Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
2227 | 1bku RC | 4219 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H CYS 1 2H CYS 1 14.435 -3.317 5.079
2 2H CYS 1 3H CYS 1 14.886 -1.991 4.208
3 3H CYS 1 1H CYS 1 13.467 -2.760 3.864
4 HA CYS 1 HA CYS 1 14.586 -4.701 3.192
5 1HB CYS 1 1HB CYS 1 14.030 -3.088 1.494
6 2HB CYS 1 2HB CYS 1 15.477 -2.143 1.834
7 H SER 2 H SER 2 16.183 -6.001 3.753
8 HA SER 2 HA SER 2 18.757 -4.907 4.780
9 1HB SER 2 1HB SER 2 17.393 -7.598 5.217
10 2HB SER 2 2HB SER 2 18.952 -7.087 5.897
11 HG SER 2 HG SER 2 16.443 -5.836 6.321
12 H ASN 3 H ASN 3 17.495 -7.759 2.974
13 HA ASN 3 HA ASN 3 19.768 -7.612 1.067
14 1HB ASN 3 1HB ASN 3 19.020 -10.064 2.723
15 2HB ASN 3 2HB ASN 3 20.123 -10.051 1.339
16 1HD2 ASN 3 1HD2 ASN 3 21.387 -8.759 5.027
17 2HD2 ASN 3 2HD2 ASN 3 19.719 -9.198 4.733
18 H LEU 4 H LEU 4 16.942 -9.667 1.957
19 HA LEU 4 HA LEU 4 15.611 -9.054 -0.539
20 1HB LEU 4 1HB LEU 4 15.550 -11.181 -1.514
21 2HB LEU 4 2HB LEU 4 17.241 -10.751 -1.298
22 HG LEU 4 HG LEU 4 15.665 -12.715 0.442
23 1HD1 LEU 4 1HD1 LEU 4 16.013 -13.499 -1.864
24 2HD1 LEU 4 2HD1 LEU 4 17.755 -13.184 -1.716
25 3HD1 LEU 4 3HD1 LEU 4 16.983 -14.429 -0.711
26 1HD2 LEU 4 2HD2 LEU 4 18.631 -11.982 0.419
27 2HD2 LEU 4 3HD2 LEU 4 17.501 -11.799 1.782
28 3HD2 LEU 4 1HD2 LEU 4 17.954 -13.408 1.231
29 H SER 5 H SER 5 15.710 -11.004 2.435
30 HA SER 5 HA SER 5 12.994 -11.842 2.378
31 1HB SER 5 1HB SER 5 13.366 -12.321 4.794
32 2HB SER 5 2HB SER 5 14.623 -12.986 3.735
33 HG SER 5 HG SER 5 15.929 -11.200 4.286
34 H THR 6 H THR 6 14.505 -9.337 4.465
35 HA THR 6 HA THR 6 12.136 -8.123 5.357
36 HB THR 6 HB THR 6 14.897 -6.905 4.992
37 HG1 THR 6 HG1 THR 6 13.768 -8.365 7.137
38 1HG2 THR 6 3HG2 THR 6 12.626 -6.208 6.909
39 2HG2 THR 6 1HG2 THR 6 14.268 -5.534 6.975
40 3HG2 THR 6 2HG2 THR 6 13.229 -5.184 5.587
41 H CYS 7 H CYS 7 13.957 -7.659 2.343
42 HA CYS 7 HA CYS 7 12.823 -5.149 1.587
43 1HB CYS 7 1HB CYS 7 13.939 -7.345 -0.178
44 2HB CYS 7 2HB CYS 7 13.753 -5.645 -0.606
45 H VAL 8 H VAL 8 12.028 -8.532 0.616
46 HA VAL 8 HA VAL 8 9.777 -7.821 -0.994
47 HB VAL 8 HB VAL 8 10.701 -10.421 0.275
48 1HG1 VAL 8 3HG2 VAL 8 8.352 -9.953 -1.614
49 2HG1 VAL 8 1HG2 VAL 8 9.082 -11.537 -1.281
50 3HG1 VAL 8 2HG2 VAL 8 8.285 -10.651 0.021
51 1HG2 VAL 8 3HG1 VAL 8 12.076 -9.419 -1.603
52 2HG2 VAL 8 1HG1 VAL 8 11.337 -10.971 -2.027
53 3HG2 VAL 8 2HG1 VAL 8 10.631 -9.456 -2.625
54 H LEU 9 H LEU 9 10.031 -9.000 2.410
55 HA LEU 9 HA LEU 9 7.258 -9.016 2.982
56 1HB LEU 9 1HB LEU 9 9.689 -8.508 4.733
57 2HB LEU 9 2HB LEU 9 8.060 -8.717 5.380
58 HG LEU 9 HG LEU 9 9.425 -10.838 3.662
59 1HD1 LEU 9 3HD1 LEU 9 10.751 -10.423 5.710
60 2HD1 LEU 9 1HD1 LEU 9 9.288 -10.618 6.698
61 3HD1 LEU 9 2HD1 LEU 9 9.933 -11.994 5.776
62 1HD2 LEU 9 3HD2 LEU 9 7.015 -10.929 5.531
63 2HD2 LEU 9 1HD2 LEU 9 6.976 -11.078 3.760
64 3HD2 LEU 9 2HD2 LEU 9 7.752 -12.331 4.731
65 H GLY 10 H GLY 10 9.672 -6.383 3.254
66 1HA GLY 10 1HA GLY 10 8.007 -4.391 4.375
67 2HA GLY 10 2HA GLY 10 9.467 -4.132 3.407
68 H LYS 11 H LYS 11 8.725 -5.237 0.949
69 HA LYS 11 HA LYS 11 7.314 -3.118 -0.278
70 1HB LYS 11 1HB LYS 11 8.999 -4.500 -1.394
71 2HB LYS 11 2HB LYS 11 7.941 -5.917 -1.280
72 1HG LYS 11 1HG LYS 11 6.290 -4.842 -2.762
73 2HG LYS 11 2HG LYS 11 7.241 -3.347 -2.757
74 1HD LYS 11 1HD LYS 11 7.620 -4.541 -4.822
75 2HD LYS 11 2HD LYS 11 9.116 -4.531 -3.874
76 1HE LYS 11 1HE LYS 11 8.718 -6.863 -3.175
77 2HE LYS 11 2HE LYS 11 7.137 -6.857 -3.985
78 1HZ LYS 11 2HZ LYS 11 8.283 -6.545 -6.049
79 2HZ LYS 11 3HZ LYS 11 9.745 -6.542 -5.287
80 3HZ LYS 11 1HZ LYS 11 8.819 -7.906 -5.288
81 H LEU 12 H LEU 12 6.290 -6.497 0.444
82 HA LEU 12 HA LEU 12 3.642 -6.275 -0.567
83 1HB LEU 12 1HB LEU 12 4.864 -8.063 1.569
84 2HB LEU 12 2HB LEU 12 3.246 -8.302 0.899
85 HG LEU 12 HG LEU 12 5.763 -8.291 -0.820
86 1HD1 LEU 12 2HD1 LEU 12 5.892 -10.098 0.856
87 2HD1 LEU 12 3HD1 LEU 12 4.271 -10.656 0.388
88 3HD1 LEU 12 1HD1 LEU 12 5.618 -10.751 -0.769
89 1HD2 LEU 12 2HD2 LEU 12 2.925 -9.284 -1.334
90 2HD2 LEU 12 3HD2 LEU 12 3.703 -7.885 -2.106
91 3HD2 LEU 12 1HD2 LEU 12 4.308 -9.514 -2.423
92 H SER 13 H SER 13 4.986 -5.753 2.709
93 HA SER 13 HA SER 13 2.535 -5.262 4.045
94 1HB SER 13 1HB SER 13 4.647 -5.732 5.201
95 2HB SER 13 2HB SER 13 5.323 -4.187 4.642
96 HG SER 13 HG SER 13 3.623 -3.153 5.782
97 H GLN 14 H GLN 14 4.779 -3.044 2.320
98 HA GLN 14 HA GLN 14 3.357 -0.655 2.943
99 1HB GLN 14 1HB GLN 14 5.707 -0.664 2.291
100 2HB GLN 14 2HB GLN 14 5.304 -1.312 0.697
101 1HG GLN 14 1HG GLN 14 5.749 1.125 0.652
102 2HG GLN 14 2HG GLN 14 4.127 0.727 0.086
103 1HE2 GLN 14 1HE2 GLN 14 4.577 2.585 3.796
104 2HE2 GLN 14 2HE2 GLN 14 5.827 1.519 3.191
105 H GLU 15 H GLU 15 3.169 -2.972 0.212
106 HA GLU 15 HA GLU 15 1.384 -1.483 -1.414
107 1HB GLU 15 1HB GLU 15 2.800 -3.506 -2.007
108 2HB GLU 15 2HB GLU 15 1.583 -4.521 -1.232
109 1HG GLU 15 1HG GLU 15 1.165 -2.612 -3.583
110 2HG GLU 15 2HG GLU 15 1.343 -4.365 -3.698
111 H LEU 16 H LEU 16 0.812 -4.023 1.073
112 HA LEU 16 HA LEU 16 -1.991 -4.070 1.005
113 1HB LEU 16 1HB LEU 16 -0.508 -5.717 2.034
114 2HB LEU 16 2HB LEU 16 -0.076 -4.600 3.327
115 HG LEU 16 HG LEU 16 -2.986 -5.286 2.826
116 1HD1 LEU 16 2HD1 LEU 16 -1.002 -7.015 4.362
117 2HD1 LEU 16 3HD1 LEU 16 -2.766 -7.235 4.341
118 3HD1 LEU 16 1HD1 LEU 16 -1.833 -7.454 2.852
119 1HD2 LEU 16 2HD2 LEU 16 -1.386 -4.696 5.370
120 2HD2 LEU 16 3HD2 LEU 16 -2.509 -3.574 4.581
121 3HD2 LEU 16 1HD2 LEU 16 -3.121 -5.056 5.310
122 H HIS 17 H HIS 17 0.255 -2.080 2.993
123 HA HIS 17 HA HIS 17 -1.701 -0.698 4.493
124 1HB HIS 17 1HB HIS 17 0.640 -0.764 5.136
125 2HB HIS 17 2HB HIS 17 1.114 0.084 3.658
126 HD1 HIS 17 HD1 HIS 17 -1.410 0.817 6.479
127 HD2 HIS 17 HD2 HIS 17 1.550 2.720 4.201
128 HE1 HIS 17 HE1 HIS 17 -1.300 3.237 7.247
129 H LYS 18 H LYS 18 -0.205 0.058 1.316
130 HA LYS 18 HA LYS 18 -1.270 2.643 0.974
131 1HB LYS 18 1HB LYS 18 0.535 1.769 -0.351
132 2HB LYS 18 2HB LYS 18 -0.488 0.520 -1.055
133 1HG LYS 18 1HG LYS 18 -1.279 3.418 -1.343
134 2HG LYS 18 2HG LYS 18 0.066 2.829 -2.312
135 1HD LYS 18 1HD LYS 18 -2.553 1.298 -2.386
136 2HD LYS 18 2HD LYS 18 -2.372 2.813 -3.268
137 1HE LYS 18 1HE LYS 18 -1.899 0.958 -4.736
138 2HE LYS 18 2HE LYS 18 -0.435 1.924 -4.495
139 1HZ LYS 18 3HZ LYS 18 -1.064 -0.603 -3.133
140 2HZ LYS 18 1HZ LYS 18 -0.026 -0.421 -4.399
141 3HZ LYS 18 2HZ LYS 18 0.318 0.280 -2.949
142 H LEU 19 H LEU 19 -2.636 -0.582 0.117
143 HA LEU 19 HA LEU 19 -5.078 0.464 -0.996
144 1HB LEU 19 1HB LEU 19 -4.455 -2.254 0.230
145 2HB LEU 19 2HB LEU 19 -5.915 -1.856 -0.679
146 HG LEU 19 HG LEU 19 -3.080 -1.764 -1.793
147 1HD1 LEU 19 2HD1 LEU 19 -5.292 -3.840 -2.095
148 2HD1 LEU 19 3HD1 LEU 19 -3.756 -3.847 -2.982
149 3HD1 LEU 19 1HD1 LEU 19 -3.759 -4.053 -1.221
150 1HD2 LEU 19 2HD2 LEU 19 -5.790 -1.517 -3.168
151 2HD2 LEU 19 3HD2 LEU 19 -4.541 -0.252 -3.050
152 3HD2 LEU 19 1HD2 LEU 19 -4.235 -1.704 -4.004
153 H GLN 20 H GLN 20 -4.567 -1.271 2.073
154 HA GLN 20 HA GLN 20 -5.667 -1.453 3.942
155 1HB GLN 20 1HB GLN 20 -6.099 0.538 5.288
156 2HB GLN 20 2HB GLN 20 -4.476 0.383 4.627
157 1HG GLN 20 1HG GLN 20 -4.968 2.140 2.946
158 2HG GLN 20 2HG GLN 20 -6.612 2.297 3.592
159 1HE2 GLN 20 1HE2 GLN 20 -3.398 3.720 5.783
160 2HE2 GLN 20 2HE2 GLN 20 -3.154 2.467 4.585
161 H THR 21 H THR 21 -7.681 1.148 2.506
162 HA THR 21 HA THR 21 -10.122 -0.502 2.993
163 HB THR 21 HB THR 21 -9.782 2.516 2.714
164 HG1 THR 21 HG1 THR 21 -10.413 0.870 4.932
165 1HG2 THR 21 3HG2 THR 21 -12.246 0.815 3.320
166 2HG2 THR 21 1HG2 THR 21 -12.168 2.588 3.395
167 3HG2 THR 21 2HG2 THR 21 -11.976 1.762 1.840
168 H TYR 22 H TYR 22 -8.532 1.837 0.784
169 HA TYR 22 HA TYR 22 -8.623 2.221 -1.409
170 1HB TYR 22 1HB TYR 22 -7.571 -0.028 -1.316
171 2HB TYR 22 2HB TYR 22 -9.121 -0.753 -1.707
172 HD1 TYR 22 HD2 TYR 22 -6.429 1.532 -2.906
173 HD2 TYR 22 HD1 TYR 22 -9.912 -0.754 -4.025
174 HE1 TYR 22 HE2 TYR 22 -5.912 1.907 -5.298
175 HE2 TYR 22 HE1 TYR 22 -9.451 -0.284 -6.409
176 HH TYR 22 HH TYR 22 -6.629 1.657 -7.468
177 HA PRO 23 HA PRO 23 -13.237 2.323 -1.893
178 1HB PRO 23 1HB PRO 23 -13.731 4.930 -1.410
179 2HB PRO 23 2HB PRO 23 -13.415 3.798 -0.070
180 1HG PRO 23 1HG PRO 23 -11.415 5.662 -1.384
181 2HG PRO 23 2HG PRO 23 -11.765 5.484 0.358
182 1HD PRO 23 2HD PRO 23 -9.713 4.151 -0.910
183 2HD PRO 23 1HD PRO 23 -10.597 3.459 0.480
184 H ARG 24 H ARG 24 -11.754 1.776 -3.905
185 HA ARG 24 HA ARG 24 -10.952 2.117 -5.979
186 1HB ARG 24 1HB ARG 24 -12.999 4.367 -6.196
187 2HB ARG 24 2HB ARG 24 -12.189 3.527 -7.521
188 1HG ARG 24 1HG ARG 24 -14.177 2.307 -5.551
189 2HG ARG 24 2HG ARG 24 -14.471 2.743 -7.236
190 1HD ARG 24 1HD ARG 24 -12.694 1.066 -7.920
191 2HD ARG 24 2HD ARG 24 -12.585 0.571 -6.225
192 HE ARG 24 HE ARG 24 -14.537 -0.575 -6.368
193 1HH1 ARG 24 2HH2 ARG 24 -14.307 1.510 -9.251
194 2HH1 ARG 24 1HH2 ARG 24 -15.675 0.754 -10.033
195 1HH2 ARG 24 1HH1 ARG 24 -16.313 -1.525 -7.419
196 2HH2 ARG 24 2HH1 ARG 24 -16.813 -0.960 -8.997
197 H THR 25 H THR 25 -9.146 2.759 -4.536
198 HA THR 25 HA THR 25 -7.252 3.891 -4.242
199 HB THR 25 HB THR 25 -8.235 6.133 -6.047
200 HG1 THR 25 HG1 THR 25 -7.040 4.983 -7.604
201 1HG2 THR 25 2HG2 THR 25 -5.461 5.286 -5.125
202 2HG2 THR 25 3HG2 THR 25 -5.819 6.529 -6.341
203 3HG2 THR 25 1HG2 THR 25 -6.316 6.775 -4.661
204 H ASP 26 H ASP 26 -6.552 5.058 -2.563
205 HA ASP 26 HA ASP 26 -8.571 6.179 -0.777
206 1HB ASP 26 1HB ASP 26 -5.572 5.786 -0.437
207 2HB ASP 26 2HB ASP 26 -6.736 6.177 0.840
208 H VAL 27 H VAL 27 -8.947 7.908 -2.514
209 HA VAL 27 HA VAL 27 -7.037 10.069 -2.739
210 HB VAL 27 HB VAL 27 -10.004 9.916 -3.430
211 1HG1 VAL 27 3HG1 VAL 27 -7.861 11.936 -4.236
212 2HG1 VAL 27 1HG1 VAL 27 -9.506 11.857 -4.901
213 3HG1 VAL 27 2HG1 VAL 27 -9.265 12.260 -3.197
214 1HG2 VAL 27 3HG2 VAL 27 -7.506 9.543 -5.145
215 2HG2 VAL 27 1HG2 VAL 27 -8.679 8.280 -4.715
216 3HG2 VAL 27 2HG2 VAL 27 -9.173 9.621 -5.753
217 H GLY 28 H GLY 28 -10.221 9.696 -1.086
218 1HA GLY 28 2HA GLY 28 -10.908 10.486 0.963
219 2HA GLY 28 1HA GLY 28 -9.366 11.320 1.201
220 H ALA 29 H ALA 29 -8.998 13.191 -0.425
221 HA ALA 29 HA ALA 29 -11.304 15.013 -0.337
222 1HB ALA 29 3HB ALA 29 -9.098 15.779 0.393
223 2HB ALA 29 1HB ALA 29 -8.414 15.413 -1.204
224 3HB ALA 29 2HB ALA 29 -9.642 16.688 -1.029
225 H GLY 30 H GLY 30 -12.351 13.327 -1.892
226 1HA GLY 30 2HA GLY 30 -11.631 13.389 -4.694
227 2HA GLY 30 1HA GLY 30 -13.141 12.801 -3.978
228 H THR 31 H THR 31 -14.401 14.731 -2.841
229 HA THR 31 HA THR 31 -14.420 17.187 -4.534
230 HB THR 31 HB THR 31 -16.872 15.604 -3.690
231 HG1 THR 31 HG1 THR 31 -17.027 15.253 -5.928
232 1HG2 THR 31 3HG2 THR 31 -16.535 18.094 -5.435
233 2HG2 THR 31 1HG2 THR 31 -18.053 17.215 -5.162
234 3HG2 THR 31 2HG2 THR 31 -17.276 18.070 -3.822
235 HA PRO 32 HA PRO 32 -14.144 17.846 0.054
236 1HB PRO 32 1HB PRO 32 -12.190 19.754 0.116
237 2HB PRO 32 2HB PRO 32 -11.855 18.009 -0.066
238 1HG PRO 32 1HG PRO 32 -12.019 20.086 -2.259
239 2HG PRO 32 2HG PRO 32 -10.751 18.857 -2.002
240 1HD PRO 32 1HD PRO 32 -12.803 18.486 -3.754
241 2HD PRO 32 2HD PRO 32 -12.141 17.126 -2.799
242 1HN NH2 33 1HN NH2 33 -15.270 21.474 -1.660
243 2HN NH2 33 2HN NH2 33 -14.112 20.450 -2.478
No H/Q in entry = 243
Start of MODEL 2
1 1H CYS 1 3H CYS 1 17.612 -1.838 3.539
2 2H CYS 1 1H CYS 1 18.209 -1.410 2.063
3 3H CYS 1 2H CYS 1 16.729 -0.865 2.544
4 HA CYS 1 HA CYS 1 15.844 -3.037 2.562
5 1HB CYS 1 1HB CYS 1 15.589 -1.710 0.558
6 2HB CYS 1 2HB CYS 1 17.167 -2.205 -0.040
7 H SER 2 H SER 2 18.782 -3.343 0.541
8 HA SER 2 HA SER 2 20.317 -4.932 0.267
9 1HB SER 2 1HB SER 2 20.094 -5.160 3.299
10 2HB SER 2 2HB SER 2 21.404 -5.822 2.300
11 HG SER 2 HG SER 2 21.874 -3.754 3.141
12 H ASN 3 H ASN 3 19.114 -6.892 2.946
13 HA ASN 3 HA ASN 3 18.916 -9.216 1.290
14 1HB ASN 3 1HB ASN 3 17.944 -8.691 4.130
15 2HB ASN 3 2HB ASN 3 18.094 -10.281 3.367
16 1HD2 ASN 3 1HD2 ASN 3 21.704 -10.350 3.492
17 2HD2 ASN 3 2HD2 ASN 3 20.328 -10.887 2.552
18 H LEU 4 H LEU 4 17.276 -9.771 0.001
19 HA LEU 4 HA LEU 4 14.667 -8.437 0.117
20 1HB LEU 4 1HB LEU 4 15.702 -10.622 -1.723
21 2HB LEU 4 2HB LEU 4 14.231 -9.658 -1.937
22 HG LEU 4 HG LEU 4 17.112 -8.645 -2.030
23 1HD1 LEU 4 1HD1 LEU 4 16.381 -9.940 -4.002
24 2HD1 LEU 4 2HD1 LEU 4 14.970 -8.874 -4.183
25 3HD1 LEU 4 3HD1 LEU 4 16.611 -8.227 -4.395
26 1HD2 LEU 4 1HD2 LEU 4 14.486 -7.116 -2.315
27 2HD2 LEU 4 2HD2 LEU 4 15.745 -6.862 -1.083
28 3HD2 LEU 4 3HD2 LEU 4 16.081 -6.483 -2.774
29 H SER 5 H SER 5 14.552 -9.330 2.385
30 HA SER 5 HA SER 5 12.738 -11.652 2.381
31 1HB SER 5 1HB SER 5 14.911 -12.662 2.899
32 2HB SER 5 2HB SER 5 15.218 -11.451 4.157
33 HG SER 5 HG SER 5 13.066 -13.304 4.100
34 H THR 6 H THR 6 14.488 -9.483 4.676
35 HA THR 6 HA THR 6 12.123 -8.719 6.136
36 HB THR 6 HB THR 6 14.859 -7.385 5.891
37 HG1 THR 6 HG1 THR 6 15.235 -8.529 7.821
38 1HG2 THR 6 3HG2 THR 6 12.657 -7.091 7.987
39 2HG2 THR 6 1HG2 THR 6 14.289 -6.401 8.103
40 3HG2 THR 6 2HG2 THR 6 13.182 -5.835 6.843
41 H CYS 7 H CYS 7 14.088 -7.261 3.503
42 HA CYS 7 HA CYS 7 12.625 -4.859 3.243
43 1HB CYS 7 1HB CYS 7 14.873 -5.198 2.372
44 2HB CYS 7 2HB CYS 7 14.275 -6.383 1.206
45 H VAL 8 H VAL 8 12.331 -7.974 1.400
46 HA VAL 8 HA VAL 8 10.361 -6.936 -0.345
47 HB VAL 8 HB VAL 8 11.891 -8.888 -0.747
48 1HG1 VAL 8 2HG2 VAL 8 11.344 -10.158 1.331
49 2HG1 VAL 8 3HG2 VAL 8 9.746 -10.536 0.654
50 3HG1 VAL 8 1HG2 VAL 8 11.213 -11.115 -0.153
51 1HG2 VAL 8 3HG1 VAL 8 10.066 -8.264 -2.284
52 2HG2 VAL 8 1HG1 VAL 8 10.295 -10.020 -2.230
53 3HG2 VAL 8 2HG1 VAL 8 8.933 -9.279 -1.367
54 H LEU 9 H LEU 9 10.035 -8.833 2.697
55 HA LEU 9 HA LEU 9 7.184 -9.043 2.630
56 1HB LEU 9 1HB LEU 9 9.189 -9.036 4.911
57 2HB LEU 9 2HB LEU 9 7.464 -9.326 5.143
58 HG LEU 9 HG LEU 9 9.211 -11.052 3.335
59 1HD1 LEU 9 1HD1 LEU 9 9.924 -11.178 5.725
60 2HD1 LEU 9 2HD1 LEU 9 8.254 -11.554 6.189
