NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
3345 |
1dl0   |
4685 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ALA 1 HT1 ALA 1 -0.159 1.321 -2.048
2 2H ALA 1 HT2 ALA 1 -0.337 -0.094 -1.123
3 3H ALA 1 HT3 ALA 1 0.845 -0.015 -2.341
4 HA ALA 1 HA ALA 1 1.995 0.251 -0.317
5 1HB ALA 1 HB1 ALA 1 2.493 2.846 -0.479
6 2HB ALA 1 HB2 ALA 1 1.518 2.725 -1.943
7 3HB ALA 1 HB3 ALA 1 2.987 1.762 -1.779
8 H ILE 2 HN ILE 2 2.215 1.441 1.740
9 HA ILE 2 HA ILE 2 -0.278 1.627 3.157
10 HB ILE 2 HB ILE 2 1.835 1.022 4.268
11 1HG1 ILE 2 HG12 ILE 2 1.684 2.691 6.196
12 2HG1 ILE 2 HG11 ILE 2 0.478 3.548 5.239
13 1HG2 ILE 2 HG21 ILE 2 3.021 2.926 2.796
14 2HG2 ILE 2 HG22 ILE 2 3.705 2.361 4.320
15 3HG2 ILE 2 HG23 ILE 2 2.767 3.854 4.274
16 1HD1 ILE 2 HD11 ILE 2 -0.953 2.146 6.358
17 2HD1 ILE 2 HD12 ILE 2 0.286 0.917 6.613
18 3HD1 ILE 2 HD13 ILE 2 -0.517 1.048 5.048
19 H CYS 3 HN CYS 3 -1.361 3.485 3.936
20 HA CYS 3 HA CYS 3 -0.580 6.051 2.629
21 1HB CYS 3 HB2 CYS 3 -3.031 6.561 2.594
22 2HB CYS 3 HB1 CYS 3 -2.582 5.213 1.559
23 H THR 4 HN THR 4 -1.816 7.929 3.831
24 HA THR 4 HA THR 4 -0.986 7.783 6.636
25 HB THR 4 HB THR 4 -2.301 10.013 5.047
26 HG1 THR 4 HG1 THR 4 -0.286 9.620 4.267
27 1HG2 THR 4 HG21 THR 4 -2.511 11.111 7.001
28 2HG2 THR 4 HG22 THR 4 -0.771 10.974 7.246
29 3HG2 THR 4 HG23 THR 4 -1.850 9.728 7.873
30 H GLY 5 HN GLY 5 -4.043 9.080 5.294
31 1HA GLY 5 HA2 GLY 5 -6.092 7.617 5.950
32 2HA GLY 5 HA1 GLY 5 -5.458 7.802 7.583
33 H ALA 6 HN ALA 6 -7.978 8.777 6.181
34 HA ALA 6 HA ALA 6 -8.011 11.561 5.812
35 1HB ALA 6 HB1 ALA 6 -10.358 10.648 7.293
36 2HB ALA 6 HB2 ALA 6 -9.936 9.556 5.977
37 3HB ALA 6 HB3 ALA 6 -10.237 11.260 5.644
38 H ASP 7 HN ASP 7 -8.922 13.206 7.309
39 HA ASP 7 HA ASP 7 -8.644 14.503 9.232
40 1HB ASP 7 HB2 ASP 7 -9.597 11.830 10.122
41 2HB ASP 7 HB1 ASP 7 -9.046 12.945 11.369
42 H ARG 8 HN ARG 8 -6.200 13.022 8.173
43 HA ARG 8 HA ARG 8 -4.573 13.275 10.668
44 1HB ARG 8 HB2 ARG 8 -5.010 10.897 9.188
45 2HB ARG 8 HB1 ARG 8 -3.373 11.413 8.797
46 1HG ARG 8 HG2 ARG 8 -2.656 10.642 10.786
47 2HG ARG 8 HG1 ARG 8 -3.734 11.762 11.615
48 1HD ARG 8 HD2 ARG 8 -5.591 10.089 11.313
49 2HD ARG 8 HD1 ARG 8 -4.397 8.957 10.677
50 HE ARG 8 HE ARG 8 -4.757 9.673 13.476
51 1HH1 ARG 8 HH21 ARG 8 -2.466 8.579 11.070
52 2HH1 ARG 8 HH22 ARG 8 -1.440 7.830 12.242
53 1HH2 ARG 8 HH11 ARG 8 -3.400 8.690 14.959
54 2HH2 ARG 8 HH12 ARG 8 -1.961 7.890 14.421
55 HA PRO 9 HA PRO 9 -2.050 15.953 8.200
56 1HB PRO 9 HB2 PRO 9 0.404 15.583 9.340
57 2HB PRO 9 HB1 PRO 9 -0.908 16.481 10.117
58 1HG PRO 9 HG2 PRO 9 0.116 13.760 10.696
59 2HG PRO 9 HG1 PRO 9 -0.621 14.946 11.783
60 1HD PRO 9 HD2 PRO 9 -1.913 12.704 10.712
61 2HD PRO 9 HD1 PRO 9 -2.717 14.106 11.445
62 H CYS 10 HN CYS 10 -1.336 15.643 6.137
63 HA CYS 10 HA CYS 10 -0.621 13.186 4.973
64 1HB CYS 10 HB2 CYS 10 0.231 15.978 4.138
65 2HB CYS 10 HB1 CYS 10 0.334 14.542 3.119
66 H ALA 11 HN ALA 11 1.619 12.744 3.943
67 HA ALA 11 HA ALA 11 3.800 13.492 5.847
68 1HB ALA 11 HB1 ALA 11 4.636 11.062 5.251
69 2HB ALA 11 HB2 ALA 11 2.931 10.780 4.901
70 3HB ALA 11 HB3 ALA 11 3.427 11.292 6.514
71 H ALA 12 HN ALA 12 5.968 13.330 4.889
72 HA ALA 12 HA ALA 12 6.267 14.577 2.394
73 1HB ALA 12 HB1 ALA 12 8.237 12.637 3.635
74 2HB ALA 12 HB2 ALA 12 8.058 14.321 4.126
75 3HB ALA 12 HB3 ALA 12 8.607 13.932 2.496
76 H CYS 13 HN CYS 13 7.083 11.129 2.947
77 HA CYS 13 HA CYS 13 7.299 10.350 0.265
78 1HB CYS 13 HB2 CYS 13 6.703 8.046 1.069
79 2HB CYS 13 HB1 CYS 13 7.945 8.835 2.038
80 H CYS 14 HN CYS 14 4.271 10.773 2.126
81 HA CYS 14 HA CYS 14 3.213 8.618 0.370
82 1HB CYS 14 HB2 CYS 14 2.879 9.125 3.331
83 2HB CYS 14 HB1 CYS 14 2.052 7.842 2.452
84 HA PRO 15 HA PRO 15 -0.320 11.325 -0.180
85 1HB PRO 15 HB2 PRO 15 -1.793 9.647 -1.744
86 2HB PRO 15 HB1 PRO 15 -0.387 10.538 -2.343
87 1HG PRO 15 HG2 PRO 15 -0.680 7.666 -1.785
88 2HG PRO 15 HG1 PRO 15 0.474 8.499 -2.835
89 1HD PRO 15 HD2 PRO 15 0.947 7.470 -0.204
90 2HD PRO 15 HD1 PRO 15 2.072 8.391 -1.226
91 H CYS 16 HN CYS 16 -2.776 11.139 0.149
92 HA CYS 16 HA CYS 16 -3.304 9.828 2.681
93 1HB CYS 16 HB2 CYS 16 -5.310 11.060 0.775
94 2HB CYS 16 HB1 CYS 16 -5.538 10.753 2.493
95 H CYS 17 HN CYS 17 -5.086 8.252 2.981
96 HA CYS 17 HA CYS 17 -4.807 5.900 1.427
97 1HB CYS 17 HB2 CYS 17 -7.059 6.839 3.222
98 2HB CYS 17 HB1 CYS 17 -6.871 5.191 2.660
99 HA PRO 18 HA PRO 18 -7.506 6.452 -2.058
100 1HB PRO 18 HB2 PRO 18 -8.855 4.069 -2.190
101 2HB PRO 18 HB1 PRO 18 -7.162 4.263 -2.671
102 1HG PRO 18 HG2 PRO 18 -8.298 3.091 -0.177
103 2HG PRO 18 HG1 PRO 18 -6.864 2.610 -1.100
104 1HD PRO 18 HD2 PRO 18 -6.751 4.063 1.226
105 2HD PRO 18 HD1 PRO 18 -5.505 4.132 -0.029
106 H GLY 19 HN GLY 19 -9.067 7.959 -1.703
107 1HA GLY 19 HA2 GLY 19 -11.639 8.019 -1.583
108 2HA GLY 19 HA1 GLY 19 -11.424 7.244 -0.008
109 H THR 20 HN THR 20 -9.063 8.628 0.717
110 HA THR 20 HA THR 20 -10.182 11.292 1.410
111 HB THR 20 HB THR 20 -8.452 11.312 3.161
112 HG1 THR 20 HG1 THR 20 -7.005 9.616 3.312
113 1HG2 THR 20 HG21 THR 20 -9.105 9.035 4.261
114 2HG2 THR 20 HG22 THR 20 -10.158 8.853 2.859
115 3HG2 THR 20 HG23 THR 20 -10.372 10.222 3.949
116 H SER 21 HN SER 21 -8.780 13.184 1.121
117 HA SER 21 HA SER 21 -6.556 12.747 -0.831
118 1HB SER 21 HB2 SER 21 -8.004 15.264 -1.238
119 2HB SER 21 HB1 SER 21 -7.491 14.060 -2.411
120 HG SER 21 HG SER 21 -9.795 14.028 -0.755
121 H CYS 22 HN CYS 22 -4.831 14.249 -0.713
122 HA CYS 22 HA CYS 22 -4.524 15.545 1.894
123 1HB CYS 22 HB2 CYS 22 -2.662 14.337 0.658
124 2HB CYS 22 HB1 CYS 22 -2.626 15.697 -0.458
125 H LYS 23 HN LYS 23 -4.781 17.649 2.280
126 HA LYS 23 HA LYS 23 -4.909 19.582 0.036
127 1HB LYS 23 HB2 LYS 23 -6.967 20.605 1.077
128 2HB LYS 23 HB1 LYS 23 -7.232 19.013 0.369
129 1HG LYS 23 HG2 LYS 23 -6.656 18.170 2.810
130 2HG LYS 23 HG1 LYS 23 -7.131 19.807 3.259
131 1HD LYS 23 HD2 LYS 23 -9.191 18.757 3.358
132 2HD LYS 23 HD1 LYS 23 -9.195 19.275 1.673
133 1HE LYS 23 HE2 LYS 23 -8.087 16.584 2.470
134 2HE LYS 23 HE1 LYS 23 -9.810 16.807 2.170
135 1HZ LYS 23 HZ1 LYS 23 -7.559 16.973 0.301
136 2HZ LYS 23 HZ2 LYS 23 -8.913 17.959 0.015
137 3HZ LYS 23 HZ3 LYS 23 -9.089 16.272 0.092
138 H ALA 24 HN ALA 24 -3.633 21.286 0.539
139 HA ALA 24 HA ALA 24 -2.533 21.599 3.211
140 1HB ALA 24 HB1 ALA 24 -2.341 23.284 0.701
141 2HB ALA 24 HB2 ALA 24 -1.126 22.180 1.344
142 3HB ALA 24 HB3 ALA 24 -1.495 23.678 2.198
143 H GLU 25 HN GLU 25 -2.694 23.709 4.407
144 HA GLU 25 HA GLU 25 -5.331 24.996 4.031
145 1HB GLU 25 HB2 GLU 25 -4.243 23.576 6.350
146 2HB GLU 25 HB1 GLU 25 -4.789 25.203 6.749
147 1HG GLU 25 HG2 GLU 25 -6.560 23.504 5.038
148 2HG GLU 25 HG1 GLU 25 -6.481 23.150 6.764
149 H SER 26 HN SER 26 -5.282 27.067 5.592
150 HA SER 26 HA SER 26 -3.252 28.813 4.498
151 1HB SER 26 HB2 SER 26 -5.756 29.141 5.701
152 2HB SER 26 HB1 SER 26 -4.635 29.886 6.835
153 HG SER 26 HG SER 26 -3.827 31.129 5.124
154 H ASN 27 HN ASN 27 -3.684 27.112 7.549
155 HA ASN 27 HA ASN 27 -1.771 28.475 9.123
156 1HB ASN 27 HB2 ASN 27 -1.577 26.289 10.366
157 2HB ASN 27 HB1 ASN 27 -3.229 26.866 10.162
158 1HD2 ASN 27 HD21 ASN 27 -4.001 24.600 10.331
159 2HD2 ASN 27 HD22 ASN 27 -3.833 23.540 9.017
160 H GLY 28 HN GLY 28 -1.284 26.416 6.410
161 1HA GLY 28 HA2 GLY 28 0.896 26.445 5.291
162 2HA GLY 28 HA1 GLY 28 1.653 26.562 6.879
163 H VAL 29 HN VAL 29 -0.432 24.424 7.776
164 HA VAL 29 HA VAL 29 1.230 22.117 6.908
165 HB VAL 29 HB VAL 29 -0.829 22.241 9.129
166 1HG1 VAL 29 HG11 VAL 29 0.671 20.269 9.903
167 2HG1 VAL 29 HG12 VAL 29 1.248 20.244 8.237
168 3HG1 VAL 29 HG13 VAL 29 -0.461 19.975 8.582
169 1HG2 VAL 29 HG21 VAL 29 0.984 23.835 9.573
170 2HG2 VAL 29 HG22 VAL 29 2.186 22.594 9.217
171 3HG2 VAL 29 HG23 VAL 29 1.147 22.435 10.634
172 H SER 30 HN SER 30 0.281 20.245 6.053
173 HA SER 30 HA SER 30 -2.465 20.671 4.980
174 1HB SER 30 HB2 SER 30 -0.300 18.867 3.884
175 2HB SER 30 HB1 SER 30 -1.836 19.249 3.116
176 HG SER 30 HG SER 30 0.280 20.486 2.626
177 H TYR 31 HN TYR 31 -3.983 18.996 5.209
178 HA TYR 31 HA TYR 31 -3.124 16.535 6.635
179 1HB TYR 31 HB2 TYR 31 -5.566 18.191 7.312
180 2HB TYR 31 HB1 TYR 31 -5.089 16.691 8.086
181 HD1 TYR 31 HD1 TYR 31 -4.119 20.231 7.543
182 HD2 TYR 31 HD2 TYR 31 -3.397 16.639 9.784
183 HE1 TYR 31 HE1 TYR 31 -2.685 21.502 9.117
184 HE2 TYR 31 HE2 TYR 31 -1.962 17.910 11.358
185 HH TYR 31 HH TYR 31 -0.641 19.979 11.377
186 H CYS 32 HN CYS 32 -4.646 14.753 6.307
187 HA CYS 32 HA CYS 32 -5.912 14.852 3.657
188 1HB CYS 32 HB2 CYS 32 -5.822 12.611 5.678
189 2HB CYS 32 HB1 CYS 32 -6.376 12.468 4.018
190 H ARG 33 HN ARG 33 -8.171 14.355 3.366
191 HA ARG 33 HA ARG 33 -9.929 14.411 5.707
192 1HB ARG 33 HB2 ARG 33 -9.313 16.814 4.346
193 2HB ARG 33 HB1 ARG 33 -10.916 16.350 3.774
194 1HG ARG 33 HG2 ARG 33 -11.309 17.637 5.729
195 2HG ARG 33 HG1 ARG 33 -11.498 15.960 6.243
196 1HD ARG 33 HD2 ARG 33 -9.704 16.068 7.627
197 2HD ARG 33 HD1 ARG 33 -8.730 16.910 6.427
198 HE ARG 33 HE ARG 33 -10.253 18.156 8.568
199 1HH1 ARG 33 HH21 ARG 33 -8.983 18.590 5.338
200 2HH1 ARG 33 HH22 ARG 33 -8.947 20.313 5.476
201 1HH2 ARG 33 HH11 ARG 33 -10.189 20.388 8.703
202 2HH2 ARG 33 HH12 ARG 33 -9.621 21.322 7.359
203 H LYS 34 HN LYS 34 -11.558 13.002 5.257
204 HA LYS 34 HA LYS 34 -11.665 11.503 2.873
205 1HB LYS 34 HB2 LYS 34 -13.907 10.747 3.642
206 2HB LYS 34 HB1 LYS 34 -12.721 10.725 4.946
207 1HG LYS 34 HG2 LYS 34 -14.187 13.279 4.640
208 2HG LYS 34 HG1 LYS 34 -15.178 11.907 5.138
209 1HD LYS 34 HD2 LYS 34 -13.034 11.543 6.758
210 2HD LYS 34 HD1 LYS 34 -13.002 13.300 6.602
211 1HE LYS 34 HE2 LYS 34 -15.105 13.560 7.580
212 2HE LYS 34 HE1 LYS 34 -15.603 11.915 7.183
213 1HZ LYS 34 HZ1 LYS 34 -15.154 11.984 9.493
214 2HZ LYS 34 HZ2 LYS 34 -13.662 12.762 9.258
215 3HZ LYS 34 HZ3 LYS 34 -13.865 11.146 8.775
216 H ASP 35 HN ASP 35 -13.030 11.565 1.059
217 HA ASP 35 HA ASP 35 -13.547 14.092 -0.096
218 1HB ASP 35 HB2 ASP 35 -14.537 11.313 -0.710
219 2HB ASP 35 HB1 ASP 35 -15.099 12.699 -1.644
220 H GLU 36 HN GLU 36 -15.663 15.041 -0.667
221 HA GLU 36 HA GLU 36 -17.723 14.523 1.443
222 1HB GLU 36 HB2 GLU 36 -16.838 17.099 0.124
223 2HB GLU 36 HB1 GLU 36 -18.348 16.968 1.026
224 1HG GLU 36 HG2 GLU 36 -15.910 15.919 2.369
225 2HG GLU 36 HG1 GLU 36 -16.019 17.671 2.192
226 HA PRO 37 HA PRO 37 -20.620 14.001 -1.901
227 1HB PRO 37 HB2 PRO 37 -22.938 14.705 -0.646
228 2HB PRO 37 HB1 PRO 37 -22.056 13.214 -0.286
229 1HG PRO 37 HG2 PRO 37 -22.357 15.638 1.342
230 2HG PRO 37 HG1 PRO 37 -21.902 14.001 1.833
231 1HD PRO 37 HD2 PRO 37 -20.170 16.264 1.424
232 2HD PRO 37 HD1 PRO 37 -19.715 14.614 1.902
Start of MODEL 2
1 1H ALA 1 HT1 ALA 1 -2.308 -0.493 0.496
2 2H ALA 1 HT2 ALA 1 -1.088 -1.187 1.453
3 3H ALA 1 HT3 ALA 1 -0.903 -1.102 -0.234
4 HA ALA 1 HA ALA 1 0.441 0.593 0.763
5 1HB ALA 1 HB1 ALA 1 -0.848 1.066 -1.363
6 2HB ALA 1 HB2 ALA 1 -0.428 2.502 -0.429
7 3HB ALA 1 HB3 ALA 1 -2.069 1.859 -0.368
8 H ILE 2 HN ILE 2 0.745 1.321 2.803
9 HA ILE 2 HA ILE 2 -1.449 1.749 4.650
10 HB ILE 2 HB ILE 2 0.787 0.986 5.396
11 1HG1 ILE 2 HG12 ILE 2 0.305 3.731 6.561
12 2HG1 ILE 2 HG11 ILE 2 -0.819 2.401 6.845
13 1HG2 ILE 2 HG21 ILE 2 2.196 2.219 3.845
14 2HG2 ILE 2 HG22 ILE 2 2.632 2.680 5.491
15 3HG2 ILE 2 HG23 ILE 2 1.641 3.757 4.507
16 1HD1 ILE 2 HD11 ILE 2 1.238 1.044 7.583
17 2HD1 ILE 2 HD12 ILE 2 0.691 2.315 8.677
18 3HD1 ILE 2 HD13 ILE 2 2.090 2.587 7.638
19 H CYS 3 HN CYS 3 -1.947 3.837 5.676
20 HA CYS 3 HA CYS 3 -1.446 6.138 3.844
21 1HB CYS 3 HB2 CYS 3 -3.622 7.025 4.697
22 2HB CYS 3 HB1 CYS 3 -3.787 5.524 3.796
23 H THR 4 HN THR 4 -1.893 8.287 5.168
24 HA THR 4 HA THR 4 0.048 8.282 7.355
25 HB THR 4 HB THR 4 -1.663 10.522 6.222
26 HG1 THR 4 HG1 THR 4 -0.304 10.279 4.655
27 1HG2 THR 4 HG21 THR 4 -0.959 11.599 8.091
28 2HG2 THR 4 HG22 THR 4 0.609 11.646 7.288
29 3HG2 THR 4 HG23 THR 4 0.254 10.371 8.453
30 H GLY 5 HN GLY 5 -3.176 9.835 7.292
31 1HA GLY 5 HA2 GLY 5 -4.821 8.679 8.960
32 2HA GLY 5 HA1 GLY 5 -3.529 8.982 10.119
33 H ALA 6 HN ALA 6 -6.365 10.081 9.701
34 HA ALA 6 HA ALA 6 -6.348 12.797 8.980
35 1HB ALA 6 HB1 ALA 6 -7.936 12.154 11.393
36 2HB ALA 6 HB2 ALA 6 -8.234 11.125 9.993
37 3HB ALA 6 HB3 ALA 6 -8.443 12.871 9.863
38 H ASP 7 HN ASP 7 -6.415 14.695 10.422
39 HA ASP 7 HA ASP 7 -5.312 16.132 11.894
40 1HB ASP 7 HB2 ASP 7 -6.058 13.719 13.462
41 2HB ASP 7 HB1 ASP 7 -4.968 14.870 14.228
42 H ARG 8 HN ARG 8 -3.622 14.224 10.221
43 HA ARG 8 HA ARG 8 -1.123 14.506 11.839
44 1HB ARG 8 HB2 ARG 8 -2.317 12.079 10.978
45 2HB ARG 8 HB1 ARG 8 -0.920 12.331 9.937
46 1HG ARG 8 HG2 ARG 8 0.520 11.853 11.609
47 2HG ARG 8 HG1 ARG 8 -0.304 12.939 12.726
48 1HD ARG 8 HD2 ARG 8 -2.120 11.041 12.792
49 2HD ARG 8 HD1 ARG 8 -0.805 10.023 12.205
50 HE ARG 8 HE ARG 8 -1.051 11.121 14.888
51 1HH1 ARG 8 HH21 ARG 8 1.200 10.057 12.432
52 2HH1 ARG 8 HH22 ARG 8 2.439 9.695 13.582
53 1HH2 ARG 8 HH11 ARG 8 0.581 10.641 16.341
54 2HH2 ARG 8 HH12 ARG 8 2.095 10.021 15.772
55 HA PRO 9 HA PRO 9 0.448 16.576 8.251
56 1HB PRO 9 HB2 PRO 9 3.103 15.950 8.375
57 2HB PRO 9 HB1 PRO 9 2.315 17.089 9.477
58 1HG PRO 9 HG2 PRO 9 3.203 14.301 9.962
59 2HG PRO 9 HG1 PRO 9 3.105 15.667 11.083
60 1HD PRO 9 HD2 PRO 9 1.264 13.567 10.929
61 2HD PRO 9 HD1 PRO 9 0.973 15.135 11.709
62 H CYS 10 HN CYS 10 0.280 16.026 6.118
63 HA CYS 10 HA CYS 10 0.176 13.407 5.096
64 1HB CYS 10 HB2 CYS 10 1.013 15.917 3.607
65 2HB CYS 10 HB1 CYS 10 0.414 14.431 2.872
66 H ALA 11 HN ALA 11 1.761 12.502 3.399
67 HA ALA 11 HA ALA 11 4.589 13.062 4.189
68 1HB ALA 11 HB1 ALA 11 3.230 10.371 3.897
69 2HB ALA 11 HB2 ALA 11 3.995 11.033 5.341
70 3HB ALA 11 HB3 ALA 11 4.981 10.569 3.954
71 H ALA 12 HN ALA 12 6.156 12.517 2.530
72 HA ALA 12 HA ALA 12 5.530 13.339 -0.080
73 1HB ALA 12 HB1 ALA 12 7.775 11.823 1.161
74 2HB ALA 12 HB2 ALA 12 7.806 13.332 0.249
75 3HB ALA 12 HB3 ALA 12 7.657 11.792 -0.598
76 H CYS 13 HN CYS 13 6.284 9.939 0.779
77 HA CYS 13 HA CYS 13 5.432 8.733 -1.600
78 1HB CYS 13 HB2 CYS 13 5.049 6.678 -0.225
79 2HB CYS 13 HB1 CYS 13 6.594 7.458 0.109
80 H CYS 14 HN CYS 14 3.376 9.859 1.077
81 HA CYS 14 HA CYS 14 1.483 7.718 0.251
82 1HB CYS 14 HB2 CYS 14 2.379 8.617 2.995
83 2HB CYS 14 HB1 CYS 14 1.169 7.371 2.701
84 HA PRO 15 HA PRO 15 -1.592 10.976 0.567
85 1HB PRO 15 HB2 PRO 15 -3.746 9.467 -0.153
86 2HB PRO 15 HB1 PRO 15 -2.546 10.054 -1.313
87 1HG PRO 15 HG2 PRO 15 -3.000 7.326 -0.315
88 2HG PRO 15 HG1 PRO 15 -2.208 7.866 -1.801
89 1HD PRO 15 HD2 PRO 15 -0.951 6.969 0.611
90 2HD PRO 15 HD1 PRO 15 -0.162 7.607 -0.849
91 H CYS 16 HN CYS 16 -3.767 11.246 1.738
92 HA CYS 16 HA CYS 16 -3.516 10.284 4.456
93 1HB CYS 16 HB2 CYS 16 -5.934 11.603 3.198
94 2HB CYS 16 HB1 CYS 16 -5.535 11.534 4.911
95 H CYS 17 HN CYS 17 -5.192 9.015 5.577
96 HA CYS 17 HA CYS 17 -5.772 6.522 4.361
97 1HB CYS 17 HB2 CYS 17 -7.093 7.921 6.702
98 2HB CYS 17 HB1 CYS 17 -7.243 6.210 6.348
99 HA PRO 18 HA PRO 18 -9.508 7.172 2.051
100 1HB PRO 18 HB2 PRO 18 -11.030 4.989 2.707
101 2HB PRO 18 HB1 PRO 18 -9.629 4.918 1.626
102 1HG PRO 18 HG2 PRO 18 -9.858 4.100 4.482
103 2HG PRO 18 HG1 PRO 18 -8.923 3.366 3.168
104 1HD PRO 18 HD2 PRO 18 -7.820 4.969 5.110
105 2HD PRO 18 HD1 PRO 18 -7.124 4.768 3.494
106 H GLY 19 HN GLY 19 -10.493 8.970 2.908
107 1HA GLY 19 HA2 GLY 19 -12.895 9.339 3.892
108 2HA GLY 19 HA1 GLY 19 -12.153 8.704 5.367
109 H THR 20 HN THR 20 -9.598 9.819 4.988
110 HA THR 20 HA THR 20 -10.126 12.679 5.620
111 HB THR 20 HB THR 20 -7.880 12.630 6.635
112 HG1 THR 20 HG1 THR 20 -6.614 10.830 6.483
113 1HG2 THR 20 HG21 THR 20 -9.930 10.591 7.340
114 2HG2 THR 20 HG22 THR 20 -9.292 11.924 8.300
115 3HG2 THR 20 HG23 THR 20 -8.357 10.440 8.123
116 H SER 21 HN SER 21 -8.719 14.297 4.590
117 HA SER 21 HA SER 21 -7.410 13.338 2.080
118 1HB SER 21 HB2 SER 21 -8.669 15.981 1.838
119 2HB SER 21 HB1 SER 21 -8.700 14.615 0.733
120 HG SER 21 HG SER 21 -10.709 14.557 1.425
121 H CYS 22 HN CYS 22 -5.666 14.673 1.318
122 HA CYS 22 HA CYS 22 -4.278 16.096 3.469
123 1HB CYS 22 HB2 CYS 22 -3.128 14.596 1.781
124 2HB CYS 22 HB1 CYS 22 -3.414 15.848 0.579
125 H LYS 23 HN LYS 23 -4.234 18.229 3.715
126 HA LYS 23 HA LYS 23 -5.014 20.020 1.483
127 1HB LYS 23 HB2 LYS 23 -6.481 21.312 3.062
128 2HB LYS 23 HB1 LYS 23 -7.090 19.699 2.696
129 1HG LYS 23 HG2 LYS 23 -5.660 19.052 4.850
130 2HG LYS 23 HG1 LYS 23 -5.916 20.752 5.239
131 1HD LYS 23 HD2 LYS 23 -7.834 19.886 6.173
132 2HD LYS 23 HD1 LYS 23 -8.423 20.138 4.530
133 1HE LYS 23 HE2 LYS 23 -7.110 17.539 5.323
134 2HE LYS 23 HE1 LYS 23 -8.826 17.815 5.618
135 1HZ LYS 23 HZ1 LYS 23 -8.939 16.956 3.542
136 2HZ LYS 23 HZ2 LYS 23 -7.398 17.509 3.088
137 3HZ LYS 23 HZ3 LYS 23 -8.717 18.581 3.111
138 H ALA 24 HN ALA 24 -3.601 21.701 1.367
139 HA ALA 24 HA ALA 24 -1.481 22.001 3.309
140 1HB ALA 24 HB1 ALA 24 -0.614 23.643 1.871
141 2HB ALA 24 HB2 ALA 24 -2.213 24.132 1.311
142 3HB ALA 24 HB3 ALA 24 -1.515 22.607 0.765
143 H GLU 25 HN GLU 25 -1.066 24.102 4.472
144 HA GLU 25 HA GLU 25 -3.578 25.447 5.265
145 1HB GLU 25 HB2 GLU 25 -1.678 23.932 6.897
146 2HB GLU 25 HB1 GLU 25 -1.942 25.562 7.511
147 1HG GLU 25 HG2 GLU 25 -4.318 25.215 7.649
148 2HG GLU 25 HG1 GLU 25 -4.203 23.690 6.769
149 H SER 26 HN SER 26 -2.854 27.479 6.661
150 HA SER 26 HA SER 26 -1.366 29.194 4.867
151 1HB SER 26 HB2 SER 26 -3.199 29.566 6.943
152 2HB SER 26 HB1 SER 26 -1.707 30.263 7.564
153 HG SER 26 HG SER 26 -3.054 30.856 5.137
154 H ASN 27 HN ASN 27 -0.629 27.469 7.845
155 HA ASN 27 HA ASN 27 1.789 28.760 8.547
156 1HB ASN 27 HB2 ASN 27 2.381 26.553 9.620
157 2HB ASN 27 HB1 ASN 27 0.803 27.188 10.079
158 1HD2 ASN 27 HD21 ASN 27 -0.147 25.088 10.485
159 2HD2 ASN 27 HD22 ASN 27 -0.452 23.980 9.236
160 H GLY 28 HN GLY 28 1.108 26.714 5.866
161 1HA GLY 28 HA2 GLY 28 2.684 26.697 3.986
162 2HA GLY 28 HA1 GLY 28 4.000 26.750 5.157
163 H VAL 29 HN VAL 29 2.359 24.675 6.788
164 HA VAL 29 HA VAL 29 3.436 22.326 5.318
165 HB VAL 29 HB VAL 29 2.453 22.495 8.180
166 1HG1 VAL 29 HG11 VAL 29 2.474 20.227 7.221
167 2HG1 VAL 29 HG12 VAL 29 3.750 20.401 8.425
168 3HG1 VAL 29 HG13 VAL 29 4.146 20.453 6.707
169 1HG2 VAL 29 HG21 VAL 29 5.269 22.672 7.058
170 2HG2 VAL 29 HG22 VAL 29 4.857 22.592 8.771
171 3HG2 VAL 29 HG23 VAL 29 4.377 23.993 7.814
172 H SER 30 HN SER 30 2.143 20.470 4.980
173 HA SER 30 HA SER 30 -0.771 21.067 4.968
174 1HB SER 30 HB2 SER 30 0.793 19.061 3.331
175 2HB SER 30 HB1 SER 30 -0.932 19.374 3.187
176 HG SER 30 HG SER 30 0.935 20.576 1.889
177 H TYR 31 HN TYR 31 -2.199 19.627 5.947
178 HA TYR 31 HA TYR 31 -1.082 17.159 7.167
179 1HB TYR 31 HB2 TYR 31 -2.918 19.113 8.573
180 2HB TYR 31 HB1 TYR 31 -2.242 17.642 9.251
181 HD1 TYR 31 HD1 TYR 31 -1.466 21.061 8.082
182 HD2 TYR 31 HD2 TYR 31 0.061 17.533 9.999
183 HE1 TYR 31 HE1 TYR 31 0.556 22.315 8.779
184 HE2 TYR 31 HE2 TYR 31 2.084 18.787 10.696
185 HH TYR 31 HH TYR 31 2.694 21.203 11.113
186 H CYS 32 HN CYS 32 -2.763 15.556 7.618
187 HA CYS 32 HA CYS 32 -4.956 15.688 5.667
188 1HB CYS 32 HB2 CYS 32 -4.265 13.534 7.666
189 2HB CYS 32 HB1 CYS 32 -5.454 13.389 6.383
190 H ARG 33 HN ARG 33 -7.181 15.425 6.327
191 HA ARG 33 HA ARG 33 -7.849 15.781 9.155
192 1HB ARG 33 HB2 ARG 33 -7.647 18.038 7.451
193 2HB ARG 33 HB1 ARG 33 -9.374 17.722 7.622
194 1HG ARG 33 HG2 ARG 33 -8.807 19.143 9.444
195 2HG ARG 33 HG1 ARG 33 -8.928 17.524 10.135
196 1HD ARG 33 HD2 ARG 33 -6.714 17.451 10.643
197 2HD ARG 33 HD1 ARG 33 -6.252 18.167 9.104
198 HE ARG 33 HE ARG 33 -6.150 20.247 10.184
199 1HH1 ARG 33 HH21 ARG 33 -8.163 18.058 12.025
200 2HH1 ARG 33 HH22 ARG 33 -8.377 19.184 13.319
201 1HH2 ARG 33 HH11 ARG 33 -6.455 21.673 11.880
202 2HH2 ARG 33 HH12 ARG 33 -7.422 21.210 13.240
203 H LYS 34 HN LYS 34 -9.591 14.493 9.493
204 HA LYS 34 HA LYS 34 -10.777 12.930 7.475
205 1HB LYS 34 HB2 LYS 34 -10.895 12.931 10.184
206 2HB LYS 34 HB1 LYS 34 -12.494 13.577 9.811
207 1HG LYS 34 HG2 LYS 34 -13.205 11.631 8.843
208 2HG LYS 34 HG1 LYS 34 -11.609 11.235 8.209
209 1HD LYS 34 HD2 LYS 34 -11.831 9.638 9.890
210 2HD LYS 34 HD1 LYS 34 -10.998 10.931 10.753
211 1HE LYS 34 HE2 LYS 34 -13.966 11.085 10.707
212 2HE LYS 34 HE1 LYS 34 -13.266 9.786 11.674
213 1HZ LYS 34 HZ1 LYS 34 -12.947 12.697 11.971
214 2HZ LYS 34 HZ2 LYS 34 -11.735 11.652 12.543
215 3HZ LYS 34 HZ3 LYS 34 -13.318 11.534 13.149
216 H ASP 35 HN ASP 35 -11.725 13.846 5.732
217 HA ASP 35 HA ASP 35 -13.131 16.306 5.678
218 1HB ASP 35 HB2 ASP 35 -12.905 13.948 3.864
219 2HB ASP 35 HB1 ASP 35 -14.218 15.087 3.564
220 H GLU 36 HN GLU 36 -15.589 16.126 4.710
221 HA GLU 36 HA GLU 36 -17.208 14.158 6.176
222 1HB GLU 36 HB2 GLU 36 -17.214 17.108 6.862
223 2HB GLU 36 HB1 GLU 36 -18.552 16.031 7.269
224 1HG GLU 36 HG2 GLU 36 -16.673 14.526 8.308
225 2HG GLU 36 HG1 GLU 36 -15.732 16.018 8.311
226 HA PRO 37 HA PRO 37 -19.159 15.628 2.252
227 1HB PRO 37 HB2 PRO 37 -19.291 13.176 1.063
228 2HB PRO 37 HB1 PRO 37 -17.866 14.221 0.971
229 1HG PRO 37 HG2 PRO 37 -18.241 11.710 2.444
230 2HG PRO 37 HG1 PRO 37 -16.745 12.518 1.960
231 1HD PRO 37 HD2 PRO 37 -17.987 12.517 4.558
232 2HD PRO 37 HD1 PRO 37 -16.488 13.334 4.065
Start of MODEL 3
1 1H ALA 1 HT1 ALA 1 2.498 -1.592 1.688
2 2H ALA 1 HT2 ALA 1 3.685 -1.428 2.893
3 3H ALA 1 HT3 ALA 1 4.103 -1.254 1.256
4 HA ALA 1 HA ALA 1 3.999 0.929 1.955
5 1HB ALA 1 HB1 ALA 1 1.857 1.815 1.023
6 2HB ALA 1 HB2 ALA 1 1.233 0.166 0.967
7 3HB ALA 1 HB3 ALA 1 2.613 0.622 -0.033
8 H ILE 2 HN ILE 2 2.057 2.568 2.859
9 HA ILE 2 HA ILE 2 1.847 1.813 5.682
10 HB ILE 2 HB ILE 2 2.431 4.123 5.030
11 1HG1 ILE 2 HG12 ILE 2 -0.325 4.146 6.282
12 2HG1 ILE 2 HG11 ILE 2 1.097 3.561 7.148
13 1HG2 ILE 2 HG21 ILE 2 0.057 5.317 4.257
14 2HG2 ILE 2 HG22 ILE 2 0.029 3.796 3.366
15 3HG2 ILE 2 HG23 ILE 2 1.387 4.901 3.176
16 1HD1 ILE 2 HD11 ILE 2 2.201 5.790 6.556
17 2HD1 ILE 2 HD12 ILE 2 0.891 5.866 7.735
18 3HD1 ILE 2 HD13 ILE 2 0.600 6.339 6.061
19 H CYS 3 HN CYS 3 -0.190 1.703 6.839
20 HA CYS 3 HA CYS 3 -2.511 1.047 5.083
21 1HB CYS 3 HB2 CYS 3 -3.209 -0.496 6.925
22 2HB CYS 3 HB1 CYS 3 -1.702 -0.967 6.149
23 H THR 4 HN THR 4 -4.631 1.191 6.474
24 HA THR 4 HA THR 4 -4.761 3.929 7.491
25 HB THR 4 HB THR 4 -6.891 1.771 7.335
26 HG1 THR 4 HG1 THR 4 -6.274 3.953 5.637
27 1HG2 THR 4 HG21 THR 4 -7.931 4.425 7.183
28 2HG2 THR 4 HG22 THR 4 -6.896 4.338 8.608
29 3HG2 THR 4 HG23 THR 4 -8.236 3.208 8.422
30 H GLY 5 HN GLY 5 -6.098 0.949 8.965
31 1HA GLY 5 HA2 GLY 5 -4.949 0.322 11.193
32 2HA GLY 5 HA1 GLY 5 -5.225 2.011 11.611
33 H ALA 6 HN ALA 6 -6.301 -0.613 12.696
34 HA ALA 6 HA ALA 6 -9.026 -0.991 12.128
35 1HB ALA 6 HB1 ALA 6 -8.547 -1.163 14.990
36 2HB ALA 6 HB2 ALA 6 -7.233 -1.903 14.078
37 3HB ALA 6 HB3 ALA 6 -8.890 -2.448 13.833
38 H ASP 7 HN ASP 7 -10.884 -0.348 13.524
