Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
1760 | 1axh RC | 4233 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H SER 1 3H SER 1 1.543 -0.128 -8.660
2 2H SER 1 2H SER 1 3.095 -0.388 -9.300
3 3H SER 1 1H SER 1 1.720 -0.893 -10.162
4 HA SER 1 HA SER 1 1.194 -2.509 -8.483
5 1HB SER 1 2HB SER 1 3.111 -4.016 -8.788
6 2HB SER 1 1HB SER 1 2.672 -3.218 -10.293
7 HG SER 1 HG SER 1 4.950 -3.170 -9.901
8 HA PRO 2 HA PRO 2 2.710 -1.834 -4.408
9 1HB PRO 2 2HB PRO 2 2.329 -4.279 -3.315
10 2HB PRO 2 1HB PRO 2 1.006 -3.166 -3.696
11 1HG PRO 2 2HG PRO 2 1.880 -5.609 -5.113
12 2HG PRO 2 1HG PRO 2 0.267 -4.891 -4.985
13 1HD PRO 2 2HD PRO 2 1.973 -4.698 -7.188
14 2HD PRO 2 1HD PRO 2 0.546 -3.690 -6.884
15 H THR 3 H THR 3 4.940 -1.680 -5.524
16 HA THR 3 HA THR 3 6.678 -3.939 -4.773
17 HB THR 3 HB THR 3 6.648 -2.915 -7.133
18 HG1 THR 3 HG1 THR 3 8.358 -4.140 -6.960
19 1HG2 THR 3 3HG2 THR 3 6.918 -0.553 -5.879
20 2HG2 THR 3 2HG2 THR 3 8.619 -0.929 -6.169
21 3HG2 THR 3 1HG2 THR 3 7.491 -0.843 -7.523
22 H CYS 4 H CYS 4 9.053 -2.254 -4.735
23 HA CYS 4 HA CYS 4 9.158 -1.617 -2.004
24 1HB CYS 4 2HB CYS 4 11.306 -0.624 -2.499
25 2HB CYS 4 1HB CYS 4 11.131 -2.130 -3.385
26 H ILE 5 H ILE 5 9.411 0.458 -1.002
27 HA ILE 5 HA ILE 5 7.496 2.393 -1.968
28 HB ILE 5 HB ILE 5 9.353 2.475 0.403
29 1HG1 ILE 5 2HG1 ILE 5 6.437 1.694 0.292
30 2HG1 ILE 5 1HG1 ILE 5 7.768 0.542 0.336
31 1HG2 ILE 5 1HG2 ILE 5 8.417 4.674 -0.371
32 2HG2 ILE 5 3HG2 ILE 5 6.806 4.031 -0.051
33 3HG2 ILE 5 2HG2 ILE 5 7.961 4.214 1.271
34 1HD1 ILE 5 3HD1 ILE 5 8.517 1.764 2.465
35 2HD1 ILE 5 2HD1 ILE 5 6.912 2.497 2.457
36 3HD1 ILE 5 1HD1 ILE 5 7.081 0.745 2.581
37 HA PRO 6 HA PRO 6 10.664 4.665 -4.118
38 1HB PRO 6 2HB PRO 6 9.055 6.572 -5.154
39 2HB PRO 6 1HB PRO 6 9.190 4.937 -5.817
40 1HG PRO 6 2HG PRO 6 7.027 6.141 -4.198
41 2HG PRO 6 1HG PRO 6 6.945 4.863 -5.421
42 1HD PRO 6 2HD PRO 6 6.888 4.487 -2.652
43 2HD PRO 6 1HD PRO 6 7.196 3.228 -3.864
44 H SER 7 H SER 7 11.665 6.697 -4.028
45 HA SER 7 HA SER 7 11.957 7.863 -1.537
46 1HB SER 7 2HB SER 7 13.569 8.136 -3.357
47 2HB SER 7 1HB SER 7 12.420 9.141 -4.233
48 HG SER 7 HG SER 7 12.611 10.173 -1.818
49 H GLY 8 H GLY 8 11.036 9.515 -0.444
50 1HA GLY 8 2HA GLY 8 9.741 11.461 -0.149
51 2HA GLY 8 1HA GLY 8 9.027 11.205 -1.741
52 H GLN 9 H GLN 9 8.714 8.270 -0.862
53 HA GLN 9 HA GLN 9 6.061 8.631 0.310
54 1HB GLN 9 2HB GLN 9 7.342 6.690 -1.427
55 2HB GLN 9 1HB GLN 9 6.475 5.915 -0.103
56 1HG GLN 9 2HG GLN 9 4.508 7.421 -0.701
57 2HG GLN 9 1HG GLN 9 5.388 7.817 -2.178
58 1HE2 GLN 9 2HE2 GLN 9 3.888 4.037 -1.632
59 2HE2 GLN 9 1HE2 GLN 9 4.199 5.071 -0.283
60 HA PRO 10 HA PRO 10 7.227 7.255 4.325
61 1HB PRO 10 2HB PRO 10 4.968 6.023 5.166
62 2HB PRO 10 1HB PRO 10 5.122 7.780 5.006
63 1HG PRO 10 2HG PRO 10 3.747 5.837 3.239
64 2HG PRO 10 1HG PRO 10 3.337 7.520 3.605
65 1HD PRO 10 2HD PRO 10 4.581 6.653 1.286
66 2HD PRO 10 1HD PRO 10 4.606 8.319 1.900
67 H CYS 11 H CYS 11 8.488 5.640 4.982
68 HA CYS 11 HA CYS 11 7.902 2.886 4.082
69 1HB CYS 11 2HB CYS 11 10.208 2.451 3.899
70 2HB CYS 11 1HB CYS 11 9.977 4.017 3.137
71 HA PRO 12 HA PRO 12 7.687 1.960 8.412
72 1HB PRO 12 2HB PRO 12 7.714 -0.741 8.247
73 2HB PRO 12 1HB PRO 12 6.301 0.244 7.836
74 1HG PRO 12 2HG PRO 12 8.225 -1.130 6.054
75 2HG PRO 12 1HG PRO 12 6.504 -0.788 5.813
76 1HD PRO 12 2HD PRO 12 8.613 0.635 4.679
77 2HD PRO 12 1HD PRO 12 6.933 1.196 4.807
78 H TYR 13 H TYR 13 10.053 0.190 6.443
79 HA TYR 13 HA TYR 13 12.077 0.602 8.529
80 1HB TYR 13 2HB TYR 13 12.043 -2.048 7.187
81 2HB TYR 13 1HB TYR 13 12.631 -1.605 8.783
82 HD1 TYR 13 HD2 TYR 13 10.938 -1.148 10.607
83 HD2 TYR 13 HD1 TYR 13 9.905 -2.940 6.874
84 HE1 TYR 13 HE2 TYR 13 8.850 -2.010 11.595
85 HE2 TYR 13 HE1 TYR 13 7.819 -3.800 7.865
86 HH TYR 13 HH TYR 13 6.727 -4.176 9.819
87 H ASN 14 H ASN 14 14.285 0.133 7.683
88 HA ASN 14 HA ASN 14 14.675 1.391 5.157
89 1HB ASN 14 2HB ASN 14 16.765 -0.203 6.621
90 2HB ASN 14 1HB ASN 14 16.974 1.215 5.606
91 1HD2 ASN 14 1HD2 ASN 14 18.225 1.641 7.696
92 2HD2 ASN 14 2HD2 ASN 14 17.379 2.540 8.895
93 H GLU 15 H GLU 15 13.855 -1.747 6.019
94 HA GLU 15 HA GLU 15 15.199 -3.042 3.774
95 1HB GLU 15 2HB GLU 15 14.428 -3.890 6.297
96 2HB GLU 15 1HB GLU 15 13.245 -4.636 5.224
97 1HG GLU 15 2HG GLU 15 15.560 -5.084 3.851
98 2HG GLU 15 1HG GLU 15 16.127 -5.171 5.519
99 H ASN 16 H ASN 16 12.701 -1.075 3.873
100 HA ASN 16 HA ASN 16 11.162 -2.618 1.879
101 1HB ASN 16 2HB ASN 16 10.126 -2.138 4.268
102 2HB ASN 16 1HB ASN 16 9.782 -0.568 3.541
103 1HD2 ASN 16 2HD2 ASN 16 6.801 -2.185 2.557
104 2HD2 ASN 16 1HD2 ASN 16 7.533 -1.179 3.753
105 H CYS 17 H CYS 17 13.268 -0.253 2.114
106 HA CYS 17 HA CYS 17 11.853 1.793 0.580
107 1HB CYS 17 2HB CYS 17 14.176 1.710 2.267
108 2HB CYS 17 1HB CYS 17 14.600 2.382 0.701
109 H CYS 18 H CYS 18 12.351 2.353 -1.520
110 HA CYS 18 HA CYS 18 13.154 0.275 -3.274
111 1HB CYS 18 2HB CYS 18 12.668 3.224 -3.611
112 2HB CYS 18 1HB CYS 18 13.229 2.230 -4.944
113 H SER 19 H SER 19 14.729 3.041 -1.844
114 HA SER 19 HA SER 19 17.238 2.530 -3.225
115 1HB SER 19 2HB SER 19 17.888 4.641 -2.569
116 2HB SER 19 1HB SER 19 16.141 4.852 -2.653
117 HG SER 19 HG SER 19 16.062 4.512 -0.395
118 H GLN 20 H GLN 20 15.659 1.391 -0.546
119 HA GLN 20 HA GLN 20 16.306 0.071 1.204
120 1HB GLN 20 2HB GLN 20 19.018 0.344 -0.097
121 2HB GLN 20 1HB GLN 20 18.693 -0.673 1.302
122 1HG GLN 20 2HG GLN 20 17.469 -0.926 -1.451
123 2HG GLN 20 1HG GLN 20 18.595 -2.045 -0.683
124 1HE2 GLN 20 2HE2 GLN 20 16.057 -3.013 1.796
125 2HE2 GLN 20 1HE2 GLN 20 17.654 -2.356 1.798
126 H SER 21 H SER 21 16.761 3.198 0.926
127 HA SER 21 HA SER 21 18.170 3.464 3.513
128 1HB SER 21 2HB SER 21 18.325 5.025 0.996
129 2HB SER 21 1HB SER 21 18.381 5.932 2.501
130 HG SER 21 HG SER 21 19.973 3.873 2.846
131 H CYS 22 H CYS 22 16.566 3.622 4.988
132 HA CYS 22 HA CYS 22 14.252 5.353 4.420
133 1HB CYS 22 2HB CYS 22 14.775 3.087 6.274
134 2HB CYS 22 1HB CYS 22 13.627 4.313 6.785
135 H THR 23 H THR 23 13.712 7.066 5.784
136 HA THR 23 HA THR 23 15.693 7.838 7.827
137 HB THR 23 HB THR 23 16.432 9.193 6.112
138 HG1 THR 23 HG1 THR 23 16.090 10.867 7.333
139 1HG2 THR 23 1HG2 THR 23 14.660 8.458 4.516
140 2HG2 THR 23 3HG2 THR 23 13.593 9.681 5.210
141 3HG2 THR 23 2HG2 THR 23 15.074 10.169 4.383
142 H PHE 24 H PHE 24 14.762 9.935 8.969
143 HA PHE 24 HA PHE 24 11.887 9.484 9.493
144 1HB PHE 24 2HB PHE 24 14.144 9.356 11.264
145 2HB PHE 24 1HB PHE 24 13.078 10.665 11.755
146 HD1 PHE 24 HD1 PHE 24 10.522 10.037 11.831
147 HD2 PHE 24 HD2 PHE 24 13.728 7.225 12.022
148 HE1 PHE 24 HE1 PHE 24 9.023 8.401 12.903
149 HE2 PHE 24 HE2 PHE 24 12.229 5.589 13.094
150 HZ PHE 24 HZ PHE 24 9.876 6.177 13.535
151 H LYS 25 H LYS 25 10.730 11.191 8.861
152 HA LYS 25 HA LYS 25 11.930 13.884 9.088
153 1HB LYS 25 2HB LYS 25 10.001 12.797 7.035
154 2HB LYS 25 1HB LYS 25 10.403 14.506 7.202
155 1HG LYS 25 2HG LYS 25 12.668 14.134 6.603
156 2HG LYS 25 1HG LYS 25 12.514 12.391 6.806
157 1HD LYS 25 2HD LYS 25 11.501 12.104 4.774
158 2HD LYS 25 1HD LYS 25 10.725 13.685 4.818
159 1HE LYS 25 2HE LYS 25 13.485 14.199 4.724
160 2HE LYS 25 1HE LYS 25 13.205 12.901 3.567
161 1HZ LYS 25 1HZ LYS 25 11.332 14.313 2.699
162 2HZ LYS 25 3HZ LYS 25 11.956 15.582 3.636
163 3HZ LYS 25 2HZ LYS 25 12.901 14.895 2.402
164 H GLU 26 H GLU 26 10.492 15.598 9.661
165 HA GLU 26 HA GLU 26 8.408 14.732 11.483
166 1HB GLU 26 2HB GLU 26 10.277 16.565 11.827
167 2HB GLU 26 1HB GLU 26 9.076 17.599 11.057
168 1HG GLU 26 2HG GLU 26 7.488 17.207 12.768
169 2HG GLU 26 1HG GLU 26 8.388 15.826 13.396
170 H ASN 27 H ASN 27 6.271 15.222 11.312
171 HA ASN 27 HA ASN 27 5.338 16.108 8.679
172 1HB ASN 27 2HB ASN 27 3.236 15.322 10.499
173 2HB ASN 27 1HB ASN 27 3.687 14.625 8.949
174 1HD2 ASN 27 2HD2 ASN 27 4.207 12.373 12.048
175 2HD2 ASN 27 1HD2 ASN 27 2.988 13.561 11.750
176 H GLU 28 H GLU 28 2.866 17.058 9.245
177 HA GLU 28 HA GLU 28 3.464 19.639 10.437
178 1HB GLU 28 2HB GLU 28 2.289 19.395 8.220
179 2HB GLU 28 1HB GLU 28 0.909 18.751 9.106
180 1HG GLU 28 2HG GLU 28 0.300 20.960 9.056
181 2HG GLU 28 1HG GLU 28 1.273 20.982 10.527
182 H ASN 29 H ASN 29 1.855 16.704 11.170
183 HA ASN 29 HA ASN 29 -0.032 17.657 13.072
184 1HB ASN 29 2HB ASN 29 0.155 15.339 11.894
185 2HB ASN 29 1HB ASN 29 1.230 14.943 13.236
186 1HD2 ASN 29 2HD2 ASN 29 -1.667 13.927 14.918
187 2HD2 ASN 29 1HD2 ASN 29 -0.205 13.453 14.127
188 H GLY 30 H GLY 30 3.344 17.436 13.111
189 1HA GLY 30 2HA GLY 30 4.697 18.362 14.805
190 2HA GLY 30 1HA GLY 30 3.401 18.065 15.959
191 H ASN 31 H ASN 31 3.947 15.461 13.873
192 HA ASN 31 HA ASN 31 5.400 14.008 15.992
193 1HB ASN 31 2HB ASN 31 3.281 13.251 14.042
194 2HB ASN 31 1HB ASN 31 4.469 12.025 14.485
195 1HD2 ASN 31 2HD2 ASN 31 1.676 13.305 17.157
196 2HD2 ASN 31 1HD2 ASN 31 1.910 14.088 15.635
197 H THR 32 H THR 32 6.379 11.889 14.694
198 HA THR 32 HA THR 32 7.888 12.855 12.371
199 HB THR 32 HB THR 32 9.090 13.134 14.687
200 HG1 THR 32 HG1 THR 32 10.153 13.538 12.785
201 1HG2 THR 32 2HG2 THR 32 8.656 10.730 15.316
202 2HG2 THR 32 1HG2 THR 32 9.810 10.272 14.061
203 3HG2 THR 32 3HG2 THR 32 10.340 11.246 15.434
204 H VAL 33 H VAL 33 7.774 11.401 10.812
205 HA VAL 33 HA VAL 33 7.401 8.557 11.533
206 HB VAL 33 HB VAL 33 6.554 9.624 8.886
207 1HG1 VAL 33 3HG1 VAL 33 6.107 7.267 10.555
208 2HG1 VAL 33 2HG1 VAL 33 4.628 7.916 9.842
209 3HG1 VAL 33 1HG1 VAL 33 5.981 7.459 8.805
210 1HG2 VAL 33 3HG2 VAL 33 5.410 10.433 11.471
211 2HG2 VAL 33 2HG2 VAL 33 5.246 11.173 9.877
212 3HG2 VAL 33 1HG2 VAL 33 4.235 9.795 10.319
213 H LYS 34 H LYS 34 7.914 7.283 9.274
214 HA LYS 34 HA LYS 34 10.649 8.136 8.556
215 1HB LYS 34 2HB LYS 34 9.465 5.512 9.241
216 2HB LYS 34 1HB LYS 34 10.632 5.519 7.922
217 1HG LYS 34 2HG LYS 34 12.325 6.463 9.311
218 2HG LYS 34 1HG LYS 34 11.165 6.812 10.590
219 1HD LYS 34 2HD LYS 34 11.347 4.742 11.447
220 2HD LYS 34 1HD LYS 34 11.179 3.993 9.862
221 1HE LYS 34 2HE LYS 34 13.353 3.492 9.903
222 2HE LYS 34 1HE LYS 34 13.725 5.213 9.907
223 1HZ LYS 34 2HZ LYS 34 13.043 3.785 12.399
224 2HZ LYS 34 1HZ LYS 34 14.630 3.787 11.792
225 3HZ LYS 34 3HZ LYS 34 13.881 5.251 12.208
226 H ARG 35 H ARG 35 11.160 8.339 6.443
227 HA ARG 35 HA ARG 35 9.149 7.546 4.433
228 1HB ARG 35 2HB ARG 35 10.704 10.095 4.736
229 2HB ARG 35 1HB ARG 35 10.149 9.571 3.149
230 1HG ARG 35 2HG ARG 35 7.966 9.991 3.626
231 2HG ARG 35 1HG ARG 35 8.131 9.498 5.308
232 1HD ARG 35 2HD ARG 35 9.600 11.721 5.418
233 2HD ARG 35 1HD ARG 35 8.570 12.163 4.057
234 HE ARG 35 HE ARG 35 7.001 11.132 6.188
235 1HH1 ARG 35 1HH2 ARG 35 8.803 13.916 5.132
236 2HH1 ARG 35 2HH2 ARG 35 7.897 15.035 6.094
237 1HH2 ARG 35 2HH1 ARG 35 5.815 12.595 7.488
238 2HH2 ARG 35 1HH1 ARG 35 6.198 14.283 7.433
239 H CYS 36 H CYS 36 10.509 8.033 2.158
240 HA CYS 36 HA CYS 36 12.824 6.214 2.365
241 1HB CYS 36 2HB CYS 36 10.634 5.739 0.957
242 2HB CYS 36 1HB CYS 36 11.453 6.746 -0.221
243 H ASP 37 HN ASP 37 14.722 6.712 1.327
244 HA ASP 37 HA ASP 37 15.295 9.505 0.981
245 1HB ASP 37 2HB ASP 37 16.830 6.956 0.948
246 2HB ASP 37 1HB ASP 37 17.539 8.345 0.123
No H/Q in entry = 246
Start of MODEL 2
1 1H SER 1 1H SER 1 1.172 -5.056 -2.512
2 2H SER 1 3H SER 1 0.877 -3.970 -1.243
3 3H SER 1 2H SER 1 0.523 -3.522 -2.843
4 HA SER 1 HA SER 1 2.516 -2.651 -3.048
5 1HB SER 1 2HB SER 1 2.877 -3.798 -0.293
6 2HB SER 1 1HB SER 1 4.188 -2.963 -1.117
7 HG SER 1 HG SER 1 3.160 -1.338 -0.096
8 HA PRO 2 HA PRO 2 4.319 -6.562 -4.583
9 1HB PRO 2 2HB PRO 2 4.412 -5.841 -7.187
10 2HB PRO 2 1HB PRO 2 2.978 -6.542 -6.423
11 1HG PRO 2 2HG PRO 2 3.497 -3.759 -7.242
12 2HG PRO 2 1HG PRO 2 1.960 -4.621 -7.073
13 1HD PRO 2 2HD PRO 2 3.071 -2.779 -5.248
14 2HD PRO 2 1HD PRO 2 1.665 -3.828 -4.980
15 H THR 3 H THR 3 5.145 -3.233 -5.419
16 HA THR 3 HA THR 3 7.970 -4.006 -5.746
17 HB THR 3 HB THR 3 7.283 -2.812 -7.638
18 HG1 THR 3 HG1 THR 3 8.312 -0.776 -5.955
19 1HG2 THR 3 3HG2 THR 3 5.813 -1.030 -5.710
20 2HG2 THR 3 2HG2 THR 3 6.132 -0.546 -7.377
21 3HG2 THR 3 1HG2 THR 3 5.159 -1.981 -7.045
22 H CYS 4 H CYS 4 9.493 -2.155 -5.020
23 HA CYS 4 HA CYS 4 9.213 -1.878 -2.193
24 1HB CYS 4 2HB CYS 4 11.314 -0.514 -2.449
25 2HB CYS 4 1HB CYS 4 11.401 -2.160 -3.056
26 H ILE 5 H ILE 5 9.737 0.369 -1.219
27 HA ILE 5 HA ILE 5 7.647 2.204 -2.139
28 HB ILE 5 HB ILE 5 9.341 2.093 0.347
29 1HG1 ILE 5 2HG1 ILE 5 6.571 2.008 0.891
30 2HG1 ILE 5 1HG1 ILE 5 6.857 0.889 -0.439
31 1HG2 ILE 5 1HG2 ILE 5 7.263 4.102 -0.509
32 2HG2 ILE 5 3HG2 ILE 5 7.766 3.889 1.169
33 3HG2 ILE 5 2HG2 ILE 5 8.939 4.402 -0.046
34 1HD1 ILE 5 2HD1 ILE 5 8.571 0.890 2.039
35 2HD1 ILE 5 1HD1 ILE 5 7.080 -0.048 1.932
36 3HD1 ILE 5 3HD1 ILE 5 8.409 -0.375 0.820
37 HA PRO 6 HA PRO 6 10.974 4.531 -4.075
38 1HB PRO 6 2HB PRO 6 9.373 6.252 -5.413
39 2HB PRO 6 1HB PRO 6 9.743 4.616 -5.979
40 1HG PRO 6 2HG PRO 6 7.289 5.646 -4.658
41 2HG PRO 6 1HG PRO 6 7.460 4.409 -5.915
42 1HD PRO 6 2HD PRO 6 7.038 3.865 -3.248
43 2HD PRO 6 1HD PRO 6 7.786 2.736 -4.395
44 H SER 7 H SER 7 11.776 6.644 -3.923
45 HA SER 7 HA SER 7 11.678 7.901 -1.491
46 1HB SER 7 2HB SER 7 12.916 9.629 -2.440
47 2HB SER 7 1HB SER 7 13.240 8.277 -3.519
48 HG SER 7 HG SER 7 12.011 9.201 -5.051
49 H GLY 8 H GLY 8 10.582 9.612 -0.581
50 1HA GLY 8 2HA GLY 8 9.016 11.369 -0.484
51 2HA GLY 8 1HA GLY 8 8.387 10.869 -2.054
52 H GLN 9 H GLN 9 8.382 8.015 -1.027
53 HA GLN 9 HA GLN 9 5.729 8.153 0.208
54 1HB GLN 9 2HB GLN 9 7.264 6.109 -1.320
55 2HB GLN 9 1HB GLN 9 6.039 5.549 -0.185
56 1HG GLN 9 2HG GLN 9 4.377 7.012 -1.303
57 2HG GLN 9 1HG GLN 9 5.611 7.484 -2.472
58 1HE2 GLN 9 2HE2 GLN 9 3.975 3.729 -2.591
59 2HE2 GLN 9 1HE2 GLN 9 3.882 4.697 -1.162
60 HA PRO 10 HA PRO 10 7.162 6.926 4.193
61 1HB PRO 10 2HB PRO 10 5.015 5.572 5.133
62 2HB PRO 10 1HB PRO 10 5.052 7.334 4.956
63 1HG PRO 10 2HG PRO 10 3.734 5.293 3.256
64 2HG PRO 10 1HG PRO 10 3.231 6.950 3.630
65 1HD PRO 10 2HD PRO 10 4.434 6.148 1.267
66 2HD PRO 10 1HD PRO 10 4.382 7.815 1.873
67 H CYS 11 H CYS 11 8.316 5.293 5.092
68 HA CYS 11 HA CYS 11 7.871 2.544 4.116
69 1HB CYS 11 2HB CYS 11 10.204 2.190 3.811
70 2HB CYS 11 1HB CYS 11 9.785 3.660 2.943
71 HA PRO 12 HA PRO 12 8.107 1.634 8.442
72 1HB PRO 12 2HB PRO 12 8.200 -1.065 8.272
73 2HB PRO 12 1HB PRO 12 6.725 -0.124 7.998
74 1HG PRO 12 2HG PRO 12 8.491 -1.467 6.048
75 2HG PRO 12 1HG PRO 12 6.756 -1.128 5.958
76 1HD PRO 12 2HD PRO 12 8.787 0.308 4.670
77 2HD PRO 12 1HD PRO 12 7.103 0.827 4.875
78 H TYR 13 H TYR 13 10.094 -0.753 6.691
79 HA TYR 13 HA TYR 13 12.306 -0.207 8.569
80 1HB TYR 13 2HB TYR 13 12.385 -2.530 6.725
81 2HB TYR 13 1HB TYR 13 12.961 -2.387 8.379
82 HD1 TYR 13 HD2 TYR 13 10.709 -1.676 9.956
83 HD2 TYR 13 HD1 TYR 13 10.859 -4.208 6.525
84 HE1 TYR 13 HE2 TYR 13 8.694 -2.862 10.739
85 HE2 TYR 13 HE1 TYR 13 8.847 -5.393 7.311
86 HH TYR 13 HH TYR 13 6.808 -4.235 9.610
87 H ASN 14 H ASN 14 14.489 -0.254 7.661
88 HA ASN 14 HA ASN 14 14.703 1.354 5.306
89 1HB ASN 14 2HB ASN 14 16.992 -0.095 6.607
90 2HB ASN 14 1HB ASN 14 16.989 1.469 5.804
91 1HD2 ASN 14 2HD2 ASN 14 17.162 2.203 9.339
92 2HD2 ASN 14 1HD2 ASN 14 18.148 1.505 8.114
93 H GLU 15 H GLU 15 14.140 -1.882 5.719
94 HA GLU 15 HA GLU 15 15.675 -2.739 3.367
95 1HB GLU 15 2HB GLU 15 14.902 -3.972 5.825
96 2HB GLU 15 1HB GLU 15 14.177 -4.869 4.493
97 1HG GLU 15 2HG GLU 15 16.239 -5.430 3.574
98 2HG GLU 15 1HG GLU 15 17.064 -4.071 4.341
99 H ASN 16 H ASN 16 12.864 -1.252 3.809
100 HA ASN 16 HA ASN 16 11.392 -2.908 1.851
101 1HB ASN 16 2HB ASN 16 10.445 -2.349 4.230
102 2HB ASN 16 1HB ASN 16 10.070 -0.790 3.497
103 1HD2 ASN 16 2HD2 ASN 16 7.063 -2.626 2.872
104 2HD2 ASN 16 1HD2 ASN 16 7.880 -1.756 4.116
105 H CYS 17 H CYS 17 13.122 -0.063 2.243
106 HA CYS 17 HA CYS 17 11.628 1.570 0.380
107 1HB CYS 17 2HB CYS 17 13.910 1.887 2.163
108 2HB CYS 17 1HB CYS 17 14.155 2.666 0.606
109 H CYS 18 H CYS 18 12.259 2.112 -1.717
110 HA CYS 18 HA CYS 18 13.342 0.071 -3.304
111 1HB CYS 18 2HB CYS 18 12.864 3.000 -3.768
112 2HB CYS 18 1HB CYS 18 13.582 1.983 -5.006
113 H SER 19 H SER 19 14.777 2.950 -1.888
114 HA SER 19 HA SER 19 17.387 2.345 -3.008
115 1HB SER 19 2HB SER 19 18.053 4.466 -2.254
116 2HB SER 19 1HB SER 19 16.383 4.693 -2.761
117 HG SER 19 HG SER 19 15.754 4.635 -0.608
118 H GLN 20 H GLN 20 15.565 1.512 -0.314
119 HA GLN 20 HA GLN 20 16.086 0.191 1.497
120 1HB GLN 20 2HB GLN 20 18.385 -0.042 -0.164
121 2HB GLN 20 1HB GLN 20 18.925 0.167 1.500
122 1HG GLN 20 2HG GLN 20 18.591 -2.069 1.640
123 2HG GLN 20 1HG GLN 20 16.897 -1.619 1.836
124 1HE2 GLN 20 1HE2 GLN 20 15.524 -2.561 0.490
125 2HE2 GLN 20 2HE2 GLN 20 15.899 -3.216 -1.065
126 H SER 21 H SER 21 16.736 3.318 1.030
127 HA SER 21 HA SER 21 18.020 3.754 3.640
128 1HB SER 21 2HB SER 21 17.594 6.148 2.109
129 2HB SER 21 1HB SER 21 19.100 5.434 2.663
130 HG SER 21 HG SER 21 19.342 5.171 0.547
131 H CYS 22 H CYS 22 16.362 3.626 5.097
132 HA CYS 22 HA CYS 22 13.950 5.243 4.629
133 1HB CYS 22 2HB CYS 22 14.613 2.906 6.355
134 2HB CYS 22 1HB CYS 22 13.364 4.017 6.900
135 H THR 23 H THR 23 13.461 6.986 5.875
136 HA THR 23 HA THR 23 15.274 7.652 8.106
137 HB THR 23 HB THR 23 16.133 8.960 6.358
138 HG1 THR 23 HG1 THR 23 14.364 10.908 7.190
139 1HG2 THR 23 2HG2 THR 23 13.344 8.973 5.436
140 2HG2 THR 23 1HG2 THR 23 14.201 10.499 5.201
141 3HG2 THR 23 3HG2 THR 23 14.846 9.009 4.509
142 H PHE 24 H PHE 24 14.363 9.665 9.275
143 HA PHE 24 HA PHE 24 11.440 9.364 9.595
144 1HB PHE 24 2HB PHE 24 13.578 9.105 11.485
145 2HB PHE 24 1HB PHE 24 12.581 10.484 11.925
146 HD1 PHE 24 HD1 PHE 24 9.975 10.017 11.828
147 HD2 PHE 24 HD2 PHE 24 12.988 7.023 12.257
148 HE1 PHE 24 HE1 PHE 24 8.315 8.487 12.818
149 HE2 PHE 24 HE2 PHE 24 11.328 5.494 13.246
150 HZ PHE 24 HZ PHE 24 8.992 6.226 13.527
151 H LYS 25 H LYS 25 10.532 11.101 8.661
152 HA LYS 25 HA LYS 25 11.871 13.716 8.864
153 1HB LYS 25 2HB LYS 25 10.007 12.455 6.945
154 2HB LYS 25 1HB LYS 25 9.770 14.176 7.239
155 1HG LYS 25 2HG LYS 25 11.896 14.732 6.444
156 2HG LYS 25 1HG LYS 25 12.512 13.097 6.666
157 1HD LYS 25 2HD LYS 25 10.643 12.523 4.879
158 2HD LYS 25 1HD LYS 25 10.852 14.220 4.454
159 1HE LYS 25 2HE LYS 25 13.434 13.041 4.778
160 2HE LYS 25 1HE LYS 25 12.478 12.007 3.721
161 1HZ LYS 25 3HZ LYS 25 12.179 14.787 3.113
162 2HZ LYS 25 2HZ LYS 25 13.792 14.269 2.987
163 3HZ LYS 25 1HZ LYS 25 12.576 13.491 2.092
164 H GLU 26 H GLU 26 10.825 15.513 9.708
165 HA GLU 26 HA GLU 26 8.718 14.919 11.614
166 1HB GLU 26 2HB GLU 26 10.788 16.284 12.160
167 2HB GLU 26 1HB GLU 26 10.081 17.567 11.179
168 1HG GLU 26 2HG GLU 26 8.567 18.107 12.769
169 2HG GLU 26 1HG GLU 26 8.241 16.418 13.163
170 H ASN 27 H ASN 27 6.672 15.698 11.530
171 HA ASN 27 HA ASN 27 5.857 17.001 9.023
172 1HB ASN 27 2HB ASN 27 3.583 16.259 10.522
173 2HB ASN 27 1HB ASN 27 4.190 15.518 9.047
174 1HD2 ASN 27 2HD2 ASN 27 4.174 13.400 12.366
175 2HD2 ASN 27 1HD2 ASN 27 3.213 14.796 12.030
176 H GLU 28 H GLU 28 3.576 18.182 9.594
177 HA GLU 28 HA GLU 28 4.363 20.422 11.268
178 1HB GLU 28 2HB GLU 28 3.444 20.761 8.969
179 2HB GLU 28 1HB GLU 28 1.910 20.109 9.540
180 1HG GLU 28 2HG GLU 28 1.489 22.333 9.883
181 2HG GLU 28 1HG GLU 28 2.274 21.973 11.422
182 H ASN 29 H ASN 29 2.087 17.791 11.159
183 HA ASN 29 HA ASN 29 0.136 18.546 12.952
184 1HB ASN 29 2HB ASN 29 0.162 16.398 11.731
185 2HB ASN 29 1HB ASN 29 1.463 15.833 12.781
186 1HD2 ASN 29 2HD2 ASN 29 -0.849 14.552 15.018
187 2HD2 ASN 29 1HD2 ASN 29 0.600 14.362 14.096
188 H GLY 30 H GLY 30 3.458 17.661 13.552
189 1HA GLY 30 2HA GLY 30 4.548 18.636 15.496
190 2HA GLY 30 1HA GLY 30 3.079 18.284 16.400
191 H ASN 31 H ASN 31 4.345 16.015 14.092
192 HA ASN 31 HA ASN 31 5.542 14.384 16.229
193 1HB ASN 31 2HB ASN 31 3.052 13.827 14.858
194 2HB ASN 31 1HB ASN 31 4.236 12.548 14.584
195 1HD2 ASN 31 2HD2 ASN 31 2.306 11.997 17.774
196 2HD2 ASN 31 1HD2 ASN 31 1.835 12.358 16.152
197 H THR 32 H THR 32 6.113 12.136 14.764
198 HA THR 32 HA THR 32 7.551 13.053 12.373
199 HB THR 32 HB THR 32 8.997 13.125 14.483
200 HG1 THR 32 HG1 THR 32 9.843 13.096 12.356
201 1HG2 THR 32 1HG2 THR 32 8.721 10.143 14.113
202 2HG2 THR 32 3HG2 THR 32 10.022 10.899 15.036
203 3HG2 THR 32 2HG2 THR 32 8.346 11.089 15.556
204 H VAL 33 H VAL 33 7.744 11.549 10.796
205 HA VAL 33 HA VAL 33 6.809 8.806 11.357
206 HB VAL 33 HB VAL 33 6.274 10.002 8.695
207 1HG1 VAL 33 1HG1 VAL 33 5.079 7.927 10.480
208 2HG1 VAL 33 3HG1 VAL 33 4.090 8.658 9.216
209 3HG1 VAL 33 2HG1 VAL 33 5.577 7.808 8.791
210 1HG2 VAL 33 3HG2 VAL 33 5.108 11.010 11.208
211 2HG2 VAL 33 2HG2 VAL 33 5.207 11.771 9.618
212 3HG2 VAL 33 1HG2 VAL 33 3.938 10.591 9.955
213 H LYS 34 H LYS 34 7.362 7.454 9.225
214 HA LYS 34 HA LYS 34 10.191 8.054 8.622
215 1HB LYS 34 2HB LYS 34 8.736 5.568 9.269
216 2HB LYS 34 1HB LYS 34 9.938 5.442 7.986
217 1HG LYS 34 2HG LYS 34 11.671 6.248 9.419
218 2HG LYS 34 1HG LYS 34 10.511 6.708 10.661
219 1HD LYS 34 2HD LYS 34 10.570 4.657 11.561
220 2HD LYS 34 1HD LYS 34 10.212 3.915 10.004
221 1HE LYS 34 2HE LYS 34 12.323 3.219 9.798
222 2HE LYS 34 1HE LYS 34 12.926 4.858 10.021
223 1HZ LYS 34 2HZ LYS 34 12.043 3.300 12.353
224 2HZ LYS 34 1HZ LYS 34 13.577 3.008 11.682
225 3HZ LYS 34 3HZ LYS 34 13.187 4.552 12.264
226 H ARG 35 H ARG 35 10.631 8.619 6.619
227 HA ARG 35 HA ARG 35 8.792 7.815 4.450
228 1HB ARG 35 2HB ARG 35 10.297 10.342 4.990
229 2HB ARG 35 1HB ARG 35 9.952 9.883 3.325
230 1HG ARG 35 2HG ARG 35 7.648 10.042 3.625
231 2HG ARG 35 1HG ARG 35 7.768 9.880 5.376
232 1HD ARG 35 2HD ARG 35 8.775 12.103 5.533
233 2HD ARG 35 1HD ARG 35 8.719 12.265 3.780
234 HE ARG 35 HE ARG 35 6.500 12.513 5.610
235 1HH1 ARG 35 1HH1 ARG 35 6.085 13.404 1.815
236 2HH1 ARG 35 2HH1 ARG 35 7.578 13.585 2.672
237 1HH2 ARG 35 1HH2 ARG 35 4.514 11.581 4.352
238 2HH2 ARG 35 2HH2 ARG 35 4.341 12.265 2.770
239 H CYS 36 H CYS 36 10.154 8.207 2.256
240 HA CYS 36 HA CYS 36 12.536 6.481 2.521
241 1HB CYS 36 2HB CYS 36 10.388 5.876 1.124
242 2HB CYS 36 1HB CYS 36 11.125 6.928 -0.068
243 H ASP 37 HN ASP 37 14.466 7.276 1.981
244 HA ASP 37 HA ASP 37 14.804 10.012 1.275
245 1HB ASP 37 2HB ASP 37 16.594 7.663 1.676
246 2HB ASP 37 1HB ASP 37 17.237 9.065 0.821
No H/Q in entry = 246
Start of MODEL 3
1 1H SER 1 1H SER 1 10.411 -2.496 -11.381
2 2H SER 1 3H SER 1 10.300 -4.097 -10.830
3 3H SER 1 2H SER 1 10.071 -3.749 -12.477
4 HA SER 1 HA SER 1 8.032 -2.716 -12.120
5 1HB SER 1 2HB SER 1 8.262 -5.121 -10.308
6 2HB SER 1 1HB SER 1 6.736 -4.394 -10.800
7 HG SER 1 HG SER 1 8.681 -5.209 -12.699
8 HA PRO 2 HA PRO 2 7.636 -0.161 -8.555
9 1HB PRO 2 2HB PRO 2 4.998 0.426 -8.677
10 2HB PRO 2 1HB PRO 2 6.197 1.102 -9.790
11 1HG PRO 2 2HG PRO 2 4.201 -1.036 -10.239
12 2HG PRO 2 1HG PRO 2 4.874 0.142 -11.378
13 1HD PRO 2 2HD PRO 2 5.628 -2.534 -11.173
14 2HD PRO 2 1HD PRO 2 6.549 -1.255 -11.989
15 H THR 3 H THR 3 8.019 -1.513 -6.800
16 HA THR 3 HA THR 3 5.610 -2.516 -5.446
17 HB THR 3 HB THR 3 7.052 -4.306 -6.670
18 HG1 THR 3 HG1 THR 3 5.598 -5.209 -5.417
19 1HG2 THR 3 3HG2 THR 3 8.683 -3.857 -4.165
20 2HG2 THR 3 2HG2 THR 3 8.856 -5.223 -5.271
21 3HG2 THR 3 1HG2 THR 3 9.224 -3.587 -5.824
22 H CYS 4 H CYS 4 9.073 -1.845 -5.150
23 HA CYS 4 HA CYS 4 9.092 -1.583 -2.326
24 1HB CYS 4 2HB CYS 4 11.285 -0.555 -2.662
25 2HB CYS 4 1HB CYS 4 11.118 -2.032 -3.596
26 H ILE 5 H ILE 5 9.478 0.399 -1.136
27 HA ILE 5 HA ILE 5 7.628 2.483 -1.901
28 HB ILE 5 HB ILE 5 9.521 2.355 0.439
29 1HG1 ILE 5 2HG1 ILE 5 6.692 1.343 0.133
30 2HG1 ILE 5 1HG1 ILE 5 8.135 0.384 0.455
31 1HG2 ILE 5 2HG2 ILE 5 8.483 4.577 -0.151
32 2HG2 ILE 5 1HG2 ILE 5 6.913 3.848 0.192
33 3HG2 ILE 5 3HG2 ILE 5 8.122 3.982 1.472
34 1HD1 ILE 5 1HD1 ILE 5 7.295 2.583 2.323
35 2HD1 ILE 5 3HD1 ILE 5 6.586 0.970 2.440
36 3HD1 ILE 5 2HD1 ILE 5 8.325 1.187 2.648
37 HA PRO 6 HA PRO 6 10.950 4.729 -3.891
38 1HB PRO 6 2HB PRO 6 9.386 6.629 -5.018
39 2HB PRO 6 1HB PRO 6 9.593 5.003 -5.687
40 1HG PRO 6 2HG PRO 6 7.303 6.157 -4.218
41 2HG PRO 6 1HG PRO 6 7.331 4.888 -5.452
42 1HD PRO 6 2HD PRO 6 7.084 4.492 -2.695
43 2HD PRO 6 1HD PRO 6 7.488 3.246 -3.891
44 H SER 7 H SER 7 11.893 6.807 -3.728
45 HA SER 7 HA SER 7 12.037 7.920 -1.205
46 1HB SER 7 2HB SER 7 13.143 9.833 -2.277
47 2HB SER 7 1HB SER 7 13.723 8.299 -2.913
48 HG SER 7 HG SER 7 12.555 10.342 -4.222
49 H GLY 8 H GLY 8 10.850 9.288 -0.046
50 1HA GLY 8 2HA GLY 8 9.550 11.277 0.218
51 2HA GLY 8 1HA GLY 8 8.884 11.022 -1.393
52 H GLN 9 H GLN 9 8.621 8.077 -0.625
53 HA GLN 9 HA GLN 9 5.946 8.318 0.516
54 1HB GLN 9 2HB GLN 9 7.362 6.422 -1.196
55 2HB GLN 9 1HB GLN 9 6.402 5.638 0.056
56 1HG GLN 9 2HG GLN 9 4.570 5.991 -1.179
57 2HG GLN 9 1HG GLN 9 4.812 7.729 -0.994
58 1HE2 GLN 9 2HE2 GLN 9 6.635 8.009 -4.109
59 2HE2 GLN 9 1HE2 GLN 9 6.734 8.512 -2.459
60 HA PRO 10 HA PRO 10 7.108 6.921 4.524
61 1HB PRO 10 2HB PRO 10 4.834 5.697 5.339
62 2HB PRO 10 1HB PRO 10 5.003 7.454 5.199
63 1HG PRO 10 2HG PRO 10 3.622 5.541 3.406
64 2HG PRO 10 1HG PRO 10 3.225 7.226 3.784
65 1HD PRO 10 2HD PRO 10 4.479 6.363 1.465
66 2HD PRO 10 1HD PRO 10 4.509 8.025 2.090
67 H CYS 11 H CYS 11 8.467 5.331 4.985
68 HA CYS 11 HA CYS 11 7.796 2.561 4.200
69 1HB CYS 11 2HB CYS 11 10.137 2.126 3.937
70 2HB CYS 11 1HB CYS 11 9.745 3.566 3.006
71 HA PRO 12 HA PRO 12 7.973 1.768 8.561
72 1HB PRO 12 2HB PRO 12 7.847 -0.933 8.473
73 2HB PRO 12 1HB PRO 12 6.451 0.117 8.181
74 1HG PRO 12 2HG PRO 12 8.088 -1.419 6.258
75 2HG PRO 12 1HG PRO 12 6.382 -0.949 6.172
76 1HD PRO 12 2HD PRO 12 8.501 0.286 4.823
77 2HD PRO 12 1HD PRO 12 6.867 0.945 5.034
78 H TYR 13 H TYR 13 10.013 -0.263 6.463
79 HA TYR 13 HA TYR 13 12.194 -0.015 8.445
80 1HB TYR 13 2HB TYR 13 12.036 -2.445 6.740
81 2HB TYR 13 1HB TYR 13 12.699 -2.248 8.357
82 HD1 TYR 13 HD2 TYR 13 9.615 -2.693 6.397
83 HD2 TYR 13 HD1 TYR 13 11.339 -2.556 10.299
84 HE1 TYR 13 HE2 TYR 13 7.546 -3.638 7.346
85 HE2 TYR 13 HE1 TYR 13 9.268 -3.502 11.245
86 HH TYR 13 HH TYR 13 7.131 -5.106 9.762
87 H ASN 14 H ASN 14 14.343 -0.209 7.520
88 HA ASN 14 HA ASN 14 14.646 1.280 5.116
89 1HB ASN 14 2HB ASN 14 16.809 -0.359 6.417
90 2HB ASN 14 1HB ASN 14 16.961 1.146 5.520
91 1HD2 ASN 14 2HD2 ASN 14 17.337 2.204 8.911
92 2HD2 ASN 14 1HD2 ASN 14 18.208 1.434 7.645
93 H GLU 15 H GLU 15 13.919 -1.940 5.649
94 HA GLU 15 HA GLU 15 15.343 -3.007 3.341
95 1HB GLU 15 2HB GLU 15 14.385 -4.078 5.733
96 2HB GLU 15 1HB GLU 15 13.327 -4.742 4.490
97 1HG GLU 15 2HG GLU 15 14.947 -6.269 4.153
98 2HG GLU 15 1HG GLU 15 15.835 -4.971 3.353
99 H ASN 16 H ASN 16 12.345 -1.541 4.045
100 HA ASN 16 HA ASN 16 11.022 -2.740 1.714
101 1HB ASN 16 2HB ASN 16 9.982 -2.291 4.109
102 2HB ASN 16 1HB ASN 16 9.695 -0.692 3.422
103 1HD2 ASN 16 2HD2 ASN 16 6.673 -2.134 2.330
104 2HD2 ASN 16 1HD2 ASN 16 7.433 -1.148 3.528
105 H CYS 17 H CYS 17 13.194 -0.433 2.041
106 HA CYS 17 HA CYS 17 11.843 1.663 0.512
107 1HB CYS 17 2HB CYS 17 14.116 1.533 2.275
108 2HB CYS 17 1HB CYS 17 14.580 2.249 0.736
109 H CYS 18 H CYS 18 12.451 2.274 -1.560
110 HA CYS 18 HA CYS 18 13.237 0.223 -3.331
111 1HB CYS 18 2HB CYS 18 12.953 3.206 -3.609
112 2HB CYS 18 1HB CYS 18 13.483 2.197 -4.945
113 H SER 19 H SER 19 14.905 2.872 -1.781
114 HA SER 19 HA SER 19 17.441 2.190 -3.045
115 1HB SER 19 2HB SER 19 18.192 4.270 -2.407
116 2HB SER 19 1HB SER 19 16.469 4.593 -2.567
117 HG SER 19 HG SER 19 17.287 5.362 -0.559
118 H GLN 20 H GLN 20 15.651 1.236 -0.419
119 HA GLN 20 HA GLN 20 16.144 -0.120 1.362
120 1HB GLN 20 2HB GLN 20 18.405 -0.385 -0.336
121 2HB GLN 20 1HB GLN 20 18.984 -0.231 1.320
122 1HG GLN 20 2HG GLN 20 18.478 -2.596 0.523
123 2HG GLN 20 1HG GLN 20 17.725 -2.109 2.043