61 3HD1 LEU 9 3HD1 LEU 9 9.175 -12.685 5.174
62 1HD2 LEU 9 1HD2 LEU 9 6.389 -11.422 4.434
63 2HD2 LEU 9 2HD2 LEU 9 6.842 -11.216 2.728
64 3HD2 LEU 9 3HD2 LEU 9 7.328 -12.672 3.595
65 H GLY 10 H GLY 10 9.398 -6.584 4.027
66 1HA GLY 10 1HA GLY 10 7.488 -4.897 5.224
67 2HA GLY 10 2HA GLY 10 9.066 -4.409 4.583
68 H LYS 11 H LYS 11 8.765 -4.967 1.866
69 HA LYS 11 HA LYS 11 7.519 -2.615 0.942
70 1HB LYS 11 1HB LYS 11 9.438 -3.723 -0.090
71 2HB LYS 11 2HB LYS 11 8.432 -5.065 -0.635
72 1HG LYS 11 1HG LYS 11 7.821 -2.185 -1.421
73 2HG LYS 11 2HG LYS 11 9.064 -3.133 -2.246
74 1HD LYS 11 1HD LYS 11 7.390 -4.865 -2.847
75 2HD LYS 11 2HD LYS 11 6.118 -3.901 -2.083
76 1HE LYS 11 1HE LYS 11 6.035 -3.508 -4.436
77 2HE LYS 11 2HE LYS 11 6.582 -2.026 -3.632
78 1HZ LYS 11 3HZ LYS 11 8.305 -3.994 -4.973
79 2HZ LYS 11 1HZ LYS 11 7.843 -2.537 -5.594
80 3HZ LYS 11 2HZ LYS 11 8.814 -2.594 -4.264
81 H LEU 12 H LEU 12 6.529 -6.069 0.387
82 HA LEU 12 HA LEU 12 4.132 -5.310 -0.922
83 1HB LEU 12 1HB LEU 12 3.538 -7.612 -0.958
84 2HB LEU 12 2HB LEU 12 5.245 -7.389 -1.315
85 HG LEU 12 HG LEU 12 5.531 -7.930 1.288
86 1HD1 LEU 12 2HD2 LEU 12 3.067 -8.155 1.772
87 2HD1 LEU 12 3HD2 LEU 12 2.974 -9.438 0.556
88 3HD1 LEU 12 1HD2 LEU 12 3.941 -9.668 2.025
89 1HD2 LEU 12 2HD1 LEU 12 4.966 -10.025 -0.850
90 2HD2 LEU 12 3HD1 LEU 12 6.518 -9.208 -0.576
91 3HD2 LEU 12 1HD1 LEU 12 5.866 -10.298 0.656
92 H SER 13 H SER 13 4.805 -5.934 2.526
93 HA SER 13 HA SER 13 2.101 -6.021 3.410
94 1HB SER 13 1HB SER 13 3.973 -6.747 4.803
95 2HB SER 13 2HB SER 13 4.617 -5.090 4.859
96 HG SER 13 HG SER 13 2.661 -4.476 5.877
97 H GLN 14 H GLN 14 4.447 -3.289 3.164
98 HA GLN 14 HA GLN 14 2.655 -1.284 4.049
99 1HB GLN 14 1HB GLN 14 5.097 -1.049 4.059
100 2HB GLN 14 2HB GLN 14 5.132 -1.094 2.290
101 1HG GLN 14 1HG GLN 14 5.356 1.187 3.118
102 2HG GLN 14 2HG GLN 14 3.871 1.029 2.186
103 1HE2 GLN 14 1HE2 GLN 14 1.715 1.805 4.924
104 2HE2 GLN 14 2HE2 GLN 14 1.828 1.199 3.285
105 H GLU 15 H GLU 15 3.353 -2.604 0.795
106 HA GLU 15 HA GLU 15 1.974 -0.646 -0.721
107 1HB GLU 15 1HB GLU 15 3.617 -2.224 -1.627
108 2HB GLU 15 2HB GLU 15 2.519 -3.581 -1.319
109 1HG GLU 15 1HG GLU 15 0.893 -2.665 -2.916
110 2HG GLU 15 2HG GLU 15 1.895 -1.220 -3.144
111 H LEU 16 H LEU 16 0.913 -3.888 0.449
112 HA LEU 16 HA LEU 16 -1.767 -3.741 -0.447
113 1HB LEU 16 1HB LEU 16 -0.443 -5.247 1.832
114 2HB LEU 16 2HB LEU 16 -2.128 -5.501 1.368
115 HG LEU 16 HG LEU 16 0.165 -5.847 -0.613
116 1HD1 LEU 16 3HD1 LEU 16 0.483 -7.385 1.303
117 2HD1 LEU 16 1HD1 LEU 16 -1.189 -7.955 1.123
118 3HD1 LEU 16 2HD1 LEU 16 0.002 -8.261 -0.160
119 1HD2 LEU 16 2HD2 LEU 16 -2.724 -6.828 -0.595
120 2HD2 LEU 16 3HD2 LEU 16 -2.053 -5.577 -1.662
121 3HD2 LEU 16 1HD2 LEU 16 -1.498 -7.247 -1.807
122 H HIS 17 H HIS 17 -0.316 -2.852 2.717
123 HA HIS 17 HA HIS 17 -2.645 -2.062 4.070
124 1HB HIS 17 1HB HIS 17 -0.512 -2.350 5.176
125 2HB HIS 17 2HB HIS 17 0.227 -1.082 4.198
126 HD1 HIS 17 HD1 HIS 17 -3.160 -0.344 5.655
127 HD2 HIS 17 HD2 HIS 17 0.876 0.330 6.559
128 HE1 HIS 17 HE1 HIS 17 -3.070 1.460 7.449
129 H LYS 18 H LYS 18 -0.401 -0.078 2.089
130 HA LYS 18 HA LYS 18 -1.646 2.399 2.390
131 1HB LYS 18 1HB LYS 18 0.608 2.118 1.556
132 2HB LYS 18 2HB LYS 18 0.015 1.271 0.115
133 1HG LYS 18 1HG LYS 18 -1.090 3.326 -0.672
134 2HG LYS 18 2HG LYS 18 -0.672 4.151 0.835
135 1HD LYS 18 1HD LYS 18 0.818 4.794 -1.018
136 2HD LYS 18 2HD LYS 18 1.699 4.048 0.321
137 1HE LYS 18 1HE LYS 18 2.500 3.305 -1.910
138 2HE LYS 18 2HE LYS 18 1.939 1.958 -0.917
139 1HZ LYS 18 3HZ LYS 18 0.400 3.277 -3.043
140 2HZ LYS 18 1HZ LYS 18 1.158 1.817 -3.161
141 3HZ LYS 18 2HZ LYS 18 -0.117 2.002 -2.133
142 H LEU 19 H LEU 19 -2.021 0.088 -0.398
143 HA LEU 19 HA LEU 19 -4.025 1.734 -1.616
144 1HB LEU 19 1HB LEU 19 -4.264 0.031 -3.259
145 2HB LEU 19 2HB LEU 19 -2.566 0.268 -2.865
146 HG LEU 19 HG LEU 19 -2.977 -1.801 -1.232
147 1HD1 LEU 19 2HD1 LEU 19 -5.060 -2.259 -3.422
148 2HD1 LEU 19 3HD1 LEU 19 -4.505 -3.465 -2.245
149 3HD1 LEU 19 1HD1 LEU 19 -5.428 -2.064 -1.701
150 1HD2 LEU 19 3HD2 LEU 19 -1.377 -1.716 -3.113
151 2HD2 LEU 19 1HD2 LEU 19 -2.203 -3.281 -3.044
152 3HD2 LEU 19 2HD2 LEU 19 -2.692 -2.071 -4.251
153 H GLN 20 H GLN 20 -4.261 -0.846 0.811
154 HA GLN 20 HA GLN 20 -7.027 -1.363 0.510
155 1HB GLN 20 1HB GLN 20 -5.520 -2.770 1.805
156 2HB GLN 20 2HB GLN 20 -5.316 -1.486 3.013
157 1HG GLN 20 1HG GLN 20 -7.783 -1.614 3.471
158 2HG GLN 20 2HG GLN 20 -7.920 -2.891 2.254
159 1HE2 GLN 20 1HE2 GLN 20 -7.822 -4.821 5.320
160 2HE2 GLN 20 2HE2 GLN 20 -8.915 -3.903 4.308
161 H THR 21 H THR 21 -5.292 1.229 2.302
162 HA THR 21 HA THR 21 -7.873 2.607 2.805
163 HB THR 21 HB THR 21 -6.382 2.777 4.607
164 HG1 THR 21 HG1 THR 21 -7.658 4.552 4.019
165 1HG2 THR 21 2HG2 THR 21 -4.162 2.516 3.543
166 2HG2 THR 21 3HG2 THR 21 -4.299 4.150 2.861
167 3HG2 THR 21 1HG2 THR 21 -4.264 3.916 4.610
168 H TYR 22 H TYR 22 -8.258 2.362 0.445
169 HA TYR 22 HA TYR 22 -6.933 3.671 -1.572
170 1HB TYR 22 1HB TYR 22 -9.926 3.359 -1.151
171 2HB TYR 22 2HB TYR 22 -9.192 3.822 -2.674
172 HD1 TYR 22 HD1 TYR 22 -7.806 2.215 -3.974
173 HD2 TYR 22 HD2 TYR 22 -9.875 1.030 -0.381
174 HE1 TYR 22 HE1 TYR 22 -7.409 -0.168 -4.526
175 HE2 TYR 22 HE2 TYR 22 -9.476 -1.346 -0.933
176 HH TYR 22 HH TYR 22 -8.510 -2.834 -2.397
177 HA PRO 23 HA PRO 23 -7.256 7.937 -0.532
178 1HB PRO 23 1HB PRO 23 -6.951 9.193 -2.944
179 2HB PRO 23 2HB PRO 23 -5.654 8.256 -2.150
180 1HG PRO 23 1HG PRO 23 -7.546 7.301 -4.312
181 2HG PRO 23 2HG PRO 23 -5.765 7.149 -4.268
182 1HD PRO 23 2HD PRO 23 -7.396 5.118 -3.486
183 2HD PRO 23 1HD PRO 23 -5.876 5.441 -2.603
184 H ARG 24 H ARG 24 -9.467 6.804 -3.109
185 HA ARG 24 HA ARG 24 -11.507 8.829 -2.278
186 1HB ARG 24 1HB ARG 24 -10.798 7.917 -5.098
187 2HB ARG 24 2HB ARG 24 -12.109 9.025 -4.656
188 1HG ARG 24 1HG ARG 24 -10.428 10.599 -3.689
189 2HG ARG 24 2HG ARG 24 -9.130 9.539 -4.277
190 1HD ARG 24 1HD ARG 24 -9.963 9.781 -6.590
191 2HD ARG 24 2HD ARG 24 -11.233 10.879 -6.034
192 HE ARG 24 HE ARG 24 -8.408 11.440 -6.449
193 1HH1 ARG 24 2HH2 ARG 24 -11.281 12.518 -4.634
194 2HH1 ARG 24 1HH2 ARG 24 -10.661 14.136 -4.412
195 1HH2 ARG 24 1HH1 ARG 24 -7.639 13.555 -6.133
196 2HH2 ARG 24 2HH1 ARG 24 -8.601 14.724 -5.257
197 H THR 25 H THR 25 -13.642 8.242 -3.274
198 HA THR 25 HA THR 25 -15.487 7.005 -3.138
199 HB THR 25 HB THR 25 -15.561 5.064 -4.650
200 HG1 THR 25 HG1 THR 25 -13.659 4.516 -5.763
201 1HG2 THR 25 1HG2 THR 25 -15.727 7.378 -5.527
202 2HG2 THR 25 2HG2 THR 25 -13.965 7.408 -5.770
203 3HG2 THR 25 3HG2 THR 25 -14.969 6.269 -6.685
204 H ASP 26 H ASP 26 -14.007 3.872 -3.223
205 HA ASP 26 HA ASP 26 -15.204 3.204 -0.626
206 1HB ASP 26 1HB ASP 26 -13.752 1.525 -2.711
207 2HB ASP 26 2HB ASP 26 -14.582 0.907 -1.273
208 H VAL 27 H VAL 27 -13.711 4.732 0.477
209 HA VAL 27 HA VAL 27 -10.927 4.495 0.561
210 HB VAL 27 HB VAL 27 -12.904 5.470 2.651
211 1HG1 VAL 27 1HG1 VAL 27 -9.873 5.810 2.553
212 2HG1 VAL 27 2HG1 VAL 27 -10.969 6.709 3.618
213 3HG1 VAL 27 3HG1 VAL 27 -10.799 4.963 3.808
214 1HG2 VAL 27 3HG2 VAL 27 -11.171 6.937 0.605
215 2HG2 VAL 27 1HG2 VAL 27 -12.931 6.734 0.514
216 3HG2 VAL 27 2HG2 VAL 27 -12.224 7.701 1.812
217 H GLY 28 H GLY 28 -13.305 3.104 2.894
218 1HA GLY 28 2HA GLY 28 -13.256 1.142 4.071
219 2HA GLY 28 1HA GLY 28 -11.842 0.628 3.139
220 H ALA 29 H ALA 29 -10.397 0.010 4.700
221 HA ALA 29 HA ALA 29 -9.276 2.019 6.511
222 1HB ALA 29 1HB ALA 29 -10.600 -0.518 7.572
223 2HB ALA 29 2HB ALA 29 -9.580 0.590 8.515
224 3HB ALA 29 3HB ALA 29 -11.135 1.149 7.870
225 H GLY 30 H GLY 30 -7.136 1.764 6.381
226 1HA GLY 30 2HA GLY 30 -5.942 -0.444 4.971
227 2HA GLY 30 1HA GLY 30 -5.123 0.930 5.719
228 H THR 31 H THR 31 -5.670 -2.387 5.939
229 HA THR 31 HA THR 31 -5.159 -4.019 7.389
230 HB THR 31 HB THR 31 -3.166 -2.020 8.511
231 HG1 THR 31 HG1 THR 31 -1.853 -2.906 6.896
232 1HG2 THR 31 3HG2 THR 31 -3.166 -5.074 8.374
233 2HG2 THR 31 1HG2 THR 31 -1.827 -4.057 8.942
234 3HG2 THR 31 2HG2 THR 31 -3.338 -4.117 9.860
235 HA PRO 32 HA PRO 32 -7.829 -2.147 10.698
236 1HB PRO 32 1HB PRO 32 -10.045 -3.701 10.469
237 2HB PRO 32 2HB PRO 32 -9.677 -2.399 9.300
238 1HG PRO 32 1HG PRO 32 -9.053 -5.353 9.014
239 2HG PRO 32 2HG PRO 32 -9.898 -4.299 7.841
240 1HD PRO 32 1HD PRO 32 -7.232 -4.824 7.659
241 2HD PRO 32 2HD PRO 32 -7.884 -3.211 7.246
242 1HN NH2 33 1HN NH2 33 -7.886 -4.553 13.364
243 2HN NH2 33 2HN NH2 33 -8.590 -3.064 12.771
No H/Q in entry = 243
Start of MODEL 3
1 1H CYS 1 3H CYS 1 19.551 -2.068 0.744
2 2H CYS 1 1H CYS 1 18.484 -2.316 -0.488
3 3H CYS 1 2H CYS 1 18.008 -1.499 0.863
4 HA CYS 1 HA CYS 1 18.267 -3.420 2.214
5 1HB CYS 1 1HB CYS 1 16.499 -3.763 -0.221
6 2HB CYS 1 2HB CYS 1 16.481 -4.828 1.193
7 H SER 2 H SER 2 20.136 -4.563 2.384
8 HA SER 2 HA SER 2 21.238 -6.228 0.292
9 1HB SER 2 1HB SER 2 22.618 -5.324 2.112
10 2HB SER 2 2HB SER 2 21.668 -6.223 3.313
11 HG SER 2 HG SER 2 23.579 -7.315 2.692
12 H ASN 3 H ASN 3 19.407 -6.872 3.331
13 HA ASN 3 HA ASN 3 18.792 -9.624 2.587
14 1HB ASN 3 1HB ASN 3 19.153 -9.026 4.922
15 2HB ASN 3 2HB ASN 3 17.843 -7.840 4.861
16 1HD2 ASN 3 1HD2 ASN 3 16.950 -11.910 4.867
17 2HD2 ASN 3 2HD2 ASN 3 18.503 -11.349 4.286
18 H LEU 4 H LEU 4 17.660 -9.520 0.648
19 HA LEU 4 HA LEU 4 15.185 -7.944 0.417
20 1HB LEU 4 1HB LEU 4 16.554 -9.947 -1.416
21 2HB LEU 4 2HB LEU 4 15.097 -9.036 -1.838
22 HG LEU 4 HG LEU 4 17.774 -7.742 -1.150
23 1HD1 LEU 4 1HD1 LEU 4 17.934 -9.095 -3.201
24 2HD1 LEU 4 2HD1 LEU 4 16.495 -8.285 -3.859
25 3HD1 LEU 4 3HD1 LEU 4 17.987 -7.363 -3.572
26 1HD2 LEU 4 2HD2 LEU 4 15.200 -6.628 -2.366
27 2HD2 LEU 4 3HD2 LEU 4 15.873 -6.213 -0.776
28 3HD2 LEU 4 1HD2 LEU 4 16.735 -5.747 -2.244
29 H SER 5 H SER 5 14.581 -9.135 2.514
30 HA SER 5 HA SER 5 12.666 -11.258 1.800
31 1HB SER 5 1HB SER 5 14.750 -11.617 4.006
32 2HB SER 5 2HB SER 5 13.360 -12.673 3.698
33 HG SER 5 HG SER 5 14.251 -13.018 1.593
34 H THR 6 H THR 6 14.103 -9.596 4.666
35 HA THR 6 HA THR 6 11.564 -9.140 5.948
36 HB THR 6 HB THR 6 14.282 -7.827 6.378
37 HG1 THR 6 HG1 THR 6 14.432 -9.406 8.006
38 1HG2 THR 6 3HG2 THR 6 11.820 -8.014 8.175
39 2HG2 THR 6 1HG2 THR 6 13.411 -7.398 8.667
40 3HG2 THR 6 2HG2 THR 6 12.471 -6.529 7.444
41 H CYS 7 H CYS 7 13.799 -7.178 3.942
42 HA CYS 7 HA CYS 7 12.307 -4.754 3.963
43 1HB CYS 7 1HB CYS 7 14.641 -4.855 3.367
44 2HB CYS 7 2HB CYS 7 14.306 -5.916 1.996
45 H VAL 8 H VAL 8 12.300 -7.578 1.733
46 HA VAL 8 HA VAL 8 10.440 -6.531 -0.149
47 HB VAL 8 HB VAL 8 11.262 -9.359 0.607
48 1HG1 VAL 8 3HG1 VAL 8 9.478 -8.435 -1.686
49 2HG1 VAL 8 1HG1 VAL 8 10.249 -10.032 -1.585
50 3HG1 VAL 8 2HG1 VAL 8 9.045 -9.566 -0.381
51 1HG2 VAL 8 3HG2 VAL 8 12.994 -7.881 -0.437
52 2HG2 VAL 8 1HG2 VAL 8 12.533 -9.226 -1.495
53 3HG2 VAL 8 2HG2 VAL 8 11.903 -7.595 -1.804
54 H LEU 9 H LEU 9 9.969 -8.633 2.742
55 HA LEU 9 HA LEU 9 7.185 -8.934 2.544
56 1HB LEU 9 1HB LEU 9 8.578 -10.317 3.967
57 2HB LEU 9 2HB LEU 9 9.069 -8.915 4.927
58 HG LEU 9 HG LEU 9 6.763 -8.641 5.754
59 1HD1 LEU 9 2HD1 LEU 9 6.185 -11.170 4.140
60 2HD1 LEU 9 3HD1 LEU 9 5.106 -10.477 5.368
61 3HD1 LEU 9 1HD1 LEU 9 5.448 -9.571 3.892
62 1HD2 LEU 9 2HD2 LEU 9 8.387 -10.021 6.992
63 2HD2 LEU 9 3HD2 LEU 9 6.736 -10.637 7.189
64 3HD2 LEU 9 1HD2 LEU 9 7.864 -11.460 6.089
65 H GLY 10 H GLY 10 9.161 -6.455 4.244
66 1HA GLY 10 1HA GLY 10 7.050 -4.993 5.424
67 2HA GLY 10 2HA GLY 10 8.670 -4.382 5.038
68 H LYS 11 H LYS 11 8.650 -4.678 2.223
69 HA LYS 11 HA LYS 11 7.392 -2.269 1.456
70 1HB LYS 11 1HB LYS 11 9.442 -3.082 0.425
71 2HB LYS 11 2HB LYS 11 8.623 -4.517 -0.182
72 1HG LYS 11 1HG LYS 11 8.970 -2.861 -1.949
73 2HG LYS 11 2HG LYS 11 7.269 -3.220 -1.701
74 1HD LYS 11 1HD LYS 11 7.643 -0.828 -2.095
75 2HD LYS 11 2HD LYS 11 6.928 -1.105 -0.510
76 1HE LYS 11 1HE LYS 11 8.677 0.615 -0.423
77 2HE LYS 11 2HE LYS 11 9.135 -0.773 0.569
78 1HZ LYS 11 3HZ LYS 11 10.080 -0.226 -2.156
79 2HZ LYS 11 1HZ LYS 11 10.935 0.022 -0.768
80 3HZ LYS 11 2HZ LYS 11 10.529 -1.509 -1.223
81 H LEU 12 H LEU 12 6.609 -5.680 0.452
82 HA LEU 12 HA LEU 12 4.290 -4.903 -0.977
83 1HB LEU 12 1HB LEU 12 3.763 -7.212 -1.196
84 2HB LEU 12 2HB LEU 12 5.485 -6.927 -1.412
85 HG LEU 12 HG LEU 12 5.600 -7.627 1.163
86 1HD1 LEU 12 3HD1 LEU 12 3.136 -9.133 0.159
87 2HD1 LEU 12 1HD1 LEU 12 4.010 -9.453 1.668
88 3HD1 LEU 12 2HD1 LEU 12 3.122 -7.942 1.467
89 1HD2 LEU 12 3HD2 LEU 12 6.743 -8.754 -0.709
90 2HD2 LEU 12 1HD2 LEU 12 6.060 -9.932 0.423
91 3HD2 LEU 12 2HD2 LEU 12 5.242 -9.607 -1.120
92 H SER 13 H SER 13 4.712 -5.764 2.462
93 HA SER 13 HA SER 13 1.957 -5.919 3.144
94 1HB SER 13 1HB SER 13 3.729 -6.716 4.622
95 2HB SER 13 2HB SER 13 4.343 -5.060 4.831
96 HG SER 13 HG SER 13 2.949 -5.698 6.516
97 H GLN 14 H GLN 14 4.282 -3.160 3.329
98 HA GLN 14 HA GLN 14 2.527 -1.182 4.207
99 1HB GLN 14 1HB GLN 14 5.008 -1.025 4.021
100 2HB GLN 14 2HB GLN 14 4.846 -0.860 2.262
101 1HG GLN 14 1HG GLN 14 3.390 1.191 2.704
102 2HG GLN 14 2HG GLN 14 3.820 1.040 4.412
103 1HE2 GLN 14 1HE2 GLN 14 7.389 1.769 3.696
104 2HE2 GLN 14 2HE2 GLN 14 6.452 0.561 4.547
105 H GLU 15 H GLU 15 3.253 -2.173 0.828
106 HA GLU 15 HA GLU 15 1.625 -0.244 -0.450
107 1HB GLU 15 1HB GLU 15 2.654 -2.960 -1.315
108 2HB GLU 15 2HB GLU 15 1.755 -1.873 -2.389
109 1HG GLU 15 1HG GLU 15 3.400 -0.105 -2.116
110 2HG GLU 15 2HG GLU 15 4.317 -1.058 -0.949
111 H LEU 16 H LEU 16 0.855 -3.738 0.237
112 HA LEU 16 HA LEU 16 -1.716 -3.518 -0.904
113 1HB LEU 16 1HB LEU 16 -2.139 -5.712 -0.247
114 2HB LEU 16 2HB LEU 16 -0.450 -5.572 -0.707
115 HG LEU 16 HG LEU 16 -0.062 -5.326 1.913
116 1HD1 LEU 16 3HD1 LEU 16 -2.683 -6.900 1.767
117 2HD1 LEU 16 1HD1 LEU 16 -1.634 -6.783 3.188
118 3HD1 LEU 16 2HD1 LEU 16 -2.477 -5.350 2.596
119 1HD2 LEU 16 3HD2 LEU 16 0.803 -7.153 0.463
120 2HD2 LEU 16 1HD2 LEU 16 0.253 -7.765 2.030
121 3HD2 LEU 16 2HD2 LEU 16 -0.761 -7.979 0.587
122 H HIS 17 H HIS 17 -0.634 -2.947 2.436