39 HA ASP 7 HA ASP 7 -12.326 1.355 14.218
40 1HB ASP 7 HB2 ASP 7 -9.861 1.573 15.865
41 2HB ASP 7 HB1 ASP 7 -11.026 2.887 15.985
42 H ARG 8 HN ARG 8 -10.536 1.945 11.833
43 HA ARG 8 HA ARG 8 -10.850 4.917 11.918
44 1HB ARG 8 HB2 ARG 8 -8.402 3.500 11.753
45 2HB ARG 8 HB1 ARG 8 -8.706 4.121 10.133
46 1HG ARG 8 HG2 ARG 8 -8.271 6.247 10.769
47 2HG ARG 8 HG1 ARG 8 -9.295 6.111 12.196
48 1HD ARG 8 HD2 ARG 8 -7.552 5.344 13.541
49 2HD ARG 8 HD1 ARG 8 -6.628 4.732 12.169
50 HE ARG 8 HE ARG 8 -6.926 7.626 12.111
51 1HH1 ARG 8 HH21 ARG 8 -5.067 4.967 13.418
52 2HH1 ARG 8 HH22 ARG 8 -3.659 5.940 13.661
53 1HH2 ARG 8 HH11 ARG 8 -5.082 8.847 12.444
54 2HH2 ARG 8 HH12 ARG 8 -3.665 8.113 13.117
55 HA PRO 9 HA PRO 9 -13.021 4.318 8.100
56 1HB PRO 9 HB2 PRO 9 -12.512 6.669 6.808
57 2HB PRO 9 HB1 PRO 9 -13.606 6.533 8.193
58 1HG PRO 9 HG2 PRO 9 -10.854 7.633 8.064
59 2HG PRO 9 HG1 PRO 9 -12.207 8.091 9.109
60 1HD PRO 9 HD2 PRO 9 -10.034 6.510 9.881
61 2HD PRO 9 HD1 PRO 9 -11.585 6.614 10.740
62 H CYS 10 HN CYS 10 -12.509 3.131 6.303
63 HA CYS 10 HA CYS 10 -9.875 2.595 5.429
64 1HB CYS 10 HB2 CYS 10 -12.511 2.367 3.948
65 2HB CYS 10 HB1 CYS 10 -10.988 1.725 3.335
66 H ALA 11 HN ALA 11 -9.169 3.057 3.042
67 HA ALA 11 HA ALA 11 -9.841 5.861 2.277
68 1HB ALA 11 HB1 ALA 11 -7.005 4.810 2.307
69 2HB ALA 11 HB2 ALA 11 -7.697 5.706 3.658
70 3HB ALA 11 HB3 ALA 11 -7.539 6.475 2.079
71 H ALA 12 HN ALA 12 -9.346 6.342 0.029
72 HA ALA 12 HA ALA 12 -10.109 4.395 -1.842
73 1HB ALA 12 HB1 ALA 12 -9.815 6.979 -2.087
74 2HB ALA 12 HB2 ALA 12 -9.570 5.956 -3.503
75 3HB ALA 12 HB3 ALA 12 -8.180 6.571 -2.609
76 H CYS 13 HN CYS 13 -6.754 5.634 -1.570
77 HA CYS 13 HA CYS 13 -5.493 3.690 -3.145
78 1HB CYS 13 HB2 CYS 13 -3.433 4.190 -1.812
79 2HB CYS 13 HB1 CYS 13 -4.280 5.637 -2.354
80 H CYS 14 HN CYS 14 -6.530 3.347 0.250
81 HA CYS 14 HA CYS 14 -4.276 1.423 0.505
82 1HB CYS 14 HB2 CYS 14 -5.250 3.588 2.376
83 2HB CYS 14 HB1 CYS 14 -3.936 2.475 2.741
84 HA PRO 15 HA PRO 15 -7.336 -1.191 2.499
85 1HB PRO 15 HB2 PRO 15 -5.688 -3.307 2.993
86 2HB PRO 15 HB1 PRO 15 -6.343 -2.946 1.389
87 1HG PRO 15 HG2 PRO 15 -3.597 -2.645 2.397
88 2HG PRO 15 HG1 PRO 15 -4.178 -2.792 0.733
89 1HD PRO 15 HD2 PRO 15 -3.378 -0.399 2.090
90 2HD PRO 15 HD1 PRO 15 -4.048 -0.543 0.451
91 H CYS 16 HN CYS 16 -7.474 -2.414 4.660
92 HA CYS 16 HA CYS 16 -6.539 -0.696 6.791
93 1HB CYS 16 HB2 CYS 16 -7.714 -3.477 7.035
94 2HB CYS 16 HB1 CYS 16 -7.645 -2.248 8.293
95 H CYS 17 HN CYS 17 -5.160 -1.423 8.585
96 HA CYS 17 HA CYS 17 -2.634 -2.428 7.789
97 1HB CYS 17 HB2 CYS 17 -3.966 -2.313 10.506
98 2HB CYS 17 HB1 CYS 17 -2.258 -2.615 10.264
99 HA PRO 18 HA PRO 18 -3.035 -6.854 7.901
100 1HB PRO 18 HB2 PRO 18 -0.763 -7.649 9.214
101 2HB PRO 18 HB1 PRO 18 -0.774 -7.063 7.543
102 1HG PRO 18 HG2 PRO 18 0.045 -5.654 10.038
103 2HG PRO 18 HG1 PRO 18 0.721 -5.544 8.404
104 1HD PRO 18 HD2 PRO 18 -0.959 -3.656 9.488
105 2HD PRO 18 HD1 PRO 18 -0.792 -3.935 7.748
106 H GLY 19 HN GLY 19 -4.688 -7.529 9.180
107 1HA GLY 19 HA2 GLY 19 -4.956 -8.931 11.329
108 2HA GLY 19 HA1 GLY 19 -4.356 -7.484 12.151
109 H THR 20 HN THR 20 -5.613 -5.591 10.484
110 HA THR 20 HA THR 20 -8.439 -5.811 11.400
111 HB THR 20 HB THR 20 -8.508 -3.379 11.061
112 HG1 THR 20 HG1 THR 20 -5.841 -3.623 10.124
113 1HG2 THR 20 HG21 THR 20 -7.603 -3.827 13.182
114 2HG2 THR 20 HG22 THR 20 -6.409 -2.746 12.469
115 3HG2 THR 20 HG23 THR 20 -6.111 -4.482 12.513
116 H SER 21 HN SER 21 -10.129 -5.214 9.792
117 HA SER 21 HA SER 21 -9.225 -5.530 6.960
118 1HB SER 21 HB2 SER 21 -11.837 -6.723 7.704
119 2HB SER 21 HB1 SER 21 -10.641 -7.270 6.539
120 HG SER 21 HG SER 21 -9.375 -7.999 8.260
121 H CYS 22 HN CYS 22 -10.665 -4.598 5.364
122 HA CYS 22 HA CYS 22 -12.091 -2.236 6.391
123 1HB CYS 22 HB2 CYS 22 -10.576 -2.168 4.356
124 2HB CYS 22 HB1 CYS 22 -11.797 -3.105 3.504
125 H LYS 23 HN LYS 23 -14.241 -2.058 6.475
126 HA LYS 23 HA LYS 23 -15.968 -4.002 5.050
127 1HB LYS 23 HB2 LYS 23 -17.345 -4.263 7.158
128 2HB LYS 23 HB1 LYS 23 -15.756 -5.023 7.226
129 1HG LYS 23 HG2 LYS 23 -15.031 -2.679 8.225
130 2HG LYS 23 HG1 LYS 23 -16.742 -2.563 8.627
131 1HD LYS 23 HD2 LYS 23 -15.942 -3.632 10.522
132 2HD LYS 23 HD1 LYS 23 -16.359 -5.026 9.525
133 1HE LYS 23 HE2 LYS 23 -13.606 -3.807 9.371
134 2HE LYS 23 HE1 LYS 23 -14.003 -4.965 10.640
135 1HZ LYS 23 HZ1 LYS 23 -13.293 -6.367 9.014
136 2HZ LYS 23 HZ2 LYS 23 -13.819 -5.368 7.745
137 3HZ LYS 23 HZ3 LYS 23 -14.939 -6.306 8.612
138 H ALA 24 HN ALA 24 -18.400 -3.247 5.534
139 HA ALA 24 HA ALA 24 -18.425 -0.269 5.257
140 1HB ALA 24 HB1 ALA 24 -19.125 -1.858 3.279
141 2HB ALA 24 HB2 ALA 24 -20.105 -0.437 3.642
142 3HB ALA 24 HB3 ALA 24 -20.620 -2.029 4.200
143 H GLU 25 HN GLU 25 -20.437 0.769 6.085
144 HA GLU 25 HA GLU 25 -21.672 -0.778 8.283
145 1HB GLU 25 HB2 GLU 25 -20.273 1.809 8.298
146 2HB GLU 25 HB1 GLU 25 -21.845 1.853 9.091
147 1HG GLU 25 HG2 GLU 25 -21.214 -0.035 10.517
148 2HG GLU 25 HG1 GLU 25 -19.663 -0.167 9.687
149 H SER 26 HN SER 26 -23.724 0.543 9.025
150 HA SER 26 HA SER 26 -25.533 0.591 6.766
151 1HB SER 26 HB2 SER 26 -25.796 0.349 9.536
152 2HB SER 26 HB1 SER 26 -26.553 1.897 9.175
153 HG SER 26 HG SER 26 -27.073 -0.549 7.820
154 H ASN 27 HN ASN 27 -23.850 3.038 8.666
155 HA ASN 27 HA ASN 27 -25.254 5.338 7.809
156 1HB ASN 27 HB2 ASN 27 -23.080 6.543 8.255
157 2HB ASN 27 HB1 ASN 27 -23.644 5.535 9.586
158 1HD2 ASN 27 HD21 ASN 27 -21.498 5.113 10.426
159 2HD2 ASN 27 HD22 ASN 27 -20.376 4.156 9.585
160 H GLY 28 HN GLY 28 -23.158 3.272 6.024
161 1HA GLY 28 HA2 GLY 28 -23.205 3.395 3.575
162 2HA GLY 28 HA1 GLY 28 -23.350 5.145 3.717
163 H VAL 29 HN VAL 29 -21.167 4.802 5.981
164 HA VAL 29 HA VAL 29 -18.898 5.020 4.073
165 HB VAL 29 HB VAL 29 -18.996 5.762 7.009
166 1HG1 VAL 29 HG11 VAL 29 -16.985 7.081 6.433
167 2HG1 VAL 29 HG12 VAL 29 -17.068 6.477 4.779
168 3HG1 VAL 29 HG13 VAL 29 -16.736 5.365 6.107
169 1HG2 VAL 29 HG21 VAL 29 -19.625 7.303 4.494
170 2HG2 VAL 29 HG22 VAL 29 -19.036 8.132 5.935
171 3HG2 VAL 29 HG23 VAL 29 -20.547 7.224 5.995
172 H SER 30 HN SER 30 -16.996 3.825 4.371
173 HA SER 30 HA SER 30 -17.393 1.324 5.927
174 1HB SER 30 HB2 SER 30 -15.660 2.062 3.584
175 2HB SER 30 HB1 SER 30 -15.334 0.616 4.524
176 HG SER 30 HG SER 30 -17.239 1.075 2.663
177 H TYR 31 HN TYR 31 -15.849 0.655 7.433
178 HA TYR 31 HA TYR 31 -13.530 2.421 7.976
179 1HB TYR 31 HB2 TYR 31 -15.484 1.443 10.073
180 2HB TYR 31 HB1 TYR 31 -14.037 2.389 10.374
181 HD1 TYR 31 HD1 TYR 31 -13.949 4.766 9.880
182 HD2 TYR 31 HD2 TYR 31 -17.431 2.438 8.930
183 HE1 TYR 31 HE1 TYR 31 -15.236 6.850 9.489
184 HE2 TYR 31 HE2 TYR 31 -18.717 4.521 8.538
185 HH TYR 31 HH TYR 31 -17.934 7.395 9.622
186 H CYS 32 HN CYS 32 -11.893 1.303 9.300
187 HA CYS 32 HA CYS 32 -11.843 -1.588 8.727
188 1HB CYS 32 HB2 CYS 32 -9.783 0.149 10.090
189 2HB CYS 32 HB1 CYS 32 -9.546 -1.517 9.593
190 H ARG 33 HN ARG 33 -11.446 -3.121 10.460
191 HA ARG 33 HA ARG 33 -11.895 -2.240 13.217
192 1HB ARG 33 HB2 ARG 33 -14.066 -3.159 11.638
193 2HB ARG 33 HB1 ARG 33 -13.641 -4.503 12.699
194 1HG ARG 33 HG2 ARG 33 -15.224 -3.146 13.889
195 2HG ARG 33 HG1 ARG 33 -13.644 -2.849 14.616
196 1HD ARG 33 HD2 ARG 33 -13.547 -0.694 13.852
197 2HD ARG 33 HD1 ARG 33 -14.362 -1.092 12.343
198 HE ARG 33 HE ARG 33 -16.416 -0.556 13.364
199 1HH1 ARG 33 HH21 ARG 33 -13.936 -0.998 15.790
200 2HH1 ARG 33 HH22 ARG 33 -14.952 -0.446 17.074
201 1HH2 ARG 33 HH11 ARG 33 -17.697 0.151 15.058
202 2HH2 ARG 33 HH12 ARG 33 -17.058 0.196 16.668
203 H LYS 34 HN LYS 34 -10.511 -3.437 14.429
204 HA LYS 34 HA LYS 34 -8.785 -5.383 13.320
205 1HB LYS 34 HB2 LYS 34 -8.283 -5.997 15.721
206 2HB LYS 34 HB1 LYS 34 -8.164 -4.273 15.373
207 1HG LYS 34 HG2 LYS 34 -10.859 -4.677 16.076
208 2HG LYS 34 HG1 LYS 34 -9.941 -5.657 17.218
209 1HD LYS 34 HD2 LYS 34 -9.023 -2.860 16.645
210 2HD LYS 34 HD1 LYS 34 -10.394 -3.106 17.727
211 1HE LYS 34 HE2 LYS 34 -9.107 -4.060 19.362
212 2HE LYS 34 HE1 LYS 34 -8.033 -4.844 18.202
213 1HZ LYS 34 HZ1 LYS 34 -7.193 -2.849 19.607
214 2HZ LYS 34 HZ2 LYS 34 -8.004 -1.915 18.442
215 3HZ LYS 34 HZ3 LYS 34 -6.759 -2.971 17.972
216 H ASP 35 HN ASP 35 -9.524 -7.198 12.384
217 HA ASP 35 HA ASP 35 -11.900 -8.584 13.015
218 1HB ASP 35 HB2 ASP 35 -9.410 -9.237 11.512
219 2HB ASP 35 HB1 ASP 35 -10.476 -10.574 11.944
220 H GLU 36 HN GLU 36 -11.939 -10.919 13.858
221 HA GLU 36 HA GLU 36 -9.951 -11.351 16.037
222 1HB GLU 36 HB2 GLU 36 -12.964 -11.551 16.355
223 2HB GLU 36 HB1 GLU 36 -11.768 -11.932 17.595
224 1HG GLU 36 HG2 GLU 36 -10.919 -9.561 17.379
225 2HG GLU 36 HG1 GLU 36 -12.307 -9.228 16.342
226 HA PRO 37 HA PRO 37 -10.704 -15.290 13.761
227 1HB PRO 37 HB2 PRO 37 -8.076 -15.822 13.258
228 2HB PRO 37 HB1 PRO 37 -9.073 -14.795 12.218
229 1HG PRO 37 HG2 PRO 37 -6.883 -14.047 14.026
230 2HG PRO 37 HG1 PRO 37 -7.567 -13.159 12.658
231 1HD PRO 37 HD2 PRO 37 -8.066 -12.731 15.460
232 2HD PRO 37 HD1 PRO 37 -8.768 -11.857 14.081
Start of MODEL 4
1 1H ALA 1 HT1 ALA 1 3.063 -0.193 -3.626
2 2H ALA 1 HT2 ALA 1 1.785 -1.176 -3.092
3 3H ALA 1 HT3 ALA 1 3.376 -1.503 -2.596
4 HA ALA 1 HA ALA 1 2.109 1.084 -1.967
5 1HB ALA 1 HB1 ALA 1 2.084 -1.173 0.002
6 2HB ALA 1 HB2 ALA 1 0.810 -1.104 -1.215
7 3HB ALA 1 HB3 ALA 1 1.032 0.239 -0.092
8 H ILE 2 HN ILE 2 3.098 1.762 0.227
9 HA ILE 2 HA ILE 2 5.944 1.818 0.000
10 HB ILE 2 HB ILE 2 4.637 3.555 1.183
11 1HG1 ILE 2 HG12 ILE 2 6.103 3.741 3.198
12 2HG1 ILE 2 HG11 ILE 2 6.649 2.088 2.919
13 1HG2 ILE 2 HG21 ILE 2 2.986 2.015 2.222
14 2HG2 ILE 2 HG22 ILE 2 3.711 3.103 3.406
15 3HG2 ILE 2 HG23 ILE 2 4.245 1.425 3.307
16 1HD1 ILE 2 HD11 ILE 2 7.814 4.370 1.854
17 2HD1 ILE 2 HD12 ILE 2 6.841 3.759 0.516
18 3HD1 ILE 2 HD13 ILE 2 8.058 2.726 1.266
19 H CYS 3 HN CYS 3 7.543 0.800 1.376
20 HA CYS 3 HA CYS 3 6.592 -1.754 2.588
21 1HB CYS 3 HB2 CYS 3 8.869 -2.619 2.054
22 2HB CYS 3 HB1 CYS 3 7.947 -2.183 0.622
23 H THR 4 HN THR 4 8.222 -2.562 4.295
24 HA THR 4 HA THR 4 8.582 -0.416 6.254
25 HB THR 4 HB THR 4 9.294 -3.366 6.395
26 HG1 THR 4 HG1 THR 4 7.068 -1.935 7.405
27 1HG2 THR 4 HG21 THR 4 10.013 -3.030 8.518
28 2HG2 THR 4 HG22 THR 4 8.695 -1.914 8.874
29 3HG2 THR 4 HG23 THR 4 10.149 -1.331 8.065
30 H GLY 5 HN GLY 5 10.894 -2.974 5.283
31 1HA GLY 5 HA2 GLY 5 12.961 -2.003 4.050
32 2HA GLY 5 HA1 GLY 5 13.051 -0.926 5.441
33 H ALA 6 HN ALA 6 14.769 -3.229 4.352
34 HA ALA 6 HA ALA 6 14.791 -5.440 6.091
35 1HB ALA 6 HB1 ALA 6 16.779 -4.091 4.374
36 2HB ALA 6 HB2 ALA 6 16.394 -5.805 4.524
37 3HB ALA 6 HB3 ALA 6 17.464 -5.038 5.695
38 H ASP 7 HN ASP 7 16.403 -5.856 7.846
39 HA ASP 7 HA ASP 7 17.112 -5.402 10.027
40 1HB ASP 7 HB2 ASP 7 18.078 -3.151 8.342
41 2HB ASP 7 HB1 ASP 7 18.211 -2.965 10.087
42 H ARG 8 HN ARG 8 14.318 -4.486 9.180
43 HA ARG 8 HA ARG 8 13.875 -2.662 11.503
44 1HB ARG 8 HB2 ARG 8 13.540 -1.978 8.766
45 2HB ARG 8 HB1 ARG 8 11.920 -2.181 9.422
46 1HG ARG 8 HG2 ARG 8 12.088 -0.144 10.363
47 2HG ARG 8 HG1 ARG 8 13.395 -0.748 11.380
48 1HD ARG 8 HD2 ARG 8 15.047 -0.152 9.692
49 2HD ARG 8 HD1 ARG 8 13.773 0.326 8.569
50 HE ARG 8 HE ARG 8 14.814 1.939 10.739
51 1HH1 ARG 8 HH21 ARG 8 11.935 1.213 8.890
52 2HH1 ARG 8 HH22 ARG 8 11.236 2.767 9.179
53 1HH2 ARG 8 HH11 ARG 8 13.872 3.937 11.090
54 2HH2 ARG 8 HH12 ARG 8 12.319 4.295 10.411
55 HA PRO 9 HA PRO 9 10.680 -5.564 12.511
56 1HB PRO 9 HB2 PRO 9 8.862 -3.965 13.776
57 2HB PRO 9 HB1 PRO 9 10.409 -4.441 14.493
58 1HG PRO 9 HG2 PRO 9 9.592 -1.841 13.321
59 2HG PRO 9 HG1 PRO 9 10.736 -2.183 14.628
60 1HD PRO 9 HD2 PRO 9 11.434 -1.557 11.991
61 2HD PRO 9 HD1 PRO 9 12.504 -2.318 13.186
62 H CYS 10 HN CYS 10 9.225 -6.485 11.125
63 HA CYS 10 HA CYS 10 8.004 -5.240 8.919
64 1HB CYS 10 HB2 CYS 10 7.103 -7.662 10.507
65 2HB CYS 10 HB1 CYS 10 6.414 -7.194 8.954
66 H ALA 11 HN ALA 11 5.493 -5.128 8.659
67 HA ALA 11 HA ALA 11 4.282 -3.915 11.109
68 1HB ALA 11 HB1 ALA 11 3.565 -2.025 9.952
69 2HB ALA 11 HB2 ALA 11 3.646 -2.830 8.385
70 3HB ALA 11 HB3 ALA 11 5.128 -2.315 9.188
71 H ALA 12 HN ALA 12 1.907 -3.954 11.090
72 HA ALA 12 HA ALA 12 0.761 -6.435 10.451
73 1HB ALA 12 HB1 ALA 12 -0.123 -4.338 11.837
74 2HB ALA 12 HB2 ALA 12 -1.237 -5.540 11.186
75 3HB ALA 12 HB3 ALA 12 -0.989 -4.015 10.335
76 H CYS 13 HN CYS 13 -0.027 -3.415 8.685
77 HA CYS 13 HA CYS 13 -1.322 -4.579 6.489
78 1HB CYS 13 HB2 CYS 13 -0.622 -2.527 5.215
79 2HB CYS 13 HB1 CYS 13 -1.343 -2.179 6.785
80 H CYS 14 HN CYS 14 2.211 -4.327 6.999
81 HA CYS 14 HA CYS 14 2.353 -4.150 4.034
82 1HB CYS 14 HB2 CYS 14 3.826 -2.658 6.209
83 2HB CYS 14 HB1 CYS 14 4.181 -2.487 4.491
84 HA PRO 15 HA PRO 15 5.601 -7.225 4.343
85 1HB PRO 15 HB2 PRO 15 6.285 -7.274 1.704
86 2HB PRO 15 HB1 PRO 15 4.808 -8.022 2.331
87 1HG PRO 15 HG2 PRO 15 5.128 -5.590 0.709
88 2HG PRO 15 HG1 PRO 15 3.713 -6.631 0.914
89 1HD PRO 15 HD2 PRO 15 4.208 -4.100 2.164
90 2HD PRO 15 HD1 PRO 15 2.830 -5.191 2.431
91 H CYS 16 HN CYS 16 7.990 -7.385 3.674
92 HA CYS 16 HA CYS 16 9.325 -4.881 4.312
93 1HB CYS 16 HB2 CYS 16 10.539 -7.491 3.365
94 2HB CYS 16 HB1 CYS 16 11.393 -6.167 4.155
95 H CYS 17 HN CYS 17 11.004 -3.927 2.905
96 HA CYS 17 HA CYS 17 10.071 -3.222 0.325
97 1HB CYS 17 HB2 CYS 17 12.854 -3.152 1.515
98 2HB CYS 17 HB1 CYS 17 12.385 -2.300 0.059
99 HA PRO 18 HA PRO 18 11.430 -6.491 -2.361
100 1HB PRO 18 HB2 PRO 18 12.560 -5.151 -4.471
101 2HB PRO 18 HB1 PRO 18 10.813 -5.255 -4.199
102 1HG PRO 18 HG2 PRO 18 12.683 -2.998 -3.649
103 2HG PRO 18 HG1 PRO 18 11.007 -2.962 -4.224
104 1HD PRO 18 HD2 PRO 18 11.719 -2.435 -1.631
105 2HD PRO 18 HD1 PRO 18 10.135 -3.078 -2.089
106 H GLY 19 HN GLY 19 13.186 -7.822 -2.226
107 1HA GLY 19 HA2 GLY 19 15.586 -8.278 -2.490
108 2HA GLY 19 HA1 GLY 19 15.910 -6.611 -1.996
109 H THR 20 HN THR 20 13.948 -6.628 0.130
110 HA THR 20 HA THR 20 15.456 -8.169 2.177
111 HB THR 20 HB THR 20 14.510 -6.639 3.795
112 HG1 THR 20 HG1 THR 20 12.885 -5.634 1.696
113 1HG2 THR 20 HG21 THR 20 15.052 -4.389 2.778
114 2HG2 THR 20 HG22 THR 20 15.233 -5.203 1.226
115 3HG2 THR 20 HG23 THR 20 16.310 -5.603 2.561
116 H SER 21 HN SER 21 13.995 -9.200 3.920
117 HA SER 21 HA SER 21 11.311 -9.949 2.899
118 1HB SER 21 HB2 SER 21 12.545 -12.344 3.898
119 2HB SER 21 HB1 SER 21 11.869 -12.029 2.308
120 HG SER 21 HG SER 21 13.820 -11.838 1.568
121 H CYS 22 HN CYS 22 9.837 -10.417 4.515
122 HA CYS 22 HA CYS 22 10.466 -9.591 7.200
123 1HB CYS 22 HB2 CYS 22 8.179 -9.481 6.035
124 2HB CYS 22 HB1 CYS 22 8.039 -11.202 6.389
125 H LYS 23 HN LYS 23 10.735 -10.848 9.009
126 HA LYS 23 HA LYS 23 10.860 -13.803 8.700
127 1HB LYS 23 HB2 LYS 23 13.085 -12.285 10.082
128 2HB LYS 23 HB1 LYS 23 13.071 -13.972 9.571
129 1HG LYS 23 HG2 LYS 23 12.699 -12.883 7.171
130 2HG LYS 23 HG1 LYS 23 13.478 -11.498 7.934
131 1HD LYS 23 HD2 LYS 23 15.344 -13.020 8.648
132 2HD LYS 23 HD1 LYS 23 14.593 -14.306 7.702
133 1HE LYS 23 HE2 LYS 23 15.017 -11.708 6.311
134 2HE LYS 23 HE1 LYS 23 16.461 -12.656 6.670
135 1HZ LYS 23 HZ1 LYS 23 14.066 -13.812 5.363
136 2HZ LYS 23 HZ2 LYS 23 15.621 -14.488 5.481
137 3HZ LYS 23 HZ3 LYS 23 15.352 -13.136 4.487
138 H ALA 24 HN ALA 24 11.280 -14.777 11.012
139 HA ALA 24 HA ALA 24 9.821 -13.122 13.031
140 1HB ALA 24 HB1 ALA 24 9.525 -16.062 12.372
141 2HB ALA 24 HB2 ALA 24 8.280 -14.814 12.317
142 3HB ALA 24 HB3 ALA 24 8.918 -15.355 13.869
143 H GLU 25 HN GLU 25 10.465 -13.511 15.249
144 HA GLU 25 HA GLU 25 13.067 -14.889 15.517
145 1HB GLU 25 HB2 GLU 25 12.169 -12.198 16.339
146 2HB GLU 25 HB1 GLU 25 13.074 -13.086 17.558
147 1HG GLU 25 HG2 GLU 25 14.064 -12.900 14.717
148 2HG GLU 25 HG1 GLU 25 14.423 -11.636 15.893
149 H SER 26 HN SER 26 13.461 -15.367 17.936
150 HA SER 26 HA SER 26 11.336 -17.102 18.855
151 1HB SER 26 HB2 SER 26 14.075 -16.909 19.304
152 2HB SER 26 HB1 SER 26 13.378 -16.469 20.859
153 HG SER 26 HG SER 26 13.143 -18.549 21.073
154 H ASN 27 HN ASN 27 12.509 -13.898 19.791
155 HA ASN 27 HA ASN 27 11.074 -13.619 22.217
156 1HB ASN 27 HB2 ASN 27 11.174 -11.132 21.697
157 2HB ASN 27 HB1 ASN 27 12.723 -11.970 21.702
158 1HD2 ASN 27 HD21 ASN 27 13.969 -11.796 19.819
159 2HD2 ASN 27 HD22 ASN 27 13.395 -11.202 18.336
160 H GLY 28 HN GLY 28 9.890 -13.734 18.993
161 1HA GLY 28 HA2 GLY 28 7.496 -14.096 18.637
162 2HA GLY 28 HA1 GLY 28 7.182 -13.044 20.015
163 H VAL 29 HN VAL 29 9.547 -11.380 18.552
164 HA VAL 29 HA VAL 29 7.598 -9.774 16.982
165 HB VAL 29 HB VAL 29 10.414 -8.987 17.766
166 1HG1 VAL 29 HG11 VAL 29 7.948 -7.493 16.841
167 2HG1 VAL 29 HG12 VAL 29 9.508 -7.600 16.027
168 3HG1 VAL 29 HG13 VAL 29 9.359 -6.688 17.530
169 1HG2 VAL 29 HG21 VAL 29 9.057 -7.618 19.543
170 2HG2 VAL 29 HG22 VAL 29 9.429 -9.309 19.876
171 3HG2 VAL 29 HG23 VAL 29 7.824 -8.857 19.301
172 H SER 30 HN SER 30 7.940 -9.305 14.830
173 HA SER 30 HA SER 30 9.985 -11.004 13.490
174 1HB SER 30 HB2 SER 30 7.337 -9.874 12.635
175 2HB SER 30 HB1 SER 30 8.505 -10.403 11.436
176 HG SER 30 HG SER 30 7.492 -12.243 11.840
177 H TYR 31 HN TYR 31 11.392 -10.078 11.974
178 HA TYR 31 HA TYR 31 11.259 -7.153 11.522
179 1HB TYR 31 HB2 TYR 31 13.781 -8.591 12.347
180 2HB TYR 31 HB1 TYR 31 13.601 -6.876 12.046
181 HD1 TYR 31 HD1 TYR 31 12.474 -5.409 13.639
182 HD2 TYR 31 HD2 TYR 31 12.845 -9.625 14.370
183 HE1 TYR 31 HE1 TYR 31 11.806 -5.058 16.002
184 HE2 TYR 31 HE2 TYR 31 12.177 -9.275 16.733
185 HH TYR 31 HH TYR 31 12.144 -6.268 18.204
186 H CYS 32 HN CYS 32 12.276 -6.515 9.584
187 HA CYS 32 HA CYS 32 12.437 -8.588 7.538
188 1HB CYS 32 HB2 CYS 32 13.204 -5.678 7.315
189 2HB CYS 32 HB1 CYS 32 12.913 -6.782 5.982
190 H ARG 33 HN ARG 33 14.395 -8.736 6.132
191 HA ARG 33 HA ARG 33 16.957 -7.995 7.344
192 1HB ARG 33 HB2 ARG 33 15.836 -10.585 7.756
193 2HB ARG 33 HB1 ARG 33 17.131 -10.779 6.573
194 1HG ARG 33 HG2 ARG 33 18.119 -10.999 8.755
195 2HG ARG 33 HG1 ARG 33 18.609 -9.429 8.115
196 1HD ARG 33 HD2 ARG 33 17.372 -8.268 9.651
197 2HD ARG 33 HD1 ARG 33 16.073 -9.456 9.639
198 HE ARG 33 HE ARG 33 18.273 -9.392 11.505
199 1HH1 ARG 33 HH21 ARG 33 16.184 -11.557 9.720
200 2HH1 ARG 33 HH22 ARG 33 16.353 -12.833 10.875
201 1HH2 ARG 33 HH11 ARG 33 18.462 -11.069 12.973
202 2HH2 ARG 33 HH12 ARG 33 17.628 -12.562 12.697
203 H LYS 34 HN LYS 34 17.968 -7.126 5.625
204 HA LYS 34 HA LYS 34 17.122 -7.367 2.943
205 1HB LYS 34 HB2 LYS 34 18.753 -5.666 4.077
206 2HB LYS 34 HB1 LYS 34 20.003 -6.821 3.616
207 1HG LYS 34 HG2 LYS 34 19.671 -6.490 1.350
208 2HG LYS 34 HG1 LYS 34 17.990 -6.000 1.559
209 1HD LYS 34 HD2 LYS 34 18.836 -3.909 2.699
210 2HD LYS 34 HD1 LYS 34 20.464 -4.378 2.208
211 1HE LYS 34 HE2 LYS 34 20.078 -3.916 -0.008
212 2HE LYS 34 HE1 LYS 34 18.379 -4.378 0.085
213 1HZ LYS 34 HZ1 LYS 34 19.640 -1.842 0.926
214 2HZ LYS 34 HZ2 LYS 34 18.114 -2.310 1.508
215 3HZ LYS 34 HZ3 LYS 34 18.356 -2.075 -0.157
216 H ASP 35 HN ASP 35 16.853 -9.561 2.386
217 HA ASP 35 HA ASP 35 19.206 -10.846 1.296
218 1HB ASP 35 HB2 ASP 35 18.044 -11.791 3.880
219 2HB ASP 35 HB1 ASP 35 18.539 -13.015 2.712
220 H GLU 36 HN GLU 36 18.574 -12.940 0.199
221 HA GLU 36 HA GLU 36 15.996 -12.595 -1.124
222 1HB GLU 36 HB2 GLU 36 18.347 -14.425 -1.415
223 2HB GLU 36 HB1 GLU 36 16.807 -14.933 -2.108
224 1HG GLU 36 HG2 GLU 36 17.873 -13.731 -3.853
225 2HG GLU 36 HG1 GLU 36 16.714 -12.588 -3.172
226 HA PRO 37 HA PRO 37 13.726 -15.542 1.328
227 1HB PRO 37 HB2 PRO 37 11.818 -16.267 -0.483
228 2HB PRO 37 HB1 PRO 37 11.865 -14.676 0.290
229 1HG PRO 37 HG2 PRO 37 12.448 -15.412 -2.491
230 2HG PRO 37 HG1 PRO 37 12.041 -13.833 -1.807
231 1HD PRO 37 HD2 PRO 37 14.646 -14.818 -2.544
232 2HD PRO 37 HD1 PRO 37 14.233 -13.235 -1.851
Start of MODEL 5
1 1H ALA 1 HT1 ALA 1 2.332 -0.884 -0.705
2 2H ALA 1 HT2 ALA 1 3.633 -1.402 0.257
3 3H ALA 1 HT3 ALA 1 3.885 -0.257 -0.973
4 HA ALA 1 HA ALA 1 2.127 0.220 1.367
5 1HB ALA 1 HB1 ALA 1 4.780 1.551 1.094
6 2HB ALA 1 HB2 ALA 1 4.780 -0.130 1.627
7 3HB ALA 1 HB3 ALA 1 3.900 1.088 2.550
8 H ILE 2 HN ILE 2 0.736 1.786 0.737
9 HA ILE 2 HA ILE 2 1.053 3.349 -1.644
10 HB ILE 2 HB ILE 2 -1.149 2.877 -0.623
11 1HG1 ILE 2 HG12 ILE 2 -0.787 5.862 -0.464
12 2HG1 ILE 2 HG11 ILE 2 -0.572 5.028 -2.003
13 1HG2 ILE 2 HG21 ILE 2 -0.634 4.960 1.471
14 2HG2 ILE 2 HG22 ILE 2 -0.084 3.309 1.759
15 3HG2 ILE 2 HG23 ILE 2 -1.795 3.631 1.477
16 1HD1 ILE 2 HD11 ILE 2 -2.805 4.254 -2.031
17 2HD1 ILE 2 HD12 ILE 2 -2.939 5.913 -1.448
18 3HD1 ILE 2 HD13 ILE 2 -3.026 4.568 -0.310
19 H CYS 3 HN CYS 3 1.528 5.618 -1.833
20 HA CYS 3 HA CYS 3 3.102 6.713 0.454
21 1HB CYS 3 HB2 CYS 3 4.417 7.923 -1.291
22 2HB CYS 3 HB1 CYS 3 4.577 6.175 -1.393
23 H THR 4 HN THR 4 3.279 9.217 0.204
24 HA THR 4 HA THR 4 0.543 10.250 0.108
25 HB THR 4 HB THR 4 3.166 11.700 0.592
26 HG1 THR 4 HG1 THR 4 1.245 10.681 2.408
27 1HG2 THR 4 HG21 THR 4 1.898 13.529 1.339
28 2HG2 THR 4 HG22 THR 4 0.440 12.557 1.538
29 3HG2 THR 4 HG23 THR 4 0.996 12.991 -0.078
30 H GLY 5 HN GLY 5 3.502 11.648 -1.361
31 1HA GLY 5 HA2 GLY 5 3.445 11.633 -3.944
32 2HA GLY 5 HA1 GLY 5 1.842 12.332 -3.742
33 H ALA 6 HN ALA 6 4.419 13.391 -4.922
34 HA ALA 6 HA ALA 6 5.608 15.402 -3.366
35 1HB ALA 6 HB1 ALA 6 6.660 15.836 -5.300
36 2HB ALA 6 HB2 ALA 6 5.163 16.402 -6.041
37 3HB ALA 6 HB3 ALA 6 5.583 14.691 -6.097
38 H ASP 7 HN ASP 7 5.254 17.781 -3.599
39 HA ASP 7 HA ASP 7 3.916 19.623 -3.074
40 1HB ASP 7 HB2 ASP 7 2.721 18.326 -5.467
41 2HB ASP 7 HB1 ASP 7 1.781 19.593 -4.686
42 H ARG 8 HN ARG 8 3.304 17.013 -1.623
43 HA ARG 8 HA ARG 8 0.580 17.810 -0.682
44 1HB ARG 8 HB2 ARG 8 1.248 15.393 -1.999
45 2HB ARG 8 HB1 ARG 8 1.055 14.974 -0.300
46 1HG ARG 8 HG2 ARG 8 -1.188 15.266 -0.384
47 2HG ARG 8 HG1 ARG 8 -1.034 16.805 -1.229
48 1HD ARG 8 HD2 ARG 8 -0.586 15.521 -3.344
49 2HD ARG 8 HD1 ARG 8 -0.946 14.038 -2.462
50 HE ARG 8 HE ARG 8 -3.235 14.588 -2.570
51 1HH1 ARG 8 HH21 ARG 8 -1.281 17.398 -3.295
52 2HH1 ARG 8 HH22 ARG 8 -2.648 18.355 -3.747
53 1HH2 ARG 8 HH11 ARG 8 -4.974 15.863 -3.165
54 2HH2 ARG 8 HH12 ARG 8 -4.717 17.498 -3.676
55 HA PRO 9 HA PRO 9 2.472 17.730 3.326
56 1HB PRO 9 HB2 PRO 9 0.339 17.093 4.910
57 2HB PRO 9 HB1 PRO 9 0.548 18.674 4.143
58 1HG PRO 9 HG2 PRO 9 -1.283 16.456 3.424
59 2HG PRO 9 HG1 PRO 9 -1.486 18.202 3.218
60 1HD PRO 9 HD2 PRO 9 -0.780 16.400 1.194
61 2HD PRO 9 HD1 PRO 9 -0.583 18.162 1.120
62 H CYS 10 HN CYS 10 3.799 16.186 4.179
63 HA CYS 10 HA CYS 10 3.642 13.415 3.719
64 1HB CYS 10 HB2 CYS 10 4.935 14.902 6.027
65 2HB CYS 10 HB1 CYS 10 5.221 13.202 5.656
66 H ALA 11 HN ALA 11 3.433 11.741 5.598
67 HA ALA 11 HA ALA 11 1.179 12.480 7.411
68 1HB ALA 11 HB1 ALA 11 1.331 9.973 5.709
69 2HB ALA 11 HB2 ALA 11 0.232 11.327 5.446
70 3HB ALA 11 HB3 ALA 11 0.075 10.333 6.894
71 H ALA 12 HN ALA 12 0.981 11.019 9.266
72 HA ALA 12 HA ALA 12 3.376 10.471 10.621