124 1HE2 GLN 20 2HE2 GLN 20 15.475 -2.924 -1.244
125 2HE2 GLN 20 1HE2 GLN 20 17.200 -2.863 -1.304
126 H SER 21 H SER 21 16.783 2.997 1.051
127 HA SER 21 HA SER 21 18.053 3.258 3.706
128 1HB SER 21 2HB SER 21 18.257 4.840 1.198
129 2HB SER 21 1HB SER 21 18.326 5.715 2.722
130 HG SER 21 HG SER 21 20.066 4.356 3.334
131 H CYS 22 H CYS 22 16.397 3.407 5.125
132 HA CYS 22 HA CYS 22 14.109 5.147 4.494
133 1HB CYS 22 2HB CYS 22 14.575 2.881 6.371
134 2HB CYS 22 1HB CYS 22 13.388 4.095 6.816
135 H THR 23 H THR 23 13.785 7.036 5.534
136 HA THR 23 HA THR 23 15.598 7.720 7.770
137 HB THR 23 HB THR 23 16.436 9.019 6.051
138 HG1 THR 23 HG1 THR 23 16.126 10.680 7.305
139 1HG2 THR 23 1HG2 THR 23 13.600 9.395 5.089
140 2HG2 THR 23 3HG2 THR 23 15.011 10.183 4.380
141 3HG2 THR 23 2HG2 THR 23 14.860 8.425 4.322
142 H PHE 24 H PHE 24 14.696 9.825 8.867
143 HA PHE 24 HA PHE 24 11.805 9.423 9.344
144 1HB PHE 24 2HB PHE 24 14.034 9.412 11.128
145 2HB PHE 24 1HB PHE 24 13.023 10.799 11.505
146 HD1 PHE 24 HD2 PHE 24 10.446 10.281 11.651
147 HD2 PHE 24 HD1 PHE 24 13.541 7.371 12.067
148 HE1 PHE 24 HE2 PHE 24 8.896 8.806 12.873
149 HE2 PHE 24 HE1 PHE 24 11.991 5.898 13.292
150 HZ PHE 24 HZ PHE 24 9.668 6.615 13.695
151 H LYS 25 H LYS 25 10.648 11.050 8.528
152 HA LYS 25 HA LYS 25 11.848 13.739 8.366
153 1HB LYS 25 2HB LYS 25 10.693 12.345 6.386
154 2HB LYS 25 1HB LYS 25 9.262 13.136 7.042
155 1HG LYS 25 2HG LYS 25 9.980 15.236 6.449
156 2HG LYS 25 1HG LYS 25 11.684 14.808 6.586
157 1HD LYS 25 2HD LYS 25 11.698 13.739 4.481
158 2HD LYS 25 1HD LYS 25 9.939 13.668 4.413
159 1HE LYS 25 2HE LYS 25 11.496 16.256 4.408
160 2HE LYS 25 1HE LYS 25 11.011 15.418 2.937
161 1HZ LYS 25 2HZ LYS 25 9.067 16.178 5.033
162 2HZ LYS 25 1HZ LYS 25 9.494 17.233 3.772
163 3HZ LYS 25 3HZ LYS 25 8.761 15.745 3.420
164 H GLU 26 H GLU 26 10.461 15.570 8.905
165 HA GLU 26 HA GLU 26 8.728 14.939 11.173
166 1HB GLU 26 2HB GLU 26 10.761 16.593 11.204
167 2HB GLU 26 1HB GLU 26 9.597 17.712 10.498
168 1HG GLU 26 2HG GLU 26 9.070 18.158 12.656
169 2HG GLU 26 1HG GLU 26 8.137 16.663 12.549
170 H ASN 27 H ASN 27 6.627 15.540 11.265
171 HA ASN 27 HA ASN 27 5.414 16.515 8.779
172 1HB ASN 27 2HB ASN 27 3.475 15.789 10.758
173 2HB ASN 27 1HB ASN 27 3.794 15.039 9.201
174 1HD2 ASN 27 2HD2 ASN 27 4.519 12.932 12.402
175 2HD2 ASN 27 1HD2 ASN 27 3.372 14.207 12.207
176 H GLU 28 H GLU 28 3.215 17.714 9.402
177 HA GLU 28 HA GLU 28 4.045 20.104 10.831
178 1HB GLU 28 2HB GLU 28 2.945 20.167 8.557
179 2HB GLU 28 1HB GLU 28 1.462 19.640 9.349
180 1HG GLU 28 2HG GLU 28 2.281 21.748 10.930
181 2HG GLU 28 1HG GLU 28 2.721 22.281 9.306
182 H ASN 29 H ASN 29 2.240 17.277 11.355
183 HA ASN 29 HA ASN 29 0.298 18.261 13.192
184 1HB ASN 29 2HB ASN 29 0.466 15.974 11.912
185 2HB ASN 29 1HB ASN 29 1.377 15.476 13.339
186 1HD2 ASN 29 2HD2 ASN 29 -1.605 14.709 14.942
187 2HD2 ASN 29 1HD2 ASN 29 -0.022 14.232 14.440
188 H GLY 30 H GLY 30 3.649 17.845 13.387
189 1HA GLY 30 2HA GLY 30 4.951 18.631 15.193
190 2HA GLY 30 1HA GLY 30 3.588 18.326 16.265
191 H ASN 31 H ASN 31 4.372 15.917 13.951
192 HA ASN 31 HA ASN 31 5.717 14.288 16.020
193 1HB ASN 31 2HB ASN 31 3.333 13.730 14.365
194 2HB ASN 31 1HB ASN 31 4.512 12.424 14.472
195 1HD2 ASN 31 2HD2 ASN 31 2.097 12.127 17.285
196 2HD2 ASN 31 1HD2 ASN 31 1.983 12.176 15.563
197 H THR 32 H THR 32 6.449 12.140 14.596
198 HA THR 32 HA THR 32 7.773 13.082 12.155
199 HB THR 32 HB THR 32 9.257 13.338 14.231
200 HG1 THR 32 HG1 THR 32 10.354 13.451 12.391
201 1HG2 THR 32 3HG2 THR 32 9.214 10.337 13.945
202 2HG2 THR 32 2HG2 THR 32 10.488 11.216 14.792
203 3HG2 THR 32 1HG2 THR 32 8.824 11.291 15.377
204 H VAL 33 H VAL 33 7.791 11.600 10.588
205 HA VAL 33 HA VAL 33 7.097 8.813 11.290
206 HB VAL 33 HB VAL 33 6.539 9.878 8.575
207 1HG1 VAL 33 2HG1 VAL 33 5.695 7.682 10.306
208 2HG1 VAL 33 1HG1 VAL 33 4.357 8.471 9.466
209 3HG1 VAL 33 3HG1 VAL 33 5.704 7.800 8.545
210 1HG2 VAL 33 1HG2 VAL 33 5.213 10.837 11.059
211 2HG2 VAL 33 3HG2 VAL 33 5.479 11.669 9.525
212 3HG2 VAL 33 2HG2 VAL 33 4.184 10.478 9.670
213 H LYS 34 H LYS 34 7.685 7.432 9.150
214 HA LYS 34 HA LYS 34 10.490 8.120 8.522
215 1HB LYS 34 2HB LYS 34 9.172 5.588 9.326
216 2HB LYS 34 1HB LYS 34 10.436 5.477 8.105
217 1HG LYS 34 2HG LYS 34 12.072 6.329 9.544
218 2HG LYS 34 1HG LYS 34 10.879 7.047 10.623
219 1HD LYS 34 2HD LYS 34 10.591 5.125 11.787
220 2HD LYS 34 1HD LYS 34 10.676 4.122 10.342
221 1HE LYS 34 2HE LYS 34 13.130 4.387 10.322
222 2HE LYS 34 1HE LYS 34 13.029 5.353 11.789
223 1HZ LYS 34 2HZ LYS 34 11.778 2.716 11.821
224 2HZ LYS 34 1HZ LYS 34 13.475 2.772 11.839
225 3HZ LYS 34 3HZ LYS 34 12.590 3.549 13.059
226 H ARG 35 H ARG 35 10.902 8.478 6.443
227 HA ARG 35 HA ARG 35 9.017 7.452 4.413
228 1HB ARG 35 2HB ARG 35 10.434 10.058 4.716
229 2HB ARG 35 1HB ARG 35 10.142 9.449 3.089
230 1HG ARG 35 2HG ARG 35 7.929 9.866 3.205
231 2HG ARG 35 1HG ARG 35 7.810 9.263 4.856
232 1HD ARG 35 2HD ARG 35 9.227 11.588 5.202
233 2HD ARG 35 1HD ARG 35 8.143 12.012 3.880
234 HE ARG 35 HE ARG 35 6.714 10.688 5.949
235 1HH1 ARG 35 1HH2 ARG 35 8.164 13.713 5.017
236 2HH1 ARG 35 2HH2 ARG 35 7.171 14.665 6.069
237 1HH2 ARG 35 2HH1 ARG 35 5.432 11.931 7.381
238 2HH2 ARG 35 1HH1 ARG 35 5.618 13.653 7.412
239 H CYS 36 H CYS 36 10.412 7.854 2.155
240 HA CYS 36 HA CYS 36 12.716 6.041 2.464
241 1HB CYS 36 2HB CYS 36 10.593 5.561 0.991
242 2HB CYS 36 1HB CYS 36 11.405 6.605 -0.158
243 H ASP 37 HN ASP 37 14.647 6.475 1.392
244 HA ASP 37 HA ASP 37 15.157 9.309 0.922
245 1HB ASP 37 2HB ASP 37 16.814 6.899 1.490
246 2HB ASP 37 1HB ASP 37 17.566 8.229 0.608
No H/Q in entry = 246
Start of MODEL 4
1 1H SER 1 2H SER 1 5.485 2.972 -8.918
2 2H SER 1 1H SER 1 5.414 4.418 -8.030
3 3H SER 1 3H SER 1 6.884 3.585 -8.172
4 HA SER 1 HA SER 1 6.437 2.595 -6.270
5 1HB SER 1 2HB SER 1 4.520 3.051 -5.005
6 2HB SER 1 1HB SER 1 4.714 4.487 -6.003
7 HG SER 1 HG SER 1 3.166 3.511 -7.459
8 HA PRO 2 HA PRO 2 4.708 -0.952 -8.694
9 1HB PRO 2 2HB PRO 2 6.946 -2.472 -8.652
10 2HB PRO 2 1HB PRO 2 6.621 -1.255 -9.895
11 1HG PRO 2 2HG PRO 2 8.451 -1.133 -7.567
12 2HG PRO 2 1HG PRO 2 8.608 -0.392 -9.169
13 1HD PRO 2 2HD PRO 2 7.816 0.935 -6.865
14 2HD PRO 2 1HD PRO 2 7.526 1.496 -8.523
15 H THR 3 H THR 3 6.977 -1.131 -5.972
16 HA THR 3 HA THR 3 5.071 -2.618 -4.382
17 HB THR 3 HB THR 3 6.403 -4.247 -5.894
18 HG1 THR 3 HG1 THR 3 5.126 -4.824 -4.049
19 1HG2 THR 3 1HG2 THR 3 8.467 -3.646 -3.772
20 2HG2 THR 3 3HG2 THR 3 8.540 -4.981 -4.923
21 3HG2 THR 3 2HG2 THR 3 8.620 -3.315 -5.499
22 H CYS 4 H CYS 4 8.464 -1.647 -4.675
23 HA CYS 4 HA CYS 4 8.824 -1.328 -1.845
24 1HB CYS 4 2HB CYS 4 11.003 -0.431 -2.461
25 2HB CYS 4 1HB CYS 4 10.680 -1.932 -3.311
26 H ILE 5 H ILE 5 9.314 0.687 -0.796
27 HA ILE 5 HA ILE 5 7.498 2.802 -1.565
28 HB ILE 5 HB ILE 5 9.445 2.465 0.707
29 1HG1 ILE 5 2HG1 ILE 5 6.821 2.741 1.635
30 2HG1 ILE 5 1HG1 ILE 5 6.698 1.691 0.226
31 1HG2 ILE 5 2HG2 ILE 5 8.391 4.884 -0.288
32 2HG2 ILE 5 1HG2 ILE 5 7.497 4.510 1.187
33 3HG2 ILE 5 3HG2 ILE 5 9.257 4.619 1.228
34 1HD1 ILE 5 1HD1 ILE 5 8.899 1.116 2.138
35 2HD1 ILE 5 3HD1 ILE 5 7.257 0.757 2.677
36 3HD1 ILE 5 2HD1 ILE 5 7.890 0.004 1.210
37 HA PRO 6 HA PRO 6 10.835 4.697 -3.938
38 1HB PRO 6 2HB PRO 6 9.293 6.573 -5.132
39 2HB PRO 6 1HB PRO 6 9.417 4.901 -5.699
40 1HG PRO 6 2HG PRO 6 7.261 6.200 -4.111
41 2HG PRO 6 1HG PRO 6 7.141 4.972 -5.384
42 1HD PRO 6 2HD PRO 6 6.952 4.413 -2.710
43 2HD PRO 6 1HD PRO 6 7.502 3.243 -3.928
44 H SER 7 H SER 7 11.863 6.731 -3.931
45 HA SER 7 HA SER 7 12.130 8.008 -1.503
46 1HB SER 7 2HB SER 7 13.230 9.828 -2.748
47 2HB SER 7 1HB SER 7 13.758 8.239 -3.290
48 HG SER 7 HG SER 7 11.839 9.942 -4.538
49 H GLY 8 H GLY 8 10.927 9.375 -0.366
50 1HA GLY 8 2HA GLY 8 9.659 11.380 -0.114
51 2HA GLY 8 1HA GLY 8 9.045 11.165 -1.752
52 H GLN 9 H GLN 9 8.946 8.176 -0.434
53 HA GLN 9 HA GLN 9 6.131 8.503 0.397
54 1HB GLN 9 2HB GLN 9 7.492 6.618 -1.312
55 2HB GLN 9 1HB GLN 9 6.684 5.780 0.012
56 1HG GLN 9 2HG GLN 9 4.804 5.946 -1.205
57 2HG GLN 9 1HG GLN 9 4.819 7.665 -0.810
58 1HE2 GLN 9 2HE2 GLN 9 6.433 8.546 -3.944
59 2HE2 GLN 9 1HE2 GLN 9 6.600 8.837 -2.250
60 HA PRO 10 HA PRO 10 7.153 7.189 4.474
61 1HB PRO 10 2HB PRO 10 4.858 5.972 5.240
62 2HB PRO 10 1HB PRO 10 5.022 7.728 5.072
63 1HG PRO 10 2HG PRO 10 3.722 5.770 3.259
64 2HG PRO 10 1HG PRO 10 3.285 7.451 3.610
65 1HD PRO 10 2HD PRO 10 4.614 6.609 1.338
66 2HD PRO 10 1HD PRO 10 4.633 8.268 1.971
67 H CYS 11 H CYS 11 8.573 5.618 4.871
68 HA CYS 11 HA CYS 11 7.930 2.851 4.061
69 1HB CYS 11 2HB CYS 11 10.223 2.428 3.836
70 2HB CYS 11 1HB CYS 11 10.001 4.023 3.131
71 HA PRO 12 HA PRO 12 7.730 1.853 8.368
72 1HB PRO 12 2HB PRO 12 7.853 -0.845 8.169
73 2HB PRO 12 1HB PRO 12 6.412 0.095 7.751
74 1HG PRO 12 2HG PRO 12 8.409 -1.183 5.977
75 2HG PRO 12 1HG PRO 12 6.678 -0.906 5.720
76 1HD PRO 12 2HD PRO 12 8.738 0.612 4.627
77 2HD PRO 12 1HD PRO 12 7.040 1.110 4.750
78 H TYR 13 H TYR 13 10.152 0.125 6.424
79 HA TYR 13 HA TYR 13 12.172 0.650 8.483
80 1HB TYR 13 2HB TYR 13 12.168 -2.069 7.285
81 2HB TYR 13 1HB TYR 13 12.752 -1.534 8.855
82 HD1 TYR 13 HD2 TYR 13 10.944 -0.817 10.571
83 HD2 TYR 13 HD1 TYR 13 10.150 -3.180 7.107
84 HE1 TYR 13 HE2 TYR 13 8.867 -1.643 11.607
85 HE2 TYR 13 HE1 TYR 13 8.074 -4.005 8.147
86 HH TYR 13 HH TYR 13 6.470 -3.281 9.884
87 H ASN 14 H ASN 14 14.387 0.112 7.637
88 HA ASN 14 HA ASN 14 14.762 1.296 5.080
89 1HB ASN 14 2HB ASN 14 16.832 -0.321 6.549
90 2HB ASN 14 1HB ASN 14 17.069 1.052 5.479
91 1HD2 ASN 14 2HD2 ASN 14 17.574 2.507 8.690
92 2HD2 ASN 14 1HD2 ASN 14 18.370 1.560 7.496
93 H GLU 15 H GLU 15 13.840 -1.793 5.986
94 HA GLU 15 HA GLU 15 15.101 -3.138 3.710
95 1HB GLU 15 2HB GLU 15 14.315 -3.935 6.301
96 2HB GLU 15 1HB GLU 15 13.268 -4.792 5.173
97 1HG GLU 15 2HG GLU 15 15.058 -5.876 4.137
98 2HG GLU 15 1HG GLU 15 16.231 -4.682 4.695
99 H ASN 16 H ASN 16 12.740 -1.105 3.758
100 HA ASN 16 HA ASN 16 11.056 -2.655 1.901
101 1HB ASN 16 2HB ASN 16 10.122 -2.219 4.338
102 2HB ASN 16 1HB ASN 16 9.754 -0.632 3.663
103 1HD2 ASN 16 2HD2 ASN 16 6.729 -2.099 2.660
104 2HD2 ASN 16 1HD2 ASN 16 7.521 -1.039 3.770
105 H CYS 17 H CYS 17 13.202 -0.398 1.947
106 HA CYS 17 HA CYS 17 11.715 1.700 0.529
107 1HB CYS 17 2HB CYS 17 14.052 1.628 2.189
108 2HB CYS 17 1HB CYS 17 14.473 2.293 0.617
109 H CYS 18 H CYS 18 12.157 2.273 -1.583
110 HA CYS 18 HA CYS 18 12.899 0.241 -3.383
111 1HB CYS 18 2HB CYS 18 12.649 3.229 -3.674
112 2HB CYS 18 1HB CYS 18 13.036 2.176 -5.022
113 H SER 19 H SER 19 14.637 2.951 -1.982
114 HA SER 19 HA SER 19 17.107 2.238 -3.345
115 1HB SER 19 2HB SER 19 17.872 4.334 -2.798
116 2HB SER 19 1HB SER 19 16.139 4.644 -2.828
117 HG SER 19 HG SER 19 16.500 5.304 -0.833
118 H GLN 20 H GLN 20 15.484 1.215 -0.681
119 HA GLN 20 HA GLN 20 16.057 -0.082 1.109
120 1HB GLN 20 2HB GLN 20 18.662 -0.013 -0.372
121 2HB GLN 20 1HB GLN 20 18.573 -0.730 1.233
122 1HG GLN 20 2HG GLN 20 17.014 -1.546 -1.225
123 2HG GLN 20 1HG GLN 20 18.246 -2.483 -0.381
124 1HE2 GLN 20 2HE2 GLN 20 14.501 -3.016 0.648
125 2HE2 GLN 20 1HE2 GLN 20 15.099 -2.451 -0.872
126 H SER 21 H SER 21 16.756 3.031 0.728
127 HA SER 21 HA SER 21 18.142 3.287 3.325
128 1HB SER 21 2HB SER 21 18.171 4.931 0.829
129 2HB SER 21 1HB SER 21 18.456 5.709 2.377
130 HG SER 21 HG SER 21 19.863 3.416 1.435
131 H CYS 22 H CYS 22 16.618 3.535 4.854
132 HA CYS 22 HA CYS 22 14.281 5.238 4.294
133 1HB CYS 22 2HB CYS 22 14.839 2.992 6.155
134 2HB CYS 22 1HB CYS 22 13.712 4.229 6.695
135 H THR 23 H THR 23 13.653 6.836 5.848
136 HA THR 23 HA THR 23 15.681 7.690 7.785
137 HB THR 23 HB THR 23 16.418 9.014 6.044
138 HG1 THR 23 HG1 THR 23 15.660 11.092 6.494
139 1HG2 THR 23 1HG2 THR 23 13.544 9.150 5.156
140 2HG2 THR 23 3HG2 THR 23 14.803 10.182 4.473
141 3HG2 THR 23 2HG2 THR 23 14.917 8.428 4.312
142 H PHE 24 H PHE 24 14.758 9.793 8.905
143 HA PHE 24 HA PHE 24 11.881 9.364 9.447
144 1HB PHE 24 2HB PHE 24 14.147 9.256 11.204
145 2HB PHE 24 1HB PHE 24 13.103 10.589 11.674
146 HD1 PHE 24 HD1 PHE 24 10.549 10.003 11.821
147 HD2 PHE 24 HD2 PHE 24 13.712 7.143 12.002
148 HE1 PHE 24 HE1 PHE 24 9.048 8.414 12.960
149 HE2 PHE 24 HE2 PHE 24 12.211 5.555 13.139
150 HZ PHE 24 HZ PHE 24 9.878 6.190 13.619
151 H LYS 25 H LYS 25 10.725 11.072 8.802
152 HA LYS 25 HA LYS 25 11.948 13.759 8.955
153 1HB LYS 25 2HB LYS 25 11.304 12.670 6.655
154 2HB LYS 25 1HB LYS 25 9.669 13.135 7.121
155 1HG LYS 25 2HG LYS 25 10.616 15.466 7.545
156 2HG LYS 25 1HG LYS 25 12.064 14.918 6.704
157 1HD LYS 25 2HD LYS 25 10.047 14.143 4.998
158 2HD LYS 25 1HD LYS 25 9.444 15.672 5.635
159 1HE LYS 25 2HE LYS 25 10.959 16.866 4.481
160 2HE LYS 25 1HE LYS 25 12.273 15.781 4.928
161 1HZ LYS 25 2HZ LYS 25 10.275 15.016 2.895
162 2HZ LYS 25 1HZ LYS 25 11.639 15.943 2.485
163 3HZ LYS 25 3HZ LYS 25 11.835 14.390 3.140
164 H GLU 26 H GLU 26 10.638 15.457 9.698
165 HA GLU 26 HA GLU 26 8.503 14.613 11.473
166 1HB GLU 26 2HB GLU 26 10.470 16.313 11.927
167 2HB GLU 26 1HB GLU 26 9.344 17.457 11.203
168 1HG GLU 26 2HG GLU 26 7.736 17.116 12.889
169 2HG GLU 26 1HG GLU 26 8.485 15.610 13.420
170 H ASN 27 H ASN 27 6.394 15.214 11.310
171 HA ASN 27 HA ASN 27 5.545 16.320 8.729
172 1HB ASN 27 2HB ASN 27 3.344 15.528 10.389
173 2HB ASN 27 1HB ASN 27 3.872 14.848 8.856
174 1HD2 ASN 27 2HD2 ASN 27 4.110 12.532 11.956
175 2HD2 ASN 27 1HD2 ASN 27 2.972 13.790 11.628
176 H GLU 28 H GLU 28 3.121 17.347 9.297
177 HA GLU 28 HA GLU 28 3.798 19.802 10.694
178 1HB GLU 28 2HB GLU 28 2.766 19.972 8.489
179 2HB GLU 28 1HB GLU 28 1.379 19.045 9.055
180 1HG GLU 28 2HG GLU 28 0.564 20.791 10.338
181 2HG GLU 28 1HG GLU 28 2.154 21.533 10.524
182 H ASN 29 H ASN 29 1.910 16.940 11.089
183 HA ASN 29 HA ASN 29 0.001 17.816 12.960
184 1HB ASN 29 2HB ASN 29 0.241 15.547 11.704
185 2HB ASN 29 1HB ASN 29 1.230 15.085 13.089
186 1HD2 ASN 29 2HD2 ASN 29 -1.814 14.008 14.470
187 2HD2 ASN 29 1HD2 ASN 29 -0.343 13.540 13.694
188 H GLY 30 H GLY 30 3.385 17.313 13.211
189 1HA GLY 30 2HA GLY 30 4.634 18.249 15.019
190 2HA GLY 30 1HA GLY 30 3.270 17.905 16.078
191 H ASN 31 H ASN 31 4.011 15.432 13.860
192 HA ASN 31 HA ASN 31 5.356 13.876 15.983
193 1HB ASN 31 2HB ASN 31 3.261 13.187 13.970
194 2HB ASN 31 1HB ASN 31 4.399 11.939 14.471
195 1HD2 ASN 31 2HD2 ASN 31 1.611 11.630 16.793
196 2HD2 ASN 31 1HD2 ASN 31 1.973 11.324 15.131
197 H THR 32 H THR 32 6.329 11.787 14.652
198 HA THR 32 HA THR 32 7.837 12.779 12.339
199 HB THR 32 HB THR 32 9.044 13.014 14.666
200 HG1 THR 32 HG1 THR 32 9.947 13.355 12.554
201 1HG2 THR 32 3HG2 THR 32 8.592 10.474 15.051
202 2HG2 THR 32 2HG2 THR 32 9.983 10.251 13.988
203 3HG2 THR 32 1HG2 THR 32 10.159 11.154 15.494
204 H VAL 33 H VAL 33 7.793 11.337 10.764
205 HA VAL 33 HA VAL 33 7.362 8.490 11.444
206 HB VAL 33 HB VAL 33 6.591 9.556 8.782
207 1HG1 VAL 33 1HG1 VAL 33 6.030 7.250 10.483
208 2HG1 VAL 33 3HG1 VAL 33 4.589 7.933 9.727
209 3HG1 VAL 33 2HG1 VAL 33 5.948 7.412 8.727
210 1HG2 VAL 33 1HG2 VAL 33 5.291 10.310 11.353
211 2HG2 VAL 33 3HG2 VAL 33 5.436 11.224 9.851
212 3HG2 VAL 33 2HG2 VAL 33 4.250 9.924 9.981
213 H LYS 34 H LYS 34 7.874 7.275 9.127
214 HA LYS 34 HA LYS 34 10.638 8.087 8.471
215 1HB LYS 34 2HB LYS 34 9.412 5.469 9.121
216 2HB LYS 34 1HB LYS 34 10.609 5.478 7.829
217 1HG LYS 34 2HG LYS 34 12.283 6.381 9.268
218 2HG LYS 34 1HG LYS 34 11.098 6.742 10.522
219 1HD LYS 34 2HD LYS 34 12.080 4.789 11.323
220 2HD LYS 34 1HD LYS 34 10.660 4.171 10.485
221 1HE LYS 34 2HE LYS 34 12.345 2.770 9.708
222 2HE LYS 34 1HE LYS 34 12.255 3.988 8.438
223 1HZ LYS 34 2HZ LYS 34 14.028 5.023 10.225
224 2HZ LYS 34 1HZ LYS 34 14.403 3.366 10.220
225 3HZ LYS 34 3HZ LYS 34 14.421 4.242 8.768
226 H ARG 35 H ARG 35 11.182 8.248 6.346
227 HA ARG 35 HA ARG 35 9.172 7.455 4.335
228 1HB ARG 35 2HB ARG 35 10.821 9.986 4.415
229 2HB ARG 35 1HB ARG 35 9.845 9.471 3.041
230 1HG ARG 35 2HG ARG 35 7.853 9.874 4.130
231 2HG ARG 35 1HG ARG 35 8.558 9.648 5.728
232 1HD ARG 35 2HD ARG 35 9.772 11.791 5.461
233 2HD ARG 35 1HD ARG 35 8.986 12.021 3.900
234 HE ARG 35 HE ARG 35 7.056 12.615 5.024
235 1HH1 ARG 35 1HH2 ARG 35 9.089 10.764 7.138
236 2HH1 ARG 35 2HH2 ARG 35 8.263 11.247 8.582
237 1HH2 ARG 35 2HH1 ARG 35 6.044 13.394 6.940
238 2HH2 ARG 35 1HH1 ARG 35 6.532 12.742 8.469
239 H CYS 36 H CYS 36 10.554 8.018 2.060
240 HA CYS 36 HA CYS 36 12.872 6.201 2.274
241 1HB CYS 36 2HB CYS 36 10.698 5.746 0.823
242 2HB CYS 36 1HB CYS 36 11.557 6.746 -0.334
243 H ASP 37 HN ASP 37 14.771 6.693 1.258
244 HA ASP 37 HA ASP 37 15.359 9.485 0.900
245 1HB ASP 37 2HB ASP 37 16.904 6.931 0.905
246 2HB ASP 37 1HB ASP 37 17.636 8.357 0.168
No H/Q in entry = 246
Start of MODEL 5
1 1H SER 1 3H SER 1 10.915 0.448 -7.325
2 2H SER 1 2H SER 1 11.877 -0.654 -8.188
3 3H SER 1 1H SER 1 11.144 0.650 -8.992
4 HA SER 1 HA SER 1 9.645 -0.898 -9.562
5 1HB SER 1 2HB SER 1 10.528 -2.308 -7.057
6 2HB SER 1 1HB SER 1 9.099 -2.821 -7.948
7 HG SER 1 HG SER 1 10.737 -3.961 -8.861
8 HA PRO 2 HA PRO 2 6.185 0.874 -7.505
9 1HB PRO 2 2HB PRO 2 4.182 -0.785 -8.249
10 2HB PRO 2 1HB PRO 2 4.959 0.358 -9.355
11 1HG PRO 2 2HG PRO 2 5.282 -2.576 -9.142
12 2HG PRO 2 1HG PRO 2 5.408 -1.523 -10.560
13 1HD PRO 2 2HD PRO 2 7.553 -2.588 -9.137
14 2HD PRO 2 1HD PRO 2 7.635 -1.224 -10.269
15 H THR 3 H THR 3 7.281 -2.231 -6.676
16 HA THR 3 HA THR 3 5.306 -2.782 -4.638
17 HB THR 3 HB THR 3 6.759 -4.449 -6.016
18 HG1 THR 3 HG1 THR 3 5.540 -5.481 -4.624
19 1HG2 THR 3 2HG2 THR 3 8.602 -3.836 -3.701
20 2HG2 THR 3 1HG2 THR 3 8.770 -5.202 -4.806
21 3HG2 THR 3 3HG2 THR 3 8.940 -3.552 -5.410
22 H CYS 4 H CYS 4 8.717 -1.829 -4.711
23 HA CYS 4 HA CYS 4 8.881 -1.437 -1.872
24 1HB CYS 4 2HB CYS 4 11.095 -0.541 -2.367
25 2HB CYS 4 1HB CYS 4 10.838 -2.069 -3.191
26 H ILE 5 H ILE 5 9.274 0.612 -0.842
27 HA ILE 5 HA ILE 5 7.509 2.686 -1.811
28 HB ILE 5 HB ILE 5 9.345 2.638 0.574
29 1HG1 ILE 5 2HG1 ILE 5 6.557 2.385 1.200
30 2HG1 ILE 5 1HG1 ILE 5 7.011 1.140 0.038
31 1HG2 ILE 5 1HG2 ILE 5 8.421 4.875 -0.344
32 2HG2 ILE 5 3HG2 ILE 5 6.871 4.313 0.286
33 3HG2 ILE 5 2HG2 ILE 5 8.241 4.528 1.378
34 1HD1 ILE 5 3HD1 ILE 5 9.064 1.388 2.029
35 2HD1 ILE 5 2HD1 ILE 5 7.499 1.161 2.813
36 3HD1 ILE 5 1HD1 ILE 5 8.072 -0.014 1.627
37 HA PRO 6 HA PRO 6 10.930 4.641 -3.940
38 1HB PRO 6 2HB PRO 6 9.445 6.523 -5.197
39 2HB PRO 6 1HB PRO 6 9.594 4.852 -5.761
40 1HG PRO 6 2HG PRO 6 7.351 6.171 -4.343
41 2HG PRO 6 1HG PRO 6 7.320 4.867 -5.541
42 1HD PRO 6 2HD PRO 6 7.030 4.529 -2.802
43 2HD PRO 6 1HD PRO 6 7.482 3.248 -3.943
44 H SER 7 H SER 7 11.950 6.697 -3.899
45 HA SER 7 HA SER 7 12.099 7.939 -1.432
46 1HB SER 7 2HB SER 7 12.687 9.408 -3.984
47 2HB SER 7 1HB SER 7 13.506 9.528 -2.431
48 HG SER 7 HG SER 7 14.818 8.214 -3.575
49 H GLY 8 H GLY 8 10.763 9.215 -0.355
50 1HA GLY 8 2HA GLY 8 9.613 11.382 -0.313
51 2HA GLY 8 1HA GLY 8 8.896 10.948 -1.864
52 H GLN 9 H GLN 9 8.501 8.149 -0.945
53 HA GLN 9 HA GLN 9 5.948 8.571 0.395
54 1HB GLN 9 2HB GLN 9 7.214 6.356 -1.150
55 2HB GLN 9 1HB GLN 9 5.922 5.963 -0.019
56 1HG GLN 9 2HG GLN 9 4.390 7.432 -1.153
57 2HG GLN 9 1HG GLN 9 5.681 8.077 -2.167
58 1HE2 GLN 9 2HE2 GLN 9 4.481 4.202 -2.834
59 2HE2 GLN 9 1HE2 GLN 9 4.529 4.844 -1.232
60 HA PRO 10 HA PRO 10 7.281 7.134 4.334
61 1HB PRO 10 2HB PRO 10 5.048 5.931 5.277
62 2HB PRO 10 1HB PRO 10 5.216 7.686 5.115
63 1HG PRO 10 2HG PRO 10 3.725 5.767 3.419
64 2HG PRO 10 1HG PRO 10 3.370 7.462 3.792
65 1HD PRO 10 2HD PRO 10 4.498 6.539 1.426
66 2HD PRO 10 1HD PRO 10 4.551 8.214 2.010
67 H CYS 11 H CYS 11 8.444 5.471 5.075
68 HA CYS 11 HA CYS 11 7.835 2.746 4.106
69 1HB CYS 11 2HB CYS 11 10.162 2.278 3.970
70 2HB CYS 11 1HB CYS 11 9.900 3.798 3.126
71 HA PRO 12 HA PRO 12 7.632 1.775 8.425
72 1HB PRO 12 2HB PRO 12 7.643 -0.925 8.237
73 2HB PRO 12 1HB PRO 12 6.235 0.072 7.838
74 1HG PRO 12 2HG PRO 12 8.148 -1.296 6.040
75 2HG PRO 12 1HG PRO 12 6.428 -0.944 5.806
76 1HD PRO 12 2HD PRO 12 8.539 0.479 4.678
77 2HD PRO 12 1HD PRO 12 6.865 1.050 4.819
78 H TYR 13 H TYR 13 10.029 0.129 6.406
79 HA TYR 13 HA TYR 13 12.032 0.463 8.519
80 1HB TYR 13 2HB TYR 13 12.019 -2.152 7.110
81 2HB TYR 13 1HB TYR 13 12.596 -1.747 8.720
82 HD1 TYR 13 HD1 TYR 13 10.944 -1.442 10.572
83 HD2 TYR 13 HD2 TYR 13 9.833 -2.953 6.739
84 HE1 TYR 13 HE1 TYR 13 8.860 -2.344 11.529
85 HE2 TYR 13 HE2 TYR 13 7.750 -3.854 7.700
86 HH TYR 13 HH TYR 13 6.758 -4.441 9.721
87 H ASN 14 H ASN 14 14.244 0.042 7.680
88 HA ASN 14 HA ASN 14 14.636 1.338 5.168
89 1HB ASN 14 2HB ASN 14 16.738 -0.219 6.653
90 2HB ASN 14 1HB ASN 14 16.932 1.212 5.652
91 1HD2 ASN 14 2HD2 ASN 14 17.249 2.510 8.968
92 2HD2 ASN 14 1HD2 ASN 14 18.136 1.634 7.782
93 H GLU 15 H GLU 15 13.837 -1.808 5.984
94 HA GLU 15 HA GLU 15 15.248 -3.066 3.753
95 1HB GLU 15 2HB GLU 15 14.374 -3.933 6.276
96 2HB GLU 15 1HB GLU 15 13.359 -4.771 5.105
97 1HG GLU 15 2HG GLU 15 15.392 -5.514 3.905
98 2HG GLU 15 1HG GLU 15 16.385 -4.717 5.125
99 H ASN 16 H ASN 16 12.672 -1.173 3.880
100 HA ASN 16 HA ASN 16 11.191 -2.738 1.857
101 1HB ASN 16 2HB ASN 16 10.133 -2.288 4.245
102 2HB ASN 16 1HB ASN 16 9.758 -0.724 3.520
103 1HD2 ASN 16 2HD2 ASN 16 6.820 -2.323 2.438
104 2HD2 ASN 16 1HD2 ASN 16 7.526 -1.246 3.589
105 H CYS 17 H CYS 17 13.231 -0.305 2.131
106 HA CYS 17 HA CYS 17 11.776 1.701 0.590
107 1HB CYS 17 2HB CYS 17 14.082 1.683 2.295
108 2HB CYS 17 1HB CYS 17 14.520 2.337 0.724
109 H CYS 18 H CYS 18 12.226 2.252 -1.512
110 HA CYS 18 HA CYS 18 13.035 0.219 -3.283
111 1HB CYS 18 2HB CYS 18 12.629 3.185 -3.590
112 2HB CYS 18 1HB CYS 18 13.140 2.177 -4.932
113 H SER 19 H SER 19 14.687 2.957 -1.856
114 HA SER 19 HA SER 19 17.168 2.377 -3.259
115 1HB SER 19 2HB SER 19 17.864 4.476 -2.648
116 2HB SER 19 1HB SER 19 16.122 4.727 -2.642
117 HG SER 19 HG SER 19 17.125 5.482 -0.700
118 H GLN 20 H GLN 20 15.593 1.363 -0.499
119 HA GLN 20 HA GLN 20 16.258 -0.051 1.185
120 1HB GLN 20 2HB GLN 20 19.079 0.327 0.183
121 2HB GLN 20 1HB GLN 20 18.478 -0.958 1.229
122 1HG GLN 20 2HG GLN 20 17.087 -0.665 -1.364
123 2HG GLN 20 1HG GLN 20 18.760 -1.216 -1.451
124 1HE2 GLN 20 2HE2 GLN 20 16.049 -3.500 0.632
125 2HE2 GLN 20 1HE2 GLN 20 15.892 -1.781 0.577
126 H SER 21 H SER 21 16.789 3.111 0.904
127 HA SER 21 HA SER 21 18.101 3.347 3.541
128 1HB SER 21 2HB SER 21 18.262 4.983 1.056
129 2HB SER 21 1HB SER 21 18.384 5.806 2.604
130 HG SER 21 HG SER 21 19.893 3.499 2.403
131 H CYS 22 H CYS 22 16.550 3.616 5.038
132 HA CYS 22 HA CYS 22 14.210 5.292 4.395
133 1HB CYS 22 2HB CYS 22 14.716 3.053 6.289
134 2HB CYS 22 1HB CYS 22 13.551 4.278 6.763
135 H THR 23 H THR 23 13.738 7.105 5.595
136 HA THR 23 HA THR 23 15.672 7.882 7.690
137 HB THR 23 HB THR 23 16.415 9.206 5.959
138 HG1 THR 23 HG1 THR 23 16.053 10.869 7.197
139 1HG2 THR 23 3HG2 THR 23 13.557 9.514 5.032
140 2HG2 THR 23 2HG2 THR 23 14.970 10.236 4.259
141 3HG2 THR 23 1HG2 THR 23 14.784 8.482 4.297
142 H PHE 24 H PHE 24 14.748 10.000 8.790
143 HA PHE 24 HA PHE 24 11.876 9.559 9.343
144 1HB PHE 24 2HB PHE 24 14.145 9.465 11.093
145 2HB PHE 24 1HB PHE 24 13.092 10.789 11.567
146 HD1 PHE 24 HD1 PHE 24 10.531 10.172 11.678
147 HD2 PHE 24 HD2 PHE 24 13.733 7.360 11.911
148 HE1 PHE 24 HE1 PHE 24 9.041 8.566 12.808
149 HE2 PHE 24 HE2 PHE 24 12.243 5.755 13.040
150 HZ PHE 24 HZ PHE 24 9.897 6.358 13.489
151 H LYS 25 H LYS 25 10.689 11.255 8.746
152 HA LYS 25 HA LYS 25 11.899 13.950 8.828
153 1HB LYS 25 2HB LYS 25 9.698 12.913 7.034
154 2HB LYS 25 1HB LYS 25 10.329 14.558 7.040
155 1HG LYS 25 2HG LYS 25 12.597 13.585 6.522
156 2HG LYS 25 1HG LYS 25 11.802 12.029 6.294
157 1HD LYS 25 2HD LYS 25 10.725 12.710 4.364
158 2HD LYS 25 1HD LYS 25 10.765 14.413 4.818
159 1HE LYS 25 2HE LYS 25 12.854 14.728 3.968
160 2HE LYS 25 1HE LYS 25 13.390 13.108 4.402
161 1HZ LYS 25 2HZ LYS 25 11.364 13.338 2.317
162 2HZ LYS 25 1HZ LYS 25 12.943 13.822 1.921
163 3HZ LYS 25 3HZ LYS 25 12.654 12.242 2.464
164 H GLU 26 H GLU 26 10.507 15.688 9.465
165 HA GLU 26 HA GLU 26 8.493 14.843 11.405
166 1HB GLU 26 2HB GLU 26 10.417 16.347 12.053
167 2HB GLU 26 1HB GLU 26 9.664 17.595 11.064
168 1HG GLU 26 2HG GLU 26 8.436 18.150 12.855
169 2HG GLU 26 1HG GLU 26 7.600 16.607 12.677
170 H ASN 27 H ASN 27 6.395 15.486 11.331
171 HA ASN 27 HA ASN 27 5.469 16.688 8.823
172 1HB ASN 27 2HB ASN 27 3.364 15.874 10.630
173 2HB ASN 27 1HB ASN 27 3.714 15.316 8.999
174 1HD2 ASN 27 2HD2 ASN 27 4.175 12.733 11.849
175 2HD2 ASN 27 1HD2 ASN 27 3.052 14.040 11.740
176 H GLU 28 H GLU 28 3.108 17.770 9.514
177 HA GLU 28 HA GLU 28 3.908 20.150 10.977
178 1HB GLU 28 2HB GLU 28 2.755 20.274 8.751
179 2HB GLU 28 1HB GLU 28 1.317 19.618 9.530
180 1HG GLU 28 2HG GLU 28 2.050 21.704 11.198
181 2HG GLU 28 1HG GLU 28 2.391 22.332 9.585
182 H ASN 29 H ASN 29 2.101 17.282 11.406
183 HA ASN 29 HA ASN 29 0.250 18.173 13.376
184 1HB ASN 29 2HB ASN 29 0.323 15.966 11.972
185 2HB ASN 29 1HB ASN 29 1.313 15.375 13.307
186 1HD2 ASN 29 2HD2 ASN 29 -1.736 14.422 14.754
187 2HD2 ASN 29 1HD2 ASN 29 -0.298 13.909 13.945
188 H GLY 30 H GLY 30 3.600 17.745 13.416
189 1HA GLY 30 2HA GLY 30 4.994 18.394 15.198
190 2HA GLY 30 1HA GLY 30 3.663 18.089 16.310
191 H ASN 31 H ASN 31 4.088 15.669 13.974
192 HA ASN 31 HA ASN 31 5.396 13.923 15.962
193 1HB ASN 31 2HB ASN 31 3.276 13.478 13.906
194 2HB ASN 31 1HB ASN 31 4.337 12.141 14.337
195 1HD2 ASN 31 2HD2 ASN 31 2.587 11.415 17.230
196 2HD2 ASN 31 1HD2 ASN 31 3.620 10.916 15.938
197 H THR 32 H THR 32 6.351 11.916 14.610
198 HA THR 32 HA THR 32 7.831 12.907 12.282
199 HB THR 32 HB THR 32 9.071 13.135 14.589
200 HG1 THR 32 HG1 THR 32 10.165 13.618 12.765
201 1HG2 THR 32 1HG2 THR 32 8.670 10.739 15.198
202 2HG2 THR 32 3HG2 THR 32 9.736 10.279 13.869
203 3HG2 THR 32 2HG2 THR 32 10.369 11.218 15.223
204 H VAL 33 H VAL 33 7.763 11.474 10.704
205 HA VAL 33 HA VAL 33 7.336 8.626 11.382
206 HB VAL 33 HB VAL 33 6.549 9.688 8.723
207 1HG1 VAL 33 2HG1 VAL 33 5.968 7.403 10.459
208 2HG1 VAL 33 1HG1 VAL 33 4.545 8.081 9.665
209 3HG1 VAL 33 3HG1 VAL 33 5.917 7.536 8.698
210 1HG2 VAL 33 2HG2 VAL 33 5.168 10.360 11.301
211 2HG2 VAL 33 1HG2 VAL 33 5.488 11.392 9.905
212 3HG2 VAL 33 3HG2 VAL 33 4.235 10.152 9.817
213 H LYS 34 H LYS 34 7.884 7.357 9.143
214 HA LYS 34 HA LYS 34 10.622 8.216 8.435
215 1HB LYS 34 2HB LYS 34 9.448 5.591 9.142
216 2HB LYS 34 1HB LYS 34 10.626 5.593 7.831
217 1HG LYS 34 2HG LYS 34 12.308 6.538 9.220
218 2HG LYS 34 1HG LYS 34 11.142 6.929 10.482
219 1HD LYS 34 2HD LYS 34 11.338 4.891 11.402
220 2HD LYS 34 1HD LYS 34 11.102 4.099 9.847
221 1HE LYS 34 2HE LYS 34 13.255 3.500 9.931
222 2HE LYS 34 1HE LYS 34 13.662 5.197 9.693
223 1HZ LYS 34 3HZ LYS 34 13.059 4.201 12.393
224 2HZ LYS 34 2HZ LYS 34 14.594 3.927 11.718
225 3HZ LYS 34 1HZ LYS 34 14.024 5.514 11.924
226 H ARG 35 H ARG 35 11.129 8.407 6.316
227 HA ARG 35 HA ARG 35 9.113 7.584 4.321
228 1HB ARG 35 2HB ARG 35 10.605 10.144 4.663
229 2HB ARG 35 1HB ARG 35 10.240 9.597 3.029
230 1HG ARG 35 2HG ARG 35 8.027 10.019 3.249
231 2HG ARG 35 1HG ARG 35 7.983 9.435 4.911
232 1HD ARG 35 2HD ARG 35 9.276 11.625 5.460
233 2HD ARG 35 1HD ARG 35 8.692 12.168 3.887
234 HE ARG 35 HE ARG 35 6.534 11.115 5.380
235 1HH1 ARG 35 1HH2 ARG 35 8.738 13.808 5.293
236 2HH1 ARG 35 2HH2 ARG 35 7.622 14.917 6.017
237 1HH2 ARG 35 2HH1 ARG 35 5.045 12.574 6.325
238 2HH2 ARG 35 1HH1 ARG 35 5.522 14.216 6.603
239 H CYS 36 H CYS 36 10.482 8.034 2.030
240 HA CYS 36 HA CYS 36 12.774 6.190 2.273
241 1HB CYS 36 2HB CYS 36 10.583 5.709 0.872
242 2HB CYS 36 1HB CYS 36 11.414 6.680 -0.327
243 H ASP 37 HN ASP 37 14.705 6.960 1.861
244 HA ASP 37 HA ASP 37 15.350 9.583 1.299
245 1HB ASP 37 2HB ASP 37 16.786 6.985 1.149