123 HA HIS 17 HA HIS 17 -3.299 -2.668 3.539
124 1HB HIS 17 1HB HIS 17 -0.531 -1.836 4.447
125 2HB HIS 17 2HB HIS 17 -1.999 -1.401 5.332
126 HD1 HIS 17 HD1 HIS 17 -0.267 -4.603 4.113
127 HD2 HIS 17 HD2 HIS 17 -2.790 -3.234 7.162
128 HE1 HIS 17 HE1 HIS 17 -0.576 -6.518 5.755
129 H LYS 18 H LYS 18 -0.885 -0.398 2.116
130 HA LYS 18 HA LYS 18 -2.252 1.977 2.821
131 1HB LYS 18 1HB LYS 18 0.081 1.975 2.265
132 2HB LYS 18 2HB LYS 18 -0.257 1.388 0.617
133 1HG LYS 18 1HG LYS 18 -1.317 3.473 0.017
134 2HG LYS 18 2HG LYS 18 -1.324 4.019 1.702
135 1HD LYS 18 1HD LYS 18 0.378 5.146 0.366
136 2HD LYS 18 2HD LYS 18 1.101 4.257 1.706
137 1HE LYS 18 1HE LYS 18 0.925 3.018 -1.068
138 2HE LYS 18 2HE LYS 18 2.201 4.177 -0.664
139 1HZ LYS 18 2HZ LYS 18 2.895 2.795 1.109
140 2HZ LYS 18 3HZ LYS 18 1.730 1.678 0.783
141 3HZ LYS 18 1HZ LYS 18 2.924 1.964 -0.313
142 H LEU 19 H LEU 19 -2.343 0.059 -0.242
143 HA LEU 19 HA LEU 19 -4.146 1.888 -1.508
144 1HB LEU 19 1HB LEU 19 -4.238 0.310 -3.322
145 2HB LEU 19 2HB LEU 19 -2.595 0.535 -2.735
146 HG LEU 19 HG LEU 19 -3.039 -1.654 -1.342
147 1HD1 LEU 19 3HD1 LEU 19 -5.122 -1.933 -3.552
148 2HD1 LEU 19 1HD1 LEU 19 -4.488 -3.271 -2.576
149 3HD1 LEU 19 2HD1 LEU 19 -5.427 -2.001 -1.803
150 1HD2 LEU 19 2HD2 LEU 19 -2.671 -1.665 -4.366
151 2HD2 LEU 19 3HD2 LEU 19 -1.390 -1.429 -3.157
152 3HD2 LEU 19 1HD2 LEU 19 -2.221 -2.988 -3.269
153 H GLN 20 H GLN 20 -4.778 -0.319 0.986
154 HA GLN 20 HA GLN 20 -7.634 -0.654 0.240
155 1HB GLN 20 1HB GLN 20 -6.380 -2.600 1.016
156 2HB GLN 20 2HB GLN 20 -5.980 -1.800 2.534
157 1HG GLN 20 1HG GLN 20 -8.828 -2.350 1.571
158 2HG GLN 20 2HG GLN 20 -7.899 -3.453 2.590
159 1HE2 GLN 20 1HE2 GLN 20 -9.964 -0.516 4.379
160 2HE2 GLN 20 2HE2 GLN 20 -10.187 -1.003 2.713
161 H THR 21 H THR 21 -5.633 0.365 3.035
162 HA THR 21 HA THR 21 -7.788 1.565 4.431
163 HB THR 21 HB THR 21 -4.778 1.825 4.854
164 HG1 THR 21 HG1 THR 21 -6.677 -0.081 5.731
165 1HG2 THR 21 3HG2 THR 21 -7.123 2.172 6.775
166 2HG2 THR 21 1HG2 THR 21 -5.406 2.157 7.229
167 3HG2 THR 21 2HG2 THR 21 -6.035 3.461 6.210
168 H TYR 22 H TYR 22 -4.991 2.971 2.671
169 HA TYR 22 HA TYR 22 -4.333 5.066 2.205
170 1HB TYR 22 1HB TYR 22 -7.290 5.745 2.069
171 2HB TYR 22 2HB TYR 22 -5.954 6.712 1.464
172 HD1 TYR 22 HD1 TYR 22 -4.463 5.777 -0.380
173 HD2 TYR 22 HD2 TYR 22 -8.201 3.949 0.751
174 HE1 TYR 22 HE1 TYR 22 -4.557 4.614 -2.566
175 HE2 TYR 22 HE2 TYR 22 -8.301 2.800 -1.439
176 HH TYR 22 HH TYR 22 -7.255 2.430 -3.456
177 HA PRO 23 HA PRO 23 -4.788 5.941 6.730
178 1HB PRO 23 1HB PRO 23 -1.843 6.491 6.333
179 2HB PRO 23 2HB PRO 23 -2.666 5.674 7.692
180 1HG PRO 23 1HG PRO 23 -1.384 4.216 5.797
181 2HG PRO 23 2HG PRO 23 -3.005 3.703 6.369
182 1HD PRO 23 2HD PRO 23 -2.331 5.267 3.866
183 2HD PRO 23 1HD PRO 23 -3.360 3.821 4.058
184 H ARG 24 H ARG 24 -2.613 7.796 4.550
185 HA ARG 24 HA ARG 24 -2.245 9.978 4.187
186 1HB ARG 24 1HB ARG 24 -5.202 10.277 4.864
187 2HB ARG 24 2HB ARG 24 -4.187 11.469 4.037
188 1HG ARG 24 1HG ARG 24 -3.777 9.883 2.191
189 2HG ARG 24 2HG ARG 24 -4.745 8.648 3.008
190 1HD ARG 24 1HD ARG 24 -6.107 9.703 1.300
191 2HD ARG 24 2HD ARG 24 -6.739 10.083 2.903
192 HE ARG 24 HE ARG 24 -6.306 12.305 2.582
193 1HH1 ARG 24 2HH2 ARG 24 -4.506 10.495 0.093
194 2HH1 ARG 24 1HH2 ARG 24 -4.038 11.942 -0.767
195 1HH2 ARG 24 1HH1 ARG 24 -5.672 14.160 1.434
196 2HH2 ARG 24 2HH1 ARG 24 -4.695 14.016 -0.009
197 H THR 25 H THR 25 -1.223 9.214 6.494
198 HA THR 25 HA THR 25 -1.421 11.608 8.232
199 HB THR 25 HB THR 25 -1.186 10.031 10.216
200 HG1 THR 25 HG1 THR 25 -2.035 7.939 9.884
201 1HG2 THR 25 2HG2 THR 25 -3.293 11.246 9.732
202 2HG2 THR 25 3HG2 THR 25 -3.842 9.883 8.732
203 3HG2 THR 25 1HG2 THR 25 -3.576 9.658 10.469
204 H ASP 26 H ASP 26 0.283 8.480 8.443
205 HA ASP 26 HA ASP 26 2.740 9.555 7.323
206 1HB ASP 26 1HB ASP 26 2.799 10.344 9.717
207 2HB ASP 26 2HB ASP 26 2.695 8.662 10.244
208 H VAL 27 H VAL 27 1.065 7.713 6.325
209 HA VAL 27 HA VAL 27 0.752 5.630 5.605
210 HB VAL 27 HB VAL 27 3.745 5.250 6.024
211 1HG1 VAL 27 3HG1 VAL 27 1.766 4.097 3.999
212 2HG1 VAL 27 1HG1 VAL 27 3.516 3.808 4.017
213 3HG1 VAL 27 2HG1 VAL 27 2.506 3.191 5.326
214 1HG2 VAL 27 2HG2 VAL 27 2.240 6.599 3.739
215 2HG2 VAL 27 3HG2 VAL 27 3.406 7.373 4.836
216 3HG2 VAL 27 1HG2 VAL 27 3.954 6.136 3.703
217 H GLY 28 H GLY 28 -0.450 5.474 7.726
218 1HA GLY 28 2HA GLY 28 0.568 3.550 9.703
219 2HA GLY 28 1HA GLY 28 -1.043 4.276 9.609
220 H ALA 29 H ALA 29 1.091 2.115 7.699
221 HA ALA 29 HA ALA 29 -1.111 0.226 7.121
222 1HB ALA 29 3HB ALA 29 0.343 1.944 5.063
223 2HB ALA 29 1HB ALA 29 -0.555 0.477 4.656
224 3HB ALA 29 2HB ALA 29 -1.407 1.855 5.367
225 H GLY 30 H GLY 30 -0.312 -1.774 7.246
226 1HA GLY 30 2HA GLY 30 1.070 -3.565 7.159
227 2HA GLY 30 1HA GLY 30 2.078 -2.672 6.012
228 H THR 31 H THR 31 4.149 -2.433 6.714
229 HA THR 31 HA THR 31 4.930 -2.990 9.390
230 HB THR 31 HB THR 31 7.174 -1.888 8.385
231 HG1 THR 31 HG1 THR 31 7.196 -2.417 6.153
232 1HG2 THR 31 1HG2 THR 31 6.030 -4.616 7.664
233 2HG2 THR 31 2HG2 THR 31 7.748 -4.152 7.611
234 3HG2 THR 31 3HG2 THR 31 6.896 -4.204 9.162
235 HA PRO 32 HA PRO 32 5.564 1.620 10.252
236 1HB PRO 32 1HB PRO 32 4.953 3.590 8.472
237 2HB PRO 32 2HB PRO 32 6.505 2.705 8.421
238 1HG PRO 32 1HG PRO 32 4.003 2.092 6.817
239 2HG PRO 32 2HG PRO 32 5.657 2.364 6.195
240 1HD PRO 32 1HD PRO 32 4.728 -0.135 6.639
241 2HD PRO 32 2HD PRO 32 6.406 0.293 7.093
242 1HN NH2 33 1HN NH2 33 4.036 3.340 11.006
243 2HN NH2 33 2HN NH2 33 2.317 3.015 10.944
No H/Q in entry = 243
Start of MODEL 4
1 1H CYS 1 3H CYS 1 17.858 -1.887 3.678
2 2H CYS 1 1H CYS 1 17.977 -1.560 2.066
3 3H CYS 1 2H CYS 1 16.515 -1.455 2.824
4 HA CYS 1 HA CYS 1 16.495 -3.773 3.272
5 1HB CYS 1 1HB CYS 1 16.819 -2.894 0.391
6 2HB CYS 1 2HB CYS 1 16.460 -4.562 0.832
7 H SER 2 H SER 2 18.973 -3.321 0.738
8 HA SER 2 HA SER 2 20.899 -4.319 0.251
9 1HB SER 2 1HB SER 2 21.083 -5.355 3.115
10 2HB SER 2 2HB SER 2 22.359 -5.306 1.896
11 HG SER 2 HG SER 2 22.112 -3.031 1.853
12 H ASN 3 H ASN 3 19.445 -6.694 2.527
13 HA ASN 3 HA ASN 3 19.580 -8.838 0.507
14 1HB ASN 3 1HB ASN 3 18.538 -8.836 3.367
15 2HB ASN 3 2HB ASN 3 18.850 -10.260 2.368
16 1HD2 ASN 3 1HD2 ASN 3 22.461 -10.023 2.608
17 2HD2 ASN 3 2HD2 ASN 3 21.178 -10.448 1.495
18 H LEU 4 H LEU 4 17.542 -10.300 0.563
19 HA LEU 4 HA LEU 4 15.125 -8.727 -0.098
20 1HB LEU 4 1HB LEU 4 15.707 -11.701 -0.308
21 2HB LEU 4 2HB LEU 4 14.308 -10.847 -0.984
22 HG LEU 4 HG LEU 4 17.210 -10.481 -1.842
23 1HD1 LEU 4 1HD1 LEU 4 16.197 -12.624 -2.526
24 2HD1 LEU 4 2HD1 LEU 4 14.824 -11.752 -3.243
25 3HD1 LEU 4 3HD1 LEU 4 16.457 -11.554 -3.915
26 1HD2 LEU 4 2HD2 LEU 4 14.642 -9.187 -2.870
27 2HD2 LEU 4 3HD2 LEU 4 16.030 -8.352 -2.134
28 3HD2 LEU 4 1HD2 LEU 4 16.208 -9.137 -3.705
29 H SER 5 H SER 5 13.838 -11.468 0.856
30 HA SER 5 HA SER 5 12.559 -12.166 2.528
31 1HB SER 5 1HB SER 5 14.725 -13.016 3.202
32 2HB SER 5 2HB SER 5 15.075 -11.556 4.136
33 HG SER 5 HG SER 5 13.245 -12.064 5.424
34 H THR 6 H THR 6 14.090 -9.933 4.802
35 HA THR 6 HA THR 6 11.673 -8.975 5.892
36 HB THR 6 HB THR 6 14.458 -7.732 5.915
37 HG1 THR 6 HG1 THR 6 14.632 -8.933 7.841
38 1HG2 THR 6 3HG2 THR 6 12.089 -7.412 7.817
39 2HG2 THR 6 1HG2 THR 6 13.728 -6.792 8.103
40 3HG2 THR 6 2HG2 THR 6 12.766 -6.147 6.765
41 H CYS 7 H CYS 7 13.787 -7.702 3.309
42 HA CYS 7 HA CYS 7 12.560 -5.180 2.924
43 1HB CYS 7 1HB CYS 7 14.761 -5.949 2.030
44 2HB CYS 7 2HB CYS 7 13.906 -7.000 0.901
45 H VAL 8 H VAL 8 11.936 -8.394 1.440
46 HA VAL 8 HA VAL 8 9.968 -7.502 -0.422
47 HB VAL 8 HB VAL 8 10.588 -10.263 0.711
48 1HG1 VAL 8 3HG2 VAL 8 8.892 -9.444 -1.687
49 2HG1 VAL 8 1HG2 VAL 8 9.450 -11.097 -1.353
50 3HG1 VAL 8 2HG2 VAL 8 8.339 -10.306 -0.232
51 1HG2 VAL 8 2HG1 VAL 8 11.426 -8.889 -1.882
52 2HG2 VAL 8 3HG1 VAL 8 12.488 -9.226 -0.500
53 3HG2 VAL 8 1HG1 VAL 8 11.795 -10.564 -1.426
54 H LEU 9 H LEU 9 9.695 -9.188 2.739
55 HA LEU 9 HA LEU 9 6.883 -9.252 2.942
56 1HB LEU 9 1HB LEU 9 9.072 -9.087 5.043
57 2HB LEU 9 2HB LEU 9 7.379 -9.409 5.430
58 HG LEU 9 HG LEU 9 8.982 -11.176 3.526
59 1HD1 LEU 9 1HD1 LEU 9 10.079 -11.147 5.734
60 2HD1 LEU 9 2HD1 LEU 9 8.526 -11.510 6.519
61 3HD1 LEU 9 3HD1 LEU 9 9.282 -12.701 5.437
62 1HD2 LEU 9 3HD2 LEU 9 6.393 -11.623 5.079
63 2HD2 LEU 9 1HD2 LEU 9 6.535 -11.424 3.319
64 3HD2 LEU 9 2HD2 LEU 9 7.237 -12.842 4.104
65 H GLY 10 H GLY 10 9.229 -6.748 3.986
66 1HA GLY 10 2HA GLY 10 7.418 -4.962 5.226
67 2HA GLY 10 1HA GLY 10 8.980 -4.550 4.497
68 H LYS 11 H LYS 11 8.690 -5.060 1.853
69 HA LYS 11 HA LYS 11 7.418 -2.775 0.903
70 1HB LYS 11 1HB LYS 11 9.246 -3.815 -0.281
71 2HB LYS 11 2HB LYS 11 8.321 -5.300 -0.529
72 1HG LYS 11 1HG LYS 11 8.439 -4.019 -2.570
73 2HG LYS 11 2HG LYS 11 6.763 -4.130 -2.033
74 1HD LYS 11 1HD LYS 11 6.922 -1.819 -1.089
75 2HD LYS 11 2HD LYS 11 8.602 -1.717 -1.647
76 1HE LYS 11 1HE LYS 11 6.148 -2.133 -3.421
77 2HE LYS 11 2HE LYS 11 6.970 -0.586 -3.154
78 1HZ LYS 11 2HZ LYS 11 8.942 -1.533 -4.101
79 2HZ LYS 11 3HZ LYS 11 8.166 -2.960 -4.386
80 3HZ LYS 11 1HZ LYS 11 7.683 -1.591 -5.164
81 H LEU 12 H LEU 12 6.288 -6.214 0.544
82 HA LEU 12 HA LEU 12 3.901 -5.441 -0.784
83 1HB LEU 12 1HB LEU 12 3.201 -7.710 -0.645
84 2HB LEU 12 2HB LEU 12 4.907 -7.589 -1.056
85 HG LEU 12 HG LEU 12 5.234 -7.969 1.572
86 1HD1 LEU 12 2HD1 LEU 12 2.767 -8.061 2.114
87 2HD1 LEU 12 3HD1 LEU 12 2.605 -9.420 0.994
88 3HD1 LEU 12 1HD1 LEU 12 3.592 -9.583 2.458
89 1HD2 LEU 12 3HD2 LEU 12 6.113 -9.398 -0.237
90 2HD2 LEU 12 1HD2 LEU 12 5.473 -10.377 1.094
91 3HD2 LEU 12 2HD2 LEU 12 4.528 -10.181 -0.398
92 H SER 13 H SER 13 4.598 -5.925 2.692
93 HA SER 13 HA SER 13 1.911 -5.853 3.610
94 1HB SER 13 1HB SER 13 3.765 -6.627 4.994
95 2HB SER 13 2HB SER 13 4.485 -5.002 4.997
96 HG SER 13 HG SER 13 3.220 -5.421 6.853
97 H GLN 14 H GLN 14 4.348 -3.239 3.189
98 HA GLN 14 HA GLN 14 2.703 -1.062 4.006
99 1HB GLN 14 1HB GLN 14 5.113 -1.277 2.165
100 2HB GLN 14 2HB GLN 14 4.358 0.266 2.598
101 1HG GLN 14 1HG GLN 14 4.838 -0.032 4.936
102 2HG GLN 14 2HG GLN 14 5.358 -1.701 4.697
103 1HE2 GLN 14 1HE2 GLN 14 7.861 1.408 3.531
104 2HE2 GLN 14 2HE2 GLN 14 6.133 1.663 3.645
105 H GLU 15 H GLU 15 3.314 -2.537 0.783
106 HA GLU 15 HA GLU 15 1.912 -0.670 -0.761
107 1HB GLU 15 1HB GLU 15 3.501 -2.317 -1.631
108 2HB GLU 15 2HB GLU 15 2.375 -3.636 -1.269
109 1HG GLU 15 1HG GLU 15 0.746 -2.705 -2.872
110 2HG GLU 15 2HG GLU 15 1.815 -1.324 -3.176
111 H LEU 16 H LEU 16 0.722 -3.908 0.371
112 HA LEU 16 HA LEU 16 -1.889 -3.520 -0.617
113 1HB LEU 16 1HB LEU 16 -2.513 -5.515 0.471
114 2HB LEU 16 2HB LEU 16 -0.891 -5.674 -0.189
115 HG LEU 16 HG LEU 16 -0.151 -5.052 2.297
116 1HD1 LEU 16 2HD1 LEU 16 -2.483 -4.701 3.197
117 2HD1 LEU 16 3HD1 LEU 16 -2.882 -6.359 2.727
118 3HD1 LEU 16 1HD1 LEU 16 -1.661 -6.053 3.976
119 1HD2 LEU 16 3HD2 LEU 16 0.361 -7.167 1.097
120 2HD2 LEU 16 1HD2 LEU 16 -0.059 -7.465 2.791
121 3HD2 LEU 16 2HD2 LEU 16 -1.249 -7.784 1.512
122 H HIS 17 H HIS 17 -0.461 -2.641 2.532
123 HA HIS 17 HA HIS 17 -2.906 -2.004 3.855
124 1HB HIS 17 1HB HIS 17 -0.853 -2.313 5.087
125 2HB HIS 17 2HB HIS 17 -0.070 -0.979 4.229
126 HD1 HIS 17 HD1 HIS 17 -0.707 1.453 4.890
127 HD2 HIS 17 HD2 HIS 17 -2.699 -1.493 7.109
128 HE1 HIS 17 HE1 HIS 17 -1.831 2.613 6.853
129 H LYS 18 H LYS 18 -0.556 0.062 2.066
130 HA LYS 18 HA LYS 18 -1.858 2.509 2.452
131 1HB LYS 18 1HB LYS 18 0.043 1.502 0.316
132 2HB LYS 18 2HB LYS 18 -0.573 3.165 0.330
133 1HG LYS 18 1HG LYS 18 0.376 3.631 2.481
134 2HG LYS 18 2HG LYS 18 0.771 1.941 2.767
135 1HD LYS 18 1HD LYS 18 2.783 3.182 2.178
136 2HD LYS 18 2HD LYS 18 2.427 1.949 0.963
137 1HE LYS 18 1HE LYS 18 3.175 4.052 -0.066
138 2HE LYS 18 2HE LYS 18 1.525 3.662 -0.564
139 1HZ LYS 18 3HZ LYS 18 2.281 5.568 1.540
140 2HZ LYS 18 1HZ LYS 18 1.787 5.958 0.016
141 3HZ LYS 18 2HZ LYS 18 0.740 5.230 1.059
142 H LEU 19 H LEU 19 -2.185 0.243 -0.364
143 HA LEU 19 HA LEU 19 -4.104 1.948 -1.650
144 1HB LEU 19 1HB LEU 19 -4.365 0.225 -3.279
145 2HB LEU 19 2HB LEU 19 -2.672 0.488 -2.879
146 HG LEU 19 HG LEU 19 -3.071 -1.573 -1.226
147 1HD1 LEU 19 3HD1 LEU 19 -5.098 -2.096 -3.452
148 2HD1 LEU 19 1HD1 LEU 19 -4.554 -3.268 -2.237
149 3HD1 LEU 19 2HD1 LEU 19 -5.511 -1.870 -1.746
150 1HD2 LEU 19 2HD2 LEU 19 -1.437 -1.480 -3.075
151 2HD2 LEU 19 3HD2 LEU 19 -2.251 -3.053 -3.034
152 3HD2 LEU 19 1HD2 LEU 19 -2.725 -1.840 -4.242
153 H GLN 20 H GLN 20 -4.437 -0.661 0.749
154 HA GLN 20 HA GLN 20 -7.245 -1.081 0.365
155 1HB GLN 20 1HB GLN 20 -5.840 -2.696 1.483
156 2HB GLN 20 2HB GLN 20 -5.454 -1.548 2.781
157 1HG GLN 20 1HG GLN 20 -7.847 -1.516 3.448
158 2HG GLN 20 2HG GLN 20 -8.225 -2.648 2.138
159 1HE2 GLN 20 1HE2 GLN 20 -6.632 -5.477 3.760
160 2HE2 GLN 20 2HE2 GLN 20 -6.921 -4.768 2.185
161 H THR 21 H THR 21 -5.414 0.870 2.784
162 HA THR 21 HA THR 21 -7.752 2.034 3.964
163 HB THR 21 HB THR 21 -6.099 3.519 5.084
164 HG1 THR 21 HG1 THR 21 -3.891 3.080 4.667
165 1HG2 THR 21 2HG2 THR 21 -6.629 1.281 6.011
166 2HG2 THR 21 3HG2 THR 21 -5.288 0.575 5.084
167 3HG2 THR 21 1HG2 THR 21 -4.961 1.774 6.350
168 H TYR 22 H TYR 22 -5.490 3.100 1.424
169 HA TYR 22 HA TYR 22 -7.177 5.491 0.839
170 1HB TYR 22 1HB TYR 22 -5.343 6.067 2.362
171 2HB TYR 22 2HB TYR 22 -4.172 5.420 1.226
172 HD1 TYR 22 HD2 TYR 22 -6.961 7.936 1.499
173 HD2 TYR 22 HD1 TYR 22 -3.191 6.926 -0.337
174 HE1 TYR 22 HE2 TYR 22 -6.785 10.233 0.594
175 HE2 TYR 22 HE1 TYR 22 -3.017 9.225 -1.238
176 HH TYR 22 HH TYR 22 -5.522 11.716 -0.634
177 HA PRO 23 HA PRO 23 -6.072 2.944 -2.925
178 1HB PRO 23 1HB PRO 23 -8.531 3.013 -4.149
179 2HB PRO 23 2HB PRO 23 -8.090 1.828 -2.892
180 1HG PRO 23 1HG PRO 23 -9.610 4.417 -2.531
181 2HG PRO 23 2HG PRO 23 -10.030 2.798 -1.900
182 1HD PRO 23 1HD PRO 23 -8.777 4.639 -0.368
183 2HD PRO 23 2HD PRO 23 -8.329 2.914 -0.246
184 H ARG 24 H ARG 24 -4.988 4.066 -4.391
185 HA ARG 24 HA ARG 24 -4.268 5.604 -5.822