73 1HB ALA 12 HB1 ALA 12 0.548 9.566 10.922
74 2HB ALA 12 HB2 ALA 12 1.577 10.436 12.060
75 3HB ALA 12 HB3 ALA 12 1.784 8.699 11.834
76 H CYS 13 HN CYS 13 1.239 7.897 9.329
77 HA CYS 13 HA CYS 13 3.026 5.754 9.561
78 1HB CYS 13 HB2 CYS 13 1.733 4.695 7.696
79 2HB CYS 13 HB1 CYS 13 0.706 5.387 8.949
80 H CYS 14 HN CYS 14 2.991 8.234 6.995
81 HA CYS 14 HA CYS 14 4.129 6.111 5.249
82 1HB CYS 14 HB2 CYS 14 1.999 8.187 4.706
83 2HB CYS 14 HB1 CYS 14 2.616 7.056 3.505
84 HA PRO 15 HA PRO 15 7.046 9.304 4.043
85 1HB PRO 15 HB2 PRO 15 8.482 7.791 2.287
86 2HB PRO 15 HB1 PRO 15 8.637 7.639 4.043
87 1HG PRO 15 HG2 PRO 15 7.394 5.803 2.112
88 2HG PRO 15 HG1 PRO 15 8.016 5.480 3.736
89 1HD PRO 15 HD2 PRO 15 5.279 5.821 2.954
90 2HD PRO 15 HD1 PRO 15 5.917 5.580 4.595
91 H CYS 16 HN CYS 16 7.813 10.270 1.884
92 HA CYS 16 HA CYS 16 5.521 10.750 0.184
93 1HB CYS 16 HB2 CYS 16 8.419 11.460 -0.340
94 2HB CYS 16 HB1 CYS 16 7.006 12.182 -1.104
95 H CYS 17 HN CYS 17 5.470 10.303 -2.146
96 HA CYS 17 HA CYS 17 5.897 7.590 -2.842
97 1HB CYS 17 HB2 CYS 17 5.592 10.072 -4.549
98 2HB CYS 17 HB1 CYS 17 5.483 8.441 -5.175
99 HA PRO 18 HA PRO 18 10.149 7.347 -4.110
100 1HB PRO 18 HB2 PRO 18 10.030 5.970 -6.478
101 2HB PRO 18 HB1 PRO 18 9.805 5.214 -4.892
102 1HG PRO 18 HG2 PRO 18 7.766 5.990 -6.925
103 2HG PRO 18 HG1 PRO 18 7.802 4.591 -5.838
104 1HD PRO 18 HD2 PRO 18 6.258 6.812 -5.388
105 2HD PRO 18 HD1 PRO 18 6.845 5.759 -4.094
106 H GLY 19 HN GLY 19 11.211 9.135 -4.775
107 1HA GLY 19 HA2 GLY 19 12.107 10.329 -6.813
108 2HA GLY 19 HA1 GLY 19 10.431 10.412 -7.371
109 H THR 20 HN THR 20 9.282 10.909 -4.819
110 HA THR 20 HA THR 20 10.009 13.768 -4.449
111 HB THR 20 HB THR 20 7.817 13.964 -3.366
112 HG1 THR 20 HG1 THR 20 6.518 12.103 -3.175
113 1HG2 THR 20 HG21 THR 20 7.670 14.169 -5.729
114 2HG2 THR 20 HG22 THR 20 6.374 13.060 -5.282
115 3HG2 THR 20 HG23 THR 20 7.873 12.435 -5.969
116 H SER 21 HN SER 21 10.306 14.553 -2.245
117 HA SER 21 HA SER 21 10.934 12.398 -0.263
118 1HB SER 21 HB2 SER 21 12.603 14.839 -0.157
119 2HB SER 21 HB1 SER 21 13.049 13.159 0.100
120 HG SER 21 HG SER 21 13.942 13.974 -1.830
121 H CYS 22 HN CYS 22 10.723 13.018 1.976
122 HA CYS 22 HA CYS 22 8.726 15.150 2.386
123 1HB CYS 22 HB2 CYS 22 8.568 12.866 3.482
124 2HB CYS 22 HB1 CYS 22 9.933 13.337 4.488
125 H LYS 23 HN LYS 23 9.215 17.084 3.208
126 HA LYS 23 HA LYS 23 11.776 17.488 4.651
127 1HB LYS 23 HB2 LYS 23 12.093 19.632 3.280
128 2HB LYS 23 HB1 LYS 23 12.440 18.116 2.452
129 1HG LYS 23 HG2 LYS 23 9.674 19.286 2.296
130 2HG LYS 23 HG1 LYS 23 10.950 19.934 1.266
131 1HD LYS 23 HD2 LYS 23 10.887 16.996 1.293
132 2HD LYS 23 HD1 LYS 23 9.392 17.710 0.691
133 1HE LYS 23 HE2 LYS 23 10.721 17.536 -1.243
134 2HE LYS 23 HE1 LYS 23 10.948 19.214 -0.750
135 1HZ LYS 23 HZ1 LYS 23 12.763 16.962 -0.075
136 2HZ LYS 23 HZ2 LYS 23 12.985 18.587 0.369
137 3HZ LYS 23 HZ3 LYS 23 13.053 18.133 -1.267
138 H ALA 24 HN ALA 24 11.400 18.651 6.467
139 HA ALA 24 HA ALA 24 8.790 19.799 6.997
140 1HB ALA 24 HB1 ALA 24 9.538 20.068 9.165
141 2HB ALA 24 HB2 ALA 24 11.156 20.553 8.657
142 3HB ALA 24 HB3 ALA 24 10.694 18.851 8.622
143 H GLU 25 HN GLU 25 8.535 22.140 7.647
144 HA GLU 25 HA GLU 25 10.343 23.910 6.113
145 1HB GLU 25 HB2 GLU 25 7.688 23.335 5.445
146 2HB GLU 25 HB1 GLU 25 7.602 24.903 6.242
147 1HG GLU 25 HG2 GLU 25 8.107 25.653 4.134
148 2HG GLU 25 HG1 GLU 25 9.756 25.331 4.673
149 H SER 26 HN SER 26 9.577 26.314 6.769
150 HA SER 26 HA SER 26 10.261 26.578 9.570
151 1HB SER 26 HB2 SER 26 10.317 28.237 7.319
152 2HB SER 26 HB1 SER 26 9.119 28.983 8.371
153 HG SER 26 HG SER 26 11.751 28.192 9.103
154 H ASN 27 HN ASN 27 7.274 26.688 7.713
155 HA ASN 27 HA ASN 27 5.571 27.866 9.642
156 1HB ASN 27 HB2 ASN 27 3.747 26.567 8.484
157 2HB ASN 27 HB1 ASN 27 4.764 27.513 7.399
158 1HD2 ASN 27 HD21 ASN 27 4.437 26.083 5.567
159 2HD2 ASN 27 HD22 ASN 27 5.089 24.517 5.526
160 H GLY 28 HN GLY 28 7.100 24.785 9.678
161 1HA GLY 28 HA2 GLY 28 7.204 23.547 11.788
162 2HA GLY 28 HA1 GLY 28 5.566 24.097 12.135
163 H VAL 29 HN VAL 29 4.916 23.486 9.175
164 HA VAL 29 HA VAL 29 4.344 20.606 9.638
165 HB VAL 29 HB VAL 29 3.204 22.464 7.532
166 1HG1 VAL 29 HG11 VAL 29 1.370 20.648 7.641
167 2HG1 VAL 29 HG12 VAL 29 2.575 19.665 8.472
168 3HG1 VAL 29 HG13 VAL 29 2.876 20.225 6.828
169 1HG2 VAL 29 HG21 VAL 29 1.162 22.325 9.098
170 2HG2 VAL 29 HG22 VAL 29 2.492 23.360 9.617
171 3HG2 VAL 29 HG23 VAL 29 2.293 21.758 10.327
172 H SER 30 HN SER 30 4.806 19.055 8.018
173 HA SER 30 HA SER 30 6.975 19.914 6.170
174 1HB SER 30 HB2 SER 30 6.397 17.122 7.173
175 2HB SER 30 HB1 SER 30 7.824 17.652 6.290
176 HG SER 30 HG SER 30 8.465 17.761 8.351
177 H TYR 31 HN TYR 31 6.859 19.304 3.985
178 HA TYR 31 HA TYR 31 4.450 17.806 3.095
179 1HB TYR 31 HB2 TYR 31 5.503 20.366 1.861
180 2HB TYR 31 HB1 TYR 31 4.158 19.414 1.255
181 HD1 TYR 31 HD1 TYR 31 5.335 21.460 4.122
182 HD2 TYR 31 HD2 TYR 31 1.971 19.597 2.209
183 HE1 TYR 31 HE1 TYR 31 3.799 22.677 5.641
184 HE2 TYR 31 HE2 TYR 31 0.434 20.813 3.730
185 HH TYR 31 HH TYR 31 0.533 21.868 5.984
186 H CYS 32 HN CYS 32 4.755 16.880 0.927
187 HA CYS 32 HA CYS 32 7.542 16.061 0.477
188 1HB CYS 32 HB2 CYS 32 5.046 15.345 -1.063
189 2HB CYS 32 HB1 CYS 32 6.616 14.578 -1.239
190 H ARG 33 HN ARG 33 8.591 16.412 -1.570
191 HA ARG 33 HA ARG 33 7.408 18.309 -3.457
192 1HB ARG 33 HB2 ARG 33 9.060 19.249 -1.364
193 2HB ARG 33 HB1 ARG 33 10.094 19.218 -2.793
194 1HG ARG 33 HG2 ARG 33 9.043 21.351 -2.821
195 2HG ARG 33 HG1 ARG 33 8.174 20.387 -4.015
196 1HD ARG 33 HD2 ARG 33 6.247 20.412 -2.807
197 2HD ARG 33 HD1 ARG 33 7.096 20.161 -1.286
198 HE ARG 33 HE ARG 33 6.298 22.728 -2.389
199 1HH1 ARG 33 HH21 ARG 33 8.654 21.096 -0.383
200 2HH1 ARG 33 HH22 ARG 33 9.043 22.530 0.500
201 1HH2 ARG 33 HH11 ARG 33 6.832 24.558 -1.220
202 2HH2 ARG 33 HH12 ARG 33 8.024 24.470 0.034
203 H LYS 34 HN LYS 34 8.118 17.721 -5.480
204 HA LYS 34 HA LYS 34 9.592 15.359 -5.904
205 1HB LYS 34 HB2 LYS 34 8.751 17.652 -7.606
206 2HB LYS 34 HB1 LYS 34 10.053 16.648 -8.242
207 1HG LYS 34 HG2 LYS 34 8.705 14.669 -8.124
208 2HG LYS 34 HG1 LYS 34 7.464 15.497 -7.183
209 1HD LYS 34 HD2 LYS 34 6.557 16.518 -9.015
210 2HD LYS 34 HD1 LYS 34 8.122 16.723 -9.802
211 1HE LYS 34 HE2 LYS 34 8.139 14.249 -10.259
212 2HE LYS 34 HE1 LYS 34 6.489 14.176 -9.638
213 1HZ LYS 34 HZ1 LYS 34 6.089 16.065 -11.333
214 2HZ LYS 34 HZ2 LYS 34 6.158 14.458 -11.881
215 3HZ LYS 34 HZ3 LYS 34 7.500 15.482 -12.073
216 H ASP 35 HN ASP 35 11.748 14.962 -6.526
217 HA ASP 35 HA ASP 35 13.765 16.407 -5.165
218 1HB ASP 35 HB2 ASP 35 13.830 14.403 -7.414
219 2HB ASP 35 HB1 ASP 35 15.317 15.152 -6.831
220 H GLU 36 HN GLU 36 15.579 17.639 -6.127
221 HA GLU 36 HA GLU 36 14.585 19.500 -8.208
222 1HB GLU 36 HB2 GLU 36 17.019 19.587 -6.398
223 2HB GLU 36 HB1 GLU 36 16.607 20.838 -7.572
224 1HG GLU 36 HG2 GLU 36 14.668 19.936 -5.435
225 2HG GLU 36 HG1 GLU 36 15.821 21.244 -5.167
226 HA PRO 37 HA PRO 37 17.339 17.843 -11.294
227 1HB PRO 37 HB2 PRO 37 17.566 20.030 -12.911
228 2HB PRO 37 HB1 PRO 37 16.085 19.070 -12.783
229 1HG PRO 37 HG2 PRO 37 16.638 21.779 -11.797
230 2HG PRO 37 HG1 PRO 37 15.087 20.985 -12.099
231 1HD PRO 37 HD2 PRO 37 16.404 21.381 -9.568
232 2HD PRO 37 HD1 PRO 37 14.849 20.577 -9.876
Start of MODEL 6
1 1H ALA 1 HT1 ALA 1 3.090 -0.012 -1.581
2 2H ALA 1 HT2 ALA 1 1.433 0.356 -1.668
3 3H ALA 1 HT3 ALA 1 1.994 -0.793 -0.549
4 HA ALA 1 HA ALA 1 1.701 1.035 0.792
5 1HB ALA 1 HB1 ALA 1 3.951 0.237 1.131
6 2HB ALA 1 HB2 ALA 1 4.017 1.999 1.133
7 3HB ALA 1 HB3 ALA 1 4.529 1.100 -0.295
8 H ILE 2 HN ILE 2 0.184 2.350 -0.481
9 HA ILE 2 HA ILE 2 1.056 4.302 -2.397
10 HB ILE 2 HB ILE 2 -1.301 3.542 -2.171
11 1HG1 ILE 2 HG12 ILE 2 -2.352 5.802 -2.330
12 2HG1 ILE 2 HG11 ILE 2 -0.848 6.512 -1.747
13 1HG2 ILE 2 HG21 ILE 2 -2.563 3.845 -0.280
14 2HG2 ILE 2 HG22 ILE 2 -1.757 5.357 0.141
15 3HG2 ILE 2 HG23 ILE 2 -0.978 3.814 0.493
16 1HD1 ILE 2 HD11 ILE 2 0.254 6.140 -3.724
17 2HD1 ILE 2 HD12 ILE 2 -1.384 6.197 -4.373
18 3HD1 ILE 2 HD13 ILE 2 -0.618 4.642 -4.047
19 H CYS 3 HN CYS 3 1.252 6.631 -2.066
20 HA CYS 3 HA CYS 3 2.141 7.307 0.699
21 1HB CYS 3 HB2 CYS 3 3.520 9.060 -0.401
22 2HB CYS 3 HB1 CYS 3 3.950 7.435 -0.917
23 H THR 4 HN THR 4 1.920 9.774 1.114
24 HA THR 4 HA THR 4 -0.896 10.459 0.702
25 HB THR 4 HB THR 4 1.313 12.021 2.082
26 HG1 THR 4 HG1 THR 4 -0.613 10.172 3.023
27 1HG2 THR 4 HG21 THR 4 -0.905 13.168 1.313
28 2HG2 THR 4 HG22 THR 4 -0.365 13.398 2.975
29 3HG2 THR 4 HG23 THR 4 -1.640 12.235 2.616
30 H GLY 5 HN GLY 5 1.982 12.555 0.307
31 1HA GLY 5 HA2 GLY 5 2.380 13.256 -2.150
32 2HA GLY 5 HA1 GLY 5 0.673 13.693 -2.115
33 H ALA 6 HN ALA 6 3.207 15.319 -2.403
34 HA ALA 6 HA ALA 6 3.761 16.905 -0.152
35 1HB ALA 6 HB1 ALA 6 4.250 17.050 -2.967
36 2HB ALA 6 HB2 ALA 6 5.103 17.874 -1.664
37 3HB ALA 6 HB3 ALA 6 3.707 18.638 -2.421
38 H ASP 7 HN ASP 7 3.051 19.167 0.239
39 HA ASP 7 HA ASP 7 1.363 20.662 0.844
40 1HB ASP 7 HB2 ASP 7 0.805 19.881 -1.970
41 2HB ASP 7 HB1 ASP 7 -0.450 20.776 -1.120
42 H ARG 8 HN ARG 8 0.979 17.660 1.424
43 HA ARG 8 HA ARG 8 -1.947 17.855 2.019
44 1HB ARG 8 HB2 ARG 8 -0.692 15.973 0.301
45 2HB ARG 8 HB1 ARG 8 -1.117 15.097 1.768
46 1HG ARG 8 HG2 ARG 8 -3.377 16.604 1.340
47 2HG ARG 8 HG1 ARG 8 -2.859 16.260 -0.310
48 1HD ARG 8 HD2 ARG 8 -2.917 14.039 1.712
49 2HD ARG 8 HD1 ARG 8 -4.418 14.551 0.939
50 HE ARG 8 HE ARG 8 -2.268 14.067 -0.969
51 1HH1 ARG 8 HH21 ARG 8 -4.837 12.599 0.897
52 2HH1 ARG 8 HH22 ARG 8 -5.001 11.265 -0.191
53 1HH2 ARG 8 HH11 ARG 8 -2.514 12.323 -2.349
54 2HH2 ARG 8 HH12 ARG 8 -3.702 11.108 -2.009
55 HA PRO 9 HA PRO 9 -0.726 16.862 6.161
56 1HB PRO 9 HB2 PRO 9 -2.926 15.523 7.068
57 2HB PRO 9 HB1 PRO 9 -2.893 17.270 6.789
58 1HG PRO 9 HG2 PRO 9 -4.152 15.124 5.175
59 2HG PRO 9 HG1 PRO 9 -4.637 16.813 5.385
60 1HD PRO 9 HD2 PRO 9 -3.303 15.772 3.151
61 2HD PRO 9 HD1 PRO 9 -3.428 17.493 3.572
62 H CYS 10 HN CYS 10 0.687 15.317 6.883
63 HA CYS 10 HA CYS 10 1.066 12.777 5.683
64 1HB CYS 10 HB2 CYS 10 1.829 13.791 8.437
65 2HB CYS 10 HB1 CYS 10 2.377 12.249 7.782
66 H ALA 11 HN ALA 11 0.914 10.662 7.084
67 HA ALA 11 HA ALA 11 -1.593 10.610 8.685
68 1HB ALA 11 HB1 ALA 11 -2.653 9.000 7.366
69 2HB ALA 11 HB2 ALA 11 -1.147 8.490 6.603
70 3HB ALA 11 HB3 ALA 11 -1.893 10.021 6.145
71 H ALA 12 HN ALA 12 -1.801 8.617 9.956
72 HA ALA 12 HA ALA 12 0.508 7.855 11.356
73 1HB ALA 12 HB1 ALA 12 -1.722 5.879 11.006
74 2HB ALA 12 HB2 ALA 12 -2.047 7.412 11.816
75 3HB ALA 12 HB3 ALA 12 -0.832 6.311 12.466
76 H CYS 13 HN CYS 13 -1.206 5.667 9.086
77 HA CYS 13 HA CYS 13 0.770 3.696 8.878
78 1HB CYS 13 HB2 CYS 13 -0.213 3.178 6.639
79 2HB CYS 13 HB1 CYS 13 -1.433 3.390 7.893
80 H CYS 14 HN CYS 14 0.715 6.846 7.234
81 HA CYS 14 HA CYS 14 2.311 5.542 5.088
82 1HB CYS 14 HB2 CYS 14 -0.013 7.467 4.911
83 2HB CYS 14 HB1 CYS 14 0.871 6.832 3.526
84 HA PRO 15 HA PRO 15 4.832 9.245 5.514
85 1HB PRO 15 HB2 PRO 15 6.815 8.468 3.811
86 2HB PRO 15 HB1 PRO 15 6.659 7.848 5.461
87 1HG PRO 15 HG2 PRO 15 6.147 6.495 2.903
88 2HG PRO 15 HG1 PRO 15 6.489 5.805 4.495
89 1HD PRO 15 HD2 PRO 15 3.937 6.038 3.205
90 2HD PRO 15 HD1 PRO 15 4.277 5.414 4.834
91 H CYS 16 HN CYS 16 5.826 10.861 3.911
92 HA CYS 16 HA CYS 16 3.856 11.586 1.928
93 1HB CYS 16 HB2 CYS 16 6.673 12.652 2.254
94 2HB CYS 16 HB1 CYS 16 5.351 13.437 1.394
95 H CYS 17 HN CYS 17 4.243 11.758 -0.384
96 HA CYS 17 HA CYS 17 5.222 9.406 -1.629
97 1HB CYS 17 HB2 CYS 17 4.757 12.199 -2.699
98 2HB CYS 17 HB1 CYS 17 5.040 10.804 -3.718
99 HA PRO 18 HA PRO 18 9.596 10.048 -2.067
100 1HB PRO 18 HB2 PRO 18 10.080 9.336 -4.671
101 2HB PRO 18 HB1 PRO 18 9.746 8.169 -3.381
102 1HG PRO 18 HG2 PRO 18 7.944 9.182 -5.528
103 2HG PRO 18 HG1 PRO 18 8.048 7.566 -4.810
104 1HD PRO 18 HD2 PRO 18 6.099 9.387 -4.163
105 2HD PRO 18 HD1 PRO 18 6.643 8.110 -3.064
106 H GLY 19 HN GLY 19 10.495 12.036 -2.116
107 1HA GLY 19 HA2 GLY 19 11.453 13.834 -3.588
108 2HA GLY 19 HA1 GLY 19 9.894 13.851 -4.422
109 H THR 20 HN THR 20 8.298 13.518 -2.091
110 HA THR 20 HA THR 20 8.467 16.251 -0.930
111 HB THR 20 HB THR 20 6.131 15.916 -0.307
112 HG1 THR 20 HG1 THR 20 6.415 13.290 -1.345
113 1HG2 THR 20 HG21 THR 20 5.175 15.288 -2.597
114 2HG2 THR 20 HG22 THR 20 6.840 15.001 -3.099
115 3HG2 THR 20 HG23 THR 20 6.341 16.610 -2.577
116 H SER 21 HN SER 21 8.214 16.438 1.445
117 HA SER 21 HA SER 21 8.864 13.923 2.922
118 1HB SER 21 HB2 SER 21 10.263 16.140 4.127
119 2HB SER 21 HB1 SER 21 10.909 14.626 3.510
120 HG SER 21 HG SER 21 11.518 15.628 1.766
121 H CYS 22 HN CYS 22 7.992 13.777 4.982
122 HA CYS 22 HA CYS 22 5.735 15.413 5.621
123 1HB CYS 22 HB2 CYS 22 6.241 12.996 6.387
124 2HB CYS 22 HB1 CYS 22 7.235 13.740 7.639
125 H LYS 23 HN LYS 23 5.539 17.039 7.121
126 HA LYS 23 HA LYS 23 7.987 18.041 8.480
127 1HB LYS 23 HB2 LYS 23 6.155 19.911 6.957
128 2HB LYS 23 HB1 LYS 23 7.744 20.262 7.634
129 1HG LYS 23 HG2 LYS 23 8.544 18.349 6.011
130 2HG LYS 23 HG1 LYS 23 7.043 18.707 5.159
131 1HD LYS 23 HD2 LYS 23 7.710 21.097 5.031
132 2HD LYS 23 HD1 LYS 23 9.238 20.693 5.816
133 1HE LYS 23 HE2 LYS 23 8.368 19.243 3.320
134 2HE LYS 23 HE1 LYS 23 9.185 20.803 3.215
135 1HZ LYS 23 HZ1 LYS 23 10.662 18.798 3.149
136 2HZ LYS 23 HZ2 LYS 23 10.260 18.527 4.777
137 3HZ LYS 23 HZ3 LYS 23 11.064 19.953 4.324
138 H ALA 24 HN ALA 24 7.246 20.017 9.933
139 HA ALA 24 HA ALA 24 4.589 19.346 11.131
140 1HB ALA 24 HB1 ALA 24 7.232 19.961 12.465
141 2HB ALA 24 HB2 ALA 24 6.198 18.550 12.694
142 3HB ALA 24 HB3 ALA 24 5.697 20.121 13.320
143 H GLU 25 HN GLU 25 3.448 21.181 12.046
144 HA GLU 25 HA GLU 25 4.464 23.802 11.127
145 1HB GLU 25 HB2 GLU 25 1.858 22.463 10.749
146 2HB GLU 25 HB1 GLU 25 1.765 24.155 11.220
147 1HG GLU 25 HG2 GLU 25 3.715 23.442 9.080
148 2HG GLU 25 HG1 GLU 25 2.004 23.420 8.655
149 H SER 26 HN SER 26 3.233 25.595 12.346
150 HA SER 26 HA SER 26 3.755 25.270 15.173
151 1HB SER 26 HB2 SER 26 3.493 27.428 13.425
152 2HB SER 26 HB1 SER 26 2.099 27.583 14.490
153 HG SER 26 HG SER 26 4.336 28.463 15.100
154 H ASN 27 HN ASN 27 0.853 25.261 13.159
155 HA ASN 27 HA ASN 27 -1.104 25.436 15.195
156 1HB ASN 27 HB2 ASN 27 -2.566 24.166 13.574
157 2HB ASN 27 HB1 ASN 27 -1.785 25.591 12.893
158 1HD2 ASN 27 HD21 ASN 27 -1.900 24.611 10.715
159 2HD2 ASN 27 HD22 ASN 27 -0.836 23.364 10.275
160 H GLY 28 HN GLY 28 1.073 22.870 14.477
161 1HA GLY 28 HA2 GLY 28 1.421 21.127 16.166
162 2HA GLY 28 HA1 GLY 28 -0.305 21.191 16.513
163 H VAL 29 HN VAL 29 -0.445 21.360 13.304
164 HA VAL 29 HA VAL 29 -0.620 18.406 13.023
165 HB VAL 29 HB VAL 29 -1.664 20.539 11.144
166 1HG1 VAL 29 HG11 VAL 29 -2.155 17.566 11.455
167 2HG1 VAL 29 HG12 VAL 29 -1.455 18.394 10.064
168 3HG1 VAL 29 HG13 VAL 29 -3.160 18.616 10.456
169 1HG2 VAL 29 HG21 VAL 29 -3.870 20.082 12.206
170 2HG2 VAL 29 HG22 VAL 29 -2.722 20.789 13.343
171 3HG2 VAL 29 HG23 VAL 29 -3.063 19.060 13.396
172 H SER 30 HN SER 30 0.434 17.324 11.353
173 HA SER 30 HA SER 30 2.717 18.827 10.182
174 1HB SER 30 HB2 SER 30 2.237 15.925 10.792
175 2HB SER 30 HB1 SER 30 3.516 16.410 9.693
176 HG SER 30 HG SER 30 4.578 17.327 11.314
177 H TYR 31 HN TYR 31 3.074 18.807 7.964
178 HA TYR 31 HA TYR 31 1.193 17.320 6.225
179 1HB TYR 31 HB2 TYR 31 1.839 20.244 5.839
180 2HB TYR 31 HB1 TYR 31 0.738 19.271 4.886
181 HD1 TYR 31 HD1 TYR 31 1.259 20.901 8.154
182 HD2 TYR 31 HD2 TYR 31 -1.478 18.702 5.681
183 HE1 TYR 31 HE1 TYR 31 -0.592 21.459 9.707
184 HE2 TYR 31 HE2 TYR 31 -3.329 19.258 7.235
185 HH TYR 31 HH TYR 31 -3.332 21.630 9.314
186 H CYS 32 HN CYS 32 2.059 16.910 4.145
187 HA CYS 32 HA CYS 32 4.957 16.761 4.022
188 1HB CYS 32 HB2 CYS 32 2.948 16.282 1.823
189 2HB CYS 32 HB1 CYS 32 4.627 15.764 1.825
190 H ARG 33 HN ARG 33 6.196 17.725 2.235
191 HA ARG 33 HA ARG 33 5.054 20.083 0.914
192 1HB ARG 33 HB2 ARG 33 6.562 20.323 3.333
193 2HB ARG 33 HB1 ARG 33 7.600 20.876 2.019
194 1HG ARG 33 HG2 ARG 33 6.375 22.796 2.705
195 2HG ARG 33 HG1 ARG 33 5.600 22.253 1.217
196 1HD ARG 33 HD2 ARG 33 3.659 21.787 2.280
197 2HD ARG 33 HD1 ARG 33 4.493 20.957 3.590
198 HE ARG 33 HE ARG 33 4.380 22.941 4.849
199 1HH1 ARG 33 HH21 ARG 33 3.840 23.636 1.464
200 2HH1 ARG 33 HH22 ARG 33 3.435 25.290 1.766
201 1HH2 ARG 33 HH11 ARG 33 3.851 25.087 5.193
202 2HH2 ARG 33 HH12 ARG 33 3.440 26.104 3.852
203 H LYS 34 HN LYS 34 5.790 19.928 -1.132
204 HA LYS 34 HA LYS 34 7.664 17.974 -1.975
205 1HB LYS 34 HB2 LYS 34 7.688 19.217 -4.146
206 2HB LYS 34 HB1 LYS 34 6.055 18.942 -3.540
207 1HG LYS 34 HG2 LYS 34 6.546 21.317 -2.367
208 2HG LYS 34 HG1 LYS 34 7.581 21.485 -3.785
209 1HD LYS 34 HD2 LYS 34 4.700 20.590 -3.984
210 2HD LYS 34 HD1 LYS 34 5.170 22.289 -4.062
211 1HE LYS 34 HE2 LYS 34 6.325 22.014 -6.076
212 2HE LYS 34 HE1 LYS 34 6.541 20.281 -5.829
213 1HZ LYS 34 HZ1 LYS 34 4.092 21.729 -6.631
214 2HZ LYS 34 HZ2 LYS 34 4.027 20.156 -5.994
215 3HZ LYS 34 HZ3 LYS 34 4.876 20.458 -7.434
216 H ASP 35 HN ASP 35 9.844 18.058 -2.461
217 HA ASP 35 HA ASP 35 11.509 19.768 -0.919
218 1HB ASP 35 HB2 ASP 35 11.983 17.871 -3.198
219 2HB ASP 35 HB1 ASP 35 13.296 18.914 -2.651
220 H GLU 36 HN GLU 36 13.160 21.299 -1.833
221 HA GLU 36 HA GLU 36 12.519 22.559 -4.409
222 1HB GLU 36 HB2 GLU 36 11.996 23.899 -1.752
223 2HB GLU 36 HB1 GLU 36 12.323 24.839 -3.209
224 1HG GLU 36 HG2 GLU 36 10.464 23.523 -4.338
225 2HG GLU 36 HG1 GLU 36 10.053 22.893 -2.742
226 HA PRO 37 HA PRO 37 16.957 22.924 -3.015
227 1HB PRO 37 HB2 PRO 37 18.034 21.127 -4.764
228 2HB PRO 37 HB1 PRO 37 17.409 20.675 -3.171
229 1HG PRO 37 HG2 PRO 37 16.300 20.120 -5.831
230 2HG PRO 37 HG1 PRO 37 15.980 19.317 -4.288
231 1HD PRO 37 HD2 PRO 37 14.348 21.274 -5.630
232 2HD PRO 37 HD1 PRO 37 14.036 20.473 -4.075
Start of MODEL 7
1 1H ALA 1 HT1 ALA 1 0.681 -1.255 0.178
2 2H ALA 1 HT2 ALA 1 2.240 -0.657 -0.134
3 3H ALA 1 HT3 ALA 1 0.937 -0.200 -1.124
4 HA ALA 1 HA ALA 1 -0.100 0.794 0.938
5 1HB ALA 1 HB1 ALA 1 1.189 -0.159 2.680
6 2HB ALA 1 HB2 ALA 1 1.782 1.498 2.567
7 3HB ALA 1 HB3 ALA 1 2.709 0.179 1.852
8 H ILE 2 HN ILE 2 3.314 1.639 0.477
9 HA ILE 2 HA ILE 2 2.942 3.512 -1.644
10 HB ILE 2 HB ILE 2 1.589 4.728 0.024
11 1HG1 ILE 2 HG12 ILE 2 2.869 6.878 -0.003
12 2HG1 ILE 2 HG11 ILE 2 4.289 5.989 -0.555
13 1HG2 ILE 2 HG21 ILE 2 2.215 4.385 2.176
14 2HG2 ILE 2 HG22 ILE 2 3.337 5.717 1.902
15 3HG2 ILE 2 HG23 ILE 2 3.889 4.051 1.737
16 1HD1 ILE 2 HD11 ILE 2 2.998 7.046 -2.427
17 2HD1 ILE 2 HD12 ILE 2 1.628 6.017 -2.008
18 3HD1 ILE 2 HD13 ILE 2 3.132 5.294 -2.577
19 H CYS 3 HN CYS 3 4.960 4.608 -2.140
20 HA CYS 3 HA CYS 3 7.269 3.556 -0.570
21 1HB CYS 3 HB2 CYS 3 8.532 3.692 -2.709
22 2HB CYS 3 HB1 CYS 3 7.187 2.562 -2.782
23 H THR 4 HN THR 4 9.289 4.992 -0.981
24 HA THR 4 HA THR 4 8.564 7.727 -0.221
25 HB THR 4 HB THR 4 11.274 6.420 -0.638
26 HG1 THR 4 HG1 THR 4 11.181 5.967 1.456
27 1HG2 THR 4 HG21 THR 4 12.248 8.398 -0.130
28 2HG2 THR 4 HG22 THR 4 11.108 8.702 1.180
29 3HG2 THR 4 HG23 THR 4 10.685 9.139 -0.474
30 H GLY 5 HN GLY 5 11.039 6.679 -2.591
31 1HA GLY 5 HA2 GLY 5 10.389 7.288 -5.029
32 2HA GLY 5 HA1 GLY 5 10.117 8.894 -4.357
33 H ALA 6 HN ALA 6 12.110 7.865 -6.362
34 HA ALA 6 HA ALA 6 14.737 7.741 -5.373
35 1HB ALA 6 HB1 ALA 6 15.155 7.627 -7.574
36 2HB ALA 6 HB2 ALA 6 14.781 9.340 -7.747
37 3HB ALA 6 HB3 ALA 6 13.504 8.138 -7.918
38 H ASP 7 HN ASP 7 16.408 9.480 -5.541
39 HA ASP 7 HA ASP 7 17.272 11.456 -4.638
40 1HB ASP 7 HB2 ASP 7 15.055 12.215 -6.469
41 2HB ASP 7 HB1 ASP 7 15.728 13.485 -5.452
42 H ARG 8 HN ARG 8 15.148 10.022 -2.995
43 HA ARG 8 HA ARG 8 14.495 12.343 -1.229
44 1HB ARG 8 HB2 ARG 8 12.623 10.708 -2.619
45 2HB ARG 8 HB1 ARG 8 12.528 10.252 -0.920
46 1HG ARG 8 HG2 ARG 8 12.640 12.982 -0.734
47 2HG ARG 8 HG1 ARG 8 11.758 12.779 -2.247
48 1HD ARG 8 HD2 ARG 8 10.167 11.263 -1.107
49 2HD ARG 8 HD1 ARG 8 11.035 11.504 0.409
50 HE ARG 8 HE ARG 8 10.402 14.075 -0.411
51 1HH1 ARG 8 HH21 ARG 8 8.578 11.144 0.150
52 2HH1 ARG 8 HH22 ARG 8 7.149 12.002 0.607
53 1HH2 ARG 8 HH11 ARG 8 8.530 15.144 0.187
54 2HH2 ARG 8 HH12 ARG 8 7.119 14.242 0.629
55 HA PRO 9 HA PRO 9 16.292 9.836 1.951
56 1HB PRO 9 HB2 PRO 9 14.876 10.636 4.145
57 2HB PRO 9 HB1 PRO 9 16.096 11.643 3.351
58 1HG PRO 9 HG2 PRO 9 13.137 11.843 3.264
59 2HG PRO 9 HG1 PRO 9 14.360 13.117 3.150
60 1HD PRO 9 HD2 PRO 9 12.950 12.034 0.990
61 2HD PRO 9 HD1 PRO 9 14.458 12.966 0.872
62 H CYS 10 HN CYS 10 16.010 7.692 2.437
63 HA CYS 10 HA CYS 10 13.614 6.246 2.013
64 1HB CYS 10 HB2 CYS 10 16.030 5.598 3.726
65 2HB CYS 10 HB1 CYS 10 14.733 4.449 3.409
66 H ALA 11 HN ALA 11 12.570 4.895 3.893
67 HA ALA 11 HA ALA 11 12.214 6.598 6.317
68 1HB ALA 11 HB1 ALA 11 10.285 7.240 5.179
69 2HB ALA 11 HB2 ALA 11 9.699 5.840 6.078
70 3HB ALA 11 HB3 ALA 11 10.119 5.680 4.373
71 H ALA 12 HN ALA 12 11.359 5.404 8.158
72 HA ALA 12 HA ALA 12 12.542 2.908 8.651
73 1HB ALA 12 HB1 ALA 12 10.229 4.368 9.890
74 2HB ALA 12 HB2 ALA 12 11.816 4.014 10.572
75 3HB ALA 12 HB3 ALA 12 10.614 2.732 10.424
76 H CYS 13 HN CYS 13 9.005 3.324 8.240
77 HA CYS 13 HA CYS 13 8.330 0.627 7.913
78 1HB CYS 13 HB2 CYS 13 6.343 1.453 6.636
79 2HB CYS 13 HB1 CYS 13 6.616 2.333 8.138
80 H CYS 14 HN CYS 14 9.738 2.788 5.465
81 HA CYS 14 HA CYS 14 8.319 1.112 3.456
82 1HB CYS 14 HB2 CYS 14 8.643 4.113 3.644
83 2HB CYS 14 HB1 CYS 14 7.833 3.278 2.322
84 HA PRO 15 HA PRO 15 12.290 1.191 1.354
85 1HB PRO 15 HB2 PRO 15 11.578 -0.397 -0.745
86 2HB PRO 15 HB1 PRO 15 11.920 -1.030 0.872
87 1HG PRO 15 HG2 PRO 15 9.348 -0.777 -0.531
88 2HG PRO 15 HG1 PRO 15 9.802 -1.838 0.809
89 1HD PRO 15 HD2 PRO 15 8.297 0.595 0.953
90 2HD PRO 15 HD1 PRO 15 8.842 -0.423 2.304
91 H CYS 16 HN CYS 16 13.046 1.753 -0.942
92 HA CYS 16 HA CYS 16 11.765 4.180 -1.818
93 1HB CYS 16 HB2 CYS 16 13.800 2.514 -3.321
94 2HB CYS 16 HB1 CYS 16 13.430 4.215 -3.588
95 H CYS 17 HN CYS 17 10.832 4.529 -3.971
96 HA CYS 17 HA CYS 17 8.721 2.765 -4.642
97 1HB CYS 17 HB2 CYS 17 10.142 4.895 -6.255
98 2HB CYS 17 HB1 CYS 17 8.628 4.162 -6.738
99 HA PRO 18 HA PRO 18 10.526 -0.333 -7.260
100 1HB PRO 18 HB2 PRO 18 8.779 -0.477 -9.368
101 2HB PRO 18 HB1 PRO 18 8.433 -1.138 -7.762
102 1HG PRO 18 HG2 PRO 18 7.460 1.383 -9.021
103 2HG PRO 18 HG1 PRO 18 6.618 0.265 -7.935
104 1HD PRO 18 HD2 PRO 18 7.680 2.657 -7.113
105 2HD PRO 18 HD1 PRO 18 7.461 1.269 -6.037
106 H GLY 19 HN GLY 19 12.404 0.171 -8.253
107 1HA GLY 19 HA2 GLY 19 13.341 0.642 -10.577
108 2HA GLY 19 HA1 GLY 19 12.380 2.126 -10.521
109 H THR 20 HN THR 20 12.773 2.683 -7.783
110 HA THR 20 HA THR 20 15.578 3.675 -7.809
111 HB THR 20 HB THR 20 14.808 5.232 -6.072
112 HG1 THR 20 HG1 THR 20 12.294 3.935 -6.302
113 1HG2 THR 20 HG21 THR 20 12.928 4.937 -8.426