246 2HB ASP 37 1HB ASP 37 17.538 8.372 0.361
No H/Q in entry = 246
Start of MODEL 6
1 1H SER 1 2H SER 1 4.124 0.725 -2.552
2 2H SER 1 1H SER 1 2.989 1.952 -2.853
3 3H SER 1 3H SER 1 3.898 1.973 -1.422
4 HA SER 1 HA SER 1 2.589 0.528 -0.378
5 1HB SER 1 2HB SER 1 1.099 2.111 -2.164
6 2HB SER 1 1HB SER 1 0.392 0.501 -2.238
7 HG SER 1 HG SER 1 0.590 0.702 0.217
8 HA PRO 2 HA PRO 2 1.641 -3.019 -3.460
9 1HB PRO 2 2HB PRO 2 2.296 -2.698 -6.066
10 2HB PRO 2 1HB PRO 2 0.731 -2.217 -5.392
11 1HG PRO 2 2HG PRO 2 3.046 -0.543 -6.162
12 2HG PRO 2 1HG PRO 2 1.317 -0.164 -6.189
13 1HD PRO 2 2HD PRO 2 3.136 0.676 -4.250
14 2HD PRO 2 1HD PRO 2 1.368 0.685 -4.088
15 H THR 3 H THR 3 4.502 -1.126 -4.238
16 HA THR 3 HA THR 3 6.154 -3.556 -3.949
17 HB THR 3 HB THR 3 5.867 -2.647 -6.339
18 HG1 THR 3 HG1 THR 3 7.500 -4.018 -6.189
19 1HG2 THR 3 1HG2 THR 3 6.246 -0.244 -5.475
20 2HG2 THR 3 3HG2 THR 3 7.960 -0.665 -5.503
21 3HG2 THR 3 2HG2 THR 3 7.013 -0.721 -6.992
22 H CYS 4 H CYS 4 8.621 -2.165 -4.215
23 HA CYS 4 HA CYS 4 9.155 -1.395 -1.614
24 1HB CYS 4 2HB CYS 4 11.232 -0.524 -2.435
25 2HB CYS 4 1HB CYS 4 10.844 -1.977 -3.341
26 H ILE 5 H ILE 5 9.380 0.591 -0.579
27 HA ILE 5 HA ILE 5 7.518 2.632 -1.423
28 HB ILE 5 HB ILE 5 9.394 2.405 0.922
29 1HG1 ILE 5 2HG1 ILE 5 6.947 2.390 1.993
30 2HG1 ILE 5 1HG1 ILE 5 6.548 1.724 0.411
31 1HG2 ILE 5 2HG2 ILE 5 8.331 4.761 -0.101
32 2HG2 ILE 5 1HG2 ILE 5 7.244 4.328 1.220
33 3HG2 ILE 5 3HG2 ILE 5 8.973 4.513 1.525
34 1HD1 ILE 5 1HD1 ILE 5 8.697 0.643 2.246
35 2HD1 ILE 5 3HD1 ILE 5 7.077 -0.035 2.080
36 3HD1 ILE 5 2HD1 ILE 5 8.187 -0.053 0.708
37 HA PRO 6 HA PRO 6 10.848 4.627 -3.725
38 1HB PRO 6 2HB PRO 6 9.265 6.495 -4.893
39 2HB PRO 6 1HB PRO 6 9.434 4.838 -5.493
40 1HG PRO 6 2HG PRO 6 7.254 6.040 -3.851
41 2HG PRO 6 1HG PRO 6 7.146 4.880 -5.189
42 1HD PRO 6 2HD PRO 6 6.953 4.139 -2.583
43 2HD PRO 6 1HD PRO 6 7.619 3.077 -3.841
44 H SER 7 H SER 7 11.813 6.705 -3.698
45 HA SER 7 HA SER 7 12.054 7.939 -1.241
46 1HB SER 7 2HB SER 7 13.618 8.193 -3.154
47 2HB SER 7 1HB SER 7 12.453 9.265 -3.922
48 HG SER 7 HG SER 7 14.212 10.230 -2.549
49 H GLY 8 H GLY 8 10.897 9.346 -0.096
50 1HA GLY 8 2HA GLY 8 9.613 11.354 0.132
51 2HA GLY 8 1HA GLY 8 8.901 11.040 -1.450
52 H GLN 9 H GLN 9 8.573 8.154 -0.677
53 HA GLN 9 HA GLN 9 5.975 8.448 0.611
54 1HB GLN 9 2HB GLN 9 7.141 6.671 -1.308
55 2HB GLN 9 1HB GLN 9 6.532 5.734 0.054
56 1HG GLN 9 2HG GLN 9 4.549 5.875 -1.024
57 2HG GLN 9 1HG GLN 9 4.487 7.500 -0.337
58 1HE2 GLN 9 2HE2 GLN 9 4.815 6.955 -4.312
59 2HE2 GLN 9 1HE2 GLN 9 4.633 5.659 -3.184
60 HA PRO 10 HA PRO 10 7.266 6.918 4.531
61 1HB PRO 10 2HB PRO 10 5.029 5.666 5.397
62 2HB PRO 10 1HB PRO 10 5.185 7.427 5.296
63 1HG PRO 10 2HG PRO 10 3.747 5.554 3.504
64 2HG PRO 10 1HG PRO 10 3.357 7.226 3.942
65 1HD PRO 10 2HD PRO 10 4.528 6.433 1.557
66 2HD PRO 10 1HD PRO 10 4.573 8.077 2.224
67 H CYS 11 H CYS 11 8.564 5.289 5.038
68 HA CYS 11 HA CYS 11 7.945 2.572 4.051
69 1HB CYS 11 2HB CYS 11 10.309 2.153 3.940
70 2HB CYS 11 1HB CYS 11 9.959 3.626 3.045
71 HA PRO 12 HA PRO 12 7.861 1.430 8.330
72 1HB PRO 12 2HB PRO 12 7.920 -1.259 8.039
73 2HB PRO 12 1HB PRO 12 6.488 -0.274 7.700
74 1HG PRO 12 2HG PRO 12 8.375 -1.559 5.825
75 2HG PRO 12 1HG PRO 12 6.656 -1.185 5.623
76 1HD PRO 12 2HD PRO 12 8.796 0.272 4.556
77 2HD PRO 12 1HD PRO 12 7.111 0.815 4.669
78 H TYR 13 H TYR 13 10.222 -0.240 6.258
79 HA TYR 13 HA TYR 13 12.235 0.041 8.393
80 1HB TYR 13 2HB TYR 13 12.293 -2.423 6.734
81 2HB TYR 13 1HB TYR 13 12.846 -2.165 8.382
82 HD1 TYR 13 HD1 TYR 13 11.188 -2.104 10.239
83 HD2 TYR 13 HD2 TYR 13 10.115 -3.199 6.257
84 HE1 TYR 13 HE1 TYR 13 9.112 -3.135 11.079
85 HE2 TYR 13 HE2 TYR 13 8.041 -4.229 7.099
86 HH TYR 13 HH TYR 13 7.515 -5.067 10.165
87 H ASN 14 H ASN 14 14.439 -0.082 7.592
88 HA ASN 14 HA ASN 14 14.828 1.397 5.201
89 1HB ASN 14 2HB ASN 14 16.957 -0.206 6.601
90 2HB ASN 14 1HB ASN 14 17.128 1.295 5.703
91 1HD2 ASN 14 2HD2 ASN 14 17.352 2.405 9.080
92 2HD2 ASN 14 1HD2 ASN 14 18.284 1.665 7.837
93 H GLU 15 H GLU 15 14.179 -1.853 5.734
94 HA GLU 15 HA GLU 15 15.674 -2.857 3.435
95 1HB GLU 15 2HB GLU 15 14.846 -3.962 5.851
96 2HB GLU 15 1HB GLU 15 13.787 -4.699 4.651
97 1HG GLU 15 2HG GLU 15 16.296 -4.774 3.457
98 2HG GLU 15 1HG GLU 15 16.622 -5.147 5.150
99 H ASN 16 H ASN 16 12.519 -1.725 4.235
100 HA ASN 16 HA ASN 16 11.320 -2.995 1.882
101 1HB ASN 16 2HB ASN 16 10.265 -2.735 4.294
102 2HB ASN 16 1HB ASN 16 9.789 -1.159 3.660
103 1HD2 ASN 16 2HD2 ASN 16 6.937 -2.838 2.490
104 2HD2 ASN 16 1HD2 ASN 16 7.594 -1.765 3.673
105 H CYS 17 H CYS 17 13.259 -0.543 2.095
106 HA CYS 17 HA CYS 17 11.621 1.456 0.709
107 1HB CYS 17 2HB CYS 17 13.947 1.544 2.380
108 2HB CYS 17 1HB CYS 17 14.322 2.269 0.825
109 H CYS 18 H CYS 18 12.082 2.191 -1.375
110 HA CYS 18 HA CYS 18 12.892 0.267 -3.251
111 1HB CYS 18 2HB CYS 18 12.574 3.257 -3.414
112 2HB CYS 18 1HB CYS 18 12.990 2.271 -4.803
113 H SER 19 H SER 19 14.570 2.924 -1.701
114 HA SER 19 HA SER 19 17.050 2.336 -3.105
115 1HB SER 19 2HB SER 19 17.784 4.414 -2.448
116 2HB SER 19 1HB SER 19 16.048 4.694 -2.504
117 HG SER 19 HG SER 19 15.970 4.475 -0.276
118 H GLN 20 H GLN 20 15.442 1.326 -0.355
119 HA GLN 20 HA GLN 20 16.084 -0.106 1.324
120 1HB GLN 20 2HB GLN 20 18.168 -0.335 -0.539
121 2HB GLN 20 1HB GLN 20 18.937 -0.081 1.024
122 1HG GLN 20 2HG GLN 20 18.570 -2.477 0.569
123 2HG GLN 20 1HG GLN 20 17.661 -1.934 1.979
124 1HE2 GLN 20 2HE2 GLN 20 15.764 -3.325 -1.317
125 2HE2 GLN 20 1HE2 GLN 20 17.482 -3.169 -1.225
126 H SER 21 H SER 21 16.712 3.042 1.054
127 HA SER 21 HA SER 21 18.057 3.227 3.679
128 1HB SER 21 2HB SER 21 18.217 4.880 1.203
129 2HB SER 21 1HB SER 21 18.384 5.685 2.755
130 HG SER 21 HG SER 21 20.337 4.666 1.597
131 H CYS 22 H CYS 22 16.490 3.470 5.177
132 HA CYS 22 HA CYS 22 14.181 5.196 4.578
133 1HB CYS 22 2HB CYS 22 14.699 2.976 6.497
134 2HB CYS 22 1HB CYS 22 13.504 4.188 6.917
135 H THR 23 H THR 23 13.831 7.069 5.653
136 HA THR 23 HA THR 23 15.703 7.799 7.821
137 HB THR 23 HB THR 23 16.486 9.003 5.956
138 HG1 THR 23 HG1 THR 23 16.451 10.632 7.285
139 1HG2 THR 23 1HG2 THR 23 13.589 9.557 5.325
140 2HG2 THR 23 3HG2 THR 23 14.936 10.372 4.528
141 3HG2 THR 23 2HG2 THR 23 14.742 8.624 4.367
142 H PHE 24 H PHE 24 14.816 9.920 8.904
143 HA PHE 24 HA PHE 24 11.929 9.525 9.404
144 1HB PHE 24 2HB PHE 24 14.175 9.576 11.174
145 2HB PHE 24 1HB PHE 24 13.133 10.944 11.534
146 HD1 PHE 24 HD1 PHE 24 10.560 10.354 11.665
147 HD2 PHE 24 HD2 PHE 24 13.740 7.553 12.175
148 HE1 PHE 24 HE1 PHE 24 9.046 8.862 12.912
149 HE2 PHE 24 HE2 PHE 24 12.225 6.061 13.422
150 HZ PHE 24 HZ PHE 24 9.878 6.716 13.789
151 H LYS 25 H LYS 25 10.730 11.139 8.630
152 HA LYS 25 HA LYS 25 11.899 13.850 8.495
153 1HB LYS 25 2HB LYS 25 11.004 12.464 6.395
154 2HB LYS 25 1HB LYS 25 9.473 13.155 6.926
155 1HG LYS 25 2HG LYS 25 10.452 15.405 6.833
156 2HG LYS 25 1HG LYS 25 11.991 14.719 6.321
157 1HD LYS 25 2HD LYS 25 10.239 13.641 4.501
158 2HD LYS 25 1HD LYS 25 9.557 15.243 4.771
159 1HE LYS 25 2HE LYS 25 12.494 15.097 4.379
160 2HE LYS 25 1HE LYS 25 11.493 14.760 2.970
161 1HZ LYS 25 3HZ LYS 25 10.430 17.001 4.221
162 2HZ LYS 25 2HZ LYS 25 12.110 17.240 4.143
163 3HZ LYS 25 1HZ LYS 25 11.226 16.925 2.727
164 H GLU 26 H GLU 26 10.568 15.617 9.084
165 HA GLU 26 HA GLU 26 8.611 14.943 11.128
166 1HB GLU 26 2HB GLU 26 10.587 16.660 11.302
167 2HB GLU 26 1HB GLU 26 9.440 17.741 10.512
168 1HG GLU 26 2HG GLU 26 8.684 18.164 12.595
169 2HG GLU 26 1HG GLU 26 7.902 16.587 12.480
170 H ASN 27 H ASN 27 6.500 15.541 11.089
171 HA ASN 27 HA ASN 27 5.428 16.442 8.511
172 1HB ASN 27 2HB ASN 27 3.391 15.708 10.392
173 2HB ASN 27 1HB ASN 27 3.807 14.948 8.861
174 1HD2 ASN 27 2HD2 ASN 27 4.396 12.876 12.109
175 2HD2 ASN 27 1HD2 ASN 27 3.230 14.120 11.836
176 H GLU 28 H GLU 28 3.129 17.568 9.046
177 HA GLU 28 HA GLU 28 3.845 20.025 10.422
178 1HB GLU 28 2HB GLU 28 2.719 19.826 8.090
179 2HB GLU 28 1HB GLU 28 1.244 19.553 9.014
180 1HG GLU 28 2HG GLU 28 2.959 21.876 9.763
181 2HG GLU 28 1HG GLU 28 1.994 21.996 8.291
182 H ASN 29 H ASN 29 2.080 17.165 10.954
183 HA ASN 29 HA ASN 29 0.076 18.140 12.723
184 1HB ASN 29 2HB ASN 29 0.348 15.825 11.505
185 2HB ASN 29 1HB ASN 29 1.219 15.390 12.975
186 1HD2 ASN 29 2HD2 ASN 29 -1.886 14.491 14.303
187 2HD2 ASN 29 1HD2 ASN 29 -0.332 13.981 13.748
188 H GLY 30 H GLY 30 3.435 17.766 13.021
189 1HA GLY 30 2HA GLY 30 4.664 18.654 14.842
190 2HA GLY 30 1HA GLY 30 3.280 18.334 15.884
191 H ASN 31 H ASN 31 4.134 15.862 13.677
192 HA ASN 31 HA ASN 31 5.473 14.337 15.827
193 1HB ASN 31 2HB ASN 31 3.230 13.638 14.007
194 2HB ASN 31 1HB ASN 31 4.412 12.380 14.354
195 1HD2 ASN 31 2HD2 ASN 31 1.550 12.970 16.957
196 2HD2 ASN 31 1HD2 ASN 31 1.520 13.313 15.265
197 H THR 32 H THR 32 6.389 12.208 14.538
198 HA THR 32 HA THR 32 7.741 13.094 12.094
199 HB THR 32 HB THR 32 9.109 13.519 14.263
200 HG1 THR 32 HG1 THR 32 10.243 13.785 12.468
201 1HG2 THR 32 1HG2 THR 32 8.730 11.267 15.218
202 2HG2 THR 32 3HG2 THR 32 9.631 10.571 13.871
203 3HG2 THR 32 2HG2 THR 32 10.443 11.640 15.015
204 H VAL 33 H VAL 33 7.800 11.541 10.606
205 HA VAL 33 HA VAL 33 7.337 8.751 11.471
206 HB VAL 33 HB VAL 33 6.594 9.627 8.732
207 1HG1 VAL 33 1HG1 VAL 33 6.024 7.448 10.582
208 2HG1 VAL 33 3HG1 VAL 33 4.574 8.090 9.807
209 3HG1 VAL 33 2HG1 VAL 33 5.913 7.499 8.821
210 1HG2 VAL 33 1HG2 VAL 33 5.234 10.538 11.233
211 2HG2 VAL 33 3HG2 VAL 33 5.471 11.391 9.706
212 3HG2 VAL 33 2HG2 VAL 33 4.250 10.123 9.828
213 H LYS 34 H LYS 34 7.925 7.315 9.358
214 HA LYS 34 HA LYS 34 10.672 8.128 8.633
215 1HB LYS 34 2HB LYS 34 9.481 5.552 9.487
216 2HB LYS 34 1HB LYS 34 10.702 5.475 8.219
217 1HG LYS 34 2HG LYS 34 12.345 6.471 9.593
218 2HG LYS 34 1HG LYS 34 11.147 7.032 10.756
219 1HD LYS 34 2HD LYS 34 12.294 5.138 11.707
220 2HD LYS 34 1HD LYS 34 10.650 4.646 11.308
221 1HE LYS 34 2HE LYS 34 12.092 2.891 10.580
222 2HE LYS 34 1HE LYS 34 11.560 3.744 9.134
223 1HZ LYS 34 1HZ LYS 34 13.683 5.053 9.343
224 2HZ LYS 34 3HZ LYS 34 14.185 3.908 10.488
225 3HZ LYS 34 2HZ LYS 34 13.853 3.424 8.894
226 H ARG 35 H ARG 35 10.936 8.618 6.570
227 HA ARG 35 HA ARG 35 9.076 7.508 4.563
228 1HB ARG 35 2HB ARG 35 10.504 10.124 4.820
229 2HB ARG 35 1HB ARG 35 10.097 9.521 3.216
230 1HG ARG 35 2HG ARG 35 7.881 9.890 3.499
231 2HG ARG 35 1HG ARG 35 7.911 9.378 5.185
232 1HD ARG 35 2HD ARG 35 9.350 11.716 5.269
233 2HD ARG 35 1HD ARG 35 8.142 12.067 4.036
234 HE ARG 35 HE ARG 35 6.939 10.859 6.314
235 1HH1 ARG 35 1HH2 ARG 35 8.272 13.824 5.073
236 2HH1 ARG 35 2HH2 ARG 35 7.346 14.839 6.128
237 1HH2 ARG 35 2HH1 ARG 35 5.730 12.186 7.733
238 2HH2 ARG 35 1HH1 ARG 35 5.901 13.907 7.641
239 H CYS 36 H CYS 36 10.458 7.970 2.276
240 HA CYS 36 HA CYS 36 12.781 6.178 2.566
241 1HB CYS 36 2HB CYS 36 10.640 5.702 1.086
242 2HB CYS 36 1HB CYS 36 11.500 6.706 -0.065
243 H ASP 37 HN ASP 37 14.722 6.706 1.697
244 HA ASP 37 HA ASP 37 15.353 9.460 1.374
245 1HB ASP 37 2HB ASP 37 16.823 6.877 1.256
246 2HB ASP 37 1HB ASP 37 17.577 8.279 0.499
No H/Q in entry = 246
Start of MODEL 7
1 1H SER 1 3H SER 1 1.094 -5.480 -4.793
2 2H SER 1 2H SER 1 -0.576 -5.423 -4.483
3 3H SER 1 1H SER 1 0.026 -6.409 -5.728
4 HA SER 1 HA SER 1 0.142 -4.759 -7.189
5 1HB SER 1 2HB SER 1 -1.969 -4.042 -6.933
6 2HB SER 1 1HB SER 1 -1.858 -4.098 -5.178
7 HG SER 1 HG SER 1 -1.423 -2.012 -5.165
8 HA PRO 2 HA PRO 2 2.203 -1.062 -4.936
9 1HB PRO 2 2HB PRO 2 2.540 -1.194 -2.255
10 2HB PRO 2 1HB PRO 2 1.086 -0.535 -3.022
11 1HG PRO 2 2HG PRO 2 1.492 -3.139 -1.681
12 2HG PRO 2 1HG PRO 2 0.029 -2.149 -1.810
13 1HD PRO 2 2HD PRO 2 0.596 -4.425 -3.321
14 2HD PRO 2 1HD PRO 2 -0.639 -3.208 -3.695
15 H THR 3 H THR 3 4.343 -0.970 -5.217
16 HA THR 3 HA THR 3 5.978 -3.302 -4.521
17 HB THR 3 HB THR 3 5.927 -2.162 -6.830
18 HG1 THR 3 HG1 THR 3 7.556 -3.493 -6.817
19 1HG2 THR 3 2HG2 THR 3 6.424 0.110 -5.481
20 2HG2 THR 3 1HG2 THR 3 8.077 -0.378 -5.860
21 3HG2 THR 3 3HG2 THR 3 6.908 -0.143 -7.160
22 H CYS 4 H CYS 4 8.460 -1.847 -4.472
23 HA CYS 4 HA CYS 4 8.730 -1.345 -1.737
24 1HB CYS 4 2HB CYS 4 10.907 -0.366 -2.342
25 2HB CYS 4 1HB CYS 4 10.625 -1.911 -3.126
26 H ILE 5 H ILE 5 9.264 0.666 -0.662
27 HA ILE 5 HA ILE 5 7.422 2.782 -1.364
28 HB ILE 5 HB ILE 5 9.450 2.508 0.849
29 1HG1 ILE 5 2HG1 ILE 5 6.842 2.538 1.861
30 2HG1 ILE 5 1HG1 ILE 5 6.773 1.493 0.444
31 1HG2 ILE 5 1HG2 ILE 5 8.622 4.882 0.037
32 2HG2 ILE 5 3HG2 ILE 5 7.190 4.446 0.972
33 3HG2 ILE 5 2HG2 ILE 5 8.770 4.502 1.754
34 1HD1 ILE 5 3HD1 ILE 5 9.110 1.066 2.192
35 2HD1 ILE 5 2HD1 ILE 5 7.552 0.664 2.915
36 3HD1 ILE 5 1HD1 ILE 5 8.052 -0.110 1.410
37 HA PRO 6 HA PRO 6 10.666 4.728 -3.805
38 1HB PRO 6 2HB PRO 6 9.081 6.629 -4.900
39 2HB PRO 6 1HB PRO 6 9.177 4.966 -5.501
40 1HG PRO 6 2HG PRO 6 7.092 6.244 -3.805
41 2HG PRO 6 1HG PRO 6 6.916 5.034 -5.089
42 1HD PRO 6 2HD PRO 6 6.839 4.439 -2.415
43 2HD PRO 6 1HD PRO 6 7.326 3.284 -3.672
44 H SER 7 H SER 7 11.712 6.733 -3.803
45 HA SER 7 HA SER 7 12.070 7.995 -1.373
46 1HB SER 7 2HB SER 7 13.394 8.116 -3.646
47 2HB SER 7 1HB SER 7 12.436 9.574 -3.880
48 HG SER 7 HG SER 7 13.233 9.952 -1.536
49 H GLY 8 H GLY 8 10.749 9.191 -0.188
50 1HA GLY 8 2HA GLY 8 9.577 11.288 0.097
51 2HA GLY 8 1HA GLY 8 8.938 11.098 -1.534
52 H GLN 9 H GLN 9 8.865 8.107 -0.143
53 HA GLN 9 HA GLN 9 6.069 8.465 0.751
54 1HB GLN 9 2HB GLN 9 7.415 6.423 -0.922
55 2HB GLN 9 1HB GLN 9 6.199 5.837 0.210
56 1HG GLN 9 2HG GLN 9 4.722 7.746 -0.754
57 2HG GLN 9 1HG GLN 9 5.873 7.742 -2.090
58 1HE2 GLN 9 2HE2 GLN 9 3.638 4.357 -1.418
59 2HE2 GLN 9 1HE2 GLN 9 4.122 5.366 -0.102
60 HA PRO 10 HA PRO 10 7.201 6.812 4.671
61 1HB PRO 10 2HB PRO 10 4.953 5.502 5.416
62 2HB PRO 10 1HB PRO 10 5.083 7.267 5.368
63 1HG PRO 10 2HG PRO 10 3.738 5.421 3.481
64 2HG PRO 10 1HG PRO 10 3.317 7.081 3.936
65 1HD PRO 10 2HD PRO 10 4.594 6.334 1.584
66 2HD PRO 10 1HD PRO 10 4.574 7.970 2.270
67 H CYS 11 H CYS 11 8.454 5.165 5.266
68 HA CYS 11 HA CYS 11 7.873 2.456 4.239
69 1HB CYS 11 2HB CYS 11 10.240 2.057 4.012
70 2HB CYS 11 1HB CYS 11 9.811 3.496 3.095
71 HA PRO 12 HA PRO 12 8.052 1.349 8.524
72 1HB PRO 12 2HB PRO 12 8.195 -1.341 8.256
73 2HB PRO 12 1HB PRO 12 6.712 -0.413 7.981
74 1HG PRO 12 2HG PRO 12 8.559 -1.637 6.022
75 2HG PRO 12 1HG PRO 12 6.815 -1.356 5.909
76 1HD PRO 12 2HD PRO 12 8.798 0.192 4.701
77 2HD PRO 12 1HD PRO 12 7.105 0.669 4.937
78 H TYR 13 H TYR 13 10.295 -0.444 6.411
79 HA TYR 13 HA TYR 13 12.431 -0.016 8.409
80 1HB TYR 13 2HB TYR 13 12.498 -2.458 6.719
81 2HB TYR 13 1HB TYR 13 13.118 -2.198 8.342
82 HD1 TYR 13 HD2 TYR 13 11.576 -2.272 10.280
83 HD2 TYR 13 HD1 TYR 13 10.306 -3.268 6.331
84 HE1 TYR 13 HE2 TYR 13 9.585 -3.398 11.201
85 HE2 TYR 13 HE1 TYR 13 8.318 -4.392 7.253
86 HH TYR 13 HH TYR 13 7.507 -4.207 10.648
87 H ASN 14 H ASN 14 14.611 -0.152 7.460
88 HA ASN 14 HA ASN 14 14.804 1.383 5.063
89 1HB ASN 14 2HB ASN 14 17.073 -0.100 6.363
90 2HB ASN 14 1HB ASN 14 17.119 1.414 5.470
91 1HD2 ASN 14 2HD2 ASN 14 17.422 2.487 8.863
92 2HD2 ASN 14 1HD2 ASN 14 18.345 1.784 7.593
93 H GLU 15 H GLU 15 14.187 -1.841 5.539
94 HA GLU 15 HA GLU 15 15.680 -2.783 3.200
95 1HB GLU 15 2HB GLU 15 15.096 -3.954 5.620
96 2HB GLU 15 1HB GLU 15 13.895 -4.671 4.549
97 1HG GLU 15 2HG GLU 15 15.635 -5.423 3.031
98 2HG GLU 15 1HG GLU 15 16.867 -4.594 3.983
99 H ASN 16 H ASN 16 12.632 -1.549 4.003
100 HA ASN 16 HA ASN 16 11.310 -2.926 1.759
101 1HB ASN 16 2HB ASN 16 10.352 -2.630 4.211
102 2HB ASN 16 1HB ASN 16 9.845 -1.068 3.568
103 1HD2 ASN 16 2HD2 ASN 16 6.957 -2.758 2.520
104 2HD2 ASN 16 1HD2 ASN 16 7.655 -1.647 3.644
105 H CYS 17 H CYS 17 13.259 -0.491 1.869
106 HA CYS 17 HA CYS 17 11.581 1.489 0.495
107 1HB CYS 17 2HB CYS 17 13.917 1.616 2.159
108 2HB CYS 17 1HB CYS 17 14.250 2.369 0.607
109 H CYS 18 H CYS 18 11.991 2.173 -1.600
110 HA CYS 18 HA CYS 18 12.867 0.263 -3.453
111 1HB CYS 18 2HB CYS 18 12.495 3.247 -3.666
112 2HB CYS 18 1HB CYS 18 12.889 2.227 -5.038
113 H SER 19 H SER 19 14.465 3.022 -1.980
114 HA SER 19 HA SER 19 16.956 2.492 -3.375
115 1HB SER 19 2HB SER 19 17.640 4.582 -2.696
116 2HB SER 19 1HB SER 19 15.895 4.815 -2.740
117 HG SER 19 HG SER 19 16.240 5.422 -0.718
118 H GLN 20 H GLN 20 15.390 1.452 -0.601
119 HA GLN 20 HA GLN 20 16.080 0.001 1.049
120 1HB GLN 20 2HB GLN 20 18.161 -0.155 -0.819
121 2HB GLN 20 1HB GLN 20 18.931 0.131 0.739
122 1HG GLN 20 2HG GLN 20 18.597 -2.293 0.193
123 2HG GLN 20 1HG GLN 20 17.848 -1.786 1.707
124 1HE2 GLN 20 2HE2 GLN 20 15.597 -3.098 -1.405
125 2HE2 GLN 20 1HE2 GLN 20 17.308 -2.888 -1.525
126 H SER 21 H SER 21 16.592 3.167 0.806
127 HA SER 21 HA SER 21 17.963 3.381 3.414
128 1HB SER 21 2HB SER 21 18.010 5.058 0.956
129 2HB SER 21 1HB SER 21 18.134 5.871 2.510
130 HG SER 21 HG SER 21 20.053 4.629 1.192
131 H CYS 22 H CYS 22 16.541 3.678 5.002
132 HA CYS 22 HA CYS 22 14.119 5.283 4.484
133 1HB CYS 22 2HB CYS 22 14.724 2.990 6.295
134 2HB CYS 22 1HB CYS 22 13.504 4.153 6.781
135 H THR 23 H THR 23 13.657 7.022 5.787
136 HA THR 23 HA THR 23 15.597 7.706 7.903
137 HB THR 23 HB THR 23 16.394 9.082 6.236
138 HG1 THR 23 HG1 THR 23 16.037 10.765 7.432
139 1HG2 THR 23 3HG2 THR 23 14.700 8.396 4.563
140 2HG2 THR 23 2HG2 THR 23 13.577 9.564 5.261
141 3HG2 THR 23 1HG2 THR 23 15.068 10.120 4.498
142 H PHE 24 H PHE 24 14.696 9.789 9.068
143 HA PHE 24 HA PHE 24 11.802 9.396 9.535
144 1HB PHE 24 2HB PHE 24 13.982 9.113 11.337
145 2HB PHE 24 1HB PHE 24 13.076 10.543 11.811
146 HD1 PHE 24 HD2 PHE 24 10.396 10.118 11.646
147 HD2 PHE 24 HD1 PHE 24 13.386 7.156 12.362
148 HE1 PHE 24 HE2 PHE 24 8.713 8.680 12.730
149 HE2 PHE 24 HE1 PHE 24 11.704 5.721 13.450
150 HZ PHE 24 HZ PHE 24 9.367 6.483 13.634
151 H LYS 25 H LYS 25 10.771 11.111 8.726
152 HA LYS 25 HA LYS 25 12.012 13.780 9.005
153 1HB LYS 25 2HB LYS 25 11.604 13.007 6.680
154 2HB LYS 25 1HB LYS 25 9.886 12.892 7.051
155 1HG LYS 25 2HG LYS 25 9.837 15.296 7.562
156 2HG LYS 25 1HG LYS 25 11.556 15.411 7.196
157 1HD LYS 25 2HD LYS 25 10.132 14.144 5.023
158 2HD LYS 25 1HD LYS 25 9.415 15.707 5.407
159 1HE LYS 25 2HE LYS 25 12.381 15.574 5.256
160 2HE LYS 25 1HE LYS 25 11.494 15.446 3.740
161 1HZ LYS 25 3HZ LYS 25 10.590 17.552 5.497
162 2HZ LYS 25 2HZ LYS 25 12.174 17.752 4.917
163 3HZ LYS 25 1HZ LYS 25 10.883 17.579 3.827
164 H GLU 26 H GLU 26 10.562 15.559 9.495
165 HA GLU 26 HA GLU 26 8.448 14.726 11.326
166 1HB GLU 26 2HB GLU 26 10.421 16.400 11.817
167 2HB GLU 26 1HB GLU 26 9.330 17.557 11.059
168 1HG GLU 26 2HG GLU 26 7.676 17.254 12.704
169 2HG GLU 26 1HG GLU 26 8.382 15.735 13.258
170 H ASN 27 H ASN 27 6.352 15.340 11.127
171 HA ASN 27 HA ASN 27 5.524 16.398 8.530
172 1HB ASN 27 2HB ASN 27 3.350 15.746 10.322
173 2HB ASN 27 1HB ASN 27 3.741 15.064 8.749
174 1HD2 ASN 27 2HD2 ASN 27 4.077 12.705 11.810
175 2HD2 ASN 27 1HD2 ASN 27 2.986 14.023 11.574
176 H GLU 28 H GLU 28 3.190 17.583 9.013
177 HA GLU 28 HA GLU 28 3.966 20.035 10.364
178 1HB GLU 28 2HB GLU 28 2.910 19.920 8.037
179 2HB GLU 28 1HB GLU 28 1.403 19.550 8.871
180 1HG GLU 28 2HG GLU 28 1.462 21.921 8.482
181 2HG GLU 28 1HG GLU 28 1.721 21.656 10.207
182 H ASN 29 H ASN 29 2.108 17.234 10.913
183 HA ASN 29 HA ASN 29 0.127 18.304 12.659
184 1HB ASN 29 2HB ASN 29 0.281 15.982 11.448
185 2HB ASN 29 1HB ASN 29 1.148 15.502 12.907
186 1HD2 ASN 29 2HD2 ASN 29 -2.024 14.708 14.175
187 2HD2 ASN 29 1HD2 ASN 29 -0.531 14.114 13.540
188 H GLY 30 H GLY 30 3.463 17.788 12.979
189 1HA GLY 30 2HA GLY 30 4.715 18.623 14.808
190 2HA GLY 30 1HA GLY 30 3.313 18.363 15.841
191 H ASN 31 H ASN 31 3.985 15.828 13.671
192 HA ASN 31 HA ASN 31 5.241 14.248 15.836
193 1HB ASN 31 2HB ASN 31 3.041 13.657 13.929
194 2HB ASN 31 1HB ASN 31 4.163 12.347 14.289
195 1HD2 ASN 31 2HD2 ASN 31 1.696 11.876 16.853
196 2HD2 ASN 31 1HD2 ASN 31 2.016 11.535 15.189
197 H THR 32 H THR 32 6.111 12.084 14.543
198 HA THR 32 HA THR 32 7.613 12.961 12.184
199 HB THR 32 HB THR 32 8.871 13.236 14.475
200 HG1 THR 32 HG1 THR 32 10.133 13.641 12.820
201 1HG2 THR 32 2HG2 THR 32 8.450 10.909 15.217
202 2HG2 THR 32 1HG2 THR 32 9.400 10.327 13.847
203 3HG2 THR 32 3HG2 THR 32 10.171 11.289 15.109
204 H VAL 33 H VAL 33 7.809 11.417 10.681
205 HA VAL 33 HA VAL 33 7.228 8.625 11.440
206 HB VAL 33 HB VAL 33 6.445 9.600 8.747
207 1HG1 VAL 33 3HG1 VAL 33 5.918 7.352 10.510
208 2HG1 VAL 33 2HG1 VAL 33 4.438 8.036 9.833
209 3HG1 VAL 33 1HG1 VAL 33 5.727 7.486 8.761
210 1HG2 VAL 33 2HG2 VAL 33 5.184 10.485 11.293
211 2HG2 VAL 33 1HG2 VAL 33 5.303 11.318 9.742
212 3HG2 VAL 33 3HG2 VAL 33 4.115 10.032 9.964
213 H LYS 34 H LYS 34 7.811 7.223 9.346
214 HA LYS 34 HA LYS 34 10.552 8.040 8.610
215 1HB LYS 34 2HB LYS 34 9.312 5.456 9.336
216 2HB LYS 34 1HB LYS 34 10.500 5.408 8.036
217 1HG LYS 34 2HG LYS 34 12.193 6.340 9.427
218 2HG LYS 34 1HG LYS 34 11.026 6.771 10.673
219 1HD LYS 34 2HD LYS 34 11.733 4.847 11.641
220 2HD LYS 34 1HD LYS 34 10.599 4.101 10.519
221 1HE LYS 34 2HE LYS 34 12.495 3.891 8.882
222 2HE LYS 34 1HE LYS 34 13.579 4.437 10.158
223 1HZ LYS 34 2HZ LYS 34 12.787 2.551 11.510
224 2HZ LYS 34 1HZ LYS 34 11.894 1.997 10.175
225 3HZ LYS 34 3HZ LYS 34 13.586 2.067 10.091
226 H ARG 35 H ARG 35 10.997 8.413 6.540
227 HA ARG 35 HA ARG 35 9.062 7.529 4.489
228 1HB ARG 35 2HB ARG 35 10.786 10.013 4.522
229 2HB ARG 35 1HB ARG 35 9.715 9.530 3.210
230 1HG ARG 35 2HG ARG 35 7.783 9.898 4.499
231 2HG ARG 35 1HG ARG 35 8.686 9.892 6.011
232 1HD ARG 35 2HD ARG 35 9.823 11.997 5.251
233 2HD ARG 35 1HD ARG 35 8.726 12.025 3.872
234 HE ARG 35 HE ARG 35 8.092 12.733 6.572
235 1HH1 ARG 35 1HH2 ARG 35 6.841 11.364 3.633
236 2HH1 ARG 35 2HH2 ARG 35 5.216 11.889 3.921
237 1HH2 ARG 35 1HH1 ARG 35 4.712 13.084 5.809
238 2HH2 ARG 35 2HH1 ARG 35 5.955 13.468 6.952
239 H CYS 36 H CYS 36 10.481 8.061 2.238
240 HA CYS 36 HA CYS 36 12.760 6.198 2.466
241 1HB CYS 36 2HB CYS 36 10.602 5.806 0.988
242 2HB CYS 36 1HB CYS 36 11.473 6.823 -0.141
243 H ASP 37 HN ASP 37 14.657 7.163 2.415
244 HA ASP 37 HA ASP 37 15.379 9.707 1.947
245 1HB ASP 37 2HB ASP 37 16.758 7.110 1.527
246 2HB ASP 37 1HB ASP 37 17.531 8.552 0.873
No H/Q in entry = 246
Start of MODEL 8
1 1H SER 1 2H SER 1 7.705 -2.963 -10.907
2 2H SER 1 1H SER 1 9.153 -3.608 -10.296
3 3H SER 1 3H SER 1 8.033 -4.623 -11.064
4 HA SER 1 HA SER 1 6.477 -4.414 -9.329
5 1HB SER 1 2HB SER 1 7.756 -5.232 -7.386
6 2HB SER 1 1HB SER 1 8.245 -6.023 -8.880
7 HG SER 1 HG SER 1 9.731 -4.564 -7.168
8 HA PRO 2 HA PRO 2 6.985 -0.149 -7.775
9 1HB PRO 2 2HB PRO 2 4.429 0.620 -8.201
10 2HB PRO 2 1HB PRO 2 5.681 0.678 -9.450
11 1HG PRO 2 2HG PRO 2 3.419 -1.183 -9.147
12 2HG PRO 2 1HG PRO 2 4.302 -0.704 -10.604
13 1HD PRO 2 2HD PRO 2 4.606 -3.106 -9.140
14 2HD PRO 2 1HD PRO 2 5.621 -2.530 -10.477
15 H THR 3 H THR 3 6.940 -2.116 -5.944
16 HA THR 3 HA THR 3 4.585 -1.633 -4.241
17 HB THR 3 HB THR 3 5.415 -3.997 -4.955
18 HG1 THR 3 HG1 THR 3 3.891 -4.203 -3.514
19 1HG2 THR 3 2HG2 THR 3 7.754 -3.687 -4.304
20 2HG2 THR 3 1HG2 THR 3 7.258 -3.419 -2.632
21 3HG2 THR 3 3HG2 THR 3 7.007 -4.995 -3.383
22 H CYS 4 H CYS 4 8.115 -1.857 -4.154
23 HA CYS 4 HA CYS 4 8.615 -1.143 -1.537
24 1HB CYS 4 2HB CYS 4 10.779 -0.383 -2.297
25 2HB CYS 4 1HB CYS 4 10.329 -1.845 -3.157
26 H ILE 5 H ILE 5 9.120 0.844 -0.522
27 HA ILE 5 HA ILE 5 7.386 3.021 -1.306
28 HB ILE 5 HB ILE 5 9.367 2.729 0.947
29 1HG1 ILE 5 2HG1 ILE 5 6.844 2.813 2.027
30 2HG1 ILE 5 1HG1 ILE 5 6.586 1.898 0.543
31 1HG2 ILE 5 3HG2 ILE 5 8.384 5.090 -0.024
32 2HG2 ILE 5 2HG2 ILE 5 7.205 4.687 1.227
33 3HG2 ILE 5 1HG2 ILE 5 8.917 4.818 1.637
34 1HD1 ILE 5 1HD1 ILE 5 8.901 1.206 2.316
35 2HD1 ILE 5 3HD1 ILE 5 7.281 0.651 2.743
36 3HD1 ILE 5 2HD1 ILE 5 7.999 0.175 1.202
37 HA PRO 6 HA PRO 6 10.748 4.769 -3.744
38 1HB PRO 6 2HB PRO 6 9.283 6.759 -4.846
39 2HB PRO 6 1HB PRO 6 9.281 5.093 -5.445
40 1HG PRO 6 2HG PRO 6 7.279 6.485 -3.733
41 2HG PRO 6 1HG PRO 6 7.024 5.313 -5.040
42 1HD PRO 6 2HD PRO 6 6.893 4.653 -2.397
43 2HD PRO 6 1HD PRO 6 7.369 3.507 -3.669
44 H SER 7 H SER 7 11.912 6.712 -3.744
45 HA SER 7 HA SER 7 12.321 7.956 -1.308
46 1HB SER 7 2HB SER 7 13.981 8.073 -3.044
47 2HB SER 7 1HB SER 7 12.885 8.957 -4.100
48 HG SER 7 HG SER 7 14.576 10.116 -2.672
49 H GLY 8 H GLY 8 11.025 9.208 -0.152
50 1HA GLY 8 2HA GLY 8 9.985 11.374 0.122
51 2HA GLY 8 1HA GLY 8 9.387 11.242 -1.531
52 H GLN 9 H GLN 9 9.134 8.269 -0.034
53 HA GLN 9 HA GLN 9 6.319 8.779 0.720
54 1HB GLN 9 2HB GLN 9 7.542 6.784 -1.030
55 2HB GLN 9 1HB GLN 9 6.483 6.082 0.190
56 1HG GLN 9 2HG GLN 9 4.814 7.940 -0.533
57 2HG GLN 9 1HG GLN 9 5.820 8.050 -1.979
58 1HE2 GLN 9 2HE2 GLN 9 4.041 4.420 -1.241
59 2HE2 GLN 9 1HE2 GLN 9 4.726 5.344 0.048
60 HA PRO 10 HA PRO 10 7.225 7.113 4.686
61 1HB PRO 10 2HB PRO 10 4.893 5.914 5.360
62 2HB PRO 10 1HB PRO 10 5.111 7.671 5.308
63 1HG PRO 10 2HG PRO 10 3.761 5.878 3.369
64 2HG PRO 10 1HG PRO 10 3.379 7.547 3.821
65 1HD PRO 10 2HD PRO 10 4.697 6.797 1.507
66 2HD PRO 10 1HD PRO 10 4.757 8.414 2.235
67 H CYS 11 H CYS 11 8.605 5.493 4.984
68 HA CYS 11 HA CYS 11 7.887 2.776 4.073
69 1HB CYS 11 2HB CYS 11 10.218 2.305 3.883
70 2HB CYS 11 1HB CYS 11 9.927 3.833 3.063
71 HA PRO 12 HA PRO 12 7.841 1.643 8.359
72 1HB PRO 12 2HB PRO 12 7.915 -1.048 8.083
73 2HB PRO 12 1HB PRO 12 6.473 -0.076 7.747
74 1HG PRO 12 2HG PRO 12 8.367 -1.349 5.866
75 2HG PRO 12 1HG PRO 12 6.640 -1.010 5.676
76 1HD PRO 12 2HD PRO 12 8.727 0.478 4.569
77 2HD PRO 12 1HD PRO 12 7.040 1.004 4.723
78 H TYR 13 H TYR 13 10.043 -0.390 6.422
79 HA TYR 13 HA TYR 13 12.145 0.053 8.455
80 1HB TYR 13 2HB TYR 13 12.161 -2.439 6.838
81 2HB TYR 13 1HB TYR 13 12.739 -2.158 8.474
82 HD1 TYR 13 HD1 TYR 13 11.226 -2.293 10.371
83 HD2 TYR 13 HD2 TYR 13 9.854 -2.980 6.388
84 HE1 TYR 13 HE1 TYR 13 9.158 -3.302 11.254
85 HE2 TYR 13 HE2 TYR 13 7.787 -3.988 7.275
86 HH TYR 13 HH TYR 13 7.421 -4.951 10.446
87 H ASN 14 H ASN 14 14.351 -0.225 7.575
88 HA ASN 14 HA ASN 14 14.689 1.257 5.163
89 1HB ASN 14 2HB ASN 14 16.840 -0.348 6.523
90 2HB ASN 14 1HB ASN 14 16.994 1.150 5.617
91 1HD2 ASN 14 2HD2 ASN 14 17.310 2.251 8.995
92 2HD2 ASN 14 1HD2 ASN 14 18.207 1.492 7.739
93 H GLU 15 H GLU 15 13.905 -1.934 5.691
94 HA GLU 15 HA GLU 15 15.367 -2.993 3.384
95 1HB GLU 15 2HB GLU 15 14.815 -4.108 5.782
96 2HB GLU 15 1HB GLU 15 13.432 -4.681 4.853
97 1HG GLU 15 2HG GLU 15 15.332 -6.266 4.778
98 2HG GLU 15 1HG GLU 15 14.921 -5.645 3.177
99 H ASN 16 H ASN 16 12.396 -1.550 4.094
100 HA ASN 16 HA ASN 16 11.040 -2.902 1.853
101 1HB ASN 16 2HB ASN 16 10.053 -2.558 4.285
102 2HB ASN 16 1HB ASN 16 9.624 -0.977 3.630
103 1HD2 ASN 16 2HD2 ASN 16 6.692 -2.499 2.478
104 2HD2 ASN 16 1HD2 ASN 16 7.419 -1.381 3.576
105 H CYS 17 H CYS 17 13.058 -0.480 2.076
106 HA CYS 17 HA CYS 17 11.494 1.543 0.651
107 1HB CYS 17 2HB CYS 17 13.835 1.558 2.307
108 2HB CYS 17 1HB CYS 17 14.215 2.271 0.749
109 H CYS 18 H CYS 18 11.923 2.194 -1.450
110 HA CYS 18 HA CYS 18 12.680 0.235 -3.300
111 1HB CYS 18 2HB CYS 18 12.513 3.236 -3.533
112 2HB CYS 18 1HB CYS 18 12.787 2.170 -4.898
113 H SER 19 H SER 19 14.447 2.903 -1.854
114 HA SER 19 HA SER 19 16.897 2.217 -3.255
115 1HB SER 19 2HB SER 19 17.716 4.262 -2.567
116 2HB SER 19 1HB SER 19 15.993 4.603 -2.650
117 HG SER 19 HG SER 19 16.117 5.045 -0.586
118 H GLN 20 H GLN 20 15.283 1.312 -0.454
119 HA GLN 20 HA GLN 20 15.883 -0.183 1.188
120 1HB GLN 20 2HB GLN 20 17.958 -0.465 -0.675
121 2HB GLN 20 1HB GLN 20 18.736 -0.240 0.888
122 1HG GLN 20 2HG GLN 20 18.229 -2.636 0.310
123 2HG GLN 20 1HG GLN 20 17.544 -2.089 1.840
124 1HE2 GLN 20 2HE2 GLN 20 15.153 -3.202 -1.246