186 1HB ARG 24 1HB ARG 24 -6.306 5.054 -7.024
187 2HB ARG 24 2HB ARG 24 -7.216 6.300 -6.170
188 1HG ARG 24 1HG ARG 24 -5.729 8.045 -7.152
189 2HG ARG 24 2HG ARG 24 -4.830 6.779 -8.012
190 1HD ARG 24 1HD ARG 24 -6.851 6.159 -9.253
191 2HD ARG 24 2HD ARG 24 -7.821 7.294 -8.290
192 HE ARG 24 HE ARG 24 -5.683 8.713 -9.515
193 1HH1 ARG 24 2HH2 ARG 24 -8.735 7.103 -10.392
194 2HH1 ARG 24 1HH2 ARG 24 -9.046 8.186 -11.731
195 1HH2 ARG 24 1HH1 ARG 24 -6.128 10.105 -11.280
196 2HH2 ARG 24 2HH1 ARG 24 -7.578 9.874 -12.233
197 H THR 25 H THR 25 -6.894 7.770 -4.826
198 HA THR 25 HA THR 25 -5.140 9.368 -3.080
199 HB THR 25 HB THR 25 -5.795 11.435 -4.373
200 HG1 THR 25 HG1 THR 25 -6.586 11.146 -6.437
201 1HG2 THR 25 2HG2 THR 25 -3.544 10.429 -4.654
202 2HG2 THR 25 3HG2 THR 25 -4.152 9.492 -6.038
203 3HG2 THR 25 1HG2 THR 25 -4.139 11.260 -6.104
204 H ASP 26 H ASP 26 -6.615 11.385 -2.412
205 HA ASP 26 HA ASP 26 -8.908 10.494 -1.015
206 1HB ASP 26 1HB ASP 26 -7.618 12.490 -0.404
207 2HB ASP 26 2HB ASP 26 -8.071 13.284 -1.917
208 H VAL 27 H VAL 27 -8.579 12.322 -4.087
209 HA VAL 27 HA VAL 27 -11.097 11.130 -5.063
210 HB VAL 27 HB VAL 27 -11.754 13.312 -4.261
211 1HG1 VAL 27 1HG1 VAL 27 -9.564 14.508 -4.368
212 2HG1 VAL 27 2HG1 VAL 27 -9.711 14.575 -6.140
213 3HG1 VAL 27 3HG1 VAL 27 -10.892 15.403 -5.117
214 1HG2 VAL 27 1HG2 VAL 27 -12.766 12.415 -6.339
215 2HG2 VAL 27 2HG2 VAL 27 -12.740 14.188 -6.312
216 3HG2 VAL 27 3HG2 VAL 27 -11.568 13.303 -7.305
217 H GLY 28 H GLY 28 -10.764 10.199 -6.967
218 1HA GLY 28 2HA GLY 28 -8.110 10.251 -8.158
219 2HA GLY 28 1HA GLY 28 -9.491 9.236 -8.590
220 H ALA 29 H ALA 29 -8.600 12.700 -8.632
221 HA ALA 29 HA ALA 29 -8.769 14.359 -10.104
222 1HB ALA 29 2HB ALA 29 -7.259 13.020 -11.433
223 2HB ALA 29 3HB ALA 29 -8.599 12.143 -12.186
224 3HB ALA 29 1HB ALA 29 -8.393 13.880 -12.491
225 H GLY 30 H GLY 30 -10.650 12.168 -12.193
226 1HA GLY 30 2HA GLY 30 -13.237 13.014 -11.326
227 2HA GLY 30 1HA GLY 30 -12.753 13.904 -12.788
228 H THR 31 H THR 31 -12.778 12.831 -14.761
229 HA THR 31 HA THR 31 -13.888 10.156 -14.871
230 HB THR 31 HB THR 31 -13.848 10.408 -17.279
231 HG1 THR 31 HG1 THR 31 -12.051 11.695 -17.568
232 1HG2 THR 31 3HG2 THR 31 -15.753 11.275 -15.947
233 2HG2 THR 31 1HG2 THR 31 -14.965 12.868 -15.863
234 3HG2 THR 31 2HG2 THR 31 -15.482 12.213 -17.428
235 HA PRO 32 HA PRO 32 -9.617 8.844 -16.400
236 1HB PRO 32 1HB PRO 32 -7.352 10.246 -16.051
237 2HB PRO 32 2HB PRO 32 -8.522 10.700 -17.325
238 1HG PRO 32 1HG PRO 32 -8.261 11.890 -14.552
239 2HG PRO 32 2HG PRO 32 -8.321 12.763 -16.109
240 1HD PRO 32 1HD PRO 32 -10.500 12.363 -14.524
241 2HD PRO 32 2HD PRO 32 -10.620 12.440 -16.304
242 1HN NH2 33 1HN NH2 33 -7.802 7.702 -15.270
243 2HN NH2 33 2HN NH2 33 -7.823 7.614 -13.522
No H/Q in entry = 243
Start of MODEL 5
1 1H CYS 1 2H CYS 1 18.050 -1.911 2.959
2 2H CYS 1 3H CYS 1 18.031 -1.143 1.499
3 3H CYS 1 1H CYS 1 16.720 -1.052 2.496
4 HA CYS 1 HA CYS 1 16.317 -3.363 2.303
5 1HB CYS 1 1HB CYS 1 15.274 -1.704 0.761
6 2HB CYS 1 2HB CYS 1 16.566 -2.000 -0.397
7 H SER 2 H SER 2 18.764 -3.867 2.980
8 HA SER 2 HA SER 2 20.478 -4.818 0.830
9 1HB SER 2 1HB SER 2 20.627 -5.143 3.858
10 2HB SER 2 2HB SER 2 21.883 -5.628 2.700
11 HG SER 2 HG SER 2 20.857 -3.008 3.065
12 H ASN 3 H ASN 3 18.837 -6.449 3.594
13 HA ASN 3 HA ASN 3 19.023 -9.073 2.370
14 1HB ASN 3 1HB ASN 3 19.178 -8.840 4.774
15 2HB ASN 3 2HB ASN 3 17.622 -8.002 4.847
16 1HD2 ASN 3 1HD2 ASN 3 17.600 -12.082 3.987
17 2HD2 ASN 3 2HD2 ASN 3 18.910 -11.079 3.404
18 H LEU 4 H LEU 4 17.798 -9.460 0.605
19 HA LEU 4 HA LEU 4 15.166 -8.224 0.206
20 1HB LEU 4 1HB LEU 4 16.674 -10.236 -1.499
21 2HB LEU 4 2HB LEU 4 15.266 -9.271 -1.973
22 HG LEU 4 HG LEU 4 18.070 -8.242 -1.345
23 1HD1 LEU 4 1HD1 LEU 4 17.806 -9.364 -3.527
24 2HD1 LEU 4 2HD1 LEU 4 16.450 -8.284 -3.922
25 3HD1 LEU 4 3HD1 LEU 4 18.087 -7.624 -3.717
26 1HD2 LEU 4 1HD2 LEU 4 15.541 -6.695 -2.065
27 2HD2 LEU 4 2HD2 LEU 4 16.496 -6.545 -0.571
28 3HD2 LEU 4 3HD2 LEU 4 17.184 -6.024 -2.111
29 H SER 5 H SER 5 14.796 -9.445 2.415
30 HA SER 5 HA SER 5 12.876 -11.560 1.767
31 1HB SER 5 1HB SER 5 14.875 -12.870 2.331
32 2HB SER 5 2HB SER 5 15.058 -11.985 3.856
33 HG SER 5 HG SER 5 13.939 -13.957 4.111
34 H THR 6 H THR 6 14.494 -9.895 4.537
35 HA THR 6 HA THR 6 12.087 -9.286 5.961
36 HB THR 6 HB THR 6 14.831 -7.952 5.985
37 HG1 THR 6 HG1 THR 6 15.097 -9.303 7.795
38 1HG2 THR 6 3HG2 THR 6 12.528 -7.826 7.987
39 2HG2 THR 6 1HG2 THR 6 14.168 -7.203 8.266
40 3HG2 THR 6 2HG2 THR 6 13.149 -6.469 7.018
41 H CYS 7 H CYS 7 14.092 -7.458 3.571
42 HA CYS 7 HA CYS 7 12.577 -5.078 3.619
43 1HB CYS 7 1HB CYS 7 14.786 -5.176 2.608
44 2HB CYS 7 2HB CYS 7 14.200 -6.286 1.359
45 H VAL 8 H VAL 8 12.381 -7.813 1.238
46 HA VAL 8 HA VAL 8 10.343 -6.621 -0.247
47 HB VAL 8 HB VAL 8 11.890 -8.411 -0.992
48 1HG1 VAL 8 2HG2 VAL 8 11.568 -9.966 0.904
49 2HG1 VAL 8 3HG2 VAL 8 9.943 -10.362 0.303
50 3HG1 VAL 8 1HG2 VAL 8 11.373 -10.741 -0.675
51 1HG2 VAL 8 3HG1 VAL 8 9.932 -7.711 -2.337
52 2HG2 VAL 8 1HG1 VAL 8 10.307 -9.430 -2.556
53 3HG2 VAL 8 2HG1 VAL 8 8.938 -8.948 -1.536
54 H LEU 9 H LEU 9 10.049 -8.900 2.511
55 HA LEU 9 HA LEU 9 7.212 -9.197 2.434
56 1HB LEU 9 1HB LEU 9 9.233 -9.273 4.696
57 2HB LEU 9 2HB LEU 9 7.518 -9.613 4.940
58 HG LEU 9 HG LEU 9 9.240 -11.184 2.975
59 1HD1 LEU 9 3HD1 LEU 9 10.081 -11.429 5.313
60 2HD1 LEU 9 1HD1 LEU 9 8.447 -11.875 5.840
61 3HD1 LEU 9 2HD1 LEU 9 9.339 -12.922 4.715
62 1HD2 LEU 9 1HD2 LEU 9 6.496 -11.714 4.201
63 2HD2 LEU 9 2HD2 LEU 9 6.836 -11.368 2.492
64 3HD2 LEU 9 3HD2 LEU 9 7.418 -12.867 3.216
65 H GLY 10 H GLY 10 9.328 -6.723 3.936
66 1HA GLY 10 2HA GLY 10 7.350 -5.172 5.229
67 2HA GLY 10 1HA GLY 10 8.907 -4.596 4.612
68 H LYS 11 H LYS 11 8.744 -4.871 1.909
69 HA LYS 11 HA LYS 11 7.336 -2.573 1.129
70 1HB LYS 11 1HB LYS 11 8.450 -4.875 -0.518
71 2HB LYS 11 2HB LYS 11 7.872 -3.362 -1.216
72 1HG LYS 11 1HG LYS 11 10.123 -3.477 0.835
73 2HG LYS 11 2HG LYS 11 10.364 -3.580 -0.912
74 1HD LYS 11 1HD LYS 11 9.321 -1.350 -1.201
75 2HD LYS 11 2HD LYS 11 9.046 -1.247 0.547
76 1HE LYS 11 1HE LYS 11 11.021 0.024 -0.004
77 2HE LYS 11 2HE LYS 11 11.493 -1.393 0.949
78 1HZ LYS 11 3HZ LYS 11 11.679 -1.142 -1.972
79 2HZ LYS 11 1HZ LYS 11 12.935 -1.028 -0.909
80 3HZ LYS 11 2HZ LYS 11 12.140 -2.458 -1.091
81 H LEU 12 H LEU 12 6.493 -6.035 0.434
82 HA LEU 12 HA LEU 12 4.102 -5.296 -0.935
83 1HB LEU 12 1HB LEU 12 3.593 -7.605 -1.093
84 2HB LEU 12 2HB LEU 12 5.302 -7.319 -1.391
85 HG LEU 12 HG LEU 12 5.542 -7.976 1.183
86 1HD1 LEU 12 2HD1 LEU 12 3.074 -8.275 1.612
87 2HD1 LEU 12 3HD1 LEU 12 3.031 -9.502 0.337
88 3HD1 LEU 12 1HD1 LEU 12 3.976 -9.778 1.812
89 1HD2 LEU 12 2HD2 LEU 12 5.059 -9.981 -1.058
90 2HD2 LEU 12 3HD2 LEU 12 6.590 -9.152 -0.712
91 3HD2 LEU 12 1HD2 LEU 12 5.931 -10.311 0.452
92 H SER 13 H SER 13 4.745 -6.020 2.498
93 HA SER 13 HA SER 13 2.029 -6.254 3.332
94 1HB SER 13 1HB SER 13 3.884 -7.004 4.716
95 2HB SER 13 2HB SER 13 4.489 -5.339 4.871
96 HG SER 13 HG SER 13 3.196 -5.987 6.639
97 H GLN 14 H GLN 14 4.283 -3.456 3.179
98 HA GLN 14 HA GLN 14 2.489 -1.453 4.105
99 1HB GLN 14 1HB GLN 14 4.931 -1.387 2.297
100 2HB GLN 14 2HB GLN 14 4.065 0.073 2.802
101 1HG GLN 14 1HG GLN 14 4.536 -0.313 5.122
102 2HG GLN 14 2HG GLN 14 5.149 -1.938 4.815
103 1HE2 GLN 14 1HE2 GLN 14 7.501 1.355 3.856
104 2HE2 GLN 14 2HE2 GLN 14 5.760 1.513 3.959
105 H GLU 15 H GLU 15 3.150 -2.742 0.811
106 HA GLU 15 HA GLU 15 1.652 -0.881 -0.647
107 1HB GLU 15 1HB GLU 15 3.267 -2.490 -1.591
108 2HB GLU 15 2HB GLU 15 2.129 -3.815 -1.289
109 1HG GLU 15 1HG GLU 15 0.484 -2.763 -2.812
110 2HG GLU 15 2HG GLU 15 1.585 -1.398 -3.066
111 H LEU 16 H LEU 16 0.582 -4.049 0.742
112 HA LEU 16 HA LEU 16 -2.125 -3.675 -0.185
113 1HB LEU 16 1HB LEU 16 -2.658 -5.735 0.919
114 2HB LEU 16 2HB LEU 16 -1.211 -5.839 -0.074
115 HG LEU 16 HG LEU 16 0.168 -5.642 2.045
116 1HD1 LEU 16 3HD1 LEU 16 -2.533 -6.114 3.369
117 2HD1 LEU 16 1HD1 LEU 16 -0.964 -6.400 4.150
118 3HD1 LEU 16 2HD1 LEU 16 -1.405 -4.769 3.663
119 1HD2 LEU 16 3HD2 LEU 16 -0.196 -7.755 0.848
120 2HD2 LEU 16 1HD2 LEU 16 -0.133 -8.017 2.598
121 3HD2 LEU 16 2HD2 LEU 16 -1.700 -8.020 1.758
122 H HIS 17 H HIS 17 -0.713 -1.807 2.008
123 HA HIS 17 HA HIS 17 -3.291 -1.329 3.429
124 1HB HIS 17 1HB HIS 17 -0.461 -0.658 4.320
125 2HB HIS 17 2HB HIS 17 -1.948 -0.174 5.142
126 HD1 HIS 17 HD1 HIS 17 -3.542 -2.814 5.146
127 HD2 HIS 17 HD2 HIS 17 0.540 -2.540 6.069
128 HE1 HIS 17 HE1 HIS 17 -2.952 -4.824 6.580
129 H LYS 18 H LYS 18 -0.626 -0.077 1.469
130 HA LYS 18 HA LYS 18 -1.071 2.662 1.602
131 1HB LYS 18 1HB LYS 18 0.820 1.364 0.550
132 2HB LYS 18 2HB LYS 18 -0.178 1.107 -0.872
133 1HG LYS 18 1HG LYS 18 0.641 3.807 0.307
134 2HG LYS 18 2HG LYS 18 1.506 2.976 -0.978
135 1HD LYS 18 1HD LYS 18 -1.283 4.173 -1.145
136 2HD LYS 18 2HD LYS 18 0.187 4.749 -1.912
137 1HE LYS 18 1HE LYS 18 -1.278 2.164 -2.598
138 2HE LYS 18 2HE LYS 18 -1.187 3.641 -3.560
139 1HZ LYS 18 2HZ LYS 18 1.165 3.313 -3.747
140 2HZ LYS 18 3HZ LYS 18 1.079 1.920 -2.866
141 3HZ LYS 18 1HZ LYS 18 0.335 2.013 -4.334
142 H LEU 19 H LEU 19 -2.392 0.326 -0.805
143 HA LEU 19 HA LEU 19 -4.563 2.188 -1.561
144 1HB LEU 19 1HB LEU 19 -5.297 0.115 -2.932
145 2HB LEU 19 2HB LEU 19 -3.979 1.153 -3.416
146 HG LEU 19 HG LEU 19 -2.286 -0.420 -2.684
147 1HD1 LEU 19 1HD1 LEU 19 -3.508 -1.660 -0.894
148 2HD1 LEU 19 2HD1 LEU 19 -4.574 -2.367 -2.137
149 3HD1 LEU 19 3HD1 LEU 19 -2.846 -2.732 -2.140
150 1HD2 LEU 19 3HD2 LEU 19 -3.101 -0.428 -4.985
151 2HD2 LEU 19 1HD2 LEU 19 -2.671 -2.064 -4.464
152 3HD2 LEU 19 2HD2 LEU 19 -4.379 -1.584 -4.552
153 H GLN 20 H GLN 20 -5.690 -1.012 -1.257
154 HA GLN 20 HA GLN 20 -6.918 -2.152 0.179
155 1HB GLN 20 1HB GLN 20 -5.013 -1.685 1.696
156 2HB GLN 20 2HB GLN 20 -5.891 -0.320 2.391
157 1HG GLN 20 1HG GLN 20 -7.710 -1.840 3.106
158 2HG GLN 20 2HG GLN 20 -6.852 -3.208 2.374
159 1HE2 GLN 20 1HE2 GLN 20 -5.301 -1.444 5.819
160 2HE2 GLN 20 2HE2 GLN 20 -6.256 -0.494 4.702
161 H THR 21 H THR 21 -7.233 1.144 1.561
162 HA THR 21 HA THR 21 -10.139 0.954 1.690
163 HB THR 21 HB THR 21 -8.178 3.183 2.389
164 HG1 THR 21 HG1 THR 21 -8.587 2.417 4.487
165 1HG2 THR 21 3HG2 THR 21 -11.148 2.838 3.016
166 2HG2 THR 21 1HG2 THR 21 -10.080 4.053 3.752
167 3HG2 THR 21 2HG2 THR 21 -10.414 4.114 2.017
168 H TYR 22 H TYR 22 -7.817 3.261 0.183
169 HA TYR 22 HA TYR 22 -9.207 3.388 -2.321
170 1HB TYR 22 1HB TYR 22 -9.702 5.613 -0.319
171 2HB TYR 22 2HB TYR 22 -9.708 5.920 -2.048
172 HD1 TYR 22 HD2 TYR 22 -11.171 4.237 -3.513
173 HD2 TYR 22 HD1 TYR 22 -11.852 5.244 0.623
174 HE1 TYR 22 HE2 TYR 22 -13.498 3.395 -3.686
175 HE2 TYR 22 HE1 TYR 22 -14.159 4.371 0.455
176 HH TYR 22 HH TYR 22 -15.453 2.947 -2.570
177 HA PRO 23 HA PRO 23 -5.884 6.856 -2.155
178 1HB PRO 23 1HB PRO 23 -3.977 5.689 -0.116
179 2HB PRO 23 2HB PRO 23 -4.248 7.398 -0.561
180 1HG PRO 23 1HG PRO 23 -5.439 6.392 1.637
181 2HG PRO 23 2HG PRO 23 -6.414 7.370 0.497
182 1HD PRO 23 1HD PRO 23 -6.226 4.353 0.677
183 2HD PRO 23 2HD PRO 23 -7.681 5.392 0.611
184 H ARG 24 H ARG 24 -5.391 6.279 -4.197
185 HA ARG 24 HA ARG 24 -2.797 5.351 -4.844
186 1HB ARG 24 1HB ARG 24 -3.511 3.327 -6.213
187 2HB ARG 24 2HB ARG 24 -3.501 3.103 -4.486
188 1HG ARG 24 1HG ARG 24 -5.800 3.034 -4.285
189 2HG ARG 24 2HG ARG 24 -6.102 3.939 -5.783
190 1HD ARG 24 1HD ARG 24 -4.947 1.121 -5.701
191 2HD ARG 24 2HD ARG 24 -6.672 1.499 -5.847
192 HE ARG 24 HE ARG 24 -5.040 2.881 -7.808
193 1HH1 ARG 24 2HH2 ARG 24 -6.661 -0.220 -7.148
194 2HH1 ARG 24 1HH2 ARG 24 -6.892 -0.580 -8.842
195 1HH2 ARG 24 1HH1 ARG 24 -5.386 2.395 -9.998
196 2HH2 ARG 24 2HH1 ARG 24 -6.168 0.901 -10.461
197 H THR 25 H THR 25 -3.176 4.708 -7.536
198 HA THR 25 HA THR 25 -3.722 7.094 -8.874
199 HB THR 25 HB THR 25 -4.004 4.226 -9.881
200 HG1 THR 25 HG1 THR 25 -1.983 4.665 -8.955
201 1HG2 THR 25 1HG2 THR 25 -3.458 6.836 -11.370
202 2HG2 THR 25 2HG2 THR 25 -3.406 5.209 -12.080
203 3HG2 THR 25 3HG2 THR 25 -4.941 5.864 -11.490
204 H ASP 26 H ASP 26 -5.856 4.351 -8.109
205 HA ASP 26 HA ASP 26 -8.024 4.150 -7.795
206 1HB ASP 26 1HB ASP 26 -7.548 6.193 -6.409
207 2HB ASP 26 2HB ASP 26 -8.207 7.187 -7.710
208 H VAL 27 H VAL 27 -7.817 3.325 -10.059
209 HA VAL 27 HA VAL 27 -8.850 4.981 -12.218
210 HB VAL 27 HB VAL 27 -8.056 2.043 -12.104
211 1HG1 VAL 27 2HG1 VAL 27 -8.698 3.849 -14.483
212 2HG1 VAL 27 3HG1 VAL 27 -7.998 2.221 -14.587
213 3HG1 VAL 27 1HG1 VAL 27 -9.639 2.434 -13.968
214 1HG2 VAL 27 3HG2 VAL 27 -6.603 4.505 -13.167
215 2HG2 VAL 27 1HG2 VAL 27 -6.165 3.595 -11.708
216 3HG2 VAL 27 2HG2 VAL 27 -6.040 2.827 -13.294
217 H GLY 28 H GLY 28 -9.923 1.693 -11.192
218 1HA GLY 28 2HA GLY 28 -12.730 2.339 -11.862
219 2HA GLY 28 1HA GLY 28 -12.040 0.768 -11.429
220 H ALA 29 H ALA 29 -12.348 4.029 -9.978
221 HA ALA 29 HA ALA 29 -12.609 4.786 -7.892
222 1HB ALA 29 2HB ALA 29 -14.871 3.810 -8.152
223 2HB ALA 29 3HB ALA 29 -14.307 2.310 -7.385
224 3HB ALA 29 1HB ALA 29 -14.321 3.829 -6.469
225 H GLY 30 H GLY 30 -10.328 2.981 -8.538
226 1HA GLY 30 2HA GLY 30 -8.622 1.847 -7.594
227 2HA GLY 30 1HA GLY 30 -8.963 2.785 -6.127
228 H THR 31 H THR 31 -8.640 1.228 -4.607
229 HA THR 31 HA THR 31 -10.064 -1.330 -4.648
230 HB THR 31 HB THR 31 -9.108 -1.505 -2.331
231 HG1 THR 31 HG1 THR 31 -7.821 0.926 -3.029
232 1HG2 THR 31 1HG2 THR 31 -7.899 -2.384 -4.311
233 2HG2 THR 31 2HG2 THR 31 -7.062 -0.826 -4.486
234 3HG2 THR 31 3HG2 THR 31 -6.804 -1.823 -3.037
235 HA PRO 32 HA PRO 32 -13.680 0.472 -2.763
236 1HB PRO 32 1HB PRO 32 -14.868 -1.657 -1.549
237 2HB PRO 32 2HB PRO 32 -14.691 -1.548 -3.324
238 1HG PRO 32 1HG PRO 32 -12.869 -3.006 -1.385
239 2HG PRO 32 2HG PRO 32 -13.623 -3.655 -2.871
240 1HD PRO 32 1HD PRO 32 -11.078 -2.692 -2.867
241 2HD PRO 32 2HD PRO 32 -12.164 -2.401 -4.258
242 1HN NH2 33 1HN NH2 33 -14.421 1.353 -0.778
