1HB SER 3 1HB SER 3 -1.666 7.354 -6.051
12 2HB SER 3 2HB SER 3 -2.063 5.637 -6.124
13 HG SER 3 HG SER 3 -2.440 5.665 -3.890
14 H ASP 4 H ASP 4 0.333 8.495 -5.753
15 HA ASP 4 HA ASP 4 1.706 9.310 -3.280
16 1HB ASP 4 1HB ASP 4 0.770 10.852 -5.735
17 2HB ASP 4 2HB ASP 4 1.707 11.541 -4.412
18 H GLY 5 H GLY 5 -1.524 8.775 -3.949
19 1HA GLY 5 1HA GLY 5 -3.558 9.632 -3.298
20 2HA GLY 5 2HA GLY 5 -2.786 11.168 -2.918
21 H GLY 6 H GLY 6 -1.085 8.992 -1.147
22 1HA GLY 6 1HA GLY 6 -2.712 8.113 0.994
23 2HA GLY 6 2HA GLY 6 -2.109 9.723 1.410
24 H VAL 7 H VAL 7 -1.467 7.410 2.858
25 HA VAL 7 HA VAL 7 1.412 6.885 2.242
26 HB VAL 7 HB VAL 7 1.187 8.616 3.993
27 1HG1 VAL 7 1HG1 VAL 7 -0.901 7.879 5.097
28 2HG1 VAL 7 2HG1 VAL 7 -0.052 6.461 5.751
29 3HG1 VAL 7 3HG1 VAL 7 0.430 8.096 6.240
30 1HG2 VAL 7 1HG2 VAL 7 3.155 7.092 3.925
31 2HG2 VAL 7 2HG2 VAL 7 2.792 7.748 5.528
32 3HG2 VAL 7 3HG2 VAL 7 2.368 6.071 5.157
33 H CYS 8 H CYS 8 2.249 4.926 2.924
34 HA CYS 8 HA CYS 8 0.473 3.067 4.333
35 1HB CYS 8 1HB CYS 8 0.236 2.356 1.975
36 2HB CYS 8 2HB CYS 8 1.984 2.252 1.817
37 HA PRO 9 HA PRO 9 4.418 2.600 6.524
38 1HB PRO 9 1HB PRO 9 3.726 0.524 8.214
39 2HB PRO 9 2HB PRO 9 3.245 2.229 8.436
40 1HG PRO 9 1HG PRO 9 1.648 -0.002 7.147
41 2HG PRO 9 2HG PRO 9 1.111 1.164 8.402
42 1HD PRO 9 1HD PRO 9 0.548 1.554 5.792
43 2HD PRO 9 2HD PRO 9 1.015 2.951 6.807
44 H LYS 10 H LYS 10 3.269 0.512 4.204
45 HA LYS 10 HA LYS 10 4.055 -1.311 3.018
46 1HB LYS 10 1HB LYS 10 6.618 0.218 3.552
47 2HB LYS 10 2HB LYS 10 6.442 -1.060 2.343
48 1HG LYS 10 1HG LYS 10 4.714 0.205 1.166
49 2HG LYS 10 2HG LYS 10 4.799 1.509 2.344
50 1HD LYS 10 1HD LYS 10 7.173 0.616 0.653
51 2HD LYS 10 2HD LYS 10 6.059 1.907 0.188
52 1HE LYS 10 1HE LYS 10 6.586 3.134 2.286
53 2HE LYS 10 2HE LYS 10 7.743 1.873 2.729
54 1HZ LYS 10 1HZ LYS 10 7.942 3.586 0.309
55 2HZ LYS 10 2HZ LYS 10 8.852 3.741 1.654
56 3HZ LYS 10 3HZ LYS 10 9.009 2.415 0.716
57 H ILE 11 H ILE 11 3.350 -2.537 4.973
58 HA ILE 11 HA ILE 11 5.369 -3.834 6.606
59 HB ILE 11 HB ILE 11 3.437 -5.139 7.467
60 1HG1 ILE 11 1HG1 ILE 11 1.695 -3.457 5.595
61 2HG1 ILE 11 2HG1 ILE 11 2.065 -5.162 5.357
62 1HG2 ILE 11 1HG2 ILE 11 4.147 -2.934 8.401
63 2HG2 ILE 11 2HG2 ILE 11 2.928 -2.134 7.390
64 3HG2 ILE 11 3HG2 ILE 11 2.436 -3.272 8.659
65 1HD1 ILE 11 1HD1 ILE 11 0.994 -5.647 7.598
66 2HD1 ILE 11 2HD1 ILE 11 0.460 -3.951 7.634
67 3HD1 ILE 11 3HD1 ILE 11 -0.103 -5.030 6.348
68 H LEU 12 H LEU 12 5.739 -6.022 6.719
69 HA LEU 12 HA LEU 12 6.145 -7.384 4.150
70 1HB LEU 12 1HB LEU 12 6.907 -8.166 6.995
71 2HB LEU 12 2HB LEU 12 7.293 -9.111 5.568
72 HG LEU 12 HG LEU 12 9.226 -7.965 6.226
73 1HD1 LEU 12 1HD1 LEU 12 8.816 -8.208 3.787
74 2HD1 LEU 12 2HD1 LEU 12 8.190 -6.542 3.747
75 3HD1 LEU 12 3HD1 LEU 12 9.878 -6.848 4.194
76 1HD2 LEU 12 1HD2 LEU 12 8.188 -6.029 7.418
77 2HD2 LEU 12 2HD2 LEU 12 9.557 -5.615 6.375
78 3HD2 LEU 12 3HD2 LEU 12 7.913 -5.258 5.833
79 H LYS 13 H LYS 13 3.378 -7.134 5.431
80 HA LYS 13 HA LYS 13 2.318 -9.823 5.737
81 1HB LYS 13 1HB LYS 13 1.228 -7.759 6.582
82 2HB LYS 13 2HB LYS 13 0.941 -7.227 4.913
83 1HG LYS 13 1HG LYS 13 -0.475 -9.230 4.529
84 2HG LYS 13 2HG LYS 13 -0.155 -9.774 6.190
85 1HD LYS 13 1HD LYS 13 -1.189 -7.654 7.042
86 2HD LYS 13 2HD LYS 13 -1.544 -7.186 5.365
87 1HE LYS 13 1HE LYS 13 -2.880 -9.291 5.106
88 2HE LYS 13 2HE LYS 13 -2.574 -9.671 6.810
89 1HZ LYS 13 1HZ LYS 13 -3.730 -7.589 7.391
90 2HZ LYS 13 2HZ LYS 13 -4.000 -7.273 5.799
91 3HZ LYS 13 3HZ LYS 13 -4.717 -8.560 6.520
92 H LYS 14 H LYS 14 2.467 -11.294 4.153
93 HA LYS 14 HA LYS 14 2.518 -10.697 1.307
94 1HB LYS 14 1HB LYS 14 1.970 -13.295 2.817
95 2HB LYS 14 2HB LYS 14 1.978 -13.141 1.053
96 1HG LYS 14 1HG LYS 14 4.321 -12.264 1.164
97 2HG LYS 14 2HG LYS 14 4.317 -12.568 2.912
98 1HD LYS 14 1HD LYS 14 5.445 -14.394 1.903
99 2HD LYS 14 2HD LYS 14 3.857 -15.014 2.390
100 1HE LYS 14 1HE LYS 14 3.045 -14.732 0.052
101 2HE LYS 14 2HE LYS 14 4.606 -14.046 -0.416
102 1HZ LYS 14 1HZ LYS 14 5.635 -16.185 0.141
103 2HZ LYS 14 2HZ LYS 14 4.192 -16.819 0.576
104 3HZ LYS 14 3HZ LYS 14 4.468 -16.405 -0.976
105 H CYS 15 H CYS 15 0.896 -10.760 -0.094
106 HA CYS 15 HA CYS 15 -1.957 -10.993 0.894
107 1HB CYS 15 1HB CYS 15 -2.493 -8.894 -0.284
108 2HB CYS 15 2HB CYS 15 -1.311 -8.674 0.971
109 H ARG 16 H ARG 16 -3.562 -10.838 -0.804
110 HA ARG 16 HA ARG 16 -2.787 -11.733 -3.550
111 1HB ARG 16 1HB ARG 16 -3.406 -13.726 -2.192
112 2HB ARG 16 2HB ARG 16 -4.996 -13.027 -1.891
113 1HG ARG 16 1HG ARG 16 -5.534 -13.153 -4.294
114 2HG ARG 16 2HG ARG 16 -3.884 -13.703 -4.653
115 1HD ARG 16 1HD ARG 16 -4.269 -15.731 -3.294
116 2HD ARG 16 2HD ARG 16 -5.913 -15.172 -2.917
117 HE ARG 16 HE ARG 16 -5.636 -15.219 -5.747
118 1HH1 ARG 16 1HH1 ARG 16 -6.445 -16.820 -7.025
119 2HH1 ARG 16 2HH1 ARG 16 -6.781 -18.390 -6.345
120 1HH2 ARG 16 1HH2 ARG 16 -5.776 -17.582 -3.168
121 2HH2 ARG 16 2HH2 ARG 16 -6.417 -18.819 -4.222
122 H ARG 17 H ARG 17 -4.721 -9.788 -1.500
123 HA ARG 17 HA ARG 17 -6.296 -8.609 -3.782
124 1HB ARG 17 1HB ARG 17 -7.047 -8.911 -0.823
125 2HB ARG 17 2HB ARG 17 -7.931 -7.969 -2.002
126 1HG ARG 17 1HG ARG 17 -9.119 -9.928 -1.588
127 2HG ARG 17 2HG ARG 17 -8.549 -9.952 -3.255
128 1HD ARG 17 1HD ARG 17 -8.508 -12.156 -2.157
129 2HD ARG 17 2HD ARG 17 -6.926 -11.674 -2.737
130 HE ARG 17 HE ARG 17 -6.473 -10.942 -0.286
131 1HH1 ARG 17 1HH1 ARG 17 -6.275 -11.775 1.659
132 2HH1 ARG 17 2HH1 ARG 17 -6.835 -13.405 2.003
133 1HH2 ARG 17 1HH2 ARG 17 -8.385 -13.789 -1.045
134 2HH2 ARG 17 2HH2 ARG 17 -8.040 -14.499 0.511
135 H ASP 18 H ASP 18 -6.578 -6.310 -3.650
136 HA ASP 18 HA ASP 18 -4.480 -4.808 -2.281
137 1HB ASP 18 1HB ASP 18 -7.070 -3.812 -3.520
138 2HB ASP 18 2HB ASP 18 -5.694 -2.813 -3.027
139 H SER 19 H SER 19 -7.681 -5.877 -1.347
140 HA SER 19 HA SER 19 -8.056 -4.113 0.921
141 1HB SER 19 1HB SER 19 -9.877 -5.670 1.501
142 2HB SER 19 2HB SER 19 -9.962 -5.111 -0.178
143 HG SER 19 HG SER 19 -10.301 -7.384 0.032
144 H ASP 20 H ASP 20 -6.071 -6.909 0.457
145 HA ASP 20 HA ASP 20 -5.832 -7.751 3.238
146 1HB ASP 20 1HB ASP 20 -3.948 -7.860 0.865
147 2HB ASP 20 2HB ASP 20 -3.502 -8.537 2.392
148 H CYS 21 H CYS 21 -4.704 -4.938 1.525
149 HA CYS 21 HA CYS 21 -2.487 -4.492 3.428
150 1HB CYS 21 1HB CYS 21 -3.112 -3.248 0.735
151 2HB CYS 21 2HB CYS 21 -1.643 -3.001 1.682
152 HA PRO 22 HA PRO 22 -4.420 -0.936 5.280
153 1HB PRO 22 1HB PRO 22 -2.334 0.210 6.581
154 2HB PRO 22 2HB PRO 22 -2.905 -1.436 6.989
155 1HG PRO 22 1HG PRO 22 -0.599 -0.667 5.173
156 2HG PRO 22 2HG PRO 22 -0.584 -1.834 6.530
157 1HD PRO 22 1HD PRO 22 -0.941 -2.607 3.922
158 2HD PRO 22 2HD PRO 22 -1.750 -3.444 5.284
159 H GLY 23 H GLY 23 -4.423 1.395 5.391
160 1HA GLY 23 1HA GLY 23 -2.816 3.321 4.364
161 2HA GLY 23 2HA GLY 23 -4.567 3.479 4.413
162 H ALA 24 H ALA 24 -1.967 3.767 2.477
163 HA ALA 24 HA ALA 24 -3.554 3.727 -0.031
164 1HB ALA 24 1HB ALA 24 -2.466 5.812 0.748
165 2HB ALA 24 2HB ALA 24 -1.882 5.290 -0.839
166 3HB ALA 24 3HB ALA 24 -0.875 5.023 0.598
167 H CYS 25 H CYS 25 -1.795 1.379 1.376
168 HA CYS 25 HA CYS 25 -0.071 0.593 -0.824
169 1HB CYS 25 1HB CYS 25 -1.099 -0.862 1.611
170 2HB CYS 25 2HB CYS 25 -0.354 -1.709 0.290
171 H ILE 26 H ILE 26 -0.283 -1.206 -2.031
172 HA ILE 26 HA ILE 26 -2.935 -2.359 -2.750
173 HB ILE 26 HB ILE 26 -2.061 -2.556 -5.096
174 1HG1 ILE 26 1HG1 ILE 26 -0.001 -0.448 -4.389
175 2HG1 ILE 26 2HG1 ILE 26 0.396 -2.156 -4.386
176 1HG2 ILE 26 1HG2 ILE 26 -3.706 -0.840 -4.465
177 2HG2 ILE 26 2HG2 ILE 26 -2.403 0.301 -4.090
178 3HG2 ILE 26 3HG2 ILE 26 -2.650 -0.260 -5.757
179 1HD1 ILE 26 1HD1 ILE 26 -0.696 -0.734 -6.832
180 2HD1 ILE 26 2HD1 ILE 26 1.015 -1.013 -6.490
181 3HD1 ILE 26 3HD1 ILE 26 -0.057 -2.408 -6.717
182 H CYS 27 H CYS 27 -2.536 -4.527 -3.851
183 HA CYS 27 HA CYS 27 -0.297 -5.958 -2.510
184 1HB CYS 27 1HB CYS 27 -2.601 -6.876 -2.524
185 2HB CYS 27 2HB CYS 27 -2.488 -7.107 -4.276
186 H ARG 28 H ARG 28 1.557 -5.670 -3.478
187 HA ARG 28 HA ARG 28 1.907 -4.800 -6.230
188 1HB ARG 28 1HB ARG 28 3.894 -5.739 -4.100
189 2HB ARG 28 2HB ARG 28 4.357 -4.944 -5.595
190 1HG ARG 28 1HG ARG 28 2.595 -3.657 -3.458
191 2HG ARG 28 2HG ARG 28 4.346 -3.500 -3.516
192 1HD ARG 28 1HD ARG 28 2.512 -2.673 -5.791
193 2HD ARG 28 2HD ARG 28 3.038 -1.577 -4.511
194 HE ARG 28 HE ARG 28 5.426 -2.199 -5.241
195 1HH1 ARG 28 1HH1 ARG 28 6.766 -1.740 -6.910
196 2HH1 ARG 28 2HH1 ARG 28 6.108 -1.444 -8.495
197 1HH2 ARG 28 1HH2 ARG 28 2.842 -1.917 -7.601
198 2HH2 ARG 28 2HH2 ARG 28 3.963 -1.548 -8.883
199 H GLY 29 H GLY 29 3.608 -5.906 -7.544
200 1HA GLY 29 1HA GLY 29 3.998 -7.616 -9.098
201 2HA GLY 29 2HA GLY 29 2.584 -8.452 -8.454
202 H ASN 30 H ASN 30 5.018 -7.695 -6.187
203 HA ASN 30 HA ASN 30 6.469 -10.258 -6.300
204 1HB ASN 30 1HB ASN 30 7.702 -9.385 -4.375
205 2HB ASN 30 2HB ASN 30 7.654 -8.224 -5.699
206 2HD2 ASN 30 2HD2 ASN 30 8.220 -6.560 -4.093
207 1HD2 ASN 30 1HD2 ASN 30 6.936 -5.952 -3.052
208 H GLY 31 H GLY 31 3.436 -9.429 -5.034
209 1HA GLY 31 1HA GLY 31 3.291 -11.961 -3.499
210 2HA GLY 31 2HA GLY 31 1.951 -10.940 -4.000
211 H TYR 32 H TYR 32 3.715 -8.623 -2.704
212 HA TYR 32 HA TYR 32 2.614 -8.934 0.068
213 1HB TYR 32 1HB TYR 32 5.203 -7.718 -0.863
214 2HB TYR 32 2HB TYR 32 4.590 -7.517 0.755
215 HD1 TYR 32 HD1 TYR 32 4.921 -9.140 2.429
216 HD2 TYR 32 HD2 TYR 32 6.074 -9.965 -1.629
217 HE1 TYR 32 HE1 TYR 32 6.502 -10.903 3.245
218 HE2 TYR 32 HE2 TYR 32 7.549 -11.812 -0.843
219 HH TYR 32 HH TYR 32 8.429 -12.898 0.970
220 H CYS 33 H CYS 33 2.323 -6.845 1.169
221 HA CYS 33 HA CYS 33 0.947 -4.901 -0.446
222 1HB CYS 33 1HB CYS 33 1.894 -4.882 2.447
223 2HB CYS 33 2HB CYS 33 0.823 -3.669 1.742
224 H GLY 34 H GLY 34 1.547 -2.861 -1.143
225 1HA GLY 34 1HA GLY 34 4.126 -1.995 -1.731
226 2HA GLY 34 2HA GLY 34 3.849 -1.446 -0.078
No H/Q in entry = 226
Start of MODEL 18
1 H SER 1 H SER 1 4.135 0.684 -0.726
2 HA SER 1 HA SER 1 1.605 1.941 -0.742
3 1HB SER 1 1HB SER 1 3.727 2.909 0.116
4 2HB SER 1 2HB SER 1 4.203 3.256 -1.563
5 HG SER 1 HG SER 1 3.127 5.042 -0.609
6 H GLY 2 H GLY 2 0.178 2.443 -2.303
7 1HA GLY 2 1HA GLY 2 -0.592 1.810 -4.548
8 2HA GLY 2 2HA GLY 2 0.954 2.301 -5.208
9 H SER 3 H SER 3 -1.649 3.668 -3.146
10 HA SER 3 HA SER 3 -2.379 5.706 -5.051
11 1HB SER 3 1HB SER 3 -3.202 5.352 -2.147
12 2HB SER 3 2HB SER 3 -3.943 6.465 -3.313
13 HG SER 3 HG SER 3 -5.082 4.478 -3.187
14 H ASP 4 H ASP 4 -0.869 7.211 -5.494
15 HA ASP 4 HA ASP 4 1.035 8.376 -3.822
16 1HB ASP 4 1HB ASP 4 0.990 8.399 -6.300
17 2HB ASP 4 2HB ASP 4 -0.324 9.573 -6.265
18 H GLY 5 H GLY 5 -2.336 9.233 -3.963
19 1HA GLY 5 1HA GLY 5 -3.600 10.913 -2.959
20 2HA GLY 5 2HA GLY 5 -2.141 11.856 -2.691
21 H GLY 6 H GLY 6 -1.555 8.849 -1.347
22 1HA GLY 6 1HA GLY 6 -2.764 8.148 0.848
23 2HA GLY 6 2HA GLY 6 -2.253 9.737 1.420
24 H VAL 7 H VAL 7 -1.521 7.460 2.741
25 HA VAL 7 HA VAL 7 1.338 6.939 2.111
26 HB VAL 7 HB VAL 7 1.204 8.813 3.724
27 1HG1 VAL 7 1HG1 VAL 7 -0.843 8.186 4.970
28 2HG1 VAL 7 2HG1 VAL 7 0.024 6.815 5.698
29 3HG1 VAL 7 3HG1 VAL 7 0.535 8.479 6.037
30 1HG2 VAL 7 1HG2 VAL 7 3.154 7.270 3.694
31 2HG2 VAL 7 2HG2 VAL 7 2.864 8.043 5.259
32 3HG2 VAL 7 3HG2 VAL 7 2.410 6.350 5.028
33 H CYS 8 H CYS 8 2.180 5.014 2.953
34 HA CYS 8 HA CYS 8 0.337 3.210 4.403
35 1HB CYS 8 1HB CYS 8 0.265 2.434 2.048
36 2HB CYS 8 2HB CYS 8 2.024 2.350 2.027
37 HA PRO 9 HA PRO 9 4.040 2.735 7.021
38 1HB PRO 9 1HB PRO 9 2.494 0.210 7.653
39 2HB PRO 9 2HB PRO 9 3.388 1.287 8.775
40 1HG PRO 9 1HG PRO 9 0.707 1.495 8.569
41 2HG PRO 9 2HG PRO 9 1.707 2.987 8.573
42 1HD PRO 9 1HD PRO 9 0.460 1.564 6.213
43 2HD PRO 9 2HD PRO 9 0.571 3.322 6.560
44 H LYS 10 H LYS 10 3.162 0.640 4.452
45 HA LYS 10 HA LYS 10 4.178 -1.046 3.240
46 1HB LYS 10 1HB LYS 10 6.520 0.748 3.925
47 2HB LYS 10 2HB LYS 10 6.613 -0.554 2.738
48 1HG LYS 10 1HG LYS 10 5.023 0.424 1.294
49 2HG LYS 10 2HG LYS 10 4.497 1.615 2.480
50 1HD LYS 10 1HD LYS 10 7.324 1.533 1.344
51 2HD LYS 10 2HD LYS 10 6.013 2.497 0.651
52 1HE LYS 10 1HE LYS 10 5.714 3.676 2.822
53 2HE LYS 10 2HE LYS 10 7.049 2.748 3.510
54 1HZ LYS 10 1HZ LYS 10 8.524 3.748 1.846
55 2HZ LYS 10 2HZ LYS 10 7.292 4.616 1.211
56 3HZ LYS 10 3HZ LYS 10 7.804 4.913 2.730
57 H ILE 11 H ILE 11 3.493 -2.307 5.218
58 HA ILE 11 HA ILE 11 5.592 -3.628 6.760
59 HB ILE 11 HB ILE 11 3.694 -5.024 7.592
60 1HG1 ILE 11 1HG1 ILE 11 1.905 -3.221 5.884
61 2HG1 ILE 11 2HG1 ILE 11 2.242 -4.919 5.557
62 1HG2 ILE 11 1HG2 ILE 11 4.444 -2.896 8.661
63 2HG2 ILE 11 2HG2 ILE 11 3.188 -2.025 7.758
64 3HG2 ILE 11 3HG2 ILE 11 2.743 -3.255 8.957
65 1HD1 ILE 11 1HD1 ILE 11 1.229 -5.484 7.811
66 2HD1 ILE 11 2HD1 ILE 11 0.721 -3.784 7.930
67 3HD1 ILE 11 3HD1 ILE 11 0.104 -4.799 6.618
68 H LEU 12 H LEU 12 5.944 -5.844 6.752
69 HA LEU 12 HA LEU 12 6.290 -7.061 4.096
70 1HB LEU 12 1HB LEU 12 7.034 -8.123 6.845
71 2HB LEU 12 2HB LEU 12 7.542 -8.803 5.296
72 HG LEU 12 HG LEU 12 8.317 -6.037 6.332
73 1HD1 LEU 12 1HD1 LEU 12 9.361 -7.889 7.581
74 2HD1 LEU 12 2HD1 LEU 12 9.933 -8.605 6.056
75 3HD1 LEU 12 3HD1 LEU 12 10.548 -7.024 6.593
76 1HD2 LEU 12 1HD2 LEU 12 9.206 -7.570 3.843
77 2HD2 LEU 12 2HD2 LEU 12 8.283 -6.049 3.874
78 3HD2 LEU 12 3HD2 LEU 12 9.951 -6.074 4.451
79 H LYS 13 H LYS 13 3.537 -6.850 5.329
80 HA LYS 13 HA LYS 13 2.488 -9.526 5.725
81 1HB LYS 13 1HB LYS 13 1.409 -7.428 6.506
82 2HB LYS 13 2HB LYS 13 1.076 -6.974 4.825
83 1HG LYS 13 1HG LYS 13 -0.328 -9.010 4.568
84 2HG LYS 13 2HG LYS 13 0.050 -9.478 6.241
85 1HD LYS 13 1HD LYS 13 -0.998 -7.331 7.026
86 2HD LYS 13 2HD LYS 13 -1.426 -6.964 5.340
87 1HE LYS 13 1HE LYS 13 -2.692 -9.142 5.255
88 2HE LYS 13 2HE LYS 13 -2.337 -9.379 6.975
89 1HZ LYS 13 1HZ LYS 13 -3.543 -7.282 7.411
90 2HZ LYS 13 2HZ LYS 13 -3.871 -7.124 5.807
91 3HZ LYS 13 3HZ LYS 13 -4.518 -8.363 6.665
92 H LYS 14 H LYS 14 2.490 -11.071 4.213
93 HA LYS 14 HA LYS 14 2.560 -10.586 1.350
94 1HB LYS 14 1HB LYS 14 2.052 -13.100 3.002
95 2HB LYS 14 2HB LYS 14 1.907 -13.052 1.242
96 1HG LYS 14 1HG LYS 14 4.274 -12.039 1.215
97 2HG LYS 14 2HG LYS 14 4.389 -12.529 2.907
98 1HD LYS 14 1HD LYS 14 5.443 -14.195 1.505
99 2HD LYS 14 2HD LYS 14 3.995 -14.890 2.224
100 1HE LYS 14 1HE LYS 14 4.279 -15.545 -0.139
101 2HE LYS 14 2HE LYS 14 2.768 -14.675 0.126
102 1HZ LYS 14 1HZ LYS 14 5.232 -13.407 -0.951
103 2HZ LYS 14 2HZ LYS 14 3.996 -13.939 -1.875
104 3HZ LYS 14 3HZ LYS 14 3.751 -12.703 -0.834
105 H CYS 15 H CYS 15 0.942 -10.767 -0.072
106 HA CYS 15 HA CYS 15 -1.908 -10.942 0.904
107 1HB CYS 15 1HB CYS 15 -2.465 -8.888 -0.327
108 2HB CYS 15 2HB CYS 15 -1.272 -8.609 0.904
109 H ARG 16 H ARG 16 -3.480 -10.815 -0.816
110 HA ARG 16 HA ARG 16 -2.795 -12.236 -3.377
111 1HB ARG 16 1HB ARG 16 -5.429 -12.514 -1.878
112 2HB ARG 16 2HB ARG 16 -4.879 -13.396 -3.279
113 1HG ARG 16 1HG ARG 16 -4.781 -14.923 -1.537
114 2HG ARG 16 2HG ARG 16 -3.106 -14.494 -1.847
115 1HD ARG 16 1HD ARG 16 -3.768 -14.762 0.589
116 2HD ARG 16 2HD ARG 16 -2.948 -13.273 0.205
117 HE ARG 16 HE ARG 16 -4.904 -12.018 0.602
118 1HH1 ARG 16 1HH1 ARG 16 -6.722 -11.627 1.654
119 2HH1 ARG 16 2HH1 ARG 16 -7.868 -12.919 1.978
120 1HH2 ARG 16 1HH2 ARG 16 -5.822 -15.404 0.760
121 2HH2 ARG 16 2HH2 ARG 16 -7.350 -15.018 1.506
122 H ARG 17 H ARG 17 -4.566 -9.713 -1.734
123 HA ARG 17 HA ARG 17 -5.376 -8.399 -4.274
124 1HB ARG 17 1HB ARG 17 -7.717 -8.088 -3.347
125 2HB ARG 17 2HB ARG 17 -7.335 -9.709 -3.915
126 1HG ARG 17 1HG ARG 17 -7.249 -10.620 -1.742
127 2HG ARG 17 2HG ARG 17 -7.008 -9.048 -0.974
128 1HD ARG 17 1HD ARG 17 -9.273 -10.021 -0.602
129 2HD ARG 17 2HD ARG 17 -9.238 -8.399 -1.275
130 HE ARG 17 HE ARG 17 -9.772 -10.848 -2.919
131 1HH1 ARG 17 1HH1 ARG 17 -11.283 -10.694 -4.506
132 2HH1 ARG 17 2HH1 ARG 17 -12.136 -9.198 -4.759
133 1HH2 ARG 17 1HH2 ARG 17 -10.566 -7.459 -2.252
134 2HH2 ARG 17 2HH2 ARG 17 -11.744 -7.439 -3.535
135 H ASP 18 H ASP 18 -6.312 -6.210 -3.848
136 HA ASP 18 HA ASP 18 -4.416 -4.762 -2.225
137 1HB ASP 18 1HB ASP 18 -6.983 -3.737 -3.489
138 2HB ASP 18 2HB ASP 18 -5.616 -2.761 -2.932
139 H SER 19 H SER 19 -7.582 -5.988 -1.539
140 HA SER 19 HA SER 19 -8.309 -4.330 0.696
141 1HB SER 19 1HB SER 19 -9.130 -7.221 0.470
142 2HB SER 19 2HB SER 19 -10.049 -5.853 1.092
143 HG SER 19 HG SER 19 -10.197 -5.063 -1.071
144 H ASP 20 H ASP 20 -5.979 -6.852 0.385
145 HA ASP 20 HA ASP 20 -5.842 -7.730 3.171
146 1HB ASP 20 1HB ASP 20 -3.916 -7.845 0.831
147 2HB ASP 20 2HB ASP 20 -3.569 -8.623 2.330
148 H CYS 21 H CYS 21 -4.773 -4.854 1.553
149 HA CYS 21 HA CYS 21 -2.520 -4.470 3.443
150 1HB CYS 21 1HB CYS 21 -3.104 -3.224 0.744
151 2HB CYS 21 2HB CYS 21 -1.643 -2.997 1.708
152 HA PRO 22 HA PRO 22 -4.484 -0.943 5.299
153 1HB PRO 22 1HB PRO 22 -2.423 0.188 6.655
154 2HB PRO 22 2HB PRO 22 -3.007 -1.462 7.031
155 1HG PRO 22 1HG PRO 22 -0.658 -0.678 5.274
156 2HG PRO 22 2HG PRO 22 -0.680 -1.863 6.618
157 1HD PRO 22 1HD PRO 22 -0.980 -2.606 3.997
158 2HD PRO 22 2HD PRO 22 -1.823 -3.453 5.327
159 H GLY 23 H GLY 23 -4.547 1.373 5.397
160 1HA GLY 23 1HA GLY 23 -2.923 3.336 4.455
161 2HA GLY 23 2HA GLY 23 -4.677 3.461 4.421
162 H ALA 24 H ALA 24 -2.001 3.821 2.604
163 HA ALA 24 HA ALA 24 -3.473 3.868 0.048
164 1HB ALA 24 1HB ALA 24 -2.184 5.819 0.836
165 2HB ALA 24 2HB ALA 24 -1.543 5.193 -0.692
166 3HB ALA 24 3HB ALA 24 -0.688 4.839 0.804
167 H CYS 25 H CYS 25 -1.751 1.415 1.531
168 HA CYS 25 HA CYS 25 -0.057 0.608 -0.659
169 1HB CYS 25 1HB CYS 25 -1.076 -0.863 1.770
170 2HB CYS 25 2HB CYS 25 -0.280 -1.678 0.456
171 H ILE 26 H ILE 26 -0.218 -1.140 -1.897
172 HA ILE 26 HA ILE 26 -2.852 -2.286 -2.711
173 HB ILE 26 HB ILE 26 -1.869 -2.434 -5.032
174 1HG1 ILE 26 1HG1 ILE 26 0.104 -0.290 -4.186
175 2HG1 ILE 26 2HG1 ILE 26 0.545 -1.987 -4.188
176 1HG2 ILE 26 1HG2 ILE 26 -3.575 -0.765 -4.431
177 2HG2 ILE 26 2HG2 ILE 26 -2.313 0.386 -3.957
178 3HG2 ILE 26 3HG2 ILE 26 -2.471 -0.123 -5.651
179 1HD1 ILE 26 1HD1 ILE 26 -0.474 -0.574 -6.671