125 2HE2 GLN 20 1HE2 GLN 20 16.873 -3.114 -1.393
126 H SER 21 H SER 21 16.632 2.946 0.929
127 HA SER 21 HA SER 21 17.984 3.074 3.549
128 1HB SER 21 2HB SER 21 18.079 4.819 1.121
129 2HB SER 21 1HB SER 21 18.370 5.521 2.704
130 HG SER 21 HG SER 21 19.780 3.381 1.461
131 H CYS 22 H CYS 22 16.538 3.427 5.124
132 HA CYS 22 HA CYS 22 14.214 5.157 4.566
133 1HB CYS 22 2HB CYS 22 14.689 2.859 6.400
134 2HB CYS 22 1HB CYS 22 13.542 4.093 6.890
135 H THR 23 H THR 23 13.843 6.956 5.792
136 HA THR 23 HA THR 23 15.772 7.598 7.933
137 HB THR 23 HB THR 23 16.588 8.796 6.068
138 HG1 THR 23 HG1 THR 23 16.675 10.430 7.375
139 1HG2 THR 23 1HG2 THR 23 13.712 9.510 5.513
140 2HG2 THR 23 3HG2 THR 23 15.080 10.287 4.716
141 3HG2 THR 23 2HG2 THR 23 14.803 8.557 4.504
142 H PHE 24 H PHE 24 14.934 9.770 9.020
143 HA PHE 24 HA PHE 24 12.036 9.438 9.507
144 1HB PHE 24 2HB PHE 24 14.281 9.419 11.303
145 2HB PHE 24 1HB PHE 24 13.211 10.756 11.695
146 HD1 PHE 24 HD1 PHE 24 10.667 10.155 11.831
147 HD2 PHE 24 HD2 PHE 24 13.843 7.320 12.148
148 HE1 PHE 24 HE1 PHE 24 9.158 8.594 12.996
149 HE2 PHE 24 HE2 PHE 24 12.333 5.759 13.314
150 HZ PHE 24 HZ PHE 24 9.990 6.396 13.737
151 H LYS 25 H LYS 25 10.855 11.128 8.891
152 HA LYS 25 HA LYS 25 12.098 13.809 8.863
153 1HB LYS 25 2HB LYS 25 11.757 13.203 6.595
154 2HB LYS 25 1HB LYS 25 10.161 12.539 6.936
155 1HG LYS 25 2HG LYS 25 9.306 14.763 7.427
156 2HG LYS 25 1HG LYS 25 10.910 15.456 7.208
157 1HD LYS 25 2HD LYS 25 10.228 13.921 4.886
158 2HD LYS 25 1HD LYS 25 8.909 15.034 5.247
159 1HE LYS 25 2HE LYS 25 11.670 16.120 5.387
160 2HE LYS 25 1HE LYS 25 11.042 15.743 3.787
161 1HZ LYS 25 3HZ LYS 25 9.344 17.260 5.624
162 2HZ LYS 25 2HZ LYS 25 10.647 18.063 4.888
163 3HZ LYS 25 1HZ LYS 25 9.445 17.335 3.933
164 H GLU 26 H GLU 26 10.709 15.572 9.383
165 HA GLU 26 HA GLU 26 8.639 14.848 11.291
166 1HB GLU 26 2HB GLU 26 10.534 16.567 11.668
167 2HB GLU 26 1HB GLU 26 9.532 17.646 10.700
168 1HG GLU 26 2HG GLU 26 8.525 18.159 12.650
169 2HG GLU 26 1HG GLU 26 7.714 16.602 12.478
170 H ASN 27 H ASN 27 6.515 15.368 11.111
171 HA ASN 27 HA ASN 27 5.585 16.244 8.474
172 1HB ASN 27 2HB ASN 27 3.480 15.504 10.307
173 2HB ASN 27 1HB ASN 27 3.914 14.789 8.760
174 1HD2 ASN 27 2HD2 ASN 27 4.463 12.616 11.943
175 2HD2 ASN 27 1HD2 ASN 27 3.293 13.861 11.687
176 H GLU 28 H GLU 28 3.174 17.278 8.968
177 HA GLU 28 HA GLU 28 3.804 19.823 10.219
178 1HB GLU 28 2HB GLU 28 2.781 19.812 7.987
179 2HB GLU 28 1HB GLU 28 1.383 18.958 8.636
180 1HG GLU 28 2HG GLU 28 0.677 20.818 9.885
181 2HG GLU 28 1HG GLU 28 2.258 21.595 9.791
182 H ASN 29 H ASN 29 2.132 16.926 10.881
183 HA ASN 29 HA ASN 29 0.157 17.925 12.679
184 1HB ASN 29 2HB ASN 29 0.380 15.598 11.491
185 2HB ASN 29 1HB ASN 29 1.318 15.178 12.925
186 1HD2 ASN 29 2HD2 ASN 29 -1.748 14.266 14.349
187 2HD2 ASN 29 1HD2 ASN 29 -0.236 13.742 13.696
188 H GLY 30 H GLY 30 3.516 17.651 12.886
189 1HA GLY 30 2HA GLY 30 4.803 18.520 14.655
190 2HA GLY 30 1HA GLY 30 3.441 18.251 15.738
191 H ASN 31 H ASN 31 4.091 15.667 13.636
192 HA ASN 31 HA ASN 31 5.410 14.167 15.813
193 1HB ASN 31 2HB ASN 31 3.315 13.461 13.814
194 2HB ASN 31 1HB ASN 31 4.447 12.205 14.312
195 1HD2 ASN 31 2HD2 ASN 31 2.758 11.582 17.264
196 2HD2 ASN 31 1HD2 ASN 31 3.789 11.046 15.985
197 H THR 32 H THR 32 6.425 12.052 14.606
198 HA THR 32 HA THR 32 7.926 12.932 12.247
199 HB THR 32 HB THR 32 9.125 13.316 14.561
200 HG1 THR 32 HG1 THR 32 10.090 13.632 12.532
201 1HG2 THR 32 3HG2 THR 32 8.760 10.932 15.274
202 2HG2 THR 32 2HG2 THR 32 9.885 10.448 14.002
203 3HG2 THR 32 1HG2 THR 32 10.440 11.470 15.330
204 H VAL 33 H VAL 33 7.862 11.408 10.755
205 HA VAL 33 HA VAL 33 7.504 8.597 11.605
206 HB VAL 33 HB VAL 33 6.667 9.491 8.898
207 1HG1 VAL 33 1HG1 VAL 33 6.233 7.255 10.706
208 2HG1 VAL 33 3HG1 VAL 33 4.727 7.872 10.024
209 3HG1 VAL 33 2HG1 VAL 33 6.032 7.350 8.955
210 1HG2 VAL 33 1HG2 VAL 33 5.374 10.341 11.449
211 2HG2 VAL 33 3HG2 VAL 33 5.498 11.193 9.908
212 3HG2 VAL 33 2HG2 VAL 33 4.337 9.877 10.098
213 H LYS 34 H LYS 34 8.039 7.235 9.396
214 HA LYS 34 HA LYS 34 10.778 8.076 8.677
215 1HB LYS 34 2HB LYS 34 9.589 5.468 9.420
216 2HB LYS 34 1HB LYS 34 10.781 5.444 8.124
217 1HG LYS 34 2HG LYS 34 12.449 6.417 9.517
218 2HG LYS 34 1HG LYS 34 11.267 6.825 10.757
219 1HD LYS 34 2HD LYS 34 12.390 4.912 11.579
220 2HD LYS 34 1HD LYS 34 10.847 4.317 10.972
221 1HE LYS 34 2HE LYS 34 11.832 3.385 9.050
222 2HE LYS 34 1HE LYS 34 13.306 4.332 9.239
223 1HZ LYS 34 3HZ LYS 34 12.938 2.784 11.542
224 2HZ LYS 34 2HZ LYS 34 12.763 1.767 10.194
225 3HZ LYS 34 1HZ LYS 34 14.179 2.682 10.392
226 H ARG 35 H ARG 35 11.137 8.521 6.606
227 HA ARG 35 HA ARG 35 9.208 7.566 4.583
228 1HB ARG 35 2HB ARG 35 10.595 10.164 4.986
229 2HB ARG 35 1HB ARG 35 10.361 9.623 3.326
230 1HG ARG 35 2HG ARG 35 8.195 10.180 3.392
231 2HG ARG 35 1HG ARG 35 7.948 9.220 4.848
232 1HD ARG 35 2HD ARG 35 8.548 11.053 6.260
233 2HD ARG 35 1HD ARG 35 9.140 11.994 4.891
234 HE ARG 35 HE ARG 35 6.438 11.396 4.428
235 1HH1 ARG 35 1HH2 ARG 35 8.424 13.184 6.661
236 2HH1 ARG 35 2HH2 ARG 35 7.217 14.385 6.980
237 1HH2 ARG 35 2HH1 ARG 35 4.841 12.984 4.831
238 2HH2 ARG 35 1HH1 ARG 35 5.180 14.270 5.940
239 H CYS 36 H CYS 36 10.626 8.108 2.304
240 HA CYS 36 HA CYS 36 12.894 6.236 2.541
241 1HB CYS 36 2HB CYS 36 10.725 5.850 1.068
242 2HB CYS 36 1HB CYS 36 11.617 6.834 -0.075
243 H ASP 37 HN ASP 37 14.859 6.877 2.007
244 HA ASP 37 HA ASP 37 15.569 9.545 1.620
245 1HB ASP 37 2HB ASP 37 16.946 6.919 1.393
246 2HB ASP 37 1HB ASP 37 17.738 8.315 0.663
No H/Q in entry = 246
Start of MODEL 9
1 1H SER 1 3H SER 1 2.779 -1.071 -11.266
2 2H SER 1 2H SER 1 3.744 -2.374 -11.775
3 3H SER 1 1H SER 1 2.061 -2.417 -12.007
4 HA SER 1 HA SER 1 1.700 -2.457 -9.630
5 1HB SER 1 2HB SER 1 3.257 -4.542 -11.040
6 2HB SER 1 1HB SER 1 3.172 -4.685 -9.288
7 HG SER 1 HG SER 1 0.784 -4.299 -9.706
8 HA PRO 2 HA PRO 2 5.402 -0.588 -7.768
9 1HB PRO 2 2HB PRO 2 4.059 0.877 -5.931
10 2HB PRO 2 1HB PRO 2 4.309 1.406 -7.602
11 1HG PRO 2 2HG PRO 2 1.874 0.334 -6.310
12 2HG PRO 2 1HG PRO 2 2.032 1.491 -7.641
13 1HD PRO 2 2HD PRO 2 1.390 -1.211 -7.899
14 2HD PRO 2 1HD PRO 2 1.942 -0.144 -9.205
15 H THR 3 H THR 3 6.526 -1.289 -6.021
16 HA THR 3 HA THR 3 5.081 -2.834 -3.958
17 HB THR 3 HB THR 3 6.116 -4.575 -5.006
18 HG1 THR 3 HG1 THR 3 7.230 -5.019 -3.286
19 1HG2 THR 3 1HG2 THR 3 7.966 -2.485 -6.004
20 2HG2 THR 3 3HG2 THR 3 8.604 -4.127 -5.885
21 3HG2 THR 3 2HG2 THR 3 7.174 -3.804 -6.868
22 H CYS 4 H CYS 4 8.536 -2.255 -4.190
23 HA CYS 4 HA CYS 4 8.930 -1.474 -1.576
24 1HB CYS 4 2HB CYS 4 11.053 -0.583 -2.299
25 2HB CYS 4 1HB CYS 4 10.720 -2.075 -3.162
26 H ILE 5 H ILE 5 9.282 0.555 -0.587
27 HA ILE 5 HA ILE 5 7.413 2.597 -1.418
28 HB ILE 5 HB ILE 5 9.366 2.415 0.869
29 1HG1 ILE 5 2HG1 ILE 5 6.945 2.404 2.014
30 2HG1 ILE 5 1HG1 ILE 5 6.518 1.680 0.465
31 1HG2 ILE 5 2HG2 ILE 5 8.304 4.745 -0.154
32 2HG2 ILE 5 1HG2 ILE 5 7.186 4.331 1.146
33 3HG2 ILE 5 3HG2 ILE 5 8.906 4.515 1.488
34 1HD1 ILE 5 1HD1 ILE 5 8.749 0.695 2.258
35 2HD1 ILE 5 3HD1 ILE 5 7.131 -0.003 2.200
36 3HD1 ILE 5 2HD1 ILE 5 8.170 -0.070 0.776
37 HA PRO 6 HA PRO 6 10.698 4.519 -3.849
38 1HB PRO 6 2HB PRO 6 9.104 6.392 -4.996
39 2HB PRO 6 1HB PRO 6 9.233 4.724 -5.577
40 1HG PRO 6 2HG PRO 6 7.119 5.979 -3.888
41 2HG PRO 6 1HG PRO 6 6.957 4.802 -5.205
42 1HD PRO 6 2HD PRO 6 6.833 4.101 -2.583
43 2HD PRO 6 1HD PRO 6 7.446 3.012 -3.845
44 H SER 7 H SER 7 11.676 6.612 -3.888
45 HA SER 7 HA SER 7 11.980 7.860 -1.434
46 1HB SER 7 2HB SER 7 12.399 9.113 -4.145
47 2HB SER 7 1HB SER 7 13.121 9.640 -2.629
48 HG SER 7 HG SER 7 14.642 8.329 -3.513
49 H GLY 8 H GLY 8 10.786 9.218 -0.283
50 1HA GLY 8 2HA GLY 8 9.562 11.286 -0.087
51 2HA GLY 8 1HA GLY 8 8.825 10.950 -1.653
52 H GLN 9 H GLN 9 8.505 8.076 -0.790
53 HA GLN 9 HA GLN 9 5.915 8.413 0.503
54 1HB GLN 9 2HB GLN 9 7.043 6.601 -1.386
55 2HB GLN 9 1HB GLN 9 6.516 5.678 0.018
56 1HG GLN 9 2HG GLN 9 4.483 5.741 -0.967
57 2HG GLN 9 1HG GLN 9 4.410 7.390 -0.343
58 1HE2 GLN 9 2HE2 GLN 9 5.321 8.862 -3.509
59 2HE2 GLN 9 1HE2 GLN 9 5.673 8.984 -1.822
60 HA PRO 10 HA PRO 10 7.242 6.994 4.456
61 1HB PRO 10 2HB PRO 10 5.011 5.774 5.380
62 2HB PRO 10 1HB PRO 10 5.166 7.530 5.220
63 1HG PRO 10 2HG PRO 10 3.698 5.605 3.516
64 2HG PRO 10 1HG PRO 10 3.333 7.299 3.884
65 1HD PRO 10 2HD PRO 10 4.488 6.372 1.528
66 2HD PRO 10 1HD PRO 10 4.518 8.050 2.102
67 H CYS 11 H CYS 11 8.514 5.365 5.050
68 HA CYS 11 HA CYS 11 7.873 2.624 4.144
69 1HB CYS 11 2HB CYS 11 10.234 2.186 3.992
70 2HB CYS 11 1HB CYS 11 9.863 3.619 3.044
71 HA PRO 12 HA PRO 12 7.893 1.629 8.458
72 1HB PRO 12 2HB PRO 12 7.951 -1.069 8.259
73 2HB PRO 12 1HB PRO 12 6.511 -0.098 7.916
74 1HG PRO 12 2HG PRO 12 8.364 -1.442 6.047
75 2HG PRO 12 1HG PRO 12 6.639 -1.087 5.870
76 1HD PRO 12 2HD PRO 12 8.739 0.344 4.702
77 2HD PRO 12 1HD PRO 12 7.056 0.887 4.843
78 H TYR 13 H TYR 13 10.226 -0.065 6.378
79 HA TYR 13 HA TYR 13 12.278 0.288 8.460
80 1HB TYR 13 2HB TYR 13 12.309 -2.244 6.907
81 2HB TYR 13 1HB TYR 13 12.898 -1.913 8.530
82 HD1 TYR 13 HD2 TYR 13 11.106 -1.490 10.346
83 HD2 TYR 13 HD1 TYR 13 10.298 -3.335 6.585
84 HE1 TYR 13 HE2 TYR 13 9.052 -2.489 11.275
85 HE2 TYR 13 HE1 TYR 13 8.246 -4.332 7.516
86 HH TYR 13 HH TYR 13 6.629 -3.755 9.441
87 H ASN 14 H ASN 14 14.468 0.118 7.612
88 HA ASN 14 HA ASN 14 14.795 1.498 5.149
89 1HB ASN 14 2HB ASN 14 16.968 -0.006 6.588
90 2HB ASN 14 1HB ASN 14 17.100 1.454 5.618
91 1HD2 ASN 14 2HD2 ASN 14 17.363 2.723 8.935
92 2HD2 ASN 14 1HD2 ASN 14 18.285 1.940 7.713
93 H GLU 15 H GLU 15 14.148 -1.716 5.812
94 HA GLU 15 HA GLU 15 15.655 -2.815 3.566
95 1HB GLU 15 2HB GLU 15 14.744 -3.822 6.017
96 2HB GLU 15 1HB GLU 15 13.772 -4.631 4.790
97 1HG GLU 15 2HG GLU 15 15.746 -5.423 3.658
98 2HG GLU 15 1HG GLU 15 16.789 -4.455 4.701
99 H ASN 16 H ASN 16 12.578 -1.496 4.209
100 HA ASN 16 HA ASN 16 11.358 -2.874 1.913
101 1HB ASN 16 2HB ASN 16 10.280 -2.541 4.308
102 2HB ASN 16 1HB ASN 16 9.824 -0.979 3.625
103 1HD2 ASN 16 2HD2 ASN 16 6.973 -2.713 2.507
104 2HD2 ASN 16 1HD2 ASN 16 7.621 -1.640 3.696
105 H CYS 17 H CYS 17 13.305 -0.407 2.140
106 HA CYS 17 HA CYS 17 11.734 1.606 0.720
107 1HB CYS 17 2HB CYS 17 14.095 1.612 2.327
108 2HB CYS 17 1HB CYS 17 14.493 2.256 0.742
109 H CYS 18 H CYS 18 12.079 2.217 -1.405
110 HA CYS 18 HA CYS 18 12.835 0.227 -3.245
111 1HB CYS 18 2HB CYS 18 12.435 3.202 -3.491
112 2HB CYS 18 1HB CYS 18 12.850 2.193 -4.865
113 H SER 19 H SER 19 14.519 2.956 -1.839
114 HA SER 19 HA SER 19 16.956 2.410 -3.325
115 1HB SER 19 2HB SER 19 17.656 4.500 -2.703
116 2HB SER 19 1HB SER 19 15.914 4.739 -2.611
117 HG SER 19 HG SER 19 17.235 5.396 -0.706
118 H GLN 20 H GLN 20 15.473 1.305 -0.559
119 HA GLN 20 HA GLN 20 16.192 -0.140 1.073
120 1HB GLN 20 2HB GLN 20 18.405 -0.087 -0.774
121 2HB GLN 20 1HB GLN 20 18.985 -0.190 0.887
122 1HG GLN 20 2HG GLN 20 18.669 -2.432 0.134
123 2HG GLN 20 1HG GLN 20 17.329 -2.076 1.224
124 1HE2 GLN 20 2HE2 GLN 20 15.181 -3.265 -1.246
125 2HE2 GLN 20 1HE2 GLN 20 15.820 -3.428 0.351
126 H SER 21 H SER 21 16.715 3.037 0.859
127 HA SER 21 HA SER 21 18.031 3.191 3.502
128 1HB SER 21 2HB SER 21 18.345 4.812 1.032
129 2HB SER 21 1HB SER 21 18.407 5.659 2.571
130 HG SER 21 HG SER 21 20.225 4.600 3.088
131 H CYS 22 H CYS 22 16.494 3.551 4.988
132 HA CYS 22 HA CYS 22 14.187 5.251 4.309
133 1HB CYS 22 2HB CYS 22 14.710 3.135 6.341
134 2HB CYS 22 1HB CYS 22 13.534 4.382 6.717
135 H THR 23 H THR 23 13.498 6.854 5.902
136 HA THR 23 HA THR 23 15.544 7.795 7.770
137 HB THR 23 HB THR 23 16.226 9.053 5.925
138 HG1 THR 23 HG1 THR 23 16.044 10.856 6.969
139 1HG2 THR 23 2HG2 THR 23 14.245 8.400 4.516
140 2HG2 THR 23 1HG2 THR 23 13.363 9.734 5.266
141 3HG2 THR 23 3HG2 THR 23 14.802 10.060 4.296
142 H PHE 24 H PHE 24 14.629 9.856 8.902
143 HA PHE 24 HA PHE 24 11.739 9.479 9.401
144 1HB PHE 24 2HB PHE 24 13.929 9.131 11.183
145 2HB PHE 24 1HB PHE 24 13.032 10.551 11.696
146 HD1 PHE 24 HD1 PHE 24 10.352 10.146 11.546
147 HD2 PHE 24 HD2 PHE 24 13.328 7.145 12.149
148 HE1 PHE 24 HE1 PHE 24 8.667 8.688 12.601
149 HE2 PHE 24 HE2 PHE 24 11.644 5.688 13.205
150 HZ PHE 24 HZ PHE 24 9.314 6.459 13.430
151 H LYS 25 H LYS 25 10.688 11.235 8.734
152 HA LYS 25 HA LYS 25 11.978 13.877 9.059
153 1HB LYS 25 2HB LYS 25 10.319 12.699 6.888
154 2HB LYS 25 1HB LYS 25 10.101 14.411 7.244
155 1HG LYS 25 2HG LYS 25 12.119 14.969 6.393
156 2HG LYS 25 1HG LYS 25 12.909 13.556 7.085
157 1HD LYS 25 2HD LYS 25 12.068 12.155 5.293
158 2HD LYS 25 1HD LYS 25 11.136 13.498 4.637
159 1HE LYS 25 2HE LYS 25 13.189 13.177 3.356
160 2HE LYS 25 1HE LYS 25 13.221 14.725 4.194
161 1HZ LYS 25 2HZ LYS 25 14.478 13.495 5.994
162 2HZ LYS 25 1HZ LYS 25 14.681 12.244 4.864
163 3HZ LYS 25 3HZ LYS 25 15.312 13.786 4.543
164 H GLU 26 H GLU 26 10.664 15.607 9.770
165 HA GLU 26 HA GLU 26 8.485 14.754 11.492
166 1HB GLU 26 2HB GLU 26 10.268 16.184 12.403
167 2HB GLU 26 1HB GLU 26 9.828 17.444 11.251
168 1HG GLU 26 2HG GLU 26 7.529 17.457 12.244
169 2HG GLU 26 1HG GLU 26 8.103 16.327 13.472
170 H ASN 27 H ASN 27 6.422 15.542 11.412
171 HA ASN 27 HA ASN 27 5.614 16.818 8.885
172 1HB ASN 27 2HB ASN 27 3.344 15.897 10.288
173 2HB ASN 27 1HB ASN 27 4.045 15.228 8.822
174 1HD2 ASN 27 2HD2 ASN 27 4.004 12.986 12.032
175 2HD2 ASN 27 1HD2 ASN 27 2.943 14.295 11.651
176 H GLU 28 H GLU 28 3.226 17.829 9.462
177 HA GLU 28 HA GLU 28 3.851 20.045 11.236
178 1HB GLU 28 2HB GLU 28 2.894 20.316 8.884
179 2HB GLU 28 1HB GLU 28 1.374 19.731 9.558
180 1HG GLU 28 2HG GLU 28 1.029 21.636 10.789
181 2HG GLU 28 1HG GLU 28 2.753 21.940 11.001
182 H ASN 29 H ASN 29 1.709 17.308 10.950
183 HA ASN 29 HA ASN 29 -0.310 17.832 12.725
184 1HB ASN 29 2HB ASN 29 -0.026 15.716 11.445
185 2HB ASN 29 1HB ASN 29 1.234 15.236 12.583
186 1HD2 ASN 29 2HD2 ASN 29 -0.962 14.458 15.211
187 2HD2 ASN 29 1HD2 ASN 29 0.662 14.833 14.759
188 H GLY 30 H GLY 30 3.055 17.180 13.398
189 1HA GLY 30 2HA GLY 30 4.000 18.220 15.397
190 2HA GLY 30 1HA GLY 30 2.549 17.704 16.248
191 H ASN 31 H ASN 31 3.977 15.585 13.926
192 HA ASN 31 HA ASN 31 5.309 14.024 16.040
193 1HB ASN 31 2HB ASN 31 2.938 13.282 14.493
194 2HB ASN 31 1HB ASN 31 4.236 12.093 14.400
195 1HD2 ASN 31 2HD2 ASN 31 2.270 12.782 17.911
196 2HD2 ASN 31 1HD2 ASN 31 2.103 13.842 16.557
197 H THR 32 H THR 32 6.158 11.905 14.567
198 HA THR 32 HA THR 32 7.464 12.980 12.170
199 HB THR 32 HB THR 32 8.894 13.225 14.312
200 HG1 THR 32 HG1 THR 32 10.327 13.446 12.806
201 1HG2 THR 32 1HG2 THR 32 8.460 10.935 15.148
202 2HG2 THR 32 3HG2 THR 32 9.320 10.288 13.750
203 3HG2 THR 32 2HG2 THR 32 10.181 11.269 14.938
204 H VAL 33 H VAL 33 7.658 11.521 10.572
205 HA VAL 33 HA VAL 33 7.070 8.693 11.209
206 HB VAL 33 HB VAL 33 6.415 9.791 8.529
207 1HG1 VAL 33 1HG1 VAL 33 5.722 7.507 10.216
208 2HG1 VAL 33 3HG1 VAL 33 4.334 8.233 9.403
209 3HG1 VAL 33 2HG1 VAL 33 5.712 7.665 8.458
210 1HG2 VAL 33 1HG2 VAL 33 5.037 10.567 11.060
211 2HG2 VAL 33 3HG2 VAL 33 5.295 11.501 9.585
212 3HG2 VAL 33 2HG2 VAL 33 4.053 10.247 9.629
213 H LYS 34 H LYS 34 7.693 7.368 9.074
214 HA LYS 34 HA LYS 34 10.464 8.171 8.430
215 1HB LYS 34 2HB LYS 34 9.204 5.576 9.110
216 2HB LYS 34 1HB LYS 34 10.444 5.548 7.858
217 1HG LYS 34 2HG LYS 34 12.082 6.439 9.316
218 2HG LYS 34 1HG LYS 34 10.873 6.923 10.501
219 1HD LYS 34 2HD LYS 34 10.799 4.871 11.444
220 2HD LYS 34 1HD LYS 34 10.867 4.050 9.887
221 1HE LYS 34 2HE LYS 34 13.243 4.261 9.785
222 2HE LYS 34 1HE LYS 34 13.268 5.367 11.155
223 1HZ LYS 34 1HZ LYS 34 12.315 2.568 11.349
224 2HZ LYS 34 3HZ LYS 34 13.922 3.024 11.648
225 3HZ LYS 34 2HZ LYS 34 12.671 3.638 12.620
226 H ARG 35 H ARG 35 10.999 8.439 6.346
227 HA ARG 35 HA ARG 35 9.059 7.599 4.279
228 1HB ARG 35 2HB ARG 35 10.789 10.071 4.401
229 2HB ARG 35 1HB ARG 35 9.894 9.563 2.971
230 1HG ARG 35 2HG ARG 35 7.855 10.091 3.892
231 2HG ARG 35 1HG ARG 35 8.402 9.797 5.540
232 1HD ARG 35 2HD ARG 35 9.882 11.887 5.201
233 2HD ARG 35 1HD ARG 35 8.840 12.224 3.819
234 HE ARG 35 HE ARG 35 7.234 11.697 6.079
235 1HH1 ARG 35 1HH2 ARG 35 9.352 14.076 4.682
236 2HH1 ARG 35 2HH2 ARG 35 8.666 15.400 5.562
237 1HH2 ARG 35 2HH1 ARG 35 6.359 13.426 7.298
238 2HH2 ARG 35 1HH1 ARG 35 6.963 15.030 7.050
239 H CYS 36 H CYS 36 10.451 7.974 2.031
240 HA CYS 36 HA CYS 36 12.757 6.161 2.347
241 1HB CYS 36 2HB CYS 36 10.612 5.618 0.916
242 2HB CYS 36 1HB CYS 36 11.426 6.611 -0.279
243 H ASP 37 HN ASP 37 14.679 6.622 1.394
244 HA ASP 37 HA ASP 37 15.330 9.366 0.981
245 1HB ASP 37 2HB ASP 37 16.776 6.769 0.961
246 2HB ASP 37 1HB ASP 37 17.533 8.125 0.126
No H/Q in entry = 246
Start of MODEL 10
1 1H SER 1 1H SER 1 1.872 -0.518 -10.474
2 2H SER 1 3H SER 1 1.259 -1.997 -11.035
3 3H SER 1 2H SER 1 0.194 -0.775 -10.528
4 HA SER 1 HA SER 1 0.573 -1.117 -8.328
5 1HB SER 1 2HB SER 1 1.235 -3.859 -9.392
6 2HB SER 1 1HB SER 1 0.426 -3.457 -7.882
7 HG SER 1 HG SER 1 -0.720 -2.497 -10.245
8 HA PRO 2 HA PRO 2 5.092 -0.922 -7.890
9 1HB PRO 2 2HB PRO 2 5.083 0.925 -5.914
10 2HB PRO 2 1HB PRO 2 4.967 1.339 -7.630
11 1HG PRO 2 2HG PRO 2 2.863 1.313 -5.552
12 2HG PRO 2 1HG PRO 2 3.016 2.328 -6.995
13 1HD PRO 2 2HD PRO 2 1.340 0.112 -6.730
14 2HD PRO 2 1HD PRO 2 1.802 0.891 -8.255
15 H THR 3 H THR 3 6.499 -1.258 -5.967
16 HA THR 3 HA THR 3 5.136 -2.803 -3.847
17 HB THR 3 HB THR 3 6.156 -4.525 -4.941
18 HG1 THR 3 HG1 THR 3 7.290 -4.937 -3.217
19 1HG2 THR 3 2HG2 THR 3 7.975 -2.412 -5.960
20 2HG2 THR 3 1HG2 THR 3 8.607 -4.058 -5.890
21 3HG2 THR 3 3HG2 THR 3 7.151 -3.712 -6.824
22 H CYS 4 H CYS 4 8.580 -2.252 -4.129
23 HA CYS 4 HA CYS 4 9.034 -1.457 -1.541
24 1HB CYS 4 2HB CYS 4 11.136 -0.567 -2.305
25 2HB CYS 4 1HB CYS 4 10.780 -2.039 -3.189
26 H ILE 5 H ILE 5 9.350 0.547 -0.524
27 HA ILE 5 HA ILE 5 7.481 2.599 -1.329
28 HB ILE 5 HB ILE 5 9.418 2.365 0.967
29 1HG1 ILE 5 2HG1 ILE 5 6.988 2.373 2.095
30 2HG1 ILE 5 1HG1 ILE 5 6.562 1.682 0.531
31 1HG2 ILE 5 3HG2 ILE 5 8.320 4.720 -0.039
32 2HG2 ILE 5 2HG2 ILE 5 7.295 4.298 1.333
33 3HG2 ILE 5 1HG2 ILE 5 9.037 4.481 1.556
34 1HD1 ILE 5 3HD1 ILE 5 8.738 0.635 2.355
35 2HD1 ILE 5 2HD1 ILE 5 7.121 -0.055 2.206
36 3HD1 ILE 5 1HD1 ILE 5 8.222 -0.082 0.827
37 HA PRO 6 HA PRO 6 10.768 4.572 -3.713
38 1HB PRO 6 2HB PRO 6 9.175 6.467 -4.825
39 2HB PRO 6 1HB PRO 6 9.307 4.811 -5.439
40 1HG PRO 6 2HG PRO 6 7.190 6.028 -3.726
41 2HG PRO 6 1HG PRO 6 7.029 4.880 -5.070
42 1HD PRO 6 2HD PRO 6 6.901 4.120 -2.466
43 2HD PRO 6 1HD PRO 6 7.522 3.060 -3.750
44 H SER 7 H SER 7 11.748 6.659 -3.705
45 HA SER 7 HA SER 7 12.064 7.858 -1.233
46 1HB SER 7 2HB SER 7 12.410 9.321 -3.839
47 2HB SER 7 1HB SER 7 13.287 9.567 -2.333
48 HG SER 7 HG SER 7 14.162 8.144 -4.226
49 H GLY 8 H GLY 8 10.898 9.212 -0.040
50 1HA GLY 8 2HA GLY 8 9.654 11.251 0.228
51 2HA GLY 8 1HA GLY 8 8.915 10.965 -1.347
52 H GLN 9 H GLN 9 8.590 8.063 -0.566
53 HA GLN 9 HA GLN 9 6.000 8.371 0.734
54 1HB GLN 9 2HB GLN 9 7.183 6.547 -1.154
55 2HB GLN 9 1HB GLN 9 6.502 5.656 0.205
56 1HG GLN 9 2HG GLN 9 4.677 5.833 -1.229
57 2HG GLN 9 1HG GLN 9 4.433 7.210 -0.151
58 1HE2 GLN 9 2HE2 GLN 9 5.171 7.751 -4.095
59 2HE2 GLN 9 1HE2 GLN 9 5.124 6.189 -3.361
60 HA PRO 10 HA PRO 10 7.315 6.842 4.647
61 1HB PRO 10 2HB PRO 10 5.084 5.597 5.535
62 2HB PRO 10 1HB PRO 10 5.239 7.357 5.424
63 1HG PRO 10 2HG PRO 10 3.776 5.478 3.665
64 2HG PRO 10 1HG PRO 10 3.409 7.160 4.077
65 1HD PRO 10 2HD PRO 10 4.568 6.296 1.700
66 2HD PRO 10 1HD PRO 10 4.595 7.959 2.318
67 H CYS 11 H CYS 11 8.638 5.221 5.118
68 HA CYS 11 HA CYS 11 7.983 2.492 4.187
69 1HB CYS 11 2HB CYS 11 10.352 2.072 4.011
70 2HB CYS 11 1HB CYS 11 9.949 3.503 3.075
71 HA PRO 12 HA PRO 12 8.082 1.413 8.482
72 1HB PRO 12 2HB PRO 12 8.130 -1.279 8.230
73 2HB PRO 12 1HB PRO 12 6.685 -0.299 7.934
74 1HG PRO 12 2HG PRO 12 8.492 -1.617 6.005
75 2HG PRO 12 1HG PRO 12 6.768 -1.239 5.865
76 1HD PRO 12 2HD PRO 12 8.872 0.193 4.695
77 2HD PRO 12 1HD PRO 12 7.192 0.740 4.858
78 H TYR 13 H TYR 13 10.365 -0.279 6.338
79 HA TYR 13 HA TYR 13 12.449 0.016 8.403
80 1HB TYR 13 2HB TYR 13 12.456 -2.446 6.739
81 2HB TYR 13 1HB TYR 13 13.071 -2.187 8.366
82 HD1 TYR 13 HD2 TYR 13 11.351 -1.903 10.244
83 HD2 TYR 13 HD1 TYR 13 10.394 -3.455 6.386
84 HE1 TYR 13 HE2 TYR 13 9.310 -2.935 11.162
85 HE2 TYR 13 HE1 TYR 13 8.355 -4.486 7.308
86 HH TYR 13 HH TYR 13 7.505 -4.142 10.737
87 H ASN 14 H ASN 14 14.619 -0.043 7.548
88 HA ASN 14 HA ASN 14 14.938 1.432 5.156
89 1HB ASN 14 2HB ASN 14 17.103 -0.193 6.480
90 2HB ASN 14 1HB ASN 14 17.260 1.305 5.573
91 1HD2 ASN 14 2HD2 ASN 14 17.600 2.428 8.934
92 2HD2 ASN 14 1HD2 ASN 14 18.484 1.680 7.662
93 H GLU 15 H GLU 15 14.365 -1.846 5.708
94 HA GLU 15 HA GLU 15 15.777 -2.834 3.364
95 1HB GLU 15 2HB GLU 15 15.037 -3.962 5.757
96 2HB GLU 15 1HB GLU 15 13.829 -4.603 4.645
97 1HG GLU 15 2HG GLU 15 16.537 -4.659 3.543
98 2HG GLU 15 1HG GLU 15 16.370 -5.615 5.017
99 H ASN 16 H ASN 16 12.575 -1.820 4.278
100 HA ASN 16 HA ASN 16 11.366 -2.988 1.893
101 1HB ASN 16 2HB ASN 16 10.341 -2.711 4.318
102 2HB ASN 16 1HB ASN 16 9.882 -1.128 3.686
103 1HD2 ASN 16 2HD2 ASN 16 7.001 -2.702 2.477
104 2HD2 ASN 16 1HD2 ASN 16 7.689 -1.591 3.608
105 H CYS 17 H CYS 17 13.340 -0.552 2.121
106 HA CYS 17 HA CYS 17 11.737 1.493 0.773
107 1HB CYS 17 2HB CYS 17 14.100 1.492 2.379
108 2HB CYS 17 1HB CYS 17 14.483 2.183 0.810
109 H CYS 18 H CYS 18 12.117 2.195 -1.327
110 HA CYS 18 HA CYS 18 12.865 0.252 -3.223
111 1HB CYS 18 2HB CYS 18 12.464 3.232 -3.385
112 2HB CYS 18 1HB CYS 18 12.883 2.264 -4.787
113 H SER 19 H SER 19 14.544 2.930 -1.728
114 HA SER 19 HA SER 19 16.990 2.424 -3.222
115 1HB SER 19 2HB SER 19 17.683 4.507 -2.556
116 2HB SER 19 1HB SER 19 15.940 4.740 -2.494
117 HG SER 19 HG SER 19 16.930 5.439 -0.549
118 H GLN 20 H GLN 20 15.501 1.256 -0.492
119 HA GLN 20 HA GLN 20 16.207 -0.173 1.153
120 1HB GLN 20 2HB GLN 20 18.950 0.198 -0.060
121 2HB GLN 20 1HB GLN 20 18.508 -1.005 1.147
122 1HG GLN 20 2HG GLN 20 17.417 -0.801 -1.668
123 2HG GLN 20 1HG GLN 20 18.520 -2.034 -1.053
124 1HE2 GLN 20 2HE2 GLN 20 15.949 -3.468 1.096
125 2HE2 GLN 20 1HE2 GLN 20 17.571 -2.886 1.212
126 H SER 21 H SER 21 16.702 2.984 0.975
127 HA SER 21 HA SER 21 18.081 3.120 3.588
128 1HB SER 21 2HB SER 21 18.374 4.733 1.121
129 2HB SER 21 1HB SER 21 18.411 5.607 2.646
130 HG SER 21 HG SER 21 20.489 4.974 2.360
131 H CYS 22 H CYS 22 16.539 3.416 5.087
132 HA CYS 22 HA CYS 22 14.241 5.152 4.484
133 1HB CYS 22 2HB CYS 22 14.774 2.984 6.460
134 2HB CYS 22 1HB CYS 22 13.584 4.211 6.853
135 H THR 23 H THR 23 13.667 6.847 5.911
136 HA THR 23 HA THR 23 15.663 7.673 7.899
137 HB THR 23 HB THR 23 16.447 8.918 6.092
138 HG1 THR 23 HG1 THR 23 16.282 10.609 7.321
139 1HG2 THR 23 3HG2 THR 23 14.546 8.317 4.583
140 2HG2 THR 23 2HG2 THR 23 13.616 9.625 5.316
141 3HG2 THR 23 1HG2 THR 23 15.094 9.986 4.421
142 H PHE 24 H PHE 24 14.773 9.785 8.998
143 HA PHE 24 HA PHE 24 11.882 9.398 9.488
144 1HB PHE 24 2HB PHE 24 14.120 9.359 11.278
145 2HB PHE 24 1HB PHE 24 13.065 10.703 11.689
146 HD1 PHE 24 HD2 PHE 24 10.526 10.138 11.863
147 HD2 PHE 24 HD1 PHE 24 13.657 7.244 12.075
148 HE1 PHE 24 HE2 PHE 24 9.007 8.580 13.020
149 HE2 PHE 24 HE1 PHE 24 12.138 5.687 13.235
150 HZ PHE 24 HZ PHE 24 9.813 6.356 13.708
151 H LYS 25 H LYS 25 10.716 11.061 8.784
152 HA LYS 25 HA LYS 25 11.909 13.767 8.842
153 1HB LYS 25 2HB LYS 25 10.974 12.372 6.637
154 2HB LYS 25 1HB LYS 25 9.637 13.443 7.053
155 1HG LYS 25 2HG LYS 25 12.402 14.569 6.994
156 2HG LYS 25 1HG LYS 25 11.594 14.247 5.462
157 1HD LYS 25 2HD LYS 25 9.621 15.567 6.401
158 2HD LYS 25 1HD LYS 25 10.714 16.088 7.680
159 1HE LYS 25 2HE LYS 25 11.336 17.748 6.309
160 2HE LYS 25 1HE LYS 25 12.165 16.522 5.354
161 1HZ LYS 25 3HZ LYS 25 9.308 16.887 4.884
162 2HZ LYS 25 2HZ LYS 25 10.349 18.111 4.331
163 3HZ LYS 25 1HZ LYS 25 10.550 16.513 3.791
164 H GLU 26 H GLU 26 10.694 15.415 9.693
165 HA GLU 26 HA GLU 26 8.442 14.615 11.342
166 1HB GLU 26 2HB GLU 26 10.254 15.985 12.298
167 2HB GLU 26 1HB GLU 26 9.868 17.267 11.154
168 1HG GLU 26 2HG GLU 26 7.427 16.879 12.223
169 2HG GLU 26 1HG GLU 26 8.426 16.404 13.598
170 H ASN 27 H ASN 27 6.376 15.270 11.086
171 HA ASN 27 HA ASN 27 5.670 16.531 8.550
172 1HB ASN 27 2HB ASN 27 3.458 15.842 10.314
173 2HB ASN 27 1HB ASN 27 3.779 15.330 8.664
174 1HD2 ASN 27 2HD2 ASN 27 4.200 12.712 11.560
175 2HD2 ASN 27 1HD2 ASN 27 3.251 14.154 11.597
176 H GLU 28 H GLU 28 3.326 17.733 9.105
177 HA GLU 28 HA GLU 28 4.165 20.111 10.548
178 1HB GLU 28 2HB GLU 28 3.118 20.199 8.253
179 2HB GLU 28 1HB GLU 28 1.610 19.686 9.008
180 1HG GLU 28 2HG GLU 28 2.817 21.910 10.435
181 2HG GLU 28 1HG GLU 28 2.528 22.306 8.740
182 H ASN 29 H ASN 29 2.261 17.321 10.989
183 HA ASN 29 HA ASN 29 0.324 18.341 12.812
184 1HB ASN 29 2HB ASN 29 0.425 16.073 11.501
185 2HB ASN 29 1HB ASN 29 1.309 15.517 12.921
186 1HD2 ASN 29 2HD2 ASN 29 -1.857 14.707 14.197
187 2HD2 ASN 29 1HD2 ASN 29 -0.388 14.122 13.504
188 H GLY 30 H GLY 30 3.653 17.823 13.052
189 1HA GLY 30 2HA GLY 30 4.955 18.531 14.887
190 2HA GLY 30 1HA GLY 30 3.565 18.269 15.935
191 H ASN 31 H ASN 31 4.086 15.782 13.691
192 HA ASN 31 HA ASN 31 5.289 14.086 15.789
193 1HB ASN 31 2HB ASN 31 3.248 13.583 13.658
194 2HB ASN 31 1HB ASN 31 4.251 12.254 14.231
195 1HD2 ASN 31 2HD2 ASN 31 1.368 13.883 16.609
196 2HD2 ASN 31 1HD2 ASN 31 1.852 14.628 15.127
197 H THR 32 H THR 32 6.267 12.021 14.543
198 HA THR 32 HA THR 32 7.817 12.909 12.219
199 HB THR 32 HB THR 32 9.000 13.214 14.550
200 HG1 THR 32 HG1 THR 32 10.193 13.638 12.801
201 1HG2 THR 32 3HG2 THR 32 8.586 10.864 15.262
202 2HG2 THR 32 2HG2 THR 32 9.630 10.322 13.946
203 3HG2 THR 32 1HG2 THR 32 10.296 11.303 15.254
204 H VAL 33 H VAL 33 7.755 11.417 10.697
205 HA VAL 33 HA VAL 33 7.289 8.602 11.474
206 HB VAL 33 HB VAL 33 6.574 9.609 8.766
207 1HG1 VAL 33 3HG1 VAL 33 6.015 7.314 10.476
208 2HG1 VAL 33 2HG1 VAL 33 4.566 7.982 9.720
209 3HG1 VAL 33 1HG1 VAL 33 5.927 7.467 8.720
210 1HG2 VAL 33 3HG2 VAL 33 5.633 11.295 10.305
211 2HG2 VAL 33 2HG2 VAL 33 4.374 10.340 9.518
212 3HG2 VAL 33 1HG2 VAL 33 4.816 10.008 11.194
213 H LYS 34 H LYS 34 7.854 7.281 9.239
214 HA LYS 34 HA LYS 34 10.628 8.072 8.599
215 1HB LYS 34 2HB LYS 34 9.399 5.472 9.339
216 2HB LYS 34 1HB LYS 34 10.666 5.445 8.117
217 1HG LYS 34 2HG LYS 34 12.263 6.351 9.587
218 2HG LYS 34 1HG LYS 34 11.030 6.923 10.707
219 1HD LYS 34 2HD LYS 34 11.555 4.000 10.151
220 2HD LYS 34 1HD LYS 34 12.297 4.888 11.481
221 1HE LYS 34 2HE LYS 34 10.495 4.355 12.700
222 2HE LYS 34 1HE LYS 34 9.588 5.482 11.695
223 1HZ LYS 34 1HZ LYS 34 10.007 2.761 10.702
224 2HZ LYS 34 3HZ LYS 34 8.871 2.993 11.939
225 3HZ LYS 34 2HZ LYS 34 8.696 3.814 10.461
226 H ARG 35 H ARG 35 11.031 8.456 6.522
227 HA ARG 35 HA ARG 35 9.120 7.476 4.490
228 1HB ARG 35 2HB ARG 35 10.703 10.025 4.697
229 2HB ARG 35 1HB ARG 35 10.080 9.457 3.151
230 1HG ARG 35 2HG ARG 35 7.904 9.874 3.719
231 2HG ARG 35 1HG ARG 35 8.172 9.530 5.426
232 1HD ARG 35 2HD ARG 35 9.577 11.722 5.393
233 2HD ARG 35 1HD ARG 35 8.698 12.063 3.904
234 HE ARG 35 HE ARG 35 6.892 11.306 5.960
235 1HH1 ARG 35 1HH2 ARG 35 8.881 13.908 4.783
236 2HH1 ARG 35 2HH2 ARG 35 7.958 15.147 5.566
237 1HH2 ARG 35 2HH1 ARG 35 5.698 12.929 7.047
238 2HH2 ARG 35 1HH1 ARG 35 6.148 14.590 6.853
239 H CYS 36 H CYS 36 10.520 7.905 2.220
240 HA CYS 36 HA CYS 36 12.820 6.083 2.523
241 1HB CYS 36 2HB CYS 36 10.683 5.573 1.071
242 2HB CYS 36 1HB CYS 36 11.502 6.585 -0.101
243 H ASP 37 HN ASP 37 14.726 6.500 1.435
244 HA ASP 37 HA ASP 37 15.445 9.248 1.179
245 1HB ASP 37 2HB ASP 37 16.808 6.620 0.896