114 2HG2 THR 20 HG22 THR 20 14.351 5.972 -8.314
115 3HG2 THR 20 HG23 THR 20 12.918 6.334 -7.351
116 H SER 21 HN SER 21 16.856 3.382 -5.818
117 HA SER 21 HA SER 21 15.895 1.093 -4.139
118 1HB SER 21 HB2 SER 21 18.614 0.763 -4.109
119 2HB SER 21 HB1 SER 21 17.515 -0.109 -5.171
120 HG SER 21 HG SER 21 18.001 1.253 -6.803
121 H CYS 22 HN CYS 22 16.951 0.962 -1.996
122 HA CYS 22 HA CYS 22 17.469 3.687 -0.936
123 1HB CYS 22 HB2 CYS 22 15.757 2.167 0.147
124 2HB CYS 22 HB1 CYS 22 17.089 1.129 0.643
125 H LYS 23 HN LYS 23 19.422 4.261 -0.193
126 HA LYS 23 HA LYS 23 21.496 2.198 0.299
127 1HB LYS 23 HB2 LYS 23 23.153 3.605 -0.987
128 2HB LYS 23 HB1 LYS 23 21.930 2.833 -1.993
129 1HG LYS 23 HG2 LYS 23 20.671 5.175 -1.443
130 2HG LYS 23 HG1 LYS 23 22.347 5.711 -1.395
131 1HD LYS 23 HD2 LYS 23 21.902 5.950 -3.658
132 2HD LYS 23 HD1 LYS 23 22.520 4.298 -3.630
133 1HE LYS 23 HE2 LYS 23 19.575 4.847 -3.276
134 2HE LYS 23 HE1 LYS 23 20.287 4.743 -4.886
135 1HZ LYS 23 HZ1 LYS 23 21.292 2.567 -4.020
136 2HZ LYS 23 HZ2 LYS 23 19.646 2.582 -4.441
137 3HZ LYS 23 HZ3 LYS 23 20.108 2.658 -2.809
138 H ALA 24 HN ALA 24 23.525 3.395 1.261
139 HA ALA 24 HA ALA 24 22.516 5.493 3.137
140 1HB ALA 24 HB1 ALA 24 23.841 4.583 4.843
141 2HB ALA 24 HB2 ALA 24 24.911 3.763 3.706
142 3HB ALA 24 HB3 ALA 24 23.286 3.141 3.993
143 H GLU 25 HN GLU 25 24.181 7.091 3.815
144 HA GLU 25 HA GLU 25 26.262 7.490 1.749
145 1HB GLU 25 HB2 GLU 25 24.105 9.256 2.668
146 2HB GLU 25 HB1 GLU 25 25.690 10.024 2.706
147 1HG GLU 25 HG2 GLU 25 26.062 9.370 0.350
148 2HG GLU 25 HG1 GLU 25 24.467 8.618 0.313
149 H SER 26 HN SER 26 27.837 9.293 2.689
150 HA SER 26 HA SER 26 29.100 8.118 5.009
151 1HB SER 26 HB2 SER 26 29.898 9.806 2.938
152 2HB SER 26 HB1 SER 26 29.993 10.829 4.368
153 HG SER 26 HG SER 26 31.607 9.670 5.065
154 H ASN 27 HN ASN 27 27.035 10.928 4.468
155 HA ASN 27 HA ASN 27 27.405 12.243 6.945
156 1HB ASN 27 HB2 ASN 27 25.079 13.134 6.557
157 2HB ASN 27 HB1 ASN 27 26.172 13.339 5.190
158 1HD2 ASN 27 HD21 ASN 27 24.397 13.321 3.631
159 2HD2 ASN 27 HD22 ASN 27 23.551 11.894 3.272
160 H GLY 28 HN GLY 28 25.858 9.243 6.286
161 1HA GLY 28 HA2 GLY 28 25.402 7.713 8.140
162 2HA GLY 28 HA1 GLY 28 24.991 9.113 9.129
163 H VAL 29 HN VAL 29 23.503 10.068 6.492
164 HA VAL 29 HA VAL 29 20.969 8.696 7.221
165 HB VAL 29 HB VAL 29 21.370 11.165 5.512
166 1HG1 VAL 29 HG11 VAL 29 18.916 11.457 6.361
167 2HG1 VAL 29 HG12 VAL 29 18.998 9.724 6.675
168 3HG1 VAL 29 HG13 VAL 29 19.228 10.336 5.037
169 1HG2 VAL 29 HG21 VAL 29 20.806 12.456 7.499
170 2HG2 VAL 29 HG22 VAL 29 22.196 11.433 7.866
171 3HG2 VAL 29 HG23 VAL 29 20.591 10.979 8.438
172 H SER 30 HN SER 30 19.676 7.716 5.656
173 HA SER 30 HA SER 30 21.137 6.964 3.175
174 1HB SER 30 HB2 SER 30 18.956 5.656 4.779
175 2HB SER 30 HB1 SER 30 19.266 5.168 3.121
176 HG SER 30 HG SER 30 20.562 4.451 5.313
177 H TYR 31 HN TYR 31 20.120 7.192 1.158
178 HA TYR 31 HA TYR 31 17.446 8.482 1.070
179 1HB TYR 31 HB2 TYR 31 19.910 9.412 -0.428
180 2HB TYR 31 HB1 TYR 31 18.287 10.040 -0.663
181 HD1 TYR 31 HD1 TYR 31 21.144 9.840 1.661
182 HD2 TYR 31 HD2 TYR 31 17.241 11.500 0.980
183 HE1 TYR 31 HE1 TYR 31 21.489 11.421 3.539
184 HE2 TYR 31 HE2 TYR 31 17.586 13.081 2.860
185 HH TYR 31 HH TYR 31 20.592 13.677 4.230
186 H CYS 32 HN CYS 32 16.471 8.279 -1.103
187 HA CYS 32 HA CYS 32 17.222 5.721 -2.370
188 1HB CYS 32 HB2 CYS 32 14.931 7.584 -2.991
189 2HB CYS 32 HB1 CYS 32 15.151 5.974 -3.657
190 H ARG 33 HN ARG 33 17.556 5.614 -4.688
191 HA ARG 33 HA ARG 33 18.091 8.110 -6.125
192 1HB ARG 33 HB2 ARG 33 20.193 6.729 -4.810
193 2HB ARG 33 HB1 ARG 33 20.353 6.330 -6.521
194 1HG ARG 33 HG2 ARG 33 21.601 8.353 -6.120
195 2HG ARG 33 HG1 ARG 33 20.149 8.791 -7.023
196 1HD ARG 33 HD2 ARG 33 19.199 9.882 -5.235
197 2HD ARG 33 HD1 ARG 33 19.938 8.802 -4.058
198 HE ARG 33 HE ARG 33 21.789 10.258 -3.950
199 1HH1 ARG 33 HH21 ARG 33 19.855 10.961 -6.779
200 2HH1 ARG 33 HH22 ARG 33 20.749 12.392 -7.158
201 1HH2 ARG 33 HH11 ARG 33 22.919 12.115 -4.480
202 2HH2 ARG 33 HH12 ARG 33 22.464 13.040 -5.872
203 H LYS 34 HN LYS 34 17.351 7.775 -8.171
204 HA LYS 34 HA LYS 34 16.153 5.349 -8.979
205 1HB LYS 34 HB2 LYS 34 16.215 7.892 -9.984
206 2HB LYS 34 HB1 LYS 34 17.203 7.043 -11.173
207 1HG LYS 34 HG2 LYS 34 15.463 5.642 -11.822
208 2HG LYS 34 HG1 LYS 34 14.610 5.820 -10.289
209 1HD LYS 34 HD2 LYS 34 13.287 7.229 -11.515
210 2HD LYS 34 HD1 LYS 34 14.560 8.390 -11.138
211 1HE LYS 34 HE2 LYS 34 14.515 8.634 -13.431
212 2HE LYS 34 HE1 LYS 34 15.672 7.308 -13.314
213 1HZ LYS 34 HZ1 LYS 34 12.754 7.063 -13.800
214 2HZ LYS 34 HZ2 LYS 34 13.813 5.752 -13.584
215 3HZ LYS 34 HZ3 LYS 34 13.990 6.779 -14.926
216 H ASP 35 HN ASP 35 16.827 3.681 -10.343
217 HA ASP 35 HA ASP 35 19.532 2.828 -10.118
218 1HB ASP 35 HB2 ASP 35 17.201 1.945 -11.807
219 2HB ASP 35 HB1 ASP 35 18.794 1.223 -12.038
220 H GLU 36 HN GLU 36 21.020 2.419 -11.991
221 HA GLU 36 HA GLU 36 20.928 4.719 -13.894
222 1HB GLU 36 HB2 GLU 36 23.314 3.036 -13.070
223 2HB GLU 36 HB1 GLU 36 23.351 4.498 -14.056
224 1HG GLU 36 HG2 GLU 36 23.762 5.530 -12.063
225 2HG GLU 36 HG1 GLU 36 22.013 5.416 -11.867
226 HA PRO 37 HA PRO 37 20.592 1.738 -17.196
227 1HB PRO 37 HB2 PRO 37 21.302 3.355 -19.275
228 2HB PRO 37 HB1 PRO 37 19.751 3.486 -18.432
229 1HG PRO 37 HG2 PRO 37 22.076 5.286 -18.356
230 2HG PRO 37 HG1 PRO 37 20.383 5.615 -17.968
231 1HD PRO 37 HD2 PRO 37 22.530 5.145 -16.130
232 2HD PRO 37 HD1 PRO 37 20.812 5.389 -15.750
Start of MODEL 8
1 1H ALA 1 HT1 ALA 1 3.227 -1.681 2.232
2 2H ALA 1 HT2 ALA 1 3.968 -0.167 2.444
3 3H ALA 1 HT3 ALA 1 3.803 -0.824 0.886
4 HA ALA 1 HA ALA 1 2.145 0.836 1.098
5 1HB ALA 1 HB1 ALA 1 0.045 -0.667 1.135
6 2HB ALA 1 HB2 ALA 1 1.166 -2.007 1.376
7 3HB ALA 1 HB3 ALA 1 1.269 -1.023 -0.084
8 H ILE 2 HN ILE 2 2.372 2.065 3.038
9 HA ILE 2 HA ILE 2 1.305 1.012 5.560
10 HB ILE 2 HB ILE 2 3.252 2.551 5.532
11 1HG1 ILE 2 HG12 ILE 2 0.975 4.052 6.810
12 2HG1 ILE 2 HG11 ILE 2 1.432 2.456 7.406
13 1HG2 ILE 2 HG21 ILE 2 2.701 3.944 3.631
14 2HG2 ILE 2 HG22 ILE 2 2.792 4.981 5.055
15 3HG2 ILE 2 HG23 ILE 2 1.221 4.502 4.411
16 1HD1 ILE 2 HD11 ILE 2 3.865 3.460 7.382
17 2HD1 ILE 2 HD12 ILE 2 2.777 3.834 8.719
18 3HD1 ILE 2 HD13 ILE 2 3.016 5.006 7.423
19 H CYS 3 HN CYS 3 -0.449 2.233 6.719
20 HA CYS 3 HA CYS 3 -2.518 3.145 4.776
21 1HB CYS 3 HB2 CYS 3 -4.149 2.493 6.540
22 2HB CYS 3 HB1 CYS 3 -3.181 1.138 5.975
23 H THR 4 HN THR 4 -4.116 4.739 5.829
24 HA THR 4 HA THR 4 -2.563 6.981 6.888
25 HB THR 4 HB THR 4 -5.550 6.741 6.409
26 HG1 THR 4 HG1 THR 4 -4.918 6.737 4.418
27 1HG2 THR 4 HG21 THR 4 -3.892 9.259 6.440
28 2HG2 THR 4 HG22 THR 4 -4.590 8.610 7.924
29 3HG2 THR 4 HG23 THR 4 -5.642 9.093 6.593
30 H GLY 5 HN GLY 5 -5.665 5.610 8.045
31 1HA GLY 5 HA2 GLY 5 -5.525 4.592 10.402
32 2HA GLY 5 HA1 GLY 5 -4.700 6.089 10.827
33 H ALA 6 HN ALA 6 -7.387 4.816 11.569
34 HA ALA 6 HA ALA 6 -9.571 6.286 10.592
35 1HB ALA 6 HB1 ALA 6 -10.045 6.009 13.354
36 2HB ALA 6 HB2 ALA 6 -9.005 4.653 12.918
37 3HB ALA 6 HB3 ALA 6 -10.534 4.898 12.075
38 H ASP 7 HN ASP 7 -10.740 8.074 11.669
39 HA ASP 7 HA ASP 7 -10.825 10.297 12.382
40 1HB ASP 7 HB2 ASP 7 -8.990 8.913 14.268
41 2HB ASP 7 HB1 ASP 7 -9.034 10.671 14.335
42 H ARG 8 HN ARG 8 -8.746 9.438 10.267
43 HA ARG 8 HA ARG 8 -7.161 11.968 10.389
44 1HB ARG 8 HB2 ARG 8 -6.125 9.316 10.533
45 2HB ARG 8 HB1 ARG 8 -5.714 9.938 8.936
46 1HG ARG 8 HG2 ARG 8 -3.954 10.892 10.027
47 2HG ARG 8 HG1 ARG 8 -5.143 12.107 10.497
48 1HD ARG 8 HD2 ARG 8 -5.614 10.846 12.569
49 2HD ARG 8 HD1 ARG 8 -4.417 9.637 12.102
50 HE ARG 8 HE ARG 8 -3.849 12.253 13.237
51 1HH1 ARG 8 HH21 ARG 8 -2.641 9.725 11.145
52 2HH1 ARG 8 HH22 ARG 8 -0.989 10.174 11.389
53 1HH2 ARG 8 HH11 ARG 8 -1.698 12.798 13.527
54 2HH2 ARG 8 HH12 ARG 8 -0.459 11.894 12.723
55 HA PRO 9 HA PRO 9 -8.642 12.551 6.260
56 1HB PRO 9 HB2 PRO 9 -6.567 13.901 5.104
57 2HB PRO 9 HB1 PRO 9 -7.662 14.623 6.294
58 1HG PRO 9 HG2 PRO 9 -4.865 13.684 6.625
59 2HG PRO 9 HG1 PRO 9 -5.721 14.997 7.446
60 1HD PRO 9 HD2 PRO 9 -5.219 12.473 8.538
61 2HD PRO 9 HD1 PRO 9 -6.435 13.625 9.129
62 H CYS 10 HN CYS 10 -8.812 11.079 4.622
63 HA CYS 10 HA CYS 10 -7.000 8.962 4.127
64 1HB CYS 10 HB2 CYS 10 -9.120 10.232 2.377
65 2HB CYS 10 HB1 CYS 10 -8.217 8.801 1.886
66 H ALA 11 HN ALA 11 -6.002 8.673 1.795
67 HA ALA 11 HA ALA 11 -4.756 11.205 0.851
68 1HB ALA 11 HB1 ALA 11 -3.021 10.535 2.265
69 2HB ALA 11 HB2 ALA 11 -2.554 9.776 0.743
70 3HB ALA 11 HB3 ALA 11 -3.336 8.820 2.002
71 H ALA 12 HN ALA 12 -3.825 11.007 -1.296
72 HA ALA 12 HA ALA 12 -5.370 9.615 -3.183
73 1HB ALA 12 HB1 ALA 12 -2.485 10.516 -3.414
74 2HB ALA 12 HB2 ALA 12 -3.912 11.475 -3.806
75 3HB ALA 12 HB3 ALA 12 -3.509 10.056 -4.774
76 H CYS 13 HN CYS 13 -1.982 8.745 -2.387
77 HA CYS 13 HA CYS 13 -1.903 6.254 -3.661
78 1HB CYS 13 HB2 CYS 13 -0.113 5.657 -2.026
79 2HB CYS 13 HB1 CYS 13 0.099 7.265 -2.715
80 H CYS 14 HN CYS 14 -3.366 6.995 -0.510
81 HA CYS 14 HA CYS 14 -2.815 4.160 0.208
82 1HB CYS 14 HB2 CYS 14 -2.477 6.695 1.821
83 2HB CYS 14 HB1 CYS 14 -2.153 5.072 2.422
84 HA PRO 15 HA PRO 15 -7.079 4.288 1.634
85 1HB PRO 15 HB2 PRO 15 -7.264 1.653 2.313
86 2HB PRO 15 HB1 PRO 15 -7.333 2.229 0.641
87 1HG PRO 15 HG2 PRO 15 -5.190 0.771 2.027
88 2HG PRO 15 HG1 PRO 15 -5.522 0.910 0.296
89 1HD PRO 15 HD2 PRO 15 -3.538 2.322 1.807
90 2HD PRO 15 HD1 PRO 15 -3.934 2.521 0.086
91 H CYS 16 HN CYS 16 -8.244 3.607 3.719
92 HA CYS 16 HA CYS 16 -6.710 4.485 6.007
93 1HB CYS 16 HB2 CYS 16 -9.418 3.129 5.970
94 2HB CYS 16 HB1 CYS 16 -8.742 4.077 7.292
95 H CYS 17 HN CYS 17 -6.297 3.205 7.937
96 HA CYS 17 HA CYS 17 -4.983 0.733 7.495
97 1HB CYS 17 HB2 CYS 17 -6.174 1.915 10.019
98 2HB CYS 17 HB1 CYS 17 -5.020 0.597 9.990
99 HA PRO 18 HA PRO 18 -8.199 -2.333 7.582
100 1HB PRO 18 HB2 PRO 18 -7.211 -4.253 9.274
101 2HB PRO 18 HB1 PRO 18 -6.628 -4.009 7.619
102 1HG PRO 18 HG2 PRO 18 -5.397 -3.166 10.202
103 2HG PRO 18 HG1 PRO 18 -4.622 -3.750 8.719
104 1HD PRO 18 HD2 PRO 18 -4.710 -1.106 9.421
105 2HD PRO 18 HD1 PRO 18 -4.614 -1.658 7.742
106 H GLY 19 HN GLY 19 -10.128 -2.155 8.597
107 1HA GLY 19 HA2 GLY 19 -11.495 -2.553 10.634
108 2HA GLY 19 HA1 GLY 19 -10.183 -1.830 11.573
109 H THR 20 HN THR 20 -9.620 0.265 9.721
110 HA THR 20 HA THR 20 -11.904 2.087 10.275
111 HB THR 20 HB THR 20 -10.303 3.891 9.954
112 HG1 THR 20 HG1 THR 20 -8.215 3.449 9.239
113 1HG2 THR 20 HG21 THR 20 -8.480 3.163 11.584
114 2HG2 THR 20 HG22 THR 20 -9.222 1.565 11.557
115 3HG2 THR 20 HG23 THR 20 -10.137 2.951 12.146
116 H SER 21 HN SER 21 -12.615 3.515 8.486
117 HA SER 21 HA SER 21 -11.861 2.548 5.766
118 1HB SER 21 HB2 SER 21 -14.698 3.078 5.818
119 2HB SER 21 HB1 SER 21 -13.854 1.607 5.355
120 HG SER 21 HG SER 21 -15.368 1.606 7.263
121 H CYS 22 HN CYS 22 -11.971 4.141 4.154
122 HA CYS 22 HA CYS 22 -11.769 6.860 4.937
123 1HB CYS 22 HB2 CYS 22 -10.996 5.677 2.744
124 2HB CYS 22 HB1 CYS 22 -12.615 6.060 2.162
125 H LYS 23 HN LYS 23 -13.214 8.535 4.818
126 HA LYS 23 HA LYS 23 -16.073 7.926 4.227
127 1HB LYS 23 HB2 LYS 23 -14.872 8.791 6.807
128 2HB LYS 23 HB1 LYS 23 -16.345 9.629 6.324
129 1HG LYS 23 HG2 LYS 23 -17.191 7.803 7.509
130 2HG LYS 23 HG1 LYS 23 -17.241 7.212 5.847
131 1HD LYS 23 HD2 LYS 23 -15.522 5.727 6.180
132 2HD LYS 23 HD1 LYS 23 -14.711 6.772 7.345
133 1HE LYS 23 HE2 LYS 23 -15.502 5.019 8.691
134 2HE LYS 23 HE1 LYS 23 -16.753 6.247 8.879
135 1HZ LYS 23 HZ1 LYS 23 -16.859 4.043 6.894
136 2HZ LYS 23 HZ2 LYS 23 -18.092 5.157 7.248
137 3HZ LYS 23 HZ3 LYS 23 -17.628 4.002 8.405
138 H ALA 24 HN ALA 24 -17.300 10.207 4.411
139 HA ALA 24 HA ALA 24 -15.565 12.318 3.201
140 1HB ALA 24 HB1 ALA 24 -18.399 11.937 2.277
141 2HB ALA 24 HB2 ALA 24 -17.126 10.925 1.596
142 3HB ALA 24 HB3 ALA 24 -17.042 12.678 1.428
143 H GLU 25 HN GLU 25 -16.336 14.499 3.610
144 HA GLU 25 HA GLU 25 -18.398 14.674 5.723
145 1HB GLU 25 HB2 GLU 25 -15.612 15.581 5.711
146 2HB GLU 25 HB1 GLU 25 -16.745 16.851 6.153
147 1HG GLU 25 HG2 GLU 25 -16.069 15.675 8.172
148 2HG GLU 25 HG1 GLU 25 -17.757 15.293 7.834
149 H SER 26 HN SER 26 -19.103 17.057 5.925
150 HA SER 26 HA SER 26 -20.198 17.874 3.371
151 1HB SER 26 HB2 SER 26 -20.819 18.322 6.061
152 2HB SER 26 HB1 SER 26 -20.348 19.908 5.461
153 HG SER 26 HG SER 26 -21.917 19.793 3.930
154 H ASN 27 HN ASN 27 -17.495 18.902 5.372
155 HA ASN 27 HA ASN 27 -16.952 21.404 4.165
156 1HB ASN 27 HB2 ASN 27 -14.582 20.987 4.908
157 2HB ASN 27 HB1 ASN 27 -15.785 20.772 6.177
158 1HD2 ASN 27 HD21 ASN 27 -14.332 19.258 7.313
159 2HD2 ASN 27 HD22 ASN 27 -14.112 17.676 6.738
160 H GLY 28 HN GLY 28 -16.629 18.238 2.860
161 1HA GLY 28 HA2 GLY 28 -16.345 17.972 0.447
162 2HA GLY 28 HA1 GLY 28 -15.322 19.408 0.457
163 H VAL 29 HN VAL 29 -14.177 18.024 3.104
164 HA VAL 29 HA VAL 29 -12.098 16.523 1.602
165 HB VAL 29 HB VAL 29 -12.072 17.471 4.481
166 1HG1 VAL 29 HG11 VAL 29 -10.505 15.671 4.126
167 2HG1 VAL 29 HG12 VAL 29 -9.582 17.174 4.141
168 3HG1 VAL 29 HG13 VAL 29 -9.952 16.382 2.609
169 1HG2 VAL 29 HG21 VAL 29 -12.045 19.496 3.356
170 2HG2 VAL 29 HG22 VAL 29 -11.357 18.792 1.892
171 3HG2 VAL 29 HG23 VAL 29 -10.328 19.098 3.291
172 H SER 30 HN SER 30 -11.503 14.421 2.224
173 HA SER 30 HA SER 30 -13.626 12.994 3.745
174 1HB SER 30 HB2 SER 30 -11.744 12.184 1.557
175 2HB SER 30 HB1 SER 30 -12.449 10.960 2.598
176 HG SER 30 HG SER 30 -14.197 11.164 1.465
177 H TYR 31 HN TYR 31 -13.062 11.636 5.442
178 HA TYR 31 HA TYR 31 -10.204 11.366 6.173
179 1HB TYR 31 HB2 TYR 31 -12.325 12.170 8.160
180 2HB TYR 31 HB1 TYR 31 -10.604 12.035 8.441
181 HD1 TYR 31 HD1 TYR 31 -13.182 13.967 6.583
182 HD2 TYR 31 HD2 TYR 31 -9.111 13.821 7.946
183 HE1 TYR 31 HE1 TYR 31 -12.873 16.336 5.917
184 HE2 TYR 31 HE2 TYR 31 -8.802 16.189 7.278
185 HH TYR 31 HH TYR 31 -10.563 18.258 6.986
186 H CYS 32 HN CYS 32 -9.789 9.485 7.374
187 HA CYS 32 HA CYS 32 -11.608 7.287 7.011
188 1HB CYS 32 HB2 CYS 32 -9.259 7.453 8.895
189 2HB CYS 32 HB1 CYS 32 -10.040 5.980 8.343
190 H ARG 33 HN ARG 33 -12.428 5.970 8.861
191 HA ARG 33 HA ARG 33 -12.953 7.400 11.366
192 1HB ARG 33 HB2 ARG 33 -14.880 7.342 9.235
193 2HB ARG 33 HB1 ARG 33 -15.471 6.296 10.526
194 1HG ARG 33 HG2 ARG 33 -16.272 8.482 11.044
195 2HG ARG 33 HG1 ARG 33 -14.910 8.203 12.130
196 1HD ARG 33 HD2 ARG 33 -13.671 9.845 11.179
197 2HD ARG 33 HD1 ARG 33 -14.117 9.340 9.551
198 HE ARG 33 HE ARG 33 -15.843 10.946 9.573
199 1HH1 ARG 33 HH21 ARG 33 -14.671 10.379 12.820
200 2HH1 ARG 33 HH22 ARG 33 -15.600 11.675 13.489
201 1HH2 ARG 33 HH11 ARG 33 -17.028 12.612 10.482
202 2HH2 ARG 33 HH12 ARG 33 -16.920 12.926 12.182
203 H LYS 34 HN LYS 34 -12.559 5.879 12.867
204 HA LYS 34 HA LYS 34 -12.118 3.140 12.248
205 1HB LYS 34 HB2 LYS 34 -12.162 2.777 14.721
206 2HB LYS 34 HB1 LYS 34 -11.165 4.156 14.261
207 1HG LYS 34 HG2 LYS 34 -13.484 5.453 14.579
208 2HG LYS 34 HG1 LYS 34 -13.795 4.105 15.673
209 1HD LYS 34 HD2 LYS 34 -11.211 5.658 15.799
210 2HD LYS 34 HD1 LYS 34 -12.649 6.198 16.667
211 1HE LYS 34 HE2 LYS 34 -12.665 4.336 18.073
212 2HE LYS 34 HE1 LYS 34 -11.747 3.346 16.939
213 1HZ LYS 34 HZ1 LYS 34 -9.892 5.042 17.360
214 2HZ LYS 34 HZ2 LYS 34 -10.207 3.881 18.561
215 3HZ LYS 34 HZ3 LYS 34 -10.779 5.471 18.741
216 H ASP 35 HN ASP 35 -13.409 1.334 12.368
217 HA ASP 35 HA ASP 35 -16.210 1.616 11.932
218 1HB ASP 35 HB2 ASP 35 -14.362 -0.679 12.453
219 2HB ASP 35 HB1 ASP 35 -16.099 -0.960 12.575
220 H GLU 36 HN GLU 36 -17.793 0.230 13.391
221 HA GLU 36 HA GLU 36 -17.223 0.756 16.272
222 1HB GLU 36 HB2 GLU 36 -19.643 1.601 14.670
223 2HB GLU 36 HB1 GLU 36 -19.706 1.424 16.424
224 1HG GLU 36 HG2 GLU 36 -17.504 2.912 16.303
225 2HG GLU 36 HG1 GLU 36 -18.217 3.424 14.772
226 HA PRO 37 HA PRO 37 -18.940 -3.499 15.731
227 1HB PRO 37 HB2 PRO 37 -16.891 -4.796 16.983
228 2HB PRO 37 HB1 PRO 37 -16.867 -4.377 15.263
229 1HG PRO 37 HG2 PRO 37 -15.320 -3.232 17.479
230 2HG PRO 37 HG1 PRO 37 -15.007 -3.175 15.739
231 1HD PRO 37 HD2 PRO 37 -16.136 -1.108 17.398
232 2HD PRO 37 HD1 PRO 37 -15.825 -1.057 15.649
Start of MODEL 9
1 1H ALA 1 HT1 ALA 1 -1.099 -2.137 0.156
2 2H ALA 1 HT2 ALA 1 -0.565 -2.395 1.748
3 3H ALA 1 HT3 ALA 1 0.390 -2.899 0.436
4 HA ALA 1 HA ALA 1 1.357 -0.916 1.286
5 1HB ALA 1 HB1 ALA 1 1.329 0.440 -0.694
6 2HB ALA 1 HB2 ALA 1 -0.273 -0.144 -1.146
7 3HB ALA 1 HB3 ALA 1 1.116 -1.227 -1.228
8 H ILE 2 HN ILE 2 0.741 1.680 0.943
9 HA ILE 2 HA ILE 2 -1.039 2.266 3.107
10 HB ILE 2 HB ILE 2 0.803 3.769 2.423
11 1HG1 ILE 2 HG12 ILE 2 -0.526 5.918 2.428
12 2HG1 ILE 2 HG11 ILE 2 -1.987 4.947 2.270
13 1HG2 ILE 2 HG21 ILE 2 0.516 3.400 -0.040
14 2HG2 ILE 2 HG22 ILE 2 0.644 5.104 0.397
15 3HG2 ILE 2 HG23 ILE 2 -0.931 4.407 0.019
16 1HD1 ILE 2 HD11 ILE 2 -0.607 3.738 4.377
17 2HD1 ILE 2 HD12 ILE 2 -1.995 4.815 4.526
18 3HD1 ILE 2 HD13 ILE 2 -0.360 5.465 4.637
19 H CYS 3 HN CYS 3 -3.142 3.238 3.042
20 HA CYS 3 HA CYS 3 -4.605 2.774 0.482
21 1HB CYS 3 HB2 CYS 3 -6.600 2.389 1.924
22 2HB CYS 3 HB1 CYS 3 -5.325 1.209 2.196
23 H THR 4 HN THR 4 -6.673 4.171 0.406
24 HA THR 4 HA THR 4 -5.874 6.957 0.816
25 HB THR 4 HB THR 4 -8.463 5.782 -0.255
26 HG1 THR 4 HG1 THR 4 -7.513 6.197 -2.251
27 1HG2 THR 4 HG21 THR 4 -8.378 8.233 0.624
28 2HG2 THR 4 HG22 THR 4 -9.028 7.946 -0.989
29 3HG2 THR 4 HG23 THR 4 -7.379 8.540 -0.796
30 H GLY 5 HN GLY 5 -9.012 5.422 1.601
31 1HA GLY 5 HA2 GLY 5 -9.437 5.270 4.151
32 2HA GLY 5 HA1 GLY 5 -9.014 6.981 4.138
33 H ALA 6 HN ALA 6 -11.585 5.473 4.728
34 HA ALA 6 HA ALA 6 -13.555 5.883 2.763
35 1HB ALA 6 HB1 ALA 6 -14.765 6.567 5.227
36 2HB ALA 6 HB2 ALA 6 -13.506 5.393 5.606
37 3HB ALA 6 HB3 ALA 6 -14.760 4.993 4.434
38 H ASP 7 HN ASP 7 -15.257 7.597 2.783
39 HA ASP 7 HA ASP 7 -15.822 9.828 2.369
40 1HB ASP 7 HB2 ASP 7 -14.533 9.751 5.048
41 2HB ASP 7 HB1 ASP 7 -14.822 11.337 4.341
42 H ARG 8 HN ARG 8 -13.138 8.814 1.324
43 HA ARG 8 HA ARG 8 -11.973 11.516 0.796
44 1HB ARG 8 HB2 ARG 8 -10.718 9.391 2.203
45 2HB ARG 8 HB1 ARG 8 -9.944 9.464 0.622
46 1HG ARG 8 HG2 ARG 8 -10.095 12.120 1.268
47 2HG ARG 8 HG1 ARG 8 -9.875 11.394 2.859
48 1HD ARG 8 HD2 ARG 8 -8.129 10.322 0.716
49 2HD ARG 8 HD1 ARG 8 -7.811 11.988 1.199
50 HE ARG 8 HE ARG 8 -8.056 10.537 3.587
51 1HH1 ARG 8 HH21 ARG 8 -6.005 10.487 0.755
52 2HH1 ARG 8 HH22 ARG 8 -4.649 9.861 1.626
53 1HH2 ARG 8 HH11 ARG 8 -6.277 9.729 4.673
54 2HH2 ARG 8 HH12 ARG 8 -4.798 9.437 3.820
55 HA PRO 9 HA PRO 9 -12.241 10.287 -3.453
56 1HB PRO 9 HB2 PRO 9 -10.142 11.651 -4.544
57 2HB PRO 9 HB1 PRO 9 -11.636 12.431 -4.004
58 1HG PRO 9 HG2 PRO 9 -8.959 12.396 -2.731
59 2HG PRO 9 HG1 PRO 9 -10.220 13.637 -2.679
60 1HD PRO 9 HD2 PRO 9 -9.660 11.799 -0.636
61 2HD PRO 9 HD1 PRO 9 -11.146 12.759 -0.785
62 H CYS 10 HN CYS 10 -11.688 8.343 -4.344
63 HA CYS 10 HA CYS 10 -9.550 6.695 -3.558
64 1HB CYS 10 HB2 CYS 10 -10.888 6.754 -6.283
65 2HB CYS 10 HB1 CYS 10 -9.994 5.398 -5.596
66 H ALA 11 HN ALA 11 -7.691 5.979 -5.016
67 HA ALA 11 HA ALA 11 -6.534 8.313 -6.486
68 1HB ALA 11 HB1 ALA 11 -4.787 6.377 -4.995
69 2HB ALA 11 HB2 ALA 11 -5.572 7.689 -4.117
70 3HB ALA 11 HB3 ALA 11 -4.464 8.053 -5.439
71 H ALA 12 HN ALA 12 -4.972 7.694 -8.162
72 HA ALA 12 HA ALA 12 -5.830 5.678 -9.913
73 1HB ALA 12 HB1 ALA 12 -3.880 6.100 -11.172
74 2HB ALA 12 HB2 ALA 12 -2.928 6.477 -9.737
75 3HB ALA 12 HB3 ALA 12 -4.153 7.611 -10.305
76 H CYS 13 HN CYS 13 -2.785 5.452 -8.028
77 HA CYS 13 HA CYS 13 -2.283 2.725 -8.440
78 1HB CYS 13 HB2 CYS 13 -1.032 2.809 -6.258
79 2HB CYS 13 HB1 CYS 13 -0.622 4.114 -7.369
80 H CYS 14 HN CYS 14 -4.583 4.138 -6.076
81 HA CYS 14 HA CYS 14 -3.881 1.766 -4.427
82 1HB CYS 14 HB2 CYS 14 -4.299 4.668 -3.698
83 2HB CYS 14 HB1 CYS 14 -4.035 3.392 -2.513
84 HA PRO 15 HA PRO 15 -8.293 1.258 -3.828
85 1HB PRO 15 HB2 PRO 15 -8.168 -0.791 -2.033
86 2HB PRO 15 HB1 PRO 15 -7.856 -1.002 -3.762
87 1HG PRO 15 HG2 PRO 15 -5.972 -1.049 -1.504
88 2HG PRO 15 HG1 PRO 15 -5.811 -1.744 -3.122
89 1HD PRO 15 HD2 PRO 15 -4.643 0.684 -2.149
90 2HD PRO 15 HD1 PRO 15 -4.562 0.026 -3.798
91 H CYS 16 HN CYS 16 -9.850 1.179 -1.883
92 HA CYS 16 HA CYS 16 -9.138 3.303 -0.026
93 1HB CYS 16 HB2 CYS 16 -11.559 1.494 0.149
94 2HB CYS 16 HB1 CYS 16 -11.374 3.109 0.826
95 H CYS 17 HN CYS 17 -9.217 3.029 2.340
96 HA CYS 17 HA CYS 17 -7.485 1.014 3.322
97 1HB CYS 17 HB2 CYS 17 -9.515 2.764 4.724
98 2HB CYS 17 HB1 CYS 17 -8.299 1.828 5.562
99 HA PRO 18 HA PRO 18 -10.049 -2.518 4.099
100 1HB PRO 18 HB2 PRO 18 -9.342 -3.277 6.640
101 2HB PRO 18 HB1 PRO 18 -8.328 -3.553 5.214
102 1HG PRO 18 HG2 PRO 18 -8.086 -1.467 7.332
103 2HG PRO 18 HG1 PRO 18 -6.817 -2.352 6.468
104 1HD PRO 18 HD2 PRO 18 -7.518 0.224 5.868
105 2HD PRO 18 HD1 PRO 18 -6.838 -0.892 4.676
106 H GLY 19 HN GLY 19 -12.186 -2.206 4.319
107 1HA GLY 19 HA2 GLY 19 -14.117 -2.191 5.884
108 2HA GLY 19 HA1 GLY 19 -13.233 -1.008 6.852
109 H THR 20 HN THR 20 -12.822 -0.508 3.504
110 HA THR 20 HA THR 20 -15.113 1.360 3.274
111 HB THR 20 HB THR 20 -13.589 3.148 2.456
112 HG1 THR 20 HG1 THR 20 -11.313 2.788 2.871
113 1HG2 THR 20 HG21 THR 20 -12.832 2.043 5.176
114 2HG2 THR 20 HG22 THR 20 -14.168 3.141 4.837
115 3HG2 THR 20 HG23 THR 20 -12.505 3.685 4.624
116 H SER 21 HN SER 21 -15.407 1.972 0.917
117 HA SER 21 HA SER 21 -13.987 0.144 -0.957
118 1HB SER 21 HB2 SER 21 -16.751 0.247 -1.741
119 2HB SER 21 HB1 SER 21 -15.771 -1.153 -1.333
120 HG SER 21 HG SER 21 -16.646 -1.192 0.584
121 H CYS 22 HN CYS 22 -13.733 0.964 -3.035
122 HA CYS 22 HA CYS 22 -14.253 3.831 -3.357
123 1HB CYS 22 HB2 CYS 22 -12.132 2.710 -4.133
124 2HB CYS 22 HB1 CYS 22 -13.077 1.917 -5.389
125 H LYS 23 HN LYS 23 -15.891 4.672 -4.460
126 HA LYS 23 HA LYS 23 -17.406 3.022 -6.404
127 1HB LYS 23 HB2 LYS 23 -19.555 3.825 -5.398
128 2HB LYS 23 HB1 LYS 23 -18.645 2.765 -4.322
129 1HG LYS 23 HG2 LYS 23 -17.604 5.042 -3.468
130 2HG LYS 23 HG1 LYS 23 -19.085 5.725 -4.137
131 1HD LYS 23 HD2 LYS 23 -19.796 5.229 -1.986
132 2HD LYS 23 HD1 LYS 23 -20.216 3.728 -2.812
133 1HE LYS 23 HE2 LYS 23 -17.492 4.055 -1.574
134 2HE LYS 23 HE1 LYS 23 -18.869 3.599 -0.572
135 1HZ LYS 23 HZ1 LYS 23 -17.564 2.110 -2.729
136 2HZ LYS 23 HZ2 LYS 23 -19.234 1.890 -2.507
137 3HZ LYS 23 HZ3 LYS 23 -18.155 1.560 -1.238
138 H ALA 24 HN ALA 24 -17.805 4.201 -8.224
139 HA ALA 24 HA ALA 24 -16.993 6.982 -8.380
140 1HB ALA 24 HB1 ALA 24 -16.970 5.198 -10.257
141 2HB ALA 24 HB2 ALA 24 -17.487 6.827 -10.690
142 3HB ALA 24 HB3 ALA 24 -18.686 5.560 -10.435
143 H GLU 25 HN GLU 25 -18.519 8.718 -9.157
144 HA GLU 25 HA GLU 25 -21.265 8.316 -8.129
145 1HB GLU 25 HB2 GLU 25 -19.393 9.844 -6.846
146 2HB GLU 25 HB1 GLU 25 -20.167 11.045 -7.877
147 1HG GLU 25 HG2 GLU 25 -21.619 11.142 -6.095