180 2HD1 ILE 26 2HD1 ILE 26 1.226 -0.745 -6.236
181 3HD1 ILE 26 3HD1 ILE 26 0.258 -2.209 -6.538
182 H CYS 27 H CYS 27 -2.488 -4.420 -3.793
183 HA CYS 27 HA CYS 27 -0.293 -5.928 -2.467
184 1HB CYS 27 1HB CYS 27 -2.608 -6.795 -2.460
185 2HB CYS 27 2HB CYS 27 -2.549 -6.969 -4.224
186 H ARG 28 H ARG 28 1.566 -5.667 -3.440
187 HA ARG 28 HA ARG 28 1.940 -4.794 -6.180
188 1HB ARG 28 1HB ARG 28 3.900 -5.852 -4.084
189 2HB ARG 28 2HB ARG 28 4.382 -5.036 -5.562
190 1HG ARG 28 1HG ARG 28 2.722 -3.761 -3.335
191 2HG ARG 28 2HG ARG 28 4.469 -3.632 -3.479
192 1HD ARG 28 1HD ARG 28 2.511 -2.683 -5.599
193 2HD ARG 28 2HD ARG 28 3.194 -1.652 -4.346
194 HE ARG 28 HE ARG 28 5.457 -2.139 -5.264
195 1HH1 ARG 28 1HH1 ARG 28 6.703 -1.910 -7.046
196 2HH1 ARG 28 2HH1 ARG 28 5.979 -1.969 -8.628
197 1HH2 ARG 28 1HH2 ARG 28 2.781 -2.467 -7.521
198 2HH2 ARG 28 2HH2 ARG 28 3.839 -2.289 -8.895
199 H GLY 29 H GLY 29 3.622 -5.978 -7.498
200 1HA GLY 29 1HA GLY 29 3.884 -7.670 -9.097
201 2HA GLY 29 2HA GLY 29 2.408 -8.408 -8.479
202 H ASN 30 H ASN 30 4.903 -7.916 -6.206
203 HA ASN 30 HA ASN 30 6.097 -10.616 -6.376
204 1HB ASN 30 1HB ASN 30 7.500 -9.867 -4.525
205 2HB ASN 30 2HB ASN 30 7.511 -8.702 -5.846
206 2HD2 ASN 30 2HD2 ASN 30 8.422 -7.323 -4.006
207 1HD2 ASN 30 1HD2 ASN 30 7.214 -6.488 -3.034
208 H GLY 31 H GLY 31 3.186 -9.530 -5.090
209 1HA GLY 31 1HA GLY 31 2.799 -11.993 -3.540
210 2HA GLY 31 2HA GLY 31 1.609 -10.737 -3.859
211 H TYR 32 H TYR 32 3.397 -8.602 -2.773
212 HA TYR 32 HA TYR 32 2.684 -8.932 0.106
213 1HB TYR 32 1HB TYR 32 5.208 -7.785 -1.084
214 2HB TYR 32 2HB TYR 32 4.720 -7.462 0.556
215 HD1 TYR 32 HD1 TYR 32 5.034 -9.025 2.311
216 HD2 TYR 32 HD2 TYR 32 6.044 -10.060 -1.738
217 HE1 TYR 32 HE1 TYR 32 6.605 -10.763 3.166
218 HE2 TYR 32 HE2 TYR 32 7.529 -11.891 -0.898
219 HH TYR 32 HH TYR 32 8.057 -12.450 2.599
220 H CYS 33 H CYS 33 2.305 -6.913 1.200
221 HA CYS 33 HA CYS 33 0.958 -4.916 -0.385
222 1HB CYS 33 1HB CYS 33 1.869 -4.970 2.517
223 2HB CYS 33 2HB CYS 33 0.835 -3.718 1.825
224 H GLY 34 H GLY 34 1.580 -2.842 -0.992
225 1HA GLY 34 1HA GLY 34 4.163 -2.048 -1.623
226 2HA GLY 34 2HA GLY 34 3.951 -1.523 0.055
No H/Q in entry = 226
Start of MODEL 19
1 H SER 1 H SER 1 4.439 0.548 -0.958
2 HA SER 1 HA SER 1 2.093 2.029 -0.986
3 1HB SER 1 1HB SER 1 4.780 2.773 -2.186
4 2HB SER 1 2HB SER 1 3.459 3.901 -1.817
5 HG SER 1 HG SER 1 4.884 3.862 -0.093
6 H GLY 2 H GLY 2 0.454 2.146 -2.402
7 1HA GLY 2 1HA GLY 2 -0.623 1.978 -4.560
8 2HA GLY 2 2HA GLY 2 0.938 2.033 -5.353
9 H SER 3 H SER 3 0.513 4.266 -2.777
10 HA SER 3 HA SER 3 0.851 6.549 -4.628
11 1HB SER 3 1HB SER 3 -1.551 6.545 -4.045
12 2HB SER 3 2HB SER 3 -1.135 6.572 -2.321
13 HG SER 3 HG SER 3 -1.544 8.683 -3.218
14 H ASP 4 H ASP 4 2.883 7.070 -4.105
15 HA ASP 4 HA ASP 4 4.229 6.380 -1.719
16 1HB ASP 4 1HB ASP 4 5.245 6.795 -3.950
17 2HB ASP 4 2HB ASP 4 4.935 8.520 -3.760
18 H GLY 5 H GLY 5 2.317 9.221 -2.353
19 1HA GLY 5 1HA GLY 5 2.023 11.225 -1.153
20 2HA GLY 5 2HA GLY 5 3.320 10.782 -0.051
21 H GLY 6 H GLY 6 1.237 8.145 -0.253
22 1HA GLY 6 1HA GLY 6 -0.880 7.700 0.761
23 2HA GLY 6 2HA GLY 6 -0.690 9.081 1.830
24 H VAL 7 H VAL 7 -1.488 7.201 3.207
25 HA VAL 7 HA VAL 7 0.675 6.312 4.948
26 HB VAL 7 HB VAL 7 -2.308 5.734 5.139
27 1HG1 VAL 7 1HG1 VAL 7 -0.067 5.552 7.217
28 2HG1 VAL 7 2HG1 VAL 7 -1.802 5.352 7.545
29 3HG1 VAL 7 3HG1 VAL 7 -0.965 4.178 6.532
30 1HG2 VAL 7 1HG2 VAL 7 -0.614 7.919 6.430
31 2HG2 VAL 7 2HG2 VAL 7 -1.895 8.161 5.222
32 3HG2 VAL 7 3HG2 VAL 7 -2.307 7.557 6.827
33 H CYS 8 H CYS 8 1.919 4.854 3.797
34 HA CYS 8 HA CYS 8 0.797 2.115 3.872
35 1HB CYS 8 1HB CYS 8 0.797 2.668 1.521
36 2HB CYS 8 2HB CYS 8 2.515 3.091 1.588
37 HA PRO 9 HA PRO 9 4.386 2.113 6.677
38 1HB PRO 9 1HB PRO 9 3.226 -0.647 7.093
39 2HB PRO 9 2HB PRO 9 3.886 0.489 8.310
40 1HG PRO 9 1HG PRO 9 1.219 0.267 7.985
41 2HG PRO 9 2HG PRO 9 1.954 1.901 8.121
42 1HD PRO 9 1HD PRO 9 1.119 0.421 5.615
43 2HD PRO 9 2HD PRO 9 0.824 2.123 6.077
44 H LYS 10 H LYS 10 3.838 -0.052 4.022
45 HA LYS 10 HA LYS 10 5.076 -1.633 2.871
46 1HB LYS 10 1HB LYS 10 7.199 0.445 3.479
47 2HB LYS 10 2HB LYS 10 7.444 -0.913 2.377
48 1HG LYS 10 1HG LYS 10 5.626 -0.187 0.944
49 2HG LYS 10 2HG LYS 10 5.247 1.169 2.015
50 1HD LYS 10 1HD LYS 10 7.971 0.800 0.685
51 2HD LYS 10 2HD LYS 10 6.644 1.691 -0.064
52 1HE LYS 10 1HE LYS 10 6.524 3.191 1.927
53 2HE LYS 10 2HE LYS 10 7.905 2.345 2.635
54 1HZ LYS 10 1HZ LYS 10 9.234 3.047 0.710
55 2HZ LYS 10 2HZ LYS 10 7.959 3.841 0.066
56 3HZ LYS 10 3HZ LYS 10 8.614 4.349 1.469
57 H ILE 11 H ILE 11 4.664 -3.228 4.422
58 HA ILE 11 HA ILE 11 7.081 -4.263 5.845
59 HB ILE 11 HB ILE 11 5.799 -5.071 7.637
60 1HG1 ILE 11 1HG1 ILE 11 3.739 -5.806 6.734
61 2HG1 ILE 11 2HG1 ILE 11 3.423 -4.677 8.026
62 1HG2 ILE 11 1HG2 ILE 11 6.551 -2.756 7.790
63 2HG2 ILE 11 2HG2 ILE 11 4.981 -2.187 7.195
64 3HG2 ILE 11 3HG2 ILE 11 5.085 -3.047 8.742
65 1HD1 ILE 11 1HD1 ILE 11 2.913 -2.904 6.294
66 2HD1 ILE 11 2HD1 ILE 11 3.073 -4.165 5.046
67 3HD1 ILE 11 3HD1 ILE 11 1.821 -4.298 6.284
68 H LEU 12 H LEU 12 6.881 -6.622 6.380
69 HA LEU 12 HA LEU 12 6.629 -8.131 3.928
70 1HB LEU 12 1HB LEU 12 7.249 -9.045 6.761
71 2HB LEU 12 2HB LEU 12 7.478 -10.003 5.297
72 HG LEU 12 HG LEU 12 8.979 -7.429 5.941
73 1HD1 LEU 12 1HD1 LEU 12 9.603 -9.325 7.388
74 2HD1 LEU 12 2HD1 LEU 12 9.881 -10.339 5.953
75 3HD1 LEU 12 3HD1 LEU 12 10.903 -8.916 6.259
76 1HD2 LEU 12 1HD2 LEU 12 9.297 -9.422 3.649
77 2HD2 LEU 12 2HD2 LEU 12 8.789 -7.722 3.509
78 3HD2 LEU 12 3HD2 LEU 12 10.430 -8.106 4.032
79 H LYS 13 H LYS 13 4.057 -7.137 4.935
80 HA LYS 13 HA LYS 13 2.414 -9.479 5.639
81 1HB LYS 13 1HB LYS 13 1.784 -7.206 6.342
82 2HB LYS 13 2HB LYS 13 1.600 -6.709 4.653
83 1HG LYS 13 1HG LYS 13 -0.198 -8.366 4.336
84 2HG LYS 13 2HG LYS 13 0.039 -8.988 5.972
85 1HD LYS 13 1HD LYS 13 -0.867 -6.152 5.293
86 2HD LYS 13 2HD LYS 13 -1.931 -7.503 5.720
87 1HE LYS 13 1HE LYS 13 -0.736 -7.725 7.911
88 2HE LYS 13 2HE LYS 13 0.200 -6.277 7.519
89 1HZ LYS 13 1HZ LYS 13 -2.762 -6.379 7.763
90 2HZ LYS 13 2HZ LYS 13 -1.751 -5.756 8.880
91 3HZ LYS 13 3HZ LYS 13 -1.900 -5.034 7.424
92 H LYS 14 H LYS 14 2.578 -11.069 4.160
93 HA LYS 14 HA LYS 14 2.450 -10.752 1.289
94 1HB LYS 14 1HB LYS 14 2.082 -13.138 1.204
95 2HB LYS 14 2HB LYS 14 3.415 -12.749 2.285
96 1HG LYS 14 1HG LYS 14 1.890 -13.067 4.253
97 2HG LYS 14 2HG LYS 14 0.589 -13.529 3.136
98 1HD LYS 14 1HD LYS 14 1.967 -15.419 2.310
99 2HD LYS 14 2HD LYS 14 3.269 -14.956 3.428
100 1HE LYS 14 1HE LYS 14 1.728 -15.284 5.351
101 2HE LYS 14 2HE LYS 14 0.434 -15.746 4.240
102 1HZ LYS 14 1HZ LYS 14 2.995 -17.217 4.575
103 2HZ LYS 14 2HZ LYS 14 1.550 -17.697 5.159
104 3HZ LYS 14 3HZ LYS 14 1.799 -17.646 3.546
105 H CYS 15 H CYS 15 0.787 -10.929 -0.042
106 HA CYS 15 HA CYS 15 -2.040 -11.026 0.988
107 1HB CYS 15 1HB CYS 15 -2.552 -8.922 -0.229
108 2HB CYS 15 2HB CYS 15 -1.411 -8.707 1.062
109 H ARG 16 H ARG 16 -3.657 -10.947 -0.698
110 HA ARG 16 HA ARG 16 -2.900 -12.012 -3.418
111 1HB ARG 16 1HB ARG 16 -5.364 -12.710 -1.763
112 2HB ARG 16 2HB ARG 16 -5.075 -13.229 -3.414
113 1HG ARG 16 1HG ARG 16 -3.400 -14.089 -1.009
114 2HG ARG 16 2HG ARG 16 -4.737 -14.984 -1.715
115 1HD ARG 16 1HD ARG 16 -2.852 -16.018 -2.605
116 2HD ARG 16 2HD ARG 16 -3.449 -14.999 -3.927
117 HE ARG 16 HE ARG 16 -1.568 -13.467 -2.470
118 1HH1 ARG 16 1HH1 ARG 16 0.446 -13.154 -2.898
119 2HH1 ARG 16 2HH1 ARG 16 1.358 -14.258 -3.921
120 1HH2 ARG 16 1HH2 ARG 16 -1.343 -16.347 -4.442
121 2HH2 ARG 16 2HH2 ARG 16 0.341 -16.049 -4.793
122 H ARG 17 H ARG 17 -4.765 -9.777 -1.504
123 HA ARG 17 HA ARG 17 -5.875 -8.451 -3.966
124 1HB ARG 17 1HB ARG 17 -7.275 -8.601 -1.273
125 2HB ARG 17 2HB ARG 17 -7.932 -7.996 -2.780
126 1HG ARG 17 1HG ARG 17 -7.432 -10.877 -1.975
127 2HG ARG 17 2HG ARG 17 -8.970 -10.065 -2.190
128 1HD ARG 17 1HD ARG 17 -7.050 -11.008 -4.328
129 2HD ARG 17 2HD ARG 17 -8.702 -11.494 -4.052
130 HE ARG 17 HE ARG 17 -9.467 -9.300 -4.851
131 1HH1 ARG 17 1HH1 ARG 17 -9.454 -8.000 -6.615
132 2HH1 ARG 17 2HH1 ARG 17 -8.022 -7.873 -7.598
133 1HH2 ARG 17 1HH2 ARG 17 -6.117 -10.022 -5.724
134 2HH2 ARG 17 2HH2 ARG 17 -6.219 -9.008 -7.140
135 H ASP 18 H ASP 18 -6.345 -6.166 -3.672
136 HA ASP 18 HA ASP 18 -4.308 -4.741 -2.162
137 1HB ASP 18 1HB ASP 18 -6.860 -3.670 -3.422
138 2HB ASP 18 2HB ASP 18 -5.470 -2.716 -2.886
139 H SER 19 H SER 19 -7.531 -5.823 -1.375
140 HA SER 19 HA SER 19 -8.032 -4.108 0.903
141 1HB SER 19 1HB SER 19 -9.846 -5.751 1.365
142 2HB SER 19 2HB SER 19 -9.880 -5.082 -0.274
143 HG SER 19 HG SER 19 -10.181 -7.372 -0.228
144 H ASP 20 H ASP 20 -6.017 -6.899 0.487
145 HA ASP 20 HA ASP 20 -5.894 -7.756 3.276
146 1HB ASP 20 1HB ASP 20 -3.981 -7.928 0.938
147 2HB ASP 20 2HB ASP 20 -3.610 -8.670 2.452
148 H CYS 21 H CYS 21 -4.684 -4.955 1.615
149 HA CYS 21 HA CYS 21 -2.444 -4.612 3.513
150 1HB CYS 21 1HB CYS 21 -2.996 -3.329 0.823
151 2HB CYS 21 2HB CYS 21 -1.524 -3.160 1.783
152 HA PRO 22 HA PRO 22 -3.880 -0.868 5.490
153 1HB PRO 22 1HB PRO 22 -1.180 0.281 4.782
154 2HB PRO 22 2HB PRO 22 -2.033 0.302 6.353
155 1HG PRO 22 1HG PRO 22 -0.037 -1.480 5.936
156 2HG PRO 22 2HG PRO 22 -1.550 -2.002 6.742
157 1HD PRO 22 1HD PRO 22 -0.735 -2.382 3.852
158 2HD PRO 22 2HD PRO 22 -1.472 -3.541 4.995
159 H GLY 23 H GLY 23 -4.120 1.461 5.245
160 1HA GLY 23 1HA GLY 23 -4.532 3.472 4.107
161 2HA GLY 23 2HA GLY 23 -5.794 2.394 3.541
162 H ALA 24 H ALA 24 -2.500 3.514 2.703
163 HA ALA 24 HA ALA 24 -3.355 3.908 -0.123
164 1HB ALA 24 1HB ALA 24 -2.433 5.803 1.213
165 2HB ALA 24 2HB ALA 24 -1.500 5.444 -0.253
166 3HB ALA 24 3HB ALA 24 -0.886 4.918 1.321
167 H CYS 25 H CYS 25 -2.029 1.341 1.420
168 HA CYS 25 HA CYS 25 0.101 0.690 -0.489
169 1HB CYS 25 1HB CYS 25 -1.408 -1.105 1.418
170 2HB CYS 25 2HB CYS 25 0.062 -1.499 0.537
171 H ILE 26 H ILE 26 -0.077 -1.238 -1.736
172 HA ILE 26 HA ILE 26 -2.705 -2.276 -2.642
173 HB ILE 26 HB ILE 26 -1.718 -2.452 -4.960
174 1HG1 ILE 26 1HG1 ILE 26 0.276 -0.337 -4.083
175 2HG1 ILE 26 2HG1 ILE 26 0.691 -2.041 -4.158
176 1HG2 ILE 26 1HG2 ILE 26 -3.418 -0.768 -4.354
177 2HG2 ILE 26 2HG2 ILE 26 -2.140 0.389 -3.941
178 3HG2 ILE 26 3HG2 ILE 26 -2.336 -0.172 -5.616
179 1HD1 ILE 26 1HD1 ILE 26 -0.290 -0.443 -6.544
180 2HD1 ILE 26 2HD1 ILE 26 1.397 -0.793 -6.159
181 3HD1 ILE 26 3HD1 ILE 26 0.305 -2.143 -6.529
182 H CYS 27 H CYS 27 -2.356 -4.422 -3.718
183 HA CYS 27 HA CYS 27 -0.170 -5.947 -2.397
184 1HB CYS 27 1HB CYS 27 -2.512 -6.772 -2.426
185 2HB CYS 27 2HB CYS 27 -2.391 -6.999 -4.179
186 H ARG 28 H ARG 28 1.679 -5.636 -3.362
187 HA ARG 28 HA ARG 28 2.072 -4.684 -6.063
188 1HB ARG 28 1HB ARG 28 4.008 -5.822 -3.988
189 2HB ARG 28 2HB ARG 28 4.518 -4.987 -5.442
190 1HG ARG 28 1HG ARG 28 2.824 -3.709 -3.245
191 2HG ARG 28 2HG ARG 28 4.580 -3.634 -3.312
192 1HD ARG 28 1HD ARG 28 2.743 -2.598 -5.496
193 2HD ARG 28 2HD ARG 28 3.421 -1.602 -4.207
194 HE ARG 28 HE ARG 28 5.710 -2.363 -5.085
195 1HH1 ARG 28 1HH1 ARG 28 6.997 -1.973 -6.811
196 2HH1 ARG 28 2HH1 ARG 28 6.290 -1.634 -8.364
197 1HH2 ARG 28 1HH2 ARG 28 3.042 -1.891 -7.319
198 2HH2 ARG 28 2HH2 ARG 28 4.127 -1.597 -8.651
199 H GLY 29 H GLY 29 3.817 -5.814 -7.384
200 1HA GLY 29 1HA GLY 29 4.103 -7.413 -9.067
201 2HA GLY 29 2HA GLY 29 2.576 -8.134 -8.565
202 H ASN 30 H ASN 30 5.027 -7.861 -6.177
203 HA ASN 30 HA ASN 30 6.090 -10.600 -6.480
204 1HB ASN 30 1HB ASN 30 7.547 -10.078 -4.699
205 2HB ASN 30 2HB ASN 30 7.485 -8.642 -5.716
206 2HD2 ASN 30 2HD2 ASN 30 8.376 -8.668 -2.980
207 1HD2 ASN 30 1HD2 ASN 30 7.213 -7.696 -2.085
208 H GLY 31 H GLY 31 3.208 -9.415 -5.150
209 1HA GLY 31 1HA GLY 31 2.709 -11.950 -3.716
210 2HA GLY 31 2HA GLY 31 1.535 -10.709 -4.134
211 H TYR 32 H TYR 32 3.474 -8.656 -2.816
212 HA TYR 32 HA TYR 32 2.499 -9.035 -0.011
213 1HB TYR 32 1HB TYR 32 5.221 -8.185 -0.985
214 2HB TYR 32 2HB TYR 32 4.672 -7.845 0.639
215 HD1 TYR 32 HD1 TYR 32 4.985 -9.384 2.360
216 HD2 TYR 32 HD2 TYR 32 5.435 -10.670 -1.722
217 HE1 TYR 32 HE1 TYR 32 5.988 -11.531 3.150
218 HE2 TYR 32 HE2 TYR 32 6.380 -12.832 -0.944
219 HH TYR 32 HH TYR 32 7.009 -14.093 0.861
220 H CYS 33 H CYS 33 2.324 -7.048 1.209
221 HA CYS 33 HA CYS 33 1.051 -4.959 -0.290
222 1HB CYS 33 1HB CYS 33 1.915 -5.146 2.616
223 2HB CYS 33 2HB CYS 33 0.884 -3.873 1.962
224 H GLY 34 H GLY 34 1.715 -2.947 -0.919
225 1HA GLY 34 1HA GLY 34 4.345 -2.155 -1.385
226 2HA GLY 34 2HA GLY 34 3.979 -1.556 0.242
No H/Q in entry = 226
Start of MODEL 20
1 H SER 1 H SER 1 4.652 0.515 -1.130
2 HA SER 1 HA SER 1 2.452 2.213 -1.456
3 1HB SER 1 1HB SER 1 5.230 2.485 -2.665
4 2HB SER 1 2HB SER 1 4.062 3.804 -2.443
5 HG SER 1 HG SER 1 5.708 3.519 -0.745
6 H GLY 2 H GLY 2 1.321 3.066 -3.118
7 1HA GLY 2 1HA GLY 2 -0.027 2.188 -4.987
8 2HA GLY 2 2HA GLY 2 1.453 1.699 -5.791
9 H SER 3 H SER 3 2.790 4.264 -5.062
10 HA SER 3 HA SER 3 3.140 6.399 -5.736
11 1HB SER 3 1HB SER 3 2.106 5.291 -8.361
12 2HB SER 3 2HB SER 3 3.026 6.793 -8.166
13 HG SER 3 HG SER 3 4.766 5.573 -7.342
14 H ASP 4 H ASP 4 0.288 6.233 -7.890
15 HA ASP 4 HA ASP 4 -0.809 8.701 -6.827
16 1HB ASP 4 1HB ASP 4 -2.647 8.332 -8.334
17 2HB ASP 4 2HB ASP 4 -1.123 8.052 -9.161
18 H GLY 5 H GLY 5 -1.108 5.375 -5.881
19 1HA GLY 5 1HA GLY 5 -2.311 4.346 -4.165
20 2HA GLY 5 2HA GLY 5 -3.457 5.686 -4.158
21 H GLY 6 H GLY 6 -0.245 6.788 -3.877
22 1HA GLY 6 1HA GLY 6 -0.525 7.345 -0.965
23 2HA GLY 6 2HA GLY 6 0.403 8.276 -2.137
24 H VAL 7 H VAL 7 1.887 8.061 -0.265
25 HA VAL 7 HA VAL 7 3.888 5.911 -0.569
26 HB VAL 7 HB VAL 7 3.763 8.212 1.437
27 1HG1 VAL 7 1HG1 VAL 7 6.024 6.278 0.720
28 2HG1 VAL 7 2HG1 VAL 7 6.180 7.705 1.766
29 3HG1 VAL 7 3HG1 VAL 7 5.170 6.354 2.277
30 1HG2 VAL 7 1HG2 VAL 7 5.360 7.894 -1.144
31 2HG2 VAL 7 2HG2 VAL 7 4.032 9.044 -0.870
32 3HG2 VAL 7 3HG2 VAL 7 5.541 9.214 0.031
33 H CYS 8 H CYS 8 3.445 3.976 0.304
34 HA CYS 8 HA CYS 8 1.838 3.784 2.779
35 1HB CYS 8 1HB CYS 8 1.468 2.234 0.817
36 2HB CYS 8 2HB CYS 8 3.061 1.553 1.157
37 HA PRO 9 HA PRO 9 5.798 3.298 5.077
38 1HB PRO 9 1HB PRO 9 4.704 2.724 7.541
39 2HB PRO 9 2HB PRO 9 4.899 4.374 6.881
40 1HG PRO 9 1HG PRO 9 2.419 2.642 6.858
41 2HG PRO 9 2HG PRO 9 2.559 4.379 7.273
42 1HD PRO 9 1HD PRO 9 1.729 3.529 4.828
43 2HD PRO 9 2HD PRO 9 2.741 4.997 4.981
44 H LYS 10 H LYS 10 6.493 1.545 4.032
45 HA LYS 10 HA LYS 10 5.274 -0.821 3.433
46 1HB LYS 10 1HB LYS 10 8.259 -0.331 3.789
47 2HB LYS 10 2HB LYS 10 7.555 -1.690 2.907
48 1HG LYS 10 1HG LYS 10 6.504 -0.138 1.292
49 2HG LYS 10 2HG LYS 10 7.176 1.250 2.173
50 1HD LYS 10 1HD LYS 10 9.475 0.395 1.761
51 2HD LYS 10 2HD LYS 10 8.795 -0.934 0.797
52 1HE LYS 10 1HE LYS 10 7.794 0.687 -0.769
53 2HE LYS 10 2HE LYS 10 8.355 2.035 0.230
54 1HZ LYS 10 1HZ LYS 10 10.147 0.102 -1.151
55 2HZ LYS 10 2HZ LYS 10 9.860 1.636 -1.638
56 3HZ LYS 10 3HZ LYS 10 10.643 1.361 -0.237
57 H ILE 11 H ILE 11 5.179 -2.802 4.046
58 HA ILE 11 HA ILE 11 6.374 -3.856 6.548
59 HB ILE 11 HB ILE 11 4.194 -4.892 7.186
60 1HG1 ILE 11 1HG1 ILE 11 2.947 -2.960 5.168
61 2HG1 ILE 11 2HG1 ILE 11 3.015 -4.715 5.009
62 1HG2 ILE 11 1HG2 ILE 11 5.129 -2.825 8.255
63 2HG2 ILE 11 2HG2 ILE 11 4.077 -1.855 7.204
64 3HG2 ILE 11 3HG2 ILE 11 3.378 -2.975 8.388
65 1HD1 ILE 11 1HD1 ILE 11 1.664 -4.875 7.163
66 2HD1 ILE 11 2HD1 ILE 11 1.437 -3.116 7.054
67 3HD1 ILE 11 3HD1 ILE 11 0.824 -4.167 5.767
68 H LEU 12 H LEU 12 6.363 -6.180 6.671
69 HA LEU 12 HA LEU 12 6.670 -7.492 4.038
70 1HB LEU 12 1HB LEU 12 7.252 -8.499 6.846
71 2HB LEU 12 2HB LEU 12 7.663 -9.329 5.344
72 HG LEU 12 HG LEU 12 8.800 -6.635 6.214
73 1HD1 LEU 12 1HD1 LEU 12 9.592 -8.530 7.578
74 2HD1 LEU 12 2HD1 LEU 12 10.063 -9.405 6.103
75 3HD1 LEU 12 3HD1 LEU 12 10.882 -7.889 6.547
76 1HD2 LEU 12 1HD2 LEU 12 9.472 -8.419 3.828
77 2HD2 LEU 12 2HD2 LEU 12 8.764 -6.786 3.762
78 3HD2 LEU 12 3HD2 LEU 12 10.413 -7.005 4.351
79 H LYS 13 H LYS 13 3.961 -6.833 5.097
80 HA LYS 13 HA LYS 13 2.572 -9.323 5.667
81 1HB LYS 13 1HB LYS 13 1.804 -7.022 6.314
82 2HB LYS 13 2HB LYS 13 1.406 -6.708 4.615
83 1HG LYS 13 1HG LYS 13 -0.160 -8.671 4.673
84 2HG LYS 13 2HG LYS 13 0.284 -8.942 6.369
85 1HD LYS 13 1HD LYS 13 -0.550 -6.570 6.847
86 2HD LYS 13 2HD LYS 13 -1.186 -6.551 5.184
87 1HE LYS 13 1HE LYS 13 -2.444 -8.679 5.732
88 2HE LYS 13 2HE LYS 13 -1.879 -8.533 7.406
89 1HZ LYS 13 1HZ LYS 13 -3.037 -6.341 7.467
90 2HZ LYS 13 2HZ LYS 13 -3.614 -6.623 5.946
91 3HZ LYS 13 3HZ LYS 13 -4.073 -7.576 7.191
92 H LYS 14 H LYS 14 2.545 -10.927 4.234
93 HA LYS 14 HA LYS 14 2.560 -10.713 1.346
94 1HB LYS 14 1HB LYS 14 1.672 -12.949 3.227
95 2HB LYS 14 2HB LYS 14 1.714 -13.083 1.463
96 1HG LYS 14 1HG LYS 14 4.132 -12.697 1.439
97 2HG LYS 14 2HG LYS 14 4.142 -12.513 3.210
98 1HD LYS 14 1HD LYS 14 3.343 -14.842 3.471
99 2HD LYS 14 2HD LYS 14 3.225 -15.010 1.717
100 1HE LYS 14 1HE LYS 14 5.228 -16.113 2.420
101 2HE LYS 14 2HE LYS 14 5.678 -14.668 1.509
102 1HZ LYS 14 1HZ LYS 14 5.653 -14.845 4.481
103 2HZ LYS 14 2HZ LYS 14 6.991 -14.941 3.548
104 3HZ LYS 14 3HZ LYS 14 6.151 -13.553 3.598
105 H CYS 15 H CYS 15 0.882 -10.793 -0.025
106 HA CYS 15 HA CYS 15 -1.947 -10.786 1.011
107 1HB CYS 15 1HB CYS 15 -2.479 -8.751 -0.227
108 2HB CYS 15 2HB CYS 15 -1.202 -8.475 0.925
109 H ARG 16 H ARG 16 -3.580 -10.845 -0.538
110 HA ARG 16 HA ARG 16 -3.075 -12.392 -3.076
111 1HB ARG 16 1HB ARG 16 -5.480 -12.390 -1.213
112 2HB ARG 16 2HB ARG 16 -5.250 -13.453 -2.587
113 1HG ARG 16 1HG ARG 16 -3.731 -14.828 -1.498
114 2HG ARG 16 2HG ARG 16 -3.178 -13.592 -0.375
115 1HD ARG 16 1HD ARG 16 -5.913 -14.897 -0.262
116 2HD ARG 16 2HD ARG 16 -4.508 -15.326 0.730
117 HE ARG 16 HE ARG 16 -5.185 -12.478 0.921
118 1HH1 ARG 16 1HH1 ARG 16 -6.206 -11.631 2.641
119 2HH1 ARG 16 2HH1 ARG 16 -6.678 -12.664 3.975
120 1HH2 ARG 16 1HH2 ARG 16 -5.872 -15.595 2.378
121 2HH2 ARG 16 2HH2 ARG 16 -6.549 -14.856 3.807
122 H ARG 17 H ARG 17 -4.480 -9.598 -1.704
123 HA ARG 17 HA ARG 17 -5.651 -8.533 -4.190