246 2HB ASP 37 1HB ASP 37 17.565 8.017 0.133
No H/Q in entry = 246
Start of MODEL 11
1 1H SER 1 3H SER 1 8.712 -3.276 -9.110
2 2H SER 1 2H SER 1 9.102 -2.962 -10.735
3 3H SER 1 1H SER 1 10.274 -3.603 -9.685
4 HA SER 1 HA SER 1 10.763 -1.642 -8.762
5 1HB SER 1 2HB SER 1 9.932 -1.316 -11.513
6 2HB SER 1 1HB SER 1 9.694 0.172 -10.604
7 HG SER 1 HG SER 1 11.982 -0.458 -9.806
8 HA PRO 2 HA PRO 2 6.602 0.624 -8.103
9 1HB PRO 2 2HB PRO 2 4.357 -0.420 -9.188
10 2HB PRO 2 1HB PRO 2 5.418 0.707 -10.046
11 1HG PRO 2 2HG PRO 2 5.067 -2.192 -10.422
12 2HG PRO 2 1HG PRO 2 5.616 -0.960 -11.569
13 1HD PRO 2 2HD PRO 2 7.226 -2.797 -10.143
14 2HD PRO 2 1HD PRO 2 7.778 -1.434 -11.136
15 H THR 3 H THR 3 7.626 -1.284 -6.457
16 HA THR 3 HA THR 3 5.221 -2.354 -5.142
17 HB THR 3 HB THR 3 6.681 -4.064 -6.454
18 HG1 THR 3 HG1 THR 3 5.260 -5.078 -5.260
19 1HG2 THR 3 1HG2 THR 3 8.306 -3.726 -3.930
20 2HG2 THR 3 3HG2 THR 3 8.493 -5.034 -5.101
21 3HG2 THR 3 2HG2 THR 3 8.845 -3.370 -5.573
22 H CYS 4 H CYS 4 8.680 -1.669 -4.806
23 HA CYS 4 HA CYS 4 8.641 -1.508 -1.960
24 1HB CYS 4 2HB CYS 4 10.877 -0.473 -2.263
25 2HB CYS 4 1HB CYS 4 10.697 -2.012 -3.088
26 H ILE 5 H ILE 5 9.387 0.568 -0.856
27 HA ILE 5 HA ILE 5 7.512 2.684 -1.583
28 HB ILE 5 HB ILE 5 9.378 2.427 0.768
29 1HG1 ILE 5 2HG1 ILE 5 6.682 2.155 1.543
30 2HG1 ILE 5 1HG1 ILE 5 6.898 1.117 0.135
31 1HG2 ILE 5 3HG2 ILE 5 8.304 4.722 -0.064
32 2HG2 ILE 5 2HG2 ILE 5 6.927 4.099 0.847
33 3HG2 ILE 5 1HG2 ILE 5 8.482 4.330 1.647
34 1HD1 ILE 5 1HD1 ILE 5 8.971 1.056 2.284
35 2HD1 ILE 5 3HD1 ILE 5 7.435 0.234 2.566
36 3HD1 ILE 5 2HD1 ILE 5 8.444 -0.228 1.193
37 HA PRO 6 HA PRO 6 10.985 4.678 -3.653
38 1HB PRO 6 2HB PRO 6 9.488 6.546 -4.928
39 2HB PRO 6 1HB PRO 6 9.698 4.887 -5.514
40 1HG PRO 6 2HG PRO 6 7.392 6.113 -4.097
41 2HG PRO 6 1HG PRO 6 7.411 4.879 -5.369
42 1HD PRO 6 2HD PRO 6 7.035 4.341 -2.697
43 2HD PRO 6 1HD PRO 6 7.653 3.165 -3.875
44 H SER 7 H SER 7 11.930 6.793 -3.578
45 HA SER 7 HA SER 7 12.018 7.988 -1.091
46 1HB SER 7 2HB SER 7 13.704 8.286 -2.875
47 2HB SER 7 1HB SER 7 12.578 9.329 -3.737
48 HG SER 7 HG SER 7 12.676 10.268 -1.292
49 H GLY 8 H GLY 8 10.729 9.295 0.009
50 1HA GLY 8 2HA GLY 8 9.460 11.350 0.129
51 2HA GLY 8 1HA GLY 8 8.777 10.965 -1.449
52 H GLN 9 H GLN 9 8.435 8.119 -0.663
53 HA GLN 9 HA GLN 9 5.859 8.431 0.669
54 1HB GLN 9 2HB GLN 9 6.972 6.652 -1.278
55 2HB GLN 9 1HB GLN 9 6.383 5.713 0.090
56 1HG GLN 9 2HG GLN 9 4.294 5.962 -0.670
57 2HG GLN 9 1HG GLN 9 4.439 7.707 -0.451
58 1HE2 GLN 9 2HE2 GLN 9 4.995 6.029 -4.147
59 2HE2 GLN 9 1HE2 GLN 9 5.108 5.077 -2.710
60 HA PRO 10 HA PRO 10 7.183 6.848 4.552
61 1HB PRO 10 2HB PRO 10 4.974 5.549 5.420
62 2HB PRO 10 1HB PRO 10 5.097 7.313 5.330
63 1HG PRO 10 2HG PRO 10 3.671 5.428 3.546
64 2HG PRO 10 1HG PRO 10 3.273 7.100 3.978
65 1HD PRO 10 2HD PRO 10 4.452 6.284 1.593
66 2HD PRO 10 1HD PRO 10 4.447 7.941 2.230
67 H CYS 11 H CYS 11 8.491 5.236 5.081
68 HA CYS 11 HA CYS 11 7.929 2.514 4.076
69 1HB CYS 11 2HB CYS 11 10.285 2.134 3.938
70 2HB CYS 11 1HB CYS 11 9.937 3.637 3.094
71 HA PRO 12 HA PRO 12 7.819 1.377 8.357
72 1HB PRO 12 2HB PRO 12 7.974 -1.311 8.078
73 2HB PRO 12 1HB PRO 12 6.512 -0.378 7.721
74 1HG PRO 12 2HG PRO 12 8.484 -1.577 5.867
75 2HG PRO 12 1HG PRO 12 6.746 -1.317 5.656
76 1HD PRO 12 2HD PRO 12 8.758 0.262 4.560
77 2HD PRO 12 1HD PRO 12 7.056 0.734 4.739
78 H TYR 13 H TYR 13 10.191 -0.383 6.364
79 HA TYR 13 HA TYR 13 12.207 0.049 8.476
80 1HB TYR 13 2HB TYR 13 12.338 -2.443 6.863
81 2HB TYR 13 1HB TYR 13 12.878 -2.139 8.508
82 HD1 TYR 13 HD2 TYR 13 11.316 -2.280 10.378
83 HD2 TYR 13 HD1 TYR 13 10.079 -3.104 6.378
84 HE1 TYR 13 HE2 TYR 13 9.269 -3.357 11.230
85 HE2 TYR 13 HE1 TYR 13 8.034 -4.180 7.234
86 HH TYR 13 HH TYR 13 7.625 -5.223 10.248
87 H ASN 14 H ASN 14 14.438 -0.158 7.640
88 HA ASN 14 HA ASN 14 14.779 1.339 5.239
89 1HB ASN 14 2HB ASN 14 16.940 -0.194 6.666
90 2HB ASN 14 1HB ASN 14 17.080 1.295 5.740
91 1HD2 ASN 14 2HD2 ASN 14 17.250 2.450 9.116
92 2HD2 ASN 14 1HD2 ASN 14 18.212 1.687 7.911
93 H GLU 15 H GLU 15 14.069 -1.869 5.715
94 HA GLU 15 HA GLU 15 15.632 -2.866 3.450
95 1HB GLU 15 2HB GLU 15 14.820 -4.000 5.848
96 2HB GLU 15 1HB GLU 15 13.744 -4.722 4.653
97 1HG GLU 15 2HG GLU 15 16.019 -5.001 3.306
98 2HG GLU 15 1HG GLU 15 16.705 -4.951 4.931
99 H ASN 16 H ASN 16 12.615 -1.488 4.064
100 HA ASN 16 HA ASN 16 11.322 -2.870 1.811
101 1HB ASN 16 2HB ASN 16 10.264 -2.368 4.188
102 2HB ASN 16 1HB ASN 16 9.908 -0.812 3.437
103 1HD2 ASN 16 2HD2 ASN 16 6.953 -2.431 2.407
104 2HD2 ASN 16 1HD2 ASN 16 7.665 -1.365 3.564
105 H CYS 17 H CYS 17 13.169 -0.164 2.384
106 HA CYS 17 HA CYS 17 11.817 1.745 0.730
107 1HB CYS 17 2HB CYS 17 14.193 1.647 2.346
108 2HB CYS 17 1HB CYS 17 14.570 2.326 0.769
109 H CYS 18 H CYS 18 12.208 2.286 -1.393
110 HA CYS 18 HA CYS 18 12.916 0.241 -3.188
111 1HB CYS 18 2HB CYS 18 12.556 3.212 -3.459
112 2HB CYS 18 1HB CYS 18 13.072 2.232 -4.822
113 H SER 19 H SER 19 14.684 2.891 -1.752
114 HA SER 19 HA SER 19 17.121 2.242 -3.209
115 1HB SER 19 2HB SER 19 17.828 4.340 -2.716
116 2HB SER 19 1HB SER 19 16.108 4.626 -2.476
117 HG SER 19 HG SER 19 17.968 4.990 -0.707
118 H GLN 20 H GLN 20 15.553 1.238 -0.463
119 HA GLN 20 HA GLN 20 16.208 -0.219 1.190
120 1HB GLN 20 2HB GLN 20 18.449 -0.224 -0.581
121 2HB GLN 20 1HB GLN 20 19.031 -0.190 1.081
122 1HG GLN 20 2HG GLN 20 18.788 -2.466 0.750
123 2HG GLN 20 1HG GLN 20 17.210 -2.061 1.428
124 1HE2 GLN 20 2HE2 GLN 20 15.788 -3.686 -1.309
125 2HE2 GLN 20 1HE2 GLN 20 16.026 -3.623 0.402
126 H SER 21 H SER 21 16.854 2.973 0.925
127 HA SER 21 HA SER 21 18.048 3.151 3.620
128 1HB SER 21 2HB SER 21 18.243 4.874 1.185
129 2HB SER 21 1HB SER 21 18.416 5.604 2.774
130 HG SER 21 HG SER 21 19.998 3.591 1.555
131 H CYS 22 H CYS 22 16.591 3.577 5.147
132 HA CYS 22 HA CYS 22 14.211 5.186 4.464
133 1HB CYS 22 2HB CYS 22 14.731 2.991 6.411
134 2HB CYS 22 1HB CYS 22 13.543 4.212 6.834
135 H THR 23 H THR 23 13.668 6.957 5.738
136 HA THR 23 HA THR 23 15.589 7.766 7.822
137 HB THR 23 HB THR 23 16.399 9.041 6.068
138 HG1 THR 23 HG1 THR 23 16.107 10.768 7.215
139 1HG2 THR 23 2HG2 THR 23 14.618 8.338 4.468
140 2HG2 THR 23 1HG2 THR 23 13.585 9.606 5.132
141 3HG2 THR 23 3HG2 THR 23 15.088 10.033 4.311
142 H PHE 24 H PHE 24 14.678 9.870 8.899
143 HA PHE 24 HA PHE 24 11.794 9.450 9.401
144 1HB PHE 24 2HB PHE 24 14.063 9.581 11.169
145 2HB PHE 24 1HB PHE 24 12.926 10.868 11.543
146 HD1 PHE 24 HD1 PHE 24 10.446 10.174 11.811
147 HD2 PHE 24 HD2 PHE 24 13.722 7.442 11.981
148 HE1 PHE 24 HE1 PHE 24 9.038 8.561 13.031
149 HE2 PHE 24 HE2 PHE 24 12.313 5.829 13.200
150 HZ PHE 24 HZ PHE 24 9.971 6.388 13.726
151 H LYS 25 H LYS 25 10.571 11.062 8.664
152 HA LYS 25 HA LYS 25 11.732 13.776 8.498
153 1HB LYS 25 2HB LYS 25 10.736 12.321 6.442
154 2HB LYS 25 1HB LYS 25 9.281 13.165 6.970
155 1HG LYS 25 2HG LYS 25 11.819 14.711 6.621
156 2HG LYS 25 1HG LYS 25 10.890 14.255 5.195
157 1HD LYS 25 2HD LYS 25 8.945 15.234 6.872
158 2HD LYS 25 1HD LYS 25 10.319 16.272 7.245
159 1HE LYS 25 2HE LYS 25 9.559 15.720 4.395
160 2HE LYS 25 1HE LYS 25 8.708 16.952 5.321
161 1HZ LYS 25 1HZ LYS 25 11.534 17.175 5.601
162 2HZ LYS 25 3HZ LYS 25 11.067 17.259 3.973
163 3HZ LYS 25 2HZ LYS 25 10.402 18.339 5.104
164 H GLU 26 H GLU 26 10.375 15.544 9.086
165 HA GLU 26 HA GLU 26 8.451 14.842 11.155
166 1HB GLU 26 2HB GLU 26 10.423 16.581 11.298
167 2HB GLU 26 1HB GLU 26 9.233 17.653 10.565
168 1HG GLU 26 2HG GLU 26 7.771 17.475 12.395
169 2HG GLU 26 1HG GLU 26 8.550 16.008 12.989
170 H ASN 27 H ASN 27 6.328 15.368 11.106
171 HA ASN 27 HA ASN 27 5.236 16.264 8.542
172 1HB ASN 27 2HB ASN 27 3.239 15.573 10.505
173 2HB ASN 27 1HB ASN 27 3.569 14.832 8.946
174 1HD2 ASN 27 2HD2 ASN 27 4.274 12.699 12.130
175 2HD2 ASN 27 1HD2 ASN 27 3.119 13.967 11.931
176 H GLU 28 H GLU 28 2.903 17.369 9.153
177 HA GLU 28 HA GLU 28 3.662 19.889 10.384
178 1HB GLU 28 2HB GLU 28 2.475 19.723 8.151
179 2HB GLU 28 1HB GLU 28 1.048 19.214 9.051
180 1HG GLU 28 2HG GLU 28 0.822 21.561 8.736
181 2HG GLU 28 1HG GLU 28 1.314 21.344 10.417
182 H ASN 29 H ASN 29 1.961 17.033 11.127
183 HA ASN 29 HA ASN 29 0.075 18.069 12.995
184 1HB ASN 29 2HB ASN 29 0.227 15.728 11.823
185 2HB ASN 29 1HB ASN 29 1.218 15.314 13.224
186 1HD2 ASN 29 2HD2 ASN 29 -1.774 14.463 14.818
187 2HD2 ASN 29 1HD2 ASN 29 -0.280 13.926 14.136
188 H GLY 30 H GLY 30 3.440 17.712 13.072
189 1HA GLY 30 2HA GLY 30 4.796 18.617 14.784
190 2HA GLY 30 1HA GLY 30 3.483 18.340 15.924
191 H ASN 31 H ASN 31 4.079 15.774 13.772
192 HA ASN 31 HA ASN 31 5.513 14.280 15.881
193 1HB ASN 31 2HB ASN 31 3.265 13.571 14.065
194 2HB ASN 31 1HB ASN 31 4.440 12.312 14.441
195 1HD2 ASN 31 2HD2 ASN 31 1.893 13.727 17.297
196 2HD2 ASN 31 1HD2 ASN 31 2.080 14.522 15.774
197 H THR 32 H THR 32 6.399 12.133 14.588
198 HA THR 32 HA THR 32 7.774 13.018 12.152
199 HB THR 32 HB THR 32 9.147 13.419 14.303
200 HG1 THR 32 HG1 THR 32 10.171 13.556 12.365
201 1HG2 THR 32 3HG2 THR 32 8.622 11.148 15.244
202 2HG2 THR 32 2HG2 THR 32 9.654 10.461 13.987
203 3HG2 THR 32 1HG2 THR 32 10.340 11.549 15.196
204 H VAL 33 H VAL 33 7.642 11.506 10.648
205 HA VAL 33 HA VAL 33 7.195 8.704 11.475
206 HB VAL 33 HB VAL 33 6.501 9.655 8.745
207 1HG1 VAL 33 1HG1 VAL 33 5.871 7.433 10.533
208 2HG1 VAL 33 3HG1 VAL 33 4.455 8.103 9.718
209 3HG1 VAL 33 2HG1 VAL 33 5.826 7.520 8.770
210 1HG2 VAL 33 1HG2 VAL 33 5.268 10.661 11.224
211 2HG2 VAL 33 3HG2 VAL 33 5.246 11.333 9.592
212 3HG2 VAL 33 2HG2 VAL 33 4.133 10.035 10.026
213 H LYS 34 H LYS 34 7.749 7.340 9.261
214 HA LYS 34 HA LYS 34 10.528 8.101 8.605
215 1HB LYS 34 2HB LYS 34 9.291 5.529 9.411
216 2HB LYS 34 1HB LYS 34 10.536 5.460 8.167
217 1HG LYS 34 2HG LYS 34 12.168 6.383 9.582
218 2HG LYS 34 1HG LYS 34 10.963 7.001 10.709
219 1HD LYS 34 2HD LYS 34 10.775 5.019 11.800
220 2HD LYS 34 1HD LYS 34 10.944 4.074 10.323
221 1HE LYS 34 2HE LYS 34 13.324 5.545 11.370
222 2HE LYS 34 1HE LYS 34 12.830 4.057 12.171
223 1HZ LYS 34 1HZ LYS 34 12.748 3.420 9.537
224 2HZ LYS 34 3HZ LYS 34 14.105 4.433 9.632
225 3HZ LYS 34 2HZ LYS 34 14.013 3.045 10.606
226 H ARG 35 H ARG 35 10.854 8.551 6.538
227 HA ARG 35 HA ARG 35 8.978 7.491 4.517
228 1HB ARG 35 2HB ARG 35 10.440 10.092 4.780
229 2HB ARG 35 1HB ARG 35 10.003 9.499 3.179
230 1HG ARG 35 2HG ARG 35 7.771 9.819 3.520
231 2HG ARG 35 1HG ARG 35 7.871 9.435 5.236
232 1HD ARG 35 2HD ARG 35 9.188 11.700 5.373
233 2HD ARG 35 1HD ARG 35 8.375 12.038 3.845
234 HE ARG 35 HE ARG 35 6.488 11.111 5.739
235 1HH1 ARG 35 1HH2 ARG 35 8.443 13.854 4.866
236 2HH1 ARG 35 2HH2 ARG 35 7.421 15.006 5.661
237 1HH2 ARG 35 2HH1 ARG 35 5.160 12.615 6.844
238 2HH2 ARG 35 1HH1 ARG 35 5.554 14.301 6.786
239 H CYS 36 H CYS 36 10.392 7.952 2.242
240 HA CYS 36 HA CYS 36 12.699 6.141 2.556
241 1HB CYS 36 2HB CYS 36 10.596 5.601 1.096
242 2HB CYS 36 1HB CYS 36 11.369 6.666 -0.063
243 H ASP 37 HN ASP 37 14.660 6.822 2.059
244 HA ASP 37 HA ASP 37 15.347 9.473 1.632
245 1HB ASP 37 2HB ASP 37 16.734 6.860 1.339
246 2HB ASP 37 1HB ASP 37 17.499 8.270 0.606
No H/Q in entry = 246
Start of MODEL 12
1 1H SER 1 3H SER 1 3.479 0.000 -8.396
2 2H SER 1 2H SER 1 2.142 0.614 -9.247
3 3H SER 1 1H SER 1 3.668 1.340 -9.419
4 HA SER 1 HA SER 1 3.467 2.556 -7.588
5 1HB SER 1 2HB SER 1 0.847 1.972 -8.633
6 2HB SER 1 1HB SER 1 0.761 2.243 -6.895
7 HG SER 1 HG SER 1 0.713 4.272 -7.661
8 HA PRO 2 HA PRO 2 1.885 -0.370 -4.147
9 1HB PRO 2 2HB PRO 2 0.919 -2.804 -4.827
10 2HB PRO 2 1HB PRO 2 -0.084 -1.347 -4.744
11 1HG PRO 2 2HG PRO 2 0.944 -2.792 -7.106
12 2HG PRO 2 1HG PRO 2 -0.523 -1.818 -6.925
13 1HD PRO 2 2HD PRO 2 1.865 -1.005 -8.150
14 2HD PRO 2 1HD PRO 2 0.519 0.046 -7.667
15 H THR 3 H THR 3 4.365 -0.247 -4.512
16 HA THR 3 HA THR 3 5.430 -2.933 -4.101
17 HB THR 3 HB THR 3 5.620 -2.243 -6.570
18 HG1 THR 3 HG1 THR 3 7.065 -3.746 -6.435
19 1HG2 THR 3 2HG2 THR 3 6.470 0.108 -5.737
20 2HG2 THR 3 1HG2 THR 3 8.036 -0.707 -5.736
21 3HG2 THR 3 3HG2 THR 3 7.093 -0.607 -7.225
22 H CYS 4 H CYS 4 8.180 -1.902 -4.307
23 HA CYS 4 HA CYS 4 8.716 -1.207 -1.709
24 1HB CYS 4 2HB CYS 4 10.859 -0.405 -2.489
25 2HB CYS 4 1HB CYS 4 10.414 -1.853 -3.375
26 H ILE 5 H ILE 5 9.148 0.759 -0.636
27 HA ILE 5 HA ILE 5 7.396 2.926 -1.400
28 HB ILE 5 HB ILE 5 9.341 2.609 0.878
29 1HG1 ILE 5 2HG1 ILE 5 6.704 2.694 1.806
30 2HG1 ILE 5 1HG1 ILE 5 6.658 1.652 0.387
31 1HG2 ILE 5 3HG2 ILE 5 8.584 4.998 0.032
32 2HG2 ILE 5 2HG2 ILE 5 7.120 4.594 0.931
33 3HG2 ILE 5 1HG2 ILE 5 8.680 4.622 1.753
34 1HD1 ILE 5 1HD1 ILE 5 8.931 1.174 2.200
35 2HD1 ILE 5 3HD1 ILE 5 7.344 0.811 2.883
36 3HD1 ILE 5 2HD1 ILE 5 7.865 0.022 1.392
37 HA PRO 6 HA PRO 6 10.771 4.776 -3.742
38 1HB PRO 6 2HB PRO 6 9.260 6.727 -4.867
39 2HB PRO 6 1HB PRO 6 9.336 5.068 -5.482
40 1HG PRO 6 2HG PRO 6 7.237 6.372 -3.822
41 2HG PRO 6 1HG PRO 6 7.066 5.194 -5.137
42 1HD PRO 6 2HD PRO 6 6.891 4.536 -2.490
43 2HD PRO 6 1HD PRO 6 7.419 3.402 -3.750
44 H SER 7 H SER 7 11.822 6.832 -3.714
45 HA SER 7 HA SER 7 12.135 8.003 -1.225
46 1HB SER 7 2HB SER 7 13.808 8.290 -2.912
47 2HB SER 7 1HB SER 7 12.674 9.115 -3.976
48 HG SER 7 HG SER 7 12.826 10.902 -2.757
49 H GLY 8 H GLY 8 10.916 9.308 -0.038
50 1HA GLY 8 2HA GLY 8 9.769 11.436 0.188
51 2HA GLY 8 1HA GLY 8 9.024 11.141 -1.382
52 H GLN 9 H GLN 9 8.630 8.269 -0.583
53 HA GLN 9 HA GLN 9 6.055 8.636 0.729
54 1HB GLN 9 2HB GLN 9 7.347 6.508 -0.901
55 2HB GLN 9 1HB GLN 9 6.092 6.022 0.237
56 1HG GLN 9 2HG GLN 9 4.625 7.811 -0.794
57 2HG GLN 9 1HG GLN 9 5.855 7.987 -2.046
58 1HE2 GLN 9 2HE2 GLN 9 4.009 5.592 -3.813
59 2HE2 GLN 9 1HE2 GLN 9 4.466 7.252 -3.668
60 HA PRO 10 HA PRO 10 7.339 7.014 4.615
61 1HB PRO 10 2HB PRO 10 5.089 5.793 5.488
62 2HB PRO 10 1HB PRO 10 5.266 7.551 5.386
63 1HG PRO 10 2HG PRO 10 3.758 5.707 3.639
64 2HG PRO 10 1HG PRO 10 3.453 7.409 4.020
65 1HD PRO 10 2HD PRO 10 4.617 6.425 1.669
66 2HD PRO 10 1HD PRO 10 4.617 8.114 2.214
67 H CYS 11 H CYS 11 8.612 5.360 5.126
68 HA CYS 11 HA CYS 11 7.909 2.641 4.201
69 1HB CYS 11 2HB CYS 11 10.244 2.172 3.923
70 2HB CYS 11 1HB CYS 11 9.875 3.647 3.039
71 HA PRO 12 HA PRO 12 8.084 1.634 8.517
72 1HB PRO 12 2HB PRO 12 8.080 -1.064 8.309
73 2HB PRO 12 1HB PRO 12 6.642 -0.066 8.039
74 1HG PRO 12 2HG PRO 12 8.390 -1.428 6.077
75 2HG PRO 12 1HG PRO 12 6.659 -1.061 5.989
76 1HD PRO 12 2HD PRO 12 8.691 0.357 4.707
77 2HD PRO 12 1HD PRO 12 7.031 0.927 4.968
78 H TYR 13 H TYR 13 10.143 -0.447 6.476
79 HA TYR 13 HA TYR 13 12.344 -0.062 8.415
80 1HB TYR 13 2HB TYR 13 12.258 -2.513 6.739
81 2HB TYR 13 1HB TYR 13 12.910 -2.279 8.354
82 HD1 TYR 13 HD2 TYR 13 10.884 -1.472 10.059
83 HD2 TYR 13 HD1 TYR 13 10.521 -3.985 6.629
84 HE1 TYR 13 HE2 TYR 13 8.842 -2.477 11.007
85 HE2 TYR 13 HE1 TYR 13 8.480 -4.986 7.579
86 HH TYR 13 HH TYR 13 6.971 -4.888 9.210
87 H ASN 14 H ASN 14 14.498 -0.277 7.458
88 HA ASN 14 HA ASN 14 14.753 1.227 5.054
89 1HB ASN 14 2HB ASN 14 16.947 -0.391 6.329
90 2HB ASN 14 1HB ASN 14 17.075 1.113 5.427
91 1HD2 ASN 14 2HD2 ASN 14 17.488 2.191 8.804
92 2HD2 ASN 14 1HD2 ASN 14 18.349 1.436 7.520
93 H GLU 15 H GLU 15 14.010 -1.982 5.563
94 HA GLU 15 HA GLU 15 15.402 -3.007 3.203
95 1HB GLU 15 2HB GLU 15 14.806 -4.143 5.612
96 2HB GLU 15 1HB GLU 15 13.486 -4.742 4.609
97 1HG GLU 15 2HG GLU 15 14.853 -6.223 3.635
98 2HG GLU 15 1HG GLU 15 15.957 -4.936 3.151
99 H ASN 16 H ASN 16 12.431 -1.599 4.030
100 HA ASN 16 HA ASN 16 11.027 -2.878 1.780
101 1HB ASN 16 2HB ASN 16 10.091 -2.544 4.235
102 2HB ASN 16 1HB ASN 16 9.675 -0.950 3.605
103 1HD2 ASN 16 2HD2 ASN 16 6.694 -2.447 2.530
104 2HD2 ASN 16 1HD2 ASN 16 7.456 -1.377 3.651
105 H CYS 17 H CYS 17 13.104 -0.529 1.937
106 HA CYS 17 HA CYS 17 11.547 1.565 0.605
107 1HB CYS 17 2HB CYS 17 13.945 1.488 2.179
108 2HB CYS 17 1HB CYS 17 14.289 2.215 0.617
109 H CYS 18 H CYS 18 11.962 2.263 -1.497
110 HA CYS 18 HA CYS 18 12.603 0.299 -3.401
111 1HB CYS 18 2HB CYS 18 12.396 3.299 -3.549
112 2HB CYS 18 1HB CYS 18 12.749 2.311 -4.955
113 H SER 19 H SER 19 14.453 2.876 -1.916
114 HA SER 19 HA SER 19 16.859 2.164 -3.395
115 1HB SER 19 2HB SER 19 17.700 4.216 -2.795
116 2HB SER 19 1HB SER 19 15.977 4.574 -2.774
117 HG SER 19 HG SER 19 17.104 5.260 -0.845
118 H GLN 20 H GLN 20 15.278 1.218 -0.625
119 HA GLN 20 HA GLN 20 15.905 -0.245 1.034
120 1HB GLN 20 2HB GLN 20 17.998 -0.474 -0.815
121 2HB GLN 20 1HB GLN 20 18.761 -0.219 0.752
122 1HG GLN 20 2HG GLN 20 18.370 -2.623 0.244
123 2HG GLN 20 1HG GLN 20 17.542 -2.084 1.706
124 1HE2 GLN 20 2HE2 GLN 20 15.463 -3.450 -1.483
125 2HE2 GLN 20 1HE2 GLN 20 17.186 -3.334 -1.467
126 H SER 21 H SER 21 16.580 2.907 0.755
127 HA SER 21 HA SER 21 17.927 3.086 3.377
128 1HB SER 21 2HB SER 21 18.001 4.767 0.923
129 2HB SER 21 1HB SER 21 18.150 5.573 2.477
130 HG SER 21 HG SER 21 20.161 4.751 1.409
131 H CYS 22 H CYS 22 16.606 3.534 5.007
132 HA CYS 22 HA CYS 22 14.179 5.137 4.496
133 1HB CYS 22 2HB CYS 22 14.760 2.836 6.298
134 2HB CYS 22 1HB CYS 22 13.588 4.032 6.821
135 H THR 23 H THR 23 13.754 6.882 5.813
136 HA THR 23 HA THR 23 15.703 7.536 7.924
137 HB THR 23 HB THR 23 16.561 8.804 6.163
138 HG1 THR 23 HG1 THR 23 16.429 10.426 7.498
139 1HG2 THR 23 2HG2 THR 23 13.715 9.436 5.370
140 2HG2 THR 23 1HG2 THR 23 15.154 10.107 4.599
141 3HG2 THR 23 3HG2 THR 23 14.835 8.372 4.515
142 H PHE 24 H PHE 24 14.856 9.670 9.050
143 HA PHE 24 HA PHE 24 11.952 9.341 9.500
144 1HB PHE 24 2HB PHE 24 14.187 9.296 11.317
145 2HB PHE 24 1HB PHE 24 13.094 10.608 11.727
146 HD1 PHE 24 HD1 PHE 24 10.577 9.996 11.883
147 HD2 PHE 24 HD2 PHE 24 13.749 7.145 12.044
148 HE1 PHE 24 HE1 PHE 24 9.074 8.388 12.992
149 HE2 PHE 24 HE2 PHE 24 12.247 5.536 13.153
150 HZ PHE 24 HZ PHE 24 9.910 6.158 13.627
151 H LYS 25 H LYS 25 10.803 11.040 8.851
152 HA LYS 25 HA LYS 25 12.058 13.716 8.915
153 1HB LYS 25 2HB LYS 25 11.263 12.406 6.663
154 2HB LYS 25 1HB LYS 25 9.804 13.308 7.066
155 1HG LYS 25 2HG LYS 25 12.462 14.693 7.091
156 2HG LYS 25 1HG LYS 25 11.645 14.403 5.558
157 1HD LYS 25 2HD LYS 25 10.201 16.076 5.925
158 2HD LYS 25 1HD LYS 25 9.812 15.466 7.532
159 1HE LYS 25 2HE LYS 25 10.717 17.635 7.860
160 2HE LYS 25 1HE LYS 25 11.989 16.507 8.318
161 1HZ LYS 25 3HZ LYS 25 12.209 17.055 5.578
162 2HZ LYS 25 2HZ LYS 25 12.085 18.533 6.406
163 3HZ LYS 25 1HZ LYS 25 13.304 17.424 6.819
164 H GLU 26 H GLU 26 10.689 15.469 9.471
165 HA GLU 26 HA GLU 26 8.555 14.711 11.286
166 1HB GLU 26 2HB GLU 26 10.365 16.367 11.878
167 2HB GLU 26 1HB GLU 26 9.608 17.477 10.739
168 1HG GLU 26 2HG GLU 26 7.474 17.240 12.027
169 2HG GLU 26 1HG GLU 26 8.354 16.283 13.219
170 H ASN 27 H ASN 27 6.439 15.215 11.052
171 HA ASN 27 HA ASN 27 5.564 16.095 8.405
172 1HB ASN 27 2HB ASN 27 3.429 15.444 10.251
173 2HB ASN 27 1HB ASN 27 3.830 14.712 8.704
174 1HD2 ASN 27 2HD2 ASN 27 4.327 12.534 11.890
175 2HD2 ASN 27 1HD2 ASN 27 3.197 13.814 11.635
176 H GLU 28 H GLU 28 3.183 17.208 8.833
177 HA GLU 28 HA GLU 28 3.860 19.757 10.054
178 1HB GLU 28 2HB GLU 28 2.757 19.400 7.732
179 2HB GLU 28 1HB GLU 28 1.278 19.161 8.657
180 1HG GLU 28 2HG GLU 28 2.863 21.532 9.417
181 2HG GLU 28 1HG GLU 28 2.161 21.584 7.800
182 H ASN 29 H ASN 29 2.143 16.912 10.769
183 HA ASN 29 HA ASN 29 0.126 17.995 12.474
184 1HB ASN 29 2HB ASN 29 0.347 15.628 11.364
185 2HB ASN 29 1HB ASN 29 1.237 15.241 12.837
186 1HD2 ASN 29 2HD2 ASN 29 -1.792 14.503 14.373
187 2HD2 ASN 29 1HD2 ASN 29 -0.216 13.989 13.889
188 H GLY 30 H GLY 30 3.476 17.654 12.778
189 1HA GLY 30 2HA GLY 30 4.714 18.590 14.560
190 2HA GLY 30 1HA GLY 30 3.331 18.324 15.617
191 H ASN 31 H ASN 31 4.042 15.718 13.562
192 HA ASN 31 HA ASN 31 5.355 14.265 15.778
193 1HB ASN 31 2HB ASN 31 3.230 13.521 13.831
194 2HB ASN 31 1HB ASN 31 4.382 12.273 14.299
195 1HD2 ASN 31 2HD2 ASN 31 1.999 11.727 16.865
196 2HD2 ASN 31 1HD2 ASN 31 2.502 11.245 15.285
197 H THR 32 H THR 32 6.304 12.089 14.551
198 HA THR 32 HA THR 32 7.835 12.956 12.205
199 HB THR 32 HB THR 32 9.038 13.292 14.522
200 HG1 THR 32 HG1 THR 32 10.220 13.701 12.766
201 1HG2 THR 32 3HG2 THR 32 8.636 10.948 15.263
202 2HG2 THR 32 2HG2 THR 32 9.671 10.395 13.944
203 3HG2 THR 32 1HG2 THR 32 10.344 11.392 15.235
204 H VAL 33 H VAL 33 7.789 11.440 10.700
205 HA VAL 33 HA VAL 33 7.331 8.636 11.516
206 HB VAL 33 HB VAL 33 6.591 9.590 8.798
207 1HG1 VAL 33 1HG1 VAL 33 6.096 7.315 10.517
208 2HG1 VAL 33 3HG1 VAL 33 4.591 7.992 9.892
209 3HG1 VAL 33 2HG1 VAL 33 5.860 7.484 8.775
210 1HG2 VAL 33 1HG2 VAL 33 5.408 10.607 11.281
211 2HG2 VAL 33 3HG2 VAL 33 5.279 11.218 9.631
212 3HG2 VAL 33 2HG2 VAL 33 4.235 9.900 10.168
213 H LYS 34 H LYS 34 7.857 7.330 9.230
214 HA LYS 34 HA LYS 34 10.648 8.083 8.616
215 1HB LYS 34 2HB LYS 34 9.355 5.493 9.275
216 2HB LYS 34 1HB LYS 34 10.620 5.469 8.049
217 1HG LYS 34 2HG LYS 34 12.244 6.280 9.541
218 2HG LYS 34 1HG LYS 34 11.032 6.859 10.681
219 1HD LYS 34 2HD LYS 34 10.803 4.829 11.666
220 2HD LYS 34 1HD LYS 34 10.942 3.963 10.138
221 1HE LYS 34 2HE LYS 34 13.358 5.296 11.301
222 2HE LYS 34 1HE LYS 34 12.825 3.749 11.953
223 1HZ LYS 34 1HZ LYS 34 12.840 2.947 9.582
224 2HZ LYS 34 3HZ LYS 34 13.675 4.369 9.188
225 3HZ LYS 34 2HZ LYS 34 14.361 3.256 10.274
226 H ARG 35 H ARG 35 11.105 8.458 6.541
227 HA ARG 35 HA ARG 35 9.164 7.605 4.484
228 1HB ARG 35 2HB ARG 35 10.844 10.094 4.720
229 2HB ARG 35 1HB ARG 35 10.132 9.585 3.190
230 1HG ARG 35 2HG ARG 35 7.981 10.013 3.888
231 2HG ARG 35 1HG ARG 35 8.361 9.728 5.585
232 1HD ARG 35 2HD ARG 35 9.737 11.876 5.483
233 2HD ARG 35 1HD ARG 35 8.962 12.176 3.928
234 HE ARG 35 HE ARG 35 6.990 11.601 5.874
235 1HH1 ARG 35 1HH2 ARG 35 9.264 14.045 4.883
236 2HH1 ARG 35 2HH2 ARG 35 8.350 15.356 5.552
237 1HH2 ARG 35 2HH1 ARG 35 5.786 13.323 6.783
238 2HH2 ARG 35 1HH1 ARG 35 6.373 14.945 6.632
239 H CYS 36 H CYS 36 10.594 8.053 2.230
240 HA CYS 36 HA CYS 36 12.837 6.154 2.500
241 1HB CYS 36 2HB CYS 36 10.686 5.721 1.055
242 2HB CYS 36 1HB CYS 36 11.515 6.738 -0.107
243 H ASP 37 HN ASP 37 14.802 6.905 2.178
244 HA ASP 37 HA ASP 37 15.587 9.472 1.753
245 1HB ASP 37 2HB ASP 37 16.850 6.828 1.253
246 2HB ASP 37 1HB ASP 37 17.643 8.249 0.575
No H/Q in entry = 246
Start of MODEL 13
1 1H SER 1 2H SER 1 1.002 -5.006 -6.398
2 2H SER 1 1H SER 1 -0.672 -4.758 -6.248
3 3H SER 1 3H SER 1 -0.063 -5.675 -7.539
4 HA SER 1 HA SER 1 0.401 -3.908 -8.773
5 1HB SER 1 2HB SER 1 -1.817 -3.374 -7.163
6 2HB SER 1 1HB SER 1 -0.866 -1.893 -7.123
7 HG SER 1 HG SER 1 -1.866 -1.596 -8.995
8 HA PRO 2 HA PRO 2 2.722 -0.807 -5.958
9 1HB PRO 2 2HB PRO 2 2.724 -1.209 -3.282
10 2HB PRO 2 1HB PRO 2 1.481 -0.270 -4.124
11 1HG PRO 2 2HG PRO 2 1.343 -3.006 -3.010
12 2HG PRO 2 1HG PRO 2 0.066 -1.793 -3.192
13 1HD PRO 2 2HD PRO 2 0.471 -4.001 -4.852
14 2HD PRO 2 1HD PRO 2 -0.526 -2.584 -5.230
15 H THR 3 H THR 3 4.775 -0.821 -4.637
16 HA THR 3 HA THR 3 5.984 -3.417 -4.145
17 HB THR 3 HB THR 3 6.225 -2.810 -6.635
18 HG1 THR 3 HG1 THR 3 7.595 -4.352 -6.185
19 1HG2 THR 3 3HG2 THR 3 6.974 -0.399 -5.831
20 2HG2 THR 3 2HG2 THR 3 8.564 -1.166 -5.805
21 3HG2 THR 3 1HG2 THR 3 7.628 -1.127 -7.300
22 H CYS 4 H CYS 4 8.681 -2.296 -4.279
23 HA CYS 4 HA CYS 4 9.118 -1.482 -1.713
24 1HB CYS 4 2HB CYS 4 11.226 -0.570 -2.465
25 2HB CYS 4 1HB CYS 4 10.885 -2.059 -3.329
26 H ILE 5 H ILE 5 9.414 0.522 -0.673
27 HA ILE 5 HA ILE 5 7.557 2.574 -1.513
28 HB ILE 5 HB ILE 5 9.461 2.376 0.815
29 1HG1 ILE 5 2HG1 ILE 5 6.856 2.383 1.745
30 2HG1 ILE 5 1HG1 ILE 5 6.766 1.400 0.285
31 1HG2 ILE 5 1HG2 ILE 5 8.438 4.711 -0.180
32 2HG2 ILE 5 3HG2 ILE 5 7.221 4.257 1.014
33 3HG2 ILE 5 2HG2 ILE 5 8.908 4.442 1.500
34 1HD1 ILE 5 2HD1 ILE 5 8.966 0.930 2.270
35 2HD1 ILE 5 1HD1 ILE 5 7.358 0.262 2.561
36 3HD1 ILE 5 3HD1 ILE 5 8.252 -0.193 1.109
37 HA PRO 6 HA PRO 6 10.896 4.541 -3.833
38 1HB PRO 6 2HB PRO 6 9.319 6.391 -5.035
39 2HB PRO 6 1HB PRO 6 9.487 4.724 -5.610
40 1HG PRO 6 2HG PRO 6 7.299 5.957 -4.004
41 2HG PRO 6 1HG PRO 6 7.201 4.767 -5.316
42 1HD PRO 6 2HD PRO 6 6.996 4.093 -2.688
43 2HD PRO 6 1HD PRO 6 7.646 2.997 -3.924
44 H SER 7 H SER 7 11.850 6.633 -3.832
45 HA SER 7 HA SER 7 12.061 7.901 -1.382
46 1HB SER 7 2HB SER 7 13.772 8.284 -2.952
47 2HB SER 7 1HB SER 7 12.637 8.841 -4.178
48 HG SER 7 HG SER 7 13.269 10.157 -1.723
49 H GLY 8 H GLY 8 10.803 9.236 -0.261
50 1HA GLY 8 2HA GLY 8 9.532 11.285 -0.113
51 2HA GLY 8 1HA GLY 8 8.835 10.914 -1.689
52 H GLN 9 H GLN 9 8.526 8.057 -0.857
53 HA GLN 9 HA GLN 9 5.925 8.349 0.424
54 1HB GLN 9 2HB GLN 9 7.067 6.593 -1.497
55 2HB GLN 9 1HB GLN 9 6.578 5.627 -0.108
56 1HG GLN 9 2HG GLN 9 4.507 5.681 -0.981
57 2HG GLN 9 1HG GLN 9 4.451 7.367 -0.463
58 1HE2 GLN 9 2HE2 GLN 9 4.870 6.395 -4.395
59 2HE2 GLN 9 1HE2 GLN 9 4.974 5.206 -3.145
60 HA PRO 10 HA PRO 10 7.230 6.863 4.360
61 1HB PRO 10 2HB PRO 10 4.995 5.622 5.244
62 2HB PRO 10 1HB PRO 10 5.146 7.381 5.116
63 1HG PRO 10 2HG PRO 10 3.694 5.480 3.372
64 2HG PRO 10 1HG PRO 10 3.328 7.170 3.758
65 1HD PRO 10 2HD PRO 10 4.508 6.263 1.402
66 2HD PRO 10 1HD PRO 10 4.517 7.938 1.988
67 H CYS 11 H CYS 11 8.485 5.223 4.963
68 HA CYS 11 HA CYS 11 7.876 2.501 3.980
69 1HB CYS 11 2HB CYS 11 10.244 2.070 3.898
70 2HB CYS 11 1HB CYS 11 9.898 3.519 2.965
71 HA PRO 12 HA PRO 12 7.772 1.385 8.264
72 1HB PRO 12 2HB PRO 12 7.937 -1.304 8.007
73 2HB PRO 12 1HB PRO 12 6.476 -0.379 7.630
74 1HG PRO 12 2HG PRO 12 8.457 -1.600 5.805
75 2HG PRO 12 1HG PRO 12 6.724 -1.321 5.571
76 1HD PRO 12 2HD PRO 12 8.787 0.229 4.504
77 2HD PRO 12 1HD PRO 12 7.081 0.703 4.619
78 H TYR 13 H TYR 13 10.171 -0.374 6.302
79 HA TYR 13 HA TYR 13 12.168 0.076 8.431
80 1HB TYR 13 2HB TYR 13 12.328 -2.423 6.834
81 2HB TYR 13 1HB TYR 13 12.844 -2.109 8.484
82 HD1 TYR 13 HD1 TYR 13 11.258 -2.255 10.331
83 HD2 TYR 13 HD2 TYR 13 10.083 -3.095 6.317
84 HE1 TYR 13 HE1 TYR 13 9.205 -3.342 11.158
85 HE2 TYR 13 HE2 TYR 13 8.032 -4.180 7.146
86 HH TYR 13 HH TYR 13 7.567 -4.986 10.415
87 H ASN 14 H ASN 14 14.400 -0.093 7.628
88 HA ASN 14 HA ASN 14 14.756 1.359 5.202
89 1HB ASN 14 2HB ASN 14 16.927 -0.114 6.675
90 2HB ASN 14 1HB ASN 14 17.046 1.370 5.740
91 1HD2 ASN 14 2HD2 ASN 14 17.171 2.558 9.103
92 2HD2 ASN 14 1HD2 ASN 14 18.153 1.813 7.904
93 H GLU 15 H GLU 15 14.089 -1.851 5.744
94 HA GLU 15 HA GLU 15 15.684 -2.866 3.503
95 1HB GLU 15 2HB GLU 15 14.971 -3.955 5.939
96 2HB GLU 15 1HB GLU 15 13.857 -4.728 4.814
97 1HG GLU 15 2HG GLU 15 15.568 -5.746 3.612
98 2HG GLU 15 1HG GLU 15 16.770 -4.562 4.128
99 H ASN 16 H ASN 16 12.630 -1.567 4.101
100 HA ASN 16 HA ASN 16 11.417 -3.022 1.838
101 1HB ASN 16 2HB ASN 16 10.343 -2.747 4.244
102 2HB ASN 16 1HB ASN 16 9.827 -1.199 3.575
103 1HD2 ASN 16 2HD2 ASN 16 7.034 -2.949 2.386
104 2HD2 ASN 16 1HD2 ASN 16 7.651 -1.810 3.528
105 H CYS 17 H CYS 17 13.314 -0.568 1.972
106 HA CYS 17 HA CYS 17 11.638 1.392 0.566
107 1HB CYS 17 2HB CYS 17 13.940 1.553 2.266
108 2HB CYS 17 1HB CYS 17 14.314 2.274 0.708
109 H CYS 18 H CYS 18 12.108 2.103 -1.523
110 HA CYS 18 HA CYS 18 12.981 0.176 -3.362
111 1HB CYS 18 2HB CYS 18 12.638 3.162 -3.573
112 2HB CYS 18 1HB CYS 18 13.061 2.150 -4.941
113 H SER 19 H SER 19 14.597 2.890 -1.837
114 HA SER 19 HA SER 19 17.104 2.321 -3.198
115 1HB SER 19 2HB SER 19 17.801 4.412 -2.544
116 2HB SER 19 1HB SER 19 16.062 4.667 -2.612
117 HG SER 19 HG SER 19 15.991 4.767 -0.462
118 H GLN 20 H GLN 20 15.470 1.353 -0.433
119 HA GLN 20 HA GLN 20 16.101 -0.074 1.257
120 1HB GLN 20 2HB GLN 20 18.193 -0.330 -0.588
121 2HB GLN 20 1HB GLN 20 18.956 -0.045 0.972
122 1HG GLN 20 2HG GLN 20 18.531 -2.468 0.441
123 2HG GLN 20 1HG GLN 20 17.824 -1.913 1.959
124 1HE2 GLN 20 2HE2 GLN 20 15.478 -3.157 -1.114
125 2HE2 GLN 20 1HE2 GLN 20 17.194 -3.008 -1.264