243 2HN NH2 33 2HN NH2 33 -13.536 1.171 0.721
No H/Q in entry = 243
Start of MODEL 6
1 1H CYS 1 3H CYS 1 17.901 -1.808 2.571
2 2H CYS 1 1H CYS 1 18.095 -1.367 0.994
3 3H CYS 1 2H CYS 1 16.638 -1.154 1.737
4 HA CYS 1 HA CYS 1 16.337 -3.472 1.990
5 1HB CYS 1 1HB CYS 1 15.511 -2.269 -0.022
6 2HB CYS 1 2HB CYS 1 16.988 -2.702 -0.874
7 H SER 2 H SER 2 18.187 -4.235 3.200
8 HA SER 2 HA SER 2 20.576 -5.142 1.745
9 1HB SER 2 1HB SER 2 20.778 -4.011 3.919
10 2HB SER 2 2HB SER 2 19.800 -5.280 4.686
11 HG SER 2 HG SER 2 22.048 -5.642 4.897
12 H ASN 3 H ASN 3 17.812 -6.506 3.561
13 HA ASN 3 HA ASN 3 18.747 -9.196 3.573
14 1HB ASN 3 1HB ASN 3 15.959 -8.044 3.987
15 2HB ASN 3 2HB ASN 3 16.452 -9.702 4.353
16 1HD2 ASN 3 1HD2 ASN 3 17.555 -6.614 6.863
17 2HD2 ASN 3 2HD2 ASN 3 16.907 -6.283 5.271
18 H LEU 4 H LEU 4 16.394 -7.471 1.496
19 HA LEU 4 HA LEU 4 15.125 -8.072 -0.260
20 1HB LEU 4 1HB LEU 4 17.441 -9.943 -0.918
21 2HB LEU 4 2HB LEU 4 16.015 -9.696 -1.923
22 HG LEU 4 HG LEU 4 16.521 -7.267 -2.084
23 1HD1 LEU 4 1HD1 LEU 4 19.135 -8.100 -0.745
24 2HD1 LEU 4 2HD1 LEU 4 18.922 -6.601 -1.671
25 3HD1 LEU 4 3HD1 LEU 4 17.997 -6.846 -0.193
26 1HD2 LEU 4 2HD2 LEU 4 17.097 -8.889 -3.851
27 2HD2 LEU 4 3HD2 LEU 4 18.307 -7.600 -3.752
28 3HD2 LEU 4 1HD2 LEU 4 18.661 -9.200 -3.066
29 H SER 5 H SER 5 14.460 -9.044 2.187
30 HA SER 5 HA SER 5 12.782 -11.343 1.591
31 1HB SER 5 1HB SER 5 15.057 -11.560 3.627
32 2HB SER 5 2HB SER 5 13.637 -12.623 3.599
33 HG SER 5 HG SER 5 15.445 -12.264 1.450
34 H THR 6 H THR 6 14.253 -9.712 4.452
35 HA THR 6 HA THR 6 11.771 -9.114 5.767
36 HB THR 6 HB THR 6 14.475 -7.723 5.990
37 HG1 THR 6 HG1 THR 6 14.819 -9.224 7.653
38 1HG2 THR 6 3HG2 THR 6 12.147 -7.968 7.947
39 2HG2 THR 6 1HG2 THR 6 13.724 -7.231 8.299
40 3HG2 THR 6 2HG2 THR 6 12.650 -6.485 7.104
41 H CYS 7 H CYS 7 13.956 -7.385 3.536
42 HA CYS 7 HA CYS 7 12.617 -4.927 3.234
43 1HB CYS 7 1HB CYS 7 14.825 -5.273 2.363
44 2HB CYS 7 2HB CYS 7 14.293 -6.643 1.387
45 H VAL 8 H VAL 8 12.266 -7.988 1.347
46 HA VAL 8 HA VAL 8 10.296 -7.063 -0.439
47 HB VAL 8 HB VAL 8 10.991 -9.856 0.543
48 1HG1 VAL 8 3HG2 VAL 8 9.177 -9.015 -1.756
49 2HG1 VAL 8 1HG2 VAL 8 9.844 -10.647 -1.538
50 3HG1 VAL 8 2HG2 VAL 8 8.728 -9.993 -0.338
51 1HG2 VAL 8 3HG1 VAL 8 12.776 -8.601 -0.693
52 2HG2 VAL 8 1HG1 VAL 8 12.186 -10.004 -1.595
53 3HG2 VAL 8 2HG1 VAL 8 11.650 -8.371 -2.042
54 H LEU 9 H LEU 9 9.891 -8.894 2.636
55 HA LEU 9 HA LEU 9 7.068 -8.969 2.674
56 1HB LEU 9 1HB LEU 9 9.153 -8.928 4.877
57 2HB LEU 9 2HB LEU 9 7.434 -9.166 5.202
58 HG LEU 9 HG LEU 9 8.971 -10.974 3.289
59 1HD1 LEU 9 2HD1 LEU 9 10.049 -11.055 5.512
60 2HD1 LEU 9 3HD1 LEU 9 8.471 -11.349 6.273
61 3HD1 LEU 9 1HD1 LEU 9 9.171 -12.556 5.171
62 1HD2 LEU 9 2HD2 LEU 9 6.356 -11.322 4.824
63 2HD2 LEU 9 3HD2 LEU 9 6.510 -11.083 3.071
64 3HD2 LEU 9 1HD2 LEU 9 7.137 -12.556 3.816
65 H GLY 10 H GLY 10 9.342 -6.473 3.884
66 1HA GLY 10 2HA GLY 10 7.483 -4.760 5.136
67 2HA GLY 10 1HA GLY 10 9.044 -4.294 4.441
68 H LYS 11 H LYS 11 8.737 -4.774 1.760
69 HA LYS 11 HA LYS 11 7.403 -2.455 0.855
70 1HB LYS 11 1HB LYS 11 8.530 -4.882 -0.574
71 2HB LYS 11 2HB LYS 11 7.807 -3.506 -1.427
72 1HG LYS 11 1HG LYS 11 9.430 -1.966 -0.547
73 2HG LYS 11 2HG LYS 11 10.060 -3.157 0.587
74 1HD LYS 11 1HD LYS 11 11.580 -2.902 -1.302
75 2HD LYS 11 2HD LYS 11 10.924 -4.543 -1.224
76 1HE LYS 11 1HE LYS 11 11.029 -3.712 -3.534
77 2HE LYS 11 2HE LYS 11 9.359 -4.038 -3.062
78 1HZ LYS 11 3HZ LYS 11 10.652 -1.400 -3.096
79 2HZ LYS 11 1HZ LYS 11 9.592 -1.971 -4.223
80 3HZ LYS 11 2HZ LYS 11 9.083 -1.695 -2.680
81 H LEU 12 H LEU 12 6.462 -5.938 0.406
82 HA LEU 12 HA LEU 12 4.050 -5.232 -0.940
83 1HB LEU 12 1HB LEU 12 3.474 -7.543 -0.908
84 2HB LEU 12 2HB LEU 12 5.169 -7.303 -1.314
85 HG LEU 12 HG LEU 12 5.523 -7.782 1.294
86 1HD1 LEU 12 2HD1 LEU 12 3.078 -8.046 1.839
87 2HD1 LEU 12 3HD1 LEU 12 2.982 -9.354 0.650
88 3HD1 LEU 12 1HD1 LEU 12 3.987 -9.536 2.101
89 1HD2 LEU 12 3HD2 LEU 12 6.485 -9.069 -0.580
90 2HD2 LEU 12 1HD2 LEU 12 5.910 -10.147 0.702
91 3HD2 LEU 12 2HD2 LEU 12 4.951 -9.939 -0.779
92 H SER 13 H SER 13 4.753 -5.801 2.522
93 HA SER 13 HA SER 13 2.041 -5.866 3.403
94 1HB SER 13 1HB SER 13 3.894 -6.608 4.810
95 2HB SER 13 2HB SER 13 4.566 -4.961 4.849
96 HG SER 13 HG SER 13 2.011 -5.758 5.795
97 H GLN 14 H GLN 14 4.406 -3.182 3.062
98 HA GLN 14 HA GLN 14 2.751 -1.073 3.948
99 1HB GLN 14 1HB GLN 14 5.185 -0.935 3.718
100 2HB GLN 14 2HB GLN 14 5.054 -1.077 1.956
101 1HG GLN 14 1HG GLN 14 3.811 1.068 1.869
102 2HG GLN 14 2HG GLN 14 3.853 1.166 3.638
103 1HE2 GLN 14 1HE2 GLN 14 7.343 1.786 1.446
104 2HE2 GLN 14 2HE2 GLN 14 6.069 0.772 0.804
105 H GLU 15 H GLU 15 3.253 -2.464 0.671
106 HA GLU 15 HA GLU 15 1.705 -0.591 -0.771
107 1HB GLU 15 1HB GLU 15 3.343 -2.128 -1.761
108 2HB GLU 15 2HB GLU 15 2.312 -3.515 -1.370
109 1HG GLU 15 1HG GLU 15 0.545 -2.638 -2.861
110 2HG GLU 15 2HG GLU 15 1.529 -1.203 -3.198
111 H LEU 16 H LEU 16 0.817 -3.846 0.502
112 HA LEU 16 HA LEU 16 -1.893 -3.824 -0.300
113 1HB LEU 16 1HB LEU 16 -0.431 -5.220 1.963
114 2HB LEU 16 2HB LEU 16 -2.124 -5.544 1.583
115 HG LEU 16 HG LEU 16 0.080 -5.863 -0.499
116 1HD1 LEU 16 1HD1 LEU 16 0.555 -7.332 1.441
117 2HD1 LEU 16 2HD1 LEU 16 -1.100 -7.971 1.360
118 3HD1 LEU 16 3HD1 LEU 16 0.039 -8.267 0.028
119 1HD2 LEU 16 3HD2 LEU 16 -2.761 -6.957 -0.303
120 2HD2 LEU 16 1HD2 LEU 16 -2.199 -5.709 -1.435
121 3HD2 LEU 16 2HD2 LEU 16 -1.583 -7.358 -1.568
122 H HIS 17 H HIS 17 -0.359 -2.694 2.752
123 HA HIS 17 HA HIS 17 -2.782 -1.984 4.065
124 1HB HIS 17 1HB HIS 17 -0.706 -2.226 5.285
125 2HB HIS 17 2HB HIS 17 0.045 -0.917 4.361
126 HD1 HIS 17 HD1 HIS 17 -0.053 1.342 5.425
127 HD2 HIS 17 HD2 HIS 17 -3.168 -1.136 6.738
128 HE1 HIS 17 HE1 HIS 17 -1.389 2.650 7.147
129 H LYS 18 H LYS 18 -0.580 -0.113 1.917
130 HA LYS 18 HA LYS 18 -1.756 2.407 2.276
131 1HB LYS 18 1HB LYS 18 0.436 2.054 1.278
132 2HB LYS 18 2HB LYS 18 -0.297 1.260 -0.129
133 1HG LYS 18 1HG LYS 18 -1.407 3.360 -0.773
134 2HG LYS 18 2HG LYS 18 -0.859 4.131 0.726
135 1HD LYS 18 1HD LYS 18 0.525 4.857 -1.118
136 2HD LYS 18 2HD LYS 18 1.499 3.888 -0.001
137 1HE LYS 18 1HE LYS 18 1.356 1.948 -1.517
138 2HE LYS 18 2HE LYS 18 0.249 2.838 -2.584
139 1HZ LYS 18 2HZ LYS 18 2.012 4.385 -2.996
140 2HZ LYS 18 3HZ LYS 18 3.030 3.558 -1.996
141 3HZ LYS 18 1HZ LYS 18 2.483 2.853 -3.382
142 H LEU 19 H LEU 19 -2.360 0.011 -0.375
143 HA LEU 19 HA LEU 19 -4.454 1.572 -1.533
144 1HB LEU 19 1HB LEU 19 -4.841 -0.282 -3.005
145 2HB LEU 19 2HB LEU 19 -3.129 0.075 -2.817
146 HG LEU 19 HG LEU 19 -3.236 -1.878 -1.001
147 1HD1 LEU 19 2HD1 LEU 19 -5.704 -2.303 -1.209
148 2HD1 LEU 19 3HD1 LEU 19 -5.476 -2.640 -2.933
149 3HD1 LEU 19 1HD1 LEU 19 -4.743 -3.696 -1.709
150 1HD2 LEU 19 3HD2 LEU 19 -1.827 -1.850 -3.017
151 2HD2 LEU 19 1HD2 LEU 19 -2.555 -3.447 -2.778
152 3HD2 LEU 19 2HD2 LEU 19 -3.215 -2.347 -4.007
153 H GLN 20 H GLN 20 -4.467 -0.885 1.029
154 HA GLN 20 HA GLN 20 -7.288 -1.360 1.051
155 1HB GLN 20 1HB GLN 20 -5.723 -2.864 2.118
156 2HB GLN 20 2HB GLN 20 -5.168 -1.593 3.220
157 1HG GLN 20 1HG GLN 20 -7.446 -1.504 4.236
158 2HG GLN 20 2HG GLN 20 -7.984 -2.752 3.100
159 1HE2 GLN 20 1HE2 GLN 20 -5.336 -3.746 6.167
160 2HE2 GLN 20 2HE2 GLN 20 -5.349 -2.125 5.507
161 H THR 21 H THR 21 -5.269 0.643 3.276
162 HA THR 21 HA THR 21 -7.622 2.228 4.078
163 HB THR 21 HB THR 21 -6.131 3.135 5.777
164 HG1 THR 21 HG1 THR 21 -4.002 2.258 5.911
165 1HG2 THR 21 2HG2 THR 21 -7.262 0.950 6.195
166 2HG2 THR 21 3HG2 THR 21 -5.805 0.107 5.618
167 3HG2 THR 21 1HG2 THR 21 -5.727 1.123 7.068
168 H TYR 22 H TYR 22 -7.078 2.584 1.375
169 HA TYR 22 HA TYR 22 -5.385 4.834 0.890
170 1HB TYR 22 1HB TYR 22 -5.762 3.436 -0.927
171 2HB TYR 22 2HB TYR 22 -7.506 3.456 -0.760
172 HD1 TYR 22 HD1 TYR 22 -4.573 5.685 -1.479
173 HD2 TYR 22 HD2 TYR 22 -8.821 5.081 -1.916
174 HE1 TYR 22 HE1 TYR 22 -4.760 7.843 -2.682
175 HE2 TYR 22 HE2 TYR 22 -8.996 7.209 -3.161
176 HH TYR 22 HH TYR 22 -7.908 9.146 -3.784
177 HA PRO 23 HA PRO 23 -9.553 7.309 0.843
178 1HB PRO 23 1HB PRO 23 -10.985 5.887 3.103
179 2HB PRO 23 2HB PRO 23 -11.671 6.762 1.703
180 1HG PRO 23 1HG PRO 23 -11.527 4.067 1.665
181 2HG PRO 23 2HG PRO 23 -10.998 4.984 0.220
182 1HD PRO 23 1HD PRO 23 -9.267 3.872 2.450
183 2HD PRO 23 2HD PRO 23 -9.091 3.675 0.685
184 H ARG 24 H ARG 24 -8.148 8.852 1.554
185 HA ARG 24 HA ARG 24 -8.170 9.637 4.418
186 1HB ARG 24 1HB ARG 24 -5.691 9.199 2.682
187 2HB ARG 24 2HB ARG 24 -5.717 10.125 4.196
188 1HG ARG 24 1HG ARG 24 -6.401 8.119 5.444
189 2HG ARG 24 2HG ARG 24 -6.488 7.182 3.942
190 1HD ARG 24 1HD ARG 24 -4.438 6.677 5.103
191 2HD ARG 24 2HD ARG 24 -4.089 7.447 3.559
192 HE ARG 24 HE ARG 24 -3.745 8.539 6.303
193 1HH1 ARG 24 2HH2 ARG 24 -3.398 9.189 2.805
194 2HH1 ARG 24 1HH2 ARG 24 -2.321 10.537 3.071
195 1HH2 ARG 24 1HH1 ARG 24 -2.353 10.298 6.583
196 2HH2 ARG 24 2HH1 ARG 24 -1.736 11.169 5.198
197 H THR 25 H THR 25 -6.512 10.569 1.374
198 HA THR 25 HA THR 25 -7.684 13.269 1.369
199 HB THR 25 HB THR 25 -5.946 11.771 -0.648
200 HG1 THR 25 HG1 THR 25 -4.355 13.155 0.202
201 1HG2 THR 25 3HG2 THR 25 -6.769 14.708 -0.496
202 2HG2 THR 25 1HG2 THR 25 -5.567 14.028 -1.612
203 3HG2 THR 25 2HG2 THR 25 -7.266 13.550 -1.751
204 H ASP 26 H ASP 26 -7.678 10.308 -0.635
205 HA ASP 26 HA ASP 26 -9.202 9.143 -1.683
206 1HB ASP 26 1HB ASP 26 -10.516 9.505 0.425
207 2HB ASP 26 2HB ASP 26 -11.380 10.816 -0.389
208 H VAL 27 H VAL 27 -10.477 9.036 -3.558
209 HA VAL 27 HA VAL 27 -11.254 11.543 -4.917
210 HB VAL 27 HB VAL 27 -10.373 10.732 -7.056
211 1HG1 VAL 27 3HG1 VAL 27 -9.036 12.309 -5.710
212 2HG1 VAL 27 1HG1 VAL 27 -8.158 10.947 -4.981
213 3HG1 VAL 27 2HG1 VAL 27 -8.032 11.255 -6.721
214 1HG2 VAL 27 3HG2 VAL 27 -9.003 8.522 -5.461
215 2HG2 VAL 27 1HG2 VAL 27 -10.302 8.309 -6.650
216 3HG2 VAL 27 2HG2 VAL 27 -8.721 8.909 -7.167
217 H GLY 28 H GLY 28 -12.721 11.053 -6.779
218 1HA GLY 28 2HA GLY 28 -14.022 8.517 -7.010
219 2HA GLY 28 1HA GLY 28 -14.975 9.614 -5.985
220 H ALA 29 H ALA 29 -16.131 8.778 -8.265
221 HA ALA 29 HA ALA 29 -16.521 11.229 -9.785
222 1HB ALA 29 1HB ALA 29 -14.570 10.253 -10.974
223 2HB ALA 29 2HB ALA 29 -15.454 8.725 -11.170
224 3HB ALA 29 3HB ALA 29 -16.026 10.199 -11.981
225 H GLY 30 H GLY 30 -18.277 10.906 -11.425
226 1HA GLY 30 2HA GLY 30 -19.988 8.613 -11.382
227 2HA GLY 30 1HA GLY 30 -20.606 9.861 -10.277
228 H THR 31 H THR 31 -20.470 12.170 -11.275
229 HA THR 31 HA THR 31 -20.983 12.260 -14.199
230 HB THR 31 HB THR 31 -22.861 13.437 -12.114
231 HG1 THR 31 HG1 THR 31 -24.296 11.925 -13.013
232 1HG2 THR 31 3HG2 THR 31 -22.965 13.398 -15.170
233 2HG2 THR 31 1HG2 THR 31 -24.246 13.997 -14.097
234 3HG2 THR 31 2HG2 THR 31 -22.692 14.841 -14.172
235 HA PRO 32 HA PRO 32 -17.871 15.302 -12.646
236 1HB PRO 32 1HB PRO 32 -17.217 15.072 -15.593
237 2HB PRO 32 2HB PRO 32 -16.092 15.247 -14.213
238 1HG PRO 32 1HG PRO 32 -16.483 12.808 -15.310
239 2HG PRO 32 2HG PRO 32 -16.507 12.975 -13.526
240 1HD PRO 32 1HD PRO 32 -18.877 12.843 -15.412
241 2HD PRO 32 2HD PRO 32 -18.594 11.960 -13.883
242 1HN NH2 33 1H NH2 33 -18.867 18.475 -13.935
243 2HN NH2 33 2H NH2 33 -17.732 17.591 -12.938
No H/Q in entry = 243
Start of MODEL 7
1 1H CYS 1 1H CYS 1 17.213 -1.701 3.290
2 2H CYS 1 2H CYS 1 17.976 -1.374 1.865
3 3H CYS 1 3H CYS 1 16.426 -0.864 2.107
4 HA CYS 1 HA CYS 1 15.632 -3.066 2.221
5 1HB CYS 1 1HB CYS 1 15.605 -1.904 0.092
6 2HB CYS 1 2HB CYS 1 17.241 -2.428 -0.276
7 H SER 2 H SER 2 18.776 -3.469 0.564
8 HA SER 2 HA SER 2 20.416 -4.956 0.681
9 1HB SER 2 1HB SER 2 20.875 -3.811 2.764
10 2HB SER 2 2HB SER 2 19.830 -4.910 3.674
11 HG SER 2 HG SER 2 21.213 -6.612 3.031
12 H ASN 3 H ASN 3 18.778 -6.621 3.361
13 HA ASN 3 HA ASN 3 19.020 -9.172 2.056
14 1HB ASN 3 1HB ASN 3 17.546 -8.316 4.585
15 2HB ASN 3 2HB ASN 3 17.807 -9.985 4.061
16 1HD2 ASN 3 1HD2 ASN 3 20.908 -7.808 5.716
17 2HD2 ASN 3 2HD2 ASN 3 19.430 -7.020 5.210
18 H LEU 4 H LEU 4 17.699 -9.883 0.495
19 HA LEU 4 HA LEU 4 15.088 -8.661 -0.012
20 1HB LEU 4 1HB LEU 4 16.518 -10.925 -1.445
21 2HB LEU 4 2HB LEU 4 15.114 -10.013 -2.024
22 HG LEU 4 HG LEU 4 17.942 -8.944 -1.589
23 1HD1 LEU 4 2HD1 LEU 4 17.637 -10.365 -3.584
24 2HD1 LEU 4 3HD1 LEU 4 16.286 -9.338 -4.114
25 3HD1 LEU 4 1HD1 LEU 4 17.931 -8.674 -4.026
26 1HD2 LEU 4 3HD2 LEU 4 15.419 -7.485 -2.496
27 2HD2 LEU 4 1HD2 LEU 4 16.395 -7.134 -1.049
28 3HD2 LEU 4 2HD2 LEU 4 17.070 -6.848 -2.654
29 H SER 5 H SER 5 14.635 -9.471 2.291
30 HA SER 5 HA SER 5 12.696 -11.638 2.057
31 1HB SER 5 1HB SER 5 13.537 -12.769 4.130
32 2HB SER 5 2HB SER 5 14.605 -12.953 2.729
33 HG SER 5 HG SER 5 14.951 -11.247 4.955
34 H THR 6 H THR 6 14.435 -9.642 4.497
35 HA THR 6 HA THR 6 12.105 -8.766 5.906
36 HB THR 6 HB THR 6 14.872 -7.499 5.643
37 HG1 THR 6 HG1 THR 6 13.814 -9.348 7.512
38 1HG2 THR 6 3HG2 THR 6 12.703 -7.185 7.771
39 2HG2 THR 6 1HG2 THR 6 14.354 -6.536 7.877
40 3HG2 THR 6 2HG2 THR 6 13.245 -5.926 6.637
41 H CYS 7 H CYS 7 14.079 -7.379 3.247
42 HA CYS 7 HA CYS 7 12.762 -4.907 2.980
43 1HB CYS 7 1HB CYS 7 14.927 -5.412 2.018
44 2HB CYS 7 2HB CYS 7 14.221 -6.622 0.944
45 H VAL 8 H VAL 8 12.243 -7.967 1.112
46 HA VAL 8 HA VAL 8 10.152 -6.891 -0.463
47 HB VAL 8 HB VAL 8 9.747 -9.213 -1.159
48 1HG1 VAL 8 2HG1 VAL 8 11.511 -7.821 -2.210
49 2HG1 VAL 8 3HG1 VAL 8 12.700 -8.460 -1.054
50 3HG1 VAL 8 1HG1 VAL 8 11.923 -9.544 -2.222
51 1HG2 VAL 8 2HG2 VAL 8 11.873 -9.950 0.848
52 2HG2 VAL 8 3HG2 VAL 8 10.170 -10.460 0.906
53 3HG2 VAL 8 1HG2 VAL 8 11.221 -11.025 -0.399
54 H LEU 9 H LEU 9 10.023 -8.802 2.592
55 HA LEU 9 HA LEU 9 7.177 -9.018 2.692
56 1HB LEU 9 1HB LEU 9 9.321 -8.969 4.839
57 2HB LEU 9 2HB LEU 9 7.613 -9.206 5.211
58 HG LEU 9 HG LEU 9 9.132 -11.032 3.303
59 1HD1 LEU 9 2HD1 LEU 9 10.133 -11.099 5.586
60 2HD1 LEU 9 3HD1 LEU 9 8.526 -11.408 6.270
61 3HD1 LEU 9 1HD1 LEU 9 9.283 -12.602 5.194