124 1HB ARG 17 1HB ARG 17 -7.881 -8.183 -3.181
125 2HB ARG 17 2HB ARG 17 -7.508 -9.907 -3.263
126 1HG ARG 17 1HG ARG 17 -6.851 -9.864 -0.849
127 2HG ARG 17 2HG ARG 17 -7.247 -8.148 -0.781
128 1HD ARG 17 1HD ARG 17 -9.090 -9.243 0.161
129 2HD ARG 17 2HD ARG 17 -9.608 -8.740 -1.449
130 HE ARG 17 HE ARG 17 -9.795 -10.967 -2.080
131 1HH1 ARG 17 1HH1 ARG 17 -10.032 -13.130 -1.696
132 2HH1 ARG 17 2HH1 ARG 17 -9.332 -13.855 -0.276
133 1HH2 ARG 17 1HH2 ARG 17 -7.930 -10.958 0.938
134 2HH2 ARG 17 2HH2 ARG 17 -8.273 -12.646 1.199
135 H ASP 18 H ASP 18 -6.358 -6.220 -3.824
136 HA ASP 18 HA ASP 18 -4.372 -4.821 -2.235
137 1HB ASP 18 1HB ASP 18 -6.893 -3.673 -3.480
138 2HB ASP 18 2HB ASP 18 -5.458 -2.782 -2.939
139 H SER 19 H SER 19 -7.607 -5.917 -1.527
140 HA SER 19 HA SER 19 -8.155 -4.180 0.725
141 1HB SER 19 1HB SER 19 -9.322 -6.931 0.207
142 2HB SER 19 2HB SER 19 -10.028 -5.626 1.166
143 HG SER 19 HG SER 19 -10.207 -4.397 -0.776
144 H ASP 20 H ASP 20 -6.059 -6.844 0.406
145 HA ASP 20 HA ASP 20 -6.024 -7.763 3.207
146 1HB ASP 20 1HB ASP 20 -4.181 -8.078 0.826
147 2HB ASP 20 2HB ASP 20 -3.726 -8.701 2.370
148 H CYS 21 H CYS 21 -4.777 -4.999 1.530
149 HA CYS 21 HA CYS 21 -2.504 -4.644 3.394
150 1HB CYS 21 1HB CYS 21 -3.204 -3.398 0.709
151 2HB CYS 21 2HB CYS 21 -1.738 -3.070 1.617
152 HA PRO 22 HA PRO 22 -4.221 -1.029 5.352
153 1HB PRO 22 1HB PRO 22 -2.026 0.539 5.854
154 2HB PRO 22 2HB PRO 22 -2.346 -1.007 6.695
155 1HG PRO 22 1HG PRO 22 -0.577 -0.538 4.282
156 2HG PRO 22 2HG PRO 22 -0.160 -1.402 5.796
157 1HD PRO 22 1HD PRO 22 -0.951 -2.744 3.585
158 2HD PRO 22 2HD PRO 22 -1.504 -3.261 5.202
159 H GLY 23 H GLY 23 -4.421 1.326 5.181
160 1HA GLY 23 1HA GLY 23 -4.787 3.332 4.048
161 2HA GLY 23 2HA GLY 23 -5.784 2.203 3.144
162 H ALA 24 H ALA 24 -2.384 3.316 3.189
163 HA ALA 24 HA ALA 24 -2.604 4.348 0.449
164 1HB ALA 24 1HB ALA 24 -0.303 4.339 2.441
165 2HB ALA 24 2HB ALA 24 -0.347 5.240 0.907
166 3HB ALA 24 3HB ALA 24 -1.489 5.641 2.199
167 H CYS 25 H CYS 25 -1.722 1.290 1.662
168 HA CYS 25 HA CYS 25 0.242 0.655 -0.441
169 1HB CYS 25 1HB CYS 25 -1.047 -0.912 1.793
170 2HB CYS 25 2HB CYS 25 -0.252 -1.734 0.471
171 H ILE 26 H ILE 26 -0.043 -1.087 -1.794
172 HA ILE 26 HA ILE 26 -2.735 -2.050 -2.640
173 HB ILE 26 HB ILE 26 -1.782 -2.186 -4.972
174 1HG1 ILE 26 1HG1 ILE 26 0.192 -0.018 -4.242
175 2HG1 ILE 26 2HG1 ILE 26 0.654 -1.687 -4.024
176 1HG2 ILE 26 1HG2 ILE 26 -3.433 -0.469 -4.336
177 2HG2 ILE 26 2HG2 ILE 26 -2.125 0.638 -3.874
178 3HG2 ILE 26 3HG2 ILE 26 -2.316 0.137 -5.566
179 1HD1 ILE 26 1HD1 ILE 26 -0.290 -0.527 -6.670
180 2HD1 ILE 26 2HD1 ILE 26 1.393 -0.841 -6.205
181 3HD1 ILE 26 3HD1 ILE 26 0.271 -2.205 -6.382
182 H CYS 27 H CYS 27 -2.452 -4.198 -3.771
183 HA CYS 27 HA CYS 27 -0.311 -5.811 -2.464
184 1HB CYS 27 1HB CYS 27 -2.627 -6.537 -2.257
185 2HB CYS 27 2HB CYS 27 -2.763 -6.701 -4.019
186 H ARG 28 H ARG 28 1.523 -5.727 -3.551
187 HA ARG 28 HA ARG 28 1.575 -5.002 -6.394
188 1HB ARG 28 1HB ARG 28 3.919 -5.418 -4.483
189 2HB ARG 28 2HB ARG 28 3.927 -4.581 -6.047
190 1HG ARG 28 1HG ARG 28 1.960 -3.192 -4.891
191 2HG ARG 28 2HG ARG 28 2.762 -3.694 -3.406
192 1HD ARG 28 1HD ARG 28 3.956 -2.104 -5.717
193 2HD ARG 28 2HD ARG 28 3.410 -1.470 -4.160
194 HE ARG 28 HE ARG 28 5.469 -3.522 -3.885
195 1HH1 ARG 28 1HH1 ARG 28 7.545 -2.981 -3.352
196 2HH1 ARG 28 2HH1 ARG 28 8.052 -1.317 -3.407
197 1HH2 ARG 28 1HH2 ARG 28 4.998 -0.074 -4.375
198 2HH2 ARG 28 2HH2 ARG 28 6.668 0.281 -4.005
199 H GLY 29 H GLY 29 3.483 -6.048 -7.634
200 1HA GLY 29 1HA GLY 29 3.835 -7.786 -9.148
201 2HA GLY 29 2HA GLY 29 2.427 -8.596 -8.464
202 H ASN 30 H ASN 30 4.900 -7.834 -6.252
203 HA ASN 30 HA ASN 30 6.330 -10.406 -6.343
204 1HB ASN 30 1HB ASN 30 7.618 -9.557 -4.526
205 2HB ASN 30 2HB ASN 30 7.428 -8.254 -5.696
206 2HD2 ASN 30 2HD2 ASN 30 8.215 -7.764 -3.036
207 1HD2 ASN 30 1HD2 ASN 30 6.889 -6.911 -2.254
208 H GLY 31 H GLY 31 3.297 -9.520 -5.076
209 1HA GLY 31 1HA GLY 31 3.097 -12.032 -3.516
210 2HA GLY 31 2HA GLY 31 1.783 -10.973 -4.007
211 H TYR 32 H TYR 32 3.536 -8.647 -2.808
212 HA TYR 32 HA TYR 32 2.577 -8.950 0.014
213 1HB TYR 32 1HB TYR 32 5.192 -7.856 -1.002
214 2HB TYR 32 2HB TYR 32 4.625 -7.582 0.622
215 HD1 TYR 32 HD1 TYR 32 5.845 -10.216 -1.733
216 HD2 TYR 32 HD2 TYR 32 4.994 -9.132 2.340
217 HE1 TYR 32 HE1 TYR 32 7.186 -12.159 -0.943
218 HE2 TYR 32 HE2 TYR 32 6.423 -11.014 3.147
219 HH TYR 32 HH TYR 32 8.096 -13.222 0.876
220 H CYS 33 H CYS 33 2.286 -6.934 1.129
221 HA CYS 33 HA CYS 33 1.011 -4.860 -0.423
222 1HB CYS 33 1HB CYS 33 1.874 -4.982 2.489
223 2HB CYS 33 2HB CYS 33 0.824 -3.745 1.796
224 H GLY 34 H GLY 34 1.709 -2.791 -0.941
225 1HA GLY 34 1HA GLY 34 4.412 -2.133 -1.390
226 2HA GLY 34 2HA GLY 34 4.006 -1.490 0.207
No H/Q in entry = 226
Start of MODEL 21
1 H SER 1 H SER 1 4.577 0.480 -1.337
2 HA SER 1 HA SER 1 2.078 1.901 -1.193
3 1HB SER 1 1HB SER 1 4.496 2.750 -0.770
4 2HB SER 1 2HB SER 1 4.533 3.051 -2.521
5 HG SER 1 HG SER 1 3.746 4.886 -1.504
6 H GLY 2 H GLY 2 1.186 3.319 -2.885
7 1HA GLY 2 1HA GLY 2 -0.200 1.983 -4.751
8 2HA GLY 2 2HA GLY 2 1.273 2.293 -5.671
9 H SER 3 H SER 3 -1.044 3.159 -6.638
10 HA SER 3 HA SER 3 -0.579 5.888 -7.209
11 1HB SER 3 1HB SER 3 -3.069 4.236 -7.767
12 2HB SER 3 2HB SER 3 -2.556 5.696 -8.631
13 HG SER 3 HG SER 3 -0.696 4.563 -9.334
14 H ASP 4 H ASP 4 -2.115 4.825 -4.434
15 HA ASP 4 HA ASP 4 -4.288 6.675 -4.097
16 1HB ASP 4 1HB ASP 4 -3.896 4.607 -2.756
17 2HB ASP 4 2HB ASP 4 -2.475 5.359 -2.028
18 H GLY 5 H GLY 5 -4.354 8.551 -2.646
19 1HA GLY 5 1HA GLY 5 -3.724 10.726 -2.187
20 2HA GLY 5 2HA GLY 5 -2.302 10.511 -3.200
21 H GLY 6 H GLY 6 -2.658 8.263 -0.555
22 1HA GLY 6 1HA GLY 6 -1.694 8.146 1.554
23 2HA GLY 6 2HA GLY 6 -1.018 9.763 1.375
24 H VAL 7 H VAL 7 0.561 8.093 2.531
25 HA VAL 7 HA VAL 7 2.498 6.892 0.570
26 HB VAL 7 HB VAL 7 3.181 8.329 3.176
27 1HG1 VAL 7 1HG1 VAL 7 4.965 7.026 1.064
28 2HG1 VAL 7 2HG1 VAL 7 5.534 8.006 2.431
29 3HG1 VAL 7 3HG1 VAL 7 4.740 6.462 2.736
30 1HG2 VAL 7 1HG2 VAL 7 3.704 9.118 0.276
31 2HG2 VAL 7 2HG2 VAL 7 2.620 9.950 1.413
32 3HG2 VAL 7 3HG2 VAL 7 4.360 9.943 1.708
33 H CYS 8 H CYS 8 2.496 4.694 0.832
34 HA CYS 8 HA CYS 8 1.633 3.598 3.409
35 1HB CYS 8 1HB CYS 8 1.184 2.459 1.138
36 2HB CYS 8 2HB CYS 8 2.875 1.958 1.213
37 HA PRO 9 HA PRO 9 5.940 3.387 4.944
38 1HB PRO 9 1HB PRO 9 5.461 1.976 7.272
39 2HB PRO 9 2HB PRO 9 5.168 3.724 7.053
40 1HG PRO 9 1HG PRO 9 3.175 1.456 6.793
41 2HG PRO 9 2HG PRO 9 3.000 2.988 7.714
42 1HD PRO 9 1HD PRO 9 1.940 2.715 5.256
43 2HD PRO 9 2HD PRO 9 2.724 4.261 5.701
44 H LYS 10 H LYS 10 4.278 0.971 3.464
45 HA LYS 10 HA LYS 10 4.801 -1.061 2.516
46 1HB LYS 10 1HB LYS 10 7.562 0.174 2.726
47 2HB LYS 10 2HB LYS 10 7.191 -1.256 1.765
48 1HG LYS 10 1HG LYS 10 5.750 -0.081 0.301
49 2HG LYS 10 2HG LYS 10 5.701 1.358 1.311
50 1HD LYS 10 1HD LYS 10 8.229 0.332 -0.044
51 2HD LYS 10 2HD LYS 10 7.138 1.539 -0.747
52 1HE LYS 10 1HE LYS 10 7.472 3.015 1.223
53 2HE LYS 10 2HE LYS 10 8.595 1.837 1.918
54 1HZ LYS 10 1HZ LYS 10 10.035 2.156 -0.023
55 2HZ LYS 10 2HZ LYS 10 9.004 3.251 -0.663
56 3HZ LYS 10 3HZ LYS 10 9.786 3.580 0.729
57 H ILE 11 H ILE 11 4.010 -2.046 4.502
58 HA ILE 11 HA ILE 11 5.921 -3.415 6.243
59 HB ILE 11 HB ILE 11 3.932 -4.479 7.209
60 1HG1 ILE 11 1HG1 ILE 11 2.243 -2.850 5.249
61 2HG1 ILE 11 2HG1 ILE 11 2.504 -4.590 5.147
62 1HG2 ILE 11 1HG2 ILE 11 4.785 -2.250 7.958
63 2HG2 ILE 11 2HG2 ILE 11 3.573 -1.463 6.925
64 3HG2 ILE 11 3HG2 ILE 11 3.070 -2.483 8.286
65 1HD1 ILE 11 1HD1 ILE 11 1.485 -4.833 7.443
66 2HD1 ILE 11 2HD1 ILE 11 1.029 -3.116 7.348
67 3HD1 ILE 11 3HD1 ILE 11 0.386 -4.273 6.172
68 H LEU 12 H LEU 12 6.276 -5.573 6.325
69 HA LEU 12 HA LEU 12 6.260 -7.071 3.788
70 1HB LEU 12 1HB LEU 12 7.327 -7.873 6.516
71 2HB LEU 12 2HB LEU 12 7.583 -8.748 5.004
72 HG LEU 12 HG LEU 12 8.603 -5.930 5.595
73 1HD1 LEU 12 1HD1 LEU 12 9.744 -7.687 6.895
74 2HD1 LEU 12 2HD1 LEU 12 10.069 -8.592 5.399
75 3HD1 LEU 12 3HD1 LEU 12 10.810 -6.996 5.662
76 1HD2 LEU 12 1HD2 LEU 12 9.070 -7.766 3.202
77 2HD2 LEU 12 2HD2 LEU 12 8.226 -6.199 3.185
78 3HD2 LEU 12 3HD2 LEU 12 9.955 -6.257 3.528
79 H LYS 13 H LYS 13 3.685 -6.626 4.641
80 HA LYS 13 HA LYS 13 2.538 -9.173 5.648
81 1HB LYS 13 1HB LYS 13 1.586 -6.939 6.241
82 2HB LYS 13 2HB LYS 13 1.134 -6.699 4.546
83 1HG LYS 13 1HG LYS 13 -0.301 -8.740 4.668
84 2HG LYS 13 2HG LYS 13 0.215 -8.987 6.348
85 1HD LYS 13 1HD LYS 13 -0.751 -6.704 6.895
86 2HD LYS 13 2HD LYS 13 -1.396 -6.649 5.237
87 1HE LYS 13 1HE LYS 13 -2.584 -8.823 5.700
88 2HE LYS 13 2HE LYS 13 -1.999 -8.753 7.370
89 1HZ LYS 13 1HZ LYS 13 -3.219 -6.626 7.598
90 2HZ LYS 13 2HZ LYS 13 -3.777 -6.778 6.056
91 3HZ LYS 13 3HZ LYS 13 -4.235 -7.848 7.206
92 H LYS 14 H LYS 14 2.523 -10.855 4.266
93 HA LYS 14 HA LYS 14 2.517 -10.621 1.379
94 1HB LYS 14 1HB LYS 14 2.119 -13.055 1.375
95 2HB LYS 14 2HB LYS 14 3.538 -12.542 2.276
96 1HG LYS 14 1HG LYS 14 2.354 -12.886 4.419
97 2HG LYS 14 2HG LYS 14 0.875 -13.299 3.550
98 1HD LYS 14 1HD LYS 14 2.017 -15.318 4.351
99 2HD LYS 14 2HD LYS 14 1.901 -15.283 2.597
100 1HE LYS 14 1HE LYS 14 4.071 -16.131 3.226
101 2HE LYS 14 2HE LYS 14 4.269 -14.574 2.426
102 1HZ LYS 14 1HZ LYS 14 4.545 -13.559 4.638
103 2HZ LYS 14 2HZ LYS 14 4.366 -15.017 5.366
104 3HZ LYS 14 3HZ LYS 14 5.651 -14.725 4.399
105 H CYS 15 H CYS 15 0.884 -10.922 -0.006
106 HA CYS 15 HA CYS 15 -1.963 -10.993 0.926
107 1HB CYS 15 1HB CYS 15 -2.453 -8.857 -0.167
108 2HB CYS 15 2HB CYS 15 -1.234 -8.662 1.065
109 H ARG 16 H ARG 16 -3.512 -10.870 -0.815
110 HA ARG 16 HA ARG 16 -2.641 -11.558 -3.591
111 1HB ARG 16 1HB ARG 16 -4.791 -13.054 -2.026
112 2HB ARG 16 2HB ARG 16 -4.507 -13.234 -3.753
113 1HG ARG 16 1HG ARG 16 -2.502 -13.959 -1.572
114 2HG ARG 16 2HG ARG 16 -3.544 -15.079 -2.441
115 1HD ARG 16 1HD ARG 16 -2.473 -14.477 -4.578
116 2HD ARG 16 2HD ARG 16 -1.403 -13.346 -3.759
117 HE ARG 16 HE ARG 16 -1.268 -16.295 -3.723
118 1HH1 ARG 16 1HH1 ARG 16 0.559 -17.278 -3.030
119 2HH1 ARG 16 2HH1 ARG 16 1.770 -16.369 -2.170
120 1HH2 ARG 16 1HH2 ARG 16 0.075 -13.387 -2.250
121 2HH2 ARG 16 2HH2 ARG 16 1.519 -14.234 -1.759
122 H ARG 17 H ARG 17 -4.539 -9.692 -1.540
123 HA ARG 17 HA ARG 17 -6.134 -8.507 -3.798
124 1HB ARG 17 1HB ARG 17 -6.988 -8.693 -0.880
125 2HB ARG 17 2HB ARG 17 -7.962 -8.166 -2.250
126 1HG ARG 17 1HG ARG 17 -8.023 -10.459 -3.127
127 2HG ARG 17 2HG ARG 17 -6.975 -11.021 -1.809
128 1HD ARG 17 1HD ARG 17 -9.706 -9.766 -1.382
129 2HD ARG 17 2HD ARG 17 -9.388 -11.508 -1.442
130 HE ARG 17 HE ARG 17 -7.623 -10.338 0.494
131 1HH1 ARG 17 1HH1 ARG 17 -7.851 -10.443 2.512
132 2HH1 ARG 17 2HH1 ARG 17 -9.390 -10.814 3.306
133 1HH2 ARG 17 1HH2 ARG 17 -11.047 -11.055 0.262
134 2HH2 ARG 17 2HH2 ARG 17 -11.198 -11.153 2.000
135 H ASP 18 H ASP 18 -6.404 -6.209 -3.653
136 HA ASP 18 HA ASP 18 -4.360 -4.743 -2.177
137 1HB ASP 18 1HB ASP 18 -6.894 -3.659 -3.457
138 2HB ASP 18 2HB ASP 18 -5.477 -2.728 -2.942
139 H SER 19 H SER 19 -7.573 -5.834 -1.357
140 HA SER 19 HA SER 19 -8.030 -4.106 0.926
141 1HB SER 19 1HB SER 19 -9.851 -5.720 1.418
142 2HB SER 19 2HB SER 19 -9.905 -5.070 -0.229
143 HG SER 19 HG SER 19 -10.230 -7.344 -0.172
144 H ASP 20 H ASP 20 -6.059 -6.961 0.468
145 HA ASP 20 HA ASP 20 -5.900 -7.797 3.248
146 1HB ASP 20 1HB ASP 20 -3.919 -7.901 0.962
147 2HB ASP 20 2HB ASP 20 -3.637 -8.713 2.464
148 H CYS 21 H CYS 21 -4.535 -5.105 1.467
149 HA CYS 21 HA CYS 21 -2.384 -4.628 3.420
150 1HB CYS 21 1HB CYS 21 -3.091 -3.348 0.750
151 2HB CYS 21 2HB CYS 21 -1.627 -3.030 1.667
152 HA PRO 22 HA PRO 22 -4.250 -1.019 5.319
153 1HB PRO 22 1HB PRO 22 -2.117 0.662 5.738
154 2HB PRO 22 2HB PRO 22 -2.384 -0.847 6.664
155 1HG PRO 22 1HG PRO 22 -0.621 -0.444 4.233
156 2HG PRO 22 2HG PRO 22 -0.183 -1.216 5.791
157 1HD PRO 22 1HD PRO 22 -0.909 -2.695 3.650
158 2HD PRO 22 2HD PRO 22 -1.469 -3.146 5.285
159 H GLY 23 H GLY 23 -4.669 1.254 4.999
160 1HA GLY 23 1HA GLY 23 -5.173 3.160 3.768
161 2HA GLY 23 2HA GLY 23 -5.969 1.908 2.820
162 H ALA 24 H ALA 24 -2.686 3.255 3.126
163 HA ALA 24 HA ALA 24 -2.737 4.358 0.419
164 1HB ALA 24 1HB ALA 24 -0.543 4.271 2.526
165 2HB ALA 24 2HB ALA 24 -0.524 5.245 1.037
166 3HB ALA 24 3HB ALA 24 -1.731 5.574 2.294
167 H CYS 25 H CYS 25 -1.751 1.302 1.643
168 HA CYS 25 HA CYS 25 0.190 0.747 -0.506
169 1HB CYS 25 1HB CYS 25 -0.919 -0.868 1.784
170 2HB CYS 25 2HB CYS 25 -0.172 -1.657 0.419
171 H ILE 26 H ILE 26 -0.064 -1.171 -1.733
172 HA ILE 26 HA ILE 26 -2.734 -2.120 -2.611
173 HB ILE 26 HB ILE 26 -1.806 -2.284 -4.933
174 1HG1 ILE 26 1HG1 ILE 26 0.293 -0.234 -4.180
175 2HG1 ILE 26 2HG1 ILE 26 0.660 -1.950 -4.125
176 1HG2 ILE 26 1HG2 ILE 26 -3.386 -0.497 -4.279
177 2HG2 ILE 26 2HG2 ILE 26 -2.025 0.573 -3.893
178 3HG2 ILE 26 3HG2 ILE 26 -2.294 0.031 -5.563
179 1HD1 ILE 26 1HD1 ILE 26 -0.330 -0.551 -6.631
180 2HD1 ILE 26 2HD1 ILE 26 1.358 -0.913 -6.249
181 3HD1 ILE 26 3HD1 ILE 26 0.213 -2.246 -6.471
182 H CYS 27 H CYS 27 -2.394 -4.286 -3.740
183 HA CYS 27 HA CYS 27 -0.221 -5.834 -2.411
184 1HB CYS 27 1HB CYS 27 -2.548 -6.653 -2.370
185 2HB CYS 27 2HB CYS 27 -2.495 -6.866 -4.128
186 H ARG 28 H ARG 28 1.641 -5.653 -3.395
187 HA ARG 28 HA ARG 28 2.022 -4.749 -6.125
188 1HB ARG 28 1HB ARG 28 3.991 -5.885 -4.091
189 2HB ARG 28 2HB ARG 28 4.444 -5.007 -5.537
190 1HG ARG 28 1HG ARG 28 2.784 -3.781 -3.281
191 2HG ARG 28 2HG ARG 28 4.538 -3.757 -3.313
192 1HD ARG 28 1HD ARG 28 2.829 -2.577 -5.531
193 2HD ARG 28 2HD ARG 28 3.391 -1.663 -4.124
194 HE ARG 28 HE ARG 28 5.569 -3.021 -5.488
195 1HH1 ARG 28 1HH1 ARG 28 7.024 -1.972 -6.742
196 2HH1 ARG 28 2HH1 ARG 28 6.775 -0.297 -7.141
197 1HH2 ARG 28 1HH2 ARG 28 3.828 0.039 -5.431
198 2HH2 ARG 28 2HH2 ARG 28 5.000 0.779 -6.487
199 H GLY 29 H GLY 29 3.710 -5.959 -7.440
200 1HA GLY 29 1HA GLY 29 3.896 -7.608 -9.088
201 2HA GLY 29 2HA GLY 29 2.394 -8.306 -8.489
202 H ASN 30 H ASN 30 4.886 -7.992 -6.180
203 HA ASN 30 HA ASN 30 5.986 -10.720 -6.485
204 1HB ASN 30 1HB ASN 30 7.509 -10.135 -4.767
205 2HB ASN 30 2HB ASN 30 7.400 -8.744 -5.844
206 2HD2 ASN 30 2HD2 ASN 30 8.419 -8.582 -3.186
207 1HD2 ASN 30 1HD2 ASN 30 7.275 -7.596 -2.278
208 H GLY 31 H GLY 31 3.123 -9.607 -5.141
209 1HA GLY 31 1HA GLY 31 2.725 -12.094 -3.609
210 2HA GLY 31 2HA GLY 31 1.520 -10.866 -3.979
211 H TYR 32 H TYR 32 3.465 -8.762 -2.832
212 HA TYR 32 HA TYR 32 2.604 -9.039 0.010
213 1HB TYR 32 1HB TYR 32 5.329 -8.342 -1.085
214 2HB TYR 32 2HB TYR 32 4.815 -7.722 0.463
215 HD1 TYR 32 HD1 TYR 32 5.465 -10.928 -1.386
216 HD2 TYR 32 HD2 TYR 32 4.988 -8.974 2.413
217 HE1 TYR 32 HE1 TYR 32 6.380 -12.939 -0.240
218 HE2 TYR 32 HE2 TYR 32 6.013 -10.938 3.565
219 HH TYR 32 HH TYR 32 7.079 -13.839 1.752
220 H CYS 33 H CYS 33 2.375 -7.028 1.138
221 HA CYS 33 HA CYS 33 1.145 -4.967 -0.432
222 1HB CYS 33 1HB CYS 33 2.023 -5.045 2.473
223 2HB CYS 33 2HB CYS 33 1.020 -3.777 1.763
224 H GLY 34 H GLY 34 1.770 -2.876 -0.919
225 1HA GLY 34 1HA GLY 34 4.408 -2.178 -1.583
226 2HA GLY 34 2HA GLY 34 4.141 -1.605 0.072
No H/Q in entry = 226
Start of MODEL 22
1 H SER 1 H SER 1 4.371 0.608 -1.490
2 HA SER 1 HA SER 1 1.918 2.019 -1.481
3 1HB SER 1 1HB SER 1 4.513 2.792 -2.869
4 2HB SER 1 2HB SER 1 3.149 3.875 -2.537
5 HG SER 1 HG SER 1 4.983 2.720 -0.748
6 H GLY 2 H GLY 2 0.678 3.042 -3.124
7 1HA GLY 2 1HA GLY 2 -0.689 1.890 -4.938
8 2HA GLY 2 2HA GLY 2 0.801 1.817 -5.866
9 H SER 3 H SER 3 -0.931 2.824 -7.276
10 HA SER 3 HA SER 3 -0.087 5.401 -7.990
11 1HB SER 3 1HB SER 3 -2.566 3.912 -8.924
12 2HB SER 3 2HB SER 3 -1.725 5.215 -9.785
13 HG SER 3 HG SER 3 -1.100 3.145 -10.549
14 H ASP 4 H ASP 4 -2.322 4.830 -5.556
15 HA ASP 4 HA ASP 4 -4.274 6.893 -5.893
16 1HB ASP 4 1HB ASP 4 -4.392 4.994 -4.295
17 2HB ASP 4 2HB ASP 4 -3.079 5.707 -3.358
18 H GLY 5 H GLY 5 -0.914 7.122 -5.072
19 1HA GLY 5 1HA GLY 5 -1.087 10.090 -4.926
20 2HA GLY 5 2HA GLY 5 0.331 9.125 -5.309
21 H GLY 6 H GLY 6 -1.127 7.819 -2.588
22 1HA GLY 6 1HA GLY 6 -0.638 7.879 -0.295
23 2HA GLY 6 2HA GLY 6 0.221 9.409 -0.506
24 H VAL 7 H VAL 7 1.465 7.950 1.127
25 HA VAL 7 HA VAL 7 3.370 6.071 -0.194
26 HB VAL 7 HB VAL 7 4.585 8.107 0.165
27 1HG1 VAL 7 1HG1 VAL 7 3.346 9.108 2.070
28 2HG1 VAL 7 2HG1 VAL 7 4.052 7.888 3.154
29 3HG1 VAL 7 3HG1 VAL 7 5.093 9.058 2.327
30 1HG2 VAL 7 1HG2 VAL 7 5.718 5.923 0.432
31 2HG2 VAL 7 2HG2 VAL 7 6.469 7.209 1.392
32 3HG2 VAL 7 3HG2 VAL 7 5.441 6.000 2.187
33 H CYS 8 H CYS 8 3.297 4.118 0.605
34 HA CYS 8 HA CYS 8 1.800 3.621 3.097
35 1HB CYS 8 1HB CYS 8 1.323 2.320 0.988
36 2HB CYS 8 2HB CYS 8 2.932 1.627 1.124
37 HA PRO 9 HA PRO 9 5.849 2.829 5.158
38 1HB PRO 9 1HB PRO 9 4.901 2.513 7.703
39 2HB PRO 9 2HB PRO 9 5.153 4.109 6.935
40 1HG PRO 9 1HG PRO 9 2.563 2.557 7.183
41 2HG PRO 9 2HG PRO 9 2.856 4.291 7.520
42 1HD PRO 9 1HD PRO 9 1.802 3.397 5.165
43 2HD PRO 9 2HD PRO 9 2.881 4.826 5.220
44 H LYS 10 H LYS 10 6.171 0.931 4.064
45 HA LYS 10 HA LYS 10 4.588 -1.343 3.949
46 1HB LYS 10 1HB LYS 10 7.554 -0.868 3.499
47 2HB LYS 10 2HB LYS 10 6.868 -2.486 3.323
48 1HG LYS 10 1HG LYS 10 5.310 -1.749 1.630
49 2HG LYS 10 2HG LYS 10 5.794 -0.063 1.834
50 1HD LYS 10 1HD LYS 10 6.850 -0.966 -0.170
51 2HD LYS 10 2HD LYS 10 8.057 -0.566 1.043
52 1HE LYS 10 1HE LYS 10 8.745 -2.625 0.099
53 2HE LYS 10 2HE LYS 10 8.138 -3.006 1.704
54 1HZ LYS 10 1HZ LYS 10 6.013 -3.711 0.598
55 2HZ LYS 10 2HZ LYS 10 6.692 -3.413 -0.861
56 3HZ LYS 10 3HZ LYS 10 7.300 -4.583 0.095
57 H ILE 11 H ILE 11 4.689 -3.326 4.617
58 HA ILE 11 HA ILE 11 6.278 -4.255 6.912
59 HB ILE 11 HB ILE 11 4.432 -5.234 8.076
60 1HG1 ILE 11 1HG1 ILE 11 2.811 -5.711 6.377
61 2HG1 ILE 11 2HG1 ILE 11 2.095 -4.825 7.701
62 1HG2 ILE 11 1HG2 ILE 11 5.129 -2.995 8.748
63 2HG2 ILE 11 2HG2 ILE 11 3.876 -2.273 7.722
64 3HG2 ILE 11 3HG2 ILE 11 3.420 -3.294 9.097
65 1HD1 ILE 11 1HD1 ILE 11 2.131 -2.742 6.265
66 2HD1 ILE 11 2HD1 ILE 11 2.685 -3.760 4.910