148 2HG GLU 25 HG1 GLU 25 -22.371 9.806 -6.968
149 H SER 26 HN SER 26 -22.535 10.469 -8.838
150 HA SER 26 HA SER 26 -22.652 10.364 -11.729
151 1HB SER 26 HB2 SER 26 -24.372 11.157 -9.667
152 2HB SER 26 HB1 SER 26 -24.039 12.643 -10.549
153 HG SER 26 HG SER 26 -25.440 11.884 -11.917
154 H ASN 27 HN ASN 27 -21.255 12.569 -9.369
155 HA ASN 27 HA ASN 27 -20.792 14.804 -11.044
156 1HB ASN 27 HB2 ASN 27 -18.891 15.298 -9.465
157 2HB ASN 27 HB1 ASN 27 -20.435 15.002 -8.669
158 1HD2 ASN 27 HD21 ASN 27 -19.310 14.269 -6.700
159 2HD2 ASN 27 HD22 ASN 27 -18.558 12.749 -6.646
160 H GLY 28 HN GLY 28 -19.331 11.691 -11.107
161 1HA GLY 28 HA2 GLY 28 -18.050 11.024 -13.081
162 2HA GLY 28 HA1 GLY 28 -17.424 12.669 -13.172
163 H VAL 29 HN VAL 29 -17.099 12.512 -10.093
164 HA VAL 29 HA VAL 29 -14.428 11.214 -10.201
165 HB VAL 29 HB VAL 29 -15.575 13.043 -8.074
166 1HG1 VAL 29 HG11 VAL 29 -13.106 13.343 -7.582
167 2HG1 VAL 29 HG12 VAL 29 -12.797 12.000 -8.682
168 3HG1 VAL 29 HG13 VAL 29 -13.742 11.739 -7.216
169 1HG2 VAL 29 HG21 VAL 29 -13.828 14.624 -9.266
170 2HG2 VAL 29 HG22 VAL 29 -15.458 14.464 -9.920
171 3HG2 VAL 29 HG23 VAL 29 -14.123 13.571 -10.649
172 H SER 30 HN SER 30 -13.788 9.737 -8.572
173 HA SER 30 HA SER 30 -16.093 8.386 -7.260
174 1HB SER 30 HB2 SER 30 -13.369 7.257 -7.937
175 2HB SER 30 HB1 SER 30 -14.735 6.354 -7.292
176 HG SER 30 HG SER 30 -14.379 7.527 -9.830
177 H TYR 31 HN TYR 31 -15.987 7.945 -5.042
178 HA TYR 31 HA TYR 31 -13.541 8.784 -3.575
179 1HB TYR 31 HB2 TYR 31 -16.386 9.469 -2.797
180 2HB TYR 31 HB1 TYR 31 -14.942 9.882 -1.888
181 HD1 TYR 31 HD1 TYR 31 -16.792 10.488 -5.043
182 HD2 TYR 31 HD2 TYR 31 -13.539 11.730 -2.527
183 HE1 TYR 31 HE1 TYR 31 -16.535 12.551 -6.394
184 HE2 TYR 31 HE2 TYR 31 -13.281 13.793 -3.879
185 HH TYR 31 HH TYR 31 -13.809 14.620 -6.089
186 H CYS 32 HN CYS 32 -13.384 7.747 -1.462
187 HA CYS 32 HA CYS 32 -14.562 5.056 -1.458
188 1HB CYS 32 HB2 CYS 32 -12.717 6.381 0.531
189 2HB CYS 32 HB1 CYS 32 -13.167 4.684 0.540
190 H ARG 33 HN ARG 33 -15.742 4.271 0.431
191 HA ARG 33 HA ARG 33 -16.868 6.250 2.273
192 1HB ARG 33 HB2 ARG 33 -18.261 5.565 -0.095
193 2HB ARG 33 HB1 ARG 33 -19.054 4.662 1.196
194 1HG ARG 33 HG2 ARG 33 -20.159 6.752 1.181
195 2HG ARG 33 HG1 ARG 33 -19.009 6.880 2.512
196 1HD ARG 33 HD2 ARG 33 -17.890 8.562 1.495
197 2HD ARG 33 HD1 ARG 33 -17.807 7.671 -0.021
198 HE ARG 33 HE ARG 33 -19.649 8.914 -0.782
199 1HH1 ARG 33 HH21 ARG 33 -19.484 9.050 2.710
200 2HH1 ARG 33 HH22 ARG 33 -20.782 10.186 2.827
201 1HH2 ARG 33 HH11 ARG 33 -21.323 10.386 -0.583
202 2HH2 ARG 33 HH12 ARG 33 -21.812 10.937 0.985
203 H LYS 34 HN LYS 34 -16.821 5.243 4.208
204 HA LYS 34 HA LYS 34 -16.029 2.563 4.580
205 1HB LYS 34 HB2 LYS 34 -16.847 2.836 6.927
206 2HB LYS 34 HB1 LYS 34 -15.872 4.202 6.384
207 1HG LYS 34 HG2 LYS 34 -18.339 5.036 5.605
208 2HG LYS 34 HG1 LYS 34 -18.765 4.081 7.025
209 1HD LYS 34 HD2 LYS 34 -16.970 5.348 8.290
210 2HD LYS 34 HD1 LYS 34 -16.839 6.413 6.890
211 1HE LYS 34 HE2 LYS 34 -18.439 7.604 8.016
212 2HE LYS 34 HE1 LYS 34 -19.521 6.452 7.233
213 1HZ LYS 34 HZ1 LYS 34 -19.263 5.022 9.222
214 2HZ LYS 34 HZ2 LYS 34 -20.024 6.506 9.546
215 3HZ LYS 34 HZ3 LYS 34 -18.396 6.271 9.973
216 H ASP 35 HN ASP 35 -17.068 0.698 4.233
217 HA ASP 35 HA ASP 35 -19.721 0.474 3.311
218 1HB ASP 35 HB2 ASP 35 -17.722 -1.450 4.435
219 2HB ASP 35 HB1 ASP 35 -19.383 -1.997 4.206
220 H GLU 36 HN GLU 36 -21.506 -0.776 4.469
221 HA GLU 36 HA GLU 36 -21.897 0.414 7.147
222 1HB GLU 36 HB2 GLU 36 -23.791 -1.221 5.429
223 2HB GLU 36 HB1 GLU 36 -24.221 -0.349 6.901
224 1HG GLU 36 HG2 GLU 36 -24.806 1.244 5.332
225 2HG GLU 36 HG1 GLU 36 -23.118 1.689 5.585
226 HA PRO 37 HA PRO 37 -21.199 -3.455 9.245
227 1HB PRO 37 HB2 PRO 37 -22.579 -2.960 11.546
228 2HB PRO 37 HB1 PRO 37 -21.046 -2.170 11.147
229 1HG PRO 37 HG2 PRO 37 -23.760 -1.049 11.208
230 2HG PRO 37 HG1 PRO 37 -22.199 -0.223 11.287
231 1HD PRO 37 HD2 PRO 37 -23.938 -0.480 9.011
232 2HD PRO 37 HD1 PRO 37 -22.353 0.321 9.087
Start of MODEL 10
1 1H ALA 1 HT1 ALA 1 2.419 -1.113 -2.316
2 2H ALA 1 HT2 ALA 1 3.513 -1.942 -1.314
3 3H ALA 1 HT3 ALA 1 4.064 -0.702 -2.337
4 HA ALA 1 HA ALA 1 2.202 -0.339 -0.052
5 1HB ALA 1 HB1 ALA 1 4.053 0.624 1.125
6 2HB ALA 1 HB2 ALA 1 5.070 0.594 -0.316
7 3HB ALA 1 HB3 ALA 1 4.629 -0.915 0.484
8 H ILE 2 HN ILE 2 2.136 2.078 0.468
9 HA ILE 2 HA ILE 2 1.738 3.557 -2.069
10 HB ILE 2 HB ILE 2 -0.101 3.528 -0.419
11 1HG1 ILE 2 HG12 ILE 2 1.154 6.285 -0.541
12 2HG1 ILE 2 HG11 ILE 2 0.321 5.533 -1.903
13 1HG2 ILE 2 HG21 ILE 2 0.258 4.872 1.708
14 2HG2 ILE 2 HG22 ILE 2 1.987 4.800 1.366
15 3HG2 ILE 2 HG23 ILE 2 1.082 3.314 1.656
16 1HD1 ILE 2 HD11 ILE 2 -1.440 6.702 -0.954
17 2HD1 ILE 2 HD12 ILE 2 -0.801 6.541 0.682
18 3HD1 ILE 2 HD13 ILE 2 -1.590 5.169 -0.095
19 H CYS 3 HN CYS 3 2.674 5.668 -2.380
20 HA CYS 3 HA CYS 3 5.081 6.173 -0.690
21 1HB CYS 3 HB2 CYS 3 6.073 7.178 -2.747
22 2HB CYS 3 HB1 CYS 3 5.751 5.457 -2.909
23 H THR 4 HN THR 4 5.796 8.599 -1.076
24 HA THR 4 HA THR 4 3.486 10.243 -0.297
25 HB THR 4 HB THR 4 6.421 10.969 -0.570
26 HG1 THR 4 HG1 THR 4 6.598 10.389 1.480
27 1HG2 THR 4 HG21 THR 4 4.305 12.388 1.052
28 2HG2 THR 4 HG22 THR 4 4.648 12.835 -0.619
29 3HG2 THR 4 HG23 THR 4 5.910 12.968 0.605
30 H GLY 5 HN GLY 5 6.178 10.980 -2.548
31 1HA GLY 5 HA2 GLY 5 5.399 11.205 -5.002
32 2HA GLY 5 HA1 GLY 5 4.168 12.273 -4.333
33 H ALA 6 HN ALA 6 6.556 12.685 -6.183
34 HA ALA 6 HA ALA 6 8.594 14.213 -4.997
35 1HB ALA 6 HB1 ALA 6 9.205 14.380 -7.148
36 2HB ALA 6 HB2 ALA 6 7.872 15.492 -7.455
37 3HB ALA 6 HB3 ALA 6 7.634 13.755 -7.645
38 H ASP 7 HN ASP 7 8.841 16.618 -5.167
39 HA ASP 7 HA ASP 7 8.212 18.708 -4.329
40 1HB ASP 7 HB2 ASP 7 6.150 17.900 -6.313
41 2HB ASP 7 HB1 ASP 7 5.802 19.315 -5.325
42 H ARG 8 HN ARG 8 7.336 16.258 -2.745
43 HA ARG 8 HA ARG 8 5.262 17.660 -1.116
44 1HB ARG 8 HB2 ARG 8 4.874 15.264 -2.575
45 2HB ARG 8 HB1 ARG 8 5.025 14.776 -0.890
46 1HG ARG 8 HG2 ARG 8 2.929 15.488 -0.485
47 2HG ARG 8 HG1 ARG 8 3.371 17.118 -0.983
48 1HD ARG 8 HD2 ARG 8 2.965 15.204 -3.203
49 2HD ARG 8 HD1 ARG 8 1.517 15.587 -2.272
50 HE ARG 8 HE ARG 8 3.041 17.957 -3.014
51 1HH1 ARG 8 HH21 ARG 8 0.630 15.650 -4.063
52 2HH1 ARG 8 HH22 ARG 8 -0.077 16.751 -5.193
53 1HH2 ARG 8 HH11 ARG 8 2.095 19.349 -4.487
54 2HH2 ARG 8 HH12 ARG 8 0.742 18.823 -5.432
55 HA PRO 9 HA PRO 9 8.017 16.776 2.243
56 1HB PRO 9 HB2 PRO 9 6.270 16.590 4.334
57 2HB PRO 9 HB1 PRO 9 6.694 18.118 3.549
58 1HG PRO 9 HG2 PRO 9 4.212 16.513 3.334
59 2HG PRO 9 HG1 PRO 9 4.442 18.262 3.196
60 1HD PRO 9 HD2 PRO 9 4.095 16.494 1.050
61 2HD PRO 9 HD1 PRO 9 4.728 18.148 0.933
62 H CYS 10 HN CYS 10 9.049 14.890 2.747
63 HA CYS 10 HA CYS 10 8.029 12.295 2.315
64 1HB CYS 10 HB2 CYS 10 10.229 13.208 4.196
65 2HB CYS 10 HB1 CYS 10 9.933 11.526 3.757
66 H ALA 11 HN ALA 11 7.864 10.598 4.172
67 HA ALA 11 HA ALA 11 6.402 11.765 6.503
68 1HB ALA 11 HB1 ALA 11 5.494 9.719 4.523
69 2HB ALA 11 HB2 ALA 11 4.564 10.967 5.353
70 3HB ALA 11 HB3 ALA 11 5.025 9.496 6.208
71 H ALA 12 HN ALA 12 6.317 10.258 8.367
72 HA ALA 12 HA ALA 12 8.802 9.203 9.122
73 1HB ALA 12 HB1 ALA 12 7.316 9.489 10.896
74 2HB ALA 12 HB2 ALA 12 7.309 7.735 10.710
75 3HB ALA 12 HB3 ALA 12 5.990 8.697 10.044
76 H CYS 13 HN CYS 13 5.979 7.138 8.332
77 HA CYS 13 HA CYS 13 7.346 4.701 8.098
78 1HB CYS 13 HB2 CYS 13 5.478 4.011 6.557
79 2HB CYS 13 HB1 CYS 13 4.932 4.740 8.065
80 H CYS 14 HN CYS 14 7.141 7.281 5.601
81 HA CYS 14 HA CYS 14 7.261 5.001 3.697
82 1HB CYS 14 HB2 CYS 14 5.614 7.535 3.690
83 2HB CYS 14 HB1 CYS 14 5.632 6.376 2.364
84 HA PRO 15 HA PRO 15 10.401 7.375 1.553
85 1HB PRO 15 HB2 PRO 15 10.730 5.684 -0.560
86 2HB PRO 15 HB1 PRO 15 11.365 5.342 1.056
87 1HG PRO 15 HG2 PRO 15 9.116 4.095 -0.369
88 2HG PRO 15 HG1 PRO 15 10.087 3.472 0.971
89 1HD PRO 15 HD2 PRO 15 7.462 4.613 1.108
90 2HD PRO 15 HD1 PRO 15 8.479 4.068 2.459
91 H CYS 16 HN CYS 16 10.707 8.278 -0.744
92 HA CYS 16 HA CYS 16 8.214 9.469 -1.638
93 1HB CYS 16 HB2 CYS 16 10.917 9.518 -3.005
94 2HB CYS 16 HB1 CYS 16 9.574 10.621 -3.295
95 H CYS 17 HN CYS 17 7.382 9.264 -3.852
96 HA CYS 17 HA CYS 17 6.887 6.603 -4.690
97 1HB CYS 17 HB2 CYS 17 6.751 9.229 -6.194
98 2HB CYS 17 HB1 CYS 17 6.041 7.737 -6.770
99 HA PRO 18 HA PRO 18 10.390 5.463 -7.172
100 1HB PRO 18 HB2 PRO 18 9.265 4.443 -9.458
101 2HB PRO 18 HB1 PRO 18 9.292 3.584 -7.910
102 1HG PRO 18 HG2 PRO 18 7.057 5.076 -9.207
103 2HG PRO 18 HG1 PRO 18 7.015 3.582 -8.256
104 1HD PRO 18 HD2 PRO 18 6.297 6.016 -7.239
105 2HD PRO 18 HD1 PRO 18 6.950 4.711 -6.240
106 H GLY 19 HN GLY 19 11.744 6.811 -8.239
107 1HA GLY 19 HA2 GLY 19 12.325 8.051 -10.307
108 2HA GLY 19 HA1 GLY 19 10.641 8.586 -10.383
109 H THR 20 HN THR 20 10.354 9.081 -7.596
110 HA THR 20 HA THR 20 11.866 11.630 -7.350
111 HB THR 20 HB THR 20 10.133 12.293 -5.768
112 HG1 THR 20 HG1 THR 20 8.493 10.765 -5.229
113 1HG2 THR 20 HG21 THR 20 9.083 10.880 -8.228
114 2HG2 THR 20 HG22 THR 20 9.411 12.599 -8.025
115 3HG2 THR 20 HG23 THR 20 8.051 11.856 -7.185
116 H SER 21 HN SER 21 12.810 12.115 -5.184
117 HA SER 21 HA SER 21 13.324 9.687 -3.524
118 1HB SER 21 HB2 SER 21 15.599 11.551 -3.890
119 2HB SER 21 HB1 SER 21 15.592 9.803 -3.716
120 HG SER 21 HG SER 21 15.984 9.965 -5.803
121 H CYS 22 HN CYS 22 13.936 10.150 -1.310
122 HA CYS 22 HA CYS 22 12.805 12.691 -0.335
123 1HB CYS 22 HB2 CYS 22 12.343 10.443 0.756
124 2HB CYS 22 HB1 CYS 22 14.008 10.465 1.325
125 H LYS 23 HN LYS 23 14.008 14.351 0.346
126 HA LYS 23 HA LYS 23 16.880 13.954 0.976
127 1HB LYS 23 HB2 LYS 23 17.357 16.079 -0.398
128 2HB LYS 23 HB1 LYS 23 17.073 14.594 -1.303
129 1HG LYS 23 HG2 LYS 23 14.740 16.372 -0.668
130 2HG LYS 23 HG1 LYS 23 15.825 16.826 -1.982
131 1HD LYS 23 HD2 LYS 23 14.994 13.983 -1.974
132 2HD LYS 23 HD1 LYS 23 13.699 15.138 -2.284
133 1HE LYS 23 HE2 LYS 23 14.590 14.660 -4.427
134 2HE LYS 23 HE1 LYS 23 15.307 16.211 -3.989
135 1HZ LYS 23 HZ1 LYS 23 16.594 13.559 -3.624
136 2HZ LYS 23 HZ2 LYS 23 17.284 15.062 -3.236
137 3HZ LYS 23 HZ3 LYS 23 16.959 14.665 -4.856
138 H ALA 24 HN ALA 24 17.299 14.951 2.875
139 HA ALA 24 HA ALA 24 15.365 16.722 4.113
140 1HB ALA 24 HB1 ALA 24 18.232 16.257 4.972
141 2HB ALA 24 HB2 ALA 24 16.921 15.135 5.339
142 3HB ALA 24 HB3 ALA 24 16.882 16.778 5.980
143 H GLU 25 HN GLU 25 16.010 18.931 4.923
144 HA GLU 25 HA GLU 25 17.814 20.312 3.027
145 1HB GLU 25 HB2 GLU 25 14.969 20.737 3.545
146 2HB GLU 25 HB1 GLU 25 15.911 22.207 3.783
147 1HG GLU 25 HG2 GLU 25 16.955 21.842 1.536
148 2HG GLU 25 HG1 GLU 25 15.874 20.469 1.299
149 H SER 26 HN SER 26 18.126 22.681 4.004
150 HA SER 26 HA SER 26 19.528 22.324 6.505
151 1HB SER 26 HB2 SER 26 19.589 24.180 4.428
152 2HB SER 26 HB1 SER 26 18.972 25.108 5.791
153 HG SER 26 HG SER 26 20.998 25.166 6.358
154 H ASN 27 HN ASN 27 16.399 23.685 5.594
155 HA ASN 27 HA ASN 27 15.746 25.002 8.005
156 1HB ASN 27 HB2 ASN 27 13.376 24.622 7.336
157 2HB ASN 27 HB1 ASN 27 14.365 25.238 6.015
158 1HD2 ASN 27 HD21 ASN 27 12.049 23.886 5.301
159 2HD2 ASN 27 HD22 ASN 27 12.428 22.357 4.669
160 H GLY 28 HN GLY 28 16.022 21.626 7.374
161 1HA GLY 28 HA2 GLY 28 16.233 20.107 9.295
162 2HA GLY 28 HA1 GLY 28 15.016 21.075 10.124
163 H VAL 29 HN VAL 29 13.538 21.125 7.370
164 HA VAL 29 HA VAL 29 12.118 18.556 7.843
165 HB VAL 29 HB VAL 29 11.261 20.928 6.165
166 1HG1 VAL 29 HG11 VAL 29 9.029 19.886 6.361
167 2HG1 VAL 29 HG12 VAL 29 9.734 18.555 7.279
168 3HG1 VAL 29 HG13 VAL 29 10.174 18.790 5.587
169 1HG2 VAL 29 HG21 VAL 29 11.229 21.853 8.294
170 2HG2 VAL 29 HG22 VAL 29 10.992 20.292 9.080
171 3HG2 VAL 29 HG23 VAL 29 9.642 21.084 8.267
172 H SER 30 HN SER 30 11.713 17.111 6.141
173 HA SER 30 HA SER 30 13.516 17.482 3.800
174 1HB SER 30 HB2 SER 30 12.419 14.874 4.857
175 2HB SER 30 HB1 SER 30 13.709 15.088 3.679
176 HG SER 30 HG SER 30 13.880 14.984 6.328
177 H TYR 31 HN TYR 31 12.691 17.094 1.719
178 HA TYR 31 HA TYR 31 9.813 16.397 1.473
179 1HB TYR 31 HB2 TYR 31 11.217 18.681 0.063
180 2HB TYR 31 HB1 TYR 31 9.570 18.160 -0.245
181 HD1 TYR 31 HD1 TYR 31 11.832 19.579 2.339
182 HD2 TYR 31 HD2 TYR 31 7.768 18.827 1.174
183 HE1 TYR 31 HE1 TYR 31 11.034 21.015 4.195
184 HE2 TYR 31 HE2 TYR 31 6.969 20.262 3.033
185 HH TYR 31 HH TYR 31 7.747 21.101 5.170
186 H CYS 32 HN CYS 32 9.306 15.591 -0.699
187 HA CYS 32 HA CYS 32 11.568 14.114 -1.864
188 1HB CYS 32 HB2 CYS 32 8.664 14.151 -2.688
189 2HB CYS 32 HB1 CYS 32 9.884 13.041 -3.287
190 H ARG 33 HN ARG 33 12.012 14.251 -4.165
191 HA ARG 33 HA ARG 33 11.000 16.569 -5.641
192 1HB ARG 33 HB2 ARG 33 13.414 16.759 -4.174
193 2HB ARG 33 HB1 ARG 33 13.902 16.535 -5.855
194 1HG ARG 33 HG2 ARG 33 13.643 18.873 -5.633
195 2HG ARG 33 HG1 ARG 33 12.143 18.346 -6.398
196 1HD ARG 33 HD2 ARG 33 10.912 19.046 -4.638
197 2HD ARG 33 HD1 ARG 33 11.949 18.191 -3.501
198 HE ARG 33 HE ARG 33 12.970 20.245 -3.025
199 1HH1 ARG 33 HH21 ARG 33 11.525 20.370 -6.207
200 2HH1 ARG 33 HH22 ARG 33 11.940 22.032 -6.440
201 1HH2 ARG 33 HH11 ARG 33 13.486 22.395 -3.368
202 2HH2 ARG 33 HH12 ARG 33 13.038 23.168 -4.852
203 H LYS 34 HN LYS 34 10.692 15.821 -7.680
204 HA LYS 34 HA LYS 34 11.256 13.180 -8.467
205 1HB LYS 34 HB2 LYS 34 10.801 13.965 -10.800
206 2HB LYS 34 HB1 LYS 34 9.592 14.514 -9.640
207 1HG LYS 34 HG2 LYS 34 11.709 16.453 -9.704
208 2HG LYS 34 HG1 LYS 34 11.234 16.103 -11.365
209 1HD LYS 34 HD2 LYS 34 8.885 16.555 -10.814
210 2HD LYS 34 HD1 LYS 34 9.324 16.855 -9.132
211 1HE LYS 34 HE2 LYS 34 10.593 18.410 -11.386
212 2HE LYS 34 HE1 LYS 34 9.062 18.914 -10.669
213 1HZ LYS 34 HZ1 LYS 34 11.710 18.687 -9.378
214 2HZ LYS 34 HZ2 LYS 34 10.278 18.714 -8.463
215 3HZ LYS 34 HZ3 LYS 34 10.682 20.035 -9.453
216 H ASP 35 HN ASP 35 13.390 12.569 -8.130
217 HA ASP 35 HA ASP 35 15.241 13.180 -10.264
218 1HB ASP 35 HB2 ASP 35 15.564 14.452 -7.581
219 2HB ASP 35 HB1 ASP 35 17.016 13.845 -8.378
220 H GLU 36 HN GLU 36 17.399 11.986 -9.803
221 HA GLU 36 HA GLU 36 16.702 9.333 -8.714
222 1HB GLU 36 HB2 GLU 36 19.110 10.381 -10.225
223 2HB GLU 36 HB1 GLU 36 18.984 8.724 -9.633
224 1HG GLU 36 HG2 GLU 36 18.190 8.579 -11.851
225 2HG GLU 36 HG1 GLU 36 16.716 8.668 -10.887
226 HA PRO 37 HA PRO 37 19.069 9.898 -4.982
227 1HB PRO 37 HB2 PRO 37 19.635 7.292 -4.404
228 2HB PRO 37 HB1 PRO 37 18.015 7.988 -4.255
229 1HG PRO 37 HG2 PRO 37 19.042 6.068 -6.225
230 2HG PRO 37 HG1 PRO 37 17.373 6.417 -5.757
231 1HD PRO 37 HD2 PRO 37 18.772 7.331 -8.099
232 2HD PRO 37 HD1 PRO 37 17.102 7.698 -7.614
Start of MODEL 11
1 1H ALA 1 HT1 ALA 1 0.416 -0.879 -1.157
2 2H ALA 1 HT2 ALA 1 1.436 -0.205 -2.337
3 3H ALA 1 HT3 ALA 1 -0.060 0.522 -1.987
4 HA ALA 1 HA ALA 1 1.974 0.217 0.124
5 1HB ALA 1 HB1 ALA 1 1.871 2.234 -2.112
6 2HB ALA 1 HB2 ALA 1 3.269 1.380 -1.457
7 3HB ALA 1 HB3 ALA 1 2.519 2.682 -0.533
8 H ILE 2 HN ILE 2 1.384 1.445 1.938
9 HA ILE 2 HA ILE 2 -1.402 2.007 2.292
10 HB ILE 2 HB ILE 2 0.104 1.436 4.163
11 1HG1 ILE 2 HG12 ILE 2 -0.620 3.279 5.730
12 2HG1 ILE 2 HG11 ILE 2 -1.213 4.162 4.323
13 1HG2 ILE 2 HG21 ILE 2 1.230 4.192 4.239
14 2HG2 ILE 2 HG22 ILE 2 1.911 3.085 3.047
15 3HG2 ILE 2 HG23 ILE 2 1.949 2.668 4.760
16 1HD1 ILE 2 HD11 ILE 2 -2.753 2.359 3.779
17 2HD1 ILE 2 HD12 ILE 2 -2.997 2.823 5.463
18 3HD1 ILE 2 HD13 ILE 2 -2.093 1.359 5.073
19 H CYS 3 HN CYS 3 -2.464 4.050 2.475
20 HA CYS 3 HA CYS 3 -1.000 6.323 1.212
21 1HB CYS 3 HB2 CYS 3 -3.238 7.013 0.320
22 2HB CYS 3 HB1 CYS 3 -2.648 5.499 -0.352
23 H THR 4 HN THR 4 -2.421 8.434 1.681
24 HA THR 4 HA THR 4 -2.451 8.696 4.597
25 HB THR 4 HB THR 4 -3.082 10.704 2.405
26 HG1 THR 4 HG1 THR 4 -0.764 10.236 3.965
27 1HG2 THR 4 HG21 THR 4 -2.312 12.193 4.511
28 2HG2 THR 4 HG22 THR 4 -3.050 10.847 5.379
29 3HG2 THR 4 HG23 THR 4 -4.000 11.774 4.219
30 H GLY 5 HN GLY 5 -4.886 9.943 2.295
31 1HA GLY 5 HA2 GLY 5 -7.133 8.588 2.537
32 2HA GLY 5 HA1 GLY 5 -6.996 9.122 4.211
33 H ALA 6 HN ALA 6 -8.871 9.796 1.874
34 HA ALA 6 HA ALA 6 -8.558 12.452 1.007
35 1HB ALA 6 HB1 ALA 6 -10.698 12.286 0.256
36 2HB ALA 6 HB2 ALA 6 -11.310 11.711 1.806
37 3HB ALA 6 HB3 ALA 6 -10.512 10.591 0.703
38 H ASP 7 HN ASP 7 -9.783 14.373 1.778
39 HA ASP 7 HA ASP 7 -10.035 16.025 3.413
40 1HB ASP 7 HB2 ASP 7 -11.487 13.615 4.373
41 2HB ASP 7 HB1 ASP 7 -11.284 14.940 5.515
42 H ARG 8 HN ARG 8 -7.524 14.324 3.554
43 HA ARG 8 HA ARG 8 -6.826 15.000 6.382
44 1HB ARG 8 HB2 ARG 8 -6.919 12.399 5.240
45 2HB ARG 8 HB1 ARG 8 -5.214 12.806 5.413
46 1HG ARG 8 HG2 ARG 8 -6.246 13.687 7.803
47 2HG ARG 8 HG1 ARG 8 -7.252 12.275 7.479
48 1HD ARG 8 HD2 ARG 8 -5.419 10.811 7.469
49 2HD ARG 8 HD1 ARG 8 -4.264 12.107 7.162
50 HE ARG 8 HE ARG 8 -4.167 12.501 9.482
51 1HH1 ARG 8 HH21 ARG 8 -6.989 10.588 8.702
52 2HH1 ARG 8 HH22 ARG 8 -7.383 10.310 10.363
53 1HH2 ARG 8 HH11 ARG 8 -4.713 12.117 11.616
54 2HH2 ARG 8 HH12 ARG 8 -6.110 11.166 11.996
55 HA PRO 9 HA PRO 9 -3.377 17.104 4.569
56 1HB PRO 9 HB2 PRO 9 -1.475 16.821 6.507
57 2HB PRO 9 HB1 PRO 9 -2.874 17.894 6.661
58 1HG PRO 9 HG2 PRO 9 -2.367 15.259 7.927
59 2HG PRO 9 HG1 PRO 9 -3.290 16.644 8.529
60 1HD PRO 9 HD2 PRO 9 -4.394 14.325 7.420
61 2HD PRO 9 HD1 PRO 9 -5.240 15.872 7.623
62 H CYS 10 HN CYS 10 -2.029 16.447 2.946
63 HA CYS 10 HA CYS 10 -1.239 13.800 2.425
64 1HB CYS 10 HB2 CYS 10 0.190 16.353 1.610
65 2HB CYS 10 HB1 CYS 10 0.412 14.773 0.859
66 H ALA 11 HN ALA 11 1.136 13.038 2.338
67 HA ALA 11 HA ALA 11 2.604 13.940 4.783
68 1HB ALA 11 HB1 ALA 11 1.771 11.892 5.522
69 2HB ALA 11 HB2 ALA 11 3.318 11.406 4.828
70 3HB ALA 11 HB3 ALA 11 1.828 11.173 3.913
71 H ALA 12 HN ALA 12 4.928 13.561 4.689
72 HA ALA 12 HA ALA 12 6.199 14.354 2.316
73 1HB ALA 12 HB1 ALA 12 8.292 13.514 3.354
74 2HB ALA 12 HB2 ALA 12 7.331 12.665 4.566
75 3HB ALA 12 HB3 ALA 12 7.310 14.428 4.499
76 H CYS 13 HN CYS 13 6.462 11.032 3.639
77 HA CYS 13 HA CYS 13 7.535 9.793 1.367
78 1HB CYS 13 HB2 CYS 13 6.512 7.682 2.246
79 2HB CYS 13 HB1 CYS 13 7.368 8.606 3.478
80 H CYS 14 HN CYS 14 4.122 10.654 1.922
81 HA CYS 14 HA CYS 14 3.478 8.322 0.189
82 1HB CYS 14 HB2 CYS 14 2.227 9.279 2.769
83 2HB CYS 14 HB1 CYS 14 1.633 7.917 1.823
84 HA PRO 15 HA PRO 15 0.681 11.178 -1.851
85 1HB PRO 15 HB2 PRO 15 -0.333 9.414 -3.667
86 2HB PRO 15 HB1 PRO 15 1.281 10.126 -3.807
87 1HG PRO 15 HG2 PRO 15 0.507 7.374 -3.118
88 2HG PRO 15 HG1 PRO 15 2.037 7.989 -3.759
89 1HD PRO 15 HD2 PRO 15 1.448 7.276 -1.047
90 2HD PRO 15 HD1 PRO 15 2.952 7.978 -1.682
91 H CYS 16 HN CYS 16 -1.737 11.200 -2.427
92 HA CYS 16 HA CYS 16 -3.280 10.335 -0.142
93 1HB CYS 16 HB2 CYS 16 -4.314 11.310 -2.817
94 2HB CYS 16 HB1 CYS 16 -5.192 11.301 -1.290
95 H CYS 17 HN CYS 17 -5.162 8.884 -0.272
96 HA CYS 17 HA CYS 17 -4.591 6.307 -1.302
97 1HB CYS 17 HB2 CYS 17 -7.213 7.610 -0.533
98 2HB CYS 17 HB1 CYS 17 -7.009 5.888 -0.779
99 HA PRO 18 HA PRO 18 -5.898 6.403 -5.546
100 1HB PRO 18 HB2 PRO 18 -7.355 4.095 -5.810
101 2HB PRO 18 HB1 PRO 18 -5.588 4.131 -5.698
102 1HG PRO 18 HG2 PRO 18 -7.603 3.435 -3.614
103 2HG PRO 18 HG1 PRO 18 -6.000 2.741 -3.911
104 1HD PRO 18 HD2 PRO 18 -6.518 4.545 -1.910
105 2HD PRO 18 HD1 PRO 18 -4.927 4.355 -2.661
106 H GLY 19 HN GLY 19 -7.339 7.972 -6.041
107 1HA GLY 19 HA2 GLY 19 -9.772 8.199 -6.803
108 2HA GLY 19 HA1 GLY 19 -10.185 7.674 -5.165
109 H THR 20 HN THR 20 -8.114 9.018 -3.821
110 HA THR 20 HA THR 20 -9.079 11.829 -3.957
111 HB THR 20 HB THR 20 -8.133 12.052 -1.710
112 HG1 THR 20 HG1 THR 20 -6.985 10.392 -0.791
113 1HG2 THR 20 HG21 THR 20 -9.322 9.863 -0.709
114 2HG2 THR 20 HG22 THR 20 -9.950 9.781 -2.354
115 3HG2 THR 20 HG23 THR 20 -10.244 11.213 -1.370
116 H SER 21 HN SER 21 -7.477 13.542 -3.982
117 HA SER 21 HA SER 21 -4.753 12.655 -4.855
118 1HB SER 21 HB2 SER 21 -5.107 15.009 -6.233
119 2HB SER 21 HB1 SER 21 -5.322 13.402 -6.915
120 HG SER 21 HG SER 21 -7.345 13.890 -7.128
121 H CYS 22 HN CYS 22 -3.064 14.312 -4.549
122 HA CYS 22 HA CYS 22 -3.560 15.850 -2.076
123 1HB CYS 22 HB2 CYS 22 -1.496 14.425 -2.403
124 2HB CYS 22 HB1 CYS 22 -0.957 15.597 -3.601
125 H LYS 23 HN LYS 23 -3.827 17.985 -2.068
126 HA LYS 23 HA LYS 23 -3.009 19.607 -4.416
127 1HB LYS 23 HB2 LYS 23 -5.231 20.756 -4.384
128 2HB LYS 23 HB1 LYS 23 -5.344 19.057 -4.844
129 1HG LYS 23 HG2 LYS 23 -5.632 18.810 -2.166
130 2HG LYS 23 HG1 LYS 23 -6.310 20.422 -2.385
131 1HD LYS 23 HD2 LYS 23 -8.204 19.152 -2.765
132 2HD LYS 23 HD1 LYS 23 -7.568 19.237 -4.408
133 1HE LYS 23 HE2 LYS 23 -6.754 17.005 -2.548
134 2HE LYS 23 HE1 LYS 23 -8.242 16.903 -3.489
135 1HZ LYS 23 HZ1 LYS 23 -6.747 15.975 -4.923
136 2HZ LYS 23 HZ2 LYS 23 -5.458 16.956 -4.414
137 3HZ LYS 23 HZ3 LYS 23 -6.666 17.593 -5.424
138 H ALA 24 HN ALA 24 -1.919 21.368 -3.695
139 HA ALA 24 HA ALA 24 -1.691 22.017 -0.908
140 1HB ALA 24 HB1 ALA 24 -0.294 23.806 -1.600
141 2HB ALA 24 HB2 ALA 24 -1.105 23.944 -3.160
142 3HB ALA 24 HB3 ALA 24 -0.055 22.565 -2.831
143 H GLU 25 HN GLU 25 -2.294 24.226 -0.016
144 HA GLU 25 HA GLU 25 -4.834 25.213 -1.167
145 1HB GLU 25 HB2 GLU 25 -4.771 23.697 1.088
146 2HB GLU 25 HB1 GLU 25 -4.588 25.305 1.781
147 1HG GLU 25 HG2 GLU 25 -6.856 25.389 1.650
148 2HG GLU 25 HG1 GLU 25 -6.582 25.730 -0.058
149 H SER 26 HN SER 26 -5.408 27.322 0.188
150 HA SER 26 HA SER 26 -3.305 29.227 -0.387
151 1HB SER 26 HB2 SER 26 -6.062 29.355 -0.047
152 2HB SER 26 HB1 SER 26 -5.442 30.208 1.362
153 HG SER 26 HG SER 26 -5.315 31.774 -0.067
154 H ASN 27 HN ASN 27 -4.543 27.684 2.537
155 HA ASN 27 HA ASN 27 -3.247 29.291 4.472
156 1HB ASN 27 HB2 ASN 27 -3.340 27.216 5.911
157 2HB ASN 27 HB1 ASN 27 -4.880 27.677 5.189
158 1HD2 ASN 27 HD21 ASN 27 -5.749 25.516 5.094
159 2HD2 ASN 27 HD22 ASN 27 -5.101 24.322 4.076
160 H GLY 28 HN GLY 28 -1.891 27.071 2.220
161 1HA GLY 28 HA2 GLY 28 0.527 27.181 1.803
162 2HA GLY 28 HA1 GLY 28 0.760 27.427 3.532
163 H VAL 29 HN VAL 29 -1.404 25.230 3.926
164 HA VAL 29 HA VAL 29 0.524 22.975 3.738
165 HB VAL 29 HB VAL 29 -2.093 23.119 5.260
166 1HG1 VAL 29 HG11 VAL 29 -1.062 21.214 6.513
167 2HG1 VAL 29 HG12 VAL 29 0.274 21.226 5.362
168 3HG1 VAL 29 HG13 VAL 29 -1.357 20.839 4.816
169 1HG2 VAL 29 HG21 VAL 29 -0.564 24.812 6.121
170 2HG2 VAL 29 HG22 VAL 29 0.759 23.647 6.153
171 3HG2 VAL 29 HG23 VAL 29 -0.608 23.458 7.251
172 H SER 30 HN SER 30 -0.084 20.995 2.793
173 HA SER 30 HA SER 30 -2.300 21.261 0.834
174 1HB SER 30 HB2 SER 30 -0.011 19.284 0.871
175 2HB SER 30 HB1 SER 30 -1.173 19.503 -0.432
176 HG SER 30 HG SER 30 1.054 20.954 0.220
177 H TYR 31 HN TYR 31 -3.947 19.724 0.759
178 HA TYR 31 HA TYR 31 -3.854 17.478 2.698
179 1HB TYR 31 HB2 TYR 31 -6.221 19.316 2.264
180 2HB TYR 31 HB1 TYR 31 -6.159 17.944 3.358
181 HD1 TYR 31 HD1 TYR 31 -4.836 21.337 2.703
182 HD2 TYR 31 HD2 TYR 31 -5.053 18.081 5.496