62 1HD2 LEU 9 3HD2 LEU 9 6.467 -11.319 4.763
63 2HD2 LEU 9 1HD2 LEU 9 6.690 -11.143 3.009
64 3HD2 LEU 9 2HD2 LEU 9 7.267 -12.596 3.825
65 H GLY 10 H GLY 10 9.440 -6.534 3.961
66 1HA GLY 10 2HA GLY 10 7.577 -4.823 5.194
67 2HA GLY 10 1HA GLY 10 9.129 -4.346 4.483
68 H LYS 11 H LYS 11 8.755 -4.923 1.797
69 HA LYS 11 HA LYS 11 7.455 -2.587 0.913
70 1HB LYS 11 1HB LYS 11 9.377 -3.665 -0.157
71 2HB LYS 11 2HB LYS 11 8.369 -5.002 -0.716
72 1HG LYS 11 1HG LYS 11 7.656 -2.129 -1.412
73 2HG LYS 11 2HG LYS 11 8.964 -2.959 -2.263
74 1HD LYS 11 1HD LYS 11 7.457 -4.726 -3.023
75 2HD LYS 11 2HD LYS 11 6.106 -4.016 -2.132
76 1HE LYS 11 1HE LYS 11 5.906 -3.393 -4.441
77 2HE LYS 11 2HE LYS 11 6.271 -1.948 -3.483
78 1HZ LYS 11 3HZ LYS 11 8.207 -3.504 -5.051
79 2HZ LYS 11 1HZ LYS 11 7.542 -2.062 -5.497
80 3HZ LYS 11 2HZ LYS 11 8.542 -2.138 -4.190
81 H LEU 12 H LEU 12 6.462 -6.062 0.507
82 HA LEU 12 HA LEU 12 4.069 -5.339 -0.860
83 1HB LEU 12 1HB LEU 12 3.467 -7.632 -0.832
84 2HB LEU 12 2HB LEU 12 5.178 -7.433 -1.189
85 HG LEU 12 HG LEU 12 5.454 -7.913 1.423
86 1HD1 LEU 12 2HD2 LEU 12 2.987 -8.095 1.913
87 2HD1 LEU 12 3HD2 LEU 12 2.879 -9.408 0.732
88 3HD1 LEU 12 1HD2 LEU 12 3.844 -9.609 2.207
89 1HD2 LEU 12 2HD1 LEU 12 4.858 -10.056 -0.658
90 2HD2 LEU 12 3HD1 LEU 12 6.423 -9.256 -0.409
91 3HD2 LEU 12 1HD1 LEU 12 5.756 -10.303 0.853
92 H SER 13 H SER 13 4.733 -5.914 2.612
93 HA SER 13 HA SER 13 2.013 -5.889 3.476
94 1HB SER 13 1HB SER 13 4.582 -5.090 4.906
95 2HB SER 13 2HB SER 13 2.996 -5.272 5.684
96 HG SER 13 HG SER 13 4.275 -7.170 5.798
97 H GLN 14 H GLN 14 4.459 -3.273 3.172
98 HA GLN 14 HA GLN 14 2.870 -1.087 3.966
99 1HB GLN 14 1HB GLN 14 5.238 -0.939 3.785
100 2HB GLN 14 2HB GLN 14 5.239 -1.341 2.073
101 1HG GLN 14 1HG GLN 14 3.922 1.162 3.216
102 2HG GLN 14 2HG GLN 14 5.610 1.100 2.698
103 1HE2 GLN 14 1HE2 GLN 14 4.743 0.610 -0.852
104 2HE2 GLN 14 2HE2 GLN 14 5.761 -0.147 0.354
105 H GLU 15 H GLU 15 3.359 -2.530 0.705
106 HA GLU 15 HA GLU 15 1.883 -0.592 -0.699
107 1HB GLU 15 1HB GLU 15 3.554 -2.149 -1.678
108 2HB GLU 15 2HB GLU 15 2.440 -3.500 -1.428
109 1HG GLU 15 1HG GLU 15 2.369 -2.746 -3.744
110 2HG GLU 15 2HG GLU 15 0.809 -2.444 -2.976
111 H LEU 16 H LEU 16 0.893 -3.833 0.517
112 HA LEU 16 HA LEU 16 -1.795 -3.736 -0.414
113 1HB LEU 16 1HB LEU 16 -0.451 -5.219 1.872
114 2HB LEU 16 2HB LEU 16 -2.133 -5.493 1.411
115 HG LEU 16 HG LEU 16 0.162 -5.830 -0.568
116 1HD1 LEU 16 1HD1 LEU 16 0.485 -7.357 1.357
117 2HD1 LEU 16 2HD1 LEU 16 -1.182 -7.940 1.174
118 3HD1 LEU 16 3HD1 LEU 16 0.016 -8.243 -0.104
119 1HD2 LEU 16 2HD2 LEU 16 -2.721 -6.826 -0.551
120 2HD2 LEU 16 3HD2 LEU 16 -2.052 -5.580 -1.625
121 3HD2 LEU 16 1HD2 LEU 16 -1.490 -7.249 -1.757
122 H HIS 17 H HIS 17 -0.301 -2.663 2.675
123 HA HIS 17 HA HIS 17 -2.759 -1.951 3.945
124 1HB HIS 17 1HB HIS 17 -0.683 -2.361 5.166
125 2HB HIS 17 2HB HIS 17 0.077 -0.958 4.400
126 HD1 HIS 17 HD1 HIS 17 -0.403 1.346 5.394
127 HD2 HIS 17 HD2 HIS 17 -2.831 -1.664 7.011
128 HE1 HIS 17 HE1 HIS 17 -1.675 2.363 7.346
129 H LYS 18 H LYS 18 -0.504 -0.159 1.825
130 HA LYS 18 HA LYS 18 -1.644 2.417 2.197
131 1HB LYS 18 1HB LYS 18 0.603 2.099 1.342
132 2HB LYS 18 2HB LYS 18 0.002 1.208 -0.059
133 1HG LYS 18 1HG LYS 18 0.635 3.429 -0.703
134 2HG LYS 18 2HG LYS 18 -1.109 3.248 -0.910
135 1HD LYS 18 1HD LYS 18 -1.503 4.464 1.214
136 2HD LYS 18 2HD LYS 18 0.246 4.598 1.480
137 1HE LYS 18 1HE LYS 18 -1.282 5.779 -0.888
138 2HE LYS 18 2HE LYS 18 -0.802 6.672 0.567
139 1HZ LYS 18 2HZ LYS 18 1.473 6.191 0.046
140 2HZ LYS 18 3HZ LYS 18 1.032 5.396 -1.330
141 3HZ LYS 18 1HZ LYS 18 0.740 7.011 -1.183
142 H LEU 19 H LEU 19 -2.119 -0.093 -0.345
143 HA LEU 19 HA LEU 19 -4.202 1.337 -1.733
144 1HB LEU 19 1HB LEU 19 -3.362 -1.592 -1.713
145 2HB LEU 19 2HB LEU 19 -4.560 -0.915 -2.824
146 HG LEU 19 HG LEU 19 -1.680 0.057 -2.637
147 1HD1 LEU 19 3HD1 LEU 19 -1.756 -2.312 -3.312
148 2HD1 LEU 19 1HD1 LEU 19 -2.940 -1.923 -4.579
149 3HD1 LEU 19 2HD1 LEU 19 -1.286 -1.279 -4.673
150 1HD2 LEU 19 1HD2 LEU 19 -3.859 0.489 -4.731
151 2HD2 LEU 19 2HD2 LEU 19 -3.170 1.730 -3.660
152 3HD2 LEU 19 3HD2 LEU 19 -2.163 0.984 -4.903
153 H GLN 20 H GLN 20 -4.548 -1.816 -0.117
154 HA GLN 20 HA GLN 20 -6.053 -2.756 1.196
155 1HB GLN 20 1HB GLN 20 -5.088 -1.126 2.709
156 2HB GLN 20 2HB GLN 20 -6.358 0.049 2.348
157 1HG GLN 20 1HG GLN 20 -8.053 -1.546 3.240
158 2HG GLN 20 2HG GLN 20 -6.766 -2.717 3.576
159 1HE2 GLN 20 1HE2 GLN 20 -5.338 -0.751 6.303
160 2HE2 GLN 20 2HE2 GLN 20 -4.849 -1.720 4.930
161 H THR 21 H THR 21 -7.866 0.310 0.968
162 HA THR 21 HA THR 21 -10.287 -1.090 0.056
163 HB THR 21 HB THR 21 -9.732 1.845 0.670
164 HG1 THR 21 HG1 THR 21 -10.965 -0.212 2.179
165 1HG2 THR 21 3HG2 THR 21 -12.354 0.335 0.249
166 2HG2 THR 21 1HG2 THR 21 -12.204 2.016 0.803
167 3HG2 THR 21 2HG2 THR 21 -11.685 1.578 -0.832
168 H TYR 22 H TYR 22 -7.994 1.426 -1.035
169 HA TYR 22 HA TYR 22 -7.757 2.591 -2.935
170 1HB TYR 22 1HB TYR 22 -7.104 1.277 -4.872
171 2HB TYR 22 2HB TYR 22 -6.328 0.813 -3.372
172 HD1 TYR 22 HD1 TYR 22 -6.906 -1.330 -2.227
173 HD2 TYR 22 HD2 TYR 22 -8.340 -0.359 -6.172
174 HE1 TYR 22 HE1 TYR 22 -7.472 -3.710 -2.605
175 HE2 TYR 22 HE2 TYR 22 -8.926 -2.733 -6.541
176 HH TYR 22 HH TYR 22 -8.961 -4.858 -5.658
177 HA PRO 23 HA PRO 23 -12.268 2.737 -3.873
178 1HB PRO 23 1HB PRO 23 -11.478 5.655 -3.962
179 2HB PRO 23 2HB PRO 23 -12.987 4.928 -3.336
180 1HG PRO 23 1HG PRO 23 -11.051 5.681 -1.609
181 2HG PRO 23 2HG PRO 23 -11.846 4.091 -1.400
182 1HD PRO 23 2HD PRO 23 -9.176 4.677 -2.708
183 2HD PRO 23 1HD PRO 23 -9.596 3.429 -1.501
184 H ARG 24 H ARG 24 -13.356 3.162 -5.813
185 HA ARG 24 HA ARG 24 -11.814 3.444 -8.280
186 1HB ARG 24 1HB ARG 24 -13.745 1.890 -7.976
187 2HB ARG 24 2HB ARG 24 -14.818 3.281 -7.784
188 1HG ARG 24 1HG ARG 24 -14.025 4.051 -10.110
189 2HG ARG 24 2HG ARG 24 -13.197 2.493 -10.249
190 1HD ARG 24 1HD ARG 24 -16.184 2.928 -9.799
191 2HD ARG 24 2HD ARG 24 -15.419 2.485 -11.337
192 HE ARG 24 HE ARG 24 -14.637 0.554 -9.450
193 1HH1 ARG 24 2HH2 ARG 24 -17.642 1.638 -11.018
194 2HH1 ARG 24 1HH2 ARG 24 -18.414 0.077 -10.868
195 1HH2 ARG 24 1HH1 ARG 24 -15.679 -1.466 -9.260
196 2HH2 ARG 24 2HH1 ARG 24 -17.303 -1.683 -9.873
197 H THR 25 H THR 25 -10.944 5.558 -7.573
198 HA THR 25 HA THR 25 -10.803 7.784 -7.418
199 HB THR 25 HB THR 25 -11.753 9.085 -9.266
200 HG1 THR 25 HG1 THR 25 -12.966 7.986 -10.840
201 1HG2 THR 25 1HG2 THR 25 -9.671 7.773 -9.575
202 2HG2 THR 25 2HG2 THR 25 -10.630 6.394 -10.160
203 3HG2 THR 25 3HG2 THR 25 -10.607 7.913 -11.075
204 H ASP 26 H ASP 26 -11.721 7.678 -5.313
205 HA ASP 26 HA ASP 26 -12.810 8.679 -3.652
206 1HB ASP 26 1HB ASP 26 -14.614 10.134 -5.625
207 2HB ASP 26 2HB ASP 26 -14.368 10.477 -3.920
208 H VAL 27 H VAL 27 -15.247 7.865 -6.164
209 HA VAL 27 HA VAL 27 -17.205 6.735 -4.429
210 HB VAL 27 HB VAL 27 -16.511 6.216 -7.358
211 1HG1 VAL 27 2HG1 VAL 27 -17.888 4.354 -6.454
212 2HG1 VAL 27 3HG1 VAL 27 -19.088 5.536 -5.889
213 3HG1 VAL 27 1HG1 VAL 27 -18.769 5.343 -7.621
214 1HG2 VAL 27 3HG2 VAL 27 -18.599 8.029 -6.070
215 2HG2 VAL 27 1HG2 VAL 27 -17.138 8.567 -6.926
216 3HG2 VAL 27 2HG2 VAL 27 -18.421 7.735 -7.812
217 H GLY 28 H GLY 28 -17.405 4.625 -3.618
218 1HA GLY 28 2HA GLY 28 -15.071 3.221 -2.978
219 2HA GLY 28 1HA GLY 28 -16.722 2.601 -2.827
220 H ALA 29 H ALA 29 -17.739 1.905 -5.000
221 HA ALA 29 HA ALA 29 -15.981 1.008 -7.125
222 1HB ALA 29 2HB ALA 29 -17.197 -1.063 -5.240
223 2HB ALA 29 3HB ALA 29 -16.438 -1.416 -6.808
224 3HB ALA 29 1HB ALA 29 -15.467 -0.754 -5.485
225 H GLY 30 H GLY 30 -17.679 2.639 -7.809
226 1HA GLY 30 2HA GLY 30 -19.549 2.992 -9.143
227 2HA GLY 30 1HA GLY 30 -20.131 1.348 -8.833
228 H THR 31 H THR 31 -20.394 1.026 -6.253
229 HA THR 31 HA THR 31 -22.374 2.862 -5.245
230 HB THR 31 HB THR 31 -20.851 0.578 -3.917
231 HG1 THR 31 HG1 THR 31 -22.740 -0.571 -4.447
232 1HG2 THR 31 3HG2 THR 31 -21.937 2.067 -2.241
233 2HG2 THR 31 1HG2 THR 31 -23.479 1.909 -3.116
234 3HG2 THR 31 2HG2 THR 31 -22.741 0.493 -2.344
235 HA PRO 32 HA PRO 32 -19.187 5.596 -3.582
236 1HB PRO 32 1HB PRO 32 -20.662 7.236 -1.981
237 2HB PRO 32 2HB PRO 32 -20.757 7.270 -3.766
238 1HG PRO 32 1HG PRO 32 -22.596 5.801 -1.857
239 2HG PRO 32 2HG PRO 32 -23.057 6.902 -3.189
240 1HD PRO 32 1HD PRO 32 -23.032 4.213 -3.515
241 2HD PRO 32 2HD PRO 32 -22.471 5.285 -4.833
242 1HN NH2 33 1HN NH2 33 -18.107 4.712 -0.339
243 2HN NH2 33 2HN NH2 33 -17.798 5.589 -1.822
No H/Q in entry = 243
Start of MODEL 8
1 1H CYS 1 2H CYS 1 19.377 -1.824 0.868
2 2H CYS 1 3H CYS 1 18.406 -2.178 -0.417
3 3H CYS 1 1H CYS 1 17.802 -1.332 0.863
4 HA CYS 1 HA CYS 1 18.070 -3.179 2.313
5 1HB CYS 1 1HB CYS 1 16.469 -3.678 -0.207
6 2HB CYS 1 2HB CYS 1 16.434 -4.731 1.215
7 H SER 2 H SER 2 19.836 -4.362 2.725
8 HA SER 2 HA SER 2 21.178 -6.050 0.767
9 1HB SER 2 1HB SER 2 22.394 -5.058 2.658
10 2HB SER 2 2HB SER 2 21.351 -5.917 3.811
11 HG SER 2 HG SER 2 23.313 -7.015 3.403
12 H ASN 3 H ASN 3 19.043 -6.535 3.620
13 HA ASN 3 HA ASN 3 18.613 -9.368 3.066
14 1HB ASN 3 1HB ASN 3 17.364 -7.456 5.078
15 2HB ASN 3 2HB ASN 3 17.124 -9.212 5.037
16 1HD2 ASN 3 1HD2 ASN 3 20.442 -10.005 6.223
17 2HD2 ASN 3 2HD2 ASN 3 19.161 -10.581 5.180
18 H LEU 4 H LEU 4 17.820 -9.127 0.889
19 HA LEU 4 HA LEU 4 15.234 -7.882 0.370
20 1HB LEU 4 1HB LEU 4 16.983 -9.776 -1.244
21 2HB LEU 4 2HB LEU 4 15.512 -9.005 -1.855
22 HG LEU 4 HG LEU 4 17.960 -7.468 -0.874
23 1HD1 LEU 4 2HD1 LEU 4 18.500 -8.825 -2.856
24 2HD1 LEU 4 3HD1 LEU 4 17.091 -8.158 -3.709
25 3HD1 LEU 4 1HD1 LEU 4 18.446 -7.100 -3.258
26 1HD2 LEU 4 3HD2 LEU 4 15.479 -6.603 -2.437
27 2HD2 LEU 4 1HD2 LEU 4 15.894 -6.114 -0.781
28 3HD2 LEU 4 2HD2 LEU 4 16.901 -5.586 -2.132
29 H SER 5 H SER 5 14.296 -8.963 2.251
30 HA SER 5 HA SER 5 12.689 -11.265 1.566
31 1HB SER 5 1HB SER 5 13.546 -12.649 3.500
32 2HB SER 5 2HB SER 5 14.666 -12.539 2.133
33 HG SER 5 HG SER 5 15.702 -12.206 4.135
34 H THR 6 H THR 6 14.117 -9.726 4.483
35 HA THR 6 HA THR 6 11.620 -9.262 5.834
36 HB THR 6 HB THR 6 13.020 -7.734 7.235
37 HG1 THR 6 HG1 THR 6 15.258 -7.703 6.770
38 1HG2 THR 6 2HG2 THR 6 12.898 -10.163 7.736
39 2HG2 THR 6 3HG2 THR 6 14.312 -10.448 6.696
40 3HG2 THR 6 1HG2 THR 6 14.473 -9.470 8.167
41 H CYS 7 H CYS 7 13.787 -7.259 3.792
42 HA CYS 7 HA CYS 7 12.220 -4.883 3.817
43 1HB CYS 7 1HB CYS 7 14.558 -4.908 3.227
44 2HB CYS 7 2HB CYS 7 14.256 -5.967 1.846
45 H VAL 8 H VAL 8 12.279 -7.719 1.598
46 HA VAL 8 HA VAL 8 10.460 -6.703 -0.324
47 HB VAL 8 HB VAL 8 11.169 -9.542 0.502
48 1HG1 VAL 8 3HG1 VAL 8 9.543 -8.568 -1.888
49 2HG1 VAL 8 1HG1 VAL 8 10.225 -10.200 -1.721
50 3HG1 VAL 8 2HG1 VAL 8 8.985 -9.650 -0.591
51 1HG2 VAL 8 3HG2 VAL 8 13.006 -8.137 -0.476
52 2HG2 VAL 8 1HG2 VAL 8 12.550 -9.486 -1.527
53 3HG2 VAL 8 2HG2 VAL 8 11.993 -7.842 -1.898
54 H LEU 9 H LEU 9 9.853 -8.847 2.524
55 HA LEU 9 HA LEU 9 7.030 -8.910 2.303
56 1HB LEU 9 1HB LEU 9 8.909 -9.146 4.675
57 2HB LEU 9 2HB LEU 9 7.168 -9.408 4.810
58 HG LEU 9 HG LEU 9 8.895 -10.997 2.864
59 1HD1 LEU 9 3HD1 LEU 9 9.712 -11.344 5.176
60 2HD1 LEU 9 1HD1 LEU 9 8.058 -11.716 5.706
61 3HD1 LEU 9 2HD1 LEU 9 8.890 -12.787 4.558
62 1HD2 LEU 9 3HD2 LEU 9 6.120 -11.475 4.040
63 2HD2 LEU 9 1HD2 LEU 9 6.482 -11.057 2.352
64 3HD2 LEU 9 2HD2 LEU 9 7.012 -12.608 3.006
65 H GLY 10 H GLY 10 9.189 -6.552 3.910
66 1HA GLY 10 1HA GLY 10 7.265 -4.974 5.226
67 2HA GLY 10 2HA GLY 10 8.840 -4.431 4.626
68 H LYS 11 H LYS 11 8.649 -4.651 1.915
69 HA LYS 11 HA LYS 11 7.213 -2.327 1.136
70 1HB LYS 11 1HB LYS 11 8.566 -4.560 -0.408
71 2HB LYS 11 2HB LYS 11 7.814 -3.153 -1.188
72 1HG LYS 11 1HG LYS 11 9.308 -1.618 -0.177
73 2HG LYS 11 2HG LYS 11 9.887 -2.799 0.997
74 1HD LYS 11 1HD LYS 11 11.556 -2.391 -0.694
75 2HD LYS 11 2HD LYS 11 11.037 -4.078 -0.748
76 1HE LYS 11 1HE LYS 11 9.836 -1.980 -2.606
77 2HE LYS 11 2HE LYS 11 11.379 -2.769 -2.969
78 1HZ LYS 11 2HZ LYS 11 10.306 -4.874 -2.876
79 2HZ LYS 11 3HZ LYS 11 8.844 -4.176 -2.580
80 3HZ LYS 11 1HZ LYS 11 9.610 -3.902 -4.010
81 H LEU 12 H LEU 12 6.509 -5.830 0.664
82 HA LEU 12 HA LEU 12 4.170 -5.471 -0.915
83 1HB LEU 12 1HB LEU 12 5.070 -7.718 0.924
84 2HB LEU 12 2HB LEU 12 3.651 -7.834 -0.122
85 HG LEU 12 HG LEU 12 6.437 -7.239 -1.196
86 1HD1 LEU 12 2HD1 LEU 12 6.440 -9.426 -0.050
87 2HD1 LEU 12 3HD1 LEU 12 5.001 -9.918 -0.968
88 3HD1 LEU 12 1HD1 LEU 12 6.542 -9.630 -1.807
89 1HD2 LEU 12 2HD2 LEU 12 3.873 -8.210 -2.536
90 2HD2 LEU 12 3HD2 LEU 12 4.630 -6.617 -2.753
91 3HD2 LEU 12 1HD2 LEU 12 5.455 -8.068 -3.328
92 H SER 13 H SER 13 4.515 -6.059 2.624
93 HA SER 13 HA SER 13 1.758 -5.936 3.223
94 1HB SER 13 1HB SER 13 2.468 -5.604 5.545
95 2HB SER 13 2HB SER 13 3.402 -6.882 4.747
96 HG SER 13 HG SER 13 4.234 -4.198 5.150
97 H GLN 14 H GLN 14 4.220 -3.336 3.101
98 HA GLN 14 HA GLN 14 2.611 -1.213 4.052
99 1HB GLN 14 1HB GLN 14 5.041 -1.122 3.885
100 2HB GLN 14 2HB GLN 14 4.957 -1.210 2.114
101 1HG GLN 14 1HG GLN 14 3.756 0.961 2.064
102 2HG GLN 14 2HG GLN 14 3.784 1.015 3.837
103 1HE2 GLN 14 1HE2 GLN 14 6.541 3.209 2.901
104 2HE2 GLN 14 2HE2 GLN 14 4.793 3.195 3.000
105 H GLU 15 H GLU 15 3.221 -2.394 0.699
106 HA GLU 15 HA GLU 15 1.671 -0.443 -0.637
107 1HB GLU 15 1HB GLU 15 3.371 -1.844 -1.706
108 2HB GLU 15 2HB GLU 15 2.378 -3.290 -1.455
109 1HG GLU 15 1HG GLU 15 0.617 -2.348 -2.916
110 2HG GLU 15 2HG GLU 15 1.554 -0.855 -3.101
111 H LEU 16 H LEU 16 0.823 -3.755 0.481
112 HA LEU 16 HA LEU 16 -1.843 -3.788 -0.476
113 1HB LEU 16 1HB LEU 16 -0.453 -5.227 1.808
114 2HB LEU 16 2HB LEU 16 -2.107 -5.598 1.313
115 HG LEU 16 HG LEU 16 0.227 -5.738 -0.644
116 1HD1 LEU 16 3HD1 LEU 16 0.671 -7.266 1.246
117 2HD1 LEU 16 1HD1 LEU 16 -0.952 -7.966 1.068
118 3HD1 LEU 16 2HD1 LEU 16 0.255 -8.166 -0.221
119 1HD2 LEU 16 3HD2 LEU 16 -2.567 -6.962 -0.658
120 2HD2 LEU 16 1HD2 LEU 16 -2.002 -5.639 -1.701
121 3HD2 LEU 16 2HD2 LEU 16 -1.304 -7.253 -1.870