67 3HD1 ILE 11 3HD1 ILE 11 1.115 -4.059 5.655
68 H LEU 12 H LEU 12 6.192 -6.649 7.098
69 HA LEU 12 HA LEU 12 6.399 -7.893 4.458
70 1HB LEU 12 1HB LEU 12 6.856 -9.021 7.242
71 2HB LEU 12 2HB LEU 12 7.266 -9.833 5.731
72 HG LEU 12 HG LEU 12 8.507 -7.212 6.675
73 1HD1 LEU 12 1HD1 LEU 12 9.163 -9.152 8.049
74 2HD1 LEU 12 2HD1 LEU 12 9.629 -10.042 6.582
75 3HD1 LEU 12 3HD1 LEU 12 10.513 -8.574 7.059
76 1HD2 LEU 12 1HD2 LEU 12 9.161 -9.014 4.297
77 2HD2 LEU 12 2HD2 LEU 12 8.540 -7.348 4.221
78 3HD2 LEU 12 3HD2 LEU 12 10.156 -7.651 4.858
79 H LYS 13 H LYS 13 3.683 -7.184 5.219
80 HA LYS 13 HA LYS 13 2.185 -9.680 5.652
81 1HB LYS 13 1HB LYS 13 1.267 -7.494 6.354
82 2HB LYS 13 2HB LYS 13 1.190 -6.977 4.658
83 1HG LYS 13 1HG LYS 13 -0.315 -8.949 4.189
84 2HG LYS 13 2HG LYS 13 -0.270 -9.361 5.907
85 1HD LYS 13 1HD LYS 13 -1.371 -6.790 4.693
86 2HD LYS 13 2HD LYS 13 -2.318 -8.187 5.217
87 1HE LYS 13 1HE LYS 13 -1.379 -7.854 7.552
88 2HE LYS 13 2HE LYS 13 -0.657 -6.340 6.979
89 1HZ LYS 13 1HZ LYS 13 -2.957 -5.648 6.341
90 2HZ LYS 13 2HZ LYS 13 -3.556 -6.995 7.018
91 3HZ LYS 13 3HZ LYS 13 -2.811 -5.886 7.961
92 H LYS 14 H LYS 14 2.526 -11.201 4.156
93 HA LYS 14 HA LYS 14 2.543 -10.736 1.279
94 1HB LYS 14 1HB LYS 14 2.342 -13.131 1.036
95 2HB LYS 14 2HB LYS 14 3.638 -12.712 2.152
96 1HG LYS 14 1HG LYS 14 2.133 -13.267 4.080
97 2HG LYS 14 2HG LYS 14 0.886 -13.776 2.923
98 1HD LYS 14 1HD LYS 14 2.467 -15.448 1.975
99 2HD LYS 14 2HD LYS 14 3.676 -14.993 3.181
100 1HE LYS 14 1HE LYS 14 0.896 -16.095 3.806
101 2HE LYS 14 2HE LYS 14 2.362 -17.073 3.718
102 1HZ LYS 14 1HZ LYS 14 3.284 -15.753 5.550
103 2HZ LYS 14 2HZ LYS 14 1.906 -14.876 5.665
104 3HZ LYS 14 3HZ LYS 14 1.893 -16.471 6.001
105 H CYS 15 H CYS 15 0.906 -10.921 -0.095
106 HA CYS 15 HA CYS 15 -1.920 -11.104 0.947
107 1HB CYS 15 1HB CYS 15 -2.462 -8.947 -0.096
108 2HB CYS 15 2HB CYS 15 -1.225 -8.800 1.108
109 H ARG 16 H ARG 16 -3.554 -10.893 -0.691
110 HA ARG 16 HA ARG 16 -2.938 -11.930 -3.443
111 1HB ARG 16 1HB ARG 16 -5.141 -12.911 -1.575
112 2HB ARG 16 2HB ARG 16 -4.978 -13.353 -3.277
113 1HG ARG 16 1HG ARG 16 -2.774 -14.392 -2.820
114 2HG ARG 16 2HG ARG 16 -2.944 -14.019 -1.098
115 1HD ARG 16 1HD ARG 16 -4.862 -15.753 -2.705
116 2HD ARG 16 2HD ARG 16 -3.547 -16.364 -1.684
117 HE ARG 16 HE ARG 16 -5.078 -14.690 -0.025
118 1HH1 ARG 16 1HH1 ARG 16 -6.620 -15.388 1.386
119 2HH1 ARG 16 2HH1 ARG 16 -7.394 -16.928 1.135
120 1HH2 ARG 16 1HH2 ARG 16 -5.664 -17.690 -1.724
121 2HH2 ARG 16 2HH2 ARG 16 -6.877 -18.204 -0.577
122 H ARG 17 H ARG 17 -4.621 -9.731 -1.438
123 HA ARG 17 HA ARG 17 -6.200 -8.575 -3.725
124 1HB ARG 17 1HB ARG 17 -7.048 -8.625 -0.805
125 2HB ARG 17 2HB ARG 17 -8.020 -8.135 -2.188
126 1HG ARG 17 1HG ARG 17 -8.163 -10.477 -2.947
127 2HG ARG 17 2HG ARG 17 -7.130 -10.998 -1.600
128 1HD ARG 17 1HD ARG 17 -9.826 -9.634 -1.292
129 2HD ARG 17 2HD ARG 17 -9.532 -11.375 -1.136
130 HE ARG 17 HE ARG 17 -7.735 -10.258 0.673
131 1HH1 ARG 17 1HH1 ARG 17 -7.943 -9.808 2.643
132 2HH1 ARG 17 2HH1 ARG 17 -9.509 -9.557 3.429
133 1HH2 ARG 17 1HH2 ARG 17 -11.231 -10.036 0.450
134 2HH2 ARG 17 2HH2 ARG 17 -11.365 -9.673 2.153
135 H ASP 18 H ASP 18 -6.446 -6.272 -3.623
136 HA ASP 18 HA ASP 18 -4.434 -4.765 -2.138
137 1HB ASP 18 1HB ASP 18 -6.993 -3.741 -3.420
138 2HB ASP 18 2HB ASP 18 -5.595 -2.777 -2.914
139 H SER 19 H SER 19 -7.610 -5.926 -1.367
140 HA SER 19 HA SER 19 -8.282 -4.262 0.876
141 1HB SER 19 1HB SER 19 -9.112 -7.133 0.295
142 2HB SER 19 2HB SER 19 -9.950 -5.980 1.344
143 HG SER 19 HG SER 19 -10.347 -4.686 -0.521
144 H ASP 20 H ASP 20 -6.060 -6.935 0.532
145 HA ASP 20 HA ASP 20 -5.902 -7.738 3.332
146 1HB ASP 20 1HB ASP 20 -3.934 -7.869 1.028
147 2HB ASP 20 2HB ASP 20 -3.641 -8.658 2.540
148 H CYS 21 H CYS 21 -4.559 -5.090 1.473
149 HA CYS 21 HA CYS 21 -2.420 -4.543 3.414
150 1HB CYS 21 1HB CYS 21 -3.110 -3.363 0.697
151 2HB CYS 21 2HB CYS 21 -1.647 -3.025 1.613
152 HA PRO 22 HA PRO 22 -4.298 -0.904 5.207
153 1HB PRO 22 1HB PRO 22 -2.155 0.711 5.761
154 2HB PRO 22 2HB PRO 22 -2.473 -0.824 6.624
155 1HG PRO 22 1HG PRO 22 -0.633 -0.368 4.262
156 2HG PRO 22 2HG PRO 22 -0.244 -1.186 5.810
157 1HD PRO 22 1HD PRO 22 -0.930 -2.590 3.600
158 2HD PRO 22 2HD PRO 22 -1.513 -3.093 5.209
159 H GLY 23 H GLY 23 -4.507 1.450 4.960
160 1HA GLY 23 1HA GLY 23 -4.855 3.413 3.753
161 2HA GLY 23 2HA GLY 23 -5.799 2.246 2.839
162 H ALA 24 H ALA 24 -2.412 3.377 3.000
163 HA ALA 24 HA ALA 24 -2.511 4.419 0.265
164 1HB ALA 24 1HB ALA 24 -0.256 4.277 2.306
165 2HB ALA 24 2HB ALA 24 -0.223 5.201 0.789
166 3HB ALA 24 3HB ALA 24 -1.375 5.635 2.064
167 H CYS 25 H CYS 25 -1.732 1.332 1.497
168 HA CYS 25 HA CYS 25 0.183 0.635 -0.638
169 1HB CYS 25 1HB CYS 25 -1.031 -0.890 1.670
170 2HB CYS 25 2HB CYS 25 -0.268 -1.717 0.338
171 H ILE 26 H ILE 26 -0.159 -1.235 -1.858
172 HA ILE 26 HA ILE 26 -2.845 -2.229 -2.608
173 HB ILE 26 HB ILE 26 -2.000 -2.438 -4.962
174 1HG1 ILE 26 1HG1 ILE 26 0.090 -0.345 -4.319
175 2HG1 ILE 26 2HG1 ILE 26 0.479 -2.057 -4.273
176 1HG2 ILE 26 1HG2 ILE 26 -3.599 -0.683 -4.300
177 2HG2 ILE 26 2HG2 ILE 26 -2.258 0.431 -3.968
178 3HG2 ILE 26 3HG2 ILE 26 -2.558 -0.143 -5.623
179 1HD1 ILE 26 1HD1 ILE 26 -0.613 -0.658 -6.738
180 2HD1 ILE 26 2HD1 ILE 26 1.087 -1.035 -6.426
181 3HD1 ILE 26 3HD1 ILE 26 -0.078 -2.359 -6.602
182 H CYS 27 H CYS 27 -2.492 -4.424 -3.711
183 HA CYS 27 HA CYS 27 -0.264 -5.896 -2.385
184 1HB CYS 27 1HB CYS 27 -2.568 -6.771 -2.320
185 2HB CYS 27 2HB CYS 27 -2.529 -6.995 -4.078
186 H ARG 28 H ARG 28 1.583 -5.638 -3.393
187 HA ARG 28 HA ARG 28 1.897 -4.740 -6.130
188 1HB ARG 28 1HB ARG 28 3.917 -5.819 -4.109
189 2HB ARG 28 2HB ARG 28 4.344 -4.965 -5.579
190 1HG ARG 28 1HG ARG 28 2.688 -3.719 -3.336
191 2HG ARG 28 2HG ARG 28 4.440 -3.643 -3.406
192 1HD ARG 28 1HD ARG 28 2.631 -2.569 -5.600
193 2HD ARG 28 2HD ARG 28 3.246 -1.605 -4.251
194 HE ARG 28 HE ARG 28 5.418 -2.935 -5.595
195 1HH1 ARG 28 1HH1 ARG 28 6.730 -1.973 -7.072
196 2HH1 ARG 28 2HH1 ARG 28 6.349 -0.378 -7.653
197 1HH2 ARG 28 1HH2 ARG 28 3.504 -0.004 -5.792
198 2HH2 ARG 28 2HH2 ARG 28 4.544 0.669 -7.020
199 H GLY 29 H GLY 29 3.483 -5.844 -7.541
200 1HA GLY 29 1HA GLY 29 3.819 -7.533 -9.134
201 2HA GLY 29 2HA GLY 29 2.407 -8.359 -8.475
202 H ASN 30 H ASN 30 4.937 -7.668 -6.283
203 HA ASN 30 HA ASN 30 6.310 -10.270 -6.432
204 1HB ASN 30 1HB ASN 30 7.586 -9.432 -4.501
205 2HB ASN 30 2HB ASN 30 7.583 -8.302 -5.850
206 2HD2 ASN 30 2HD2 ASN 30 7.911 -6.360 -4.722
207 1HD2 ASN 30 1HD2 ASN 30 6.773 -5.805 -3.495
208 H GLY 31 H GLY 31 3.328 -9.356 -5.099
209 1HA GLY 31 1HA GLY 31 3.122 -11.915 -3.631
210 2HA GLY 31 2HA GLY 31 1.816 -10.825 -4.070
211 H TYR 32 H TYR 32 3.704 -8.629 -2.713
212 HA TYR 32 HA TYR 32 2.549 -8.974 0.025
213 1HB TYR 32 1HB TYR 32 5.311 -8.055 -0.777
214 2HB TYR 32 2HB TYR 32 4.642 -7.739 0.803
215 HD1 TYR 32 HD1 TYR 32 5.622 -10.548 -1.503
216 HD2 TYR 32 HD2 TYR 32 4.948 -9.247 2.545
217 HE1 TYR 32 HE1 TYR 32 6.640 -12.654 -0.661
218 HE2 TYR 32 HE2 TYR 32 6.037 -11.327 3.398
219 HH TYR 32 HH TYR 32 7.266 -13.860 1.180
220 H CYS 33 H CYS 33 2.392 -6.912 1.207
221 HA CYS 33 HA CYS 33 1.101 -4.900 -0.388
222 1HB CYS 33 1HB CYS 33 1.963 -4.936 2.526
223 2HB CYS 33 2HB CYS 33 0.917 -3.711 1.805
224 H GLY 34 H GLY 34 1.701 -2.873 -1.026
225 1HA GLY 34 1HA GLY 34 4.331 -2.078 -1.616
226 2HA GLY 34 2HA GLY 34 3.956 -1.398 -0.023
No H/Q in entry = 226
Start of MODEL 23
1 H SER 1 H SER 1 4.537 0.684 -1.072
2 HA SER 1 HA SER 1 2.076 2.127 -0.976
3 1HB SER 1 1HB SER 1 3.506 4.011 -1.926
4 2HB SER 1 2HB SER 1 3.993 3.304 -0.383
5 HG SER 1 HG SER 1 5.122 2.665 -2.925
6 H GLY 2 H GLY 2 0.768 3.026 -2.460
7 1HA GLY 2 1HA GLY 2 -0.338 1.957 -4.549
8 2HA GLY 2 2HA GLY 2 1.138 2.443 -5.376
9 H SER 3 H SER 3 -1.541 3.731 -3.384
10 HA SER 3 HA SER 3 -2.071 5.894 -5.247
11 1HB SER 3 1HB SER 3 -3.250 5.274 -2.518
12 2HB SER 3 2HB SER 3 -3.852 6.506 -3.640
13 HG SER 3 HG SER 3 -4.252 4.837 -5.157
14 H ASP 4 H ASP 4 -0.490 7.378 -5.364
15 HA ASP 4 HA ASP 4 1.181 8.375 -3.365
16 1HB ASP 4 1HB ASP 4 1.486 8.549 -5.822
17 2HB ASP 4 2HB ASP 4 0.210 9.765 -5.891
18 H GLY 5 H GLY 5 -2.120 9.319 -3.900
19 1HA GLY 5 1HA GLY 5 -3.480 10.982 -3.011
20 2HA GLY 5 2HA GLY 5 -2.053 11.893 -2.538
21 H GLY 6 H GLY 6 -1.681 8.858 -1.179
22 1HA GLY 6 1HA GLY 6 -3.205 8.195 0.856
23 2HA GLY 6 2HA GLY 6 -2.680 9.754 1.488
24 H VAL 7 H VAL 7 -2.182 7.653 3.012
25 HA VAL 7 HA VAL 7 0.795 7.393 2.927
26 HB VAL 7 HB VAL 7 0.694 7.146 5.370
27 1HG1 VAL 7 1HG1 VAL 7 1.181 9.318 4.299
28 2HG1 VAL 7 2HG1 VAL 7 -0.546 9.732 4.346
29 3HG1 VAL 7 3HG1 VAL 7 0.359 9.512 5.855
30 1HG2 VAL 7 1HG2 VAL 7 -1.656 6.414 5.694
31 2HG2 VAL 7 2HG2 VAL 7 -1.271 7.851 6.644
32 3HG2 VAL 7 3HG2 VAL 7 -2.226 8.012 5.160
33 H CYS 8 H CYS 8 1.799 5.528 3.171
34 HA CYS 8 HA CYS 8 0.244 3.008 3.571
35 1HB CYS 8 1HB CYS 8 0.551 3.131 1.218
36 2HB CYS 8 2HB CYS 8 2.236 3.637 1.389
37 HA PRO 9 HA PRO 9 3.695 2.552 6.597
38 1HB PRO 9 1HB PRO 9 1.888 0.218 7.252
39 2HB PRO 9 2HB PRO 9 2.758 1.323 8.356
40 1HG PRO 9 1HG PRO 9 0.091 1.601 7.934
41 2HG PRO 9 2HG PRO 9 1.148 3.048 8.015
42 1HD PRO 9 1HD PRO 9 0.087 1.638 5.551
43 2HD PRO 9 2HD PRO 9 0.149 3.389 5.912
44 H LYS 10 H LYS 10 5.424 1.748 5.480
45 HA LYS 10 HA LYS 10 5.138 -0.344 3.465
46 1HB LYS 10 1HB LYS 10 7.595 1.215 4.356
47 2HB LYS 10 2HB LYS 10 7.519 0.092 2.988
48 1HG LYS 10 1HG LYS 10 5.613 1.497 2.050
49 2HG LYS 10 2HG LYS 10 6.003 2.707 3.289
50 1HD LYS 10 1HD LYS 10 8.303 2.895 2.389
51 2HD LYS 10 2HD LYS 10 7.925 1.657 1.168
52 1HE LYS 10 1HE LYS 10 6.066 3.109 0.324
53 2HE LYS 10 2HE LYS 10 6.550 4.365 1.472
54 1HZ LYS 10 1HZ LYS 10 8.717 4.451 0.335
55 2HZ LYS 10 2HZ LYS 10 8.247 3.289 -0.720
56 3HZ LYS 10 3HZ LYS 10 7.509 4.737 -0.729
57 H ILE 11 H ILE 11 4.365 -1.723 5.369
58 HA ILE 11 HA ILE 11 6.464 -3.486 6.490
59 HB ILE 11 HB ILE 11 4.413 -4.848 7.210
60 1HG1 ILE 11 1HG1 ILE 11 2.295 -3.790 7.483
61 2HG1 ILE 11 2HG1 ILE 11 2.834 -2.284 6.764
62 1HG2 ILE 11 1HG2 ILE 11 5.762 -3.446 8.702
63 2HG2 ILE 11 2HG2 ILE 11 4.780 -2.026 8.286
64 3HG2 ILE 11 3HG2 ILE 11 4.052 -3.396 9.152
65 1HD1 ILE 11 1HD1 ILE 11 2.664 -4.894 5.211
66 2HD1 ILE 11 2HD1 ILE 11 1.332 -3.722 5.322
67 3HD1 ILE 11 3HD1 ILE 11 2.853 -3.252 4.553
68 H LEU 12 H LEU 12 6.114 -5.854 6.105
69 HA LEU 12 HA LEU 12 6.307 -6.433 3.233
70 1HB LEU 12 1HB LEU 12 6.676 -8.046 5.771
71 2HB LEU 12 2HB LEU 12 6.455 -8.881 4.249
72 HG LEU 12 HG LEU 12 8.796 -8.684 4.850
73 1HD1 LEU 12 1HD1 LEU 12 8.127 -8.832 2.466
74 2HD1 LEU 12 2HD1 LEU 12 8.203 -7.061 2.346
75 3HD1 LEU 12 3HD1 LEU 12 9.666 -7.992 2.709
76 1HD2 LEU 12 1HD2 LEU 12 8.754 -6.480 5.986
77 2HD2 LEU 12 2HD2 LEU 12 10.031 -6.608 4.765
78 3HD2 LEU 12 3HD2 LEU 12 8.560 -5.685 4.407
79 H LYS 13 H LYS 13 4.358 -8.052 5.667
80 HA LYS 13 HA LYS 13 2.443 -9.341 5.526
81 1HB LYS 13 1HB LYS 13 1.826 -7.028 6.166
82 2HB LYS 13 2HB LYS 13 1.389 -6.696 4.486
83 1HG LYS 13 1HG LYS 13 -0.319 -8.521 4.592
84 2HG LYS 13 2HG LYS 13 0.108 -8.813 6.279
85 1HD LYS 13 1HD LYS 13 -0.999 -6.215 5.117
86 2HD LYS 13 2HD LYS 13 -1.945 -7.415 5.989
87 1HE LYS 13 1HE LYS 13 0.364 -5.805 7.175
88 2HE LYS 13 2HE LYS 13 -1.348 -5.416 7.349
89 1HZ LYS 13 1HZ LYS 13 -1.667 -7.549 8.484
90 2HZ LYS 13 2HZ LYS 13 -0.074 -7.903 8.361
91 3HZ LYS 13 3HZ LYS 13 -0.564 -6.642 9.271
92 H LYS 14 H LYS 14 2.849 -10.963 4.044
93 HA LYS 14 HA LYS 14 2.459 -10.817 1.241
94 1HB LYS 14 1HB LYS 14 2.130 -13.214 1.232
95 2HB LYS 14 2HB LYS 14 3.558 -12.713 2.128
96 1HG LYS 14 1HG LYS 14 2.357 -13.088 4.284
97 2HG LYS 14 2HG LYS 14 0.912 -13.564 3.385
98 1HD LYS 14 1HD LYS 14 2.040 -15.549 4.138
99 2HD LYS 14 2HD LYS 14 2.159 -15.462 2.374
100 1HE LYS 14 1HE LYS 14 4.477 -14.580 2.577
101 2HE LYS 14 2HE LYS 14 4.342 -14.616 4.342
102 1HZ LYS 14 1HZ LYS 14 4.200 -17.000 2.569
103 2HZ LYS 14 2HZ LYS 14 5.481 -16.584 3.489
104 3HZ LYS 14 3HZ LYS 14 4.084 -17.037 4.199
105 H CYS 15 H CYS 15 0.854 -10.962 -0.045
106 HA CYS 15 HA CYS 15 -1.981 -11.001 0.981
107 1HB CYS 15 1HB CYS 15 -2.427 -8.911 -0.256
108 2HB CYS 15 2HB CYS 15 -1.255 -8.715 1.014
109 H ARG 16 H ARG 16 -3.598 -10.871 -0.616
110 HA ARG 16 HA ARG 16 -3.137 -12.446 -3.141
111 1HB ARG 16 1HB ARG 16 -5.658 -12.151 -1.472
112 2HB ARG 16 2HB ARG 16 -5.397 -13.297 -2.771
113 1HG ARG 16 1HG ARG 16 -4.029 -14.703 -1.455
114 2HG ARG 16 2HG ARG 16 -3.693 -13.466 -0.242
115 1HD ARG 16 1HD ARG 16 -6.427 -14.688 -0.712
116 2HD ARG 16 2HD ARG 16 -5.285 -15.167 0.558
117 HE ARG 16 HE ARG 16 -5.715 -12.340 0.768
118 1HH1 ARG 16 1HH1 ARG 16 -7.529 -15.287 1.330
119 2HH1 ARG 16 2HH1 ARG 16 -8.558 -14.525 2.517
120 1HH2 ARG 16 1HH2 ARG 16 -7.029 -11.445 2.278
121 2HH2 ARG 16 2HH2 ARG 16 -8.281 -12.407 3.038
122 H ARG 17 H ARG 17 -4.546 -9.619 -1.706
123 HA ARG 17 HA ARG 17 -5.364 -8.364 -4.253
124 1HB ARG 17 1HB ARG 17 -7.687 -7.958 -3.411
125 2HB ARG 17 2HB ARG 17 -7.352 -9.652 -3.769
126 1HG ARG 17 1HG ARG 17 -7.018 -10.091 -1.327
127 2HG ARG 17 2HG ARG 17 -7.425 -8.410 -0.975
128 1HD ARG 17 1HD ARG 17 -9.238 -10.389 -2.421
129 2HD ARG 17 2HD ARG 17 -9.295 -10.078 -0.681
130 HE ARG 17 HE ARG 17 -9.621 -7.553 -1.639
131 1HH1 ARG 17 1HH1 ARG 17 -11.410 -6.522 -1.964
132 2HH1 ARG 17 2HH1 ARG 17 -12.858 -7.332 -2.531
133 1HH2 ARG 17 1HH2 ARG 17 -11.391 -10.458 -2.498
134 2HH2 ARG 17 2HH2 ARG 17 -12.845 -9.542 -2.808
135 H ASP 18 H ASP 18 -6.162 -6.108 -3.852
136 HA ASP 18 HA ASP 18 -4.220 -4.732 -2.219
137 1HB ASP 18 1HB ASP 18 -6.751 -3.632 -3.500
138 2HB ASP 18 2HB ASP 18 -5.380 -2.686 -2.902
139 H SER 19 H SER 19 -7.419 -5.849 -1.544
140 HA SER 19 HA SER 19 -8.093 -4.181 0.705
141 1HB SER 19 1HB SER 19 -9.016 -7.040 0.345
142 2HB SER 19 2HB SER 19 -9.874 -5.696 1.107
143 HG SER 19 HG SER 19 -9.934 -4.699 -1.011
144 H ASP 20 H ASP 20 -5.871 -6.779 0.395
145 HA ASP 20 HA ASP 20 -5.770 -7.612 3.216
146 1HB ASP 20 1HB ASP 20 -3.965 -8.019 0.826
147 2HB ASP 20 2HB ASP 20 -3.555 -8.671 2.375
148 H CYS 21 H CYS 21 -4.623 -4.831 1.549
149 HA CYS 21 HA CYS 21 -2.356 -4.440 3.438
150 1HB CYS 21 1HB CYS 21 -2.882 -3.239 0.702
151 2HB CYS 21 2HB CYS 21 -1.447 -2.979 1.697
152 HA PRO 22 HA PRO 22 -4.476 -1.060 5.292
153 1HB PRO 22 1HB PRO 22 -2.464 0.335 6.503
154 2HB PRO 22 2HB PRO 22 -2.905 -1.333 6.971
155 1HG PRO 22 1HG PRO 22 -0.687 -0.454 5.098
156 2HG PRO 22 2HG PRO 22 -0.574 -1.585 6.482
157 1HD PRO 22 1HD PRO 22 -0.886 -2.457 3.914
158 2HD PRO 22 2HD PRO 22 -1.664 -3.296 5.290
159 H GLY 23 H GLY 23 -4.786 1.233 5.398
160 1HA GLY 23 1HA GLY 23 -3.575 3.409 4.447
161 2HA GLY 23 2HA GLY 23 -5.319 3.227 4.348
162 H ALA 24 H ALA 24 -2.550 3.864 2.633
163 HA ALA 24 HA ALA 24 -3.944 3.790 0.018
164 1HB ALA 24 1HB ALA 24 -3.054 5.906 0.997
165 2HB ALA 24 2HB ALA 24 -2.354 5.517 -0.579
166 3HB ALA 24 3HB ALA 24 -1.406 5.229 0.880
167 H CYS 25 H CYS 25 -2.080 1.556 1.503
168 HA CYS 25 HA CYS 25 -0.065 0.984 -0.488
169 1HB CYS 25 1HB CYS 25 -1.384 -0.879 1.502
170 2HB CYS 25 2HB CYS 25 0.134 -1.145 0.657
171 H ILE 26 H ILE 26 -0.062 -1.091 -1.587
172 HA ILE 26 HA ILE 26 -2.627 -2.198 -2.617
173 HB ILE 26 HB ILE 26 -1.560 -2.351 -4.887
174 1HG1 ILE 26 1HG1 ILE 26 0.367 -0.178 -4.019
175 2HG1 ILE 26 2HG1 ILE 26 0.825 -1.872 -3.961
176 1HG2 ILE 26 1HG2 ILE 26 -3.290 -0.674 -4.346
177 2HG2 ILE 26 2HG2 ILE 26 -2.034 0.490 -3.888
178 3HG2 ILE 26 3HG2 ILE 26 -2.163 -0.075 -5.566
179 1HD1 ILE 26 1HD1 ILE 26 -0.122 -0.502 -6.505
180 2HD1 ILE 26 2HD1 ILE 26 1.564 -0.746 -6.037
181 3HD1 ILE 26 3HD1 ILE 26 0.528 -2.161 -6.330
182 H CYS 27 H CYS 27 -2.268 -4.308 -3.658
183 HA CYS 27 HA CYS 27 -0.119 -5.883 -2.329
184 1HB CYS 27 1HB CYS 27 -2.452 -6.684 -2.281
185 2HB CYS 27 2HB CYS 27 -2.436 -6.834 -4.046
186 H ARG 28 H ARG 28 1.735 -5.690 -3.329
187 HA ARG 28 HA ARG 28 2.125 -4.793 -6.055
188 1HB ARG 28 1HB ARG 28 4.046 -5.970 -3.986
189 2HB ARG 28 2HB ARG 28 4.558 -5.178 -5.463
190 1HG ARG 28 1HG ARG 28 2.997 -3.824 -3.211
191 2HG ARG 28 2HG ARG 28 4.744 -3.768 -3.403
192 1HD ARG 28 1HD ARG 28 2.743 -2.720 -5.433
193 2HD ARG 28 2HD ARG 28 3.586 -1.732 -4.245
194 HE ARG 28 HE ARG 28 5.740 -2.421 -5.318
195 1HH1 ARG 28 1HH1 ARG 28 6.862 -2.292 -7.188
196 2HH1 ARG 28 2HH1 ARG 28 6.021 -2.270 -8.712
197 1HH2 ARG 28 1HH2 ARG 28 2.883 -2.470 -7.366
198 2HH2 ARG 28 2HH2 ARG 28 3.846 -2.385 -8.815
199 H GLY 29 H GLY 29 3.748 -6.008 -7.405
200 1HA GLY 29 1HA GLY 29 3.888 -7.639 -9.074
201 2HA GLY 29 2HA GLY 29 2.371 -8.307 -8.473
202 H ASN 30 H ASN 30 4.944 -8.073 -6.218
203 HA ASN 30 HA ASN 30 5.916 -10.844 -6.538
204 1HB ASN 30 1HB ASN 30 7.487 -10.338 -4.856
205 2HB ASN 30 2HB ASN 30 7.405 -8.913 -5.889
206 2HD2 ASN 30 2HD2 ASN 30 8.398 -9.027 -3.138
207 1HD2 ASN 30 1HD2 ASN 30 7.332 -7.963 -2.229
208 H GLY 31 H GLY 31 3.134 -9.575 -5.105
209 1HA GLY 31 1HA GLY 31 2.636 -12.074 -3.616
210 2HA GLY 31 2HA GLY 31 1.484 -10.795 -3.976
211 H TYR 32 H TYR 32 3.416 -8.741 -2.801
212 HA TYR 32 HA TYR 32 2.639 -9.065 0.065
213 1HB TYR 32 1HB TYR 32 5.315 -8.321 -1.105
214 2HB TYR 32 2HB TYR 32 4.893 -7.889 0.527
215 HD1 TYR 32 HD1 TYR 32 5.001 -9.477 2.318
216 HD2 TYR 32 HD2 TYR 32 5.619 -10.749 -1.747
217 HE1 TYR 32 HE1 TYR 32 5.995 -11.603 3.146
218 HE2 TYR 32 HE2 TYR 32 6.557 -12.909 -0.923
219 HH TYR 32 HH TYR 32 7.035 -13.562 2.561
220 H CYS 33 H CYS 33 2.708 -6.908 1.250
221 HA CYS 33 HA CYS 33 1.259 -4.964 -0.368
222 1HB CYS 33 1HB CYS 33 2.171 -4.960 2.519
223 2HB CYS 33 2HB CYS 33 1.177 -3.698 1.792
224 H GLY 34 H GLY 34 1.782 -2.755 -0.703
225 1HA GLY 34 1HA GLY 34 4.371 -1.989 -1.495
226 2HA GLY 34 2HA GLY 34 4.196 -1.484 0.195
No H/Q in entry = 226
Start of MODEL 24
1 H SER 1 H SER 1 4.668 0.387 -1.200
2 HA SER 1 HA SER 1 2.292 1.988 -1.445
3 1HB SER 1 1HB SER 1 3.874 3.761 -2.171
4 2HB SER 1 2HB SER 1 4.338 2.962 -0.663