126 H SER 21 H SER 21 16.694 3.067 0.977
127 HA SER 21 HA SER 21 18.039 3.281 3.599
128 1HB SER 21 2HB SER 21 18.193 4.913 1.113
129 2HB SER 21 1HB SER 21 18.335 5.740 2.657
130 HG SER 21 HG SER 21 19.824 3.442 2.538
131 H CYS 22 H CYS 22 16.436 3.475 5.074
132 HA CYS 22 HA CYS 22 14.136 5.205 4.468
133 1HB CYS 22 2HB CYS 22 14.640 2.983 6.392
134 2HB CYS 22 1HB CYS 22 13.428 4.190 6.788
135 H THR 23 H THR 23 13.661 6.998 5.679
136 HA THR 23 HA THR 23 15.551 7.750 7.816
137 HB THR 23 HB THR 23 16.375 9.085 6.135
138 HG1 THR 23 HG1 THR 23 15.976 10.782 7.299
139 1HG2 THR 23 1HG2 THR 23 13.556 9.247 5.079
140 2HG2 THR 23 3HG2 THR 23 14.884 10.221 4.447
141 3HG2 THR 23 2HG2 THR 23 14.949 8.462 4.331
142 H PHE 24 H PHE 24 14.639 9.824 8.933
143 HA PHE 24 HA PHE 24 11.740 9.436 9.376
144 1HB PHE 24 2HB PHE 24 13.949 9.326 11.194
145 2HB PHE 24 1HB PHE 24 12.920 10.685 11.620
146 HD1 PHE 24 HD2 PHE 24 10.333 10.128 11.641
147 HD2 PHE 24 HD1 PHE 24 13.462 7.253 12.058
148 HE1 PHE 24 HE2 PHE 24 8.765 8.581 12.744
149 HE2 PHE 24 HE1 PHE 24 11.894 5.708 13.165
150 HZ PHE 24 HZ PHE 24 9.544 6.371 13.507
151 H LYS 25 H LYS 25 10.651 11.110 8.566
152 HA LYS 25 HA LYS 25 11.891 13.786 8.599
153 1HB LYS 25 2HB LYS 25 11.114 12.767 6.410
154 2HB LYS 25 1HB LYS 25 9.469 12.930 7.021
155 1HG LYS 25 2HG LYS 25 9.554 15.260 6.997
156 2HG LYS 25 1HG LYS 25 11.315 15.294 7.025
157 1HD LYS 25 2HD LYS 25 10.539 13.910 4.675
158 2HD LYS 25 1HD LYS 25 9.556 15.369 4.768
159 1HE LYS 25 2HE LYS 25 12.567 15.310 5.027
160 2HE LYS 25 1HE LYS 25 11.701 15.697 3.543
161 1HZ LYS 25 1HZ LYS 25 11.375 17.181 6.090
162 2HZ LYS 25 3HZ LYS 25 12.419 17.656 4.843
163 3HZ LYS 25 2HZ LYS 25 10.743 17.600 4.571
164 H GLU 26 H GLU 26 10.592 15.595 9.225
165 HA GLU 26 HA GLU 26 8.647 14.905 11.291
166 1HB GLU 26 2HB GLU 26 10.748 16.472 11.546
167 2HB GLU 26 1HB GLU 26 9.653 17.677 10.875
168 1HG GLU 26 2HG GLU 26 8.873 17.970 12.959
169 2HG GLU 26 1HG GLU 26 8.139 16.372 12.820
170 H ASN 27 H ASN 27 6.569 15.607 11.271
171 HA ASN 27 HA ASN 27 5.592 16.780 8.765
172 1HB ASN 27 2HB ASN 27 3.492 16.037 10.577
173 2HB ASN 27 1HB ASN 27 3.864 15.385 8.986
174 1HD2 ASN 27 2HD2 ASN 27 4.269 12.982 12.012
175 2HD2 ASN 27 1HD2 ASN 27 3.175 14.305 11.828
176 H GLU 28 H GLU 28 3.341 17.988 9.394
177 HA GLU 28 HA GLU 28 4.205 20.303 10.923
178 1HB GLU 28 2HB GLU 28 3.156 20.534 8.665
179 2HB GLU 28 1HB GLU 28 1.657 19.916 9.354
180 1HG GLU 28 2HG GLU 28 2.769 22.086 10.944
181 2HG GLU 28 1HG GLU 28 2.461 22.577 9.278
182 H ASN 29 H ASN 29 2.273 17.519 11.270
183 HA ASN 29 HA ASN 29 0.374 18.477 13.165
184 1HB ASN 29 2HB ASN 29 0.404 16.277 11.758
185 2HB ASN 29 1HB ASN 29 1.334 15.640 13.115
186 1HD2 ASN 29 2HD2 ASN 29 -1.702 14.826 14.620
187 2HD2 ASN 29 1HD2 ASN 29 -0.205 14.288 13.944
188 H GLY 30 H GLY 30 3.701 17.904 13.342
189 1HA GLY 30 2HA GLY 30 5.038 18.504 15.187
190 2HA GLY 30 1HA GLY 30 3.653 18.231 16.239
191 H ASN 31 H ASN 31 4.196 15.849 13.856
192 HA ASN 31 HA ASN 31 5.379 14.044 15.877
193 1HB ASN 31 2HB ASN 31 3.212 13.682 13.863
194 2HB ASN 31 1HB ASN 31 4.252 12.309 14.221
195 1HD2 ASN 31 2HD2 ASN 31 1.688 11.808 16.660
196 2HD2 ASN 31 1HD2 ASN 31 2.105 11.489 15.013
197 H THR 32 H THR 32 6.238 11.996 14.498
198 HA THR 32 HA THR 32 7.754 12.945 12.175
199 HB THR 32 HB THR 32 9.038 13.147 14.425
200 HG1 THR 32 HG1 THR 32 10.177 13.428 12.589
201 1HG2 THR 32 1HG2 THR 32 8.499 10.912 15.272
202 2HG2 THR 32 3HG2 THR 32 9.310 10.185 13.883
203 3HG2 THR 32 2HG2 THR 32 10.242 11.108 15.064
204 H VAL 33 H VAL 33 7.768 11.492 10.593
205 HA VAL 33 HA VAL 33 7.130 8.681 11.255
206 HB VAL 33 HB VAL 33 6.511 9.782 8.566
207 1HG1 VAL 33 2HG1 VAL 33 5.744 7.525 10.267
208 2HG1 VAL 33 1HG1 VAL 33 4.393 8.275 9.414
209 3HG1 VAL 33 3HG1 VAL 33 5.778 7.662 8.507
210 1HG2 VAL 33 2HG2 VAL 33 5.068 10.519 11.090
211 2HG2 VAL 33 1HG2 VAL 33 5.484 11.531 9.705
212 3HG2 VAL 33 3HG2 VAL 33 4.179 10.351 9.575
213 H LYS 34 H LYS 34 7.726 7.324 9.128
214 HA LYS 34 HA LYS 34 10.509 8.069 8.469
215 1HB LYS 34 2HB LYS 34 9.232 5.509 9.241
216 2HB LYS 34 1HB LYS 34 10.469 5.429 7.989
217 1HG LYS 34 2HG LYS 34 12.112 6.372 9.413
218 2HG LYS 34 1HG LYS 34 10.904 6.891 10.584
219 1HD LYS 34 2HD LYS 34 10.797 4.853 11.571
220 2HD LYS 34 1HD LYS 34 10.943 3.994 10.040
221 1HE LYS 34 2HE LYS 34 13.190 3.814 10.212
222 2HE LYS 34 1HE LYS 34 13.370 5.436 10.875
223 1HZ LYS 34 2HZ LYS 34 12.049 3.678 12.690
224 2HZ LYS 34 1HZ LYS 34 13.579 3.085 12.248
225 3HZ LYS 34 3HZ LYS 34 13.435 4.633 12.925
226 H ARG 35 H ARG 35 10.889 8.504 6.407
227 HA ARG 35 HA ARG 35 9.012 7.496 4.359
228 1HB ARG 35 2HB ARG 35 10.540 10.077 4.583
229 2HB ARG 35 1HB ARG 35 9.925 9.503 3.036
230 1HG ARG 35 2HG ARG 35 7.702 9.722 3.689
231 2HG ARG 35 1HG ARG 35 8.095 9.651 5.404
232 1HD ARG 35 2HD ARG 35 9.016 11.878 5.350
233 2HD ARG 35 1HD ARG 35 8.874 11.942 3.595
234 HE ARG 35 HE ARG 35 6.345 11.465 4.828
235 1HH1 ARG 35 1HH2 ARG 35 8.689 13.876 3.939
236 2HH1 ARG 35 2HH2 ARG 35 7.562 15.188 4.000
237 1HH2 ARG 35 2HH1 ARG 35 4.860 13.203 4.991
238 2HH2 ARG 35 1HH1 ARG 35 5.385 14.806 4.599
239 H CYS 36 H CYS 36 10.423 7.971 2.101
240 HA CYS 36 HA CYS 36 12.757 6.197 2.421
241 1HB CYS 36 2HB CYS 36 10.635 5.664 0.940
242 2HB CYS 36 1HB CYS 36 11.477 6.670 -0.223
243 H ASP 37 HN ASP 37 14.695 6.745 1.598
244 HA ASP 37 HA ASP 37 15.274 9.504 1.186
245 1HB ASP 37 2HB ASP 37 16.806 6.957 1.274
246 2HB ASP 37 1HB ASP 37 17.561 8.329 0.463
No H/Q in entry = 246
Start of MODEL 14
1 1H SER 1 2H SER 1 9.916 -2.366 -10.369
2 2H SER 1 1H SER 1 9.289 -3.495 -11.473
3 3H SER 1 3H SER 1 8.504 -2.010 -11.244
4 HA SER 1 HA SER 1 7.311 -3.758 -10.123
5 1HB SER 1 2HB SER 1 9.123 -5.304 -9.712
6 2HB SER 1 1HB SER 1 9.932 -4.141 -8.668
7 HG SER 1 HG SER 1 8.688 -5.734 -7.503
8 HA PRO 2 HA PRO 2 6.880 -0.029 -7.607
9 1HB PRO 2 2HB PRO 2 4.194 0.151 -7.859
10 2HB PRO 2 1HB PRO 2 5.327 0.741 -9.084
11 1HG PRO 2 2HG PRO 2 3.600 -1.643 -9.121
12 2HG PRO 2 1HG PRO 2 4.261 -0.704 -10.468
13 1HD PRO 2 2HD PRO 2 5.213 -3.182 -9.490
14 2HD PRO 2 1HD PRO 2 5.988 -2.139 -10.698
15 H THR 3 H THR 3 7.384 -2.298 -6.210
16 HA THR 3 HA THR 3 5.087 -2.691 -4.409
17 HB THR 3 HB THR 3 6.389 -4.623 -5.568
18 HG1 THR 3 HG1 THR 3 5.064 -5.457 -4.161
19 1HG2 THR 3 1HG2 THR 3 8.205 -4.023 -3.230
20 2HG2 THR 3 3HG2 THR 3 8.261 -5.482 -4.221
21 3HG2 THR 3 2HG2 THR 3 8.634 -3.913 -4.939
22 H CYS 4 H CYS 4 8.585 -2.128 -4.387
23 HA CYS 4 HA CYS 4 8.793 -1.627 -1.603
24 1HB CYS 4 2HB CYS 4 10.995 -0.725 -2.155
25 2HB CYS 4 1HB CYS 4 10.716 -2.258 -2.962
26 H ILE 5 H ILE 5 9.298 0.438 -0.609
27 HA ILE 5 HA ILE 5 7.476 2.512 -1.469
28 HB ILE 5 HB ILE 5 9.437 2.361 0.815
29 1HG1 ILE 5 2HG1 ILE 5 6.859 2.385 1.818
30 2HG1 ILE 5 1HG1 ILE 5 6.732 1.362 0.390
31 1HG2 ILE 5 2HG2 ILE 5 8.533 4.675 -0.169
32 2HG2 ILE 5 1HG2 ILE 5 7.160 4.261 0.860
33 3HG2 ILE 5 3HG2 ILE 5 8.774 4.406 1.559
34 1HD1 ILE 5 2HD1 ILE 5 9.002 0.945 2.299
35 2HD1 ILE 5 1HD1 ILE 5 7.404 0.312 2.698
36 3HD1 ILE 5 3HD1 ILE 5 8.219 -0.214 1.223
37 HA PRO 6 HA PRO 6 10.821 4.330 -3.904
38 1HB PRO 6 2HB PRO 6 9.261 6.169 -5.149
39 2HB PRO 6 1HB PRO 6 9.389 4.481 -5.669
40 1HG PRO 6 2HG PRO 6 7.249 5.810 -4.078
41 2HG PRO 6 1HG PRO 6 7.110 4.579 -5.346
42 1HD PRO 6 2HD PRO 6 6.929 4.005 -2.690
43 2HD PRO 6 1HD PRO 6 7.533 2.850 -3.897
44 H SER 7 H SER 7 11.785 6.445 -4.002
45 HA SER 7 HA SER 7 12.071 7.754 -1.582
46 1HB SER 7 2HB SER 7 13.737 8.106 -3.207
47 2HB SER 7 1HB SER 7 12.569 8.642 -4.410
48 HG SER 7 HG SER 7 13.954 10.210 -2.952
49 H GLY 8 H GLY 8 10.930 9.213 -0.472
50 1HA GLY 8 2HA GLY 8 9.629 11.203 -0.273
51 2HA GLY 8 1HA GLY 8 8.939 10.879 -1.862
52 H GLN 9 H GLN 9 8.646 7.984 -0.979
53 HA GLN 9 HA GLN 9 5.992 8.289 0.188
54 1HB GLN 9 2HB GLN 9 7.399 6.278 -1.424
55 2HB GLN 9 1HB GLN 9 6.360 5.602 -0.171
56 1HG GLN 9 2HG GLN 9 4.883 5.810 -1.952
57 2HG GLN 9 1HG GLN 9 4.608 7.321 -1.083
58 1HE2 GLN 9 2HE2 GLN 9 4.991 8.283 -4.583
59 2HE2 GLN 9 1HE2 GLN 9 3.862 7.441 -3.581
60 HA PRO 10 HA PRO 10 7.173 6.971 4.221
61 1HB PRO 10 2HB PRO 10 4.909 5.763 5.082
62 2HB PRO 10 1HB PRO 10 5.068 7.517 4.891
63 1HG PRO 10 2HG PRO 10 3.669 5.551 3.175
64 2HG PRO 10 1HG PRO 10 3.292 7.253 3.486
65 1HD PRO 10 2HD PRO 10 4.542 6.262 1.203
66 2HD PRO 10 1HD PRO 10 4.539 7.957 1.729
67 H CYS 11 H CYS 11 8.423 5.358 4.907
68 HA CYS 11 HA CYS 11 7.825 2.597 4.030
69 1HB CYS 11 2HB CYS 11 10.169 2.148 3.951
70 2HB CYS 11 1HB CYS 11 9.882 3.617 3.029
71 HA PRO 12 HA PRO 12 7.618 1.681 8.355
72 1HB PRO 12 2HB PRO 12 7.755 -1.019 8.222
73 2HB PRO 12 1HB PRO 12 6.313 -0.094 7.778
74 1HG PRO 12 2HG PRO 12 8.314 -1.416 6.044
75 2HG PRO 12 1HG PRO 12 6.588 -1.134 5.768
76 1HD PRO 12 2HD PRO 12 8.674 0.348 4.662
77 2HD PRO 12 1HD PRO 12 6.972 0.848 4.741
78 H TYR 13 H TYR 13 10.113 0.041 6.438
79 HA TYR 13 HA TYR 13 12.068 0.544 8.566
80 1HB TYR 13 2HB TYR 13 12.160 -2.135 7.283
81 2HB TYR 13 1HB TYR 13 12.700 -1.634 8.880
82 HD1 TYR 13 HD2 TYR 13 10.984 -1.247 10.676
83 HD2 TYR 13 HD1 TYR 13 10.034 -3.062 6.933
84 HE1 TYR 13 HE2 TYR 13 8.909 -2.161 11.644
85 HE2 TYR 13 HE1 TYR 13 7.962 -3.976 7.904
86 HH TYR 13 HH TYR 13 7.365 -4.402 10.905
87 H ASN 14 H ASN 14 14.300 0.193 7.789
88 HA ASN 14 HA ASN 14 14.702 1.380 5.232
89 1HB ASN 14 2HB ASN 14 16.820 -0.064 6.805
90 2HB ASN 14 1HB ASN 14 16.993 1.329 5.748
91 1HD2 ASN 14 2HD2 ASN 14 17.246 2.786 8.993
92 2HD2 ASN 14 1HD2 ASN 14 18.165 1.901 7.839
93 H GLU 15 H GLU 15 13.956 -1.750 6.140
94 HA GLU 15 HA GLU 15 15.442 -3.050 3.981
95 1HB GLU 15 2HB GLU 15 14.621 -3.850 6.521
96 2HB GLU 15 1HB GLU 15 13.559 -4.721 5.419
97 1HG GLU 15 2HG GLU 15 15.529 -6.065 5.824
98 2HG GLU 15 1HG GLU 15 15.581 -5.480 4.160
99 H ASN 16 H ASN 16 12.799 -1.237 4.015
100 HA ASN 16 HA ASN 16 11.421 -2.906 2.006
101 1HB ASN 16 2HB ASN 16 10.275 -2.589 4.330
102 2HB ASN 16 1HB ASN 16 9.901 -0.977 3.719
103 1HD2 ASN 16 2HD2 ASN 16 6.991 -2.643 2.577
104 2HD2 ASN 16 1HD2 ASN 16 7.667 -1.746 3.887
105 H CYS 17 H CYS 17 13.340 -0.408 2.226
106 HA CYS 17 HA CYS 17 11.798 1.554 0.713
107 1HB CYS 17 2HB CYS 17 14.130 1.602 2.364
108 2HB CYS 17 1HB CYS 17 14.551 2.217 0.775
109 H CYS 18 H CYS 18 12.169 2.098 -1.420
110 HA CYS 18 HA CYS 18 12.984 0.058 -3.184
111 1HB CYS 18 2HB CYS 18 12.524 3.014 -3.537
112 2HB CYS 18 1HB CYS 18 12.967 1.964 -4.871
113 H SER 19 H SER 19 14.583 2.864 -1.842
114 HA SER 19 HA SER 19 17.053 2.343 -3.284
115 1HB SER 19 2HB SER 19 17.699 4.467 -2.692
116 2HB SER 19 1HB SER 19 15.950 4.662 -2.679
117 HG SER 19 HG SER 19 15.971 4.476 -0.450
118 H GLN 20 H GLN 20 15.572 1.294 -0.486
119 HA GLN 20 HA GLN 20 16.322 -0.075 1.201
120 1HB GLN 20 2HB GLN 20 19.104 0.394 0.128
121 2HB GLN 20 1HB GLN 20 18.581 -0.891 1.213
122 1HG GLN 20 2HG GLN 20 17.117 -0.706 -1.351
123 2HG GLN 20 1HG GLN 20 18.809 -1.195 -1.467
124 1HE2 GLN 20 2HE2 GLN 20 16.230 -3.533 0.721
125 2HE2 GLN 20 1HE2 GLN 20 16.004 -1.824 0.629
126 H SER 21 H SER 21 16.681 3.096 0.902
127 HA SER 21 HA SER 21 18.032 3.397 3.516
128 1HB SER 21 2HB SER 21 18.261 4.913 0.990
129 2HB SER 21 1HB SER 21 18.203 5.871 2.462
130 HG SER 21 HG SER 21 20.299 5.374 2.408
131 H CYS 22 H CYS 22 16.460 3.620 4.990
132 HA CYS 22 HA CYS 22 14.096 5.261 4.360
133 1HB CYS 22 2HB CYS 22 14.679 3.078 6.300
134 2HB CYS 22 1HB CYS 22 13.478 4.280 6.744
135 H THR 23 H THR 23 13.514 7.003 5.674
136 HA THR 23 HA THR 23 15.455 7.861 7.716
137 HB THR 23 HB THR 23 16.208 9.215 6.026
138 HG1 THR 23 HG1 THR 23 15.735 10.906 7.176
139 1HG2 THR 23 2HG2 THR 23 14.574 8.358 4.359
140 2HG2 THR 23 1HG2 THR 23 13.399 9.528 4.965
141 3HG2 THR 23 3HG2 THR 23 14.889 10.088 4.204
142 H PHE 24 H PHE 24 14.490 9.946 8.809
143 HA PHE 24 HA PHE 24 11.610 9.489 9.295
144 1HB PHE 24 2HB PHE 24 13.832 9.339 11.091
145 2HB PHE 24 1HB PHE 24 12.797 10.677 11.565
146 HD1 PHE 24 HD2 PHE 24 10.206 10.087 11.561
147 HD2 PHE 24 HD1 PHE 24 13.377 7.254 11.926
148 HE1 PHE 24 HE2 PHE 24 8.661 8.496 12.638
149 HE2 PHE 24 HE1 PHE 24 11.836 5.666 13.006
150 HZ PHE 24 HZ PHE 24 9.476 6.285 13.362
151 H LYS 25 H LYS 25 10.484 11.183 8.593
152 HA LYS 25 HA LYS 25 11.697 13.873 8.743
153 1HB LYS 25 2HB LYS 25 9.526 12.794 6.940
154 2HB LYS 25 1HB LYS 25 10.032 14.481 6.995
155 1HG LYS 25 2HG LYS 25 12.372 13.680 6.470
156 2HG LYS 25 1HG LYS 25 11.676 12.090 6.165
157 1HD LYS 25 2HD LYS 25 10.563 12.794 4.262
158 2HD LYS 25 1HD LYS 25 10.509 14.474 4.788
159 1HE LYS 25 2HE LYS 25 12.247 14.834 3.419
160 2HE LYS 25 1HE LYS 25 13.224 13.933 4.575
161 1HZ LYS 25 2HZ LYS 25 11.691 12.529 2.484
162 2HZ LYS 25 1HZ LYS 25 13.211 13.203 2.134
163 3HZ LYS 25 3HZ LYS 25 13.069 12.009 3.331
164 H GLU 26 H GLU 26 10.431 15.598 9.525
165 HA GLU 26 HA GLU 26 8.370 14.763 11.411
166 1HB GLU 26 2HB GLU 26 10.401 16.220 12.014
167 2HB GLU 26 1HB GLU 26 9.527 17.522 11.209
168 1HG GLU 26 2HG GLU 26 8.681 17.839 13.302
169 2HG GLU 26 1HG GLU 26 7.560 16.577 12.788
170 H ASN 27 H ASN 27 6.316 15.576 11.438
171 HA ASN 27 HA ASN 27 5.411 16.889 8.974
172 1HB ASN 27 2HB ASN 27 3.254 16.080 10.684
173 2HB ASN 27 1HB ASN 27 3.664 15.503 9.074
174 1HD2 ASN 27 2HD2 ASN 27 3.952 12.954 11.999
175 2HD2 ASN 27 1HD2 ASN 27 2.890 14.310 11.859
176 H GLU 28 H GLU 28 3.123 18.047 9.693
177 HA GLU 28 HA GLU 28 4.008 20.285 11.322
178 1HB GLU 28 2HB GLU 28 2.902 20.557 9.058
179 2HB GLU 28 1HB GLU 28 1.407 20.023 9.824
180 1HG GLU 28 2HG GLU 28 1.291 22.366 9.942
181 2HG GLU 28 1HG GLU 28 1.859 21.896 11.545
182 H ASN 29 H ASN 29 1.965 17.529 11.488
183 HA ASN 29 HA ASN 29 0.105 18.373 13.437
184 1HB ASN 29 2HB ASN 29 -0.003 16.276 12.021
185 2HB ASN 29 1HB ASN 29 1.181 15.573 13.125
186 1HD2 ASN 29 2HD2 ASN 29 -1.576 14.411 14.942
187 2HD2 ASN 29 1HD2 ASN 29 -0.250 14.020 13.905
188 H GLY 30 H GLY 30 3.443 17.682 13.611
189 1HA GLY 30 2HA GLY 30 4.759 18.317 15.487
190 2HA GLY 30 1HA GLY 30 3.373 17.985 16.521
191 H ASN 31 H ASN 31 3.974 15.686 14.067
192 HA ASN 31 HA ASN 31 5.254 13.871 16.020
193 1HB ASN 31 2HB ASN 31 2.949 13.496 14.181
194 2HB ASN 31 1HB ASN 31 4.050 12.139 14.391
195 1HD2 ASN 31 2HD2 ASN 31 2.820 11.270 17.512
196 2HD2 ASN 31 1HD2 ASN 31 3.777 10.886 16.126
197 H THR 32 H THR 32 6.043 11.834 14.539
198 HA THR 32 HA THR 32 7.404 12.874 12.158
199 HB THR 32 HB THR 32 8.821 13.059 14.309
200 HG1 THR 32 HG1 THR 32 10.090 13.340 12.652
201 1HG2 THR 32 3HG2 THR 32 9.003 10.094 13.760
202 2HG2 THR 32 2HG2 THR 32 10.107 10.993 14.804
203 3HG2 THR 32 1HG2 THR 32 8.398 10.862 15.229
204 H VAL 33 H VAL 33 7.566 11.442 10.552
205 HA VAL 33 HA VAL 33 6.940 8.610 11.120
206 HB VAL 33 HB VAL 33 6.328 9.774 8.457
207 1HG1 VAL 33 2HG1 VAL 33 5.584 7.461 10.087
208 2HG1 VAL 33 1HG1 VAL 33 4.220 8.218 9.262
209 3HG1 VAL 33 3HG1 VAL 33 5.609 7.652 8.333
210 1HG2 VAL 33 3HG2 VAL 33 4.795 10.382 10.972
211 2HG2 VAL 33 2HG2 VAL 33 5.303 11.487 9.693
212 3HG2 VAL 33 1HG2 VAL 33 3.998 10.336 9.398
213 H LYS 34 H LYS 34 7.587 7.341 8.938
214 HA LYS 34 HA LYS 34 10.364 8.160 8.332
215 1HB LYS 34 2HB LYS 34 9.132 5.555 9.030
216 2HB LYS 34 1HB LYS 34 10.386 5.533 7.793
217 1HG LYS 34 2HG LYS 34 11.999 6.440 9.259
218 2HG LYS 34 1HG LYS 34 10.774 6.952 10.417
219 1HD LYS 34 2HD LYS 34 10.635 4.898 11.376
220 2HD LYS 34 1HD LYS 34 10.827 4.058 9.840
221 1HE LYS 34 2HE LYS 34 13.072 5.415 11.341
222 2HE LYS 34 1HE LYS 34 12.723 3.691 11.413
223 1HZ LYS 34 2HZ LYS 34 12.847 4.068 8.785
224 2HZ LYS 34 1HZ LYS 34 13.952 5.251 9.301
225 3HZ LYS 34 3HZ LYS 34 14.186 3.627 9.732
226 H ARG 35 H ARG 35 10.933 8.350 6.236
227 HA ARG 35 HA ARG 35 9.010 7.461 4.176
228 1HB ARG 35 2HB ARG 35 10.494 10.040 4.499
229 2HB ARG 35 1HB ARG 35 10.093 9.467 2.883
230 1HG ARG 35 2HG ARG 35 7.873 9.861 3.153
231 2HG ARG 35 1HG ARG 35 7.889 9.372 4.846
232 1HD ARG 35 2HD ARG 35 9.165 11.576 5.263
233 2HD ARG 35 1HD ARG 35 8.612 12.039 3.654
234 HE ARG 35 HE ARG 35 6.409 11.110 5.154
235 1HH1 ARG 35 1HH2 ARG 35 8.669 13.753 4.978
236 2HH1 ARG 35 2HH2 ARG 35 7.573 14.910 5.655
237 1HH2 ARG 35 2HH1 ARG 35 4.953 12.630 6.052
238 2HH2 ARG 35 1HH1 ARG 35 5.461 14.272 6.266
239 H CYS 36 H CYS 36 10.462 7.914 1.934
240 HA CYS 36 HA CYS 36 12.779 6.116 2.279
241 1HB CYS 36 2HB CYS 36 10.646 5.573 0.807
242 2HB CYS 36 1HB CYS 36 11.498 6.550 -0.371
243 H ASP 37 HN ASP 37 14.677 6.541 1.127
244 HA ASP 37 HA ASP 37 15.228 9.356 0.736
245 1HB ASP 37 2HB ASP 37 16.828 6.846 0.900
246 2HB ASP 37 1HB ASP 37 17.542 8.235 0.080
No H/Q in entry = 246
Start of MODEL 15
1 1H SER 1 2H SER 1 0.254 -0.750 -0.069
2 2H SER 1 1H SER 1 1.794 -1.032 0.590
3 3H SER 1 3H SER 1 1.116 0.522 0.657
4 HA SER 1 HA SER 1 1.213 0.729 -1.721
5 1HB SER 1 2HB SER 1 3.775 -0.095 -0.365
6 2HB SER 1 1HB SER 1 3.730 0.558 -1.999
7 HG SER 1 HG SER 1 3.158 1.804 0.460
8 HA PRO 2 HA PRO 2 1.303 -2.927 -4.171
9 1HB PRO 2 2HB PRO 2 2.278 -1.984 -6.512
10 2HB PRO 2 1HB PRO 2 0.647 -1.623 -5.924
11 1HG PRO 2 2HG PRO 2 3.058 0.092 -5.964
12 2HG PRO 2 1HG PRO 2 1.350 0.538 -6.093
13 1HD PRO 2 2HD PRO 2 2.926 0.782 -3.806
14 2HD PRO 2 1HD PRO 2 1.153 0.825 -3.855
15 H THR 3 H THR 3 4.261 -1.028 -4.067
16 HA THR 3 HA THR 3 5.841 -3.500 -4.027
17 HB THR 3 HB THR 3 5.711 -2.429 -6.367
18 HG1 THR 3 HG1 THR 3 7.301 -3.827 -6.308
19 1HG2 THR 3 2HG2 THR 3 6.358 -0.137 -5.047
20 2HG2 THR 3 1HG2 THR 3 7.941 -0.664 -5.627
21 3HG2 THR 3 3HG2 THR 3 6.622 -0.408 -6.771
22 H CYS 4 H CYS 4 8.330 -1.982 -4.171
23 HA CYS 4 HA CYS 4 8.700 -1.412 -1.443
24 1HB CYS 4 2HB CYS 4 10.868 -0.498 -2.149
25 2HB CYS 4 1HB CYS 4 10.541 -2.060 -2.880
26 H ILE 5 H ILE 5 9.275 0.643 -0.475
27 HA ILE 5 HA ILE 5 7.425 2.735 -1.220
28 HB ILE 5 HB ILE 5 9.502 2.515 0.952
29 1HG1 ILE 5 2HG1 ILE 5 6.965 2.694 2.065
30 2HG1 ILE 5 1HG1 ILE 5 6.740 1.654 0.662
31 1HG2 ILE 5 3HG2 ILE 5 8.460 4.870 -0.041
32 2HG2 ILE 5 2HG2 ILE 5 7.410 4.508 1.330
33 3HG2 ILE 5 1HG2 ILE 5 9.154 4.639 1.565
34 1HD1 ILE 5 1HD1 ILE 5 9.051 1.166 2.507
35 2HD1 ILE 5 3HD1 ILE 5 7.440 0.606 2.959
36 3HD1 ILE 5 2HD1 ILE 5 8.191 0.027 1.469
37 HA PRO 6 HA PRO 6 10.600 4.522 -3.874
38 1HB PRO 6 2HB PRO 6 8.995 6.401 -4.981
39 2HB PRO 6 1HB PRO 6 9.047 4.713 -5.519
40 1HG PRO 6 2HG PRO 6 7.059 6.077 -3.765
41 2HG PRO 6 1HG PRO 6 6.800 4.851 -5.020
42 1HD PRO 6 2HD PRO 6 6.815 4.275 -2.357
43 2HD PRO 6 1HD PRO 6 7.296 3.110 -3.609
44 H SER 7 H SER 7 11.671 6.511 -4.003
45 HA SER 7 HA SER 7 12.135 7.870 -1.639
46 1HB SER 7 2HB SER 7 13.384 9.445 -2.925
47 2HB SER 7 1HB SER 7 13.569 7.876 -3.702
48 HG SER 7 HG SER 7 13.067 9.608 -5.186
49 H GLY 8 H GLY 8 11.010 9.292 -0.501
50 1HA GLY 8 2HA GLY 8 9.825 11.341 -0.237
51 2HA GLY 8 1HA GLY 8 9.174 11.142 -1.862
52 H GLN 9 H GLN 9 9.072 8.205 -0.294
53 HA GLN 9 HA GLN 9 6.267 8.636 0.538
54 1HB GLN 9 2HB GLN 9 7.412 6.771 -1.301
55 2HB GLN 9 1HB GLN 9 6.754 5.885 0.072
56 1HG GLN 9 2HG GLN 9 4.831 6.043 -1.145
57 2HG GLN 9 1HG GLN 9 4.733 7.611 -0.345
58 1HE2 GLN 9 2HE2 GLN 9 5.850 9.425 -3.250
59 2HE2 GLN 9 1HE2 GLN 9 6.067 9.356 -1.537
60 HA PRO 10 HA PRO 10 7.384 7.154 4.530
61 1HB PRO 10 2HB PRO 10 5.066 6.039 5.369
62 2HB PRO 10 1HB PRO 10 5.308 7.786 5.218
63 1HG PRO 10 2HG PRO 10 3.809 5.933 3.465
64 2HG PRO 10 1HG PRO 10 3.522 7.645 3.809
65 1HD PRO 10 2HD PRO 10 4.720 6.628 1.506
66 2HD PRO 10 1HD PRO 10 4.793 8.313 2.057
67 H CYS 11 H CYS 11 8.616 5.481 5.081
68 HA CYS 11 HA CYS 11 7.843 2.764 4.207
69 1HB CYS 11 2HB CYS 11 10.171 2.210 4.058
70 2HB CYS 11 1HB CYS 11 9.897 3.678 3.129
71 HA PRO 12 HA PRO 12 7.786 1.768 8.518
72 1HB PRO 12 2HB PRO 12 7.867 -0.931 8.342
73 2HB PRO 12 1HB PRO 12 6.428 0.026 7.958
74 1HG PRO 12 2HG PRO 12 8.345 -1.308 6.142
75 2HG PRO 12 1HG PRO 12 6.617 -0.985 5.925
76 1HD PRO 12 2HD PRO 12 8.703 0.470 4.779
77 2HD PRO 12 1HD PRO 12 7.014 1.000 4.910
78 H TYR 13 H TYR 13 10.199 0.156 6.483
79 HA TYR 13 HA TYR 13 12.234 0.595 8.538
80 1HB TYR 13 2HB TYR 13 12.218 -2.096 7.277
81 2HB TYR 13 1HB TYR 13 12.832 -1.594 8.846
82 HD1 TYR 13 HD2 TYR 13 11.163 -1.091 10.686
83 HD2 TYR 13 HD1 TYR 13 10.097 -3.046 7.045
84 HE1 TYR 13 HE2 TYR 13 9.112 -1.954 11.746
85 HE2 TYR 13 HE1 TYR 13 8.048 -3.907 8.108
86 HH TYR 13 HH TYR 13 7.395 -4.410 10.712
87 H ASN 14 H ASN 14 14.427 0.189 7.680
88 HA ASN 14 HA ASN 14 14.759 1.349 5.104
89 1HB ASN 14 2HB ASN 14 16.905 -0.153 6.581
90 2HB ASN 14 1HB ASN 14 17.066 1.243 5.527
91 1HD2 ASN 14 2HD2 ASN 14 17.514 2.668 8.763
92 2HD2 ASN 14 1HD2 ASN 14 18.350 1.770 7.558
93 H GLU 15 H GLU 15 14.024 -1.772 6.103
94 HA GLU 15 HA GLU 15 15.355 -3.122 3.880
95 1HB GLU 15 2HB GLU 15 14.693 -3.883 6.455
96 2HB GLU 15 1HB GLU 15 13.489 -4.701 5.464
97 1HG GLU 15 2HG GLU 15 15.788 -5.135 4.034
98 2HG GLU 15 1HG GLU 15 16.376 -5.184 5.696
99 H ASN 16 H ASN 16 12.860 -1.202 3.865
100 HA ASN 16 HA ASN 16 11.358 -2.856 1.949
101 1HB ASN 16 2HB ASN 16 10.328 -2.563 4.370
102 2HB ASN 16 1HB ASN 16 9.826 -1.005 3.711
103 1HD2 ASN 16 2HD2 ASN 16 7.029 -2.510 2.316
104 2HD2 ASN 16 1HD2 ASN 16 7.715 -1.255 3.285
105 H CYS 17 H CYS 17 13.330 -0.548 1.879
106 HA CYS 17 HA CYS 17 11.653 1.488 0.568
107 1HB CYS 17 2HB CYS 17 14.011 1.598 2.189
108 2HB CYS 17 1HB CYS 17 14.360 2.288 0.611
109 H CYS 18 H CYS 18 11.976 2.092 -1.547
110 HA CYS 18 HA CYS 18 12.834 0.146 -3.382
111 1HB CYS 18 2HB CYS 18 12.381 3.114 -3.663
112 2HB CYS 18 1HB CYS 18 12.731 2.055 -5.017
113 H SER 19 H SER 19 14.383 2.968 -2.001
114 HA SER 19 HA SER 19 16.848 2.543 -3.475
115 1HB SER 19 2HB SER 19 17.524 4.633 -2.668
116 2HB SER 19 1HB SER 19 15.789 4.820 -2.901
117 HG SER 19 HG SER 19 16.406 5.590 -0.841
118 H GLN 20 H GLN 20 15.430 1.351 -0.708
119 HA GLN 20 HA GLN 20 16.218 -0.057 0.922
120 1HB GLN 20 2HB GLN 20 18.951 0.472 -0.252
121 2HB GLN 20 1HB GLN 20 18.540 -0.783 0.911
122 1HG GLN 20 2HG GLN 20 17.044 -0.662 -1.677
123 2HG GLN 20 1HG GLN 20 18.673 -1.339 -1.658
124 1HE2 GLN 20 2HE2 GLN 20 15.628 -3.239 0.325
125 2HE2 GLN 20 1HE2 GLN 20 15.519 -1.561 -0.072
126 H SER 21 H SER 21 16.581 3.135 0.720
127 HA SER 21 HA SER 21 17.965 3.343 3.325
128 1HB SER 21 2HB SER 21 17.948 5.885 2.259
129 2HB SER 21 1HB SER 21 19.307 4.770 2.250
130 HG SER 21 HG SER 21 18.975 5.323 0.134
131 H CYS 22 H CYS 22 16.650 3.766 4.955
132 HA CYS 22 HA CYS 22 14.171 5.301 4.457
133 1HB CYS 22 2HB CYS 22 14.800 2.964 6.185
134 2HB CYS 22 1HB CYS 22 13.623 4.125 6.772
135 H THR 23 H THR 23 13.773 7.070 5.717
136 HA THR 23 HA THR 23 15.701 7.701 7.863
137 HB THR 23 HB THR 23 16.495 9.133 6.259
138 HG1 THR 23 HG1 THR 23 16.062 10.845 7.380
139 1HG2 THR 23 3HG2 THR 23 14.808 8.391 4.562
140 2HG2 THR 23 2HG2 THR 23 13.712 9.621 5.199
141 3HG2 THR 23 1HG2 THR 23 15.243 10.099 4.460
142 H PHE 24 H PHE 24 14.800 9.766 9.066
143 HA PHE 24 HA PHE 24 11.903 9.386 9.515
144 1HB PHE 24 2HB PHE 24 14.051 8.950 11.315
145 2HB PHE 24 1HB PHE 24 13.197 10.388 11.853
146 HD1 PHE 24 HD2 PHE 24 10.501 10.070 11.650
147 HD2 PHE 24 HD1 PHE 24 13.378 6.974 12.251
148 HE1 PHE 24 HE2 PHE 24 8.759 8.646 12.657
149 HE2 PHE 24 HE1 PHE 24 11.636 5.553 13.262
150 HZ PHE 24 HZ PHE 24 9.326 6.388 13.464
151 H LYS 25 H LYS 25 10.886 11.165 8.847
152 HA LYS 25 HA LYS 25 12.162 13.790 9.330
153 1HB LYS 25 2HB LYS 25 10.276 12.981 7.109
154 2HB LYS 25 1HB LYS 25 10.915 14.603 7.367
155 1HG LYS 25 2HG LYS 25 13.124 13.930 6.855
156 2HG LYS 25 1HG LYS 25 12.722 12.221 7.004
157 1HD LYS 25 2HD LYS 25 11.872 12.102 4.902
158 2HD LYS 25 1HD LYS 25 11.182 13.721 4.978
159 1HE LYS 25 2HE LYS 25 12.927 13.743 3.330
160 2HE LYS 25 1HE LYS 25 13.499 14.641 4.731
161 1HZ LYS 25 1HZ LYS 25 14.107 11.773 4.340
162 2HZ LYS 25 3HZ LYS 25 15.091 13.000 3.703
163 3HZ LYS 25 2HZ LYS 25 14.868 12.879 5.382
164 H GLU 26 H GLU 26 10.701 15.545 9.828
165 HA GLU 26 HA GLU 26 8.499 14.654 11.492
166 1HB GLU 26 2HB GLU 26 10.361 16.465 11.990
167 2HB GLU 26 1HB GLU 26 9.205 17.525 11.189
168 1HG GLU 26 2HG GLU 26 7.571 17.188 12.824
169 2HG GLU 26 1HG GLU 26 8.295 15.676 13.372
170 H ASN 27 H ASN 27 6.396 15.508 11.357
171 HA ASN 27 HA ASN 27 5.619 16.341 8.642
172 1HB ASN 27 2HB ASN 27 3.311 15.666 10.075
173 2HB ASN 27 1HB ASN 27 4.101 14.709 8.827
174 1HD2 ASN 27 2HD2 ASN 27 3.904 13.270 12.491
175 2HD2 ASN 27 1HD2 ASN 27 2.896 14.499 11.814
176 H GLU 28 H GLU 28 3.161 17.352 9.099
177 HA GLU 28 HA GLU 28 3.769 19.895 10.367
178 1HB GLU 28 2HB GLU 28 2.744 19.682 8.052
179 2HB GLU 28 1HB GLU 28 1.267 19.167 8.861
180 1HG GLU 28 2HG GLU 28 2.186 21.520 10.169
181 2HG GLU 28 1HG GLU 28 2.226 21.823 8.431
182 H ASN 29 H ASN 29 1.487 17.227 10.591
183 HA ASN 29 HA ASN 29 -0.374 18.111 12.380
184 1HB ASN 29 2HB ASN 29 -0.573 15.895 11.560
185 2HB ASN 29 1HB ASN 29 1.009 15.439 12.193
186 1HD2 ASN 29 2HD2 ASN 29 -0.183 14.518 15.317
187 2HD2 ASN 29 1HD2 ASN 29 1.117 14.587 14.181
188 H GLY 30 H GLY 30 2.730 16.612 13.278
189 1HA GLY 30 2HA GLY 30 3.896 18.127 15.034
190 2HA GLY 30 1HA GLY 30 2.465 17.716 15.972
191 H ASN 31 H ASN 31 4.194 15.599 13.745
192 HA ASN 31 HA ASN 31 5.343 14.079 15.970
193 1HB ASN 31 2HB ASN 31 2.996 13.274 14.473
194 2HB ASN 31 1HB ASN 31 4.308 12.111 14.287
195 1HD2 ASN 31 2HD2 ASN 31 4.313 11.075 17.653
196 2HD2 ASN 31 1HD2 ASN 31 5.214 11.164 16.181
197 H THR 32 H THR 32 6.220 11.889 14.584
198 HA THR 32 HA THR 32 7.640 12.895 12.223
199 HB THR 32 HB THR 32 8.955 13.132 14.469
200 HG1 THR 32 HG1 THR 32 10.190 13.549 12.798
201 1HG2 THR 32 2HG2 THR 32 8.522 10.766 15.158
202 2HG2 THR 32 1HG2 THR 32 9.539 10.244 13.814
203 3HG2 THR 32 3HG2 THR 32 10.231 11.204 15.122
204 H VAL 33 H VAL 33 7.827 11.418 10.657
205 HA VAL 33 HA VAL 33 7.278 8.592 11.316
206 HB VAL 33 HB VAL 33 6.547 9.658 8.643
207 1HG1 VAL 33 3HG1 VAL 33 5.903 7.385 10.379
208 2HG1 VAL 33 2HG1 VAL 33 4.512 8.072 9.535
209 3HG1 VAL 33 1HG1 VAL 33 5.910 7.504 8.618
210 1HG2 VAL 33 1HG2 VAL 33 5.141 10.361 11.196
211 2HG2 VAL 33 3HG2 VAL 33 5.467 11.369 9.785
212 3HG2 VAL 33 2HG2 VAL 33 4.213 10.129 9.713
213 H LYS 34 H LYS 34 7.865 7.303 9.117
214 HA LYS 34 HA LYS 34 10.634 8.120 8.484
215 1HB LYS 34 2HB LYS 34 9.359 5.511 9.069
216 2HB LYS 34 1HB LYS 34 10.584 5.518 7.803
217 1HG LYS 34 2HG LYS 34 12.244 6.351 9.281
218 2HG LYS 34 1HG LYS 34 11.047 6.770 10.502
219 1HD LYS 34 2HD LYS 34 11.814 4.806 11.402
220 2HD LYS 34 1HD LYS 34 10.535 4.165 10.373
221 1HE LYS 34 2HE LYS 34 12.560 2.860 10.069
222 2HE LYS 34 1HE LYS 34 12.208 3.758 8.594
223 1HZ LYS 34 1HZ LYS 34 13.818 5.345 10.244
224 2HZ LYS 34 3HZ LYS 34 14.532 3.810 10.144
225 3HZ LYS 34 2HZ LYS 34 14.193 4.682 8.726
226 H ARG 35 H ARG 35 11.232 8.330 6.390
227 HA ARG 35 HA ARG 35 9.262 7.636 4.303
228 1HB ARG 35 2HB ARG 35 10.982 10.103 4.556
229 2HB ARG 35 1HB ARG 35 10.155 9.647 3.069
230 1HG ARG 35 2HG ARG 35 8.055 10.064 3.950
231 2HG ARG 35 1HG ARG 35 8.586 9.806 5.610
232 1HD ARG 35 2HD ARG 35 9.911 11.935 5.431
233 2HD ARG 35 1HD ARG 35 9.155 12.206 3.862
234 HE ARG 35 HE ARG 35 7.173 11.728 5.837
235 1HH1 ARG 35 1HH2 ARG 35 9.391 14.107 4.599
236 2HH1 ARG 35 2HH2 ARG 35 8.505 15.455 5.228
237 1HH2 ARG 35 2HH1 ARG 35 6.025 13.500 6.727
238 2HH2 ARG 35 1HH1 ARG 35 6.593 15.111 6.437
239 H CYS 36 H CYS 36 10.696 8.131 2.077
240 HA CYS 36 HA CYS 36 12.995 6.289 2.328
241 1HB CYS 36 2HB CYS 36 10.810 5.798 0.907
242 2HB CYS 36 1HB CYS 36 11.655 6.771 -0.280
243 H ASP 37 HN ASP 37 14.940 7.064 1.858
244 HA ASP 37 HA ASP 37 15.497 9.730 1.317
245 1HB ASP 37 2HB ASP 37 17.049 7.185 1.086
246 2HB ASP 37 1HB ASP 37 17.741 8.675 0.447