183 HE1 TYR 31 HE1 TYR 31 -3.889 22.792 4.473
184 HE2 TYR 31 HE2 TYR 31 -4.105 19.536 7.266
185 HH TYR 31 HH TYR 31 -2.780 21.548 7.476
186 H CYS 32 HN CYS 32 -5.344 15.739 2.101
187 HA CYS 32 HA CYS 32 -5.622 15.499 -0.816
188 1HB CYS 32 HB2 CYS 32 -6.365 13.551 1.366
189 2HB CYS 32 HB1 CYS 32 -6.327 13.196 -0.354
190 H ARG 33 HN ARG 33 -7.652 15.122 -1.835
191 HA ARG 33 HA ARG 33 -10.118 15.457 -0.291
192 1HB ARG 33 HB2 ARG 33 -8.888 17.683 -1.582
193 2HB ARG 33 HB1 ARG 33 -10.268 17.225 -2.581
194 1HG ARG 33 HG2 ARG 33 -11.082 18.776 -0.942
195 2HG ARG 33 HG1 ARG 33 -11.649 17.177 -0.457
196 1HD ARG 33 HD2 ARG 33 -10.326 17.128 1.406
197 2HD ARG 33 HD1 ARG 33 -9.000 17.958 0.600
198 HE ARG 33 HE ARG 33 -11.093 19.218 2.168
199 1HH1 ARG 33 HH21 ARG 33 -8.891 19.658 -0.514
200 2HH1 ARG 33 HH22 ARG 33 -8.880 21.379 -0.352
201 1HH2 ARG 33 HH11 ARG 33 -11.048 21.447 2.341
202 2HH2 ARG 33 HH12 ARG 33 -10.087 22.384 1.246
203 H LYS 34 HN LYS 34 -11.722 14.258 -1.309
204 HA LYS 34 HA LYS 34 -11.047 12.400 -3.324
205 1HB LYS 34 HB2 LYS 34 -13.718 13.470 -2.391
206 2HB LYS 34 HB1 LYS 34 -13.604 12.237 -3.647
207 1HG LYS 34 HG2 LYS 34 -12.109 11.865 -1.070
208 2HG LYS 34 HG1 LYS 34 -13.833 11.503 -1.135
209 1HD LYS 34 HD2 LYS 34 -12.194 10.421 -3.363
210 2HD LYS 34 HD1 LYS 34 -11.920 9.696 -1.779
211 1HE LYS 34 HE2 LYS 34 -13.690 8.386 -2.440
212 2HE LYS 34 HE1 LYS 34 -14.606 9.727 -1.752
213 1HZ LYS 34 HZ1 LYS 34 -15.281 9.019 -4.042
214 2HZ LYS 34 HZ2 LYS 34 -13.793 9.620 -4.600
215 3HZ LYS 34 HZ3 LYS 34 -14.918 10.668 -3.877
216 H ASP 35 HN ASP 35 -11.543 12.292 -5.553
217 HA ASP 35 HA ASP 35 -11.065 14.644 -7.063
218 1HB ASP 35 HB2 ASP 35 -12.016 11.879 -7.710
219 2HB ASP 35 HB1 ASP 35 -12.136 13.124 -8.954
220 H GLU 36 HN GLU 36 -12.591 15.600 -8.697
221 HA GLU 36 HA GLU 36 -15.045 16.442 -7.413
222 1HB GLU 36 HB2 GLU 36 -13.731 16.940 -10.065
223 2HB GLU 36 HB1 GLU 36 -15.423 17.388 -9.852
224 1HG GLU 36 HG2 GLU 36 -14.844 18.759 -7.904
225 2HG GLU 36 HG1 GLU 36 -13.154 18.273 -8.045
226 HA PRO 37 HA PRO 37 -17.817 13.438 -9.187
227 1HB PRO 37 HB2 PRO 37 -20.140 14.870 -9.147
228 2HB PRO 37 HB1 PRO 37 -19.354 14.257 -7.684
229 1HG PRO 37 HG2 PRO 37 -19.587 17.018 -8.655
230 2HG PRO 37 HG1 PRO 37 -19.236 16.423 -7.027
231 1HD PRO 37 HD2 PRO 37 -17.374 17.453 -8.967
232 2HD PRO 37 HD1 PRO 37 -17.025 16.846 -7.334
Start of MODEL 12
1 1H ALA 1 HT1 ALA 1 -3.634 -1.556 0.599
2 2H ALA 1 HT2 ALA 1 -2.879 -2.790 1.490
3 3H ALA 1 HT3 ALA 1 -2.536 -2.600 -0.163
4 HA ALA 1 HA ALA 1 -0.744 -1.746 1.252
5 1HB ALA 1 HB1 ALA 1 -2.213 0.480 -0.182
6 2HB ALA 1 HB2 ALA 1 -1.323 -0.787 -1.028
7 3HB ALA 1 HB3 ALA 1 -0.472 0.319 0.051
8 H ILE 2 HN ILE 2 -0.381 0.764 2.136
9 HA ILE 2 HA ILE 2 -2.187 0.902 4.498
10 HB ILE 2 HB ILE 2 0.231 0.694 4.948
11 1HG1 ILE 2 HG12 ILE 2 -0.512 3.533 5.632
12 2HG1 ILE 2 HG11 ILE 2 -1.400 2.181 6.337
13 1HG2 ILE 2 HG21 ILE 2 0.375 3.242 3.320
14 2HG2 ILE 2 HG22 ILE 2 1.190 1.713 2.995
15 3HG2 ILE 2 HG23 ILE 2 1.680 2.697 4.374
16 1HD1 ILE 2 HD11 ILE 2 1.578 2.039 6.407
17 2HD1 ILE 2 HD12 ILE 2 0.398 1.470 7.588
18 3HD1 ILE 2 HD13 ILE 2 0.798 3.185 7.498
19 H CYS 3 HN CYS 3 -3.109 2.936 5.118
20 HA CYS 3 HA CYS 3 -3.173 4.963 2.928
21 1HB CYS 3 HB2 CYS 3 -5.486 5.464 3.719
22 2HB CYS 3 HB1 CYS 3 -5.316 3.836 3.076
23 H THR 4 HN THR 4 -3.955 7.167 3.871
24 HA THR 4 HA THR 4 -2.122 7.860 6.042
25 HB THR 4 HB THR 4 -4.124 9.573 4.533
26 HG1 THR 4 HG1 THR 4 -2.335 10.136 3.309
27 1HG2 THR 4 HG21 THR 4 -1.723 10.823 5.668
28 2HG2 THR 4 HG22 THR 4 -2.809 10.169 6.894
29 3HG2 THR 4 HG23 THR 4 -3.402 11.356 5.733
30 H GLY 5 HN GLY 5 -5.559 8.813 5.670
31 1HA GLY 5 HA2 GLY 5 -7.072 7.742 7.490
32 2HA GLY 5 HA1 GLY 5 -5.867 8.384 8.602
33 H ALA 6 HN ALA 6 -8.780 9.021 8.179
34 HA ALA 6 HA ALA 6 -9.220 11.529 6.995
35 1HB ALA 6 HB1 ALA 6 -10.646 11.362 9.513
36 2HB ALA 6 HB2 ALA 6 -10.666 9.806 8.687
37 3HB ALA 6 HB3 ALA 6 -11.271 11.245 7.868
38 H ASP 7 HN ASP 7 -9.575 13.615 8.156
39 HA ASP 7 HA ASP 7 -8.601 15.455 9.221
40 1HB ASP 7 HB2 ASP 7 -8.860 13.293 11.245
41 2HB ASP 7 HB1 ASP 7 -7.929 14.715 11.703
42 H ARG 8 HN ARG 8 -6.705 13.578 7.755
43 HA ARG 8 HA ARG 8 -4.213 14.516 9.117
44 1HB ARG 8 HB2 ARG 8 -5.020 11.821 8.759
45 2HB ARG 8 HB1 ARG 8 -3.739 12.103 7.585
46 1HG ARG 8 HG2 ARG 8 -2.275 11.794 9.277
47 2HG ARG 8 HG1 ARG 8 -2.809 13.349 9.912
48 1HD ARG 8 HD2 ARG 8 -4.564 11.044 10.543
49 2HD ARG 8 HD1 ARG 8 -2.977 11.026 11.312
50 HE ARG 8 HE ARG 8 -4.209 13.620 11.580
51 1HH1 ARG 8 HH21 ARG 8 -4.280 10.355 12.831
52 2HH1 ARG 8 HH22 ARG 8 -4.883 10.852 14.373
53 1HH2 ARG 8 HH11 ARG 8 -4.989 14.218 13.590
54 2HH2 ARG 8 HH12 ARG 8 -5.281 13.015 14.801
55 HA PRO 9 HA PRO 9 -3.185 16.140 5.122
56 1HB PRO 9 HB2 PRO 9 -0.457 16.016 5.180
57 2HB PRO 9 HB1 PRO 9 -1.401 17.184 6.116
58 1HG PRO 9 HG2 PRO 9 0.000 14.732 7.021
59 2HG PRO 9 HG1 PRO 9 -0.315 16.240 7.891
60 1HD PRO 9 HD2 PRO 9 -1.740 13.852 8.217
61 2HD PRO 9 HD1 PRO 9 -2.286 15.458 8.742
62 H CYS 10 HN CYS 10 -3.335 15.170 3.144
63 HA CYS 10 HA CYS 10 -2.970 12.428 2.617
64 1HB CYS 10 HB2 CYS 10 -2.796 14.785 0.713
65 2HB CYS 10 HB1 CYS 10 -2.916 13.102 0.202
66 H ALA 11 HN ALA 11 -1.318 11.593 0.904
67 HA ALA 11 HA ALA 11 1.378 12.781 1.391
68 1HB ALA 11 HB1 ALA 11 0.631 10.573 2.726
69 2HB ALA 11 HB2 ALA 11 2.282 10.807 2.153
70 3HB ALA 11 HB3 ALA 11 1.159 9.813 1.225
71 H ALA 12 HN ALA 12 2.961 12.164 -0.268
72 HA ALA 12 HA ALA 12 2.083 12.442 -2.918
73 1HB ALA 12 HB1 ALA 12 4.589 11.421 -1.650
74 2HB ALA 12 HB2 ALA 12 4.357 12.799 -2.726
75 3HB ALA 12 HB3 ALA 12 4.371 11.161 -3.380
76 H CYS 13 HN CYS 13 3.380 9.364 -1.614
77 HA CYS 13 HA CYS 13 2.548 7.682 -3.695
78 1HB CYS 13 HB2 CYS 13 2.571 5.847 -1.986
79 2HB CYS 13 HB1 CYS 13 4.011 6.862 -1.944
80 H CYS 14 HN CYS 14 0.531 8.921 -1.015
81 HA CYS 14 HA CYS 14 -0.989 6.382 -1.321
82 1HB CYS 14 HB2 CYS 14 -0.094 7.875 1.151
83 2HB CYS 14 HB1 CYS 14 -1.092 6.424 1.178
84 HA PRO 15 HA PRO 15 -4.616 9.018 -1.191
85 1HB PRO 15 HB2 PRO 15 -6.480 7.034 -1.348
86 2HB PRO 15 HB1 PRO 15 -5.526 7.574 -2.737
87 1HG PRO 15 HG2 PRO 15 -5.346 5.071 -1.206
88 2HG PRO 15 HG1 PRO 15 -4.798 5.429 -2.848
89 1HD PRO 15 HD2 PRO 15 -3.201 5.287 -0.472
90 2HD PRO 15 HD1 PRO 15 -2.672 5.725 -2.111
91 H CYS 16 HN CYS 16 -6.687 9.128 0.181
92 HA CYS 16 HA CYS 16 -6.005 8.773 2.973
93 1HB CYS 16 HB2 CYS 16 -8.712 9.423 1.779
94 2HB CYS 16 HB1 CYS 16 -8.202 9.707 3.441
95 H CYS 17 HN CYS 17 -7.249 7.455 4.497
96 HA CYS 17 HA CYS 17 -7.495 4.723 3.786
97 1HB CYS 17 HB2 CYS 17 -8.692 6.336 6.049
98 2HB CYS 17 HB1 CYS 17 -8.735 4.590 5.991
99 HA PRO 18 HA PRO 18 -11.538 4.311 1.995
100 1HB PRO 18 HB2 PRO 18 -12.620 2.167 3.323
101 2HB PRO 18 HB1 PRO 18 -11.369 2.020 2.078
102 1HG PRO 18 HG2 PRO 18 -11.110 1.879 5.046
103 2HG PRO 18 HG1 PRO 18 -10.259 0.959 3.794
104 1HD PRO 18 HD2 PRO 18 -9.135 3.071 5.119
105 2HD PRO 18 HD1 PRO 18 -8.672 2.609 3.476
106 H GLY 19 HN GLY 19 -13.295 5.574 2.329
107 1HA GLY 19 HA2 GLY 19 -15.329 6.111 3.637
108 2HA GLY 19 HA1 GLY 19 -14.376 5.860 5.106
109 H THR 20 HN THR 20 -12.027 7.157 4.187
110 HA THR 20 HA THR 20 -12.866 10.004 4.377
111 HB THR 20 HB THR 20 -10.589 10.440 5.126
112 HG1 THR 20 HG1 THR 20 -10.084 7.700 4.581
113 1HG2 THR 20 HG21 THR 20 -11.837 7.965 6.334
114 2HG2 THR 20 HG22 THR 20 -11.940 9.627 6.914
115 3HG2 THR 20 HG23 THR 20 -10.417 8.744 7.032
116 H SER 21 HN SER 21 -11.685 11.551 2.941
117 HA SER 21 HA SER 21 -10.583 10.285 0.473
118 1HB SER 21 HB2 SER 21 -12.009 12.411 -0.557
119 2HB SER 21 HB1 SER 21 -12.527 10.730 -0.590
120 HG SER 21 HG SER 21 -13.820 11.084 1.113
121 H CYS 22 HN CYS 22 -9.320 11.799 -0.864
122 HA CYS 22 HA CYS 22 -7.954 13.800 0.835
123 1HB CYS 22 HB2 CYS 22 -6.683 12.104 -0.556
124 2HB CYS 22 HB1 CYS 22 -7.222 12.981 -1.984
125 H LYS 23 HN LYS 23 -8.211 15.919 0.566
126 HA LYS 23 HA LYS 23 -9.394 16.986 -1.937
127 1HB LYS 23 HB2 LYS 23 -10.955 18.404 -0.589
128 2HB LYS 23 HB1 LYS 23 -11.309 16.682 -0.461
129 1HG LYS 23 HG2 LYS 23 -9.561 16.956 1.600
130 2HG LYS 23 HG1 LYS 23 -10.288 18.562 1.597
131 1HD LYS 23 HD2 LYS 23 -11.767 17.406 2.975
132 2HD LYS 23 HD1 LYS 23 -12.547 17.217 1.404
133 1HE LYS 23 HE2 LYS 23 -10.539 15.185 2.363
134 2HE LYS 23 HE1 LYS 23 -12.220 15.098 2.889
135 1HZ LYS 23 HZ1 LYS 23 -12.304 13.862 0.994
136 2HZ LYS 23 HZ2 LYS 23 -11.088 14.749 0.208
137 3HZ LYS 23 HZ3 LYS 23 -12.657 15.387 0.344
138 H ALA 24 HN ALA 24 -8.168 18.689 -2.591
139 HA ALA 24 HA ALA 24 -6.069 19.779 -0.936
140 1HB ALA 24 HB1 ALA 24 -5.920 19.706 -3.408
141 2HB ALA 24 HB2 ALA 24 -5.713 21.349 -2.801
142 3HB ALA 24 HB3 ALA 24 -7.250 20.860 -3.515
143 H GLU 25 HN GLU 25 -5.921 22.155 -0.403
144 HA GLU 25 HA GLU 25 -8.573 23.329 0.176
145 1HB GLU 25 HB2 GLU 25 -6.425 22.570 2.015
146 2HB GLU 25 HB1 GLU 25 -6.902 24.255 2.197
147 1HG GLU 25 HG2 GLU 25 -9.031 23.723 2.901
148 2HG GLU 25 HG1 GLU 25 -9.083 22.232 1.959
149 H SER 26 HN SER 26 -8.096 25.739 0.941
150 HA SER 26 HA SER 26 -6.927 27.083 -1.339
151 1HB SER 26 HB2 SER 26 -8.713 27.761 0.709
152 2HB SER 26 HB1 SER 26 -7.316 28.792 0.992
153 HG SER 26 HG SER 26 -8.177 29.933 -0.558
154 H ASN 27 HN ASN 27 -5.844 26.298 1.913
155 HA ASN 27 HA ASN 27 -3.618 28.032 2.106
156 1HB ASN 27 HB2 ASN 27 -2.673 26.272 3.644
157 2HB ASN 27 HB1 ASN 27 -4.316 26.772 4.038
158 1HD2 ASN 27 HD21 ASN 27 -4.522 24.588 5.109
159 2HD2 ASN 27 HD22 ASN 27 -4.856 23.229 4.149
160 H GLY 28 HN GLY 28 -4.082 25.305 0.061
161 1HA GLY 28 HA2 GLY 28 -2.580 25.048 -1.869
162 2HA GLY 28 HA1 GLY 28 -1.245 25.532 -0.824
163 H VAL 29 HN VAL 29 -2.427 23.773 1.370
164 HA VAL 29 HA VAL 29 -1.221 21.242 0.382
165 HB VAL 29 HB VAL 29 -1.913 22.035 3.223
166 1HG1 VAL 29 HG11 VAL 29 -0.181 20.225 3.688
167 2HG1 VAL 29 HG12 VAL 29 -0.302 19.792 1.983
168 3HG1 VAL 29 HG13 VAL 29 -1.715 19.654 3.030
169 1HG2 VAL 29 HG21 VAL 29 -0.218 23.537 2.126
170 2HG2 VAL 29 HG22 VAL 29 0.781 22.113 1.830
171 3HG2 VAL 29 HG23 VAL 29 0.431 22.617 3.484
172 H SER 30 HN SER 30 -2.292 19.236 0.733
173 HA SER 30 HA SER 30 -5.247 19.536 0.910
174 1HB SER 30 HB2 SER 30 -3.717 17.198 -0.235
175 2HB SER 30 HB1 SER 30 -5.430 17.553 -0.431
176 HG SER 30 HG SER 30 -3.386 18.370 -1.916
177 H TYR 31 HN TYR 31 -6.424 18.142 2.283
178 HA TYR 31 HA TYR 31 -4.862 16.340 4.062
179 1HB TYR 31 HB2 TYR 31 -6.929 18.384 4.908
180 2HB TYR 31 HB1 TYR 31 -6.282 17.140 5.963
181 HD1 TYR 31 HD1 TYR 31 -5.374 20.110 3.923
182 HD2 TYR 31 HD2 TYR 31 -4.138 17.369 6.991
183 HE1 TYR 31 HE1 TYR 31 -3.425 21.557 4.430
184 HE2 TYR 31 HE2 TYR 31 -2.189 18.817 7.497
185 HH TYR 31 HH TYR 31 -1.825 21.640 7.027
186 H CYS 32 HN CYS 32 -6.284 14.725 5.107
187 HA CYS 32 HA CYS 32 -8.470 13.923 3.292
188 1HB CYS 32 HB2 CYS 32 -7.337 12.484 5.691
189 2HB CYS 32 HB1 CYS 32 -8.487 11.817 4.544
190 H ARG 33 HN ARG 33 -10.583 13.477 4.108
191 HA ARG 33 HA ARG 33 -11.268 14.396 6.815
192 1HB ARG 33 HB2 ARG 33 -11.604 16.066 4.520
193 2HB ARG 33 HB1 ARG 33 -13.210 15.495 4.973
194 1HG ARG 33 HG2 ARG 33 -12.775 17.526 6.202
195 2HG ARG 33 HG1 ARG 33 -12.694 16.182 7.341
196 1HD ARG 33 HD2 ARG 33 -10.474 16.479 7.724
197 2HD ARG 33 HD1 ARG 33 -10.132 16.818 6.029
198 HE ARG 33 HE ARG 33 -11.445 19.085 6.834
199 1HH1 ARG 33 HH21 ARG 33 -8.724 17.307 8.125
200 2HH1 ARG 33 HH22 ARG 33 -8.010 18.717 8.825
201 1HH2 ARG 33 HH11 ARG 33 -10.481 20.882 7.749
202 2HH2 ARG 33 HH12 ARG 33 -8.990 20.719 8.615
203 H LYS 34 HN LYS 34 -12.714 12.913 7.584
204 HA LYS 34 HA LYS 34 -13.506 10.644 6.137
205 1HB LYS 34 HB2 LYS 34 -13.539 10.889 8.631
206 2HB LYS 34 HB1 LYS 34 -14.998 11.867 8.476
207 1HG LYS 34 HG2 LYS 34 -15.800 9.688 8.898
208 2HG LYS 34 HG1 LYS 34 -15.970 9.881 7.154
209 1HD LYS 34 HD2 LYS 34 -13.767 8.746 6.853
210 2HD LYS 34 HD1 LYS 34 -13.706 8.469 8.594
211 1HE LYS 34 HE2 LYS 34 -15.804 7.420 6.674
212 2HE LYS 34 HE1 LYS 34 -14.576 6.469 7.510
213 1HZ LYS 34 HZ1 LYS 34 -16.885 7.901 8.687
214 2HZ LYS 34 HZ2 LYS 34 -15.583 7.343 9.626
215 3HZ LYS 34 HZ3 LYS 34 -16.539 6.241 8.755
216 H ASP 35 HN ASP 35 -14.438 11.132 4.140
217 HA ASP 35 HA ASP 35 -17.285 11.642 4.162
218 1HB ASP 35 HB2 ASP 35 -15.366 13.790 3.368
219 2HB ASP 35 HB1 ASP 35 -16.827 13.597 2.399
220 H GLU 36 HN GLU 36 -18.151 11.555 1.858
221 HA GLU 36 HA GLU 36 -16.277 10.118 0.028
222 1HB GLU 36 HB2 GLU 36 -18.960 9.235 1.055
223 2HB GLU 36 HB1 GLU 36 -18.435 8.738 -0.554
224 1HG GLU 36 HG2 GLU 36 -16.375 7.786 0.394
225 2HG GLU 36 HG1 GLU 36 -16.868 8.305 2.006
226 HA PRO 37 HA PRO 37 -18.508 13.336 -2.389
227 1HB PRO 37 HB2 PRO 37 -16.291 14.295 -3.657
228 2HB PRO 37 HB1 PRO 37 -16.795 14.832 -2.048
229 1HG PRO 37 HG2 PRO 37 -14.511 13.155 -2.822
230 2HG PRO 37 HG1 PRO 37 -14.773 14.090 -1.344
231 1HD PRO 37 HD2 PRO 37 -15.098 11.257 -1.710
232 2HD PRO 37 HD1 PRO 37 -15.394 12.205 -0.237
Start of MODEL 13
1 1H ALA 1 HT1 ALA 1 0.057 -0.407 -0.608
2 2H ALA 1 HT2 ALA 1 0.190 -1.370 0.785
3 3H ALA 1 HT3 ALA 1 1.473 -1.297 -0.327
4 HA ALA 1 HA ALA 1 0.489 1.045 1.204
5 1HB ALA 1 HB1 ALA 1 1.567 -0.971 2.495
6 2HB ALA 1 HB2 ALA 1 2.139 0.665 2.819
7 3HB ALA 1 HB3 ALA 1 3.066 -0.400 1.762
8 H ILE 2 HN ILE 2 1.194 2.862 0.214
9 HA ILE 2 HA ILE 2 2.992 2.761 -2.053
10 HB ILE 2 HB ILE 2 1.175 4.435 -1.862
11 1HG1 ILE 2 HG12 ILE 2 3.821 5.894 -1.800
12 2HG1 ILE 2 HG11 ILE 2 3.376 4.838 -3.142
13 1HG2 ILE 2 HG21 ILE 2 1.866 4.689 0.730
14 2HG2 ILE 2 HG22 ILE 2 1.001 5.951 -0.147
15 3HG2 ILE 2 HG23 ILE 2 2.748 6.066 0.069
16 1HD1 ILE 2 HD11 ILE 2 2.504 6.813 -3.946
17 2HD1 ILE 2 HD12 ILE 2 2.219 7.466 -2.333
18 3HD1 ILE 2 HD13 ILE 2 1.115 6.267 -3.006
19 H CYS 3 HN CYS 3 5.066 3.975 -2.152
20 HA CYS 3 HA CYS 3 6.487 3.920 0.471
21 1HB CYS 3 HB2 CYS 3 8.540 3.469 -0.891
22 2HB CYS 3 HB1 CYS 3 7.349 2.178 -0.965
23 H THR 4 HN THR 4 8.563 5.374 0.297
24 HA THR 4 HA THR 4 7.625 8.066 -0.342
25 HB THR 4 HB THR 4 10.346 7.138 0.631
26 HG1 THR 4 HG1 THR 4 9.459 7.014 2.517
27 1HG2 THR 4 HG21 THR 4 9.718 9.581 -0.389
28 2HG2 THR 4 HG22 THR 4 10.913 9.335 0.884
29 3HG2 THR 4 HG23 THR 4 9.268 9.814 1.301
30 H GLY 5 HN GLY 5 10.740 6.520 -1.214
31 1HA GLY 5 HA2 GLY 5 11.029 6.211 -3.764
32 2HA GLY 5 HA1 GLY 5 10.548 7.904 -3.848
33 H ALA 6 HN ALA 6 13.129 6.424 -4.476
34 HA ALA 6 HA ALA 6 15.199 7.024 -2.679
35 1HB ALA 6 HB1 ALA 6 16.569 6.388 -4.363
36 2HB ALA 6 HB2 ALA 6 15.895 7.568 -5.486
37 3HB ALA 6 HB3 ALA 6 15.081 6.025 -5.235
38 H ASP 7 HN ASP 7 16.835 8.761 -2.870
39 HA ASP 7 HA ASP 7 17.376 11.019 -2.634
40 1HB ASP 7 HB2 ASP 7 16.015 10.733 -5.262
41 2HB ASP 7 HB1 ASP 7 16.306 12.369 -4.681
42 H ARG 8 HN ARG 8 14.725 10.069 -1.439
43 HA ARG 8 HA ARG 8 13.529 12.795 -1.129
44 1HB ARG 8 HB2 ARG 8 12.275 10.521 -2.259
45 2HB ARG 8 HB1 ARG 8 11.580 10.701 -0.651
46 1HG ARG 8 HG2 ARG 8 10.230 12.264 -1.577
47 2HG ARG 8 HG1 ARG 8 11.648 13.312 -1.592
48 1HD ARG 8 HD2 ARG 8 12.103 12.880 -3.851
49 2HD ARG 8 HD1 ARG 8 11.184 11.375 -3.848
50 HE ARG 8 HE ARG 8 9.474 13.644 -3.312
51 1HH1 ARG 8 HH21 ARG 8 11.122 11.909 -5.862
52 2HH1 ARG 8 HH22 ARG 8 9.996 12.417 -7.072
53 1HH2 ARG 8 HH11 ARG 8 8.042 14.278 -4.909
54 2HH2 ARG 8 HH12 ARG 8 8.271 13.744 -6.541
55 HA PRO 9 HA PRO 9 14.023 12.049 3.210
56 1HB PRO 9 HB2 PRO 9 11.968 13.519 4.243
57 2HB PRO 9 HB1 PRO 9 13.430 14.236 3.550
58 1HG PRO 9 HG2 PRO 9 10.697 14.061 2.417
59 2HG PRO 9 HG1 PRO 9 11.949 15.286 2.165
60 1HD PRO 9 HD2 PRO 9 11.297 13.228 0.375
61 2HD PRO 9 HD1 PRO 9 12.781 14.201 0.337
62 H CYS 10 HN CYS 10 13.522 10.254 4.395
63 HA CYS 10 HA CYS 10 11.366 8.505 3.895
64 1HB CYS 10 HB2 CYS 10 12.954 8.904 6.452
65 2HB CYS 10 HB1 CYS 10 11.901 7.527 6.134
66 H ALA 11 HN ALA 11 9.659 7.941 5.665
67 HA ALA 11 HA ALA 11 8.595 10.406 6.959
68 1HB ALA 11 HB1 ALA 11 7.167 10.486 5.154
69 2HB ALA 11 HB2 ALA 11 6.277 9.329 6.144
70 3HB ALA 11 HB3 ALA 11 7.308 8.758 4.832
71 H ALA 12 HN ALA 12 7.006 9.915 8.655
72 HA ALA 12 HA ALA 12 7.776 7.907 10.457
73 1HB ALA 12 HB1 ALA 12 6.113 9.967 10.669
74 2HB ALA 12 HB2 ALA 12 5.992 8.589 11.763
75 3HB ALA 12 HB3 ALA 12 4.899 8.721 10.385
76 H CYS 13 HN CYS 13 4.711 7.799 8.595
77 HA CYS 13 HA CYS 13 4.036 5.132 9.112
78 1HB CYS 13 HB2 CYS 13 2.764 5.210 6.961
79 2HB CYS 13 HB1 CYS 13 2.493 6.626 7.976
80 H CYS 14 HN CYS 14 6.417 6.305 6.729
81 HA CYS 14 HA CYS 14 5.760 3.844 5.193
82 1HB CYS 14 HB2 CYS 14 6.206 6.686 4.263
83 2HB CYS 14 HB1 CYS 14 5.893 5.322 3.194
84 HA PRO 15 HA PRO 15 10.231 3.447 4.915
85 1HB PRO 15 HB2 PRO 15 10.257 1.052 3.611
86 2HB PRO 15 HB1 PRO 15 9.920 1.208 5.341
87 1HG PRO 15 HG2 PRO 15 8.091 0.559 3.133
88 2HG PRO 15 HG1 PRO 15 7.930 0.232 4.864
89 1HD PRO 15 HD2 PRO 15 6.662 2.317 3.359
90 2HD PRO 15 HD1 PRO 15 6.571 2.035 5.111
91 H CYS 16 HN CYS 16 11.839 3.033 3.065
92 HA CYS 16 HA CYS 16 11.147 4.698 0.804
93 1HB CYS 16 HB2 CYS 16 13.530 2.850 1.087
94 2HB CYS 16 HB1 CYS 16 13.386 4.221 -0.008
95 H CYS 17 HN CYS 17 11.137 3.991 -1.445
96 HA CYS 17 HA CYS 17 9.431 1.804 -2.023
97 1HB CYS 17 HB2 CYS 17 11.450 3.266 -3.745
98 2HB CYS 17 HB1 CYS 17 10.210 2.203 -4.377
99 HA PRO 18 HA PRO 18 12.087 -1.761 -2.150
100 1HB PRO 18 HB2 PRO 18 11.337 -3.027 -4.463
101 2HB PRO 18 HB1 PRO 18 10.359 -3.025 -2.987
102 1HG PRO 18 HG2 PRO 18 10.025 -1.424 -5.479
103 2HG PRO 18 HG1 PRO 18 8.795 -2.125 -4.414
104 1HD PRO 18 HD2 PRO 18 9.480 0.532 -4.389
105 2HD PRO 18 HD1 PRO 18 8.817 -0.316 -2.984
106 H GLY 19 HN GLY 19 14.214 -1.371 -2.483
107 1HA GLY 19 HA2 GLY 19 16.017 -1.750 -4.256
108 2HA GLY 19 HA1 GLY 19 15.140 -0.544 -5.208
109 H THR 20 HN THR 20 14.410 1.116 -3.035
110 HA THR 20 HA THR 20 17.006 2.446 -2.461
111 HB THR 20 HB THR 20 15.621 4.418 -1.944
112 HG1 THR 20 HG1 THR 20 13.403 2.791 -2.635
113 1HG2 THR 20 HG21 THR 20 16.108 4.414 -4.216
114 2HG2 THR 20 HG22 THR 20 14.346 4.463 -4.246
115 3HG2 THR 20 HG23 THR 20 15.191 2.939 -4.517
116 H SER 21 HN SER 21 17.419 3.145 -0.248
117 HA SER 21 HA SER 21 15.776 1.707 1.802
118 1HB SER 21 HB2 SER 21 18.370 1.759 2.849
119 2HB SER 21 HB1 SER 21 17.533 0.357 2.196
120 HG SER 21 HG SER 21 19.690 1.119 1.277
121 H CYS 22 HN CYS 22 15.784 2.678 3.929
122 HA CYS 22 HA CYS 22 16.117 5.603 3.821
123 1HB CYS 22 HB2 CYS 22 14.104 4.462 4.860
124 2HB CYS 22 HB1 CYS 22 15.163 3.949 6.169
125 H LYS 23 HN LYS 23 17.757 6.657 4.741
126 HA LYS 23 HA LYS 23 19.469 5.301 6.751
127 1HB LYS 23 HB2 LYS 23 21.510 6.096 5.533
128 2HB LYS 23 HB1 LYS 23 20.601 4.878 4.640
129 1HG LYS 23 HG2 LYS 23 19.392 7.099 3.693
130 2HG LYS 23 HG1 LYS 23 20.985 7.767 4.046
131 1HD LYS 23 HD2 LYS 23 21.343 6.986 1.895
132 2HD LYS 23 HD1 LYS 23 21.812 5.562 2.823
133 1HE LYS 23 HE2 LYS 23 18.966 5.956 1.898
134 2HE LYS 23 HE1 LYS 23 20.173 5.211 0.851
135 1HZ LYS 23 HZ1 LYS 23 20.632 3.773 2.946
136 2HZ LYS 23 HZ2 LYS 23 19.321 3.400 1.933
137 3HZ LYS 23 HZ3 LYS 23 19.061 4.235 3.389
138 H ALA 24 HN ALA 24 19.777 6.672 8.434
139 HA ALA 24 HA ALA 24 18.889 9.419 8.334
140 1HB ALA 24 HB1 ALA 24 18.715 8.474 10.469
141 2HB ALA 24 HB2 ALA 24 20.171 9.458 10.619
142 3HB ALA 24 HB3 ALA 24 20.305 7.717 10.369
143 H GLU 25 HN GLU 25 20.385 11.257 8.977
144 HA GLU 25 HA GLU 25 23.068 10.924 7.778
145 1HB GLU 25 HB2 GLU 25 20.888 12.743 7.044
146 2HB GLU 25 HB1 GLU 25 22.406 13.583 7.346
147 1HG GLU 25 HG2 GLU 25 23.403 11.624 5.860
148 2HG GLU 25 HG1 GLU 25 21.750 11.550 5.248
149 H SER 26 HN SER 26 24.379 13.027 8.393
150 HA SER 26 HA SER 26 24.628 13.028 11.269
151 1HB SER 26 HB2 SER 26 26.281 13.692 9.160
152 2HB SER 26 HB1 SER 26 25.913 15.267 9.855
153 HG SER 26 HG SER 26 27.650 13.557 10.732
154 H ASN 27 HN ASN 27 23.262 15.308 8.915
155 HA ASN 27 HA ASN 27 22.824 17.494 10.649
156 1HB ASN 27 HB2 ASN 27 21.040 18.158 9.062
157 2HB ASN 27 HB1 ASN 27 22.516 17.674 8.232
158 1HD2 ASN 27 HD21 ASN 27 19.970 17.571 6.924
159 2HD2 ASN 27 HD22 ASN 27 19.581 15.945 6.638
160 H GLY 28 HN GLY 28 21.251 14.430 10.580
161 1HA GLY 28 HA2 GLY 28 19.968 13.785 12.588
162 2HA GLY 28 HA1 GLY 28 19.331 15.427 12.634
163 H VAL 29 HN VAL 29 19.123 15.067 9.496
164 HA VAL 29 HA VAL 29 16.401 13.878 9.638
165 HB VAL 29 HB VAL 29 17.666 15.460 7.387
166 1HG1 VAL 29 HG11 VAL 29 14.845 14.561 8.015
167 2HG1 VAL 29 HG12 VAL 29 15.808 14.165 6.592
168 3HG1 VAL 29 HG13 VAL 29 15.210 15.809 6.823
169 1HG2 VAL 29 HG21 VAL 29 15.926 17.191 8.402
170 2HG2 VAL 29 HG22 VAL 29 17.559 17.071 9.057
171 3HG2 VAL 29 HG23 VAL 29 16.217 16.275 9.880
172 H SER 30 HN SER 30 15.776 12.210 8.260
173 HA SER 30 HA SER 30 18.048 10.732 7.027
174 1HB SER 30 HB2 SER 30 15.370 9.599 7.846
175 2HB SER 30 HB1 SER 30 16.824 8.703 7.425
176 HG SER 30 HG SER 30 16.074 9.607 9.799
177 H TYR 31 HN TYR 31 17.841 9.972 4.901
178 HA TYR 31 HA TYR 31 15.338 10.599 3.436
179 1HB TYR 31 HB2 TYR 31 18.129 11.247 2.456
180 2HB TYR 31 HB1 TYR 31 16.630 11.538 1.589
181 HD1 TYR 31 HD1 TYR 31 18.594 12.477 4.588
182 HD2 TYR 31 HD2 TYR 31 15.264 13.451 2.058
183 HE1 TYR 31 HE1 TYR 31 18.377 14.669 5.718
184 HE2 TYR 31 HE2 TYR 31 15.045 15.647 3.192
185 HH TYR 31 HH TYR 31 16.773 17.209 4.518
186 H CYS 32 HN CYS 32 15.165 9.351 1.426
187 HA CYS 32 HA CYS 32 16.389 6.690 1.686
188 1HB CYS 32 HB2 CYS 32 14.493 7.758 -0.406
189 2HB CYS 32 HB1 CYS 32 14.950 6.074 -0.205
190 H ARG 33 HN ARG 33 17.651 5.759 -0.028
191 HA ARG 33 HA ARG 33 18.620 7.498 -2.175
192 1HB ARG 33 HB2 ARG 33 20.074 7.275 0.254
193 2HB ARG 33 HB1 ARG 33 20.923 6.258 -0.911
194 1HG ARG 33 HG2 ARG 33 21.839 8.457 -1.139
195 2HG ARG 33 HG1 ARG 33 20.783 8.212 -2.531
196 1HD ARG 33 HD2 ARG 33 19.284 9.787 -1.835
197 2HD ARG 33 HD1 ARG 33 19.464 9.343 -0.141
198 HE ARG 33 HE ARG 33 20.949 11.423 -1.528
199 1HH1 ARG 33 HH21 ARG 33 21.040 9.110 1.094
200 2HH1 ARG 33 HH22 ARG 33 22.210 10.018 1.986
201 1HH2 ARG 33 HH11 ARG 33 22.461 12.565 -0.339
202 2HH2 ARG 33 HH12 ARG 33 23.008 11.953 1.186
203 H LYS 34 HN LYS 34 18.943 6.203 -3.951
204 HA LYS 34 HA LYS 34 18.144 3.498 -3.969
205 1HB LYS 34 HB2 LYS 34 19.648 5.257 -5.859
206 2HB LYS 34 HB1 LYS 34 19.709 3.519 -6.153
207 1HG LYS 34 HG2 LYS 34 17.284 3.391 -6.221
208 2HG LYS 34 HG1 LYS 34 17.148 5.087 -5.761
209 1HD LYS 34 HD2 LYS 34 17.688 5.845 -7.850
210 2HD LYS 34 HD1 LYS 34 18.811 4.519 -8.153
211 1HE LYS 34 HE2 LYS 34 17.177 3.143 -8.991
212 2HE LYS 34 HE1 LYS 34 15.935 3.795 -7.923
213 1HZ LYS 34 HZ1 LYS 34 17.076 5.183 -10.287
214 2HZ LYS 34 HZ2 LYS 34 15.864 5.793 -9.264
215 3HZ LYS 34 HZ3 LYS 34 15.559 4.428 -10.228
216 H ASP 35 HN ASP 35 19.303 1.540 -4.047
217 HA ASP 35 HA ASP 35 21.491 1.269 -2.268