5 HG SER 1 HG SER 1 5.458 2.597 -3.253
6 H GLY 2 H GLY 2 1.192 2.728 -3.202
7 1HA GLY 2 1HA GLY 2 0.294 2.391 -5.397
8 2HA GLY 2 2HA GLY 2 1.798 1.635 -5.908
9 H SER 3 H SER 3 1.088 3.301 -7.685
10 HA SER 3 HA SER 3 3.153 5.243 -7.864
11 1HB SER 3 1HB SER 3 2.031 5.895 -9.977
12 2HB SER 3 2HB SER 3 2.273 4.148 -9.816
13 HG SER 3 HG SER 3 0.155 4.676 -10.559
14 H ASP 4 H ASP 4 0.000 5.598 -6.510
15 HA ASP 4 HA ASP 4 -0.297 8.465 -6.678
16 1HB ASP 4 1HB ASP 4 -2.009 8.139 -4.966
17 2HB ASP 4 2HB ASP 4 -2.171 6.954 -6.256
18 H GLY 5 H GLY 5 1.756 6.492 -4.660
19 1HA GLY 5 1HA GLY 5 3.138 8.745 -3.586
20 2HA GLY 5 2HA GLY 5 3.371 7.062 -3.131
21 H GLY 6 H GLY 6 0.286 7.221 -2.292
22 1HA GLY 6 1HA GLY 6 -0.950 7.665 -0.423
23 2HA GLY 6 2HA GLY 6 0.159 8.973 -0.018
24 H VAL 7 H VAL 7 -0.810 7.836 2.046
25 HA VAL 7 HA VAL 7 1.364 6.876 3.582
26 HB VAL 7 HB VAL 7 -1.591 6.728 4.287
27 1HG1 VAL 7 1HG1 VAL 7 0.913 6.699 6.045
28 2HG1 VAL 7 2HG1 VAL 7 -0.760 6.813 6.631
29 3HG1 VAL 7 3HG1 VAL 7 -0.219 5.346 5.820
30 1HG2 VAL 7 1HG2 VAL 7 0.490 8.899 4.811
31 2HG2 VAL 7 2HG2 VAL 7 -0.933 9.042 3.755
32 3HG2 VAL 7 3HG2 VAL 7 -1.149 8.855 5.495
33 H CYS 8 H CYS 8 2.338 5.063 2.964
34 HA CYS 8 HA CYS 8 0.921 2.531 3.552
35 1HB CYS 8 1HB CYS 8 0.986 2.708 1.130
36 2HB CYS 8 2HB CYS 8 2.729 2.982 1.159
37 HA PRO 9 HA PRO 9 4.665 2.534 6.135
38 1HB PRO 9 1HB PRO 9 4.049 0.430 7.785
39 2HB PRO 9 2HB PRO 9 3.305 2.050 7.914
40 1HG PRO 9 1HG PRO 9 2.199 -0.390 6.492
41 2HG PRO 9 2HG PRO 9 1.367 0.673 7.670
42 1HD PRO 9 1HD PRO 9 1.071 0.980 5.000
43 2HD PRO 9 2HD PRO 9 1.149 2.410 6.073
44 H LYS 10 H LYS 10 3.804 0.179 3.854
45 HA LYS 10 HA LYS 10 4.866 -1.583 2.805
46 1HB LYS 10 1HB LYS 10 7.233 0.258 3.330
47 2HB LYS 10 2HB LYS 10 7.215 -1.039 2.136
48 1HG LYS 10 1HG LYS 10 5.455 0.024 0.865
49 2HG LYS 10 2HG LYS 10 5.294 1.325 2.046
50 1HD LYS 10 1HD LYS 10 7.849 0.755 0.485
51 2HD LYS 10 2HD LYS 10 6.609 1.917 -0.006
52 1HE LYS 10 1HE LYS 10 6.895 3.148 2.136
53 2HE LYS 10 2HE LYS 10 8.191 2.033 2.594
54 1HZ LYS 10 1HZ LYS 10 8.241 3.801 0.205
55 2HZ LYS 10 2HZ LYS 10 9.077 4.057 1.583
56 3HZ LYS 10 3HZ LYS 10 9.439 2.777 0.638
57 H ILE 11 H ILE 11 4.341 -2.411 5.168
58 HA ILE 11 HA ILE 11 6.644 -3.806 6.384
59 HB ILE 11 HB ILE 11 4.741 -4.866 7.813
60 1HG1 ILE 11 1HG1 ILE 11 2.821 -3.408 8.246
61 2HG1 ILE 11 2HG1 ILE 11 3.236 -2.369 6.894
62 1HG2 ILE 11 1HG2 ILE 11 6.443 -3.282 8.596
63 2HG2 ILE 11 2HG2 ILE 11 5.472 -1.915 8.008
64 3HG2 ILE 11 3HG2 ILE 11 4.877 -2.935 9.338
65 1HD1 ILE 11 1HD1 ILE 11 2.476 -5.300 6.663
66 2HD1 ILE 11 2HD1 ILE 11 1.346 -3.956 6.448
67 3HD1 ILE 11 3HD1 ILE 11 2.686 -4.162 5.308
68 H LEU 12 H LEU 12 6.657 -6.051 6.669
69 HA LEU 12 HA LEU 12 6.375 -7.417 4.092
70 1HB LEU 12 1HB LEU 12 7.566 -8.383 6.712
71 2HB LEU 12 2HB LEU 12 7.668 -9.227 5.167
72 HG LEU 12 HG LEU 12 8.879 -6.486 5.754
73 1HD1 LEU 12 1HD1 LEU 12 10.006 -8.341 6.929
74 2HD1 LEU 12 2HD1 LEU 12 10.180 -9.218 5.392
75 3HD1 LEU 12 3HD1 LEU 12 11.025 -7.673 5.644
76 1HD2 LEU 12 1HD2 LEU 12 9.083 -8.277 3.288
77 2HD2 LEU 12 2HD2 LEU 12 8.333 -6.663 3.368
78 3HD2 LEU 12 3HD2 LEU 12 10.075 -6.834 3.591
79 H LYS 13 H LYS 13 4.002 -7.109 4.380
80 HA LYS 13 HA LYS 13 2.658 -9.532 5.546
81 1HB LYS 13 1HB LYS 13 1.917 -7.396 6.409
82 2HB LYS 13 2HB LYS 13 1.561 -6.801 4.774
83 1HG LYS 13 1HG LYS 13 -0.217 -8.520 4.555
84 2HG LYS 13 2HG LYS 13 0.203 -9.153 6.165
85 1HD LYS 13 1HD LYS 13 -0.324 -6.883 7.141
86 2HD LYS 13 2HD LYS 13 -0.773 -6.328 5.525
87 1HE LYS 13 1HE LYS 13 -2.788 -6.832 6.649
88 2HE LYS 13 2HE LYS 13 -2.543 -8.095 5.442
89 1HZ LYS 13 1HZ LYS 13 -1.941 -8.368 8.346
90 2HZ LYS 13 2HZ LYS 13 -3.240 -9.008 7.594
91 3HZ LYS 13 3HZ LYS 13 -1.747 -9.554 7.233
92 H LYS 14 H LYS 14 2.604 -11.096 4.071
93 HA LYS 14 HA LYS 14 2.450 -10.716 1.227
94 1HB LYS 14 1HB LYS 14 2.089 -13.110 1.083
95 2HB LYS 14 2HB LYS 14 3.427 -12.730 2.159
96 1HG LYS 14 1HG LYS 14 1.924 -13.110 4.134
97 2HG LYS 14 2HG LYS 14 0.620 -13.564 3.017
98 1HD LYS 14 1HD LYS 14 2.017 -15.413 2.135
99 2HD LYS 14 2HD LYS 14 3.327 -14.955 3.247
100 1HE LYS 14 1HE LYS 14 1.818 -15.358 5.181
101 2HE LYS 14 2HE LYS 14 0.517 -15.819 4.074
102 1HZ LYS 14 1HZ LYS 14 3.113 -17.246 4.338
103 2HZ LYS 14 2HZ LYS 14 1.684 -17.769 4.927
104 3HZ LYS 14 3HZ LYS 14 1.909 -17.672 3.314
105 H CYS 15 H CYS 15 0.732 -10.911 -0.100
106 HA CYS 15 HA CYS 15 -2.058 -10.876 1.052
107 1HB CYS 15 1HB CYS 15 -2.525 -8.809 -0.247
108 2HB CYS 15 2HB CYS 15 -1.324 -8.602 0.994
109 H ARG 16 H ARG 16 -3.773 -10.866 -0.443
110 HA ARG 16 HA ARG 16 -3.365 -12.414 -2.991
111 1HB ARG 16 1HB ARG 16 -5.841 -12.123 -1.256
112 2HB ARG 16 2HB ARG 16 -5.634 -13.238 -2.592
113 1HG ARG 16 1HG ARG 16 -4.202 -14.672 -1.376
114 2HG ARG 16 2HG ARG 16 -3.845 -13.474 -0.130
115 1HD ARG 16 1HD ARG 16 -6.583 -14.704 -0.563
116 2HD ARG 16 2HD ARG 16 -5.397 -15.230 0.648
117 HE ARG 16 HE ARG 16 -5.836 -12.410 0.977
118 1HH1 ARG 16 1HH1 ARG 16 -7.073 -11.589 2.584
119 2HH1 ARG 16 2HH1 ARG 16 -8.291 -12.583 3.358
120 1HH2 ARG 16 1HH2 ARG 16 -7.610 -15.391 1.503
121 2HH2 ARG 16 2HH2 ARG 16 -8.587 -14.684 2.767
122 H ARG 17 H ARG 17 -4.704 -9.547 -1.579
123 HA ARG 17 HA ARG 17 -5.445 -8.327 -4.162
124 1HB ARG 17 1HB ARG 17 -7.452 -9.700 -3.057
125 2HB ARG 17 2HB ARG 17 -7.507 -8.308 -1.957
126 1HG ARG 17 1HG ARG 17 -8.020 -6.802 -3.755
127 2HG ARG 17 2HG ARG 17 -7.735 -8.071 -4.974
128 1HD ARG 17 1HD ARG 17 -9.638 -9.358 -4.059
129 2HD ARG 17 2HD ARG 17 -9.889 -8.113 -2.818
130 HE ARG 17 HE ARG 17 -9.963 -6.907 -5.426
131 1HH1 ARG 17 1HH1 ARG 17 -11.849 -6.242 -6.353
132 2HH1 ARG 17 2HH1 ARG 17 -13.367 -6.897 -5.800
133 1HH2 ARG 17 1HH2 ARG 17 -11.986 -8.933 -3.414
134 2HH2 ARG 17 2HH2 ARG 17 -13.453 -8.377 -4.181
135 H ASP 18 H ASP 18 -6.360 -6.100 -3.626
136 HA ASP 18 HA ASP 18 -4.303 -4.652 -2.098
137 1HB ASP 18 1HB ASP 18 -6.832 -3.541 -3.367
138 2HB ASP 18 2HB ASP 18 -5.417 -2.622 -2.830
139 H SER 19 H SER 19 -7.571 -5.728 -1.421
140 HA SER 19 HA SER 19 -8.117 -4.086 0.888
141 1HB SER 19 1HB SER 19 -9.898 -5.788 1.292
142 2HB SER 19 2HB SER 19 -9.933 -5.072 -0.328
143 HG SER 19 HG SER 19 -10.168 -7.401 -0.274
144 H ASP 20 H ASP 20 -6.063 -6.805 0.430
145 HA ASP 20 HA ASP 20 -5.955 -7.649 3.261
146 1HB ASP 20 1HB ASP 20 -4.262 -8.181 0.815
147 2HB ASP 20 2HB ASP 20 -3.683 -8.670 2.369
148 H CYS 21 H CYS 21 -4.794 -4.865 1.630
149 HA CYS 21 HA CYS 21 -2.440 -4.632 3.419
150 1HB CYS 21 1HB CYS 21 -3.044 -3.346 0.744
151 2HB CYS 21 2HB CYS 21 -1.559 -3.144 1.675
152 HA PRO 22 HA PRO 22 -3.764 -1.003 5.581
153 1HB PRO 22 1HB PRO 22 -1.096 0.217 4.896
154 2HB PRO 22 2HB PRO 22 -1.891 0.076 6.490
155 1HG PRO 22 1HG PRO 22 0.127 -1.602 5.807
156 2HG PRO 22 2HG PRO 22 -1.321 -2.225 6.664
157 1HD PRO 22 1HD PRO 22 -0.668 -2.381 3.718
158 2HD PRO 22 2HD PRO 22 -1.339 -3.624 4.812
159 H GLY 23 H GLY 23 -4.031 1.300 5.515
160 1HA GLY 23 1HA GLY 23 -3.914 3.478 4.431
161 2HA GLY 23 2HA GLY 23 -5.501 2.765 4.220
162 H ALA 24 H ALA 24 -2.459 3.559 2.627
163 HA ALA 24 HA ALA 24 -3.842 3.575 -0.022
164 1HB ALA 24 1HB ALA 24 -3.111 5.756 0.964
165 2HB ALA 24 2HB ALA 24 -2.374 5.383 -0.607
166 3HB ALA 24 3HB ALA 24 -1.432 5.166 0.877
167 H CYS 25 H CYS 25 -2.090 1.336 1.428
168 HA CYS 25 HA CYS 25 0.026 0.806 -0.511
169 1HB CYS 25 1HB CYS 25 -1.429 -1.034 1.407
170 2HB CYS 25 2HB CYS 25 0.035 -1.430 0.521
171 H ILE 26 H ILE 26 -0.035 -1.140 -1.768
172 HA ILE 26 HA ILE 26 -2.632 -2.225 -2.737
173 HB ILE 26 HB ILE 26 -1.579 -2.378 -5.035
174 1HG1 ILE 26 1HG1 ILE 26 0.211 -0.064 -4.258
175 2HG1 ILE 26 2HG1 ILE 26 0.778 -1.709 -4.052
176 1HG2 ILE 26 1HG2 ILE 26 -3.376 -0.772 -4.485
177 2HG2 ILE 26 2HG2 ILE 26 -2.160 0.443 -4.039
178 3HG2 ILE 26 3HG2 ILE 26 -2.277 -0.133 -5.714
179 1HD1 ILE 26 1HD1 ILE 26 -0.156 -0.529 -6.695
180 2HD1 ILE 26 2HD1 ILE 26 1.520 -0.806 -6.197
181 3HD1 ILE 26 3HD1 ILE 26 0.445 -2.197 -6.438
182 H CYS 27 H CYS 27 -2.320 -4.346 -3.754
183 HA CYS 27 HA CYS 27 -0.149 -5.924 -2.465
184 1HB CYS 27 1HB CYS 27 -2.481 -6.655 -2.326
185 2HB CYS 27 2HB CYS 27 -2.539 -6.863 -4.086
186 H ARG 28 H ARG 28 1.681 -5.688 -3.529
187 HA ARG 28 HA ARG 28 1.777 -4.971 -6.370
188 1HB ARG 28 1HB ARG 28 4.069 -5.387 -4.391
189 2HB ARG 28 2HB ARG 28 4.159 -4.609 -5.982
190 1HG ARG 28 1HG ARG 28 2.217 -3.106 -5.012
191 2HG ARG 28 2HG ARG 28 2.847 -3.607 -3.445
192 1HD ARG 28 1HD ARG 28 4.365 -2.163 -5.663
193 2HD ARG 28 2HD ARG 28 3.677 -1.438 -4.206
194 HE ARG 28 HE ARG 28 5.647 -3.585 -3.739
195 1HH1 ARG 28 1HH1 ARG 28 7.564 -3.087 -2.752
196 2HH1 ARG 28 2HH1 ARG 28 8.021 -1.422 -2.535
197 1HH2 ARG 28 1HH2 ARG 28 5.199 -0.100 -3.974
198 2HH2 ARG 28 2HH2 ARG 28 6.724 0.222 -3.198
199 H GLY 29 H GLY 29 3.727 -5.992 -7.574
200 1HA GLY 29 1HA GLY 29 4.148 -7.706 -9.101
201 2HA GLY 29 2HA GLY 29 2.705 -8.519 -8.500
202 H ASN 30 H ASN 30 5.079 -7.810 -6.167
203 HA ASN 30 HA ASN 30 6.474 -10.401 -6.192
204 1HB ASN 30 1HB ASN 30 7.633 -9.584 -4.257
205 2HB ASN 30 2HB ASN 30 7.578 -8.296 -5.459
206 2HD2 ASN 30 2HD2 ASN 30 8.202 -7.623 -2.874
207 1HD2 ASN 30 1HD2 ASN 30 6.824 -6.789 -2.162
208 H GLY 31 H GLY 31 3.374 -9.494 -5.140
209 1HA GLY 31 1HA GLY 31 3.010 -12.018 -3.645
210 2HA GLY 31 2HA GLY 31 1.759 -10.902 -4.183
211 H TYR 32 H TYR 32 3.553 -8.689 -2.821
212 HA TYR 32 HA TYR 32 2.477 -9.027 -0.049
213 1HB TYR 32 1HB TYR 32 5.237 -8.292 -0.991
214 2HB TYR 32 2HB TYR 32 4.661 -7.729 0.558
215 HD1 TYR 32 HD1 TYR 32 4.881 -9.034 2.456
216 HD2 TYR 32 HD2 TYR 32 5.328 -10.878 -1.395
217 HE1 TYR 32 HE1 TYR 32 5.857 -11.049 3.557
218 HE2 TYR 32 HE2 TYR 32 6.247 -12.926 -0.308
219 HH TYR 32 HH TYR 32 6.720 -13.151 3.237
220 H CYS 33 H CYS 33 2.233 -7.073 1.136
221 HA CYS 33 HA CYS 33 1.015 -4.944 -0.345
222 1HB CYS 33 1HB CYS 33 1.882 -5.163 2.561
223 2HB CYS 33 2HB CYS 33 0.858 -3.880 1.913
224 H GLY 34 H GLY 34 1.702 -2.903 -0.897
225 1HA GLY 34 1HA GLY 34 4.372 -2.243 -1.372
226 2HA GLY 34 2HA GLY 34 4.022 -1.614 0.242
No H/Q in entry = 226
Start of MODEL 25
1 H SER 1 H SER 1 4.461 0.482 -1.180
2 HA SER 1 HA SER 1 2.276 2.161 -1.283
3 1HB SER 1 1HB SER 1 4.970 2.553 -2.637
4 2HB SER 1 2HB SER 1 3.818 3.838 -2.221
5 HG SER 1 HG SER 1 5.614 3.329 -0.678
6 H GLY 2 H GLY 2 0.682 2.492 -2.661
7 1HA GLY 2 1HA GLY 2 -0.448 1.993 -4.828
8 2HA GLY 2 2HA GLY 2 1.105 2.229 -5.629
9 H SER 3 H SER 3 1.522 4.261 -6.373
10 HA SER 3 HA SER 3 1.368 6.597 -4.943
11 1HB SER 3 1HB SER 3 1.251 6.363 -7.970
12 2HB SER 3 2HB SER 3 1.832 7.758 -7.044
13 HG SER 3 HG SER 3 3.520 6.463 -6.229
14 H ASP 4 H ASP 4 -1.324 5.281 -6.754
15 HA ASP 4 HA ASP 4 -2.954 7.676 -6.864
16 1HB ASP 4 1HB ASP 4 -3.277 5.652 -8.274
17 2HB ASP 4 2HB ASP 4 -3.745 4.737 -6.839
18 H GLY 5 H GLY 5 -2.281 5.356 -4.333
19 1HA GLY 5 1HA GLY 5 -3.479 4.938 -2.291
20 2HA GLY 5 2HA GLY 5 -4.375 6.439 -2.494
21 H GLY 6 H GLY 6 -0.831 6.041 -2.809
22 1HA GLY 6 1HA GLY 6 -0.395 7.768 -0.395
23 2HA GLY 6 2HA GLY 6 0.248 8.248 -1.967
24 H VAL 7 H VAL 7 1.919 8.131 0.043
25 HA VAL 7 HA VAL 7 3.829 5.937 -0.451
26 HB VAL 7 HB VAL 7 3.901 8.189 1.612
27 1HG1 VAL 7 1HG1 VAL 7 6.059 6.222 0.698
28 2HG1 VAL 7 2HG1 VAL 7 6.324 7.623 1.757
29 3HG1 VAL 7 3HG1 VAL 7 5.319 6.285 2.314
30 1HG2 VAL 7 1HG2 VAL 7 5.306 7.895 -1.082
31 2HG2 VAL 7 2HG2 VAL 7 4.028 9.066 -0.692
32 3HG2 VAL 7 3HG2 VAL 7 5.599 9.185 0.104
33 H CYS 8 H CYS 8 3.431 3.984 0.418
34 HA CYS 8 HA CYS 8 1.878 3.703 2.899
35 1HB CYS 8 1HB CYS 8 1.618 2.167 0.901
36 2HB CYS 8 2HB CYS 8 3.235 1.563 1.252
37 HA PRO 9 HA PRO 9 5.839 3.233 5.227
38 1HB PRO 9 1HB PRO 9 4.792 3.022 7.738
39 2HB PRO 9 2HB PRO 9 4.908 4.573 6.861
40 1HG PRO 9 1HG PRO 9 2.494 2.748 7.072
41 2HG PRO 9 2HG PRO 9 2.573 4.516 7.358
42 1HD PRO 9 1HD PRO 9 1.756 3.457 4.984
43 2HD PRO 9 2HD PRO 9 2.708 4.976 5.033
44 H LYS 10 H LYS 10 5.676 1.330 3.788
45 HA LYS 10 HA LYS 10 4.307 -1.043 4.234
46 1HB LYS 10 1HB LYS 10 5.318 -0.226 2.141
47 2HB LYS 10 2HB LYS 10 6.931 -0.576 2.740
48 1HG LYS 10 1HG LYS 10 4.837 -2.771 2.583
49 2HG LYS 10 2HG LYS 10 5.619 -2.207 1.115
50 1HD LYS 10 1HD LYS 10 7.212 -3.301 3.461
51 2HD LYS 10 2HD LYS 10 6.633 -4.263 2.098
52 1HE LYS 10 1HE LYS 10 7.862 -2.789 0.523
53 2HE LYS 10 2HE LYS 10 8.466 -1.833 1.884
54 1HZ LYS 10 1HZ LYS 10 9.037 -4.719 1.443
55 2HZ LYS 10 2HZ LYS 10 10.086 -3.497 1.181
56 3HZ LYS 10 3HZ LYS 10 9.600 -3.832 2.701
57 H ILE 11 H ILE 11 4.645 -2.899 5.085
58 HA ILE 11 HA ILE 11 7.196 -3.738 6.324
59 HB ILE 11 HB ILE 11 5.882 -4.830 8.217
60 1HG1 ILE 11 1HG1 ILE 11 3.885 -3.658 9.042
61 2HG1 ILE 11 2HG1 ILE 11 3.770 -2.715 7.562
62 1HG2 ILE 11 1HG2 ILE 11 7.412 -2.905 8.473
63 2HG2 ILE 11 2HG2 ILE 11 6.052 -1.794 8.203
64 3HG2 ILE 11 3HG2 ILE 11 6.069 -2.859 9.622
65 1HD1 ILE 11 1HD1 ILE 11 3.568 -5.759 7.696
66 2HD1 ILE 11 2HD1 ILE 11 2.180 -4.651 7.711
67 3HD1 ILE 11 3HD1 ILE 11 3.217 -4.724 6.284
68 H LEU 12 H LEU 12 7.092 -6.182 6.825
69 HA LEU 12 HA LEU 12 6.472 -7.489 4.293
70 1HB LEU 12 1HB LEU 12 7.609 -8.581 6.890
71 2HB LEU 12 2HB LEU 12 7.471 -9.491 5.386
72 HG LEU 12 HG LEU 12 9.157 -6.972 5.745
73 1HD1 LEU 12 1HD1 LEU 12 10.022 -8.904 7.013
74 2HD1 LEU 12 2HD1 LEU 12 9.967 -9.901 5.542
75 3HD1 LEU 12 3HD1 LEU 12 11.069 -8.509 5.640
76 1HD2 LEU 12 1HD2 LEU 12 8.941 -8.938 3.418
77 2HD2 LEU 12 2HD2 LEU 12 8.467 -7.224 3.399
78 3HD2 LEU 12 3HD2 LEU 12 10.168 -7.662 3.570
79 H LYS 13 H LYS 13 4.254 -7.250 4.174
80 HA LYS 13 HA LYS 13 2.697 -9.403 5.573
81 1HB LYS 13 1HB LYS 13 2.116 -7.094 6.316
82 2HB LYS 13 2HB LYS 13 1.592 -6.714 4.666
83 1HG LYS 13 1HG LYS 13 -0.091 -8.556 4.816
84 2HG LYS 13 2HG LYS 13 0.495 -8.939 6.449
85 1HD LYS 13 1HD LYS 13 -0.080 -6.527 7.089
86 2HD LYS 13 2HD LYS 13 -0.919 -6.395 5.536
87 1HE LYS 13 1HE LYS 13 -1.507 -8.415 7.758
88 2HE LYS 13 2HE LYS 13 -2.430 -6.945 7.437
89 1HZ LYS 13 1HZ LYS 13 -2.974 -7.842 5.239
90 2HZ LYS 13 2HZ LYS 13 -2.178 -9.240 5.566
91 3HZ LYS 13 3HZ LYS 13 -3.511 -8.840 6.424
92 H LYS 14 H LYS 14 2.397 -10.995 4.196
93 HA LYS 14 HA LYS 14 2.442 -10.829 1.328
94 1HB LYS 14 1HB LYS 14 1.455 -12.991 3.242
95 2HB LYS 14 2HB LYS 14 1.511 -13.175 1.484
96 1HG LYS 14 1HG LYS 14 3.941 -12.785 1.481
97 2HG LYS 14 2HG LYS 14 3.925 -12.610 3.252
98 1HD LYS 14 1HD LYS 14 3.096 -14.929 3.480
99 2HD LYS 14 2HD LYS 14 3.102 -15.110 1.709
100 1HE LYS 14 1HE LYS 14 5.540 -14.664 1.667
101 2HE LYS 14 2HE LYS 14 5.546 -14.463 3.422
102 1HZ LYS 14 1HZ LYS 14 4.832 -16.975 2.001
103 2HZ LYS 14 2HZ LYS 14 6.235 -16.701 2.787
104 3HZ LYS 14 3HZ LYS 14 4.837 -16.789 3.626
105 H CYS 15 H CYS 15 0.814 -10.922 -0.096
106 HA CYS 15 HA CYS 15 -2.050 -10.869 0.806
107 1HB CYS 15 1HB CYS 15 -2.533 -8.864 -0.483
108 2HB CYS 15 2HB CYS 15 -1.308 -8.545 0.704
109 H ARG 16 H ARG 16 -3.597 -10.862 -0.894
110 HA ARG 16 HA ARG 16 -2.861 -12.040 -3.551
111 1HB ARG 16 1HB ARG 16 -3.806 -13.750 -2.001
112 2HB ARG 16 2HB ARG 16 -5.253 -12.759 -1.796
113 1HG ARG 16 1HG ARG 16 -5.797 -13.033 -4.195
114 2HG ARG 16 2HG ARG 16 -4.297 -13.958 -4.438
115 1HD ARG 16 1HD ARG 16 -5.111 -15.681 -2.862
116 2HD ARG 16 2HD ARG 16 -6.584 -14.728 -2.574
117 HE ARG 16 HE ARG 16 -6.284 -15.241 -5.389
118 1HH1 ARG 16 1HH1 ARG 16 -7.567 -16.684 -6.450
119 2HH1 ARG 16 2HH1 ARG 16 -8.407 -17.922 -5.555
120 1HH2 ARG 16 1HH2 ARG 16 -7.222 -16.957 -2.487
121 2HH2 ARG 16 2HH2 ARG 16 -8.227 -18.078 -3.371
122 H ARG 17 H ARG 17 -4.741 -9.737 -1.714
123 HA ARG 17 HA ARG 17 -5.548 -8.310 -4.191
124 1HB ARG 17 1HB ARG 17 -7.864 -7.995 -3.349
125 2HB ARG 17 2HB ARG 17 -7.509 -9.661 -3.812
126 1HG ARG 17 1HG ARG 17 -7.243 -10.286 -1.429
127 2HG ARG 17 2HG ARG 17 -7.558 -8.615 -0.940
128 1HD ARG 17 1HD ARG 17 -9.485 -10.442 -2.438
129 2HD ARG 17 2HD ARG 17 -9.535 -10.099 -0.712
130 HE ARG 17 HE ARG 17 -10.010 -7.714 -1.239
131 1HH1 ARG 17 1HH1 ARG 17 -11.300 -6.375 -2.165
132 2HH1 ARG 17 2HH1 ARG 17 -12.161 -6.782 -3.639
133 1HH2 ARG 17 1HH2 ARG 17 -10.756 -9.927 -3.862
134 2HH2 ARG 17 2HH2 ARG 17 -11.840 -8.766 -4.587
135 H ASP 18 H ASP 18 -6.488 -6.120 -3.653
136 HA ASP 18 HA ASP 18 -4.533 -4.771 -2.008
137 1HB ASP 18 1HB ASP 18 -7.103 -3.599 -3.120
138 2HB ASP 18 2HB ASP 18 -5.647 -2.724 -2.613
139 H SER 19 H SER 19 -7.648 -6.051 -1.280
140 HA SER 19 HA SER 19 -8.299 -4.499 1.076
141 1HB SER 19 1HB SER 19 -9.088 -7.381 0.550
142 2HB SER 19 2HB SER 19 -9.925 -6.197 1.561
143 HG SER 19 HG SER 19 -10.325 -4.967 -0.355
144 H ASP 20 H ASP 20 -5.946 -6.931 0.538
145 HA ASP 20 HA ASP 20 -5.619 -7.892 3.297
146 1HB ASP 20 1HB ASP 20 -3.873 -7.955 0.826
147 2HB ASP 20 2HB ASP 20 -3.416 -8.771 2.274
148 H CYS 21 H CYS 21 -4.844 -4.932 1.772
149 HA CYS 21 HA CYS 21 -2.424 -4.475 3.454
150 1HB CYS 21 1HB CYS 21 -3.238 -3.338 0.754
151 2HB CYS 21 2HB CYS 21 -1.733 -3.004 1.598
152 HA PRO 22 HA PRO 22 -4.318 -0.811 5.212
153 1HB PRO 22 1HB PRO 22 -2.171 0.819 5.694
154 2HB PRO 22 2HB PRO 22 -2.466 -0.696 6.600
155 1HG PRO 22 1HG PRO 22 -0.663 -0.292 4.198
156 2HG PRO 22 2HG PRO 22 -0.250 -1.068 5.760
157 1HD PRO 22 1HD PRO 22 -0.970 -2.536 3.597
158 2HD PRO 22 2HD PRO 22 -1.519 -2.996 5.233
159 H GLY 23 H GLY 23 -4.572 1.522 4.867
160 1HA GLY 23 1HA GLY 23 -4.981 3.416 3.595
161 2HA GLY 23 2HA GLY 23 -5.807 2.190 2.635
162 H ALA 24 H ALA 24 -2.470 3.377 3.029
163 HA ALA 24 HA ALA 24 -2.362 4.424 0.295
164 1HB ALA 24 1HB ALA 24 -0.261 4.266 2.490
165 2HB ALA 24 2HB ALA 24 -0.116 5.189 0.976
166 3HB ALA 24 3HB ALA 24 -1.352 5.631 2.162
167 H CYS 25 H CYS 25 -1.600 1.342 1.627
168 HA CYS 25 HA CYS 25 0.293 0.601 -0.521
169 1HB CYS 25 1HB CYS 25 -0.924 -0.881 1.810
170 2HB CYS 25 2HB CYS 25 -0.212 -1.742 0.470
171 H ILE 26 H ILE 26 -0.135 -1.169 -1.826
172 HA ILE 26 HA ILE 26 -2.894 -2.101 -2.437
173 HB ILE 26 HB ILE 26 -2.189 -2.247 -4.843
174 1HG1 ILE 26 1HG1 ILE 26 -0.056 -0.181 -4.293