122 H HIS 17 H HIS 17 -0.488 -2.670 2.658
123 HA HIS 17 HA HIS 17 -3.005 -2.091 3.887
124 1HB HIS 17 1HB HIS 17 -0.973 -2.351 5.180
125 2HB HIS 17 2HB HIS 17 -0.208 -0.992 4.347
126 HD1 HIS 17 HD1 HIS 17 -0.811 1.394 5.087
127 HD2 HIS 17 HD2 HIS 17 -3.033 -1.569 7.052
128 HE1 HIS 17 HE1 HIS 17 -2.066 2.523 6.988
129 H LYS 18 H LYS 18 -0.672 -0.068 2.064
130 HA LYS 18 HA LYS 18 -1.926 2.412 2.327
131 1HB LYS 18 1HB LYS 18 0.382 2.008 1.549
132 2HB LYS 18 2HB LYS 18 -0.249 1.346 0.030
133 1HG LYS 18 1HG LYS 18 -1.271 3.575 -0.480
134 2HG LYS 18 2HG LYS 18 -0.689 4.175 1.076
135 1HD LYS 18 1HD LYS 18 0.817 4.922 -0.665
136 2HD LYS 18 2HD LYS 18 1.652 3.787 0.393
137 1HE LYS 18 1HE LYS 18 2.177 3.455 -2.010
138 2HE LYS 18 2HE LYS 18 1.471 2.009 -1.285
139 1HZ LYS 18 3HZ LYS 18 0.014 3.993 -2.887
140 2HZ LYS 18 1HZ LYS 18 0.550 2.528 -3.432
141 3HZ LYS 18 2HZ LYS 18 -0.613 2.599 -2.267
142 H LEU 19 H LEU 19 -2.277 -0.065 -0.255
143 HA LEU 19 HA LEU 19 -4.423 1.396 -1.605
144 1HB LEU 19 1HB LEU 19 -3.279 -1.392 -2.012
145 2HB LEU 19 2HB LEU 19 -4.481 -0.613 -3.054
146 HG LEU 19 HG LEU 19 -1.639 0.384 -2.533
147 1HD1 LEU 19 3HD1 LEU 19 -1.716 -1.733 -3.799
148 2HD1 LEU 19 1HD1 LEU 19 -2.838 -0.999 -4.965
149 3HD1 LEU 19 2HD1 LEU 19 -1.176 -0.386 -4.816
150 1HD2 LEU 19 3HD2 LEU 19 -3.774 1.372 -4.478
151 2HD2 LEU 19 1HD2 LEU 19 -3.073 2.286 -3.121
152 3HD2 LEU 19 2HD2 LEU 19 -2.069 1.859 -4.507
153 H GLN 20 H GLN 20 -4.626 -2.027 -0.767
154 HA GLN 20 HA GLN 20 -6.009 -3.275 0.405
155 1HB GLN 20 1HB GLN 20 -5.502 -1.703 2.276
156 2HB GLN 20 2HB GLN 20 -6.982 -0.807 1.904
157 1HG GLN 20 1HG GLN 20 -8.323 -2.851 2.294
158 2HG GLN 20 2HG GLN 20 -6.838 -3.763 2.613
159 1HE2 GLN 20 1HE2 GLN 20 -8.223 -1.006 5.402
160 2HE2 GLN 20 2HE2 GLN 20 -8.695 -0.877 3.722
161 H THR 21 H THR 21 -7.974 -0.289 0.010
162 HA THR 21 HA THR 21 -10.232 -1.890 -0.999
163 HB THR 21 HB THR 21 -10.460 -0.227 0.838
164 HG1 THR 21 HG1 THR 21 -12.342 0.722 -0.094
165 1HG2 THR 21 2HG2 THR 21 -8.939 1.561 -0.029
166 2HG2 THR 21 3HG2 THR 21 -10.101 1.885 -1.336
167 3HG2 THR 21 1HG2 THR 21 -10.563 2.154 0.350
168 H TYR 22 H TYR 22 -7.670 -1.208 -2.630
169 HA TYR 22 HA TYR 22 -6.960 -0.277 -4.529
170 1HB TYR 22 1HB TYR 22 -8.237 -0.789 -6.551
171 2HB TYR 22 2HB TYR 22 -7.917 -2.141 -5.483
172 HD1 TYR 22 HD2 TYR 22 -9.713 -3.258 -4.209
173 HD2 TYR 22 HD1 TYR 22 -10.549 -0.165 -7.099
174 HE1 TYR 22 HE2 TYR 22 -12.089 -3.947 -4.268
175 HE2 TYR 22 HE1 TYR 22 -12.932 -0.818 -7.106
176 HH TYR 22 HH TYR 22 -14.190 -3.506 -5.096
177 HA PRO 23 HA PRO 23 -9.505 3.478 -3.696
178 1HB PRO 23 1HB PRO 23 -7.732 5.070 -2.400
179 2HB PRO 23 2HB PRO 23 -8.505 3.679 -1.599
180 1HG PRO 23 1HG PRO 23 -5.787 3.706 -2.973
181 2HG PRO 23 2HG PRO 23 -6.155 3.195 -1.294
182 1HD PRO 23 2HD PRO 23 -6.016 1.403 -3.325
183 2HD PRO 23 1HD PRO 23 -7.298 1.270 -2.080
184 H ARG 24 H ARG 24 -9.321 5.748 -4.269
185 HA ARG 24 HA ARG 24 -8.262 6.271 -6.874
186 1HB ARG 24 1HB ARG 24 -9.211 8.491 -6.544
187 2HB ARG 24 2HB ARG 24 -10.333 7.235 -6.002
188 1HG ARG 24 1HG ARG 24 -9.400 7.653 -3.622
189 2HG ARG 24 2HG ARG 24 -8.646 9.107 -4.293
190 1HD ARG 24 1HD ARG 24 -10.795 10.025 -4.902
191 2HD ARG 24 2HD ARG 24 -11.631 8.523 -4.491
192 HE ARG 24 HE ARG 24 -10.765 10.620 -2.683
193 1HH1 ARG 24 2HH2 ARG 24 -11.496 7.142 -2.881
194 2HH1 ARG 24 1HH2 ARG 24 -11.739 6.980 -1.160
195 1HH2 ARG 24 1HH1 ARG 24 -11.131 10.376 -0.435
196 2HH2 ARG 24 2HH1 ARG 24 -11.567 8.815 0.220
197 H THR 25 H THR 25 -7.162 7.003 -3.564
198 HA THR 25 HA THR 25 -4.527 7.875 -4.597
199 HB THR 25 HB THR 25 -5.946 9.896 -4.166
200 HG1 THR 25 HG1 THR 25 -3.686 9.913 -3.899
201 1HG2 THR 25 1HG2 THR 25 -7.312 9.007 -2.265
202 2HG2 THR 25 2HG2 THR 25 -5.862 9.014 -1.240
203 3HG2 THR 25 3HG2 THR 25 -6.506 10.535 -1.879
204 H ASP 26 H ASP 26 -3.016 8.113 -2.571
205 HA ASP 26 HA ASP 26 -2.777 5.539 -1.387
206 1HB ASP 26 1HB ASP 26 -1.497 8.183 -0.581
207 2HB ASP 26 2HB ASP 26 -0.952 6.572 -0.091
208 H VAL 27 H VAL 27 -4.193 4.740 0.026
209 HA VAL 27 HA VAL 27 -5.765 4.514 1.584
210 HB VAL 27 HB VAL 27 -4.382 6.743 3.137
211 1HG1 VAL 27 1HG1 VAL 27 -6.066 4.351 4.021
212 2HG1 VAL 27 2HG1 VAL 27 -5.258 5.507 5.096
213 3HG1 VAL 27 3HG1 VAL 27 -6.593 6.042 4.074
214 1HG2 VAL 27 2HG2 VAL 27 -3.806 3.751 3.091
215 2HG2 VAL 27 3HG2 VAL 27 -2.714 5.024 2.497
216 3HG2 VAL 27 1HG2 VAL 27 -3.100 4.925 4.217
217 H GLY 28 H GLY 28 -6.957 5.432 -0.352
218 1HA GLY 28 2HA GLY 28 -8.256 8.056 0.053
219 2HA GLY 28 1HA GLY 28 -8.487 6.925 -1.283
220 H ALA 29 H ALA 29 -9.306 7.629 2.077
221 HA ALA 29 HA ALA 29 -11.081 5.349 2.418
222 1HB ALA 29 1HB ALA 29 -9.767 6.232 4.273
223 2HB ALA 29 2HB ALA 29 -10.568 7.810 4.133
224 3HB ALA 29 3HB ALA 29 -11.502 6.374 4.615
225 H GLY 30 H GLY 30 -12.377 5.836 0.450
226 1HA GLY 30 2HA GLY 30 -14.941 6.701 1.107
227 2HA GLY 30 1HA GLY 30 -14.155 8.096 0.342
228 H THR 31 H THR 31 -13.767 4.590 -0.347
229 HA THR 31 HA THR 31 -15.434 4.597 -2.658
230 HB THR 31 HB THR 31 -13.515 5.862 -3.607
231 HG1 THR 31 HG1 THR 31 -13.193 4.480 -5.364
232 1HG2 THR 31 2HG2 THR 31 -11.702 4.803 -2.170
233 2HG2 THR 31 3HG2 THR 31 -11.838 3.357 -3.193
234 3HG2 THR 31 1HG2 THR 31 -11.351 4.908 -3.905
235 HA PRO 32 HA PRO 32 -15.034 0.333 -1.332
236 1HB PRO 32 1HB PRO 32 -16.364 -1.013 -3.296
237 2HB PRO 32 2HB PRO 32 -17.194 0.086 -2.156
238 1HG PRO 32 1HG PRO 32 -16.198 0.748 -4.944
239 2HG PRO 32 2HG PRO 32 -17.838 1.018 -4.280
240 1HD PRO 32 1HD PRO 32 -15.995 2.993 -4.299
241 2HD PRO 32 2HD PRO 32 -17.068 2.787 -2.887
242 1HN NH2 33 1HN NH2 33 -12.710 -1.709 -3.123
243 2HN NH2 33 2HN NH2 33 -13.997 -1.718 -1.937
No H/Q in entry = 243
Start of MODEL 9
1 1H CYS 1 3H CYS 1 16.186 -1.310 2.946
2 2H CYS 1 1H CYS 1 17.218 -1.063 1.683
3 3H CYS 1 2H CYS 1 15.620 -0.685 1.528
4 HA CYS 1 HA CYS 1 14.983 -2.936 1.744
5 1HB CYS 1 1HB CYS 1 15.367 -2.000 -0.472
6 2HB CYS 1 2HB CYS 1 17.073 -2.434 -0.400
7 H SER 2 H SER 2 15.684 -3.875 3.676
8 HA SER 2 HA SER 2 18.341 -4.863 4.141
9 1HB SER 2 1HB SER 2 15.650 -5.510 5.407
10 2HB SER 2 2HB SER 2 17.223 -6.078 6.012
11 HG SER 2 HG SER 2 16.420 -3.377 5.675
12 H ASN 3 H ASN 3 19.110 -6.208 2.582
13 HA ASN 3 HA ASN 3 19.470 -8.051 1.358
14 1HB ASN 3 1HB ASN 3 17.553 -9.494 3.238
15 2HB ASN 3 2HB ASN 3 18.859 -10.199 2.276
16 1HD2 ASN 3 1HD2 ASN 3 21.511 -8.982 4.408
17 2HD2 ASN 3 2HD2 ASN 3 21.122 -9.282 2.728
18 H LEU 4 H LEU 4 17.193 -10.196 1.117
19 HA LEU 4 HA LEU 4 15.241 -8.758 -0.562
20 1HB LEU 4 1HB LEU 4 15.490 -10.371 -2.361
21 2HB LEU 4 2HB LEU 4 16.924 -9.374 -2.179
22 HG LEU 4 HG LEU 4 16.889 -12.083 -0.817
23 1HD1 LEU 4 2HD1 LEU 4 17.393 -11.627 -3.785
24 2HD1 LEU 4 3HD1 LEU 4 17.703 -13.134 -2.895
25 3HD1 LEU 4 1HD1 LEU 4 16.043 -12.543 -3.077
26 1HD2 LEU 4 1HD2 LEU 4 19.065 -10.472 -2.233
27 2HD2 LEU 4 2HD2 LEU 4 18.871 -10.614 -0.475
28 3HD2 LEU 4 3HD2 LEU 4 19.288 -12.037 -1.429
29 H SER 5 H SER 5 14.845 -9.562 1.984
30 HA SER 5 HA SER 5 12.808 -11.677 1.695
31 1HB SER 5 1HB SER 5 15.082 -11.801 3.735
32 2HB SER 5 2HB SER 5 13.625 -12.818 3.747
33 HG SER 5 HG SER 5 14.258 -13.538 1.649
34 H THR 6 H THR 6 14.497 -9.743 4.232
35 HA THR 6 HA THR 6 12.086 -8.947 5.576
36 HB THR 6 HB THR 6 14.890 -7.757 5.590
37 HG1 THR 6 HG1 THR 6 13.601 -9.616 7.289
38 1HG2 THR 6 3HG2 THR 6 12.562 -7.415 7.536
39 2HG2 THR 6 1HG2 THR 6 14.225 -6.851 7.808
40 3HG2 THR 6 2HG2 THR 6 13.258 -6.142 6.506
41 H CYS 7 H CYS 7 14.165 -7.502 3.046
42 HA CYS 7 HA CYS 7 12.833 -5.051 2.640
43 1HB CYS 7 1HB CYS 7 14.985 -5.597 1.676
44 2HB CYS 7 2HB CYS 7 14.295 -6.913 0.735
45 H VAL 8 H VAL 8 12.269 -8.285 1.150
46 HA VAL 8 HA VAL 8 10.220 -7.456 -0.626
47 HB VAL 8 HB VAL 8 10.908 -10.186 0.533
48 1HG1 VAL 8 3HG1 VAL 8 9.052 -9.448 -1.773
49 2HG1 VAL 8 1HG1 VAL 8 9.647 -11.086 -1.428
50 3HG1 VAL 8 2HG1 VAL 8 8.595 -10.273 -0.265
51 1HG2 VAL 8 3HG2 VAL 8 12.694 -9.110 -0.844
52 2HG2 VAL 8 1HG2 VAL 8 11.998 -10.523 -1.650
53 3HG2 VAL 8 2HG2 VAL 8 11.528 -8.889 -2.161
54 H LEU 9 H LEU 9 9.985 -9.120 2.567
55 HA LEU 9 HA LEU 9 7.169 -9.085 2.797
56 1HB LEU 9 1HB LEU 9 9.385 -9.001 4.875
57 2HB LEU 9 2HB LEU 9 7.684 -9.234 5.288
58 HG LEU 9 HG LEU 9 9.169 -11.099 3.383
59 1HD1 LEU 9 3HD1 LEU 9 10.285 -11.103 5.586
60 2HD1 LEU 9 1HD1 LEU 9 8.722 -11.383 6.383
61 3HD1 LEU 9 2HD1 LEU 9 9.410 -12.618 5.307
62 1HD2 LEU 9 2HD2 LEU 9 6.575 -11.392 4.961
63 2HD2 LEU 9 3HD2 LEU 9 6.713 -11.226 3.198
64 3HD2 LEU 9 1HD2 LEU 9 7.346 -12.667 3.998
65 H GLY 10 H GLY 10 9.602 -6.619 3.679
66 1HA GLY 10 1HA GLY 10 7.915 -4.771 4.992
67 2HA GLY 10 2HA GLY 10 9.427 -4.409 4.143
68 H LYS 11 H LYS 11 8.840 -5.076 1.515
69 HA LYS 11 HA LYS 11 7.437 -2.771 0.658
70 1HB LYS 11 1HB LYS 11 9.286 -3.747 -0.614
71 2HB LYS 11 2HB LYS 11 8.362 -5.231 -0.873
72 1HG LYS 11 1HG LYS 11 8.312 -3.893 -2.880
73 2HG LYS 11 2HG LYS 11 6.687 -3.975 -2.204
74 1HD LYS 11 1HD LYS 11 7.081 -1.664 -1.189
75 2HD LYS 11 2HD LYS 11 8.666 -1.658 -1.980
76 1HE LYS 11 1HE LYS 11 7.138 -0.404 -3.342
77 2HE LYS 11 2HE LYS 11 7.455 -1.926 -4.194
78 1HZ LYS 11 3HZ LYS 11 5.111 -1.326 -2.523
79 2HZ LYS 11 1HZ LYS 11 5.138 -1.344 -4.173
80 3HZ LYS 11 2HZ LYS 11 5.371 -2.741 -3.330
81 H LEU 12 H LEU 12 6.513 -6.242 0.780
82 HA LEU 12 HA LEU 12 3.978 -5.965 -0.505
83 1HB LEU 12 1HB LEU 12 5.043 -7.967 1.521
84 2HB LEU 12 2HB LEU 12 3.484 -8.142 0.709
85 HG LEU 12 HG LEU 12 6.117 -7.913 -0.805
86 1HD1 LEU 12 2HD2 LEU 12 6.162 -9.902 0.654
87 2HD1 LEU 12 3HD2 LEU 12 4.584 -10.415 0.019
88 3HD1 LEU 12 1HD2 LEU 12 6.004 -10.368 -1.048
89 1HD2 LEU 12 2HD1 LEU 12 3.340 -8.868 -1.634
90 2HD2 LEU 12 3HD1 LEU 12 4.150 -7.389 -2.193
91 3HD2 LEU 12 1HD1 LEU 12 4.800 -8.968 -2.637
92 H SER 13 H SER 13 4.933 -5.882 2.953
93 HA SER 13 HA SER 13 2.363 -5.515 4.058
94 1HB SER 13 1HB SER 13 4.348 -6.092 5.377
95 2HB SER 13 2HB SER 13 5.059 -4.497 5.052
96 HG SER 13 HG SER 13 3.965 -4.591 7.056
97 H GLN 14 H GLN 14 4.788 -3.089 2.992
98 HA GLN 14 HA GLN 14 3.352 -0.735 3.558
99 1HB GLN 14 1HB GLN 14 5.679 -0.703 3.085
100 2HB GLN 14 2HB GLN 14 5.477 -1.418 1.490
101 1HG GLN 14 1HG GLN 14 4.303 1.285 2.258
102 2HG GLN 14 2HG GLN 14 5.937 1.094 1.613
103 1HE2 GLN 14 1HE2 GLN 14 3.132 1.654 -1.068
104 2HE2 GLN 14 2HE2 GLN 14 3.176 2.247 0.578
105 H GLU 15 H GLU 15 3.415 -2.739 0.572
106 HA GLU 15 HA GLU 15 1.797 -1.044 -0.996
107 1HB GLU 15 1HB GLU 15 3.308 -2.778 -1.854
108 2HB GLU 15 2HB GLU 15 2.257 -4.048 -1.207
109 1HG GLU 15 1HG GLU 15 0.429 -3.314 -2.690
110 2HG GLU 15 2HG GLU 15 1.420 -1.963 -3.272
111 H LEU 16 H LEU 16 0.944 -3.937 0.964
112 HA LEU 16 HA LEU 16 -1.837 -3.948 0.345
113 1HB LEU 16 1HB LEU 16 -0.233 -5.012 2.697
114 2HB LEU 16 2HB LEU 16 -1.954 -5.343 2.480
115 HG LEU 16 HG LEU 16 0.111 -6.061 0.352
116 1HD1 LEU 16 2HD1 LEU 16 0.689 -7.208 2.462
117 2HD1 LEU 16 3HD1 LEU 16 -0.981 -7.796 2.606
118 3HD1 LEU 16 1HD1 LEU 16 0.049 -8.348 1.266
119 1HD2 LEU 16 1HD2 LEU 16 -2.734 -7.026 0.888
120 2HD2 LEU 16 2HD2 LEU 16 -2.219 -5.992 -0.462
121 3HD2 LEU 16 3HD2 LEU 16 -1.644 -7.659 -0.362
122 H HIS 17 H HIS 17 0.025 -2.377 2.981
123 HA HIS 17 HA HIS 17 -2.234 -1.368 4.400
124 1HB HIS 17 1HB HIS 17 0.007 -1.618 5.361
125 2HB HIS 17 2HB HIS 17 0.651 -0.412 4.239
126 HD1 HIS 17 HD1 HIS 17 1.408 1.226 6.041
127 HD2 HIS 17 HD2 HIS 17 -2.667 0.272 6.300
128 HE1 HIS 17 HE1 HIS 17 0.361 2.814 7.726
129 H LYS 18 H LYS 18 -0.231 -0.039 1.756
130 HA LYS 18 HA LYS 18 -1.345 2.580 1.760
131 1HB LYS 18 1HB LYS 18 0.844 2.107 0.849
132 2HB LYS 18 2HB LYS 18 0.175 0.967 -0.324
133 1HG LYS 18 1HG LYS 18 0.760 3.035 -1.409
134 2HG LYS 18 2HG LYS 18 -0.989 2.805 -1.487
135 1HD LYS 18 1HD LYS 18 -1.309 4.442 0.335
136 2HD LYS 18 2HD LYS 18 0.447 4.548 0.571
137 1HE LYS 18 1HE LYS 18 -0.323 6.477 -0.695
138 2HE LYS 18 2HE LYS 18 0.705 5.465 -1.720
139 1HZ LYS 18 3HZ LYS 18 -2.232 5.474 -1.733
140 2HZ LYS 18 1HZ LYS 18 -1.261 6.204 -2.847
141 3HZ LYS 18 2HZ LYS 18 -1.265 4.562 -2.708
142 H LEU 19 H LEU 19 -1.825 -0.121 -0.589
143 HA LEU 19 HA LEU 19 -3.990 1.201 -1.928
144 1HB LEU 19 1HB LEU 19 -3.153 -1.728 -1.959
145 2HB LEU 19 2HB LEU 19 -4.226 -0.937 -3.118
146 HG LEU 19 HG LEU 19 -1.282 -0.267 -2.696
147 1HD1 LEU 19 2HD1 LEU 19 -1.683 -2.484 -3.722
148 2HD1 LEU 19 3HD1 LEU 19 -2.700 -1.723 -4.963
149 3HD1 LEU 19 1HD1 LEU 19 -0.966 -1.343 -4.875
150 1HD2 LEU 19 3HD2 LEU 19 -3.312 0.780 -4.721
151 2HD2 LEU 19 1HD2 LEU 19 -2.465 1.732 -3.479
152 3HD2 LEU 19 2HD2 LEU 19 -1.557 1.030 -4.821
153 H GLN 20 H GLN 20 -4.040 -1.847 -0.043
154 HA GLN 20 HA GLN 20 -5.477 -2.767 1.387
155 1HB GLN 20 1HB GLN 20 -4.821 -0.737 2.613
156 2HB GLN 20 2HB GLN 20 -6.237 0.121 2.027
157 1HG GLN 20 1HG GLN 20 -7.686 -1.619 3.139
158 2HG GLN 20 2HG GLN 20 -6.217 -2.387 3.762
159 1HE2 GLN 20 1HE2 GLN 20 -5.442 0.396 6.015
160 2HE2 GLN 20 2HE2 GLN 20 -4.649 -0.684 4.889
161 H THR 21 H THR 21 -7.845 -0.203 0.968
162 HA THR 21 HA THR 21 -9.940 -1.959 0.087
163 HB THR 21 HB THR 21 -9.627 1.056 0.128
164 HG1 THR 21 HG1 THR 21 -10.862 -0.758 1.918
165 1HG2 THR 21 3HG2 THR 21 -12.145 -0.643 -0.181
166 2HG2 THR 21 1HG2 THR 21 -12.128 1.104 0.145
167 3HG2 THR 21 2HG2 THR 21 -11.484 0.489 -1.384
168 H TYR 22 H TYR 22 -7.593 0.130 -1.456
169 HA TYR 22 HA TYR 22 -6.481 -0.652 -3.256
170 1HB TYR 22 1HB TYR 22 -9.055 -1.274 -4.707
171 2HB TYR 22 2HB TYR 22 -7.440 -1.340 -5.381
172 HD1 TYR 22 HD2 TYR 22 -5.715 -2.707 -3.555
173 HD2 TYR 22 HD1 TYR 22 -9.867 -3.474 -4.454
174 HE1 TYR 22 HE2 TYR 22 -5.492 -4.980 -2.640
175 HE2 TYR 22 HE1 TYR 22 -9.624 -5.768 -3.566
176 HH TYR 22 HH TYR 22 -6.545 -6.974 -2.183
177 HA PRO 23 HA PRO 23 -7.642 3.229 -5.691
178 1HB PRO 23 1HB PRO 23 -9.995 4.570 -5.167
179 2HB PRO 23 2HB PRO 23 -9.794 3.339 -6.443
180 1HG PRO 23 1HG PRO 23 -10.971 2.955 -3.687
181 2HG PRO 23 2HG PRO 23 -11.583 2.358 -5.249