No H/Q in entry = 246
Start of MODEL 16
1 1H SER 1 2H SER 1 0.430 -5.199 -8.658
2 2H SER 1 1H SER 1 -1.077 -5.718 -8.069
3 3H SER 1 3H SER 1 -0.741 -4.060 -8.191
4 HA SER 1 HA SER 1 -0.588 -4.761 -5.909
5 1HB SER 1 2HB SER 1 1.098 -6.371 -5.214
6 2HB SER 1 1HB SER 1 -0.010 -7.117 -6.362
7 HG SER 1 HG SER 1 2.300 -5.879 -7.365
8 HA PRO 2 HA PRO 2 2.522 -1.656 -5.685
9 1HB PRO 2 2HB PRO 2 3.025 -1.636 -3.028
10 2HB PRO 2 1HB PRO 2 1.535 -0.999 -3.741
11 1HG PRO 2 2HG PRO 2 1.993 -3.526 -2.272
12 2HG PRO 2 1HG PRO 2 0.537 -2.523 -2.372
13 1HD PRO 2 2HD PRO 2 0.987 -4.894 -3.775
14 2HD PRO 2 1HD PRO 2 -0.260 -3.688 -4.143
15 H THR 3 H THR 3 4.750 -1.211 -4.867
16 HA THR 3 HA THR 3 6.369 -3.660 -4.564
17 HB THR 3 HB THR 3 6.337 -2.602 -6.914
18 HG1 THR 3 HG1 THR 3 7.959 -3.945 -6.807
19 1HG2 THR 3 1HG2 THR 3 6.906 -0.299 -5.545
20 2HG2 THR 3 3HG2 THR 3 8.501 -0.799 -6.112
21 3HG2 THR 3 2HG2 THR 3 7.191 -0.554 -7.268
22 H CYS 4 H CYS 4 8.832 -2.120 -4.577
23 HA CYS 4 HA CYS 4 9.093 -1.550 -1.854
24 1HB CYS 4 2HB CYS 4 11.238 -0.578 -2.444
25 2HB CYS 4 1HB CYS 4 10.979 -2.069 -3.332
26 H ILE 5 H ILE 5 9.409 0.459 -0.771
27 HA ILE 5 HA ILE 5 7.541 2.502 -1.599
28 HB ILE 5 HB ILE 5 9.429 2.306 0.740
29 1HG1 ILE 5 2HG1 ILE 5 6.685 2.252 1.475
30 2HG1 ILE 5 1HG1 ILE 5 6.911 1.095 0.165
31 1HG2 ILE 5 2HG2 ILE 5 8.359 4.624 -0.226
32 2HG2 ILE 5 1HG2 ILE 5 7.128 4.115 0.934
33 3HG2 ILE 5 3HG2 ILE 5 8.797 4.340 1.461
34 1HD1 ILE 5 2HD1 ILE 5 9.011 1.039 2.226
35 2HD1 ILE 5 1HD1 ILE 5 7.409 0.563 2.791
36 3HD1 ILE 5 3HD1 ILE 5 8.159 -0.294 1.443
37 HA PRO 6 HA PRO 6 10.844 4.585 -3.816
38 1HB PRO 6 2HB PRO 6 9.258 6.441 -4.990
39 2HB PRO 6 1HB PRO 6 9.449 4.787 -5.593
40 1HG PRO 6 2HG PRO 6 7.219 5.984 -4.037
41 2HG PRO 6 1HG PRO 6 7.173 4.754 -5.312
42 1HD PRO 6 2HD PRO 6 6.965 4.206 -2.624
43 2HD PRO 6 1HD PRO 6 7.523 3.039 -3.839
44 H SER 7 H SER 7 11.796 6.668 -3.770
45 HA SER 7 HA SER 7 11.999 7.880 -1.295
46 1HB SER 7 2HB SER 7 13.712 8.255 -2.888
47 2HB SER 7 1HB SER 7 12.579 8.923 -4.058
48 HG SER 7 HG SER 7 12.815 10.147 -1.534
49 H GLY 8 H GLY 8 10.731 9.167 -0.151
50 1HA GLY 8 2HA GLY 8 9.499 11.242 0.023
51 2HA GLY 8 1HA GLY 8 8.783 10.895 -1.549
52 H GLN 9 H GLN 9 8.452 8.027 -0.733
53 HA GLN 9 HA GLN 9 5.870 8.353 0.579
54 1HB GLN 9 2HB GLN 9 6.904 6.634 -1.398
55 2HB GLN 9 1HB GLN 9 6.552 5.622 0.000
56 1HG GLN 9 2HG GLN 9 4.372 5.698 -0.488
57 2HG GLN 9 1HG GLN 9 4.393 7.456 -0.333
58 1HE2 GLN 9 2HE2 GLN 9 4.682 5.695 -4.020
59 2HE2 GLN 9 1HE2 GLN 9 5.019 4.805 -2.580
60 HA PRO 10 HA PRO 10 7.186 6.847 4.501
61 1HB PRO 10 2HB PRO 10 4.979 5.553 5.380
62 2HB PRO 10 1HB PRO 10 5.095 7.315 5.268
63 1HG PRO 10 2HG PRO 10 3.686 5.402 3.500
64 2HG PRO 10 1HG PRO 10 3.273 7.073 3.916
65 1HD PRO 10 2HD PRO 10 4.458 6.256 1.540
66 2HD PRO 10 1HD PRO 10 4.457 7.913 2.174
67 H CYS 11 H CYS 11 8.406 5.208 5.186
68 HA CYS 11 HA CYS 11 7.857 2.481 4.192
69 1HB CYS 11 2HB CYS 11 10.221 2.091 4.012
70 2HB CYS 11 1HB CYS 11 9.821 3.534 3.092
71 HA PRO 12 HA PRO 12 7.910 1.497 8.514
72 1HB PRO 12 2HB PRO 12 7.848 -1.200 8.301
73 2HB PRO 12 1HB PRO 12 6.442 -0.166 8.004
74 1HG PRO 12 2HG PRO 12 8.177 -1.585 6.079
75 2HG PRO 12 1HG PRO 12 6.469 -1.138 5.947
76 1HD PRO 12 2HD PRO 12 8.622 0.190 4.742
77 2HD PRO 12 1HD PRO 12 6.967 0.807 4.906
78 H TYR 13 H TYR 13 10.191 -0.078 6.317
79 HA TYR 13 HA TYR 13 12.257 0.061 8.403
80 1HB TYR 13 2HB TYR 13 12.205 -2.379 6.708
81 2HB TYR 13 1HB TYR 13 12.822 -2.156 8.340
82 HD1 TYR 13 HD2 TYR 13 11.252 -2.128 10.259
83 HD2 TYR 13 HD1 TYR 13 9.972 -3.056 6.296
84 HE1 TYR 13 HE2 TYR 13 9.183 -3.122 11.157
85 HE2 TYR 13 HE1 TYR 13 7.906 -4.050 7.196
86 HH TYR 13 HH TYR 13 7.328 -4.250 10.687
87 H ASN 14 H ASN 14 14.424 -0.039 7.552
88 HA ASN 14 HA ASN 14 14.775 1.437 5.158
89 1HB ASN 14 2HB ASN 14 16.913 -0.186 6.521
90 2HB ASN 14 1HB ASN 14 17.087 1.305 5.606
91 1HD2 ASN 14 2HD2 ASN 14 17.376 2.450 8.965
92 2HD2 ASN 14 1HD2 ASN 14 18.280 1.690 7.714
93 H GLU 15 H GLU 15 14.139 -1.819 5.701
94 HA GLU 15 HA GLU 15 15.591 -2.841 3.396
95 1HB GLU 15 2HB GLU 15 14.659 -3.936 5.786
96 2HB GLU 15 1HB GLU 15 13.622 -4.632 4.542
97 1HG GLU 15 2HG GLU 15 15.286 -6.113 4.216
98 2HG GLU 15 1HG GLU 15 16.136 -4.794 3.409
99 H ASN 16 H ASN 16 12.417 -1.708 4.215
100 HA ASN 16 HA ASN 16 11.211 -2.865 1.820
101 1HB ASN 16 2HB ASN 16 10.146 -2.527 4.221
102 2HB ASN 16 1HB ASN 16 9.757 -0.937 3.565
103 1HD2 ASN 16 2HD2 ASN 16 6.834 -2.533 2.427
104 2HD2 ASN 16 1HD2 ASN 16 7.528 -1.512 3.635
105 H CYS 17 H CYS 17 13.275 -0.514 2.061
106 HA CYS 17 HA CYS 17 11.774 1.564 0.637
107 1HB CYS 17 2HB CYS 17 14.074 1.529 2.343
108 2HB CYS 17 1HB CYS 17 14.516 2.220 0.788
109 H CYS 18 H CYS 18 12.228 2.194 -1.452
110 HA CYS 18 HA CYS 18 13.046 0.221 -3.283
111 1HB CYS 18 2HB CYS 18 12.660 3.198 -3.504
112 2HB CYS 18 1HB CYS 18 13.151 2.217 -4.872
113 H SER 19 H SER 19 14.685 2.912 -1.760
114 HA SER 19 HA SER 19 17.183 2.359 -3.149
115 1HB SER 19 2HB SER 19 17.865 4.454 -2.508
116 2HB SER 19 1HB SER 19 16.122 4.700 -2.519
117 HG SER 19 HG SER 19 17.115 5.432 -0.555
118 H GLN 20 H GLN 20 15.579 1.236 -0.478
119 HA GLN 20 HA GLN 20 16.209 -0.151 1.231
120 1HB GLN 20 2HB GLN 20 18.996 0.191 0.113
121 2HB GLN 20 1HB GLN 20 18.517 -0.975 1.342
122 1HG GLN 20 2HG GLN 20 17.535 -0.862 -1.516
123 2HG GLN 20 1HG GLN 20 18.600 -2.081 -0.813
124 1HE2 GLN 20 1HE2 GLN 20 17.561 -2.885 1.413
125 2HE2 GLN 20 2HE2 GLN 20 15.934 -3.445 1.255
126 H SER 21 H SER 21 16.746 3.005 0.996
127 HA SER 21 HA SER 21 18.026 3.198 3.653
128 1HB SER 21 2HB SER 21 18.299 4.832 1.180
129 2HB SER 21 1HB SER 21 18.378 5.660 2.728
130 HG SER 21 HG SER 21 20.087 4.273 3.314
131 H CYS 22 H CYS 22 16.476 3.531 5.130
132 HA CYS 22 HA CYS 22 14.153 5.211 4.441
133 1HB CYS 22 2HB CYS 22 14.651 3.041 6.424
134 2HB CYS 22 1HB CYS 22 13.456 4.266 6.808
135 H THR 23 H THR 23 13.611 6.998 5.701
136 HA THR 23 HA THR 23 15.562 7.826 7.755
137 HB THR 23 HB THR 23 16.303 9.155 6.030
138 HG1 THR 23 HG1 THR 23 15.900 10.861 7.182
139 1HG2 THR 23 1HG2 THR 23 13.450 9.230 5.059
140 2HG2 THR 23 3HG2 THR 23 14.732 10.230 4.373
141 3HG2 THR 23 2HG2 THR 23 14.840 8.469 4.282
142 H PHE 24 H PHE 24 14.644 9.915 8.861
143 HA PHE 24 HA PHE 24 11.760 9.511 9.381
144 1HB PHE 24 2HB PHE 24 13.976 9.281 11.157
145 2HB PHE 24 1HB PHE 24 13.038 10.690 11.628
146 HD1 PHE 24 HD2 PHE 24 10.375 10.203 11.520
147 HD2 PHE 24 HD1 PHE 24 13.440 7.309 12.187
148 HE1 PHE 24 HE2 PHE 24 8.742 8.731 12.634
149 HE2 PHE 24 HE1 PHE 24 11.809 5.839 13.308
150 HZ PHE 24 HZ PHE 24 9.460 6.550 13.530
151 H LYS 25 H LYS 25 10.675 11.222 8.642
152 HA LYS 25 HA LYS 25 11.918 13.895 8.819
153 1HB LYS 25 2HB LYS 25 11.154 12.811 6.555
154 2HB LYS 25 1HB LYS 25 9.548 13.296 7.093
155 1HG LYS 25 2HG LYS 25 10.470 15.620 7.423
156 2HG LYS 25 1HG LYS 25 11.947 15.074 6.634
157 1HD LYS 25 2HD LYS 25 10.019 14.240 4.873
158 2HD LYS 25 1HD LYS 25 9.332 15.744 5.479
159 1HE LYS 25 2HE LYS 25 10.608 16.455 3.661
160 2HE LYS 25 1HE LYS 25 11.685 16.735 5.026
161 1HZ LYS 25 2HZ LYS 25 12.097 14.124 4.176
162 2HZ LYS 25 1HZ LYS 25 12.076 15.090 2.778
163 3HZ LYS 25 3HZ LYS 25 13.158 15.444 4.036
164 H GLU 26 H GLU 26 10.449 15.677 9.339
165 HA GLU 26 HA GLU 26 8.457 14.836 11.304
166 1HB GLU 26 2HB GLU 26 10.456 16.504 11.698
167 2HB GLU 26 1HB GLU 26 9.329 17.666 11.003
168 1HG GLU 26 2HG GLU 26 7.866 17.515 12.777
169 2HG GLU 26 1HG GLU 26 8.327 15.854 13.150
170 H ASN 27 H ASN 27 6.352 15.425 11.194
171 HA ASN 27 HA ASN 27 5.411 16.536 8.657
172 1HB ASN 27 2HB ASN 27 3.301 15.800 10.479
173 2HB ASN 27 1HB ASN 27 3.678 15.143 8.893
174 1HD2 ASN 27 2HD2 ASN 27 4.131 12.779 11.945
175 2HD2 ASN 27 1HD2 ASN 27 3.023 14.090 11.759
176 H GLU 28 H GLU 28 3.109 17.694 9.208
177 HA GLU 28 HA GLU 28 3.880 20.094 10.652
178 1HB GLU 28 2HB GLU 28 2.876 20.215 8.370
179 2HB GLU 28 1HB GLU 28 1.383 19.563 9.042
180 1HG GLU 28 2HG GLU 28 1.236 21.990 8.902
181 2HG GLU 28 1HG GLU 28 1.272 21.493 10.595
182 H ASN 29 H ASN 29 2.046 17.264 11.105
183 HA ASN 29 HA ASN 29 0.059 18.243 12.891
184 1HB ASN 29 2HB ASN 29 0.268 15.959 11.611
185 2HB ASN 29 1HB ASN 29 1.126 15.457 13.068
186 1HD2 ASN 29 2HD2 ASN 29 -1.925 14.676 14.535
187 2HD2 ASN 29 1HD2 ASN 29 -0.334 14.187 14.070
188 H GLY 30 H GLY 30 3.405 17.756 13.190
189 1HA GLY 30 2HA GLY 30 4.644 18.572 15.042
190 2HA GLY 30 1HA GLY 30 3.252 18.245 16.069
191 H ASN 31 H ASN 31 4.025 15.818 13.797
192 HA ASN 31 HA ASN 31 5.343 14.204 15.899
193 1HB ASN 31 2HB ASN 31 3.047 13.631 14.134
194 2HB ASN 31 1HB ASN 31 4.240 12.340 14.270
195 1HD2 ASN 31 2HD2 ASN 31 2.028 11.575 17.000
196 2HD2 ASN 31 1HD2 ASN 31 2.179 11.403 15.285
197 H THR 32 H THR 32 6.180 12.078 14.511
198 HA THR 32 HA THR 32 7.608 13.038 12.138
199 HB THR 32 HB THR 32 8.942 13.281 14.367
200 HG1 THR 32 HG1 THR 32 10.125 13.650 12.629
201 1HG2 THR 32 1HG2 THR 32 8.531 11.016 15.199
202 2HG2 THR 32 3HG2 THR 32 9.322 10.345 13.772
203 3HG2 THR 32 2HG2 THR 32 10.255 11.290 14.934
204 H VAL 33 H VAL 33 7.709 11.550 10.575
205 HA VAL 33 HA VAL 33 7.116 8.739 11.275
206 HB VAL 33 HB VAL 33 6.442 9.773 8.578
207 1HG1 VAL 33 1HG1 VAL 33 5.716 7.557 10.349
208 2HG1 VAL 33 3HG1 VAL 33 4.352 8.267 9.485
209 3HG1 VAL 33 2HG1 VAL 33 5.737 7.645 8.586
210 1HG2 VAL 33 3HG2 VAL 33 5.162 10.706 11.088
211 2HG2 VAL 33 2HG2 VAL 33 5.294 11.505 9.519
212 3HG2 VAL 33 1HG2 VAL 33 4.084 10.244 9.768
213 H LYS 34 H LYS 34 7.738 7.344 9.210
214 HA LYS 34 HA LYS 34 10.487 8.149 8.480
215 1HB LYS 34 2HB LYS 34 9.275 5.576 9.303
216 2HB LYS 34 1HB LYS 34 10.470 5.498 8.011
217 1HG LYS 34 2HG LYS 34 12.144 6.496 9.371
218 2HG LYS 34 1HG LYS 34 10.964 6.972 10.589
219 1HD LYS 34 2HD LYS 34 12.101 5.071 11.463
220 2HD LYS 34 1HD LYS 34 10.514 4.506 10.950
221 1HE LYS 34 2HE LYS 34 12.720 4.379 8.960
222 2HE LYS 34 1HE LYS 34 12.769 3.230 10.295
223 1HZ LYS 34 2HZ LYS 34 10.296 2.874 9.640
224 2HZ LYS 34 1HZ LYS 34 10.793 3.503 8.144
225 3HZ LYS 34 3HZ LYS 34 11.529 2.105 8.760
226 H ARG 35 H ARG 35 10.950 8.391 6.383
227 HA ARG 35 HA ARG 35 9.007 7.407 4.384
228 1HB ARG 35 2HB ARG 35 10.684 9.922 4.289
229 2HB ARG 35 1HB ARG 35 9.612 9.357 3.011
230 1HG ARG 35 2HG ARG 35 7.710 9.926 4.165
231 2HG ARG 35 1HG ARG 35 8.463 9.682 5.740
232 1HD ARG 35 2HD ARG 35 9.698 11.764 5.509
233 2HD ARG 35 1HD ARG 35 9.072 11.988 3.877
234 HE ARG 35 HE ARG 35 7.118 12.785 4.812
235 1HH1 ARG 35 1HH2 ARG 35 8.967 11.032 7.179
236 2HH1 ARG 35 2HH2 ARG 35 7.914 11.431 8.495
237 1HH2 ARG 35 2HH1 ARG 35 5.708 13.312 6.538
238 2HH2 ARG 35 1HH1 ARG 35 6.060 12.728 8.130
239 H CYS 36 H CYS 36 10.413 7.881 2.107
240 HA CYS 36 HA CYS 36 12.733 6.083 2.414
241 1HB CYS 36 2HB CYS 36 10.603 5.550 0.956
242 2HB CYS 36 1HB CYS 36 11.422 6.566 -0.215
243 H ASP 37 HN ASP 37 14.661 6.574 1.470
244 HA ASP 37 HA ASP 37 15.247 9.350 1.063
245 1HB ASP 37 2HB ASP 37 16.777 6.803 1.167
246 2HB ASP 37 1HB ASP 37 17.523 8.164 0.328
No H/Q in entry = 246
Start of MODEL 17
1 1H SER 1 2H SER 1 2.220 -2.147 -8.074
2 2H SER 1 1H SER 1 0.592 -1.947 -8.512
3 3H SER 1 3H SER 1 1.815 -1.278 -9.476
4 HA SER 1 HA SER 1 2.058 0.515 -8.206
5 1HB SER 1 2HB SER 1 -0.117 1.085 -8.253
6 2HB SER 1 1HB SER 1 -0.643 -0.545 -7.850
7 HG SER 1 HG SER 1 -1.120 0.424 -6.001
8 HA PRO 2 HA PRO 2 2.107 -0.980 -3.650
9 1HB PRO 2 2HB PRO 2 1.434 -3.544 -3.112
10 2HB PRO 2 1HB PRO 2 0.260 -2.219 -3.163
11 1HG PRO 2 2HG PRO 2 0.782 -4.355 -5.145
12 2HG PRO 2 1HG PRO 2 -0.729 -3.514 -4.758
13 1HD PRO 2 2HD PRO 2 0.893 -2.999 -6.963
14 2HD PRO 2 1HD PRO 2 -0.361 -1.918 -6.324
15 H THR 3 H THR 3 4.342 -0.786 -4.269
16 HA THR 3 HA THR 3 5.801 -3.338 -4.058
17 HB THR 3 HB THR 3 5.685 -2.335 -6.429
18 HG1 THR 3 HG1 THR 3 7.249 -3.732 -6.467
19 1HG2 THR 3 1HG2 THR 3 6.424 -0.030 -5.220
20 2HG2 THR 3 3HG2 THR 3 7.997 -0.644 -5.731
21 3HG2 THR 3 2HG2 THR 3 6.721 -0.386 -6.922
22 H CYS 4 H CYS 4 8.362 -1.988 -4.262
23 HA CYS 4 HA CYS 4 8.828 -1.360 -1.579
24 1HB CYS 4 2HB CYS 4 10.996 -0.549 -2.333
25 2HB CYS 4 1HB CYS 4 10.586 -2.059 -3.130
26 H ILE 5 H ILE 5 9.313 0.651 -0.573
27 HA ILE 5 HA ILE 5 7.562 2.797 -1.395
28 HB ILE 5 HB ILE 5 9.506 2.497 0.886
29 1HG1 ILE 5 2HG1 ILE 5 6.865 2.757 1.794
30 2HG1 ILE 5 1HG1 ILE 5 6.785 1.652 0.423
31 1HG2 ILE 5 2HG2 ILE 5 8.545 4.889 -0.145
32 2HG2 ILE 5 1HG2 ILE 5 7.468 4.540 1.209
33 3HG2 ILE 5 3HG2 ILE 5 9.211 4.632 1.471
34 1HD1 ILE 5 2HD1 ILE 5 8.985 1.200 2.363
35 2HD1 ILE 5 1HD1 ILE 5 7.350 0.835 2.919
36 3HD1 ILE 5 3HD1 ILE 5 7.993 0.034 1.486
37 HA PRO 6 HA PRO 6 10.948 4.548 -3.808
38 1HB PRO 6 2HB PRO 6 9.438 6.437 -5.037
39 2HB PRO 6 1HB PRO 6 9.523 4.750 -5.571
40 1HG PRO 6 2HG PRO 6 7.408 6.129 -3.995
41 2HG PRO 6 1HG PRO 6 7.251 4.885 -5.249
42 1HD PRO 6 2HD PRO 6 7.060 4.365 -2.571
43 2HD PRO 6 1HD PRO 6 7.587 3.169 -3.771
44 H SER 7 H SER 7 11.974 6.627 -3.882
45 HA SER 7 HA SER 7 12.250 7.914 -1.437
46 1HB SER 7 2HB SER 7 13.420 9.680 -2.692
47 2HB SER 7 1HB SER 7 13.919 8.068 -3.193
48 HG SER 7 HG SER 7 12.089 9.811 -4.512
49 H GLY 8 H GLY 8 10.874 9.130 -0.332
50 1HA GLY 8 2HA GLY 8 9.757 11.319 -0.253
51 2HA GLY 8 1HA GLY 8 9.035 10.919 -1.810
52 H GLN 9 H GLN 9 8.665 8.098 -0.854
53 HA GLN 9 HA GLN 9 6.074 8.505 0.414
54 1HB GLN 9 2HB GLN 9 7.158 6.653 -1.439
55 2HB GLN 9 1HB GLN 9 6.693 5.746 -0.003
56 1HG GLN 9 2HG GLN 9 4.588 5.798 -0.772
57 2HG GLN 9 1HG GLN 9 4.583 7.528 -0.427
58 1HE2 GLN 9 2HE2 GLN 9 5.013 6.164 -4.257
59 2HE2 GLN 9 1HE2 GLN 9 5.213 5.111 -2.901
60 HA PRO 10 HA PRO 10 7.344 7.132 4.403
61 1HB PRO 10 2HB PRO 10 5.096 5.944 5.325
62 2HB PRO 10 1HB PRO 10 5.262 7.695 5.127
63 1HG PRO 10 2HG PRO 10 3.785 5.744 3.470
64 2HG PRO 10 1HG PRO 10 3.457 7.459 3.760
65 1HD PRO 10 2HD PRO 10 4.644 6.375 1.471
66 2HD PRO 10 1HD PRO 10 4.636 8.088 1.936
67 H CYS 11 H CYS 11 8.547 5.496 5.128
68 HA CYS 11 HA CYS 11 7.898 2.735 4.294
69 1HB CYS 11 2HB CYS 11 10.231 2.262 4.068
70 2HB CYS 11 1HB CYS 11 9.883 3.701 3.121
71 HA PRO 12 HA PRO 12 8.014 1.966 8.658
72 1HB PRO 12 2HB PRO 12 7.938 -0.738 8.589
73 2HB PRO 12 1HB PRO 12 6.532 0.284 8.255
74 1HG PRO 12 2HG PRO 12 8.241 -1.238 6.385
75 2HG PRO 12 1HG PRO 12 6.531 -0.799 6.254
76 1HD PRO 12 2HD PRO 12 8.662 0.462 4.947
77 2HD PRO 12 1HD PRO 12 7.011 1.092 5.110
78 H TYR 13 H TYR 13 10.184 0.098 6.560
79 HA TYR 13 HA TYR 13 12.330 0.422 8.549
80 1HB TYR 13 2HB TYR 13 12.189 -2.151 7.069
81 2HB TYR 13 1HB TYR 13 12.861 -1.803 8.656
82 HD1 TYR 13 HD2 TYR 13 11.306 -1.493 10.597
83 HD2 TYR 13 HD1 TYR 13 9.983 -2.918 6.799
84 HE1 TYR 13 HE2 TYR 13 9.252 -2.372 11.640
85 HE2 TYR 13 HE1 TYR 13 7.932 -3.796 7.843
86 HH TYR 13 HH TYR 13 6.597 -3.557 9.763
87 H ASN 14 H ASN 14 14.478 0.101 7.615
88 HA ASN 14 HA ASN 14 14.763 1.421 5.111
89 1HB ASN 14 2HB ASN 14 16.927 -0.160 6.474
90 2HB ASN 14 1HB ASN 14 17.078 1.287 5.487
91 1HD2 ASN 14 2HD2 ASN 14 17.548 2.534 8.799
92 2HD2 ASN 14 1HD2 ASN 14 18.377 1.679 7.557
93 H GLU 15 H GLU 15 13.982 -1.740 5.864
94 HA GLU 15 HA GLU 15 15.348 -2.967 3.593
95 1HB GLU 15 2HB GLU 15 14.463 -3.873 6.093
96 2HB GLU 15 1HB GLU 15 13.412 -4.651 4.913
97 1HG GLU 15 2HG GLU 15 15.527 -5.290 3.649
98 2HG GLU 15 1HG GLU 15 16.424 -4.767 5.075
99 H ASN 16 H ASN 16 12.404 -1.416 4.263
100 HA ASN 16 HA ASN 16 11.023 -2.785 2.051
101 1HB ASN 16 2HB ASN 16 10.038 -2.335 4.468
102 2HB ASN 16 1HB ASN 16 9.659 -0.763 3.761
103 1HD2 ASN 16 2HD2 ASN 16 6.683 -2.256 2.672
104 2HD2 ASN 16 1HD2 ASN 16 7.436 -1.143 3.758
105 H CYS 17 H CYS 17 13.156 -0.539 2.045
106 HA CYS 17 HA CYS 17 11.647 1.545 0.626
107 1HB CYS 17 2HB CYS 17 14.030 1.502 2.231
108 2HB CYS 17 1HB CYS 17 14.393 2.158 0.642
109 H CYS 18 H CYS 18 12.127 2.144 -1.495
110 HA CYS 18 HA CYS 18 12.777 0.070 -3.289
111 1HB CYS 18 2HB CYS 18 12.573 3.059 -3.591
112 2HB CYS 18 1HB CYS 18 12.951 2.003 -4.939
113 H SER 19 H SER 19 14.597 2.713 -1.892
114 HA SER 19 HA SER 19 17.035 1.917 -3.280
115 1HB SER 19 2HB SER 19 17.885 4.002 -2.761
116 2HB SER 19 1HB SER 19 16.169 4.359 -2.906
117 HG SER 19 HG SER 19 17.243 5.177 -0.949
118 H GLN 20 H GLN 20 15.400 1.071 -0.544
119 HA GLN 20 HA GLN 20 15.983 -0.247 1.240
120 1HB GLN 20 2HB GLN 20 18.319 -0.367 -0.466
121 2HB GLN 20 1HB GLN 20 18.767 -0.413 1.238
122 1HG GLN 20 2HG GLN 20 18.397 -2.676 0.396
123 2HG GLN 20 1HG GLN 20 17.162 -2.261 1.588
124 1HE2 GLN 20 2HE2 GLN 20 14.727 -3.278 -0.670
125 2HE2 GLN 20 1HE2 GLN 20 15.448 -3.417 0.894
126 H SER 21 H SER 21 16.759 2.893 0.754
127 HA SER 21 HA SER 21 18.016 3.233 3.397
128 1HB SER 21 2HB SER 21 17.889 5.651 1.864
129 2HB SER 21 1HB SER 21 19.297 4.776 2.443
130 HG SER 21 HG SER 21 19.003 5.020 0.056
131 H CYS 22 H CYS 22 16.642 3.717 4.972
132 HA CYS 22 HA CYS 22 14.229 5.304 4.351
133 1HB CYS 22 2HB CYS 22 14.799 3.107 6.278
134 2HB CYS 22 1HB CYS 22 13.635 4.334 6.743
135 H THR 23 H THR 23 13.635 6.962 5.843
136 HA THR 23 HA THR 23 15.659 7.803 7.792
137 HB THR 23 HB THR 23 16.404 9.055 5.967
138 HG1 THR 23 HG1 THR 23 16.260 10.706 7.263
139 1HG2 THR 23 1HG2 THR 23 13.512 9.559 5.263
140 2HG2 THR 23 3HG2 THR 23 14.896 10.264 4.426
141 3HG2 THR 23 2HG2 THR 23 14.642 8.518 4.395
142 H PHE 24 H PHE 24 14.745 9.940 8.880
143 HA PHE 24 HA PHE 24 11.864 9.519 9.397
144 1HB PHE 24 2HB PHE 24 14.116 9.446 11.177
145 2HB PHE 24 1HB PHE 24 13.041 10.760 11.628
146 HD1 PHE 24 HD1 PHE 24 10.508 10.146 11.781
147 HD2 PHE 24 HD2 PHE 24 13.691 7.306 11.920
148 HE1 PHE 24 HE1 PHE 24 9.017 8.530 12.893
149 HE2 PHE 24 HE2 PHE 24 12.200 5.689 13.032
150 HZ PHE 24 HZ PHE 24 9.863 6.300 13.519
151 H LYS 25 H LYS 25 10.683 11.212 8.795
152 HA LYS 25 HA LYS 25 11.906 13.902 8.853
153 1HB LYS 25 2HB LYS 25 10.935 12.599 6.655
154 2HB LYS 25 1HB LYS 25 9.526 13.523 7.172
155 1HG LYS 25 2HG LYS 25 12.095 14.991 7.156
156 2HG LYS 25 1HG LYS 25 11.473 14.518 5.577
157 1HD LYS 25 2HD LYS 25 9.222 15.492 6.786
158 2HD LYS 25 1HD LYS 25 10.470 16.527 7.477
159 1HE LYS 25 2HE LYS 25 11.266 16.675 4.960
160 2HE LYS 25 1HE LYS 25 9.590 16.243 4.636
161 1HZ LYS 25 1HZ LYS 25 9.012 18.129 6.196
162 2HZ LYS 25 3HZ LYS 25 10.630 18.617 6.059
163 3HZ LYS 25 2HZ LYS 25 9.642 18.562 4.678
164 H GLU 26 H GLU 26 10.521 15.650 9.462
165 HA GLU 26 HA GLU 26 8.575 14.871 11.469
166 1HB GLU 26 2HB GLU 26 10.468 16.700 11.615
167 2HB GLU 26 1HB GLU 26 9.233 17.714 10.875
168 1HG GLU 26 2HG GLU 26 8.371 18.024 12.920
169 2HG GLU 26 1HG GLU 26 7.918 16.319 12.924
170 H ASN 27 H ASN 27 6.430 15.303 11.402
171 HA ASN 27 HA ASN 27 5.328 16.189 8.832
172 1HB ASN 27 2HB ASN 27 3.324 15.306 10.689
173 2HB ASN 27 1HB ASN 27 3.787 14.605 9.145
174 1HD2 ASN 27 2HD2 ASN 27 4.474 12.487 12.336
175 2HD2 ASN 27 1HD2 ASN 27 3.232 13.659 12.074
176 H GLU 28 H GLU 28 2.980 17.189 9.326
177 HA GLU 28 HA GLU 28 3.524 19.652 10.769
178 1HB GLU 28 2HB GLU 28 2.550 19.630 8.450
179 2HB GLU 28 1HB GLU 28 1.087 18.936 9.145
180 1HG GLU 28 2HG GLU 28 0.430 21.080 9.406
181 2HG GLU 28 1HG GLU 28 1.530 21.092 10.785
182 H ASN 29 H ASN 29 1.957 16.680 11.237
183 HA ASN 29 HA ASN 29 -0.151 17.514 12.971
184 1HB ASN 29 2HB ASN 29 0.272 15.247 11.694
185 2HB ASN 29 1HB ASN 29 1.110 14.816 13.185
186 1HD2 ASN 29 2HD2 ASN 29 -1.950 13.793 14.488
187 2HD2 ASN 29 1HD2 ASN 29 -0.327 13.397 14.047
188 H GLY 30 H GLY 30 3.206 17.365 13.320
189 1HA GLY 30 2HA GLY 30 4.360 18.233 15.188
190 2HA GLY 30 1HA GLY 30 2.977 17.817 16.195
191 H ASN 31 H ASN 31 4.000 15.462 13.935
192 HA ASN 31 HA ASN 31 5.373 13.938 16.065
193 1HB ASN 31 2HB ASN 31 3.150 13.209 14.258
194 2HB ASN 31 1HB ASN 31 4.416 11.997 14.444
195 1HD2 ASN 31 2HD2 ASN 31 1.754 11.694 17.105
196 2HD2 ASN 31 1HD2 ASN 31 1.688 11.859 15.387
197 H THR 32 H THR 32 6.307 11.843 14.637
198 HA THR 32 HA THR 32 7.746 12.919 12.320
199 HB THR 32 HB THR 32 9.035 13.129 14.579
200 HG1 THR 32 HG1 THR 32 10.139 13.571 12.762
201 1HG2 THR 32 1HG2 THR 32 8.602 10.753 15.231
202 2HG2 THR 32 3HG2 THR 32 9.639 10.251 13.894
203 3HG2 THR 32 2HG2 THR 32 10.311 11.198 15.224
204 H VAL 33 H VAL 33 7.709 11.513 10.702
205 HA VAL 33 HA VAL 33 7.238 8.660 11.324
206 HB VAL 33 HB VAL 33 6.573 9.776 8.653
207 1HG1 VAL 33 2HG1 VAL 33 5.913 7.461 10.309
208 2HG1 VAL 33 1HG1 VAL 33 4.513 8.179 9.511
209 3HG1 VAL 33 3HG1 VAL 33 5.895 7.643 8.553
210 1HG2 VAL 33 3HG2 VAL 33 5.299 10.628 11.175
211 2HG2 VAL 33 2HG2 VAL 33 5.329 11.416 9.596
212 3HG2 VAL 33 1HG2 VAL 33 4.191 10.101 9.906
213 H LYS 34 H LYS 34 7.811 7.454 9.031
214 HA LYS 34 HA LYS 34 10.594 8.253 8.434
215 1HB LYS 34 2HB LYS 34 9.356 5.630 9.081
216 2HB LYS 34 1HB LYS 34 10.631 5.645 7.868
217 1HG LYS 34 2HG LYS 34 12.223 6.476 9.379
218 2HG LYS 34 1HG LYS 34 10.990 7.034 10.506
219 1HD LYS 34 2HD LYS 34 10.787 5.002 11.490
220 2HD LYS 34 1HD LYS 34 10.953 4.137 9.964
221 1HE LYS 34 2HE LYS 34 13.316 4.256 10.036
222 2HE LYS 34 1HE LYS 34 13.296 5.482 11.299
223 1HZ LYS 34 3HZ LYS 34 12.412 2.665 11.607
224 2HZ LYS 34 2HZ LYS 34 13.879 3.311 12.171
225 3HZ LYS 34 1HZ LYS 34 12.405 3.843 12.827
226 H ARG 35 H ARG 35 11.184 8.342 6.311
227 HA ARG 35 HA ARG 35 9.204 7.516 4.285
228 1HB ARG 35 2HB ARG 35 10.869 10.039 4.326
229 2HB ARG 35 1HB ARG 35 9.898 9.501 2.958
230 1HG ARG 35 2HG ARG 35 7.985 10.223 3.893
231 2HG ARG 35 1HG ARG 35 8.406 9.563 5.472
232 1HD ARG 35 2HD ARG 35 8.998 11.592 6.216
233 2HD ARG 35 1HD ARG 35 10.096 11.815 4.857
234 HE ARG 35 HE ARG 35 7.474 12.922 5.123
235 1HH1 ARG 35 1HH2 ARG 35 9.896 11.787 2.902
236 2HH1 ARG 35 2HH2 ARG 35 9.283 12.696 1.561
237 1HH2 ARG 35 2HH1 ARG 35 6.623 14.094 3.348
238 2HH2 ARG 35 1HH1 ARG 35 7.423 14.007 1.814
239 H CYS 36 H CYS 36 10.621 8.000 2.022
240 HA CYS 36 HA CYS 36 12.951 6.211 2.332
241 1HB CYS 36 2HB CYS 36 10.806 5.673 0.878
242 2HB CYS 36 1HB CYS 36 11.648 6.657 -0.304
243 H ASP 37 HN ASP 37 14.875 7.084 2.028
244 HA ASP 37 HA ASP 37 15.348 9.748 1.350
245 1HB ASP 37 2HB ASP 37 17.021 7.291 1.548
246 2HB ASP 37 1HB ASP 37 17.717 8.708 0.760
No H/Q in entry = 246
Start of MODEL 18
1 1H SER 1 2H SER 1 6.420 2.996 -9.234
2 2H SER 1 1H SER 1 4.824 3.398 -8.812
3 3H SER 1 3H SER 1 6.117 4.306 -8.195
4 HA SER 1 HA SER 1 6.907 2.426 -6.941
5 1HB SER 1 2HB SER 1 5.461 3.726 -5.643
6 2HB SER 1 1HB SER 1 4.050 3.282 -6.597
7 HG SER 1 HG SER 1 5.473 1.742 -4.683
8 HA PRO 2 HA PRO 2 5.454 -1.264 -9.165
9 1HB PRO 2 2HB PRO 2 7.758 -2.655 -8.892
10 2HB PRO 2 1HB PRO 2 7.489 -1.461 -10.171
11 1HG PRO 2 2HG PRO 2 9.082 -1.234 -7.685
12 2HG PRO 2 1HG PRO 2 9.338 -0.478 -9.265
13 1HD PRO 2 2HD PRO 2 8.253 0.779 -7.035
14 2HD PRO 2 1HD PRO 2 8.108 1.345 -8.711
15 H THR 3 H THR 3 7.483 -1.347 -6.250
16 HA THR 3 HA THR 3 5.498 -2.874 -4.810
17 HB THR 3 HB THR 3 6.975 -4.475 -6.237
18 HG1 THR 3 HG1 THR 3 5.716 -5.488 -4.834
19 1HG2 THR 3 1HG2 THR 3 8.820 -3.883 -3.918
20 2HG2 THR 3 3HG2 THR 3 9.004 -5.225 -5.050
21 3HG2 THR 3 2HG2 THR 3 9.143 -3.562 -5.623
22 H CYS 4 H CYS 4 8.903 -1.879 -4.845
23 HA CYS 4 HA CYS 4 9.062 -1.574 -2.000
24 1HB CYS 4 2HB CYS 4 11.247 -0.580 -2.475
25 2HB CYS 4 1HB CYS 4 11.034 -2.102 -3.322
26 H ILE 5 H ILE 5 9.425 0.446 -0.892
27 HA ILE 5 HA ILE 5 7.597 2.509 -1.762
28 HB ILE 5 HB ILE 5 9.454 2.396 0.606
29 1HG1 ILE 5 2HG1 ILE 5 6.690 2.114 1.270
30 2HG1 ILE 5 1HG1 ILE 5 7.092 0.938 0.020
31 1HG2 ILE 5 2HG2 ILE 5 8.425 4.650 -0.285
32 2HG2 ILE 5 1HG2 ILE 5 6.970 4.049 0.513
33 3HG2 ILE 5 3HG2 ILE 5 8.451 4.289 1.443
34 1HD1 ILE 5 2HD1 ILE 5 9.177 1.084 2.023
35 2HD1 ILE 5 1HD1 ILE 5 7.613 0.717 2.754
36 3HD1 ILE 5 3HD1 ILE 5 8.250 -0.314 1.471
37 HA PRO 6 HA PRO 6 10.975 4.577 -3.870
38 1HB PRO 6 2HB PRO 6 9.426 6.401 -5.139
39 2HB PRO 6 1HB PRO 6 9.655 4.740 -5.708
40 1HG PRO 6 2HG PRO 6 7.343 5.952 -4.298
41 2HG PRO 6 1HG PRO 6 7.376 4.669 -5.520
42 1HD PRO 6 2HD PRO 6 7.062 4.258 -2.802
43 2HD PRO 6 1HD PRO 6 7.615 3.028 -3.954
44 H SER 7 H SER 7 11.910 6.668 -3.809
45 HA SER 7 HA SER 7 12.001 7.913 -1.350
46 1HB SER 7 2HB SER 7 12.543 9.228 -4.012
47 2HB SER 7 1HB SER 7 13.170 9.730 -2.446
48 HG SER 7 HG SER 7 13.660 7.091 -2.992
49 H GLY 8 H GLY 8 10.708 9.236 -0.266
50 1HA GLY 8 2HA GLY 8 9.421 11.292 -0.189
51 2HA GLY 8 1HA GLY 8 8.728 10.855 -1.749
52 H GLN 9 H GLN 9 8.440 8.028 -0.882
53 HA GLN 9 HA GLN 9 5.867 8.324 0.456
54 1HB GLN 9 2HB GLN 9 7.172 6.310 -1.257
55 2HB GLN 9 1HB GLN 9 6.128 5.661 0.006
56 1HG GLN 9 2HG GLN 9 4.444 7.481 -0.854
57 2HG GLN 9 1HG GLN 9 5.428 7.420 -2.316
58 1HE2 GLN 9 2HE2 GLN 9 4.247 4.314 -3.377
59 2HE2 GLN 9 1HE2 GLN 9 5.347 5.625 -3.616
60 HA PRO 10 HA PRO 10 7.243 6.836 4.363
61 1HB PRO 10 2HB PRO 10 5.064 5.512 5.267
62 2HB PRO 10 1HB PRO 10 5.151 7.276 5.144
63 1HG PRO 10 2HG PRO 10 3.746 5.333 3.411
64 2HG PRO 10 1HG PRO 10 3.328 7.009 3.803
65 1HD PRO 10 2HD PRO 10 4.514 6.140 1.434
66 2HD PRO 10 1HD PRO 10 4.466 7.814 2.018
67 H CYS 11 H CYS 11 8.405 5.185 5.155
68 HA CYS 11 HA CYS 11 7.912 2.458 4.134
69 1HB CYS 11 2HB CYS 11 10.277 2.085 3.949
70 2HB CYS 11 1HB CYS 11 9.867 3.523 3.025
71 HA PRO 12 HA PRO 12 7.977 1.465 8.451
72 1HB PRO 12 2HB PRO 12 8.099 -1.231 8.249
73 2HB PRO 12 1HB PRO 12 6.630 -0.296 7.925
74 1HG PRO 12 2HG PRO 12 8.505 -1.579 6.030
75 2HG PRO 12 1HG PRO 12 6.764 -1.292 5.880
76 1HD PRO 12 2HD PRO 12 8.770 0.215 4.666
77 2HD PRO 12 1HD PRO 12 7.079 0.713 4.873
78 H TYR 13 H TYR 13 10.252 -0.385 6.419
79 HA TYR 13 HA TYR 13 12.342 0.056 8.462
80 1HB TYR 13 2HB TYR 13 12.424 -2.414 6.816
81 2HB TYR 13 1HB TYR 13 13.009 -2.132 8.449
82 HD1 TYR 13 HD1 TYR 13 11.416 -2.150 10.350
83 HD2 TYR 13 HD2 TYR 13 10.235 -3.213 6.390
84 HE1 TYR 13 HE1 TYR 13 9.392 -3.235 11.243
85 HE2 TYR 13 HE2 TYR 13 8.212 -4.297 7.286
86 HH TYR 13 HH TYR 13 7.554 -4.373 10.774
87 H ASN 14 H ASN 14 14.539 -0.084 7.580
88 HA ASN 14 HA ASN 14 14.809 1.407 5.170
89 1HB ASN 14 2HB ASN 14 17.024 -0.096 6.546
90 2HB ASN 14 1HB ASN 14 17.122 1.397 5.622
91 1HD2 ASN 14 2HD2 ASN 14 17.355 2.547 8.994
92 2HD2 ASN 14 1HD2 ASN 14 18.298 1.806 7.760
93 H GLU 15 H GLU 15 14.183 -1.822 5.685
94 HA GLU 15 HA GLU 15 15.704 -2.806 3.388
95 1HB GLU 15 2HB GLU 15 14.959 -3.936 5.804
96 2HB GLU 15 1HB GLU 15 13.853 -4.670 4.644
97 1HG GLU 15 2HG GLU 15 15.785 -5.316 3.240
98 2HG GLU 15 1HG GLU 15 16.873 -4.624 4.443
99 H ASN 16 H ASN 16 12.656 -1.505 4.080
100 HA ASN 16 HA ASN 16 11.371 -2.882 1.821
101 1HB ASN 16 2HB ASN 16 10.341 -2.478 4.227
102 2HB ASN 16 1HB ASN 16 9.914 -0.919 3.522
103 1HD2 ASN 16 2HD2 ASN 16 6.999 -2.604 2.496
104 2HD2 ASN 16 1HD2 ASN 16 7.696 -1.532 3.656
105 H CYS 17 H CYS 17 13.349 -0.394 2.076
106 HA CYS 17 HA CYS 17 11.805 1.557 0.542
107 1HB CYS 17 2HB CYS 17 14.119 1.637 2.252
108 2HB CYS 17 1HB CYS 17 14.487 2.363 0.695
109 H CYS 18 H CYS 18 12.276 2.159 -1.555
110 HA CYS 18 HA CYS 18 13.151 0.179 -3.337
111 1HB CYS 18 2HB CYS 18 12.759 3.149 -3.610
112 2HB CYS 18 1HB CYS 18 13.285 2.153 -4.955
113 H SER 19 H SER 19 14.767 2.909 -1.848
114 HA SER 19 HA SER 19 17.277 2.324 -3.196
115 1HB SER 19 2HB SER 19 17.984 4.413 -2.533
116 2HB SER 19 1HB SER 19 16.247 4.679 -2.631
117 HG SER 19 HG SER 19 16.851 5.427 -0.637
118 H GLN 20 H GLN 20 15.625 1.376 -0.437
119 HA GLN 20 HA GLN 20 16.247 -0.058 1.254
120 1HB GLN 20 2HB GLN 20 18.394 -0.258 -0.551
121 2HB GLN 20 1HB GLN 20 19.101 -0.007 1.041
122 1HG GLN 20 2HG GLN 20 18.692 -2.422 0.412
123 2HG GLN 20 1HG GLN 20 17.975 -1.911 1.940
124 1HE2 GLN 20 2HE2 GLN 20 15.648 -3.039 -1.195
125 2HE2 GLN 20 1HE2 GLN 20 17.362 -2.877 -1.333