175 2HG1 ILE 26 2HG1 ILE 26 0.336 -1.883 -4.204
176 1HG2 ILE 26 1HG2 ILE 26 -3.707 -0.472 -4.032
177 2HG2 ILE 26 2HG2 ILE 26 -2.318 0.595 -3.747
178 3HG2 ILE 26 3HG2 ILE 26 -2.725 0.081 -5.396
179 1HD1 ILE 26 1HD1 ILE 26 -0.958 -0.717 -6.681
180 2HD1 ILE 26 2HD1 ILE 26 0.786 -0.757 -6.426
181 3HD1 ILE 26 3HD1 ILE 26 -0.112 -2.290 -6.475
182 H CYS 27 H CYS 27 -2.664 -4.262 -3.658
183 HA CYS 27 HA CYS 27 -0.501 -5.873 -2.433
184 1HB CYS 27 1HB CYS 27 -2.801 -6.699 -2.466
185 2HB CYS 27 2HB CYS 27 -2.777 -6.748 -4.238
186 H ARG 28 H ARG 28 1.391 -5.604 -3.346
187 HA ARG 28 HA ARG 28 1.809 -4.728 -6.086
188 1HB ARG 28 1HB ARG 28 3.273 -4.828 -3.554
189 2HB ARG 28 2HB ARG 28 4.236 -5.665 -4.749
190 1HG ARG 28 1HG ARG 28 4.833 -3.314 -4.514
191 2HG ARG 28 2HG ARG 28 4.299 -3.691 -6.163
192 1HD ARG 28 1HD ARG 28 2.061 -2.715 -5.622
193 2HD ARG 28 2HD ARG 28 2.610 -2.389 -3.981
194 HE ARG 28 HE ARG 28 3.507 -0.415 -4.759
195 1HH1 ARG 28 1HH1 ARG 28 3.966 1.152 -6.071
196 2HH1 ARG 28 2HH1 ARG 28 4.184 0.890 -7.793
197 1HH2 ARG 28 1HH2 ARG 28 3.321 -2.437 -7.633
198 2HH2 ARG 28 2HH2 ARG 28 3.782 -1.101 -8.652
199 H GLY 29 H GLY 29 3.581 -5.868 -7.324
200 1HA GLY 29 1HA GLY 29 3.848 -7.540 -8.936
201 2HA GLY 29 2HA GLY 29 2.436 -8.358 -8.271
202 H ASN 30 H ASN 30 4.882 -7.749 -5.988
203 HA ASN 30 HA ASN 30 6.362 -10.273 -6.285
204 1HB ASN 30 1HB ASN 30 7.653 -9.512 -4.413
205 2HB ASN 30 2HB ASN 30 7.444 -8.165 -5.527
206 2HD2 ASN 30 2HD2 ASN 30 8.268 -7.554 -3.002
207 1HD2 ASN 30 1HD2 ASN 30 6.919 -6.836 -2.124
208 H GLY 31 H GLY 31 3.329 -9.590 -4.980
209 1HA GLY 31 1HA GLY 31 3.244 -12.158 -3.487
210 2HA GLY 31 2HA GLY 31 1.875 -11.164 -3.969
211 H TYR 32 H TYR 32 3.631 -8.829 -2.688
212 HA TYR 32 HA TYR 32 2.502 -9.109 0.061
213 1HB TYR 32 1HB TYR 32 5.177 -7.989 -0.772
214 2HB TYR 32 2HB TYR 32 4.506 -7.783 0.825
215 HD1 TYR 32 HD1 TYR 32 5.862 -10.329 -1.560
216 HD2 TYR 32 HD2 TYR 32 4.877 -9.376 2.521
217 HE1 TYR 32 HE1 TYR 32 7.179 -12.290 -0.788
218 HE2 TYR 32 HE2 TYR 32 6.252 -11.304 3.307
219 HH TYR 32 HH TYR 32 8.009 -13.426 1.020
220 H CYS 33 H CYS 33 2.282 -6.964 1.127
221 HA CYS 33 HA CYS 33 1.023 -5.013 -0.601
222 1HB CYS 33 1HB CYS 33 1.892 -4.888 2.317
223 2HB CYS 33 2HB CYS 33 0.835 -3.717 1.531
224 H GLY 34 H GLY 34 1.612 -2.876 -1.058
225 1HA GLY 34 1HA GLY 34 4.285 -2.190 -1.693
226 2HA GLY 34 2HA GLY 34 3.956 -1.580 -0.061
No H/Q in entry = 226
Start of MODEL 26
1 H SER 1 H SER 1 4.397 0.557 -1.745
2 HA SER 1 HA SER 1 1.933 2.042 -1.560
3 1HB SER 1 1HB SER 1 3.373 3.951 -2.200
4 2HB SER 1 2HB SER 1 4.075 2.974 -0.903
5 HG SER 1 HG SER 1 5.543 3.544 -2.691
6 H GLY 2 H GLY 2 3.013 0.230 -4.196
7 1HA GLY 2 1HA GLY 2 1.326 1.604 -6.166
8 2HA GLY 2 2HA GLY 2 2.396 0.239 -6.472
9 H SER 3 H SER 3 4.453 2.176 -5.001
10 HA SER 3 HA SER 3 6.225 3.417 -5.520
11 1HB SER 3 1HB SER 3 5.570 3.091 -8.458
12 2HB SER 3 2HB SER 3 7.097 3.630 -7.749
13 HG SER 3 HG SER 3 7.235 1.447 -8.235
14 H ASP 4 H ASP 4 3.143 4.527 -6.180
15 HA ASP 4 HA ASP 4 4.098 7.346 -6.072
16 1HB ASP 4 1HB ASP 4 2.813 8.082 -7.829
17 2HB ASP 4 2HB ASP 4 3.498 6.589 -8.447
18 H GLY 5 H GLY 5 2.210 5.106 -4.492
19 1HA GLY 5 1HA GLY 5 0.429 5.169 -3.057
20 2HA GLY 5 2HA GLY 5 -0.142 6.626 -3.862
21 H GLY 6 H GLY 6 -0.779 6.780 -1.507
22 1HA GLY 6 1HA GLY 6 -0.805 8.372 0.171
23 2HA GLY 6 2HA GLY 6 0.841 8.869 -0.234
24 H VAL 7 H VAL 7 -0.947 7.698 2.164
25 HA VAL 7 HA VAL 7 1.229 6.862 3.849
26 HB VAL 7 HB VAL 7 -0.611 6.296 5.495
27 1HG1 VAL 7 1HG1 VAL 7 0.631 8.413 5.491
28 2HG1 VAL 7 2HG1 VAL 7 -0.515 9.105 4.323
29 3HG1 VAL 7 3HG1 VAL 7 -1.057 8.662 5.955
30 1HG2 VAL 7 1HG2 VAL 7 -2.520 5.989 3.865
31 2HG2 VAL 7 2HG2 VAL 7 -2.838 7.180 5.127
32 3HG2 VAL 7 3HG2 VAL 7 -2.432 7.722 3.492
33 H CYS 8 H CYS 8 2.211 5.171 2.776
34 HA CYS 8 HA CYS 8 0.991 2.531 3.420
35 1HB CYS 8 1HB CYS 8 0.830 2.836 1.027
36 2HB CYS 8 2HB CYS 8 2.556 3.204 0.922
37 HA PRO 9 HA PRO 9 4.987 2.512 5.611
38 1HB PRO 9 1HB PRO 9 4.480 0.530 7.408
39 2HB PRO 9 2HB PRO 9 3.746 2.153 7.520
40 1HG PRO 9 1HG PRO 9 2.521 -0.340 6.290
41 2HG PRO 9 2HG PRO 9 1.800 0.753 7.516
42 1HD PRO 9 1HD PRO 9 1.264 1.000 4.867
43 2HD PRO 9 2HD PRO 9 1.423 2.446 5.907
44 H LYS 10 H LYS 10 3.786 0.173 3.484
45 HA LYS 10 HA LYS 10 4.691 -1.555 2.268
46 1HB LYS 10 1HB LYS 10 7.301 -0.076 2.757
47 2HB LYS 10 2HB LYS 10 6.932 -1.107 1.375
48 1HG LYS 10 1HG LYS 10 5.392 0.520 0.462
49 2HG LYS 10 2HG LYS 10 5.443 1.472 1.944
50 1HD LYS 10 1HD LYS 10 7.974 1.754 1.546
51 2HD LYS 10 2HD LYS 10 7.676 1.094 -0.065
52 1HE LYS 10 1HE LYS 10 7.674 3.479 -0.248
53 2HE LYS 10 2HE LYS 10 6.009 2.937 -0.449
54 1HZ LYS 10 1HZ LYS 10 5.616 3.575 1.912
55 2HZ LYS 10 2HZ LYS 10 7.168 4.070 2.051
56 3HZ LYS 10 3HZ LYS 10 6.155 4.855 1.047
57 H ILE 11 H ILE 11 4.272 -2.488 4.638
58 HA ILE 11 HA ILE 11 6.628 -3.825 5.773
59 HB ILE 11 HB ILE 11 5.284 -4.653 7.478
60 1HG1 ILE 11 1HG1 ILE 11 3.374 -5.548 6.424
61 2HG1 ILE 11 2HG1 ILE 11 2.889 -4.492 7.725
62 1HG2 ILE 11 1HG2 ILE 11 5.837 -2.268 7.615
63 2HG2 ILE 11 2HG2 ILE 11 4.257 -1.855 6.924
64 3HG2 ILE 11 3HG2 ILE 11 4.350 -2.672 8.492
65 1HD1 ILE 11 1HD1 ILE 11 2.234 -2.744 6.054
66 2HD1 ILE 11 2HD1 ILE 11 2.651 -3.884 4.748
67 3HD1 ILE 11 3HD1 ILE 11 1.344 -4.267 5.878
68 H LEU 12 H LEU 12 6.682 -6.093 6.118
69 HA LEU 12 HA LEU 12 6.325 -7.628 3.650
70 1HB LEU 12 1HB LEU 12 7.486 -8.461 6.332
71 2HB LEU 12 2HB LEU 12 7.558 -9.410 4.844
72 HG LEU 12 HG LEU 12 8.870 -6.686 5.243
73 1HD1 LEU 12 1HD1 LEU 12 9.937 -8.507 6.523
74 2HD1 LEU 12 2HD1 LEU 12 10.060 -9.483 5.040
75 3HD1 LEU 12 3HD1 LEU 12 10.967 -7.959 5.189
76 1HD2 LEU 12 1HD2 LEU 12 8.968 -8.635 2.893
77 2HD2 LEU 12 2HD2 LEU 12 8.297 -6.988 2.876
78 3HD2 LEU 12 3HD2 LEU 12 10.031 -7.223 3.096
79 H LYS 13 H LYS 13 3.874 -6.924 4.687
80 HA LYS 13 HA LYS 13 2.462 -9.332 5.679
81 1HB LYS 13 1HB LYS 13 1.798 -7.063 6.357
82 2HB LYS 13 2HB LYS 13 1.447 -6.635 4.674
83 1HG LYS 13 1HG LYS 13 -0.379 -8.315 4.651
84 2HG LYS 13 2HG LYS 13 0.072 -8.824 6.297
85 1HD LYS 13 1HD LYS 13 -0.342 -6.431 7.071
86 2HD LYS 13 2HD LYS 13 -0.904 -6.061 5.439
87 1HE LYS 13 1HE LYS 13 -2.828 -6.408 6.752
88 2HE LYS 13 2HE LYS 13 -2.676 -7.814 5.695
89 1HZ LYS 13 1HZ LYS 13 -1.863 -7.736 8.560
90 2HZ LYS 13 2HZ LYS 13 -3.211 -8.450 7.988
91 3HZ LYS 13 3HZ LYS 13 -1.749 -9.051 7.591
92 H LYS 14 H LYS 14 2.495 -10.961 4.244
93 HA LYS 14 HA LYS 14 2.429 -10.704 1.380
94 1HB LYS 14 1HB LYS 14 2.108 -13.077 1.306
95 2HB LYS 14 2HB LYS 14 3.369 -12.667 2.466
96 1HG LYS 14 1HG LYS 14 1.691 -12.955 4.330
97 2HG LYS 14 2HG LYS 14 0.510 -13.509 3.136
98 1HD LYS 14 1HD LYS 14 3.210 -14.824 3.679
99 2HD LYS 14 2HD LYS 14 1.661 -15.355 4.349
100 1HE LYS 14 1HE LYS 14 0.790 -15.734 2.047
101 2HE LYS 14 2HE LYS 14 2.353 -15.248 1.379
102 1HZ LYS 14 1HZ LYS 14 1.924 -17.576 3.176
103 2HZ LYS 14 2HZ LYS 14 2.189 -17.660 1.570
104 3HZ LYS 14 3HZ LYS 14 3.369 -17.122 2.560
105 H CYS 15 H CYS 15 0.860 -10.891 -0.017
106 HA CYS 15 HA CYS 15 -2.021 -10.959 0.841
107 1HB CYS 15 1HB CYS 15 -2.460 -8.890 -0.423
108 2HB CYS 15 2HB CYS 15 -1.343 -8.638 0.886
109 H ARG 16 H ARG 16 -3.520 -10.826 -0.960
110 HA ARG 16 HA ARG 16 -2.610 -11.878 -3.613
111 1HB ARG 16 1HB ARG 16 -3.524 -13.720 -2.168
112 2HB ARG 16 2HB ARG 16 -5.070 -12.865 -2.104
113 1HG ARG 16 1HG ARG 16 -5.339 -13.117 -4.540
114 2HG ARG 16 2HG ARG 16 -3.714 -13.825 -4.668
115 1HD ARG 16 1HD ARG 16 -4.438 -15.721 -3.249
116 2HD ARG 16 2HD ARG 16 -6.057 -15.003 -3.117
117 HE ARG 16 HE ARG 16 -5.427 -15.269 -5.882
118 1HH1 ARG 16 1HH1 ARG 16 -6.230 -16.873 -7.160
119 2HH1 ARG 16 2HH1 ARG 16 -6.816 -18.347 -6.441
120 1HH2 ARG 16 1HH2 ARG 16 -6.148 -17.412 -3.210
121 2HH2 ARG 16 2HH2 ARG 16 -6.775 -18.654 -4.265
122 H ARG 17 H ARG 17 -4.612 -9.707 -1.794
123 HA ARG 17 HA ARG 17 -5.444 -8.317 -4.288
124 1HB ARG 17 1HB ARG 17 -7.759 -8.019 -3.424
125 2HB ARG 17 2HB ARG 17 -7.375 -9.682 -3.864
126 1HG ARG 17 1HG ARG 17 -7.045 -10.247 -1.464
127 2HG ARG 17 2HG ARG 17 -7.458 -8.587 -1.009
128 1HD ARG 17 1HD ARG 17 -9.265 -10.507 -2.540
129 2HD ARG 17 2HD ARG 17 -9.327 -10.259 -0.790
130 HE ARG 17 HE ARG 17 -9.697 -7.716 -1.577
131 1HH1 ARG 17 1HH1 ARG 17 -11.457 -6.670 -1.978
132 2HH1 ARG 17 2HH1 ARG 17 -12.844 -7.438 -2.734
133 1HH2 ARG 17 1HH2 ARG 17 -11.342 -10.544 -2.845
134 2HH2 ARG 17 2HH2 ARG 17 -12.774 -9.611 -3.202
135 H ASP 18 H ASP 18 -6.327 -6.133 -3.827
136 HA ASP 18 HA ASP 18 -4.396 -4.725 -2.207
137 1HB ASP 18 1HB ASP 18 -6.966 -3.676 -3.448
138 2HB ASP 18 2HB ASP 18 -5.609 -2.702 -2.869
139 H SER 19 H SER 19 -7.537 -5.956 -1.495
140 HA SER 19 HA SER 19 -8.237 -4.348 0.795
141 1HB SER 19 1HB SER 19 -9.035 -7.241 0.377
142 2HB SER 19 2HB SER 19 -9.928 -5.969 1.219
143 HG SER 19 HG SER 19 -10.110 -4.898 -0.851
144 H ASP 20 H ASP 20 -5.896 -6.842 0.385
145 HA ASP 20 HA ASP 20 -5.702 -7.763 3.161
146 1HB ASP 20 1HB ASP 20 -3.837 -7.874 0.783
147 2HB ASP 20 2HB ASP 20 -3.493 -8.704 2.260
148 H CYS 21 H CYS 21 -4.741 -4.845 1.605
149 HA CYS 21 HA CYS 21 -2.404 -4.487 3.416
150 1HB CYS 21 1HB CYS 21 -3.009 -3.320 0.684
151 2HB CYS 21 2HB CYS 21 -1.550 -3.022 1.634
152 HA PRO 22 HA PRO 22 -4.295 -1.056 5.373
153 1HB PRO 22 1HB PRO 22 -2.188 0.216 6.531
154 2HB PRO 22 2HB PRO 22 -2.623 -1.469 6.944
155 1HG PRO 22 1HG PRO 22 -0.530 -0.532 4.951
156 2HG PRO 22 2HG PRO 22 -0.322 -1.700 6.296
157 1HD PRO 22 1HD PRO 22 -0.835 -2.520 3.748
158 2HD PRO 22 2HD PRO 22 -1.526 -3.372 5.160
159 H GLY 23 H GLY 23 -4.400 1.266 5.609
160 1HA GLY 23 1HA GLY 23 -3.071 3.361 4.613
161 2HA GLY 23 2HA GLY 23 -4.824 3.358 4.727
162 H ALA 24 H ALA 24 -2.185 3.658 2.688
163 HA ALA 24 HA ALA 24 -3.892 3.800 0.243
164 1HB ALA 24 1HB ALA 24 -2.851 5.899 1.140
165 2HB ALA 24 2HB ALA 24 -2.344 5.499 -0.509
166 3HB ALA 24 3HB ALA 24 -1.252 5.171 0.849
167 H CYS 25 H CYS 25 -1.994 1.454 1.473
168 HA CYS 25 HA CYS 25 -0.133 0.901 -0.667
169 1HB CYS 25 1HB CYS 25 -1.431 -0.935 1.368
170 2HB CYS 25 2HB CYS 25 -0.042 -1.338 0.367
171 H ILE 26 H ILE 26 -0.237 -1.102 -1.839
172 HA ILE 26 HA ILE 26 -2.849 -2.219 -2.708
173 HB ILE 26 HB ILE 26 -2.022 -2.413 -5.002
174 1HG1 ILE 26 1HG1 ILE 26 0.208 -0.436 -4.531
175 2HG1 ILE 26 2HG1 ILE 26 0.510 -2.144 -4.247
176 1HG2 ILE 26 1HG2 ILE 26 -3.454 -0.497 -4.381
177 2HG2 ILE 26 2HG2 ILE 26 -2.006 0.499 -4.118
178 3HG2 ILE 26 3HG2 ILE 26 -2.377 -0.124 -5.737
179 1HD1 ILE 26 1HD1 ILE 26 -0.231 -2.707 -6.538
180 2HD1 ILE 26 2HD1 ILE 26 -0.433 -0.969 -6.879
181 3HD1 ILE 26 3HD1 ILE 26 1.169 -1.637 -6.502
182 H CYS 27 H CYS 27 -2.400 -4.380 -3.837
183 HA CYS 27 HA CYS 27 -0.214 -5.854 -2.445
184 1HB CYS 27 1HB CYS 27 -2.516 -6.756 -2.476
185 2HB CYS 27 2HB CYS 27 -2.421 -6.921 -4.239
186 H ARG 28 H ARG 28 1.695 -5.736 -3.400
187 HA ARG 28 HA ARG 28 2.167 -4.894 -6.143
188 1HB ARG 28 1HB ARG 28 4.023 -6.122 -4.057
189 2HB ARG 28 2HB ARG 28 4.568 -5.361 -5.539
190 1HG ARG 28 1HG ARG 28 3.125 -3.927 -3.273
191 2HG ARG 28 2HG ARG 28 4.866 -3.995 -3.508
192 1HD ARG 28 1HD ARG 28 3.866 -3.099 -5.988
193 2HD ARG 28 2HD ARG 28 2.877 -2.271 -4.771
194 HE ARG 28 HE ARG 28 5.408 -1.862 -3.808
195 1HH1 ARG 28 1HH1 ARG 28 6.731 -0.110 -4.204
196 2HH1 ARG 28 2HH1 ARG 28 6.657 0.624 -5.794
197 1HH2 ARG 28 1HH2 ARG 28 4.313 -1.378 -7.127
198 2HH2 ARG 28 2HH2 ARG 28 5.411 -0.019 -7.305
199 H GLY 29 H GLY 29 3.702 -6.169 -7.469
200 1HA GLY 29 1HA GLY 29 3.864 -7.875 -9.062
201 2HA GLY 29 2HA GLY 29 2.382 -8.566 -8.407
202 H ASN 30 H ASN 30 4.982 -8.114 -6.195
203 HA ASN 30 HA ASN 30 6.047 -10.858 -6.391
204 1HB ASN 30 1HB ASN 30 7.597 -10.237 -4.742
205 2HB ASN 30 2HB ASN 30 7.448 -8.833 -5.795
206 2HD2 ASN 30 2HD2 ASN 30 8.502 -8.772 -3.107
207 1HD2 ASN 30 1HD2 ASN 30 7.374 -7.793 -2.177
208 H GLY 31 H GLY 31 3.217 -9.629 -5.025
209 1HA GLY 31 1HA GLY 31 2.785 -12.084 -3.442
210 2HA GLY 31 2HA GLY 31 1.591 -10.871 -3.879
211 H TYR 32 H TYR 32 3.451 -8.688 -2.752
212 HA TYR 32 HA TYR 32 2.572 -8.940 0.093
213 1HB TYR 32 1HB TYR 32 5.271 -8.109 -0.965
214 2HB TYR 32 2HB TYR 32 4.745 -7.722 0.659
215 HD1 TYR 32 HD1 TYR 32 5.671 -10.533 -1.624
216 HD2 TYR 32 HD2 TYR 32 4.895 -9.288 2.418
217 HE1 TYR 32 HE1 TYR 32 6.625 -12.671 -0.788
218 HE2 TYR 32 HE2 TYR 32 5.904 -11.406 3.273
219 HH TYR 32 HH TYR 32 7.164 -13.923 1.052
220 H CYS 33 H CYS 33 2.393 -6.870 1.205
221 HA CYS 33 HA CYS 33 1.073 -4.903 -0.391
222 1HB CYS 33 1HB CYS 33 2.043 -4.847 2.485
223 2HB CYS 33 2HB CYS 33 0.968 -3.642 1.768
224 H GLY 34 H GLY 34 1.595 -2.822 -1.041
225 1HA GLY 34 1HA GLY 34 4.104 -2.136 -1.951
226 2HA GLY 34 2HA GLY 34 4.075 -1.467 -0.309
No H/Q in entry = 226
Start of MODEL 27
1 H SER 1 H SER 1 4.366 1.043 -0.484
2 HA SER 1 HA SER 1 1.973 2.396 -1.112
3 1HB SER 1 1HB SER 1 4.816 3.094 -1.935
4 2HB SER 1 2HB SER 1 3.436 4.213 -1.928
5 HG SER 1 HG SER 1 4.871 4.184 -0.005
6 H GLY 2 H GLY 2 1.154 3.292 -3.107
7 1HA GLY 2 1HA GLY 2 0.167 2.277 -5.118
8 2HA GLY 2 2HA GLY 2 1.725 1.591 -5.518
9 H SER 3 H SER 3 0.934 2.584 -7.583
10 HA SER 3 HA SER 3 2.640 4.733 -8.315
11 1HB SER 3 1HB SER 3 1.539 4.507 -10.531
12 2HB SER 3 2HB SER 3 2.086 2.966 -9.851
13 HG SER 3 HG SER 3 -0.051 2.846 -10.719
14 H ASP 4 H ASP 4 -0.557 4.896 -7.069
15 HA ASP 4 HA ASP 4 -1.397 7.467 -8.065
16 1HB ASP 4 1HB ASP 4 -2.849 5.770 -6.959
17 2HB ASP 4 2HB ASP 4 -2.008 6.058 -5.436
18 H GLY 5 H GLY 5 1.105 6.617 -5.822
19 1HA GLY 5 1HA GLY 5 1.742 9.442 -5.245
20 2HA GLY 5 2HA GLY 5 2.726 8.026 -4.892
21 H GLY 6 H GLY 6 -0.233 7.232 -3.721
22 1HA GLY 6 1HA GLY 6 -1.157 7.007 -1.619
23 2HA GLY 6 2HA GLY 6 -0.488 8.589 -1.205
24 H VAL 7 H VAL 7 1.061 8.612 0.306
25 HA VAL 7 HA VAL 7 3.196 6.701 0.549
26 HB VAL 7 HB VAL 7 2.318 8.788 2.590
27 1HG1 VAL 7 1HG1 VAL 7 4.971 7.311 2.207
28 2HG1 VAL 7 2HG1 VAL 7 4.691 8.651 3.339
29 3HG1 VAL 7 3HG1 VAL 7 3.863 7.116 3.582
30 1HG2 VAL 7 1HG2 VAL 7 4.370 8.940 0.336
31 2HG2 VAL 7 2HG2 VAL 7 2.849 9.849 0.430
32 3HG2 VAL 7 3HG2 VAL 7 4.126 10.167 1.600
33 H CYS 8 H CYS 8 2.622 4.618 0.974
34 HA CYS 8 HA CYS 8 0.973 4.015 3.354
35 1HB CYS 8 1HB CYS 8 0.934 2.587 1.260
36 2HB CYS 8 2HB CYS 8 2.583 2.110 1.633
37 HA PRO 9 HA PRO 9 4.573 4.038 6.189
38 1HB PRO 9 1HB PRO 9 2.839 1.811 7.301
39 2HB PRO 9 2HB PRO 9 3.807 3.022 8.204
40 1HG PRO 9 1HG PRO 9 1.178 3.461 7.809
41 2HG PRO 9 2HG PRO 9 2.344 4.797 7.540
42 1HD PRO 9 1HD PRO 9 0.932 3.096 5.503
43 2HD PRO 9 2HD PRO 9 1.407 4.829 5.419
44 H LYS 10 H LYS 10 4.555 2.002 3.793
45 HA LYS 10 HA LYS 10 5.692 0.165 3.000
46 1HB LYS 10 1HB LYS 10 7.867 1.570 4.592
47 2HB LYS 10 2HB LYS 10 8.117 0.476 3.224
48 1HG LYS 10 1HG LYS 10 6.792 2.040 1.772
49 2HG LYS 10 2HG LYS 10 6.736 3.189 3.116
50 1HD LYS 10 1HD LYS 10 9.297 2.148 1.837
51 2HD LYS 10 2HD LYS 10 8.511 3.685 1.450
52 1HE LYS 10 1HE LYS 10 8.749 4.411 3.821
53 2HE LYS 10 2HE LYS 10 9.582 2.896 4.195
54 1HZ LYS 10 1HZ LYS 10 11.319 3.536 2.606
55 2HZ LYS 10 2HZ LYS 10 10.549 4.939 2.265
56 3HZ LYS 10 3HZ LYS 10 11.160 4.683 3.756
57 H ILE 11 H ILE 11 4.256 -0.869 4.826
58 HA ILE 11 HA ILE 11 5.785 -2.801 6.464
59 HB ILE 11 HB ILE 11 3.594 -3.733 7.050
60 1HG1 ILE 11 1HG1 ILE 11 1.621 -1.957 6.402
61 2HG1 ILE 11 2HG1 ILE 11 2.541 -1.895 4.908
62 1HG2 ILE 11 1HG2 ILE 11 4.621 -1.896 8.346
63 2HG2 ILE 11 2HG2 ILE 11 3.691 -0.712 7.403
64 3HG2 ILE 11 3HG2 ILE 11 2.855 -1.888 8.435
65 1HD1 ILE 11 1HD1 ILE 11 2.386 -4.443 4.834
66 2HD1 ILE 11 2HD1 ILE 11 1.283 -4.335 6.227
67 3HD1 ILE 11 3HD1 ILE 11 0.845 -3.591 4.680
68 H LEU 12 H LEU 12 5.904 -4.955 6.011
69 HA LEU 12 HA LEU 12 6.161 -5.682 3.204
70 1HB LEU 12 1HB LEU 12 6.470 -7.323 5.750
71 2HB LEU 12 2HB LEU 12 6.761 -7.976 4.138
72 HG LEU 12 HG LEU 12 8.272 -5.604 5.342
73 1HD1 LEU 12 1HD1 LEU 12 8.727 -7.714 6.538
74 2HD1 LEU 12 2HD1 LEU 12 9.103 -8.516 4.997
75 3HD1 LEU 12 3HD1 LEU 12 10.130 -7.195 5.596
76 1HD2 LEU 12 1HD2 LEU 12 8.762 -7.250 2.816
77 2HD2 LEU 12 2HD2 LEU 12 8.315 -5.529 2.884
78 3HD2 LEU 12 3HD2 LEU 12 9.885 -6.049 3.492
79 H LYS 13 H LYS 13 4.313 -7.338 5.681
80 HA LYS 13 HA LYS 13 2.612 -8.912 5.560
81 1HB LYS 13 1HB LYS 13 1.762 -6.632 6.114
82 2HB LYS 13 2HB LYS 13 1.230 -6.465 4.433
83 1HG LYS 13 1HG LYS 13 -0.208 -8.526 4.769
84 2HG LYS 13 2HG LYS 13 0.306 -8.532 6.470
85 1HD LYS 13 1HD LYS 13 -0.605 -6.137 6.624
86 2HD LYS 13 2HD LYS 13 -1.289 -6.385 5.000
87 1HE LYS 13 1HE LYS 13 -2.441 -8.451 5.907
88 2HE LYS 13 2HE LYS 13 -1.843 -8.012 7.519
89 1HZ LYS 13 1HZ LYS 13 -3.101 -5.904 7.286
90 2HZ LYS 13 2HZ LYS 13 -3.679 -6.408 5.825
91 3HZ LYS 13 3HZ LYS 13 -4.094 -7.199 7.195
92 H LYS 14 H LYS 14 2.962 -10.593 4.168
93 HA LYS 14 HA LYS 14 2.589 -10.558 1.367
94 1HB LYS 14 1HB LYS 14 2.304 -12.945 1.436
95 2HB LYS 14 2HB LYS 14 3.681 -12.420 2.401
96 1HG LYS 14 1HG LYS 14 2.297 -12.684 4.484
97 2HG LYS 14 2HG LYS 14 0.969 -13.305 3.482
98 1HD LYS 14 1HD LYS 14 2.418 -15.159 2.702
99 2HD LYS 14 2HD LYS 14 3.752 -14.536 3.698
100 1HE LYS 14 1HE LYS 14 2.356 -14.821 5.735
101 2HE LYS 14 2HE LYS 14 1.032 -15.447 4.744
102 1HZ LYS 14 1HZ LYS 14 3.708 -16.719 5.011
103 2HZ LYS 14 2HZ LYS 14 2.337 -17.249 5.719
104 3HZ LYS 14 3HZ LYS 14 2.484 -17.299 4.095
105 H CYS 15 H CYS 15 0.963 -10.770 0.085
106 HA CYS 15 HA CYS 15 -1.876 -10.798 1.097
107 1HB CYS 15 1HB CYS 15 -2.346 -8.721 -0.155
108 2HB CYS 15 2HB CYS 15 -1.165 -8.498 1.108
109 H ARG 16 H ARG 16 -3.511 -10.881 -0.475
110 HA ARG 16 HA ARG 16 -2.878 -12.434 -2.978
111 1HB ARG 16 1HB ARG 16 -5.432 -12.256 -1.338
112 2HB ARG 16 2HB ARG 16 -5.126 -13.382 -2.646
113 1HG ARG 16 1HG ARG 16 -3.677 -14.725 -1.367
114 2HG ARG 16 2HG ARG 16 -3.365 -13.479 -0.159
115 1HD ARG 16 1HD ARG 16 -6.054 -14.827 -0.551
116 2HD ARG 16 2HD ARG 16 -4.849 -15.262 0.676
117 HE ARG 16 HE ARG 16 -5.428 -12.445 0.884
118 1HH1 ARG 16 1HH1 ARG 16 -6.739 -11.601 2.402