182 1HD PRO 23 1HD PRO 23 -10.134 0.785 -3.574
183 2HD PRO 23 2HD PRO 23 -9.972 0.661 -5.352
184 H ARG 24 H ARG 24 -9.449 3.433 -2.578
185 HA ARG 24 HA ARG 24 -7.170 4.304 -1.130
186 1HB ARG 24 1HB ARG 24 -7.729 6.502 -0.522
187 2HB ARG 24 2HB ARG 24 -7.990 6.499 -2.268
188 1HG ARG 24 1HG ARG 24 -10.466 6.061 -1.768
189 2HG ARG 24 2HG ARG 24 -10.077 6.324 -0.055
190 1HD ARG 24 1HD ARG 24 -8.995 8.564 -0.931
191 2HD ARG 24 2HD ARG 24 -10.084 8.329 -2.306
192 HE ARG 24 HE ARG 24 -10.713 9.263 0.318
193 1HH1 ARG 24 2HH2 ARG 24 -12.151 7.182 -2.198
194 2HH1 ARG 24 1HH2 ARG 24 -13.759 7.322 -1.528
195 1HH2 ARG 24 1HH1 ARG 24 -12.821 9.441 1.125
196 2HH2 ARG 24 2HH1 ARG 24 -14.141 8.603 0.338
197 H THR 25 H THR 25 -7.762 4.505 1.220
198 HA THR 25 HA THR 25 -9.837 2.624 1.999
199 HB THR 25 HB THR 25 -8.037 4.433 3.654
200 HG1 THR 25 HG1 THR 25 -7.853 1.693 2.971
201 1HG2 THR 25 3HG2 THR 25 -9.745 2.022 4.429
202 2HG2 THR 25 1HG2 THR 25 -8.576 2.846 5.484
203 3HG2 THR 25 2HG2 THR 25 -10.030 3.699 4.943
204 H ASP 26 H ASP 26 -11.761 3.465 1.243
205 HA ASP 26 HA ASP 26 -12.577 6.126 1.300
206 1HB ASP 26 1HB ASP 26 -13.594 4.393 -0.096
207 2HB ASP 26 2HB ASP 26 -14.231 3.571 1.336
208 H VAL 27 H VAL 27 -13.421 7.438 2.798
209 HA VAL 27 HA VAL 27 -13.902 8.331 4.782
210 HB VAL 27 HB VAL 27 -15.069 5.637 5.608
211 1HG1 VAL 27 1HG1 VAL 27 -15.465 8.456 6.697
212 2HG1 VAL 27 2HG1 VAL 27 -16.360 7.009 7.202
213 3HG1 VAL 27 3HG1 VAL 27 -14.628 7.130 7.530
214 1HG2 VAL 27 1HG2 VAL 27 -16.366 8.085 4.327
215 2HG2 VAL 27 2HG2 VAL 27 -16.172 6.492 3.567
216 3HG2 VAL 27 3HG2 VAL 27 -17.229 6.673 4.970
217 H GLY 28 H GLY 28 -11.762 8.732 5.202
218 1HA GLY 28 2HA GLY 28 -10.080 8.767 6.840
219 2HA GLY 28 1HA GLY 28 -10.454 7.107 7.319
220 H ALA 29 H ALA 29 -9.510 8.925 4.362
221 HA ALA 29 HA ALA 29 -7.875 6.703 3.332
222 1HB ALA 29 2HB ALA 29 -9.360 7.970 1.848
223 2HB ALA 29 3HB ALA 29 -8.488 9.469 2.226
224 3HB ALA 29 1HB ALA 29 -7.664 8.145 1.370
225 H GLY 30 H GLY 30 -6.675 7.039 5.537
226 1HA GLY 30 2HA GLY 30 -5.013 9.317 5.927
227 2HA GLY 30 1HA GLY 30 -4.897 7.760 6.759
228 H THR 31 H THR 31 -3.936 5.921 5.385
229 HA THR 31 HA THR 31 -1.322 6.664 4.645
230 HB THR 31 HB THR 31 -2.687 4.000 4.122
231 HG1 THR 31 HG1 THR 31 -1.854 3.516 6.138
232 1HG2 THR 31 3HG2 THR 31 -0.471 4.364 2.957
233 2HG2 THR 31 1HG2 THR 31 0.244 4.737 4.536
234 3HG2 THR 31 2HG2 THR 31 -0.416 3.119 4.218
235 HA PRO 32 HA PRO 32 -2.616 6.668 0.070
236 1HB PRO 32 1HB PRO 32 -5.086 6.047 -0.819
237 2HB PRO 32 2HB PRO 32 -3.917 4.782 -0.376
238 1HG PRO 32 1HG PRO 32 -6.130 5.905 1.374
239 2HG PRO 32 2HG PRO 32 -5.777 4.186 1.007
240 1HD PRO 32 1HD PRO 32 -4.870 5.407 3.265
241 2HD PRO 32 2HD PRO 32 -3.928 4.161 2.393
242 1HN NH2 33 1HN NH2 33 -3.678 9.954 1.288
243 2HN NH2 33 2HN NH2 33 -2.403 8.776 1.525
No H/Q in entry = 243
Start of MODEL 10
1 1H CYS 1 3H CYS 1 17.835 -1.892 2.725
2 2H CYS 1 1H CYS 1 18.087 -1.319 1.200
3 3H CYS 1 2H CYS 1 16.627 -1.096 1.933
4 HA CYS 1 HA CYS 1 16.204 -3.409 1.969
5 1HB CYS 1 1HB CYS 1 15.481 -1.968 0.071
6 2HB CYS 1 2HB CYS 1 16.951 -2.400 -0.796
7 H SER 2 H SER 2 18.427 -3.894 3.137
8 HA SER 2 HA SER 2 20.562 -4.950 1.502
9 1HB SER 2 1HB SER 2 20.004 -5.145 4.493
10 2HB SER 2 2HB SER 2 21.495 -5.671 3.682
11 HG SER 2 HG SER 2 20.411 -3.050 3.672
12 H ASN 3 H ASN 3 18.540 -6.623 3.982
13 HA ASN 3 HA ASN 3 18.949 -9.209 2.738
14 1HB ASN 3 1HB ASN 3 18.745 -8.962 5.168
15 2HB ASN 3 2HB ASN 3 17.119 -8.289 4.987
16 1HD2 ASN 3 1HD2 ASN 3 16.095 -11.631 5.722
17 2HD2 ASN 3 2HD2 ASN 3 16.298 -10.011 6.351
18 H LEU 4 H LEU 4 17.885 -9.790 0.933
19 HA LEU 4 HA LEU 4 15.404 -8.475 0.081
20 1HB LEU 4 1HB LEU 4 16.997 -10.711 -1.220
21 2HB LEU 4 2HB LEU 4 15.718 -9.734 -1.961
22 HG LEU 4 HG LEU 4 18.472 -8.773 -1.054
23 1HD1 LEU 4 2HD1 LEU 4 18.434 -10.087 -3.143
24 2HD1 LEU 4 3HD1 LEU 4 17.205 -8.992 -3.813
25 3HD1 LEU 4 1HD1 LEU 4 18.835 -8.387 -3.447
26 1HD2 LEU 4 3HD2 LEU 4 16.153 -7.190 -2.249
27 2HD2 LEU 4 1HD2 LEU 4 16.908 -6.940 -0.656
28 3HD2 LEU 4 2HD2 LEU 4 17.824 -6.602 -2.126
29 H SER 5 H SER 5 14.602 -9.365 2.257
30 HA SER 5 HA SER 5 12.660 -11.428 1.694
31 1HB SER 5 1HB SER 5 14.555 -12.873 2.354
32 2HB SER 5 2HB SER 5 14.761 -11.945 3.850
33 HG SER 5 HG SER 5 12.632 -12.566 4.415
34 H THR 6 H THR 6 14.371 -9.716 4.372
35 HA THR 6 HA THR 6 12.020 -8.926 5.811
36 HB THR 6 HB THR 6 14.808 -7.696 5.675
37 HG1 THR 6 HG1 THR 6 15.070 -8.915 7.579
38 1HG2 THR 6 3HG2 THR 6 12.563 -7.341 7.714
39 2HG2 THR 6 1HG2 THR 6 14.230 -6.759 7.909
40 3HG2 THR 6 2HG2 THR 6 13.205 -6.082 6.634
41 H CYS 7 H CYS 7 14.051 -7.371 3.277
42 HA CYS 7 HA CYS 7 12.594 -4.953 3.029
43 1HB CYS 7 1HB CYS 7 14.830 -5.281 2.112
44 2HB CYS 7 2HB CYS 7 14.224 -6.514 0.998
45 H VAL 8 H VAL 8 12.240 -8.124 1.367
46 HA VAL 8 HA VAL 8 10.273 -7.315 -0.503
47 HB VAL 8 HB VAL 8 10.926 -10.050 0.666
48 1HG1 VAL 8 3HG2 VAL 8 9.263 -9.299 -1.777
49 2HG1 VAL 8 1HG2 VAL 8 9.852 -10.934 -1.410
50 3HG1 VAL 8 2HG2 VAL 8 8.696 -10.157 -0.325
51 1HG2 VAL 8 3HG1 VAL 8 12.819 -8.950 -0.533
52 2HG2 VAL 8 1HG1 VAL 8 12.200 -10.345 -1.424
53 3HG2 VAL 8 2HG1 VAL 8 11.768 -8.702 -1.941
54 H LEU 9 H LEU 9 9.911 -9.030 2.644
55 HA LEU 9 HA LEU 9 7.089 -9.094 2.724
56 1HB LEU 9 1HB LEU 9 9.199 -9.018 4.905
57 2HB LEU 9 2HB LEU 9 7.484 -9.268 5.243
58 HG LEU 9 HG LEU 9 9.040 -11.087 3.354
59 1HD1 LEU 9 1HD1 LEU 9 10.097 -11.126 5.593
60 2HD1 LEU 9 2HD1 LEU 9 8.515 -11.435 6.337
61 3HD1 LEU 9 3HD1 LEU 9 9.245 -12.642 5.255
62 1HD2 LEU 9 3HD2 LEU 9 6.413 -11.430 4.868
63 2HD2 LEU 9 1HD2 LEU 9 6.586 -11.223 3.113
64 3HD2 LEU 9 2HD2 LEU 9 7.214 -12.677 3.893
65 H GLY 10 H GLY 10 9.391 -6.628 3.971
66 1HA GLY 10 1HA GLY 10 7.558 -4.876 5.180
67 2HA GLY 10 2HA GLY 10 9.116 -4.427 4.465
68 H LYS 11 H LYS 11 8.792 -4.935 1.798
69 HA LYS 11 HA LYS 11 7.496 -2.622 0.887
70 1HB LYS 11 1HB LYS 11 9.384 -3.702 -0.202
71 2HB LYS 11 2HB LYS 11 8.393 -5.079 -0.690
72 1HG LYS 11 1HG LYS 11 7.611 -2.254 -1.497
73 2HG LYS 11 2HG LYS 11 8.929 -3.092 -2.326
74 1HD LYS 11 1HD LYS 11 7.441 -4.941 -2.961
75 2HD LYS 11 2HD LYS 11 6.085 -4.175 -2.125
76 1HE LYS 11 1HE LYS 11 5.891 -3.719 -4.469
77 2HE LYS 11 2HE LYS 11 6.246 -2.207 -3.614
78 1HZ LYS 11 3HZ LYS 11 8.193 -3.862 -5.066
79 2HZ LYS 11 1HZ LYS 11 7.521 -2.460 -5.615
80 3HZ LYS 11 2HZ LYS 11 8.520 -2.436 -4.305
81 H LEU 12 H LEU 12 6.457 -6.080 0.454
82 HA LEU 12 HA LEU 12 4.063 -5.319 -0.868
83 1HB LEU 12 1HB LEU 12 3.424 -7.614 -0.823
84 2HB LEU 12 2HB LEU 12 5.122 -7.415 -1.234
85 HG LEU 12 HG LEU 12 5.477 -7.896 1.372
86 1HD1 LEU 12 2HD1 LEU 12 3.017 -8.099 1.915
87 2HD1 LEU 12 3HD1 LEU 12 2.903 -9.422 0.745
88 3HD1 LEU 12 1HD1 LEU 12 3.902 -9.599 2.200
89 1HD2 LEU 12 3HD2 LEU 12 6.408 -9.211 -0.491
90 2HD2 LEU 12 1HD2 LEU 12 5.801 -10.271 0.791
91 3HD2 LEU 12 2HD2 LEU 12 4.852 -10.042 -0.694
92 H SER 13 H SER 13 4.735 -5.915 2.592
93 HA SER 13 HA SER 13 2.034 -5.947 3.478
94 1HB SER 13 1HB SER 13 4.591 -5.125 4.911
95 2HB SER 13 2HB SER 13 3.011 -5.348 5.688
96 HG SER 13 HG SER 13 4.469 -7.306 4.253
97 H GLN 14 H GLN 14 4.389 -3.236 3.109
98 HA GLN 14 HA GLN 14 2.551 -1.200 3.969
99 1HB GLN 14 1HB GLN 14 5.095 -1.146 2.302
100 2HB GLN 14 2HB GLN 14 4.191 0.313 2.726
101 1HG GLN 14 1HG GLN 14 5.332 -1.644 4.771
102 2HG GLN 14 2HG GLN 14 6.099 -0.140 4.253
103 1HE2 GLN 14 1HE2 GLN 14 3.114 -0.067 7.045
104 2HE2 GLN 14 2HE2 GLN 14 3.681 -1.558 6.323
105 H GLU 15 H GLU 15 3.395 -2.517 0.735
106 HA GLU 15 HA GLU 15 2.007 -0.676 -0.824
107 1HB GLU 15 1HB GLU 15 3.614 -2.324 -1.664
108 2HB GLU 15 2HB GLU 15 2.460 -3.635 -1.352
109 1HG GLU 15 1HG GLU 15 0.896 -2.680 -2.996
110 2HG GLU 15 2HG GLU 15 1.960 -1.281 -3.222
111 H LEU 16 H LEU 16 0.783 -3.872 0.375
112 HA LEU 16 HA LEU 16 -1.838 -3.439 -0.650
113 1HB LEU 16 1HB LEU 16 -2.500 -5.422 0.462
114 2HB LEU 16 2HB LEU 16 -0.916 -5.619 -0.277
115 HG LEU 16 HG LEU 16 -0.046 -5.040 2.178
116 1HD1 LEU 16 1HD1 LEU 16 -2.337 -4.665 3.175
117 2HD1 LEU 16 2HD1 LEU 16 -2.770 -6.318 2.720
118 3HD1 LEU 16 3HD1 LEU 16 -1.492 -6.026 3.915
119 1HD2 LEU 16 2HD2 LEU 16 0.391 -7.134 0.936
120 2HD2 LEU 16 3HD2 LEU 16 0.025 -7.461 2.637
121 3HD2 LEU 16 1HD2 LEU 16 -1.212 -7.741 1.393
122 H HIS 17 H HIS 17 -0.356 -2.625 2.505
123 HA HIS 17 HA HIS 17 -2.780 -2.040 3.863
124 1HB HIS 17 1HB HIS 17 -0.654 -2.455 4.981
125 2HB HIS 17 2HB HIS 17 0.032 -0.974 4.295
126 HD1 HIS 17 HD1 HIS 17 0.485 0.055 6.614
127 HD2 HIS 17 HD2 HIS 17 -3.546 -0.907 5.977
128 HE1 HIS 17 HE1 HIS 17 -0.856 1.114 8.495
129 H LYS 18 H LYS 18 -0.566 0.019 1.942
130 HA LYS 18 HA LYS 18 -1.732 2.534 2.378
131 1HB LYS 18 1HB LYS 18 -0.139 1.331 0.113
132 2HB LYS 18 2HB LYS 18 -0.736 2.990 0.033
133 1HG LYS 18 1HG LYS 18 0.354 3.501 2.208
134 2HG LYS 18 2HG LYS 18 1.075 1.901 2.235
135 1HD LYS 18 1HD LYS 18 1.519 4.032 0.091
136 2HD LYS 18 2HD LYS 18 2.614 3.668 1.433
137 1HE LYS 18 1HE LYS 18 2.882 1.340 0.561
138 2HE LYS 18 2HE LYS 18 1.882 1.776 -0.843
139 1HZ LYS 18 3HZ LYS 18 4.415 3.033 -0.093
140 2HZ LYS 18 1HZ LYS 18 4.189 1.951 -1.317
141 3HZ LYS 18 2HZ LYS 18 3.482 3.439 -1.391
142 H LEU 19 H LEU 19 -2.414 0.247 -0.324
143 HA LEU 19 HA LEU 19 -4.587 1.915 -1.255
144 1HB LEU 19 1HB LEU 19 -4.880 0.255 -2.992
145 2HB LEU 19 2HB LEU 19 -3.193 0.708 -2.779
146 HG LEU 19 HG LEU 19 -3.131 -1.482 -1.237
147 1HD1 LEU 19 3HD1 LEU 19 -5.332 -2.129 -3.252
148 2HD1 LEU 19 1HD1 LEU 19 -4.509 -3.288 -2.191
149 3HD1 LEU 19 2HD1 LEU 19 -5.560 -2.051 -1.497
150 1HD2 LEU 19 3HD2 LEU 19 -3.096 -1.528 -4.277
151 2HD2 LEU 19 1HD2 LEU 19 -1.739 -1.079 -3.221
152 3HD2 LEU 19 2HD2 LEU 19 -2.356 -2.739 -3.207
153 H GLN 20 H GLN 20 -4.418 -0.833 0.972
154 HA GLN 20 HA GLN 20 -7.144 -1.602 0.852
155 1HB GLN 20 1HB GLN 20 -5.497 -2.990 1.951
156 2HB GLN 20 2HB GLN 20 -5.131 -1.717 3.130
157 1HG GLN 20 1HG GLN 20 -6.531 -3.484 4.091
158 2HG GLN 20 2HG GLN 20 -7.370 -1.934 4.106
159 1HE2 GLN 20 1HE2 GLN 20 -8.617 -4.925 1.475
160 2HE2 GLN 20 2HE2 GLN 20 -6.944 -4.839 1.979
161 H THR 21 H THR 21 -5.449 0.877 2.840
162 HA THR 21 HA THR 21 -7.910 1.815 4.076
163 HB THR 21 HB THR 21 -6.447 3.641 4.920
164 HG1 THR 21 HG1 THR 21 -4.233 3.437 4.531
165 1HG2 THR 21 2HG2 THR 21 -6.722 1.555 6.202
166 2HG2 THR 21 3HG2 THR 21 -5.371 0.813 5.318
167 3HG2 THR 21 1HG2 THR 21 -5.079 2.201 6.382
168 H TYR 22 H TYR 22 -5.858 4.247 2.648
169 HA TYR 22 HA TYR 22 -7.093 4.768 0.251
170 1HB TYR 22 1HB TYR 22 -8.615 6.609 0.643
171 2HB TYR 22 2HB TYR 22 -9.251 5.109 1.242
172 HD1 TYR 22 HD2 TYR 22 -9.472 4.712 3.717
173 HD2 TYR 22 HD1 TYR 22 -8.159 8.492 2.102
174 HE1 TYR 22 HE2 TYR 22 -9.776 5.767 5.933
175 HE2 TYR 22 HE1 TYR 22 -8.526 9.556 4.306
176 HH TYR 22 HH TYR 22 -9.098 9.239 6.513
177 HA PRO 23 HA PRO 23 -4.953 8.804 1.782
178 1HB PRO 23 1HB PRO 23 -3.085 7.703 3.867
179 2HB PRO 23 2HB PRO 23 -3.882 9.300 3.805
180 1HG PRO 23 1HG PRO 23 -4.817 7.386 5.464
181 2HG PRO 23 2HG PRO 23 -5.969 8.338 4.484
182 1HD PRO 23 1HD PRO 23 -4.792 5.618 3.836
183 2HD PRO 23 2HD PRO 23 -6.507 6.077 3.913
184 H ARG 24 H ARG 24 -3.060 5.815 2.216
185 HA ARG 24 HA ARG 24 -1.287 4.909 1.254
186 1HB ARG 24 1HB ARG 24 -1.325 7.059 -0.902
187 2HB ARG 24 2HB ARG 24 -0.403 5.560 -0.901
188 1HG ARG 24 1HG ARG 24 -2.479 4.230 -0.897
189 2HG ARG 24 2HG ARG 24 -3.454 5.702 -0.857
190 1HD ARG 24 1HD ARG 24 -1.515 4.913 -3.067
191 2HD ARG 24 2HD ARG 24 -3.272 4.751 -3.144
192 HE ARG 24 HE ARG 24 -1.676 7.147 -3.525
193 1HH1 ARG 24 2HH2 ARG 24 -4.918 6.031 -2.542
194 2HH1 ARG 24 1HH2 ARG 24 -5.670 7.562 -2.919
195 1HH2 ARG 24 1HH1 ARG 24 -2.695 9.123 -3.986
196 2HH2 ARG 24 2HH1 ARG 24 -4.415 9.312 -3.734
197 H THR 25 H THR 25 -0.695 8.405 0.659
198 HA THR 25 HA THR 25 1.798 8.441 2.163
199 HB THR 25 HB THR 25 0.009 10.689 1.129
200 HG1 THR 25 HG1 THR 25 0.872 9.354 -0.495
201 1HG2 THR 25 3HG2 THR 25 2.901 10.702 2.114
202 2HG2 THR 25 1HG2 THR 25 2.072 12.064 1.331
203 3HG2 THR 25 2HG2 THR 25 1.520 11.487 2.912
204 H ASP 26 H ASP 26 1.876 8.502 4.339
205 HA ASP 26 HA ASP 26 1.256 8.413 6.492
206 1HB ASP 26 1HB ASP 26 -0.765 10.600 5.817
207 2HB ASP 26 2HB ASP 26 -0.241 10.110 7.426
208 H VAL 27 H VAL 27 0.596 6.290 5.595
209 HA VAL 27 HA VAL 27 -1.906 5.596 4.733
210 HB VAL 27 HB VAL 27 0.064 4.215 4.511
211 1HG1 VAL 27 3HG1 VAL 27 1.091 4.507 6.764
212 2HG1 VAL 27 1HG1 VAL 27 -0.188 3.493 7.464
213 3HG1 VAL 27 2HG1 VAL 27 0.944 2.810 6.289
214 1HG2 VAL 27 1HG2 VAL 27 -2.231 3.244 4.370
215 2HG2 VAL 27 2HG2 VAL 27 -0.977 2.062 4.794
216 3HG2 VAL 27 3HG2 VAL 27 -2.080 2.687 6.041
217 H GLY 28 H GLY 28 -3.844 5.030 5.572
218 1HA GLY 28 2HA GLY 28 -5.517 4.627 7.051
219 2HA GLY 28 1HA GLY 28 -4.321 4.299 8.314
220 H ALA 29 H ALA 29 -6.678 5.587 8.930
221 HA ALA 29 HA ALA 29 -6.446 8.461 8.998
222 1HB ALA 29 3HB ALA 29 -8.102 6.531 10.680
223 2HB ALA 29 1HB ALA 29 -8.284 8.299 10.641
224 3HB ALA 29 2HB ALA 29 -8.608 7.339 9.184
225 H GLY 30 H GLY 30 -6.124 5.950 11.568
226 1HA GLY 30 2HA GLY 30 -4.485 7.678 13.295
227 2HA GLY 30 1HA GLY 30 -5.007 6.012 13.587
228 H THR 31 H THR 31 -2.811 7.996 11.585
229 HA THR 31 HA THR 31 -1.424 5.898 10.381
230 HB THR 31 HB THR 31 -0.514 8.743 10.952
231 HG1 THR 31 HG1 THR 31 -1.365 9.070 8.863
232 1HG2 THR 31 3HG2 THR 31 0.433 6.777 8.814
233 2HG2 THR 31 1HG2 THR 31 0.918 8.477 8.969
234 3HG2 THR 31 2HG2 THR 31 1.388 7.315 10.215
235 HA PRO 32 HA PRO 32 0.940 4.614 13.983
236 1HB PRO 32 1HB PRO 32 2.547 2.700 12.877
237 2HB PRO 32 2HB PRO 32 0.791 2.487 13.126
238 1HG PRO 32 1HG PRO 32 2.200 3.302 10.576
239 2HG PRO 32 2HG PRO 32 0.937 2.058 10.788
240 1HD PRO 32 1HD PRO 32 0.370 4.586 9.939
241 2HD PRO 32 2HD PRO 32 -0.760 3.684 10.995
242 1HN NH2 33 1HN NH2 33 4.096 6.122 11.713
243 2HN NH2 33 2HN NH2 33 2.764 5.314 10.918
No H/Q in entry = 243