126 H SER 21 H SER 21 16.803 3.090 0.971
127 HA SER 21 HA SER 21 18.094 3.335 3.617
128 1HB SER 21 2HB SER 21 18.270 4.960 1.127
129 2HB SER 21 1HB SER 21 18.370 5.794 2.670
130 HG SER 21 HG SER 21 20.006 4.043 3.158
131 H CYS 22 H CYS 22 16.508 3.570 5.086
132 HA CYS 22 HA CYS 22 14.165 5.229 4.427
133 1HB CYS 22 2HB CYS 22 14.699 3.035 6.372
134 2HB CYS 22 1HB CYS 22 13.487 4.237 6.780
135 H THR 23 H THR 23 13.607 7.000 5.685
136 HA THR 23 HA THR 23 15.509 7.818 7.784
137 HB THR 23 HB THR 23 16.321 9.149 6.101
138 HG1 THR 23 HG1 THR 23 15.872 10.882 7.188
139 1HG2 THR 23 2HG2 THR 23 14.639 8.308 4.437
140 2HG2 THR 23 1HG2 THR 23 13.552 9.586 4.989
141 3HG2 THR 23 3HG2 THR 23 15.093 10.002 4.236
142 H PHE 24 H PHE 24 14.577 9.913 8.856
143 HA PHE 24 HA PHE 24 11.690 9.492 9.341
144 1HB PHE 24 2HB PHE 24 13.925 9.466 11.131
145 2HB PHE 24 1HB PHE 24 12.874 10.813 11.538
146 HD1 PHE 24 HD1 PHE 24 10.329 10.245 11.703
147 HD2 PHE 24 HD2 PHE 24 13.468 7.365 11.960
148 HE1 PHE 24 HE1 PHE 24 8.814 8.698 12.878
149 HE2 PHE 24 HE2 PHE 24 11.953 5.817 13.135
150 HZ PHE 24 HZ PHE 24 9.624 6.484 13.594
151 H LYS 25 H LYS 25 10.536 11.142 8.577
152 HA LYS 25 HA LYS 25 11.747 13.834 8.497
153 1HB LYS 25 2HB LYS 25 10.667 12.498 6.439
154 2HB LYS 25 1HB LYS 25 9.208 13.257 7.071
155 1HG LYS 25 2HG LYS 25 11.586 15.005 6.806
156 2HG LYS 25 1HG LYS 25 10.852 14.454 5.302
157 1HD LYS 25 2HD LYS 25 8.685 15.331 6.016
158 2HD LYS 25 1HD LYS 25 9.379 15.832 7.556
159 1HE LYS 25 2HE LYS 25 10.911 17.350 6.346
160 2HE LYS 25 1HE LYS 25 10.166 16.870 4.825
161 1HZ LYS 25 3HZ LYS 25 8.237 17.708 6.753
162 2HZ LYS 25 2HZ LYS 25 9.380 18.925 6.437
163 3HZ LYS 25 1HZ LYS 25 8.480 18.248 5.164
164 H GLU 26 H GLU 26 10.475 15.631 9.186
165 HA GLU 26 HA GLU 26 8.620 14.941 11.323
166 1HB GLU 26 2HB GLU 26 10.667 16.596 11.429
167 2HB GLU 26 1HB GLU 26 9.490 17.735 10.782
168 1HG GLU 26 2HG GLU 26 8.657 18.019 12.840
169 2HG GLU 26 1HG GLU 26 8.225 16.310 12.889
170 H ASN 27 H ASN 27 6.515 15.546 11.373
171 HA ASN 27 HA ASN 27 5.383 16.618 8.887
172 1HB ASN 27 2HB ASN 27 3.386 15.823 10.784
173 2HB ASN 27 1HB ASN 27 3.742 15.140 9.203
174 1HD2 ASN 27 2HD2 ASN 27 4.349 12.856 12.287
175 2HD2 ASN 27 1HD2 ASN 27 3.188 14.122 12.096
176 H GLU 28 H GLU 28 3.146 17.776 9.516
177 HA GLU 28 HA GLU 28 3.940 20.126 11.028
178 1HB GLU 28 2HB GLU 28 2.848 20.212 8.732
179 2HB GLU 28 1HB GLU 28 1.360 19.713 9.534
180 1HG GLU 28 2HG GLU 28 1.204 22.053 9.492
181 2HG GLU 28 1HG GLU 28 1.795 21.711 11.119
182 H ASN 29 H ASN 29 2.136 17.274 11.428
183 HA ASN 29 HA ASN 29 0.175 18.191 13.280
184 1HB ASN 29 2HB ASN 29 0.373 15.951 11.911
185 2HB ASN 29 1HB ASN 29 1.241 15.401 13.344
186 1HD2 ASN 29 2HD2 ASN 29 -1.842 14.537 14.720
187 2HD2 ASN 29 1HD2 ASN 29 -0.281 14.036 14.172
188 H GLY 30 H GLY 30 3.522 17.778 13.492
189 1HA GLY 30 2HA GLY 30 4.814 18.480 15.334
190 2HA GLY 30 1HA GLY 30 3.437 18.158 16.384
191 H ASN 31 H ASN 31 4.193 15.797 14.017
192 HA ASN 31 HA ASN 31 5.491 14.095 16.055
193 1HB ASN 31 2HB ASN 31 3.188 13.592 14.248
194 2HB ASN 31 1HB ASN 31 4.333 12.272 14.476
195 1HD2 ASN 31 2HD2 ASN 31 1.789 13.371 17.430
196 2HD2 ASN 31 1HD2 ASN 31 1.874 14.201 15.918
197 H THR 32 H THR 32 6.282 12.003 14.604
198 HA THR 32 HA THR 32 7.665 13.009 12.222
199 HB THR 32 HB THR 32 9.082 13.217 14.358
200 HG1 THR 32 HG1 THR 32 10.157 13.415 12.483
201 1HG2 THR 32 3HG2 THR 32 9.117 10.229 13.945
202 2HG2 THR 32 2HG2 THR 32 10.327 11.103 14.885
203 3HG2 THR 32 1HG2 THR 32 8.638 11.107 15.398
204 H VAL 33 H VAL 33 7.669 11.583 10.618
205 HA VAL 33 HA VAL 33 7.010 8.766 11.228
206 HB VAL 33 HB VAL 33 6.475 9.913 8.541
207 1HG1 VAL 33 1HG1 VAL 33 5.656 7.639 10.167
208 2HG1 VAL 33 3HG1 VAL 33 4.297 8.450 9.387
209 3HG1 VAL 33 2HG1 VAL 33 5.639 7.843 8.414
210 1HG2 VAL 33 3HG2 VAL 33 5.191 10.852 11.028
211 2HG2 VAL 33 2HG2 VAL 33 5.317 11.634 9.450
212 3HG2 VAL 33 1HG2 VAL 33 4.089 10.397 9.726
213 H LYS 34 H LYS 34 7.619 7.471 9.032
214 HA LYS 34 HA LYS 34 10.426 8.189 8.448
215 1HB LYS 34 2HB LYS 34 9.125 5.627 9.187
216 2HB LYS 34 1HB LYS 34 10.402 5.556 7.976
217 1HG LYS 34 2HG LYS 34 12.012 6.414 9.453
218 2HG LYS 34 1HG LYS 34 10.791 7.058 10.547
219 1HD LYS 34 2HD LYS 34 11.154 4.102 10.055
220 2HD LYS 34 1HD LYS 34 11.996 4.967 11.339
221 1HE LYS 34 2HE LYS 34 10.198 4.814 12.653
222 2HE LYS 34 1HE LYS 34 9.222 5.646 11.447
223 1HZ LYS 34 2HZ LYS 34 9.407 3.189 10.401
224 2HZ LYS 34 1HZ LYS 34 9.402 2.830 12.062
225 3HZ LYS 34 3HZ LYS 34 8.125 3.716 11.384
226 H ARG 35 H ARG 35 10.884 8.537 6.372
227 HA ARG 35 HA ARG 35 8.988 7.572 4.320
228 1HB ARG 35 2HB ARG 35 10.699 10.062 4.341
229 2HB ARG 35 1HB ARG 35 9.727 9.522 2.973
230 1HG ARG 35 2HG ARG 35 7.695 9.814 4.196
231 2HG ARG 35 1HG ARG 35 8.566 10.055 5.708
232 1HD ARG 35 2HD ARG 35 9.005 12.235 5.252
233 2HD ARG 35 1HD ARG 35 9.284 11.923 3.539
234 HE ARG 35 HE ARG 35 6.539 11.600 4.076
235 1HH1 ARG 35 1HH2 ARG 35 9.019 14.033 3.867
236 2HH1 ARG 35 2HH2 ARG 35 7.916 15.315 3.494
237 1HH2 ARG 35 2HH1 ARG 35 5.066 13.295 3.631
238 2HH2 ARG 35 1HH1 ARG 35 5.669 14.896 3.360
239 H CYS 36 H CYS 36 10.411 7.997 2.069
240 HA CYS 36 HA CYS 36 12.708 6.168 2.386
241 1HB CYS 36 2HB CYS 36 10.565 5.641 0.952
242 2HB CYS 36 1HB CYS 36 11.371 6.648 -0.234
243 H ASP 37 HN ASP 37 14.645 6.965 2.041
244 HA ASP 37 HA ASP 37 15.387 9.525 1.556
245 1HB ASP 37 2HB ASP 37 16.679 6.891 1.081
246 2HB ASP 37 1HB ASP 37 17.447 8.310 0.371
No H/Q in entry = 246
Start of MODEL 19
1 1H SER 1 3H SER 1 -1.708 -2.775 -4.446
2 2H SER 1 2H SER 1 -2.496 -3.246 -3.017
3 3H SER 1 1H SER 1 -1.832 -1.689 -3.150
4 HA SER 1 HA SER 1 -0.233 -2.706 -1.916
5 1HB SER 1 2HB SER 1 0.516 -5.068 -2.442
6 2HB SER 1 1HB SER 1 -1.109 -4.906 -1.785
7 HG SER 1 HG SER 1 -1.559 -4.747 -4.276
8 HA PRO 2 HA PRO 2 2.262 -1.394 -5.500
9 1HB PRO 2 2HB PRO 2 3.617 0.543 -4.185
10 2HB PRO 2 1HB PRO 2 2.017 0.790 -4.901
11 1HG PRO 2 2HG PRO 2 2.781 0.440 -2.065
12 2HG PRO 2 1HG PRO 2 1.436 1.351 -2.770
13 1HD PRO 2 2HD PRO 2 1.256 -1.165 -1.572
14 2HD PRO 2 1HD PRO 2 0.031 -0.416 -2.615
15 H THR 3 H THR 3 4.709 -1.081 -5.640
16 HA THR 3 HA THR 3 5.985 -3.326 -4.328
17 HB THR 3 HB THR 3 6.254 -2.565 -6.776
18 HG1 THR 3 HG1 THR 3 7.653 -4.096 -6.410
19 1HG2 THR 3 2HG2 THR 3 7.080 -0.219 -5.628
20 2HG2 THR 3 1HG2 THR 3 8.612 -1.006 -6.011
21 3HG2 THR 3 3HG2 THR 3 7.426 -0.717 -7.285
22 H CYS 4 H CYS 4 8.645 -2.123 -4.354
23 HA CYS 4 HA CYS 4 9.000 -1.436 -1.729
24 1HB CYS 4 2HB CYS 4 11.122 -0.451 -2.403
25 2HB CYS 4 1HB CYS 4 10.830 -1.952 -3.264
26 H ILE 5 H ILE 5 9.366 0.554 -0.639
27 HA ILE 5 HA ILE 5 7.489 2.626 -1.379
28 HB ILE 5 HB ILE 5 9.445 2.375 0.901
29 1HG1 ILE 5 2HG1 ILE 5 6.946 2.277 1.975
30 2HG1 ILE 5 1HG1 ILE 5 6.681 1.476 0.428
31 1HG2 ILE 5 3HG2 ILE 5 8.417 4.727 0.014
32 2HG2 ILE 5 2HG2 ILE 5 7.169 4.223 1.155
33 3HG2 ILE 5 1HG2 ILE 5 8.840 4.396 1.695
34 1HD1 ILE 5 3HD1 ILE 5 8.993 0.714 2.199
35 2HD1 ILE 5 2HD1 ILE 5 7.388 0.017 2.436
36 3HD1 ILE 5 1HD1 ILE 5 8.237 -0.222 0.907
37 HA PRO 6 HA PRO 6 10.776 4.669 -3.711
38 1HB PRO 6 2HB PRO 6 9.167 6.549 -4.824
39 2HB PRO 6 1HB PRO 6 9.330 4.901 -5.452
40 1HG PRO 6 2HG PRO 6 7.174 6.073 -3.760
41 2HG PRO 6 1HG PRO 6 7.050 4.929 -5.110
42 1HD PRO 6 2HD PRO 6 6.902 4.161 -2.506
43 2HD PRO 6 1HD PRO 6 7.539 3.113 -3.791
44 H SER 7 H SER 7 11.723 6.767 -3.668
45 HA SER 7 HA SER 7 11.978 7.960 -1.185
46 1HB SER 7 2HB SER 7 12.984 9.875 -2.415
47 2HB SER 7 1HB SER 7 13.623 8.308 -2.896
48 HG SER 7 HG SER 7 11.417 9.368 -4.283
49 H GLY 8 H GLY 8 10.740 9.266 -0.004
50 1HA GLY 8 2HA GLY 8 9.471 11.314 0.213
51 2HA GLY 8 1HA GLY 8 8.741 10.972 -1.355
52 H GLN 9 H GLN 9 8.439 8.100 -0.597
53 HA GLN 9 HA GLN 9 5.876 8.369 0.765
54 1HB GLN 9 2HB GLN 9 6.924 6.687 -1.255
55 2HB GLN 9 1HB GLN 9 6.534 5.659 0.121
56 1HG GLN 9 2HG GLN 9 4.381 5.749 -0.475
57 2HG GLN 9 1HG GLN 9 4.393 7.482 -0.147
58 1HE2 GLN 9 2HE2 GLN 9 5.032 8.359 -3.584
59 2HE2 GLN 9 1HE2 GLN 9 5.522 8.765 -1.978
60 HA PRO 10 HA PRO 10 7.267 6.751 4.617
61 1HB PRO 10 2HB PRO 10 5.057 5.470 5.510
62 2HB PRO 10 1HB PRO 10 5.198 7.233 5.434
63 1HG PRO 10 2HG PRO 10 3.715 5.381 3.665
64 2HG PRO 10 1HG PRO 10 3.352 7.057 4.108
65 1HD PRO 10 2HD PRO 10 4.484 6.222 1.703
66 2HD PRO 10 1HD PRO 10 4.495 7.880 2.335
67 H CYS 11 H CYS 11 8.569 5.110 5.097
68 HA CYS 11 HA CYS 11 7.944 2.411 4.064
69 1HB CYS 11 2HB CYS 11 10.318 2.001 3.929
70 2HB CYS 11 1HB CYS 11 9.930 3.459 3.026
71 HA PRO 12 HA PRO 12 7.955 1.160 8.311
72 1HB PRO 12 2HB PRO 12 8.164 -1.517 7.973
73 2HB PRO 12 1HB PRO 12 6.678 -0.608 7.649
74 1HG PRO 12 2HG PRO 12 8.648 -1.738 5.753
75 2HG PRO 12 1HG PRO 12 6.905 -1.486 5.559
76 1HD PRO 12 2HD PRO 12 8.915 0.135 4.499
77 2HD PRO 12 1HD PRO 12 7.203 0.572 4.662
78 H TYR 13 H TYR 13 10.327 -0.560 6.276
79 HA TYR 13 HA TYR 13 12.364 -0.113 8.370
80 1HB TYR 13 2HB TYR 13 12.534 -2.564 6.700
81 2HB TYR 13 1HB TYR 13 13.073 -2.288 8.350
82 HD1 TYR 13 HD1 TYR 13 10.986 -1.718 9.997
83 HD2 TYR 13 HD2 TYR 13 10.827 -4.049 6.428
84 HE1 TYR 13 HE1 TYR 13 8.963 -2.857 10.829
85 HE2 TYR 13 HE2 TYR 13 8.805 -5.185 7.260
86 HH TYR 13 HH TYR 13 6.960 -4.709 8.875
87 H ASN 14 H ASN 14 14.580 -0.210 7.523
88 HA ASN 14 HA ASN 14 14.864 1.315 5.133
89 1HB ASN 14 2HB ASN 14 17.086 -0.176 6.509
90 2HB ASN 14 1HB ASN 14 17.166 1.338 5.620
91 1HD2 ASN 14 2HD2 ASN 14 17.362 2.426 9.011
92 2HD2 ASN 14 1HD2 ASN 14 18.321 1.733 7.763
93 H GLU 15 H GLU 15 14.277 -1.930 5.609
94 HA GLU 15 HA GLU 15 15.825 -2.854 3.299
95 1HB GLU 15 2HB GLU 15 15.196 -4.022 5.715
96 2HB GLU 15 1HB GLU 15 14.050 -4.772 4.608
97 1HG GLU 15 2HG GLU 15 15.838 -5.516 3.165
98 2HG GLU 15 1HG GLU 15 17.029 -4.616 4.107
99 H ASN 16 H ASN 16 12.767 -1.620 3.998
100 HA ASN 16 HA ASN 16 11.514 -3.040 1.738
101 1HB ASN 16 2HB ASN 16 10.498 -2.799 4.173
102 2HB ASN 16 1HB ASN 16 9.958 -1.245 3.536
103 1HD2 ASN 16 2HD2 ASN 16 7.144 -3.054 2.457
104 2HD2 ASN 16 1HD2 ASN 16 7.787 -1.968 3.637
105 H CYS 17 H CYS 17 13.356 -0.488 1.994
106 HA CYS 17 HA CYS 17 11.654 1.446 0.605
107 1HB CYS 17 2HB CYS 17 13.996 1.592 2.253
108 2HB CYS 17 1HB CYS 17 14.317 2.358 0.704
109 H CYS 18 H CYS 18 12.059 2.191 -1.481
110 HA CYS 18 HA CYS 18 12.924 0.311 -3.373
111 1HB CYS 18 2HB CYS 18 12.509 3.291 -3.513
112 2HB CYS 18 1HB CYS 18 12.950 2.329 -4.913
113 H SER 19 H SER 19 14.533 3.017 -1.828
114 HA SER 19 HA SER 19 17.013 2.525 -3.263
115 1HB SER 19 2HB SER 19 17.695 4.607 -2.564
116 2HB SER 19 1HB SER 19 15.950 4.837 -2.590
117 HG SER 19 HG SER 19 15.912 4.548 -0.366
118 H GLN 20 H GLN 20 15.465 1.471 -0.476
119 HA GLN 20 HA GLN 20 16.165 0.002 1.154
120 1HB GLN 20 2HB GLN 20 18.223 -0.153 -0.744
121 2HB GLN 20 1HB GLN 20 19.013 0.102 0.809
122 1HG GLN 20 2HG GLN 20 18.666 -2.305 0.268
123 2HG GLN 20 1HG GLN 20 17.875 -1.808 1.764
124 1HE2 GLN 20 2HE2 GLN 20 15.722 -3.159 -1.385
125 2HE2 GLN 20 1HE2 GLN 20 17.441 -2.993 -1.431
126 H SER 21 H SER 21 16.659 3.158 0.951
127 HA SER 21 HA SER 21 18.065 3.341 3.543
128 1HB SER 21 2HB SER 21 18.153 5.013 1.085
129 2HB SER 21 1HB SER 21 18.274 5.834 2.635
130 HG SER 21 HG SER 21 20.201 4.602 1.352
131 H CYS 22 H CYS 22 16.489 3.466 5.050
132 HA CYS 22 HA CYS 22 14.139 5.160 4.539
133 1HB CYS 22 2HB CYS 22 14.738 2.902 6.393
134 2HB CYS 22 1HB CYS 22 13.511 4.071 6.851
135 H THR 23 H THR 23 13.634 6.894 5.844
136 HA THR 23 HA THR 23 15.537 7.620 7.973
137 HB THR 23 HB THR 23 16.379 8.944 6.268
138 HG1 THR 23 HG1 THR 23 16.094 10.627 7.483
139 1HG2 THR 23 3HG2 THR 23 14.595 8.316 4.634
140 2HG2 THR 23 2HG2 THR 23 13.582 9.583 5.329
141 3HG2 THR 23 1HG2 THR 23 15.099 10.005 4.533
142 H PHE 24 H PHE 24 14.627 9.684 9.116
143 HA PHE 24 HA PHE 24 11.728 9.288 9.539
144 1HB PHE 24 2HB PHE 24 13.923 9.185 11.357
145 2HB PHE 24 1HB PHE 24 12.927 10.573 11.766
146 HD1 PHE 24 HD2 PHE 24 10.310 10.041 11.739
147 HD2 PHE 24 HD1 PHE 24 13.415 7.171 12.323
148 HE1 PHE 24 HE2 PHE 24 8.714 8.544 12.875
149 HE2 PHE 24 HE1 PHE 24 11.821 5.678 13.464
150 HZ PHE 24 HZ PHE 24 9.470 6.364 13.740
151 H LYS 25 H LYS 25 10.616 10.942 8.728
152 HA LYS 25 HA LYS 25 11.811 13.643 8.773
153 1HB LYS 25 2HB LYS 25 10.736 12.268 6.660
154 2HB LYS 25 1HB LYS 25 9.369 13.242 7.197
155 1HG LYS 25 2HG LYS 25 12.053 14.529 6.887
156 2HG LYS 25 1HG LYS 25 11.083 14.205 5.452
157 1HD LYS 25 2HD LYS 25 9.243 15.338 7.140
158 2HD LYS 25 1HD LYS 25 10.712 16.213 7.561
159 1HE LYS 25 2HE LYS 25 10.047 15.836 4.674
160 2HE LYS 25 1HE LYS 25 9.150 17.039 5.596
161 1HZ LYS 25 3HZ LYS 25 12.106 16.940 5.576
162 2HZ LYS 25 2HZ LYS 25 11.219 17.822 4.426
163 3HZ LYS 25 1HZ LYS 25 11.102 18.213 6.075
164 H GLU 26 H GLU 26 10.378 15.429 9.304
165 HA GLU 26 HA GLU 26 8.345 14.637 11.261
166 1HB GLU 26 2HB GLU 26 10.453 16.095 11.812
167 2HB GLU 26 1HB GLU 26 9.479 17.390 11.123
168 1HG GLU 26 2HG GLU 26 7.763 17.091 12.750
169 2HG GLU 26 1HG GLU 26 8.455 15.562 13.295
170 H ASN 27 H ASN 27 6.286 15.345 11.100
171 HA ASN 27 HA ASN 27 5.514 16.672 8.615
172 1HB ASN 27 2HB ASN 27 3.334 16.010 10.416
173 2HB ASN 27 1HB ASN 27 3.620 15.486 8.763
174 1HD2 ASN 27 2HD2 ASN 27 3.953 12.821 11.595
175 2HD2 ASN 27 1HD2 ASN 27 2.991 14.257 11.598
176 H GLU 28 H GLU 28 3.243 17.938 9.248
177 HA GLU 28 HA GLU 28 4.188 20.246 10.738
178 1HB GLU 28 2HB GLU 28 3.144 20.519 8.499
179 2HB GLU 28 1HB GLU 28 1.637 19.892 9.164
180 1HG GLU 28 2HG GLU 28 1.108 21.897 10.010
181 2HG GLU 28 1HG GLU 28 2.665 22.015 10.831
182 H ASN 29 H ASN 29 2.196 17.513 11.143
183 HA ASN 29 HA ASN 29 0.335 18.550 13.034
184 1HB ASN 29 2HB ASN 29 0.319 16.321 11.655
185 2HB ASN 29 1HB ASN 29 1.214 15.689 13.040
186 1HD2 ASN 29 2HD2 ASN 29 -1.938 14.967 14.394
187 2HD2 ASN 29 1HD2 ASN 29 -0.496 14.349 13.669
188 H GLY 30 H GLY 30 3.647 17.903 13.188
189 1HA GLY 30 2HA GLY 30 5.016 18.499 15.011
190 2HA GLY 30 1HA GLY 30 3.636 18.268 16.081
191 H ASN 31 H ASN 31 4.028 15.828 13.752
192 HA ASN 31 HA ASN 31 5.180 14.022 15.783
193 1HB ASN 31 2HB ASN 31 3.121 13.651 13.639
194 2HB ASN 31 1HB ASN 31 4.061 12.276 14.206
195 1HD2 ASN 31 2HD2 ASN 31 1.021 12.423 16.274
196 2HD2 ASN 31 1HD2 ASN 31 1.418 12.166 14.612
197 H THR 32 H THR 32 6.104 11.983 14.513
198 HA THR 32 HA THR 32 7.634 12.848 12.168
199 HB THR 32 HB THR 32 8.872 13.156 14.449
200 HG1 THR 32 HG1 THR 32 10.087 13.476 12.707
201 1HG2 THR 32 2HG2 THR 32 8.347 10.813 15.195
202 2HG2 THR 32 1HG2 THR 32 9.446 10.238 13.940
203 3HG2 THR 32 3HG2 THR 32 10.057 11.243 15.256
204 H VAL 33 H VAL 33 7.645 11.336 10.652
205 HA VAL 33 HA VAL 33 7.092 8.537 11.428
206 HB VAL 33 HB VAL 33 6.420 9.514 8.704
207 1HG1 VAL 33 3HG1 VAL 33 5.750 7.299 10.483
208 2HG1 VAL 33 2HG1 VAL 33 4.344 7.995 9.672
209 3HG1 VAL 33 1HG1 VAL 33 5.705 7.394 8.721
210 1HG2 VAL 33 2HG2 VAL 33 4.927 10.275 11.202
211 2HG2 VAL 33 1HG2 VAL 33 5.395 11.295 9.839
212 3HG2 VAL 33 3HG2 VAL 33 4.099 10.111 9.652
213 H LYS 34 H LYS 34 7.697 7.153 9.286
214 HA LYS 34 HA LYS 34 10.478 7.926 8.651
215 1HB LYS 34 2HB LYS 34 9.198 5.356 9.365
216 2HB LYS 34 1HB LYS 34 10.422 5.291 8.099
217 1HG LYS 34 2HG LYS 34 12.088 6.188 9.526
218 2HG LYS 34 1HG LYS 34 10.898 6.696 10.720
219 1HD LYS 34 2HD LYS 34 11.120 4.739 11.779
220 2HD LYS 34 1HD LYS 34 10.594 3.892 10.328
221 1HE LYS 34 2HE LYS 34 12.771 3.064 11.027
222 2HE LYS 34 1HE LYS 34 12.917 3.915 9.492
223 1HZ LYS 34 3HZ LYS 34 13.548 5.911 10.869
224 2HZ LYS 34 2HZ LYS 34 13.707 4.848 12.186
225 3HZ LYS 34 1HZ LYS 34 14.685 4.653 10.810
226 H ARG 35 H ARG 35 10.836 8.465 6.610
227 HA ARG 35 HA ARG 35 8.982 7.500 4.521
228 1HB ARG 35 2HB ARG 35 10.617 10.031 4.714
229 2HB ARG 35 1HB ARG 35 9.796 9.514 3.242
230 1HG ARG 35 2HG ARG 35 7.657 9.722 4.241
231 2HG ARG 35 1HG ARG 35 8.340 9.828 5.861
232 1HD ARG 35 2HD ARG 35 9.124 12.025 5.508
233 2HD ARG 35 1HD ARG 35 8.953 11.894 3.759
234 HE ARG 35 HE ARG 35 6.426 11.567 4.991
235 1HH1 ARG 35 1HH2 ARG 35 8.837 13.926 4.137
236 2HH1 ARG 35 2HH2 ARG 35 7.731 15.260 4.158
237 1HH2 ARG 35 2HH1 ARG 35 4.970 13.332 5.099
238 2HH2 ARG 35 1HH1 ARG 35 5.534 14.922 4.705
239 H CYS 36 H CYS 36 10.392 8.009 2.285
240 HA CYS 36 HA CYS 36 12.729 6.226 2.553
241 1HB CYS 36 2HB CYS 36 10.591 5.677 1.115
242 2HB CYS 36 1HB CYS 36 11.378 6.715 -0.056
243 H ASP 37 HN ASP 37 14.641 6.751 1.594
244 HA ASP 37 HA ASP 37 15.345 9.460 1.379
245 1HB ASP 37 2HB ASP 37 16.659 6.856 0.783
246 2HB ASP 37 1HB ASP 37 17.384 8.315 0.109
No H/Q in entry = 246
Start of MODEL 20
1 1H SER 1 2H SER 1 1.471 2.136 -7.795
2 2H SER 1 1H SER 1 1.128 1.822 -9.429
3 3H SER 1 3H SER 1 0.515 0.799 -8.224
4 HA SER 1 HA SER 1 2.371 -0.242 -9.317
5 1HB SER 1 2HB SER 1 3.647 1.586 -10.109
6 2HB SER 1 1HB SER 1 3.761 2.303 -8.506
7 HG SER 1 HG SER 1 5.679 1.120 -9.258
8 HA PRO 2 HA PRO 2 2.455 -1.440 -4.939
9 1HB PRO 2 2HB PRO 2 1.995 -4.069 -5.374
10 2HB PRO 2 1HB PRO 2 0.707 -2.856 -5.298
11 1HG PRO 2 2HG PRO 2 1.852 -4.241 -7.642
12 2HG PRO 2 1HG PRO 2 0.227 -3.584 -7.398
13 1HD PRO 2 2HD PRO 2 2.293 -2.392 -8.875
14 2HD PRO 2 1HD PRO 2 0.788 -1.612 -8.350
15 H THR 3 H THR 3 4.825 -0.827 -5.561
16 HA THR 3 HA THR 3 6.459 -3.283 -5.409
17 HB THR 3 HB THR 3 6.543 -1.947 -7.607
18 HG1 THR 3 HG1 THR 3 8.294 -3.083 -7.718
19 1HG2 THR 3 3HG2 THR 3 6.766 0.241 -6.201
20 2HG2 THR 3 2HG2 THR 3 8.477 -0.186 -6.155
21 3HG2 THR 3 1HG2 THR 3 7.672 0.071 -7.705
22 H CYS 4 H CYS 4 8.897 -1.766 -5.059
23 HA CYS 4 HA CYS 4 8.916 -1.475 -2.267
24 1HB CYS 4 2HB CYS 4 11.128 -0.459 -2.601
25 2HB CYS 4 1HB CYS 4 10.935 -1.940 -3.523
26 H ILE 5 H ILE 5 9.365 0.500 -1.048
27 HA ILE 5 HA ILE 5 7.524 2.606 -1.764
28 HB ILE 5 HB ILE 5 9.453 2.429 0.543
29 1HG1 ILE 5 2HG1 ILE 5 6.609 1.466 0.237
30 2HG1 ILE 5 1HG1 ILE 5 8.035 0.498 0.596
31 1HG2 ILE 5 1HG2 ILE 5 8.333 4.666 -0.136
32 2HG2 ILE 5 3HG2 ILE 5 6.860 3.938 0.507
33 3HG2 ILE 5 2HG2 ILE 5 8.265 4.160 1.553
34 1HD1 ILE 5 3HD1 ILE 5 7.503 2.710 2.479
35 2HD1 ILE 5 2HD1 ILE 5 6.310 1.409 2.479
36 3HD1 ILE 5 1HD1 ILE 5 8.010 1.050 2.795
37 HA PRO 6 HA PRO 6 10.815 4.831 -3.816
38 1HB PRO 6 2HB PRO 6 9.252 6.778 -4.861
39 2HB PRO 6 1HB PRO 6 9.408 5.161 -5.564
40 1HG PRO 6 2HG PRO 6 7.192 6.321 -3.983
41 2HG PRO 6 1HG PRO 6 7.148 5.098 -5.262
42 1HD PRO 6 2HD PRO 6 6.973 4.591 -2.529
43 2HD PRO 6 1HD PRO 6 7.362 3.391 -3.775
44 H SER 7 H SER 7 11.798 6.896 -3.649
45 HA SER 7 HA SER 7 12.027 7.954 -1.103
46 1HB SER 7 2HB SER 7 13.142 9.875 -2.185
47 2HB SER 7 1HB SER 7 13.707 8.326 -2.799
48 HG SER 7 HG SER 7 12.924 10.239 -4.278
49 H GLY 8 H GLY 8 10.858 9.286 0.103
50 1HA GLY 8 2HA GLY 8 9.634 11.331 0.401
51 2HA GLY 8 1HA GLY 8 8.916 11.092 -1.191
52 H GLN 9 H GLN 9 8.611 8.155 -0.435
53 HA GLN 9 HA GLN 9 5.982 8.447 0.797
54 1HB GLN 9 2HB GLN 9 7.237 6.606 -1.044
55 2HB GLN 9 1HB GLN 9 6.473 5.742 0.286
56 1HG GLN 9 2HG GLN 9 4.427 6.156 -0.530
57 2HG GLN 9 1HG GLN 9 4.770 7.881 -0.662
58 1HE2 GLN 9 2HE2 GLN 9 5.879 7.698 -4.045
59 2HE2 GLN 9 1HE2 GLN 9 6.128 8.521 -2.546
60 HA PRO 10 HA PRO 10 7.245 6.958 4.739
61 1HB PRO 10 2HB PRO 10 4.972 5.794 5.627
62 2HB PRO 10 1HB PRO 10 5.183 7.546 5.490
63 1HG PRO 10 2HG PRO 10 3.666 5.688 3.758
64 2HG PRO 10 1HG PRO 10 3.362 7.392 4.127
65 1HD PRO 10 2HD PRO 10 4.512 6.418 1.782
66 2HD PRO 10 1HD PRO 10 4.575 8.098 2.349
67 H CYS 11 H CYS 11 8.541 5.321 5.207
68 HA CYS 11 HA CYS 11 7.771 2.574 4.430
69 1HB CYS 11 2HB CYS 11 10.109 2.072 4.117
70 2HB CYS 11 1HB CYS 11 9.687 3.472 3.138
71 HA PRO 12 HA PRO 12 8.093 1.803 8.791
72 1HB PRO 12 2HB PRO 12 7.911 -0.895 8.729
73 2HB PRO 12 1HB PRO 12 6.527 0.181 8.482
74 1HG PRO 12 2HG PRO 12 8.067 -1.392 6.508
75 2HG PRO 12 1HG PRO 12 6.363 -0.910 6.489
76 1HD PRO 12 2HD PRO 12 8.419 0.295 5.034
77 2HD PRO 12 1HD PRO 12 6.813 0.987 5.335
78 H TYR 13 H TYR 13 10.048 -0.199 6.594
79 HA TYR 13 HA TYR 13 12.288 -0.008 8.510
80 1HB TYR 13 2HB TYR 13 12.034 -2.445 6.827
81 2HB TYR 13 1HB TYR 13 12.758 -2.247 8.417
82 HD1 TYR 13 HD2 TYR 13 11.206 -1.938 10.407
83 HD2 TYR 13 HD1 TYR 13 9.857 -3.245 6.575
84 HE1 TYR 13 HE2 TYR 13 9.158 -2.846 11.435
85 HE2 TYR 13 HE1 TYR 13 7.811 -4.152 7.605
86 HH TYR 13 HH TYR 13 6.532 -3.392 10.136
87 H ASN 14 H ASN 14 14.399 -0.256 7.510
88 HA ASN 14 HA ASN 14 14.645 1.231 5.098
89 1HB ASN 14 2HB ASN 14 16.822 -0.448 6.318
90 2HB ASN 14 1HB ASN 14 16.968 1.054 5.416
91 1HD2 ASN 14 2HD2 ASN 14 17.491 2.102 8.790
92 2HD2 ASN 14 1HD2 ASN 14 18.299 1.318 7.489
93 H GLU 15 H GLU 15 13.868 -1.973 5.649
94 HA GLU 15 HA GLU 15 15.198 -3.067 3.301
95 1HB GLU 15 2HB GLU 15 14.357 -4.136 5.702
96 2HB GLU 15 1HB GLU 15 13.143 -4.711 4.563
97 1HG GLU 15 2HG GLU 15 14.581 -6.165 3.632
98 2HG GLU 15 1HG GLU 15 15.835 -4.933 3.480
99 H ASN 16 H ASN 16 12.290 -1.483 4.052
100 HA ASN 16 HA ASN 16 10.869 -2.649 1.759
101 1HB ASN 16 2HB ASN 16 9.896 -2.198 4.180
102 2HB ASN 16 1HB ASN 16 9.636 -0.584 3.518
103 1HD2 ASN 16 2HD2 ASN 16 6.566 -1.854 2.392
104 2HD2 ASN 16 1HD2 ASN 16 7.384 -0.846 3.532
105 H CYS 17 H CYS 17 13.116 -0.431 2.016
106 HA CYS 17 HA CYS 17 11.787 1.737 0.564
107 1HB CYS 17 2HB CYS 17 14.087 1.513 2.266
108 2HB CYS 17 1HB CYS 17 14.560 2.195 0.719
109 H CYS 18 H CYS 18 12.355 2.365 -1.506
110 HA CYS 18 HA CYS 18 13.046 0.320 -3.341
111 1HB CYS 18 2HB CYS 18 12.738 3.303 -3.542
112 2HB CYS 18 1HB CYS 18 13.286 2.352 -4.913
113 H SER 19 H SER 19 14.783 2.906 -1.767
114 HA SER 19 HA SER 19 17.272 2.262 -3.138
115 1HB SER 19 2HB SER 19 18.042 4.318 -2.459
116 2HB SER 19 1HB SER 19 16.313 4.645 -2.509
117 HG SER 19 HG SER 19 16.224 4.448 -0.301
118 H GLN 20 H GLN 20 15.569 1.191 -0.506
119 HA GLN 20 HA GLN 20 16.116 -0.240 1.200
120 1HB GLN 20 2HB GLN 20 18.488 -0.268 -0.491
121 2HB GLN 20 1HB GLN 20 18.864 -0.533 1.209
122 1HG GLN 20 2HG GLN 20 18.453 -2.683 0.269
123 2HG GLN 20 1HG GLN 20 17.019 -2.278 1.215
124 1HE2 GLN 20 2HE2 GLN 20 15.115 -3.118 -1.579
125 2HE2 GLN 20 1HE2 GLN 20 15.533 -3.439 0.066
126 H SER 21 H SER 21 16.758 2.888 1.006
127 HA SER 21 HA SER 21 18.050 3.019 3.662
128 1HB SER 21 2HB SER 21 18.397 4.627 1.196
129 2HB SER 21 1HB SER 21 18.429 5.496 2.725
130 HG SER 21 HG SER 21 19.918 3.451 3.188
131 H CYS 22 H CYS 22 16.432 3.271 5.095
132 HA CYS 22 HA CYS 22 14.207 5.092 4.466
133 1HB CYS 22 2HB CYS 22 14.600 2.827 6.365
134 2HB CYS 22 1HB CYS 22 13.450 4.084 6.785
135 H THR 23 H THR 23 13.770 6.881 5.728
136 HA THR 23 HA THR 23 15.702 7.537 7.864
137 HB THR 23 HB THR 23 16.567 8.884 6.221
138 HG1 THR 23 HG1 THR 23 16.172 10.618 7.331
139 1HG2 THR 23 3HG2 THR 23 13.772 9.083 5.112
140 2HG2 THR 23 2HG2 THR 23 15.128 10.030 4.496
141 3HG2 THR 23 1HG2 THR 23 15.163 8.267 4.397
142 H PHE 24 H PHE 24 14.846 9.688 8.968
143 HA PHE 24 HA PHE 24 11.947 9.355 9.450
144 1HB PHE 24 2HB PHE 24 14.176 9.239 11.257
145 2HB PHE 24 1HB PHE 24 13.139 10.594 11.680
146 HD1 PHE 24 HD2 PHE 24 10.568 10.041 11.749
147 HD2 PHE 24 HD1 PHE 24 13.687 7.147 12.081
148 HE1 PHE 24 HE2 PHE 24 9.009 8.487 12.857
149 HE2 PHE 24 HE1 PHE 24 12.129 5.595 13.193
150 HZ PHE 24 HZ PHE 24 9.790 6.264 13.581
151 H LYS 25 H LYS 25 10.842 11.060 8.737
152 HA LYS 25 HA LYS 25 12.123 13.724 8.822
153 1HB LYS 25 2HB LYS 25 11.143 12.375 6.616
154 2HB LYS 25 1HB LYS 25 9.828 13.466 7.044
155 1HG LYS 25 2HG LYS 25 12.595 14.569 7.006
156 2HG LYS 25 1HG LYS 25 11.825 14.227 5.458
157 1HD LYS 25 2HD LYS 25 9.807 15.535 6.478
158 2HD LYS 25 1HD LYS 25 11.016 16.178 7.586
159 1HE LYS 25 2HE LYS 25 10.956 17.736 5.828
160 2HE LYS 25 1HE LYS 25 12.375 16.751 5.485
161 1HZ LYS 25 2HZ LYS 25 10.506 15.391 4.181
162 2HZ LYS 25 1HZ LYS 25 9.864 16.958 4.047
163 3HZ LYS 25 3HZ LYS 25 11.425 16.630 3.470
164 H GLU 26 H GLU 26 10.797 15.497 9.415
165 HA GLU 26 HA GLU 26 8.699 14.773 11.284
166 1HB GLU 26 2HB GLU 26 10.364 16.335 12.058
167 2HB GLU 26 1HB GLU 26 10.051 17.400 10.689
168 1HG GLU 26 2HG GLU 26 7.988 18.087 11.528
169 2HG GLU 26 1HG GLU 26 7.819 16.661 12.552
170 H ASN 27 H ASN 27 6.608 15.583 11.229
171 HA ASN 27 HA ASN 27 5.686 16.489 8.580
172 1HB ASN 27 2HB ASN 27 3.461 15.716 10.093
173 2HB ASN 27 1HB ASN 27 4.200 14.831 8.765
174 1HD2 ASN 27 2HD2 ASN 27 4.185 13.195 12.340
175 2HD2 ASN 27 1HD2 ASN 27 3.120 14.423 11.758
176 H GLU 28 H GLU 28 3.302 17.507 9.086
177 HA GLU 28 HA GLU 28 3.909 19.946 10.547
178 1HB GLU 28 2HB GLU 28 2.933 19.939 8.215
179 2HB GLU 28 1HB GLU 28 1.440 19.336 8.933
180 1HG GLU 28 2HG GLU 28 2.269 21.563 10.481
181 2HG GLU 28 1HG GLU 28 2.397 22.034 8.785
182 H ASN 29 H ASN 29 1.725 17.207 10.619
183 HA ASN 29 HA ASN 29 -0.230 17.962 12.376
184 1HB ASN 29 2HB ASN 29 -0.106 15.733 11.357
185 2HB ASN 29 1HB ASN 29 1.267 15.333 12.391
186 1HD2 ASN 29 2HD2 ASN 29 -0.641 14.733 15.265
187 2HD2 ASN 29 1HD2 ASN 29 0.931 14.983 14.589
188 H GLY 30 H GLY 30 3.099 17.073 13.133
189 1HA GLY 30 2HA GLY 30 4.089 18.394 14.998
190 2HA GLY 30 1HA GLY 30 2.651 17.945 15.907
191 H ASN 31 H ASN 31 4.280 15.757 13.720
192 HA ASN 31 HA ASN 31 5.553 14.336 15.950
193 1HB ASN 31 2HB ASN 31 3.163 13.468 14.549
194 2HB ASN 31 1HB ASN 31 4.476 12.302 14.388
195 1HD2 ASN 31 2HD2 ASN 31 2.671 12.950 17.978
196 2HD2 ASN 31 1HD2 ASN 31 2.348 13.941 16.600
197 H THR 32 H THR 32 6.392 12.107 14.610
198 HA THR 32 HA THR 32 7.721 13.034 12.164
199 HB THR 32 HB THR 32 9.133 13.369 14.319
200 HG1 THR 32 HG1 THR 32 10.318 13.638 12.582
201 1HG2 THR 32 2HG2 THR 32 8.679 11.078 15.197
202 2HG2 THR 32 1HG2 THR 32 9.612 10.424 13.850
203 3HG2 THR 32 3HG2 THR 32 10.397 11.452 15.050
204 H VAL 33 H VAL 33 7.858 11.497 10.649
205 HA VAL 33 HA VAL 33 7.286 8.706 11.434
206 HB VAL 33 HB VAL 33 6.596 9.670 8.713
207 1HG1 VAL 33 3HG1 VAL 33 5.911 7.478 10.522
208 2HG1 VAL 33 2HG1 VAL 33 4.520 8.167 9.683
209 3HG1 VAL 33 1HG1 VAL 33 5.890 7.545 8.759
210 1HG2 VAL 33 2HG2 VAL 33 5.225 10.553 11.220
211 2HG2 VAL 33 1HG2 VAL 33 5.517 11.442 9.724
212 3HG2 VAL 33 3HG2 VAL 33 4.255 10.210 9.785
213 H LYS 34 H LYS 34 7.841 7.343 9.254
214 HA LYS 34 HA LYS 34 10.624 8.085 8.597
215 1HB LYS 34 2HB LYS 34 9.323 5.517 9.304
216 2HB LYS 34 1HB LYS 34 10.556 5.459 8.045
217 1HG LYS 34 2HG LYS 34 12.224 6.293 9.484
218 2HG LYS 34 1HG LYS 34 11.043 6.868 10.657
219 1HD LYS 34 2HD LYS 34 10.830 4.831 11.637
220 2HD LYS 34 1HD LYS 34 10.969 3.968 10.108
221 1HE LYS 34 2HE LYS 34 13.286 5.251 11.563
222 2HE LYS 34 1HE LYS 34 12.868 3.544 11.668
223 1HZ LYS 34 1HZ LYS 34 12.981 3.837 9.043
224 2HZ LYS 34 3HZ LYS 34 14.099 5.030 9.493
225 3HZ LYS 34 2HZ LYS 34 14.333 3.421 9.984
226 H ARG 35 H ARG 35 11.101 8.398 6.513
227 HA ARG 35 HA ARG 35 9.128 7.573 4.475
228 1HB ARG 35 2HB ARG 35 10.822 10.046 4.711
229 2HB ARG 35 1HB ARG 35 10.165 9.526 3.162
230 1HG ARG 35 2HG ARG 35 7.988 9.955 3.785
231 2HG ARG 35 1HG ARG 35 8.317 9.709 5.498
232 1HD ARG 35 2HD ARG 35 9.706 11.850 5.382
233 2HD ARG 35 1HD ARG 35 8.964 12.116 3.804
234 HE ARG 35 HE ARG 35 6.962 11.583 5.737
235 1HH1 ARG 35 1HH2 ARG 35 9.178 14.010 4.595
236 2HH1 ARG 35 2HH2 ARG 35 8.263 15.336 5.230
237 1HH2 ARG 35 2HH1 ARG 35 5.775 13.319 6.636
238 2HH2 ARG 35 1HH1 ARG 35 6.326 14.943 6.393
239 H CYS 36 H CYS 36 10.504 7.936 2.206
240 HA CYS 36 HA CYS 36 12.747 6.038 2.467
241 1HB CYS 36 2HB CYS 36 10.576 5.587 1.067
242 2HB CYS 36 1HB CYS 36 11.367 6.605 -0.119
243 H ASP 37 HN ASP 37 14.684 6.446 1.502
244 HA ASP 37 HA ASP 37 15.344 9.207 1.023
245 1HB ASP 37 2HB ASP 37 16.824 6.637 1.265
246 2HB ASP 37 1HB ASP 37 17.609 7.956 0.393
No H/Q in entry = 246