218 1HB ASP 35 HB2 ASP 35 20.222 -0.505 -4.324
219 2HB ASP 35 HB1 ASP 35 21.751 -1.003 -3.600
220 H GLU 36 HN GLU 36 23.682 0.325 -2.927
221 HA GLU 36 HA GLU 36 24.642 1.402 -5.534
222 1HB GLU 36 HB2 GLU 36 25.654 2.083 -2.781
223 2HB GLU 36 HB1 GLU 36 26.749 2.118 -4.164
224 1HG GLU 36 HG2 GLU 36 25.326 3.716 -5.317
225 2HG GLU 36 HG1 GLU 36 24.111 3.605 -4.044
226 HA PRO 37 HA PRO 37 26.395 -2.798 -4.832
227 1HB PRO 37 HB2 PRO 37 25.697 -3.787 -7.278
228 2HB PRO 37 HB1 PRO 37 24.602 -3.780 -5.887
229 1HG PRO 37 HG2 PRO 37 24.512 -2.162 -8.335
230 2HG PRO 37 HG1 PRO 37 23.228 -2.519 -7.174
231 1HD PRO 37 HD2 PRO 37 24.784 -0.108 -7.393
232 2HD PRO 37 HD1 PRO 37 23.505 -0.478 -6.216
Start of MODEL 14
1 1H ALA 1 HT1 ALA 1 0.157 -1.902 1.166
2 2H ALA 1 HT2 ALA 1 -1.196 -0.876 1.115
3 3H ALA 1 HT3 ALA 1 -0.262 -0.987 2.530
4 HA ALA 1 HA ALA 1 1.510 0.189 1.630
5 1HB ALA 1 HB1 ALA 1 0.221 -0.589 -0.977
6 2HB ALA 1 HB2 ALA 1 1.888 -0.827 -0.451
7 3HB ALA 1 HB3 ALA 1 1.329 0.781 -0.911
8 H ILE 2 HN ILE 2 1.455 2.434 1.690
9 HA ILE 2 HA ILE 2 -1.045 3.726 2.210
10 HB ILE 2 HB ILE 2 1.122 4.533 3.101
11 1HG1 ILE 2 HG12 ILE 2 0.236 6.809 1.397
12 2HG1 ILE 2 HG11 ILE 2 -0.999 6.041 2.396
13 1HG2 ILE 2 HG21 ILE 2 2.220 4.078 0.744
14 2HG2 ILE 2 HG22 ILE 2 2.836 5.374 1.770
15 3HG2 ILE 2 HG23 ILE 2 1.751 5.750 0.432
16 1HD1 ILE 2 HD11 ILE 2 0.189 6.492 4.403
17 2HD1 ILE 2 HD12 ILE 2 0.307 7.981 3.466
18 3HD1 ILE 2 HD13 ILE 2 1.675 6.870 3.531
19 H CYS 3 HN CYS 3 -2.143 5.338 0.911
20 HA CYS 3 HA CYS 3 -1.641 5.024 -2.014
21 1HB CYS 3 HB2 CYS 3 -4.075 5.496 -2.276
22 2HB CYS 3 HB1 CYS 3 -3.757 4.015 -1.383
23 H THR 4 HN THR 4 -2.608 6.979 -3.255
24 HA THR 4 HA THR 4 -1.379 9.395 -2.149
25 HB THR 4 HB THR 4 -2.913 8.965 -4.737
26 HG1 THR 4 HG1 THR 4 -1.068 7.730 -4.694
27 1HG2 THR 4 HG21 THR 4 -2.075 11.066 -5.450
28 2HG2 THR 4 HG22 THR 4 -0.923 11.150 -4.117
29 3HG2 THR 4 HG23 THR 4 -2.647 11.357 -3.807
30 H GLY 5 HN GLY 5 -4.585 9.072 -3.707
31 1HA GLY 5 HA2 GLY 5 -6.529 9.433 -2.017
32 2HA GLY 5 HA1 GLY 5 -5.659 10.917 -1.633
33 H ALA 6 HN ALA 6 -8.341 10.313 -2.958
34 HA ALA 6 HA ALA 6 -8.366 11.005 -5.685
35 1HB ALA 6 HB1 ALA 6 -10.594 12.318 -4.634
36 2HB ALA 6 HB2 ALA 6 -10.288 11.011 -3.490
37 3HB ALA 6 HB3 ALA 6 -10.538 10.648 -5.197
38 H ASP 7 HN ASP 7 -9.021 13.121 -6.632
39 HA ASP 7 HA ASP 7 -8.501 15.357 -7.082
40 1HB ASP 7 HB2 ASP 7 -9.261 15.243 -4.209
41 2HB ASP 7 HB1 ASP 7 -8.535 16.737 -4.790
42 H ARG 8 HN ARG 8 -6.254 13.440 -6.264
43 HA ARG 8 HA ARG 8 -4.224 15.566 -5.721
44 1HB ARG 8 HB2 ARG 8 -4.907 13.430 -3.985
45 2HB ARG 8 HB1 ARG 8 -3.358 12.994 -4.703
46 1HG ARG 8 HG2 ARG 8 -2.992 15.661 -4.119
47 2HG ARG 8 HG1 ARG 8 -4.015 15.133 -2.786
48 1HD ARG 8 HD2 ARG 8 -2.382 13.125 -2.602
49 2HD ARG 8 HD1 ARG 8 -1.292 14.109 -3.577
50 HE ARG 8 HE ARG 8 -1.914 14.532 -0.779
51 1HH1 ARG 8 HH21 ARG 8 -1.092 16.152 -3.768
52 2HH1 ARG 8 HH22 ARG 8 -0.406 17.516 -2.956
53 1HH2 ARG 8 HH11 ARG 8 -1.012 16.312 0.229
54 2HH2 ARG 8 HH12 ARG 8 -0.358 17.607 -0.718
55 HA PRO 9 HA PRO 9 -2.180 13.810 -9.242
56 1HB PRO 9 HB2 PRO 9 0.439 14.317 -8.658
57 2HB PRO 9 HB1 PRO 9 -0.712 15.569 -9.150
58 1HG PRO 9 HG2 PRO 9 0.397 14.975 -6.464
59 2HG PRO 9 HG1 PRO 9 -0.127 16.517 -7.155
60 1HD PRO 9 HD2 PRO 9 -1.597 14.968 -5.344
61 2HD PRO 9 HD1 PRO 9 -2.255 16.267 -6.360
62 H CYS 10 HN CYS 10 -1.855 11.673 -9.704
63 HA CYS 10 HA CYS 10 -1.331 9.644 -7.811
64 1HB CYS 10 HB2 CYS 10 -0.802 9.674 -10.799
65 2HB CYS 10 HB1 CYS 10 -0.753 8.224 -9.797
66 H ALA 11 HN ALA 11 0.687 8.140 -7.995
67 HA ALA 11 HA ALA 11 3.168 9.774 -8.301
68 1HB ALA 11 HB1 ALA 11 2.262 8.160 -5.926
69 2HB ALA 11 HB2 ALA 11 2.930 9.791 -5.964
70 3HB ALA 11 HB3 ALA 11 3.981 8.402 -6.237
71 H ALA 12 HN ALA 12 5.107 8.451 -8.624
72 HA ALA 12 HA ALA 12 4.870 6.430 -10.556
73 1HB ALA 12 HB1 ALA 12 7.233 5.813 -9.881
74 2HB ALA 12 HB2 ALA 12 7.081 6.975 -8.563
75 3HB ALA 12 HB3 ALA 12 6.986 7.522 -10.236
76 H CYS 13 HN CYS 13 5.903 5.800 -7.180
77 HA CYS 13 HA CYS 13 5.667 3.010 -7.212
78 1HB CYS 13 HB2 CYS 13 5.323 3.180 -4.738
79 2HB CYS 13 HB1 CYS 13 6.666 4.160 -5.323
80 H CYS 14 HN CYS 14 3.022 5.372 -6.853
81 HA CYS 14 HA CYS 14 1.650 3.257 -5.274
82 1HB CYS 14 HB2 CYS 14 1.883 6.236 -4.813
83 2HB CYS 14 HB1 CYS 14 0.939 5.145 -3.803
84 HA PRO 15 HA PRO 15 -1.897 4.280 -7.830
85 1HB PRO 15 HB2 PRO 15 -3.632 2.495 -6.716
86 2HB PRO 15 HB1 PRO 15 -2.349 2.023 -7.841
87 1HG PRO 15 HG2 PRO 15 -2.553 1.569 -4.943
88 2HG PRO 15 HG1 PRO 15 -1.593 0.710 -6.155
89 1HD PRO 15 HD2 PRO 15 -0.682 2.696 -4.300
90 2HD PRO 15 HD1 PRO 15 0.258 1.889 -5.574
91 H CYS 16 HN CYS 16 -4.263 4.911 -7.404
92 HA CYS 16 HA CYS 16 -4.358 6.888 -5.287
93 1HB CYS 16 HB2 CYS 16 -6.610 5.848 -7.028
94 2HB CYS 16 HB1 CYS 16 -6.625 7.339 -6.087
95 H CYS 17 HN CYS 17 -5.994 6.912 -3.572
96 HA CYS 17 HA CYS 17 -6.028 4.594 -1.942
97 1HB CYS 17 HB2 CYS 17 -7.841 7.019 -2.004
98 2HB CYS 17 HB1 CYS 17 -7.789 5.871 -0.683
99 HA PRO 18 HA PRO 18 -9.408 2.143 -3.452
100 1HB PRO 18 HB2 PRO 18 -10.751 1.445 -1.165
101 2HB PRO 18 HB1 PRO 18 -9.202 0.735 -1.647
102 1HG PRO 18 HG2 PRO 18 -9.770 2.824 0.402
103 2HG PRO 18 HG1 PRO 18 -8.570 1.521 0.420
104 1HD PRO 18 HD2 PRO 18 -7.954 4.135 -0.140
105 2HD PRO 18 HD1 PRO 18 -7.014 2.763 -0.744
106 H GLY 19 HN GLY 19 -11.163 2.905 -4.508
107 1HA GLY 19 HA2 GLY 19 -13.516 3.710 -4.386
108 2HA GLY 19 HA1 GLY 19 -13.000 4.803 -3.095
109 H THR 20 HN THR 20 -10.515 5.523 -4.299
110 HA THR 20 HA THR 20 -11.475 7.394 -6.403
111 HB THR 20 HB THR 20 -9.498 8.705 -5.895
112 HG1 THR 20 HG1 THR 20 -7.918 7.894 -4.487
113 1HG2 THR 20 HG21 THR 20 -9.724 8.970 -3.389
114 2HG2 THR 20 HG22 THR 20 -10.795 7.571 -3.404
115 3HG2 THR 20 HG23 THR 20 -11.247 9.037 -4.272
116 H SER 21 HN SER 21 -10.120 7.606 -8.371
117 HA SER 21 HA SER 21 -8.351 5.252 -8.868
118 1HB SER 21 HB2 SER 21 -9.801 5.858 -11.280
119 2HB SER 21 HB1 SER 21 -9.724 4.347 -10.385
120 HG SER 21 HG SER 21 -11.713 6.158 -10.531
121 H CYS 22 HN CYS 22 -6.597 5.650 -10.179
122 HA CYS 22 HA CYS 22 -5.755 8.361 -10.565
123 1HB CYS 22 HB2 CYS 22 -4.280 6.267 -10.334
124 2HB CYS 22 HB1 CYS 22 -4.622 5.977 -12.038
125 H LYS 23 HN LYS 23 -5.738 9.585 -12.402
126 HA LYS 23 HA LYS 23 -6.983 8.506 -14.878
127 1HB LYS 23 HB2 LYS 23 -7.821 11.181 -13.731
128 2HB LYS 23 HB1 LYS 23 -8.577 10.278 -15.043
129 1HG LYS 23 HG2 LYS 23 -8.927 8.427 -13.221
130 2HG LYS 23 HG1 LYS 23 -8.680 9.751 -12.082
131 1HD LYS 23 HD2 LYS 23 -10.475 11.033 -13.288
132 2HD LYS 23 HD1 LYS 23 -10.789 9.590 -14.252
133 1HE LYS 23 HE2 LYS 23 -10.757 9.379 -11.256
134 2HE LYS 23 HE1 LYS 23 -12.189 10.018 -12.064
135 1HZ LYS 23 HZ1 LYS 23 -10.969 7.344 -12.305
136 2HZ LYS 23 HZ2 LYS 23 -11.957 7.956 -13.544
137 3HZ LYS 23 HZ3 LYS 23 -12.582 7.753 -11.978
138 H ALA 24 HN ALA 24 -6.839 10.419 -16.613
139 HA ALA 24 HA ALA 24 -4.202 11.787 -16.264
140 1HB ALA 24 HB1 ALA 24 -4.240 11.426 -18.927
141 2HB ALA 24 HB2 ALA 24 -5.190 10.018 -18.454
142 3HB ALA 24 HB3 ALA 24 -3.553 10.227 -17.831
143 H GLU 25 HN GLU 25 -4.028 13.822 -17.442
144 HA GLU 25 HA GLU 25 -6.643 14.927 -18.281
145 1HB GLU 25 HB2 GLU 25 -5.138 15.744 -16.089
146 2HB GLU 25 HB1 GLU 25 -4.736 16.929 -17.326
147 1HG GLU 25 HG2 GLU 25 -6.920 17.699 -17.491
148 2HG GLU 25 HG1 GLU 25 -7.610 16.172 -16.941
149 H SER 26 HN SER 26 -6.159 17.091 -19.507
150 HA SER 26 HA SER 26 -4.691 16.372 -21.900
151 1HB SER 26 HB2 SER 26 -6.701 18.201 -21.257
152 2HB SER 26 HB1 SER 26 -5.321 19.217 -21.659
153 HG SER 26 HG SER 26 -5.826 18.767 -23.645
154 H ASN 27 HN ASN 27 -4.045 18.377 -19.081
155 HA ASN 27 HA ASN 27 -1.795 19.801 -20.039
156 1HB ASN 27 HB2 ASN 27 -1.124 19.909 -17.613
157 2HB ASN 27 HB1 ASN 27 -2.782 20.415 -17.928
158 1HD2 ASN 27 HD21 ASN 27 -3.482 19.805 -15.752
159 2HD2 ASN 27 HD22 ASN 27 -3.633 18.175 -15.300
160 H GLY 28 HN GLY 28 -2.116 16.449 -19.337
161 1HA GLY 28 HA2 GLY 28 -0.421 14.889 -20.143
162 2HA GLY 28 HA1 GLY 28 0.800 16.115 -19.812
163 H VAL 29 HN VAL 29 -0.924 16.484 -17.146
164 HA VAL 29 HA VAL 29 0.660 14.458 -15.658
165 HB VAL 29 HB VAL 29 -0.865 16.842 -14.577
166 1HG1 VAL 29 HG11 VAL 29 1.109 14.865 -13.440
167 2HG1 VAL 29 HG12 VAL 29 -0.463 15.339 -12.799
168 3HG1 VAL 29 HG13 VAL 29 0.898 16.457 -12.714
169 1HG2 VAL 29 HG21 VAL 29 2.070 16.564 -15.303
170 2HG2 VAL 29 HG22 VAL 29 1.355 17.947 -14.475
171 3HG2 VAL 29 HG23 VAL 29 0.893 17.579 -16.136
172 H SER 30 HN SER 30 -0.328 13.068 -14.167
173 HA SER 30 HA SER 30 -3.237 12.672 -14.653
174 1HB SER 30 HB2 SER 30 -0.998 10.845 -13.840
175 2HB SER 30 HB1 SER 30 -2.666 10.386 -13.549
176 HG SER 30 HG SER 30 -2.194 9.636 -15.555
177 H TYR 31 HN TYR 31 -4.658 12.513 -12.911
178 HA TYR 31 HA TYR 31 -3.590 12.798 -10.162
179 1HB TYR 31 HB2 TYR 31 -5.854 14.490 -11.218
180 2HB TYR 31 HB1 TYR 31 -5.095 14.595 -9.644
181 HD1 TYR 31 HD1 TYR 31 -4.468 15.038 -13.286
182 HD2 TYR 31 HD2 TYR 31 -3.146 15.902 -9.291
183 HE1 TYR 31 HE1 TYR 31 -2.814 16.654 -14.183
184 HE2 TYR 31 HE2 TYR 31 -1.491 17.517 -10.188
185 HH TYR 31 HH TYR 31 -0.309 17.982 -12.249
186 H CYS 32 HN CYS 32 -5.004 11.959 -8.582
187 HA CYS 32 HA CYS 32 -6.817 9.887 -9.487
188 1HB CYS 32 HB2 CYS 32 -6.522 11.026 -6.709
189 2HB CYS 32 HB1 CYS 32 -7.268 9.493 -7.130
190 H ARG 33 HN ARG 33 -9.112 9.826 -8.792
191 HA ARG 33 HA ARG 33 -10.420 12.408 -8.305
192 1HB ARG 33 HB2 ARG 33 -10.206 11.311 -10.942
193 2HB ARG 33 HB1 ARG 33 -11.879 11.105 -10.424
194 1HG ARG 33 HG2 ARG 33 -11.717 13.268 -11.460
195 2HG ARG 33 HG1 ARG 33 -11.861 13.532 -9.722
196 1HD ARG 33 HD2 ARG 33 -9.739 14.351 -9.538
197 2HD ARG 33 HD1 ARG 33 -9.100 13.212 -10.720
198 HE ARG 33 HE ARG 33 -9.381 14.868 -12.358
199 1HH1 ARG 33 HH21 ARG 33 -11.464 15.542 -9.631
200 2HH1 ARG 33 HH22 ARG 33 -12.006 17.047 -10.288
201 1HH2 ARG 33 HH11 ARG 33 -10.110 16.822 -13.171
202 2HH2 ARG 33 HH12 ARG 33 -11.249 17.765 -12.270
203 H LYS 34 HN LYS 34 -11.793 11.917 -6.697
204 HA LYS 34 HA LYS 34 -12.406 9.273 -5.870
205 1HB LYS 34 HB2 LYS 34 -14.175 10.336 -4.459
206 2HB LYS 34 HB1 LYS 34 -12.623 11.164 -4.336
207 1HG LYS 34 HG2 LYS 34 -13.665 12.549 -6.391
208 2HG LYS 34 HG1 LYS 34 -15.165 12.077 -5.592
209 1HD LYS 34 HD2 LYS 34 -13.755 12.863 -3.432
210 2HD LYS 34 HD1 LYS 34 -13.011 13.899 -4.651
211 1HE LYS 34 HE2 LYS 34 -14.796 15.241 -4.071
212 2HE LYS 34 HE1 LYS 34 -15.563 14.285 -5.339
213 1HZ LYS 34 HZ1 LYS 34 -16.696 14.508 -3.040
214 2HZ LYS 34 HZ2 LYS 34 -15.587 13.312 -2.564
215 3HZ LYS 34 HZ3 LYS 34 -16.686 13.003 -3.822
216 H ASP 35 HN ASP 35 -14.134 7.921 -6.253
217 HA ASP 35 HA ASP 35 -15.425 7.994 -8.770
218 1HB ASP 35 HB2 ASP 35 -15.827 6.442 -6.241
219 2HB ASP 35 HB1 ASP 35 -17.069 6.348 -7.491
220 H GLU 36 HN GLU 36 -17.942 7.919 -8.942
221 HA GLU 36 HA GLU 36 -19.011 10.311 -7.509
222 1HB GLU 36 HB2 GLU 36 -19.691 9.103 -10.199
223 2HB GLU 36 HB1 GLU 36 -20.642 10.384 -9.446
224 1HG GLU 36 HG2 GLU 36 -18.751 11.885 -9.444
225 2HG GLU 36 HG1 GLU 36 -17.666 10.596 -9.969
226 HA PRO 37 HA PRO 37 -21.737 7.067 -5.803
227 1HB PRO 37 HB2 PRO 37 -22.346 8.419 -3.512
228 2HB PRO 37 HB1 PRO 37 -20.848 7.502 -3.727
229 1HG PRO 37 HG2 PRO 37 -21.257 10.410 -3.619
230 2HG PRO 37 HG1 PRO 37 -19.786 9.468 -3.343
231 1HD PRO 37 HD2 PRO 37 -20.512 10.930 -5.706
232 2HD PRO 37 HD1 PRO 37 -19.060 9.941 -5.443
Start of MODEL 15
1 1H ALA 1 HT1 ALA 1 -0.556 -1.567 0.087
2 2H ALA 1 HT2 ALA 1 0.416 -2.101 1.374
3 3H ALA 1 HT3 ALA 1 1.082 -1.916 -0.178
4 HA ALA 1 HA ALA 1 0.785 0.457 -0.088
5 1HB ALA 1 HB1 ALA 1 -1.268 0.025 1.543
6 2HB ALA 1 HB2 ALA 1 -0.363 1.537 1.614
7 3HB ALA 1 HB3 ALA 1 -0.038 0.258 2.784
8 H ILE 2 HN ILE 2 2.406 1.811 0.969
9 HA ILE 2 HA ILE 2 4.776 0.382 1.705
10 HB ILE 2 HB ILE 2 4.819 2.633 0.685
11 1HG1 ILE 2 HG12 ILE 2 6.021 2.935 3.430
12 2HG1 ILE 2 HG11 ILE 2 6.635 1.707 2.323
13 1HG2 ILE 2 HG21 ILE 2 2.793 3.362 2.166
14 2HG2 ILE 2 HG22 ILE 2 4.021 4.560 1.758
15 3HG2 ILE 2 HG23 ILE 2 4.029 3.795 3.347
16 1HD1 ILE 2 HD11 ILE 2 7.221 3.346 0.681
17 2HD1 ILE 2 HD12 ILE 2 7.816 3.964 2.221
18 3HD1 ILE 2 HD13 ILE 2 6.328 4.609 1.527
19 H CYS 3 HN CYS 3 5.819 0.262 3.776
20 HA CYS 3 HA CYS 3 3.975 0.651 6.090
21 1HB CYS 3 HB2 CYS 3 5.205 -1.270 7.131
22 2HB CYS 3 HB1 CYS 3 4.269 -1.716 5.711
23 H THR 4 HN THR 4 5.396 0.642 8.215
24 HA THR 4 HA THR 4 7.279 2.865 7.925
25 HB THR 4 HB THR 4 6.466 1.297 10.394
26 HG1 THR 4 HG1 THR 4 4.755 2.491 10.386
27 1HG2 THR 4 HG21 THR 4 7.608 4.091 10.226
28 2HG2 THR 4 HG22 THR 4 8.625 2.669 10.459
29 3HG2 THR 4 HG23 THR 4 7.405 3.088 11.662
30 H GLY 5 HN GLY 5 7.660 -0.172 9.794
31 1HA GLY 5 HA2 GLY 5 9.537 -1.687 8.851
32 2HA GLY 5 HA1 GLY 5 10.506 -0.217 8.905
33 H ALA 6 HN ALA 6 10.622 -2.864 10.397
34 HA ALA 6 HA ALA 6 9.964 -2.615 13.116
35 1HB ALA 6 HB1 ALA 6 11.113 -4.544 13.317
36 2HB ALA 6 HB2 ALA 6 12.610 -3.803 12.753
37 3HB ALA 6 HB3 ALA 6 11.436 -4.416 11.589
38 H ASP 7 HN ASP 7 11.527 -2.240 14.924
39 HA ASP 7 HA ASP 7 12.770 -0.693 16.155
40 1HB ASP 7 HB2 ASP 7 14.352 -1.340 13.722
41 2HB ASP 7 HB1 ASP 7 14.916 0.000 14.715
42 H ARG 8 HN ARG 8 10.688 0.420 14.196
43 HA ARG 8 HA ARG 8 11.764 3.211 14.182
44 1HB ARG 8 HB2 ARG 8 11.074 1.655 11.903
45 2HB ARG 8 HB1 ARG 8 9.800 2.855 12.092
46 1HG ARG 8 HG2 ARG 8 11.230 4.243 10.999
47 2HG ARG 8 HG1 ARG 8 12.055 4.361 12.553
48 1HD ARG 8 HD2 ARG 8 13.718 2.838 11.937
49 2HD ARG 8 HD1 ARG 8 12.716 2.098 10.688
50 HE ARG 8 HE ARG 8 13.507 3.721 9.184
51 1HH1 ARG 8 HH21 ARG 8 14.002 4.810 12.471
52 2HH1 ARG 8 HH22 ARG 8 14.878 6.217 11.978
53 1HH2 ARG 8 HH11 ARG 8 14.645 5.554 8.593
54 2HH2 ARG 8 HH12 ARG 8 15.240 6.636 9.808
55 HA PRO 9 HA PRO 9 7.993 4.212 16.279
56 1HB PRO 9 HB2 PRO 9 7.565 6.773 15.433
57 2HB PRO 9 HB1 PRO 9 8.835 6.323 16.580
58 1HG PRO 9 HG2 PRO 9 9.052 7.040 13.710
59 2HG PRO 9 HG1 PRO 9 10.209 7.283 15.027
60 1HD PRO 9 HD2 PRO 9 10.362 5.269 13.089
61 2HD PRO 9 HD1 PRO 9 11.234 5.279 14.636
62 H CYS 10 HN CYS 10 5.931 3.559 15.832
63 HA CYS 10 HA CYS 10 4.881 3.064 13.263
64 1HB CYS 10 HB2 CYS 10 3.378 3.684 15.827
65 2HB CYS 10 HB1 CYS 10 2.665 2.957 14.388
66 H ALA 11 HN ALA 11 2.818 4.199 12.388
67 HA ALA 11 HA ALA 11 2.985 7.154 12.777
68 1HB ALA 11 HB1 ALA 11 2.589 5.979 10.035
69 2HB ALA 11 HB2 ALA 11 4.216 6.202 10.677
70 3HB ALA 11 HB3 ALA 11 3.148 7.592 10.479
71 H ALA 12 HN ALA 12 1.017 8.280 12.130
72 HA ALA 12 HA ALA 12 -1.387 7.135 13.017
73 1HB ALA 12 HB1 ALA 12 -2.502 8.987 11.695
74 2HB ALA 12 HB2 ALA 12 -0.908 9.391 11.057
75 3HB ALA 12 HB3 ALA 12 -1.225 9.521 12.788
76 H CYS 13 HN CYS 13 -0.712 7.840 9.565
77 HA CYS 13 HA CYS 13 -2.829 6.390 8.446
78 1HB CYS 13 HB2 CYS 13 -1.401 6.203 6.402
79 2HB CYS 13 HB1 CYS 13 -1.421 7.829 7.083
80 H CYS 14 HN CYS 14 0.243 5.083 9.671
81 HA CYS 14 HA CYS 14 -0.128 2.888 7.696
82 1HB CYS 14 HB2 CYS 14 2.349 4.444 8.462
83 2HB CYS 14 HB1 CYS 14 2.317 3.117 7.304
84 HA PRO 15 HA PRO 15 0.900 0.272 11.204
85 1HB PRO 15 HB2 PRO 15 0.592 -2.117 9.924
86 2HB PRO 15 HB1 PRO 15 -0.772 -1.129 10.469
87 1HG PRO 15 HG2 PRO 15 0.201 -1.628 7.740
88 2HG PRO 15 HG1 PRO 15 -1.395 -1.102 8.290
89 1HD PRO 15 HD2 PRO 15 0.678 0.523 7.162
90 2HD PRO 15 HD1 PRO 15 -0.892 1.058 7.799
91 H CYS 16 HN CYS 16 2.511 -1.576 11.598
92 HA CYS 16 HA CYS 16 5.078 -0.867 10.468
93 1HB CYS 16 HB2 CYS 16 4.389 -3.339 12.076
94 2HB CYS 16 HB1 CYS 16 5.986 -2.630 11.861
95 H CYS 17 HN CYS 17 6.479 -2.386 9.289
96 HA CYS 17 HA CYS 17 5.326 -3.456 6.932
97 1HB CYS 17 HB2 CYS 17 7.945 -4.051 8.329
98 2HB CYS 17 HB1 CYS 17 7.579 -4.554 6.692
99 HA PRO 18 HA PRO 18 3.917 -7.521 8.050
100 1HB PRO 18 HB2 PRO 18 4.858 -9.096 6.014
101 2HB PRO 18 HB1 PRO 18 3.491 -7.984 5.839
102 1HG PRO 18 HG2 PRO 18 6.314 -7.669 4.936
103 2HG PRO 18 HG1 PRO 18 4.813 -7.136 4.160
104 1HD PRO 18 HD2 PRO 18 6.479 -5.455 5.554
105 2HD PRO 18 HD1 PRO 18 4.745 -5.165 5.353
106 H GLY 19 HN GLY 19 4.825 -8.466 9.800
107 1HA GLY 19 HA2 GLY 19 6.389 -10.374 10.434
108 2HA GLY 19 HA1 GLY 19 7.654 -9.434 9.631
109 H THR 20 HN THR 20 6.713 -6.885 10.490
110 HA THR 20 HA THR 20 7.615 -6.913 13.321
111 HB THR 20 HB THR 20 8.013 -4.505 12.983
112 HG1 THR 20 HG1 THR 20 7.095 -4.935 10.333
113 1HG2 THR 20 HG21 THR 20 9.069 -6.417 10.908
114 2HG2 THR 20 HG22 THR 20 9.886 -5.771 12.331
115 3HG2 THR 20 HG23 THR 20 9.591 -4.733 10.936
116 H SER 21 HN SER 21 6.362 -5.696 14.895
117 HA SER 21 HA SER 21 3.538 -5.162 14.053
118 1HB SER 21 HB2 SER 21 3.985 -6.123 16.821
119 2HB SER 21 HB1 SER 21 2.662 -6.459 15.714
120 HG SER 21 HG SER 21 3.654 -8.243 15.263
121 H CYS 22 HN CYS 22 2.416 -3.545 15.336
122 HA CYS 22 HA CYS 22 4.273 -1.525 16.442
123 1HB CYS 22 HB2 CYS 22 2.437 -0.925 14.809
124 2HB CYS 22 HB1 CYS 22 1.277 -1.278 16.085
125 H LYS 23 HN LYS 23 4.487 -1.198 18.555
126 HA LYS 23 HA LYS 23 2.374 -2.093 20.432
127 1HB LYS 23 HB2 LYS 23 4.481 -2.863 21.909
128 2HB LYS 23 HB1 LYS 23 3.646 -3.969 20.826
129 1HG LYS 23 HG2 LYS 23 5.821 -2.375 19.580
130 2HG LYS 23 HG1 LYS 23 6.340 -3.560 20.779
131 1HD LYS 23 HD2 LYS 23 4.826 -5.231 19.543
132 2HD LYS 23 HD1 LYS 23 4.773 -4.043 18.242
133 1HE LYS 23 HE2 LYS 23 7.006 -4.324 17.706
134 2HE LYS 23 HE1 LYS 23 7.449 -4.784 19.350
135 1HZ LYS 23 HZ1 LYS 23 6.757 -6.930 19.039
136 2HZ LYS 23 HZ2 LYS 23 7.344 -6.564 17.487
137 3HZ LYS 23 HZ3 LYS 23 5.674 -6.533 17.796
138 H ALA 24 HN ALA 24 2.026 -0.588 21.988
139 HA ALA 24 HA ALA 24 3.559 1.872 21.992
140 1HB ALA 24 HB1 ALA 24 1.542 0.936 24.052
141 2HB ALA 24 HB2 ALA 24 1.098 1.699 22.525
142 3HB ALA 24 HB3 ALA 24 2.031 2.598 23.722
143 H GLU 25 HN GLU 25 4.571 2.739 24.034
144 HA GLU 25 HA GLU 25 5.754 0.590 25.687
145 1HB GLU 25 HB2 GLU 25 7.080 2.503 23.926
146 2HB GLU 25 HB1 GLU 25 7.672 2.624 25.582
147 1HG GLU 25 HG2 GLU 25 9.048 0.938 24.792
148 2HG GLU 25 HG1 GLU 25 7.703 -0.030 25.395
149 H SER 26 HN SER 26 6.989 1.844 27.597
150 HA SER 26 HA SER 26 4.913 3.150 29.127
151 1HB SER 26 HB2 SER 26 7.334 1.862 29.692
152 2HB SER 26 HB1 SER 26 7.603 3.528 30.189
153 HG SER 26 HG SER 26 6.626 2.628 31.906
154 H ASN 27 HN ASN 27 7.671 4.250 27.243
155 HA ASN 27 HA ASN 27 7.874 6.905 28.191
156 1HB ASN 27 HB2 ASN 27 8.778 7.411 25.890
157 2HB ASN 27 HB1 ASN 27 9.555 6.050 26.696
158 1HD2 ASN 27 HD21 ASN 27 10.112 4.891 24.754
159 2HD2 ASN 27 HD22 ASN 27 8.940 4.226 23.723
160 H GLY 28 HN GLY 28 5.373 5.443 26.332
161 1HA GLY 28 HA2 GLY 28 3.206 6.588 26.195
162 2HA GLY 28 HA1 GLY 28 4.079 8.111 26.048
163 H VAL 29 HN VAL 29 6.005 6.668 24.132
164 HA VAL 29 HA VAL 29 4.306 7.050 21.722
165 HB VAL 29 HB VAL 29 7.323 6.824 21.910
166 1HG1 VAL 29 HG11 VAL 29 5.483 7.853 19.727
167 2HG1 VAL 29 HG12 VAL 29 6.359 6.323 19.692
168 3HG1 VAL 29 HG13 VAL 29 7.246 7.847 19.665
169 1HG2 VAL 29 HG21 VAL 29 6.892 8.805 23.078
170 2HG2 VAL 29 HG22 VAL 29 5.433 9.151 22.150
171 3HG2 VAL 29 HG23 VAL 29 7.021 9.393 21.420
172 H SER 30 HN SER 30 4.341 5.502 20.022
173 HA SER 30 HA SER 30 5.022 2.767 20.976
174 1HB SER 30 HB2 SER 30 3.095 3.579 18.790
175 2HB SER 30 HB1 SER 30 3.329 1.952 19.421
176 HG SER 30 HG SER 30 2.127 4.200 20.603
177 H TYR 31 HN TYR 31 6.250 1.404 19.628
178 HA TYR 31 HA TYR 31 7.257 2.549 17.076
179 1HB TYR 31 HB2 TYR 31 8.932 1.227 19.228
180 2HB TYR 31 HB1 TYR 31 9.522 1.764 17.663
181 HD1 TYR 31 HD1 TYR 31 8.092 2.895 20.891
182 HD2 TYR 31 HD2 TYR 31 9.988 4.081 17.224
183 HE1 TYR 31 HE1 TYR 31 8.443 5.172 21.810
184 HE2 TYR 31 HE2 TYR 31 10.339 6.358 18.143
185 HH TYR 31 HH TYR 31 9.957 7.089 21.437
186 H CYS 32 HN CYS 32 8.148 0.858 15.651
187 HA CYS 32 HA CYS 32 6.651 -1.666 15.906
188 1HB CYS 32 HB2 CYS 32 8.542 -0.756 13.735
189 2HB CYS 32 HB1 CYS 32 7.489 -2.160 13.659
190 H ARG 33 HN ARG 33 7.732 -3.706 15.958
191 HA ARG 33 HA ARG 33 10.637 -3.771 16.351
192 1HB ARG 33 HB2 ARG 33 8.860 -3.642 18.569
193 2HB ARG 33 HB1 ARG 33 9.405 -5.316 18.475
194 1HG ARG 33 HG2 ARG 33 11.015 -4.190 19.822
195 2HG ARG 33 HG1 ARG 33 11.770 -4.372 18.239
196 1HD ARG 33 HD2 ARG 33 11.833 -2.136 17.892
197 2HD ARG 33 HD1 ARG 33 10.184 -1.920 18.474
198 HE ARG 33 HE ARG 33 11.588 -2.378 20.789
199 1HH1 ARG 33 HH21 ARG 33 12.008 -0.171 18.110
200 2HH1 ARG 33 HH22 ARG 33 12.771 1.031 19.090
201 1HH2 ARG 33 HH11 ARG 33 12.575 -0.793 22.021
202 2HH2 ARG 33 HH12 ARG 33 13.089 0.685 21.280
203 H LYS 34 HN LYS 34 11.358 -5.649 15.411
204 HA LYS 34 HA LYS 34 9.662 -7.332 13.925
205 1HB LYS 34 HB2 LYS 34 12.487 -7.390 14.779
206 2HB LYS 34 HB1 LYS 34 11.806 -8.987 14.471
207 1HG LYS 34 HG2 LYS 34 11.651 -6.652 12.543
208 2HG LYS 34 HG1 LYS 34 12.818 -7.969 12.431
209 1HD LYS 34 HD2 LYS 34 10.549 -9.416 12.622
210 2HD LYS 34 HD1 LYS 34 9.901 -7.970 11.847
211 1HE LYS 34 HE2 LYS 34 10.581 -9.054 9.945
212 2HE LYS 34 HE1 LYS 34 12.125 -8.307 10.355
213 1HZ LYS 34 HZ1 LYS 34 12.719 -10.322 11.569
214 2HZ LYS 34 HZ2 LYS 34 12.404 -10.655 9.933
215 3HZ LYS 34 HZ3 LYS 34 11.250 -11.040 11.119
216 H ASP 35 HN ASP 35 8.843 -9.429 14.278
217 HA ASP 35 HA ASP 35 7.732 -9.941 16.840
218 1HB ASP 35 HB2 ASP 35 8.122 -11.698 14.410
219 2HB ASP 35 HB1 ASP 35 7.298 -12.269 15.862
220 H GLU 36 HN GLU 36 8.204 -11.745 18.303
221 HA GLU 36 HA GLU 36 10.971 -12.827 18.116
222 1HB GLU 36 HB2 GLU 36 9.820 -11.112 20.286
223 2HB GLU 36 HB1 GLU 36 10.936 -12.401 20.739
224 1HG GLU 36 HG2 GLU 36 11.567 -10.395 18.565
225 2HG GLU 36 HG1 GLU 36 12.005 -10.135 20.254
226 HA PRO 37 HA PRO 37 7.982 -16.109 19.407
227 1HB PRO 37 HB2 PRO 37 8.563 -17.840 17.378
228 2HB PRO 37 HB1 PRO 37 7.369 -16.543 17.233
229 1HG PRO 37 HG2 PRO 37 10.020 -16.779 15.996
230 2HG PRO 37 HG1 PRO 37 8.647 -15.766 15.531
231 1HD PRO 37 HD2 PRO 37 11.011 -14.978 16.975
232 2HD PRO 37 HD1 PRO 37 9.626 -13.965 16.511
Start of MODEL 16
1 1H ALA 1 HT1 ALA 1 -2.024 -1.236 -2.342
2 2H ALA 1 HT2 ALA 1 -2.272 0.149 -3.294
3 3H ALA 1 HT3 ALA 1 -3.158 -0.070 -1.861
4 HA ALA 1 HA ALA 1 -0.943 -0.057 -0.660
5 1HB ALA 1 HB1 ALA 1 -0.147 1.200 -3.305
6 2HB ALA 1 HB2 ALA 1 0.414 -0.364 -2.714
7 3HB ALA 1 HB3 ALA 1 0.858 1.113 -1.858
8 H ILE 2 HN ILE 2 -0.281 2.089 0.224
9 HA ILE 2 HA ILE 2 -2.541 3.882 0.372
10 HB ILE 2 HB ILE 2 -1.002 3.545 2.268
11 1HG1 ILE 2 HG12 ILE 2 -0.550 6.007 2.748
12 2HG1 ILE 2 HG11 ILE 2 -1.154 6.344 1.125
13 1HG2 ILE 2 HG21 ILE 2 1.092 5.263 1.037
14 2HG2 ILE 2 HG22 ILE 2 1.009 3.594 0.474
15 3HG2 ILE 2 HG23 ILE 2 1.258 3.935 2.186
16 1HD1 ILE 2 HD11 ILE 2 -2.816 6.408 3.160
17 2HD1 ILE 2 HD12 ILE 2 -2.792 4.653 2.991
18 3HD1 ILE 2 HD13 ILE 2 -3.325 5.661 1.646
19 H CYS 3 HN CYS 3 -2.729 5.991 -0.470
20 HA CYS 3 HA CYS 3 -0.778 6.688 -2.618