119 2HH1 ARG 16 2HH1 ARG 16 -7.780 -12.642 3.351
120 1HH2 ARG 16 1HH2 ARG 16 -6.920 -15.518 1.688
121 2HH2 ARG 16 2HH2 ARG 16 -7.905 -14.800 2.938
122 H ARG 17 H ARG 17 -4.181 -9.515 -1.846
123 HA ARG 17 HA ARG 17 -5.257 -8.489 -4.383
124 1HB ARG 17 1HB ARG 17 -7.547 -8.136 -3.406
125 2HB ARG 17 2HB ARG 17 -7.168 -9.850 -3.598
126 1HG ARG 17 1HG ARG 17 -6.567 -10.006 -1.197
127 2HG ARG 17 2HG ARG 17 -6.902 -8.286 -0.996
128 1HD ARG 17 1HD ARG 17 -9.284 -8.714 -1.531
129 2HD ARG 17 2HD ARG 17 -8.919 -10.453 -1.651
130 HE ARG 17 HE ARG 17 -7.809 -9.808 0.768
131 1HH1 ARG 17 1HH1 ARG 17 -11.114 -9.259 -0.255
132 2HH1 ARG 17 2HH1 ARG 17 -11.647 -9.131 1.403
133 1HH2 ARG 17 1HH2 ARG 17 -8.453 -9.604 2.664
134 2HH2 ARG 17 2HH2 ARG 17 -10.147 -9.350 3.082
135 H ASP 18 H ASP 18 -5.989 -6.180 -4.055
136 HA ASP 18 HA ASP 18 -4.085 -4.752 -2.401
137 1HB ASP 18 1HB ASP 18 -6.588 -3.679 -3.754
138 2HB ASP 18 2HB ASP 18 -5.227 -2.730 -3.136
139 H SER 19 H SER 19 -7.347 -5.827 -1.829
140 HA SER 19 HA SER 19 -8.022 -4.105 0.386
141 1HB SER 19 1HB SER 19 -9.124 -6.866 -0.225
142 2HB SER 19 2HB SER 19 -9.903 -5.596 0.724
143 HG SER 19 HG SER 19 -9.999 -4.325 -1.196
144 H ASP 20 H ASP 20 -5.942 -6.803 0.203
145 HA ASP 20 HA ASP 20 -6.056 -7.629 3.042
146 1HB ASP 20 1HB ASP 20 -4.165 -8.130 0.736
147 2HB ASP 20 2HB ASP 20 -3.731 -8.632 2.342
148 H CYS 21 H CYS 21 -4.574 -5.019 1.255
149 HA CYS 21 HA CYS 21 -2.469 -4.601 3.274
150 1HB CYS 21 1HB CYS 21 -3.056 -3.211 0.637
151 2HB CYS 21 2HB CYS 21 -1.639 -2.954 1.655
152 HA PRO 22 HA PRO 22 -4.651 -1.328 5.319
153 1HB PRO 22 1HB PRO 22 -2.662 0.004 6.605
154 2HB PRO 22 2HB PRO 22 -3.049 -1.704 6.971
155 1HG PRO 22 1HG PRO 22 -0.874 -0.648 5.130
156 2HG PRO 22 2HG PRO 22 -0.726 -1.855 6.448
157 1HD PRO 22 1HD PRO 22 -1.055 -2.569 3.824
158 2HD PRO 22 2HD PRO 22 -1.751 -3.528 5.166
159 H GLY 23 H GLY 23 -5.018 0.901 5.445
160 1HA GLY 23 1HA GLY 23 -3.972 3.191 4.805
161 2HA GLY 23 2HA GLY 23 -5.631 2.863 4.343
162 H ALA 24 H ALA 24 -2.428 3.448 3.246
163 HA ALA 24 HA ALA 24 -3.448 4.054 0.535
164 1HB ALA 24 1HB ALA 24 -2.376 5.806 1.899
165 2HB ALA 24 2HB ALA 24 -1.478 5.490 0.407
166 3HB ALA 24 3HB ALA 24 -0.877 4.850 1.951
167 H CYS 25 H CYS 25 -1.887 1.348 1.805
168 HA CYS 25 HA CYS 25 0.077 0.897 -0.287
169 1HB CYS 25 1HB CYS 25 -1.206 -0.847 1.826
170 2HB CYS 25 2HB CYS 25 -0.240 -1.539 0.547
171 H ILE 26 H ILE 26 0.020 -0.899 -1.637
172 HA ILE 26 HA ILE 26 -2.545 -1.922 -2.772
173 HB ILE 26 HB ILE 26 -1.392 -2.077 -4.968
174 1HG1 ILE 26 1HG1 ILE 26 0.699 -0.097 -4.045
175 2HG1 ILE 26 2HG1 ILE 26 0.990 -1.812 -3.854
176 1HG2 ILE 26 1HG2 ILE 26 -2.945 -0.220 -4.492
177 2HG2 ILE 26 2HG2 ILE 26 -1.588 0.788 -3.944
178 3HG2 ILE 26 3HG2 ILE 26 -1.684 0.258 -5.638
179 1HD1 ILE 26 1HD1 ILE 26 0.392 -0.493 -6.515
180 2HD1 ILE 26 2HD1 ILE 26 1.985 -1.000 -5.920
181 3HD1 ILE 26 3HD1 ILE 26 0.750 -2.229 -6.236
182 H CYS 27 H CYS 27 -2.093 -4.072 -3.844
183 HA CYS 27 HA CYS 27 0.033 -5.615 -2.397
184 1HB CYS 27 1HB CYS 27 -2.283 -6.393 -2.164
185 2HB CYS 27 2HB CYS 27 -2.398 -6.610 -3.917
186 H ARG 28 H ARG 28 1.858 -5.634 -3.516
187 HA ARG 28 HA ARG 28 2.081 -5.020 -6.357
188 1HB ARG 28 1HB ARG 28 4.051 -5.910 -4.194
189 2HB ARG 28 2HB ARG 28 4.520 -5.781 -5.879
190 1HG ARG 28 1HG ARG 28 5.206 -3.784 -5.067
191 2HG ARG 28 2HG ARG 28 3.666 -3.352 -5.801
192 1HD ARG 28 1HD ARG 28 2.613 -3.275 -3.587
193 2HD ARG 28 2HD ARG 28 4.089 -3.865 -2.825
194 HE ARG 28 HE ARG 28 3.556 -1.134 -3.777
195 1HH1 ARG 28 1HH1 ARG 28 5.013 0.426 -3.603
196 2HH1 ARG 28 2HH1 ARG 28 6.683 0.083 -3.187
197 1HH2 ARG 28 1HH2 ARG 28 6.186 -3.307 -2.926
198 2HH2 ARG 28 2HH2 ARG 28 7.321 -1.991 -2.806
199 H GLY 29 H GLY 29 3.355 -6.460 -7.747
200 1HA GLY 29 1HA GLY 29 3.238 -8.288 -9.205
201 2HA GLY 29 2HA GLY 29 1.830 -8.853 -8.307
202 H ASN 30 H ASN 30 4.686 -8.377 -6.473
203 HA ASN 30 HA ASN 30 5.642 -11.161 -6.558
204 1HB ASN 30 1HB ASN 30 7.325 -10.477 -5.066
205 2HB ASN 30 2HB ASN 30 7.134 -9.139 -6.193
206 2HD2 ASN 30 2HD2 ASN 30 8.287 -9.113 -3.456
207 1HD2 ASN 30 1HD2 ASN 30 7.280 -7.966 -2.580
208 H GLY 31 H GLY 31 2.966 -9.738 -5.067
209 1HA GLY 31 1HA GLY 31 2.532 -12.102 -3.363
210 2HA GLY 31 2HA GLY 31 1.381 -10.823 -3.737
211 H TYR 32 H TYR 32 3.312 -8.679 -2.850
212 HA TYR 32 HA TYR 32 2.744 -8.849 0.074
213 1HB TYR 32 1HB TYR 32 5.363 -8.228 -1.289
214 2HB TYR 32 2HB TYR 32 5.013 -7.571 0.289
215 HD1 TYR 32 HD1 TYR 32 5.050 -8.915 2.272
216 HD2 TYR 32 HD2 TYR 32 5.705 -10.710 -1.580
217 HE1 TYR 32 HE1 TYR 32 6.086 -10.870 3.387
218 HE2 TYR 32 HE2 TYR 32 6.663 -12.726 -0.473
219 HH TYR 32 HH TYR 32 7.258 -13.705 1.509
220 H CYS 33 H CYS 33 2.700 -6.741 1.156
221 HA CYS 33 HA CYS 33 1.311 -4.789 -0.502
222 1HB CYS 33 1HB CYS 33 2.024 -4.859 2.442
223 2HB CYS 33 2HB CYS 33 1.029 -3.614 1.694
224 H GLY 34 H GLY 34 1.761 -2.517 -0.498
225 1HA GLY 34 1HA GLY 34 4.492 -1.660 -0.853
226 2HA GLY 34 2HA GLY 34 3.873 -1.151 0.725
No H/Q in entry = 226
Start of MODEL 28
1 H SER 1 H SER 1 4.477 0.484 -1.026
2 HA SER 1 HA SER 1 2.061 1.992 -1.066
3 1HB SER 1 1HB SER 1 4.251 2.967 -0.598
4 2HB SER 1 2HB SER 1 4.749 2.703 -2.285
5 HG SER 1 HG SER 1 3.905 4.846 -1.831
6 H GLY 2 H GLY 2 0.651 2.565 -2.647
7 1HA GLY 2 1HA GLY 2 -0.472 2.142 -4.752
8 2HA GLY 2 2HA GLY 2 1.041 1.634 -5.459
9 H SER 3 H SER 3 2.275 4.128 -4.038
10 HA SER 3 HA SER 3 2.971 6.199 -4.569
11 1HB SER 3 1HB SER 3 1.922 5.675 -7.366
12 2HB SER 3 2HB SER 3 3.030 6.964 -6.882
13 HG SER 3 HG SER 3 3.518 4.167 -6.610
14 H ASP 4 H ASP 4 -0.064 5.689 -3.938
15 HA ASP 4 HA ASP 4 -1.483 8.032 -4.810
16 1HB ASP 4 1HB ASP 4 -2.479 5.958 -4.009
17 2HB ASP 4 2HB ASP 4 -1.860 6.163 -2.416
18 H GLY 5 H GLY 5 0.831 7.544 -2.244
19 1HA GLY 5 1HA GLY 5 0.964 10.442 -1.688
20 2HA GLY 5 2HA GLY 5 2.123 9.210 -1.210
21 H GLY 6 H GLY 6 -0.914 8.135 -0.325
22 1HA GLY 6 1HA GLY 6 -2.151 8.142 1.664
23 2HA GLY 6 2HA GLY 6 -1.116 9.406 2.323
24 H VAL 7 H VAL 7 -1.946 7.326 3.858
25 HA VAL 7 HA VAL 7 0.511 6.406 5.020
26 HB VAL 7 HB VAL 7 -2.344 5.600 5.689
27 1HG1 VAL 7 1HG1 VAL 7 0.243 5.336 7.298
28 2HG1 VAL 7 2HG1 VAL 7 -1.391 5.048 7.925
29 3HG1 VAL 7 3HG1 VAL 7 -0.746 3.997 6.670
30 1HG2 VAL 7 1HG2 VAL 7 -0.524 7.746 6.877
31 2HG2 VAL 7 2HG2 VAL 7 -2.002 8.035 5.934
32 3HG2 VAL 7 3HG2 VAL 7 -2.112 7.264 7.516
33 H CYS 8 H CYS 8 1.709 5.024 3.842
34 HA CYS 8 HA CYS 8 0.716 2.253 3.862
35 1HB CYS 8 1HB CYS 8 0.561 2.801 1.515
36 2HB CYS 8 2HB CYS 8 2.255 3.310 1.466
37 HA PRO 9 HA PRO 9 4.643 2.443 6.178
38 1HB PRO 9 1HB PRO 9 4.187 0.409 7.935
39 2HB PRO 9 2HB PRO 9 3.401 2.008 8.065
40 1HG PRO 9 1HG PRO 9 2.274 -0.511 6.800
41 2HG PRO 9 2HG PRO 9 1.498 0.558 8.012
42 1HD PRO 9 1HD PRO 9 1.018 0.771 5.342
43 2HD PRO 9 2HD PRO 9 1.071 2.217 6.397
44 H LYS 10 H LYS 10 3.650 0.202 3.906
45 HA LYS 10 HA LYS 10 4.606 -1.547 2.743
46 1HB LYS 10 1HB LYS 10 7.113 0.069 3.355
47 2HB LYS 10 2HB LYS 10 6.954 -1.143 2.080
48 1HG LYS 10 1HG LYS 10 5.278 0.212 0.922
49 2HG LYS 10 2HG LYS 10 5.286 1.401 2.222
50 1HD LYS 10 1HD LYS 10 6.594 2.256 0.396
51 2HD LYS 10 2HD LYS 10 7.658 1.924 1.767
52 1HE LYS 10 1HE LYS 10 8.351 -0.222 0.705
53 2HE LYS 10 2HE LYS 10 7.276 0.107 -0.661
54 1HZ LYS 10 1HZ LYS 10 9.601 1.784 0.127
55 2HZ LYS 10 2HZ LYS 10 9.562 0.768 -1.147
56 3HZ LYS 10 3HZ LYS 10 8.615 2.096 -1.139
57 H ILE 11 H ILE 11 3.984 -2.586 4.969
58 HA ILE 11 HA ILE 11 6.179 -3.971 6.320
59 HB ILE 11 HB ILE 11 4.542 -5.008 7.684
60 1HG1 ILE 11 1HG1 ILE 11 2.769 -5.640 6.224
61 2HG1 ILE 11 2HG1 ILE 11 2.147 -4.713 7.566
62 1HG2 ILE 11 1HG2 ILE 11 5.185 -2.739 8.248
63 2HG2 ILE 11 2HG2 ILE 11 3.828 -2.084 7.321
64 3HG2 ILE 11 3HG2 ILE 11 3.523 -3.075 8.757
65 1HD1 ILE 11 1HD1 ILE 11 1.913 -2.723 6.042
66 2HD1 ILE 11 2HD1 ILE 11 2.415 -3.765 4.685
67 3HD1 ILE 11 3HD1 ILE 11 0.936 -4.125 5.578
68 H LEU 12 H LEU 12 6.300 -6.218 6.494
69 HA LEU 12 HA LEU 12 6.274 -7.618 3.926
70 1HB LEU 12 1HB LEU 12 7.162 -8.594 6.663
71 2HB LEU 12 2HB LEU 12 7.483 -9.391 5.120
72 HG LEU 12 HG LEU 12 8.556 -6.652 5.936
73 1HD1 LEU 12 1HD1 LEU 12 9.555 -8.522 7.194
74 2HD1 LEU 12 2HD1 LEU 12 9.941 -9.352 5.670
75 3HD1 LEU 12 3HD1 LEU 12 10.718 -7.803 6.069
76 1HD2 LEU 12 1HD2 LEU 12 9.108 -8.365 3.471
77 2HD2 LEU 12 2HD2 LEU 12 8.312 -6.774 3.495
78 3HD2 LEU 12 3HD2 LEU 12 10.016 -6.909 3.934
79 H LYS 13 H LYS 13 3.620 -7.109 4.960
80 HA LYS 13 HA LYS 13 2.437 -9.736 5.622
81 1HB LYS 13 1HB LYS 13 1.395 -7.554 6.345
82 2HB LYS 13 2HB LYS 13 1.022 -7.223 4.643
83 1HG LYS 13 1HG LYS 13 -0.161 -9.538 4.649
84 2HG LYS 13 2HG LYS 13 0.015 -9.507 6.403
85 1HD LYS 13 1HD LYS 13 -1.484 -7.500 4.672
86 2HD LYS 13 2HD LYS 13 -2.206 -8.782 5.654
87 1HE LYS 13 1HE LYS 13 -1.143 -7.674 7.699
88 2HE LYS 13 2HE LYS 13 -0.704 -6.324 6.642
89 1HZ LYS 13 1HZ LYS 13 -3.148 -6.220 6.068
90 2HZ LYS 13 2HZ LYS 13 -3.444 -7.271 7.273
91 3HZ LYS 13 3HZ LYS 13 -2.810 -5.809 7.630
92 H LYS 14 H LYS 14 2.511 -11.286 4.113
93 HA LYS 14 HA LYS 14 2.497 -10.815 1.245
94 1HB LYS 14 1HB LYS 14 2.280 -13.186 0.987
95 2HB LYS 14 2HB LYS 14 3.550 -12.808 2.151
96 1HG LYS 14 1HG LYS 14 1.857 -13.293 4.008
97 2HG LYS 14 2HG LYS 14 0.772 -13.911 2.758
98 1HD LYS 14 1HD LYS 14 3.578 -14.950 3.363
99 2HD LYS 14 2HD LYS 14 2.065 -15.687 3.910
100 1HE LYS 14 1HE LYS 14 1.376 -16.039 1.546
101 2HE LYS 14 2HE LYS 14 2.904 -15.335 0.997
102 1HZ LYS 14 1HZ LYS 14 2.664 -17.792 2.653
103 2HZ LYS 14 2HZ LYS 14 3.024 -17.760 1.062
104 3HZ LYS 14 3HZ LYS 14 4.073 -17.138 2.146
105 H CYS 15 H CYS 15 0.846 -10.967 -0.121
106 HA CYS 15 HA CYS 15 -1.986 -11.071 0.910
107 1HB CYS 15 1HB CYS 15 -2.460 -8.913 -0.212
108 2HB CYS 15 2HB CYS 15 -1.292 -8.776 1.064
109 H ARG 16 H ARG 16 -3.607 -10.824 -0.794
110 HA ARG 16 HA ARG 16 -2.857 -11.744 -3.536
111 1HB ARG 16 1HB ARG 16 -5.005 -13.039 -1.802
112 2HB ARG 16 2HB ARG 16 -4.818 -13.328 -3.529
113 1HG ARG 16 1HG ARG 16 -2.729 -14.019 -1.414
114 2HG ARG 16 2HG ARG 16 -3.866 -15.139 -2.157
115 1HD ARG 16 1HD ARG 16 -2.897 -14.718 -4.381
116 2HD ARG 16 2HD ARG 16 -1.746 -13.573 -3.700
117 HE ARG 16 HE ARG 16 -1.709 -16.520 -3.448
118 1HH1 ARG 16 1HH1 ARG 16 0.171 -17.501 -2.915
119 2HH1 ARG 16 2HH1 ARG 16 1.497 -16.569 -2.284
120 1HH2 ARG 16 1HH2 ARG 16 -0.149 -13.559 -2.345
121 2HH2 ARG 16 2HH2 ARG 16 1.335 -14.402 -1.995
122 H ARG 17 H ARG 17 -4.656 -9.642 -1.570
123 HA ARG 17 HA ARG 17 -5.734 -8.363 -4.028
124 1HB ARG 17 1HB ARG 17 -7.500 -9.807 -2.596
125 2HB ARG 17 2HB ARG 17 -7.464 -8.350 -1.578
126 1HG ARG 17 1HG ARG 17 -8.245 -6.968 -3.394
127 2HG ARG 17 2HG ARG 17 -8.095 -8.309 -4.552
128 1HD ARG 17 1HD ARG 17 -9.847 -9.552 -3.441
129 2HD ARG 17 2HD ARG 17 -9.904 -8.415 -2.099
130 HE ARG 17 HE ARG 17 -11.006 -8.032 -4.826
131 1HH1 ARG 17 1HH1 ARG 17 -12.425 -6.397 -5.190
132 2HH1 ARG 17 2HH1 ARG 17 -12.676 -5.171 -3.979
133 1HH2 ARG 17 1HH2 ARG 17 -10.464 -6.483 -1.704
134 2HH2 ARG 17 2HH2 ARG 17 -11.612 -5.218 -2.076
135 H ASP 18 H ASP 18 -6.548 -6.179 -3.421
136 HA ASP 18 HA ASP 18 -4.318 -4.716 -2.124
137 1HB ASP 18 1HB ASP 18 -6.908 -3.684 -3.292
138 2HB ASP 18 2HB ASP 18 -5.488 -2.698 -2.774
139 H SER 19 H SER 19 -7.550 -5.710 -1.231
140 HA SER 19 HA SER 19 -7.921 -4.003 1.071
141 1HB SER 19 1HB SER 19 -9.753 -5.705 1.556
142 2HB SER 19 2HB SER 19 -9.855 -4.822 0.031
143 HG SER 19 HG SER 19 -9.067 -7.516 0.449
144 H ASP 20 H ASP 20 -5.938 -6.782 0.559
145 HA ASP 20 HA ASP 20 -5.775 -7.706 3.325
146 1HB ASP 20 1HB ASP 20 -3.877 -7.790 0.960
147 2HB ASP 20 2HB ASP 20 -3.494 -8.571 2.454
148 H CYS 21 H CYS 21 -4.546 -4.886 1.657
149 HA CYS 21 HA CYS 21 -2.376 -4.504 3.629
150 1HB CYS 21 1HB CYS 21 -2.851 -3.220 0.924
151 2HB CYS 21 2HB CYS 21 -1.387 -3.105 1.908
152 HA PRO 22 HA PRO 22 -3.931 -0.745 5.499
153 1HB PRO 22 1HB PRO 22 -1.275 0.481 4.746
154 2HB PRO 22 2HB PRO 22 -2.133 0.538 6.317
155 1HG PRO 22 1HG PRO 22 -0.080 -1.191 5.972
156 2HG PRO 22 2HG PRO 22 -1.575 -1.735 6.794
157 1HD PRO 22 1HD PRO 22 -0.724 -2.208 3.933
158 2HD PRO 22 2HD PRO 22 -1.450 -3.337 5.110
159 H GLY 23 H GLY 23 -4.261 1.576 5.186
160 1HA GLY 23 1HA GLY 23 -4.858 3.497 4.005
161 2HA GLY 23 2HA GLY 23 -5.980 2.302 3.378
162 H ALA 24 H ALA 24 -2.681 3.561 2.707
163 HA ALA 24 HA ALA 24 -3.444 4.040 -0.125
164 1HB ALA 24 1HB ALA 24 -2.481 5.840 1.277
165 2HB ALA 24 2HB ALA 24 -1.501 5.489 -0.157
166 3HB ALA 24 3HB ALA 24 -0.975 4.890 1.424
167 H CYS 25 H CYS 25 -2.145 1.398 1.404
168 HA CYS 25 HA CYS 25 0.005 0.784 -0.494
169 1HB CYS 25 1HB CYS 25 -1.472 -1.019 1.441
170 2HB CYS 25 2HB CYS 25 -0.003 -1.404 0.557
171 H ILE 26 H ILE 26 -0.110 -1.247 -1.649
172 HA ILE 26 HA ILE 26 -2.708 -2.275 -2.631
173 HB ILE 26 HB ILE 26 -1.714 -2.450 -4.931
174 1HG1 ILE 26 1HG1 ILE 26 0.338 -0.391 -4.028
175 2HG1 ILE 26 2HG1 ILE 26 0.708 -2.105 -4.118
176 1HG2 ILE 26 1HG2 ILE 26 -3.351 -0.681 -4.306
177 2HG2 ILE 26 2HG2 ILE 26 -2.005 0.426 -3.970
178 3HG2 ILE 26 3HG2 ILE 26 -2.277 -0.185 -5.614
179 1HD1 ILE 26 1HD1 ILE 26 -0.211 -0.454 -6.495
180 2HD1 ILE 26 2HD1 ILE 26 1.460 -0.862 -6.109
181 3HD1 ILE 26 3HD1 ILE 26 0.329 -2.173 -6.498
182 H CYS 27 H CYS 27 -2.302 -4.425 -3.736
183 HA CYS 27 HA CYS 27 -0.125 -5.931 -2.382
184 1HB CYS 27 1HB CYS 27 -2.449 -6.787 -2.395
185 2HB CYS 27 2HB CYS 27 -2.348 -7.002 -4.151
186 H ARG 28 H ARG 28 1.742 -5.703 -3.367
187 HA ARG 28 HA ARG 28 2.098 -4.733 -6.076
188 1HB ARG 28 1HB ARG 28 4.049 -5.905 -4.031
189 2HB ARG 28 2HB ARG 28 4.550 -5.088 -5.497
190 1HG ARG 28 1HG ARG 28 2.955 -3.781 -3.241
191 2HG ARG 28 2HG ARG 28 4.702 -3.707 -3.409
192 1HD ARG 28 1HD ARG 28 2.721 -2.655 -5.453
193 2HD ARG 28 2HD ARG 28 3.538 -1.672 -4.244
194 HE ARG 28 HE ARG 28 5.705 -2.274 -5.293
195 1HH1 ARG 28 1HH1 ARG 28 6.863 -2.182 -7.146
196 2HH1 ARG 28 2HH1 ARG 28 6.052 -2.262 -8.685
197 1HH2 ARG 28 1HH2 ARG 28 2.897 -2.522 -7.392
198 2HH2 ARG 28 2HH2 ARG 28 3.887 -2.468 -8.824
199 H GLY 29 H GLY 29 3.722 -5.881 -7.473
200 1HA GLY 29 1HA GLY 29 3.977 -7.527 -9.121
201 2HA GLY 29 2HA GLY 29 2.501 -8.281 -8.521
202 H ASN 30 H ASN 30 5.011 -7.848 -6.244
203 HA ASN 30 HA ASN 30 6.204 -10.536 -6.482
204 1HB ASN 30 1HB ASN 30 7.549 -9.868 -4.557
205 2HB ASN 30 2HB ASN 30 7.593 -8.650 -5.827
206 2HD2 ASN 30 2HD2 ASN 30 8.387 -7.193 -4.084
207 1HD2 ASN 30 1HD2 ASN 30 7.174 -6.474 -3.029
208 H GLY 31 H GLY 31 3.277 -9.472 -5.161
209 1HA GLY 31 1HA GLY 31 2.892 -12.027 -3.722
210 2HA GLY 31 2HA GLY 31 1.663 -10.843 -4.140
211 H TYR 32 H TYR 32 3.599 -8.741 -2.805
212 HA TYR 32 HA TYR 32 2.576 -9.115 -0.017
213 1HB TYR 32 1HB TYR 32 5.313 -8.286 -0.979
214 2HB TYR 32 2HB TYR 32 4.745 -7.874 0.620
215 HD1 TYR 32 HD1 TYR 32 5.516 -10.811 -1.601
216 HD2 TYR 32 HD2 TYR 32 4.983 -9.339 2.403
217 HE1 TYR 32 HE1 TYR 32 6.486 -12.924 -0.692
218 HE2 TYR 32 HE2 TYR 32 6.052 -11.392 3.320
219 HH TYR 32 HH TYR 32 6.967 -13.436 2.822
220 H CYS 33 H CYS 33 2.378 -7.136 1.208
221 HA CYS 33 HA CYS 33 1.104 -5.034 -0.264
222 1HB CYS 33 1HB CYS 33 2.044 -5.234 2.618
223 2HB CYS 33 2HB CYS 33 1.052 -3.916 1.992
224 H GLY 34 H GLY 34 1.701 -2.934 -0.757
225 1HA GLY 34 1HA GLY 34 4.331 -2.190 -1.380
226 2HA GLY 34 2HA GLY 34 4.049 -1.619 0.273
No H/Q in entry = 226
Start of MODEL 29
1 H SER 1 H SER 1 4.436 0.484 -1.133
2 HA SER 1 HA SER 1 2.049 1.934 -1.044
3 1HB SER 1 1HB SER 1 4.647 2.644 -2.443
4 2HB SER 1 2HB SER 1 3.322 3.777 -2.108
5 HG SER 1 HG SER 1 4.815 3.885 -0.436
6 H GLY 2 H GLY 2 0.536 2.630 -2.460
7 1HA GLY 2 1HA GLY 2 -0.437 1.641 -4.712
8 2HA GLY 2 2HA GLY 2 0.953 2.435 -5.419
9 H SER 3 H SER 3 -0.156 4.295 -2.803
10 HA SER 3 HA SER 3 -1.485 6.269 -4.553
11 1HB SER 3 1HB SER 3 -3.233 4.663 -3.620
12 2HB SER 3 2HB SER 3 -2.782 5.225 -2.006
13 HG SER 3 HG SER 3 -4.049 6.623 -4.120
14 H ASP 4 H ASP 4 -2.175 8.139 -3.049
15 HA ASP 4 HA ASP 4 -0.149 8.780 -0.929
16 1HB ASP 4 1HB ASP 4 0.270 9.972 -3.093
17 2HB ASP 4 2HB ASP 4 -1.323 10.711 -2.961
18 H GLY 5 H GLY 5 -3.370 8.170 -1.515
19 1HA GLY 5 1HA GLY 5 -5.403 8.783 -0.622
20 2HA GLY 5 2HA GLY 5 -4.671 10.200 0.121
21 H GLY 6 H GLY 6 -2.663 8.531 1.580
22 1HA GLY 6 1HA GLY 6 -3.913 6.461 3.134
23 2HA GLY 6 2HA GLY 6 -3.858 7.968 4.060
24 H VAL 7 H VAL 7 -2.487 5.475 4.606
25 HA VAL 7 HA VAL 7 0.402 6.222 4.335
26 HB VAL 7 HB VAL 7 -0.465 6.627 6.597
27 1HG1 VAL 7 1HG1 VAL 7 -2.206 4.872 6.753
28 2HG1 VAL 7 2HG1 VAL 7 -0.945 3.622 6.788
29 3HG1 VAL 7 3HG1 VAL 7 -1.070 4.803 8.103
30 1HG2 VAL 7 1HG2 VAL 7 1.910 5.982 6.245
31 2HG2 VAL 7 2HG2 VAL 7 1.281 5.531 7.834
32 3HG2 VAL 7 3HG2 VAL 7 1.481 4.287 6.593
33 H CYS 8 H CYS 8 1.887 4.593 3.993
34 HA CYS 8 HA CYS 8 0.946 1.812 3.933
35 1HB CYS 8 1HB CYS 8 0.790 2.516 1.601
36 2HB CYS 8 2HB CYS 8 2.510 2.928 1.586
37 HA PRO 9 HA PRO 9 4.706 1.893 6.496
38 1HB PRO 9 1HB PRO 9 3.804 -0.972 6.812
39 2HB PRO 9 2HB PRO 9 4.423 0.157 8.056
40 1HG PRO 9 1HG PRO 9 1.773 -0.305 7.853
41 2HG PRO 9 2HG PRO 9 2.361 1.379 8.060
42 1HD PRO 9 1HD PRO 9 1.533 -0.016 5.500
43 2HD PRO 9 2HD PRO 9 1.094 1.615 6.097
44 H LYS 10 H LYS 10 4.101 -0.127 3.747
45 HA LYS 10 HA LYS 10 5.329 -1.540 2.396
46 1HB LYS 10 1HB LYS 10 7.495 0.455 3.119
47 2HB LYS 10 2HB LYS 10 7.655 -0.772 1.860
48 1HG LYS 10 1HG LYS 10 5.818 0.149 0.588
49 2HG LYS 10 2HG LYS 10 5.457 1.344 1.838
50 1HD LYS 10 1HD LYS 10 8.148 1.193 0.407
51 2HD LYS 10 2HD LYS 10 6.797 2.177 -0.167
52 1HE LYS 10 1HE LYS 10 6.733 3.386 2.004
53 2HE LYS 10 2HE LYS 10 8.106 2.431 2.577
54 1HZ LYS 10 1HZ LYS 10 8.175 4.266 0.241
55 2HZ LYS 10 2HZ LYS 10 8.831 4.572 1.702
56 3HZ LYS 10 3HZ LYS 10 9.440 3.380 0.771
57 H ILE 11 H ILE 11 4.927 -3.212 3.876
58 HA ILE 11 HA ILE 11 7.335 -4.350 5.248
59 HB ILE 11 HB ILE 11 5.744 -5.238 6.978
60 1HG1 ILE 11 1HG1 ILE 11 3.764 -3.198 5.859
61 2HG1 ILE 11 2HG1 ILE 11 3.645 -4.935 5.599
62 1HG2 ILE 11 1HG2 ILE 11 7.226 -3.278 7.332
63 2HG2 ILE 11 2HG2 ILE 11 5.911 -2.202 6.826
64 3HG2 ILE 11 3HG2 ILE 11 5.748 -3.191 8.290
65 1HD1 ILE 11 1HD1 ILE 11 3.457 -5.293 8.052
66 2HD1 ILE 11 2HD1 ILE 11 3.482 -3.527 8.290
67 3HD1 ILE 11 3HD1 ILE 11 2.160 -4.276 7.384
68 H LEU 12 H LEU 12 7.262 -6.619 5.648
69 HA LEU 12 HA LEU 12 6.614 -8.187 3.356
70 1HB LEU 12 1HB LEU 12 7.782 -9.916 4.362
71 2HB LEU 12 2HB LEU 12 8.624 -8.442 4.795
72 HG LEU 12 HG LEU 12 6.817 -10.099 6.629
73 1HD1 LEU 12 1HD1 LEU 12 8.985 -11.137 6.080
74 2HD1 LEU 12 2HD1 LEU 12 9.827 -9.666 6.614
75 3HD1 LEU 12 3HD1 LEU 12 8.905 -10.644 7.778
76 1HD2 LEU 12 1HD2 LEU 12 8.454 -7.607 7.263
77 2HD2 LEU 12 2HD2 LEU 12 6.678 -7.786 7.382
78 3HD2 LEU 12 3HD2 LEU 12 7.726 -8.690 8.467
79 H LYS 13 H LYS 13 4.222 -7.134 4.735
80 HA LYS 13 HA LYS 13 2.598 -9.405 5.644
81 1HB LYS 13 1HB LYS 13 2.114 -7.074 6.292
82 2HB LYS 13 2HB LYS 13 1.814 -6.644 4.604
83 1HG LYS 13 1HG LYS 13 -0.078 -8.240 4.520
84 2HG LYS 13 2HG LYS 13 0.231 -8.729 6.185
85 1HD LYS 13 1HD LYS 13 -0.528 -5.916 5.268
86 2HD LYS 13 2HD LYS 13 -1.663 -7.099 5.905
87 1HE LYS 13 1HE LYS 13 0.699 -5.964 7.468
88 2HE LYS 13 2HE LYS 13 -0.951 -5.353 7.552
89 1HZ LYS 13 1HZ LYS 13 -1.661 -7.539 8.365
90 2HZ LYS 13 2HZ LYS 13 -0.126 -8.102 8.324
91 3HZ LYS 13 3HZ LYS 13 -0.531 -6.902 9.351
92 H LYS 14 H LYS 14 2.456 -11.067 4.233
93 HA LYS 14 HA LYS 14 2.351 -10.927 1.359
94 1HB LYS 14 1HB LYS 14 1.428 -13.072 3.319
95 2HB LYS 14 2HB LYS 14 1.389 -13.244 1.555
96 1HG LYS 14 1HG LYS 14 3.802 -12.928 1.408
97 2HG LYS 14 2HG LYS 14 3.911 -12.695 3.169
98 1HD LYS 14 1HD LYS 14 3.081 -15.000 3.525
99 2HD LYS 14 2HD LYS 14 2.967 -15.232 1.765
100 1HE LYS 14 1HE LYS 14 5.407 -14.794 1.555
101 2HE LYS 14 2HE LYS 14 5.520 -14.562 3.302
102 1HZ LYS 14 1HZ LYS 14 4.707 -17.094 1.974
103 2HZ LYS 14 2HZ LYS 14 6.157 -16.817 2.665
104 3HZ LYS 14 3HZ LYS 14 4.815 -16.880 3.590
105 H CYS 15 H CYS 15 0.745 -10.927 0.003
106 HA CYS 15 HA CYS 15 -2.121 -10.857 0.931
107 1HB CYS 15 1HB CYS 15 -2.537 -8.827 -0.394
108 2HB CYS 15 2HB CYS 15 -1.365 -8.555 0.866
109 H ARG 16 H ARG 16 -3.690 -10.929 -0.753
110 HA ARG 16 HA ARG 16 -2.899 -12.107 -3.412
111 1HB ARG 16 1HB ARG 16 -5.367 -12.732 -1.743
112 2HB ARG 16 2HB ARG 16 -5.076 -13.322 -3.370
113 1HG ARG 16 1HG ARG 16 -3.413 -14.064 -0.920
114 2HG ARG 16 2HG ARG 16 -4.731 -15.000 -1.604
115 1HD ARG 16 1HD ARG 16 -2.835 -16.055 -2.432
116 2HD ARG 16 2HD ARG 16 -3.411 -15.088 -3.800
117 HE ARG 16 HE ARG 16 -1.565 -13.487 -2.388
118 1HH1 ARG 16 1HH1 ARG 16 0.461 -13.192 -2.763
119 2HH1 ARG 16 2HH1 ARG 16 1.407 -14.349 -3.692
120 1HH2 ARG 16 1HH2 ARG 16 -1.273 -16.473 -4.180
121 2HH2 ARG 16 2HH2 ARG 16 0.423 -16.190 -4.492
122 H ARG 17 H ARG 17 -4.701 -9.680 -1.687
123 HA ARG 17 HA ARG 17 -5.345 -8.301 -4.222
124 1HB ARG 17 1HB ARG 17 -7.702 -7.842 -3.500
125 2HB ARG 17 2HB ARG 17 -7.422 -9.493 -4.007
126 1HG ARG 17 1HG ARG 17 -7.235 -8.818 -1.061
127 2HG ARG 17 2HG ARG 17 -8.821 -8.885 -1.815
128 1HD ARG 17 1HD ARG 17 -8.845 -11.122 -2.007
129 2HD ARG 17 2HD ARG 17 -7.156 -11.230 -2.501
130 HE ARG 17 HE ARG 17 -6.622 -10.750 -0.026
131 1HH1 ARG 17 1HH1 ARG 17 -6.748 -11.690 1.849
132 2HH1 ARG 17 2HH1 ARG 17 -7.755 -13.112 2.108
133 1HH2 ARG 17 1HH2 ARG 17 -9.211 -12.902 -1.020
134 2HH2 ARG 17 2HH2 ARG 17 -9.164 -13.756 0.501
135 H ASP 18 H ASP 18 -6.293 -6.074 -3.725
136 HA ASP 18 HA ASP 18 -4.370 -4.723 -2.050
137 1HB ASP 18 1HB ASP 18 -6.938 -3.603 -3.227
138 2HB ASP 18 2HB ASP 18 -5.539 -2.680 -2.661
139 H SER 19 H SER 19 -7.518 -5.970 -1.390
140 HA SER 19 HA SER 19 -8.269 -4.423 0.916
141 1HB SER 19 1HB SER 19 -9.010 -7.296 0.239
142 2HB SER 19 2HB SER 19 -9.872 -6.207 1.343
143 HG SER 19 HG SER 19 -10.860 -6.259 -0.719
144 H ASP 20 H ASP 20 -5.908 -6.865 0.517
145 HA ASP 20 HA ASP 20 -5.722 -7.832 3.287
146 1HB ASP 20 1HB ASP 20 -3.897 -7.893 0.876
147 2HB ASP 20 2HB ASP 20 -3.443 -8.676 2.343
148 H CYS 21 H CYS 21 -4.754 -4.888 1.756
149 HA CYS 21 HA CYS 21 -2.442 -4.542 3.594
150 1HB CYS 21 1HB CYS 21 -2.986 -3.298 0.887
151 2HB CYS 21 2HB CYS 21 -1.509 -3.151 1.845
152 HA PRO 22 HA PRO 22 -3.907 -0.747 5.473
153 1HB PRO 22 1HB PRO 22 -1.172 0.321 4.737
154 2HB PRO 22 2HB PRO 22 -2.056 0.469 6.287
155 1HG PRO 22 1HG PRO 22 -0.122 -1.401 6.045
156 2HG PRO 22 2HG PRO 22 -1.680 -1.835 6.812
157 1HD PRO 22 1HD PRO 22 -0.764 -2.389 3.981
158 2HD PRO 22 2HD PRO 22 -1.588 -3.461 5.149
159 H GLY 23 H GLY 23 -4.062 1.609 5.178
160 1HA GLY 23 1HA GLY 23 -4.633 3.543 4.028
161 2HA GLY 23 2HA GLY 23 -5.787 2.391 3.373
162 H ALA 24 H ALA 24 -2.427 3.480 2.754
163 HA ALA 24 HA ALA 24 -3.135 4.049 -0.089
164 1HB ALA 24 1HB ALA 24 -2.181 5.884 1.175
165 2HB ALA 24 2HB ALA 24 -1.066 5.384 -0.091
166 3HB ALA 24 3HB ALA 24 -0.744 4.908 1.583
167 H CYS 25 H CYS 25 -2.019 1.359 1.426
168 HA CYS 25 HA CYS 25 0.109 0.644 -0.470
169 1HB CYS 25 1HB CYS 25 -1.503 -1.087 1.422
170 2HB CYS 25 2HB CYS 25 -0.090 -1.586 0.504
171 H ILE 26 H ILE 26 -0.128 -1.284 -1.708
172 HA ILE 26 HA ILE 26 -2.764 -2.235 -2.653
173 HB ILE 26 HB ILE 26 -1.778 -2.424 -4.970
174 1HG1 ILE 26 1HG1 ILE 26 0.274 -0.372 -4.075
175 2HG1 ILE 26 2HG1 ILE 26 0.633 -2.085 -4.183
176 1HG2 ILE 26 1HG2 ILE 26 -3.443 -0.712 -4.375
177 2HG2 ILE 26 2HG2 ILE 26 -2.154 0.420 -3.939
178 3HG2 ILE 26 3HG2 ILE 26 -2.341 -0.125 -5.622
179 1HD1 ILE 26 1HD1 ILE 26 -0.301 -0.434 -6.556
180 2HD1 ILE 26 2HD1 ILE 26 1.375 -0.821 -6.172
181 3HD1 ILE 26 3HD1 ILE 26 0.251 -2.140 -6.553
182 H CYS 27 H CYS 27 -2.437 -4.379 -3.731
183 HA CYS 27 HA CYS 27 -0.287 -5.942 -2.398
184 1HB CYS 27 1HB CYS 27 -2.609 -6.771 -2.463
185 2HB CYS 27 2HB CYS 27 -2.523 -6.899 -4.229
186 H ARG 28 H ARG 28 1.595 -5.637 -3.325
187 HA ARG 28 HA ARG 28 2.022 -4.655 -6.020
188 1HB ARG 28 1HB ARG 28 3.958 -5.797 -3.952
189 2HB ARG 28 2HB ARG 28 4.448 -4.916 -5.384
190 1HG ARG 28 1HG ARG 28 2.734 -3.721 -3.160
191 2HG ARG 28 2HG ARG 28 4.488 -3.644 -3.194
192 1HD ARG 28 1HD ARG 28 2.720 -2.514 -5.389
193 2HD ARG 28 2HD ARG 28 3.315 -1.579 -4.009
194 HE ARG 28 HE ARG 28 5.494 -2.889 -5.372
195 1HH1 ARG 28 1HH1 ARG 28 6.808 -1.902 -6.829
196 2HH1 ARG 28 2HH1 ARG 28 6.448 -0.283 -7.358
197 1HH2 ARG 28 1HH2 ARG 28 3.617 0.083 -5.475
198 2HH2 ARG 28 2HH2 ARG 28 4.663 0.767 -6.687
199 H GLY 29 H GLY 29 3.727 -5.768 -7.356
200 1HA GLY 29 1HA GLY 29 4.024 -7.376 -9.029
201 2HA GLY 29 2HA GLY 29 2.530 -8.138 -8.487
202 H ASN 30 H ASN 30 4.967 -7.776 -6.120
203 HA ASN 30 HA ASN 30 6.189 -10.439 -6.440
204 1HB ASN 30 1HB ASN 30 7.540 -9.856 -4.548
205 2HB ASN 30 2HB ASN 30 7.490 -8.482 -5.649
206 2HD2 ASN 30 2HD2 ASN 30 8.388 -7.843 -3.236
207 1HD2 ASN 30 1HD2 ASN 30 7.123 -7.063 -2.290
208 H GLY 31 H GLY 31 3.241 -9.425 -5.074
209 1HA GLY 31 1HA GLY 31 2.876 -12.030 -3.700
210 2HA GLY 31 2HA GLY 31 1.627 -10.867 -4.124
211 H TYR 32 H TYR 32 3.561 -8.766 -2.741
212 HA TYR 32 HA TYR 32 2.451 -9.153 0.010
213 1HB TYR 32 1HB TYR 32 5.151 -8.026 -0.715
214 2HB TYR 32 2HB TYR 32 4.496 -8.107 0.896
215 HD1 TYR 32 HD1 TYR 32 5.712 -10.246 -1.952
216 HD2 TYR 32 HD2 TYR 32 4.976 -9.925 2.263
217 HE1 TYR 32 HE1 TYR 32 6.995 -12.338 -1.580
218 HE2 TYR 32 HE2 TYR 32 6.351 -11.966 2.671
219 HH TYR 32 HH TYR 32 7.847 -13.795 -0.027
220 H CYS 33 H CYS 33 2.300 -7.108 1.225
221 HA CYS 33 HA CYS 33 1.044 -5.031 -0.319
222 1HB CYS 33 1HB CYS 33 1.942 -5.168 2.583
223 2HB CYS 33 2HB CYS 33 0.922 -3.893 1.919
224 H GLY 34 H GLY 34 1.684 -2.943 -0.806
225 1HA GLY 34 1HA GLY 34 4.350 -2.215 -1.350
226 2HA GLY 34 2HA GLY 34 3.978 -1.591 0.263
No H/Q in entry = 226
Start of MODEL 30
1 H SER 1 H SER 1 4.410 0.528 -1.224
2 HA SER 1 HA SER 1 2.024 1.959 -1.230
3 1HB SER 1 1HB SER 1 4.592 2.654 -2.693
4 2HB SER 1 2HB SER 1 3.264 3.776 -2.333
5 HG SER 1 HG SER 1 4.690 3.992 -0.678
6 H GLY 2 H GLY 2 0.449 2.509 -2.670
7 1HA GLY 2 1HA GLY 2 -0.768 1.878 -4.716
8 2HA GLY 2 2HA GLY 2 0.756 1.765 -5.570
9 H SER 3 H SER 3 0.687 4.482 -3.489
10 HA SER 3 HA SER 3 -0.036 6.361 -5.692
11 1HB SER 3 1HB SER 3 -0.409 8.015 -3.979
12 2HB SER 3 2HB SER 3 -1.331 6.559 -3.580
13 HG SER 3 HG SER 3 -0.222 7.385 -1.761
14 H ASP 4 H ASP 4 1.241 8.490 -5.475
15 HA ASP 4 HA ASP 4 4.070 8.029 -5.843
16 1HB ASP 4 1HB ASP 4 2.691 9.743 -7.017
17 2HB ASP 4 2HB ASP 4 2.501 10.613 -5.496
18 H GLY 5 H GLY 5 2.212 8.600 -2.997
19 1HA GLY 5 1HA GLY 5 4.132 10.106 -1.434
20 2HA GLY 5 2HA GLY 5 4.226 8.378 -1.074
21 H GLY 6 H GLY 6 2.598 7.415 0.103
22 1HA GLY 6 1HA GLY 6 0.003 7.900 0.609
23 2HA GLY 6 2HA GLY 6 0.747 9.159 1.603
24 H VAL 7 H VAL 7 -0.768 7.458 2.872
25 HA VAL 7 HA VAL 7 0.936 6.263 4.868
26 HB VAL 7 HB VAL 7 -1.263 5.528 5.896
27 1HG1 VAL 7 1HG1 VAL 7 -0.054 7.549 6.567
28 2HG1 VAL 7 2HG1 VAL 7 -0.858 8.482 5.287
29 3HG1 VAL 7 3HG1 VAL 7 -1.804 7.802 6.627
30 1HG2 VAL 7 1HG2 VAL 7 -2.663 5.607 3.772
31 2HG2 VAL 7 2HG2 VAL 7 -3.326 6.513 5.138
32 3HG2 VAL 7 3HG2 VAL 7 -2.527 7.374 3.813
33 H CYS 8 H CYS 8 2.085 4.834 3.409
34 HA CYS 8 HA CYS 8 0.940 2.102 3.705
35 1HB CYS 8 1HB CYS 8 0.906 2.600 1.340
36 2HB CYS 8 2HB CYS 8 2.629 2.990 1.351
37 HA PRO 9 HA PRO 9 4.584 2.207 6.417
38 1HB PRO 9 1HB PRO 9 3.523 -0.556 7.010
39 2HB PRO 9 2HB PRO 9 4.138 0.682 8.148
40 1HG PRO 9 1HG PRO 9 1.482 0.319 7.855
41 2HG PRO 9 2HG PRO 9 2.142 1.991 7.886
42 1HD PRO 9 1HD PRO 9 1.387 0.314 5.475
43 2HD PRO 9 2HD PRO 9 0.982 2.019 5.844
44 H LYS 10 H LYS 10 4.109 0.028 3.804
45 HA LYS 10 HA LYS 10 5.339 -1.573 2.690
46 1HB LYS 10 1HB LYS 10 7.622 0.280 3.438
47 2HB LYS 10 2HB LYS 10 7.688 -0.998 2.223
48 1HG LYS 10 1HG LYS 10 5.911 0.155 0.912
49 2HG LYS 10 2HG LYS 10 5.904 1.468 2.109
50 1HD LYS 10 1HD LYS 10 8.341 1.845 1.680
51 2HD LYS 10 2HD LYS 10 8.298 0.580 0.433
52 1HE LYS 10 1HE LYS 10 6.593 1.892 -0.817
53 2HE LYS 10 2HE LYS 10 6.648 3.143 0.428
54 1HZ LYS 10 1HZ LYS 10 8.996 3.504 -0.130
55 2HZ LYS 10 2HZ LYS 10 8.948 2.345 -1.282
56 3HZ LYS 10 3HZ LYS 10 8.072 3.711 -1.458
57 H ILE 11 H ILE 11 4.804 -3.186 4.207
58 HA ILE 11 HA ILE 11 7.138 -4.313 5.695
59 HB ILE 11 HB ILE 11 5.781 -5.095 7.452
60 1HG1 ILE 11 1HG1 ILE 11 3.696 -5.682 6.489
61 2HG1 ILE 11 2HG1 ILE 11 3.432 -4.576 7.816
62 1HG2 ILE 11 1HG2 ILE 11 6.674 -2.842 7.672
63 2HG2 ILE 11 2HG2 ILE 11 5.171 -2.155 7.037
64 3HG2 ILE 11 3HG2 ILE 11 5.162 -3.037 8.573
65 1HD1 ILE 11 1HD1 ILE 11 3.049 -2.724 6.130
66 2HD1 ILE 11 2HD1 ILE 11 3.145 -3.958 4.847
67 3HD1 ILE 11 3HD1 ILE 11 1.877 -4.048 6.071
68 H LEU 12 H LEU 12 6.963 -6.635 6.137
69 HA LEU 12 HA LEU 12 6.536 -8.096 3.673
70 1HB LEU 12 1HB LEU 12 7.435 -9.036 6.419
71 2HB LEU 12 2HB LEU 12 7.516 -9.989 4.938
72 HG LEU 12 HG LEU 12 9.059 -7.406 5.433
73 1HD1 LEU 12 1HD1 LEU 12 9.849 -9.314 6.785
74 2HD1 LEU 12 2HD1 LEU 12 9.977 -10.307 5.316
75 3HD1 LEU 12 3HD1 LEU 12 11.016 -8.881 5.527
76 1HD2 LEU 12 1HD2 LEU 12 9.132 -9.373 3.098
77 2HD2 LEU 12 2HD2 LEU 12 8.618 -7.670 3.032
78 3HD2 LEU 12 3HD2 LEU 12 10.304 -8.064 3.373
79 H LYS 13 H LYS 13 4.064 -7.141 4.787
80 HA LYS 13 HA LYS 13 2.456 -9.473 5.615
81 1HB LYS 13 1HB LYS 13 1.861 -7.189 6.312
82 2HB LYS 13 2HB LYS 13 1.607 -6.713 4.625
83 1HG LYS 13 1HG LYS 13 -0.214 -8.363 4.413
84 2HG LYS 13 2HG LYS 13 0.089 -8.957 6.048
85 1HD LYS 13 1HD LYS 13 -0.820 -6.125 5.355
86 2HD LYS 13 2HD LYS 13 -1.878 -7.453 5.866
87 1HE LYS 13 1HE LYS 13 -0.587 -7.637 8.002
88 2HE LYS 13 2HE LYS 13 0.362 -6.221 7.528
89 1HZ LYS 13 1HZ LYS 13 -2.585 -6.244 7.918
90 2HZ LYS 13 2HZ LYS 13 -1.504 -5.615 8.964
91 3HZ LYS 13 3HZ LYS 13 -1.707 -4.930 7.497
92 H LYS 14 H LYS 14 2.606 -11.077 4.140
93 HA LYS 14 HA LYS 14 2.443 -10.797 1.277
94 1HB LYS 14 1HB LYS 14 2.124 -13.170 1.205
95 2HB LYS 14 2HB LYS 14 3.424 -12.767 2.322
96 1HG LYS 14 1HG LYS 14 1.786 -13.049 4.237
97 2HG LYS 14 2HG LYS 14 0.594 -13.633 3.070
98 1HD LYS 14 1HD LYS 14 3.327 -14.890 3.590
99 2HD LYS 14 2HD LYS 14 1.794 -15.448 4.274
100 1HE LYS 14 1HE LYS 14 0.917 -15.862 1.979
101 2HE LYS 14 2HE LYS 14 2.465 -15.345 1.299
102 1HZ LYS 14 1HZ LYS 14 2.097 -17.670 3.113
103 2HZ LYS 14 2HZ LYS 14 2.357 -17.758 1.505
104 3HZ LYS 14 3HZ LYS 14 3.529 -17.189 2.485
105 H CYS 15 H CYS 15 0.821 -10.972 -0.061
106 HA CYS 15 HA CYS 15 -2.023 -11.054 0.934
107 1HB CYS 15 1HB CYS 15 -2.505 -8.966 -0.302
108 2HB CYS 15 2HB CYS 15 -1.349 -8.749 0.977
109 H ARG 16 H ARG 16 -3.620 -10.901 -0.782
110 HA ARG 16 HA ARG 16 -2.880 -11.975 -3.468
111 1HB ARG 16 1HB ARG 16 -4.795 -13.485 -3.457
112 2HB ARG 16 2HB ARG 16 -3.648 -13.891 -2.180
113 1HG ARG 16 1HG ARG 16 -5.101 -12.820 -0.492
114 2HG ARG 16 2HG ARG 16 -6.245 -12.333 -1.760
115 1HD ARG 16 1HD ARG 16 -6.657 -14.701 -2.307
116 2HD ARG 16 2HD ARG 16 -5.482 -15.198 -1.070
117 HE ARG 16 HE ARG 16 -7.405 -13.531 0.191
118 1HH1 ARG 16 1HH1 ARG 16 -9.048 -14.304 1.438
119 2HH1 ARG 16 2HH1 ARG 16 -9.590 -15.949 1.244
120 1HH2 ARG 16 1HH2 ARG 16 -7.361 -16.722 -1.243
121 2HH2 ARG 16 2HH2 ARG 16 -8.665 -17.290 -0.231
122 H ARG 17 H ARG 17 -4.704 -9.723 -1.617
123 HA ARG 17 HA ARG 17 -5.534 -8.393 -4.131
124 1HB ARG 17 1HB ARG 17 -7.476 -9.833 -2.988
125 2HB ARG 17 2HB ARG 17 -7.534 -8.447 -1.876
126 1HG ARG 17 1HG ARG 17 -8.105 -6.935 -3.636
127 2HG ARG 17 2HG ARG 17 -7.733 -8.144 -4.882
128 1HD ARG 17 1HD ARG 17 -10.089 -8.051 -4.758
129 2HD ARG 17 2HD ARG 17 -9.617 -9.554 -3.952
130 HE ARG 17 HE ARG 17 -9.957 -7.229 -2.149
131 1HH1 ARG 17 1HH1 ARG 17 -11.536 -7.103 -0.771
132 2HH1 ARG 17 2HH1 ARG 17 -12.918 -8.187 -0.833
133 1HH2 ARG 17 1HH2 ARG 17 -11.753 -9.860 -3.617
134 2HH2 ARG 17 2HH2 ARG 17 -13.032 -9.722 -2.436
135 H ASP 18 H ASP 18 -6.440 -6.213 -3.547
136 HA ASP 18 HA ASP 18 -4.382 -4.762 -2.024
137 1HB ASP 18 1HB ASP 18 -6.939 -3.672 -3.257
138 2HB ASP 18 2HB ASP 18 -5.540 -2.734 -2.712
139 H SER 19 H SER 19 -7.594 -5.922 -1.345
140 HA SER 19 HA SER 19 -8.288 -4.382 0.959
141 1HB SER 19 1HB SER 19 -9.006 -7.283 0.403
142 2HB SER 19 2HB SER 19 -9.914 -6.113 1.375
143 HG SER 19 HG SER 19 -10.179 -4.884 -0.609
144 H ASP 20 H ASP 20 -5.994 -6.916 0.505
145 HA ASP 20 HA ASP 20 -5.728 -7.798 3.297
146 1HB ASP 20 1HB ASP 20 -3.882 -7.920 0.905
147 2HB ASP 20 2HB ASP 20 -3.493 -8.699 2.397
148 H CYS 21 H CYS 21 -4.763 -4.919 1.657
149 HA CYS 21 HA CYS 21 -2.485 -4.442 3.517
150 1HB CYS 21 1HB CYS 21 -3.017 -3.314 0.753
151 2HB CYS 21 2HB CYS 21 -1.557 -3.109 1.722
152 HA PRO 22 HA PRO 22 -4.579 -0.906 5.149
153 1HB PRO 22 1HB PRO 22 -2.567 0.517 6.298
154 2HB PRO 22 2HB PRO 22 -2.992 -1.135 6.841
155 1HG PRO 22 1HG PRO 22 -0.813 -0.322 4.892
156 2HG PRO 22 2HG PRO 22 -0.651 -1.368 6.339
157 1HD PRO 22 1HD PRO 22 -1.002 -2.412 3.842
158 2HD PRO 22 2HD PRO 22 -1.751 -3.165 5.280
159 H GLY 23 H GLY 23 -4.823 1.372 5.107
160 1HA GLY 23 1HA GLY 23 -3.694 3.526 4.253
161 2HA GLY 23 2HA GLY 23 -5.378 3.258 3.844
162 H ALA 24 H ALA 24 -2.187 3.626 2.655
163 HA ALA 24 HA ALA 24 -3.208 4.013 -0.108
164 1HB ALA 24 1HB ALA 24 -2.098 5.883 1.114
165 2HB ALA 24 2HB ALA 24 -1.266 5.436 -0.386
166 3HB ALA 24 3HB ALA 24 -0.602 4.913 1.170
167 H CYS 25 H CYS 25 -1.858 1.407 1.419
168 HA CYS 25 HA CYS 25 0.132 0.646 -0.573
169 1HB CYS 25 1HB CYS 25 -1.400 -1.050 1.411
170 2HB CYS 25 2HB CYS 25 0.009 -1.548 0.485
171 H ILE 26 H ILE 26 -0.111 -1.280 -1.777
172 HA ILE 26 HA ILE 26 -2.761 -2.309 -2.615
173 HB ILE 26 HB ILE 26 -1.852 -2.516 -4.954
174 1HG1 ILE 26 1HG1 ILE 26 0.209 -0.427 -4.187
175 2HG1 ILE 26 2HG1 ILE 26 0.587 -2.141 -4.247
176 1HG2 ILE 26 1HG2 ILE 26 -3.506 -0.801 -4.333
177 2HG2 ILE 26 2HG2 ILE 26 -2.205 0.342 -3.960
178 3HG2 ILE 26 3HG2 ILE 26 -2.447 -0.231 -5.625
179 1HD1 ILE 26 1HD1 ILE 26 -0.429 -0.550 -6.625
180 2HD1 ILE 26 2HD1 ILE 26 1.253 -0.994 -6.309
181 3HD1 ILE 26 3HD1 ILE 26 0.065 -2.275 -6.606
182 H CYS 27 H CYS 27 -2.412 -4.465 -3.695
183 HA CYS 27 HA CYS 27 -0.205 -5.971 -2.384
184 1HB CYS 27 1HB CYS 27 -2.524 -6.825 -2.424
185 2HB CYS 27 2HB CYS 27 -2.429 -7.002 -4.183
186 H ARG 28 H ARG 28 1.648 -5.618 -3.346
187 HA ARG 28 HA ARG 28 2.033 -4.672 -6.055
188 1HB ARG 28 1HB ARG 28 3.993 -5.763 -3.981
189 2HB ARG 28 2HB ARG 28 4.471 -4.904 -5.431
190 1HG ARG 28 1HG ARG 28 2.735 -3.673 -3.241
191 2HG ARG 28 2HG ARG 28 4.489 -3.604 -3.242
192 1HD ARG 28 1HD ARG 28 2.770 -2.505 -5.495
193 2HD ARG 28 2HD ARG 28 3.336 -1.550 -4.117
194 HE ARG 28 HE ARG 28 5.544 -2.897 -5.402
195 1HH1 ARG 28 1HH1 ARG 28 6.913 -1.935 -6.821
196 2HH1 ARG 28 2HH1 ARG 28 6.581 -0.322 -7.384
197 1HH2 ARG 28 1HH2 ARG 28 3.688 0.082 -5.603
198 2HH2 ARG 28 2HH2 ARG 28 4.780 0.748 -6.786
199 H GLY 29 H GLY 29 3.769 -5.787 -7.379
200 1HA GLY 29 1HA GLY 29 4.058 -7.402 -9.050
201 2HA GLY 29 2HA GLY 29 2.555 -8.147 -8.510
202 H ASN 30 H ASN 30 5.005 -7.807 -6.153
203 HA ASN 30 HA ASN 30 6.170 -10.502 -6.440
204 1HB ASN 30 1HB ASN 30 7.536 -9.920 -4.561
205 2HB ASN 30 2HB ASN 30 7.517 -8.558 -5.679
206 2HD2 ASN 30 2HD2 ASN 30 8.413 -7.986 -3.208
207 1HD2 ASN 30 1HD2 ASN 30 7.167 -7.128 -2.309
208 H GLY 31 H GLY 31 3.239 -9.412 -5.112
209 1HA GLY 31 1HA GLY 31 2.808 -11.975 -3.688
210 2HA GLY 31 2HA GLY 31 1.598 -10.771 -4.107
211 H TYR 32 H TYR 32 3.494 -8.657 -2.796
212 HA TYR 32 HA TYR 32 2.509 -9.046 0.004
213 1HB TYR 32 1HB TYR 32 5.214 -8.116 -0.943
214 2HB TYR 32 2HB TYR 32 4.654 -7.875 0.697
215 HD1 TYR 32 HD1 TYR 32 5.604 -10.494 -1.808
216 HD2 TYR 32 HD2 TYR 32 4.913 -9.545 2.328
217 HE1 TYR 32 HE1 TYR 32 6.601 -12.673 -1.150
218 HE2 TYR 32 HE2 TYR 32 5.955 -11.709 3.005
219 HH TYR 32 HH TYR 32 7.190 -14.049 0.585
220 H CYS 33 H CYS 33 2.294 -7.056 1.219
221 HA CYS 33 HA CYS 33 1.045 -4.964 -0.295
222 1HB CYS 33 1HB CYS 33 1.903 -5.127 2.617
223 2HB CYS 33 2HB CYS 33 0.886 -3.850 1.947
224 H GLY 34 H GLY 34 1.708 -2.946 -0.900
225 1HA GLY 34 1HA GLY 34 4.363 -2.189 -1.382
226 2HA GLY 34 2HA GLY 34 3.959 -1.518 0.206
No H/Q in entry = 226