21 1HB CYS 3 HB2 CYS 3 -2.720 7.739 -3.787
22 2HB CYS 3 HB1 CYS 3 -2.866 5.993 -3.637
23 H THR 4 HN THR 4 -1.077 9.150 -3.179
24 HA THR 4 HA THR 4 -0.627 10.618 -0.689
25 HB THR 4 HB THR 4 -0.664 11.568 -3.574
26 HG1 THR 4 HG1 THR 4 1.446 10.844 -1.828
27 1HG2 THR 4 HG21 THR 4 -1.003 13.318 -1.737
28 2HG2 THR 4 HG22 THR 4 0.383 13.571 -2.798
29 3HG2 THR 4 HG23 THR 4 0.620 12.904 -1.183
30 H GLY 5 HN GLY 5 -2.633 11.652 -3.472
31 1HA GLY 5 HA2 GLY 5 -5.172 11.669 -2.852
32 2HA GLY 5 HA1 GLY 5 -4.624 12.671 -1.511
33 H ALA 6 HN ALA 6 -6.356 13.225 -3.931
34 HA ALA 6 HA ALA 6 -5.116 14.896 -5.818
35 1HB ALA 6 HB1 ALA 6 -7.675 15.989 -4.925
36 2HB ALA 6 HB2 ALA 6 -7.740 14.244 -5.162
37 3HB ALA 6 HB3 ALA 6 -7.232 15.293 -6.484
38 H ASP 7 HN ASP 7 -5.288 17.304 -5.918
39 HA ASP 7 HA ASP 7 -4.493 19.357 -5.129
40 1HB ASP 7 HB2 ASP 7 -6.591 18.431 -3.236
41 2HB ASP 7 HB1 ASP 7 -5.638 19.832 -2.758
42 H ARG 8 HN ARG 8 -2.928 16.884 -4.289
43 HA ARG 8 HA ARG 8 -1.477 18.181 -2.017
44 1HB ARG 8 HB2 ARG 8 -2.855 15.699 -1.942
45 2HB ARG 8 HB1 ARG 8 -1.137 15.310 -1.961
46 1HG ARG 8 HG2 ARG 8 -1.224 17.401 -0.174
47 2HG ARG 8 HG1 ARG 8 -2.759 16.595 0.141
48 1HD ARG 8 HD2 ARG 8 -0.868 14.518 -0.113
49 2HD ARG 8 HD1 ARG 8 -0.083 15.757 0.867
50 HE ARG 8 HE ARG 8 -2.283 14.086 1.708
51 1HH1 ARG 8 HH21 ARG 8 -0.931 17.298 2.007
52 2HH1 ARG 8 HH22 ARG 8 -1.646 17.563 3.559
53 1HH2 ARG 8 HH11 ARG 8 -3.189 14.471 3.717
54 2HH2 ARG 8 HH12 ARG 8 -2.911 15.982 4.518
55 HA PRO 9 HA PRO 9 2.108 17.613 -4.562
56 1HB PRO 9 HB2 PRO 9 4.063 17.279 -2.685
57 2HB PRO 9 HB1 PRO 9 3.282 18.833 -3.015
58 1HG PRO 9 HG2 PRO 9 2.903 16.977 -0.732
59 2HG PRO 9 HG1 PRO 9 2.762 18.740 -0.791
60 1HD PRO 9 HD2 PRO 9 0.616 16.943 -0.790
61 2HD PRO 9 HD1 PRO 9 0.531 18.648 -1.278
62 H CYS 10 HN CYS 10 2.752 15.847 -5.729
63 HA CYS 10 HA CYS 10 2.270 13.160 -5.037
64 1HB CYS 10 HB2 CYS 10 4.393 14.278 -6.898
65 2HB CYS 10 HB1 CYS 10 3.878 12.592 -6.855
66 H ALA 11 HN ALA 11 4.100 11.453 -4.811
67 HA ALA 11 HA ALA 11 6.257 12.480 -3.013
68 1HB ALA 11 HB1 ALA 11 4.375 10.157 -2.554
69 2HB ALA 11 HB2 ALA 11 4.660 11.547 -1.506
70 3HB ALA 11 HB3 ALA 11 5.906 10.314 -1.693
71 H ALA 12 HN ALA 12 8.142 11.065 -2.911
72 HA ALA 12 HA ALA 12 9.108 10.148 -5.381
73 1HB ALA 12 HB1 ALA 12 10.593 10.566 -3.494
74 2HB ALA 12 HB2 ALA 12 10.816 8.907 -4.050
75 3HB ALA 12 HB3 ALA 12 9.873 9.231 -2.595
76 H CYS 13 HN CYS 13 8.242 7.932 -2.699
77 HA CYS 13 HA CYS 13 8.215 5.545 -4.164
78 1HB CYS 13 HB2 CYS 13 6.615 4.699 -2.432
79 2HB CYS 13 HB1 CYS 13 8.011 5.528 -1.746
80 H CYS 14 HN CYS 14 5.651 8.020 -4.071
81 HA CYS 14 HA CYS 14 3.769 5.768 -4.558
82 1HB CYS 14 HB2 CYS 14 3.579 8.144 -2.699
83 2HB CYS 14 HB1 CYS 14 2.296 6.958 -2.926
84 HA PRO 15 HA PRO 15 2.001 8.481 -7.663
85 1HB PRO 15 HB2 PRO 15 -0.018 6.824 -8.448
86 2HB PRO 15 HB1 PRO 15 1.671 6.577 -8.915
87 1HG PRO 15 HG2 PRO 15 0.012 5.054 -7.023
88 2HG PRO 15 HG1 PRO 15 1.476 4.565 -7.887
89 1HD PRO 15 HD2 PRO 15 1.263 5.384 -5.149
90 2HD PRO 15 HD1 PRO 15 2.741 4.977 -6.048
91 H CYS 16 HN CYS 16 -0.259 9.396 -8.147
92 HA CYS 16 HA CYS 16 -1.463 10.331 -5.688
93 1HB CYS 16 HB2 CYS 16 -2.571 10.544 -8.500
94 2HB CYS 16 HB1 CYS 16 -3.013 11.540 -7.117
95 H CYS 17 HN CYS 17 -3.741 9.993 -5.100
96 HA CYS 17 HA CYS 17 -4.511 7.274 -4.890
97 1HB CYS 17 HB2 CYS 17 -6.094 9.843 -4.680
98 2HB CYS 17 HB1 CYS 17 -6.730 8.284 -4.206
99 HA PRO 18 HA PRO 18 -6.609 6.327 -8.685
100 1HB PRO 18 HB2 PRO 18 -8.926 5.115 -7.855
101 2HB PRO 18 HB1 PRO 18 -7.338 4.333 -7.807
102 1HG PRO 18 HG2 PRO 18 -8.907 5.567 -5.591
103 2HG PRO 18 HG1 PRO 18 -7.875 4.128 -5.578
104 1HD PRO 18 HD2 PRO 18 -7.080 6.555 -4.588
105 2HD PRO 18 HD1 PRO 18 -5.949 5.353 -5.223
106 H GLY 19 HN GLY 19 -7.527 7.830 -9.969
107 1HA GLY 19 HA2 GLY 19 -9.644 8.980 -10.651
108 2HA GLY 19 HA1 GLY 19 -9.870 9.391 -8.945
109 H THR 20 HN THR 20 -7.168 9.977 -8.375
110 HA THR 20 HA THR 20 -6.872 12.620 -9.715
111 HB THR 20 HB THR 20 -5.486 13.225 -7.803
112 HG1 THR 20 HG1 THR 20 -5.740 10.493 -7.072
113 1HG2 THR 20 HG21 THR 20 -8.031 11.749 -7.149
114 2HG2 THR 20 HG22 THR 20 -7.740 13.486 -7.185
115 3HG2 THR 20 HG23 THR 20 -7.079 12.509 -5.876
116 H SER 21 HN SER 21 -4.691 13.219 -10.459
117 HA SER 21 HA SER 21 -2.877 10.883 -10.897
118 1HB SER 21 HB2 SER 21 -2.516 12.300 -13.209
119 2HB SER 21 HB1 SER 21 -3.567 10.899 -13.057
120 HG SER 21 HG SER 21 -4.512 12.890 -13.955
121 H CYS 22 HN CYS 22 -0.637 11.534 -11.453
122 HA CYS 22 HA CYS 22 0.109 13.978 -9.960
123 1HB CYS 22 HB2 CYS 22 1.258 11.758 -9.573
124 2HB CYS 22 HB1 CYS 22 1.967 11.922 -11.176
125 H LYS 23 HN LYS 23 0.790 15.768 -10.941
126 HA LYS 23 HA LYS 23 1.710 15.681 -13.760
127 1HB LYS 23 HB2 LYS 23 0.256 17.646 -14.292
128 2HB LYS 23 HB1 LYS 23 -0.667 16.189 -13.925
129 1HG LYS 23 HG2 LYS 23 -0.456 17.243 -11.434
130 2HG LYS 23 HG1 LYS 23 -0.443 18.722 -12.393
131 1HD LYS 23 HD2 LYS 23 -2.729 18.412 -12.101
132 2HD LYS 23 HD1 LYS 23 -2.473 17.573 -13.631
133 1HE LYS 23 HE2 LYS 23 -2.227 16.087 -11.022
134 2HE LYS 23 HE1 LYS 23 -3.811 16.353 -11.750
135 1HZ LYS 23 HZ1 LYS 23 -3.218 14.393 -12.721
136 2HZ LYS 23 HZ2 LYS 23 -1.558 14.752 -12.729
137 3HZ LYS 23 HZ3 LYS 23 -2.592 15.473 -13.869
138 H ALA 24 HN ALA 24 3.568 16.844 -13.916
139 HA ALA 24 HA ALA 24 4.588 18.399 -11.711
140 1HB ALA 24 HB1 ALA 24 5.619 18.770 -14.503
141 2HB ALA 24 HB2 ALA 24 5.822 17.200 -13.726
142 3HB ALA 24 HB3 ALA 24 6.516 18.644 -12.990
143 H GLU 25 HN GLU 25 5.219 20.760 -11.980
144 HA GLU 25 HA GLU 25 3.245 22.246 -13.606
145 1HB GLU 25 HB2 GLU 25 2.929 22.015 -10.942
146 2HB GLU 25 HB1 GLU 25 4.013 23.404 -10.981
147 1HG GLU 25 HG2 GLU 25 2.457 24.763 -11.969
148 2HG GLU 25 HG1 GLU 25 1.762 23.450 -12.919
149 H SER 26 HN SER 26 3.934 24.727 -13.363
150 HA SER 26 HA SER 26 6.530 24.933 -14.625
151 1HB SER 26 HB2 SER 26 4.234 26.523 -14.470
152 2HB SER 26 HB1 SER 26 5.465 27.464 -13.637
153 HG SER 26 HG SER 26 5.148 27.217 -16.210
154 H ASN 27 HN ASN 27 5.296 25.487 -11.373
155 HA ASN 27 HA ASN 27 7.477 26.943 -10.304
156 1HB ASN 27 HB2 ASN 27 6.755 25.960 -8.102
157 2HB ASN 27 HB1 ASN 27 5.449 26.709 -9.019
158 1HD2 ASN 27 HD21 ASN 27 3.817 25.315 -8.025
159 2HD2 ASN 27 HD22 ASN 27 3.705 23.669 -8.422
160 H GLY 28 HN GLY 28 7.335 23.660 -11.315
161 1HA GLY 28 HA2 GLY 28 9.438 22.444 -11.642
162 2HA GLY 28 HA1 GLY 28 10.063 23.237 -10.197
163 H VAL 29 HN VAL 29 7.319 22.717 -8.899
164 HA VAL 29 HA VAL 29 7.965 19.950 -8.028
165 HB VAL 29 HB VAL 29 6.072 21.953 -6.765
166 1HG1 VAL 29 HG11 VAL 29 6.340 20.480 -4.785
167 2HG1 VAL 29 HG12 VAL 29 7.343 19.393 -5.746
168 3HG1 VAL 29 HG13 VAL 29 5.641 19.614 -6.153
169 1HG2 VAL 29 HG21 VAL 29 8.486 22.701 -6.869
170 2HG2 VAL 29 HG22 VAL 29 8.908 21.262 -5.940
171 3HG2 VAL 29 HG23 VAL 29 7.863 22.494 -5.232
172 H SER 30 HN SER 30 6.306 18.361 -7.903
173 HA SER 30 HA SER 30 4.090 18.874 -9.819
174 1HB SER 30 HB2 SER 30 5.171 16.209 -8.885
175 2HB SER 30 HB1 SER 30 4.038 16.482 -10.204
176 HG SER 30 HG SER 30 5.815 16.560 -11.342
177 H TYR 31 HN TYR 31 1.958 18.370 -9.222
178 HA TYR 31 HA TYR 31 1.492 17.429 -6.442
179 1HB TYR 31 HB2 TYR 31 0.150 19.784 -7.793
180 2HB TYR 31 HB1 TYR 31 -0.307 19.125 -6.232
181 HD1 TYR 31 HD1 TYR 31 2.366 20.872 -8.101
182 HD2 TYR 31 HD2 TYR 31 1.002 19.549 -4.249
183 HE1 TYR 31 HE1 TYR 31 4.111 22.255 -7.009
184 HE2 TYR 31 HE2 TYR 31 2.747 20.933 -3.156
185 HH TYR 31 HH TYR 31 4.106 23.275 -4.121
186 H CYS 32 HN CYS 32 -0.714 16.557 -6.182
187 HA CYS 32 HA CYS 32 -1.618 15.223 -8.652
188 1HB CYS 32 HB2 CYS 32 -2.622 14.923 -5.822
189 2HB CYS 32 HB1 CYS 32 -3.072 13.908 -7.182
190 H ARG 33 HN ARG 33 -3.807 15.374 -9.358
191 HA ARG 33 HA ARG 33 -5.522 17.460 -8.190
192 1HB ARG 33 HB2 ARG 33 -3.905 17.922 -10.507
193 2HB ARG 33 HB1 ARG 33 -5.570 17.764 -11.063
194 1HG ARG 33 HG2 ARG 33 -5.175 20.087 -10.522
195 2HG ARG 33 HG1 ARG 33 -6.239 19.414 -9.288
196 1HD ARG 33 HD2 ARG 33 -4.688 19.654 -7.647
197 2HD ARG 33 HD1 ARG 33 -3.368 19.131 -8.691
198 HE ARG 33 HE ARG 33 -3.931 21.618 -9.677
199 1HH1 ARG 33 HH21 ARG 33 -3.336 20.421 -6.444
200 2HH1 ARG 33 HH22 ARG 33 -2.674 21.923 -5.905
201 1HH2 ARG 33 HH11 ARG 33 -3.060 23.537 -8.937
202 2HH2 ARG 33 HH12 ARG 33 -2.516 23.668 -7.298
203 H LYS 34 HN LYS 34 -7.552 16.584 -8.150
204 HA LYS 34 HA LYS 34 -8.130 13.981 -9.056
205 1HB LYS 34 HB2 LYS 34 -10.539 14.611 -8.760
206 2HB LYS 34 HB1 LYS 34 -9.528 15.061 -7.387
207 1HG LYS 34 HG2 LYS 34 -9.351 17.285 -9.040
208 2HG LYS 34 HG1 LYS 34 -11.027 16.774 -9.243
209 1HD LYS 34 HD2 LYS 34 -9.935 16.827 -6.467
210 2HD LYS 34 HD1 LYS 34 -10.281 18.376 -7.236
211 1HE LYS 34 HE2 LYS 34 -12.357 17.919 -6.315
212 2HE LYS 34 HE1 LYS 34 -12.548 17.153 -7.892
213 1HZ LYS 34 HZ1 LYS 34 -11.425 15.614 -5.652
214 2HZ LYS 34 HZ2 LYS 34 -12.277 15.065 -7.016
215 3HZ LYS 34 HZ3 LYS 34 -13.103 15.839 -5.750
216 H ASP 35 HN ASP 35 -7.620 13.578 -11.186
217 HA ASP 35 HA ASP 35 -8.573 15.301 -13.322
218 1HB ASP 35 HB2 ASP 35 -6.908 12.838 -13.129
219 2HB ASP 35 HB1 ASP 35 -7.709 13.162 -14.667
220 H GLU 36 HN GLU 36 -9.633 13.926 -15.263
221 HA GLU 36 HA GLU 36 -11.730 12.123 -14.160
222 1HB GLU 36 HB2 GLU 36 -12.233 14.543 -15.922
223 2HB GLU 36 HB1 GLU 36 -13.445 13.328 -15.515
224 1HG GLU 36 HG2 GLU 36 -12.583 13.917 -13.032
225 2HG GLU 36 HG1 GLU 36 -12.259 15.464 -13.816
226 HA PRO 37 HA PRO 37 -9.994 10.549 -18.169
227 1HB PRO 37 HB2 PRO 37 -8.953 8.231 -17.176
228 2HB PRO 37 HB1 PRO 37 -8.066 9.761 -17.193
229 1HG PRO 37 HG2 PRO 37 -9.211 8.300 -14.920
230 2HG PRO 37 HG1 PRO 37 -7.956 9.545 -14.940
231 1HD PRO 37 HD2 PRO 37 -10.735 9.854 -14.253
232 2HD PRO 37 HD1 PRO 37 -9.472 11.104 -14.283
Start of MODEL 17
1 1H ALA 1 HT1 ALA 1 3.289 -2.810 -0.495
2 2H ALA 1 HT2 ALA 1 3.069 -1.980 -1.962
3 3H ALA 1 HT3 ALA 1 1.822 -2.950 -1.336
4 HA ALA 1 HA ALA 1 1.671 -0.411 -1.049
5 1HB ALA 1 HB1 ALA 1 0.171 -2.077 0.018
6 2HB ALA 1 HB2 ALA 1 0.533 -0.735 1.105
7 3HB ALA 1 HB3 ALA 1 1.348 -2.286 1.315
8 H ILE 2 HN ILE 2 2.157 1.198 0.684
9 HA ILE 2 HA ILE 2 4.971 1.444 1.144
10 HB ILE 2 HB ILE 2 2.721 2.841 2.621
11 1HG1 ILE 2 HG12 ILE 2 4.144 4.137 0.351
12 2HG1 ILE 2 HG11 ILE 2 3.006 2.859 -0.072
13 1HG2 ILE 2 HG21 ILE 2 4.330 4.527 3.138
14 2HG2 ILE 2 HG22 ILE 2 5.512 3.840 2.023
15 3HG2 ILE 2 HG23 ILE 2 5.109 2.990 3.516
16 1HD1 ILE 2 HD11 ILE 2 1.488 4.181 1.706
17 2HD1 ILE 2 HD12 ILE 2 1.523 4.614 -0.003
18 3HD1 ILE 2 HD13 ILE 2 2.492 5.523 1.156
19 H CYS 3 HN CYS 3 6.224 0.839 2.883
20 HA CYS 3 HA CYS 3 4.834 -0.428 5.196
21 1HB CYS 3 HB2 CYS 3 6.783 -1.982 5.308
22 2HB CYS 3 HB1 CYS 3 5.816 -2.190 3.856
23 H THR 4 HN THR 4 6.705 -0.768 6.977
24 HA THR 4 HA THR 4 7.684 1.961 7.548
25 HB THR 4 HB THR 4 7.759 -0.549 9.257
26 HG1 THR 4 HG1 THR 4 5.962 1.644 9.227
27 1HG2 THR 4 HG21 THR 4 9.356 1.439 9.730
28 2HG2 THR 4 HG22 THR 4 8.362 0.848 11.061
29 3HG2 THR 4 HG23 THR 4 7.897 2.313 10.197
30 H GLY 5 HN GLY 5 9.162 -1.264 8.040
31 1HA GLY 5 HA2 GLY 5 11.243 -1.644 6.550
32 2HA GLY 5 HA1 GLY 5 11.764 -0.086 7.188
33 H ALA 6 HN ALA 6 12.802 -2.932 7.497
34 HA ALA 6 HA ALA 6 12.438 -3.948 10.088
35 1HB ALA 6 HB1 ALA 6 14.098 -5.359 9.511
36 2HB ALA 6 HB2 ALA 6 15.245 -4.042 9.268
37 3HB ALA 6 HB3 ALA 6 14.145 -4.504 7.971
38 H ASP 7 HN ASP 7 13.957 -3.814 11.934
39 HA ASP 7 HA ASP 7 14.864 -2.550 13.676
40 1HB ASP 7 HB2 ASP 7 16.339 -1.797 11.207
41 2HB ASP 7 HB1 ASP 7 16.619 -0.815 12.641
42 H ARG 8 HN ARG 8 12.400 -1.441 12.270
43 HA ARG 8 HA ARG 8 12.683 1.356 13.290
44 1HB ARG 8 HB2 ARG 8 12.242 0.586 10.598
45 2HB ARG 8 HB1 ARG 8 10.693 1.181 11.189
46 1HG ARG 8 HG2 ARG 8 11.423 3.320 11.205
47 2HG ARG 8 HG1 ARG 8 12.902 2.885 12.058
48 1HD ARG 8 HD2 ARG 8 13.883 2.104 9.911
49 2HD ARG 8 HD1 ARG 8 12.419 2.621 9.076
50 HE ARG 8 HE ARG 8 13.325 4.864 10.504
51 1HH1 ARG 8 HH21 ARG 8 14.519 2.763 7.975
52 2HH1 ARG 8 HH22 ARG 8 15.484 4.007 7.260
53 1HH2 ARG 8 HH11 ARG 8 14.589 6.442 9.546
54 2HH2 ARG 8 HH12 ARG 8 15.525 6.068 8.138
55 HA PRO 9 HA PRO 9 9.012 0.414 15.590
56 1HB PRO 9 HB2 PRO 9 7.846 2.875 15.774
57 2HB PRO 9 HB1 PRO 9 9.298 2.414 16.673
58 1HG PRO 9 HG2 PRO 9 9.029 4.159 14.291
59 2HG PRO 9 HG1 PRO 9 10.210 4.218 15.608
60 1HD PRO 9 HD2 PRO 9 10.683 3.181 13.052
61 2HD PRO 9 HD1 PRO 9 11.678 2.873 14.489
62 H CYS 10 HN CYS 10 7.143 -0.568 14.931
63 HA CYS 10 HA CYS 10 6.010 -0.366 12.354
64 1HB CYS 10 HB2 CYS 10 4.661 -1.164 14.955
65 2HB CYS 10 HB1 CYS 10 4.021 -1.486 13.343
66 H ALA 11 HN ALA 11 3.630 0.386 11.979
67 HA ALA 11 HA ALA 11 3.014 2.874 13.489
68 1HB ALA 11 HB1 ALA 11 2.995 4.259 11.605
69 2HB ALA 11 HB2 ALA 11 2.867 2.901 10.487
70 3HB ALA 11 HB3 ALA 11 4.398 3.237 11.294
71 H ALA 12 HN ALA 12 0.795 3.609 13.146
72 HA ALA 12 HA ALA 12 -1.171 1.612 13.291
73 1HB ALA 12 HB1 ALA 12 -1.249 4.539 12.634
74 2HB ALA 12 HB2 ALA 12 -1.886 3.697 14.047
75 3HB ALA 12 HB3 ALA 12 -2.723 3.580 12.499
76 H CYS 13 HN CYS 13 -0.842 3.807 10.475
77 HA CYS 13 HA CYS 13 -2.489 2.415 8.693
78 1HB CYS 13 HB2 CYS 13 -1.140 3.475 6.876
79 2HB CYS 13 HB1 CYS 13 -1.593 4.610 8.145
80 H CYS 14 HN CYS 14 0.838 1.612 9.594
81 HA CYS 14 HA CYS 14 1.100 0.362 6.906
82 1HB CYS 14 HB2 CYS 14 3.012 2.132 8.439
83 2HB CYS 14 HB1 CYS 14 3.352 1.411 6.868
84 HA PRO 15 HA PRO 15 2.836 -2.973 9.396
85 1HB PRO 15 HB2 PRO 15 2.906 -4.833 7.401
86 2HB PRO 15 HB1 PRO 15 1.428 -4.404 8.276
87 1HG PRO 15 HG2 PRO 15 2.221 -3.763 5.516
88 2HG PRO 15 HG1 PRO 15 0.609 -3.827 6.242
89 1HD PRO 15 HD2 PRO 15 2.162 -1.493 5.678
90 2HD PRO 15 HD1 PRO 15 0.596 -1.571 6.513
91 H CYS 16 HN CYS 16 4.811 -4.448 9.130
92 HA CYS 16 HA CYS 16 7.089 -2.882 8.332
93 1HB CYS 16 HB2 CYS 16 7.020 -5.869 8.831
94 2HB CYS 16 HB1 CYS 16 8.423 -4.811 8.932
95 H CYS 17 HN CYS 17 8.573 -3.335 6.604
96 HA CYS 17 HA CYS 17 7.433 -3.759 4.044
97 1HB CYS 17 HB2 CYS 17 10.297 -4.040 4.991
98 2HB CYS 17 HB1 CYS 17 9.811 -3.871 3.316
99 HA PRO 18 HA PRO 18 7.329 -8.163 3.492
100 1HB PRO 18 HB2 PRO 18 8.395 -8.516 0.991
101 2HB PRO 18 HB1 PRO 18 6.767 -7.883 1.281
102 1HG PRO 18 HG2 PRO 18 9.262 -6.423 0.551
103 2HG PRO 18 HG1 PRO 18 7.591 -6.124 0.046
104 1HD PRO 18 HD2 PRO 18 8.866 -4.645 1.966
105 2HD PRO 18 HD1 PRO 18 7.110 -4.866 1.920
106 H GLY 19 HN GLY 19 8.680 -9.302 4.777
107 1HA GLY 19 HA2 GLY 19 10.765 -10.781 4.565
108 2HA GLY 19 HA1 GLY 19 11.618 -9.272 4.211
109 H THR 20 HN THR 20 10.200 -7.619 5.978
110 HA THR 20 HA THR 20 11.310 -8.488 8.597
111 HB THR 20 HB THR 20 11.111 -6.118 9.219
112 HG1 THR 20 HG1 THR 20 10.038 -5.733 6.621
113 1HG2 THR 20 HG21 THR 20 13.154 -6.448 8.134
114 2HG2 THR 20 HG22 THR 20 12.444 -5.143 7.184
115 3HG2 THR 20 HG23 THR 20 12.387 -6.800 6.586
116 H SER 21 HN SER 21 9.909 -8.283 10.500
117 HA SER 21 HA SER 21 6.993 -8.178 9.848
118 1HB SER 21 HB2 SER 21 7.717 -10.063 11.992
119 2HB SER 21 HB1 SER 21 6.569 -10.242 10.674
120 HG SER 21 HG SER 21 9.293 -10.829 10.788
121 H CYS 22 HN CYS 22 5.624 -7.460 11.559
122 HA CYS 22 HA CYS 22 6.949 -5.667 13.459
123 1HB CYS 22 HB2 CYS 22 4.788 -5.130 12.227
124 2HB CYS 22 HB1 CYS 22 3.991 -6.280 13.293
125 H LYS 23 HN LYS 23 7.290 -6.098 15.538
126 HA LYS 23 HA LYS 23 5.871 -8.340 16.862
127 1HB LYS 23 HB2 LYS 23 8.065 -9.129 17.816
128 2HB LYS 23 HB1 LYS 23 7.913 -9.378 16.077
129 1HG LYS 23 HG2 LYS 23 9.047 -6.990 15.948
130 2HG LYS 23 HG1 LYS 23 9.611 -7.405 17.566
131 1HD LYS 23 HD2 LYS 23 11.326 -8.311 16.305
132 2HD LYS 23 HD1 LYS 23 10.242 -9.700 16.385
133 1HE LYS 23 HE2 LYS 23 10.029 -7.683 14.148
134 2HE LYS 23 HE1 LYS 23 11.161 -9.032 14.057
135 1HZ LYS 23 HZ1 LYS 23 9.335 -9.983 13.134
136 2HZ LYS 23 HZ2 LYS 23 8.235 -9.054 14.036
137 3HZ LYS 23 HZ3 LYS 23 9.033 -10.371 14.756
138 H ALA 24 HN ALA 24 5.141 -7.639 18.806
139 HA ALA 24 HA ALA 24 5.885 -5.051 19.859
140 1HB ALA 24 HB1 ALA 24 4.614 -6.176 21.946
141 2HB ALA 24 HB2 ALA 24 4.085 -7.282 20.678
142 3HB ALA 24 HB3 ALA 24 3.745 -5.557 20.542
143 H GLU 25 HN GLU 25 6.768 -4.784 22.121
144 HA GLU 25 HA GLU 25 8.703 -6.913 22.804
145 1HB GLU 25 HB2 GLU 25 9.167 -4.104 22.098
146 2HB GLU 25 HB1 GLU 25 9.913 -4.562 23.627
147 1HG GLU 25 HG2 GLU 25 10.237 -6.117 21.045
148 2HG GLU 25 HG1 GLU 25 11.404 -4.938 21.646
149 H SER 26 HN SER 26 9.643 -6.283 25.103
150 HA SER 26 HA SER 26 7.416 -6.380 26.944
151 1HB SER 26 HB2 SER 26 10.120 -7.065 27.033
152 2HB SER 26 HB1 SER 26 9.988 -5.729 28.173
153 HG SER 26 HG SER 26 8.877 -8.274 28.235
154 H ASN 27 HN ASN 27 9.655 -3.867 25.883
155 HA ASN 27 HA ASN 27 9.126 -1.920 27.863
156 1HB ASN 27 HB2 ASN 27 9.724 -0.258 26.031
157 2HB ASN 27 HB1 ASN 27 10.923 -1.510 26.344
158 1HD2 ASN 27 HD21 ASN 27 11.716 -2.410 24.446
159 2HD2 ASN 27 HD22 ASN 27 10.836 -2.595 23.006
160 H GLY 28 HN GLY 28 7.071 -3.090 25.363
161 1HA GLY 28 HA2 GLY 28 4.660 -2.635 25.566
162 2HA GLY 28 HA1 GLY 28 5.070 -1.007 26.098
163 H VAL 29 HN VAL 29 7.219 -1.029 23.859
164 HA VAL 29 HA VAL 29 5.346 -0.132 21.731
165 HB VAL 29 HB VAL 29 8.333 0.322 21.971
166 1HG1 VAL 29 HG11 VAL 29 7.546 2.309 20.432
167 2HG1 VAL 29 HG12 VAL 29 6.172 1.254 20.102
168 3HG1 VAL 29 HG13 VAL 29 7.809 0.713 19.730
169 1HG2 VAL 29 HG21 VAL 29 5.998 2.109 22.728
170 2HG2 VAL 29 HG22 VAL 29 7.693 2.596 22.735
171 3HG2 VAL 29 HG23 VAL 29 7.127 1.354 23.853
172 H SER 30 HN SER 30 5.602 -0.840 19.575
173 HA SER 30 HA SER 30 7.028 -3.444 19.358
174 1HB SER 30 HB2 SER 30 4.763 -2.408 17.644
175 2HB SER 30 HB1 SER 30 5.436 -4.034 17.623
176 HG SER 30 HG SER 30 3.535 -3.010 19.204
177 H TYR 31 HN TYR 31 8.445 -3.778 17.628
178 HA TYR 31 HA TYR 31 8.834 -1.556 15.694
179 1HB TYR 31 HB2 TYR 31 11.038 -3.009 17.180
180 2HB TYR 31 HB1 TYR 31 11.267 -1.785 15.944
181 HD1 TYR 31 HD1 TYR 31 10.002 -2.400 19.373
182 HD2 TYR 31 HD2 TYR 31 11.022 0.556 16.429
183 HE1 TYR 31 HE1 TYR 31 9.852 -0.628 21.101
184 HE2 TYR 31 HE2 TYR 31 10.869 2.329 18.156
185 HH TYR 31 HH TYR 31 9.510 1.763 21.256
186 H CYS 32 HN CYS 32 9.938 -2.296 13.725
187 HA CYS 32 HA CYS 32 9.225 -5.069 13.052
188 1HB CYS 32 HB2 CYS 32 10.546 -2.946 11.360
189 2HB CYS 32 HB1 CYS 32 9.932 -4.484 10.777
190 H ARG 33 HN ARG 33 10.813 -6.567 12.245
191 HA ARG 33 HA ARG 33 13.649 -5.935 12.613
192 1HB ARG 33 HB2 ARG 33 12.187 -7.168 14.702
193 2HB ARG 33 HB1 ARG 33 13.097 -8.468 13.932
194 1HG ARG 33 HG2 ARG 33 14.548 -7.567 15.591
195 2HG ARG 33 HG1 ARG 33 15.126 -6.920 14.055
196 1HD ARG 33 HD2 ARG 33 14.583 -4.785 14.614
197 2HD ARG 33 HD1 ARG 33 13.050 -5.272 15.332
198 HE ARG 33 HE ARG 33 15.490 -4.788 16.775
199 1HH1 ARG 33 HH21 ARG 33 12.702 -6.898 16.678
200 2HH1 ARG 33 HH22 ARG 33 12.781 -7.244 18.370
201 1HH2 ARG 33 HH11 ARG 33 15.555 -5.264 18.959
202 2HH2 ARG 33 HH12 ARG 33 14.377 -6.330 19.650
203 H LYS 34 HN LYS 34 14.749 -6.999 11.012
204 HA LYS 34 HA LYS 34 13.403 -8.418 8.976
205 1HB LYS 34 HB2 LYS 34 15.664 -7.334 8.779
206 2HB LYS 34 HB1 LYS 34 16.340 -8.671 9.706
207 1HG LYS 34 HG2 LYS 34 16.640 -9.671 7.701
208 2HG LYS 34 HG1 LYS 34 14.911 -9.996 7.758
209 1HD LYS 34 HD2 LYS 34 14.475 -7.870 6.572
210 2HD LYS 34 HD1 LYS 34 16.210 -7.563 6.498
211 1HE LYS 34 HE2 LYS 34 16.243 -9.990 5.414
212 2HE LYS 34 HE1 LYS 34 14.576 -9.579 5.009
213 1HZ LYS 34 HZ1 LYS 34 16.483 -8.933 3.406
214 2HZ LYS 34 HZ2 LYS 34 16.722 -7.640 4.481
215 3HZ LYS 34 HZ3 LYS 34 15.227 -7.831 3.696
216 H ASP 35 HN ASP 35 13.179 -10.614 8.519
217 HA ASP 35 HA ASP 35 12.766 -12.387 10.694
218 1HB ASP 35 HB2 ASP 35 12.970 -12.740 7.715
219 2HB ASP 35 HB1 ASP 35 12.859 -14.157 8.761
220 H GLU 36 HN GLU 36 13.914 -14.614 10.791
221 HA GLU 36 HA GLU 36 16.767 -14.570 10.069
222 1HB GLU 36 HB2 GLU 36 15.766 -14.338 12.903
223 2HB GLU 36 HB1 GLU 36 17.307 -15.125 12.557
224 1HG GLU 36 HG2 GLU 36 17.619 -12.903 11.065
225 2HG GLU 36 HG1 GLU 36 16.546 -12.259 12.309
226 HA PRO 37 HA PRO 37 14.963 -18.819 10.159
227 1HB PRO 37 HB2 PRO 37 15.576 -19.436 7.573
228 2HB PRO 37 HB1 PRO 37 14.098 -18.583 8.040
229 1HG PRO 37 HG2 PRO 37 16.469 -17.567 6.639
230 2HG PRO 37 HG1 PRO 37 14.832 -16.902 6.709
231 1HD PRO 37 HD2 PRO 37 17.148 -16.041 8.187
232 2HD PRO 37 HD1 PRO 37 15.498 -15.385 8.264
Start of MODEL 18
1 1H ALA 1 HT1 ALA 1 0.559 -1.711 -0.305
2 2H ALA 1 HT2 ALA 1 -0.851 -0.763 -0.302
3 3H ALA 1 HT3 ALA 1 0.061 -0.938 1.120
4 HA ALA 1 HA ALA 1 1.849 0.328 0.257
5 1HB ALA 1 HB1 ALA 1 0.268 0.187 -2.325
6 2HB ALA 1 HB2 ALA 1 1.868 -0.488 -2.019
7 3HB ALA 1 HB3 ALA 1 1.645 1.261 -2.081
8 H ILE 2 HN ILE 2 1.613 2.273 1.226
9 HA ILE 2 HA ILE 2 -1.006 3.498 1.541
10 HB ILE 2 HB ILE 2 1.729 4.638 2.192
11 1HG1 ILE 2 HG12 ILE 2 -0.124 3.304 4.157
12 2HG1 ILE 2 HG11 ILE 2 0.999 2.335 3.202
13 1HG2 ILE 2 HG21 ILE 2 0.154 5.730 4.014
14 2HG2 ILE 2 HG22 ILE 2 -1.100 5.408 2.817
15 3HG2 ILE 2 HG23 ILE 2 0.271 6.436 2.402
16 1HD1 ILE 2 HD11 ILE 2 2.780 4.080 3.997
17 2HD1 ILE 2 HD12 ILE 2 2.266 2.814 5.112
18 3HD1 ILE 2 HD13 ILE 2 1.604 4.441 5.261
19 H CYS 3 HN CYS 3 -1.837 5.259 0.440
20 HA CYS 3 HA CYS 3 -0.178 6.332 -1.797
21 1HB CYS 3 HB2 CYS 3 -2.359 6.790 -2.917
22 2HB CYS 3 HB1 CYS 3 -2.076 5.077 -2.649
23 H THR 4 HN THR 4 -1.297 8.569 -2.502
24 HA THR 4 HA THR 4 -1.143 10.274 -0.089
25 HB THR 4 HB THR 4 -1.307 11.049 -3.022
26 HG1 THR 4 HG1 THR 4 0.854 11.075 -2.979
27 1HG2 THR 4 HG21 THR 4 -1.958 12.714 -1.133
28 2HG2 THR 4 HG22 THR 4 -0.792 13.242 -2.345
29 3HG2 THR 4 HG23 THR 4 -0.235 12.718 -0.756
30 H GLY 5 HN GLY 5 -3.195 10.486 -3.015
31 1HA GLY 5 HA2 GLY 5 -5.691 10.021 -2.519
32 2HA GLY 5 HA1 GLY 5 -5.473 11.216 -1.241
33 H ALA 6 HN ALA 6 -7.114 11.211 -3.792
34 HA ALA 6 HA ALA 6 -6.118 12.970 -5.741
35 1HB ALA 6 HB1 ALA 6 -8.196 12.741 -6.556
36 2HB ALA 6 HB2 ALA 6 -8.876 13.632 -5.194
37 3HB ALA 6 HB3 ALA 6 -8.643 11.888 -5.080
38 H ASP 7 HN ASP 7 -6.787 15.275 -6.054
39 HA ASP 7 HA ASP 7 -6.501 17.501 -5.399
40 1HB ASP 7 HB2 ASP 7 -8.438 16.273 -3.507
41 2HB ASP 7 HB1 ASP 7 -7.831 17.876 -3.108
42 H ARG 8 HN ARG 8 -4.493 15.470 -4.310
43 HA ARG 8 HA ARG 8 -3.441 17.227 -2.132
44 1HB ARG 8 HB2 ARG 8 -4.294 14.525 -1.846
45 2HB ARG 8 HB1 ARG 8 -2.535 14.515 -1.754
46 1HG ARG 8 HG2 ARG 8 -3.210 16.716 -0.217
47 2HG ARG 8 HG1 ARG 8 -4.510 15.583 0.144
48 1HD ARG 8 HD2 ARG 8 -1.902 14.266 0.112
49 2HD ARG 8 HD1 ARG 8 -1.966 15.580 1.286
50 HE ARG 8 HE ARG 8 -4.325 13.920 1.457
51 1HH1 ARG 8 HH21 ARG 8 -0.945 14.094 2.339
52 2HH1 ARG 8 HH22 ARG 8 -1.147 13.063 3.712
53 1HH2 ARG 8 HH11 ARG 8 -4.541 12.590 3.243
54 2HH2 ARG 8 HH12 ARG 8 -3.160 12.219 4.220
55 HA PRO 9 HA PRO 9 0.305 17.151 -4.495
56 1HB PRO 9 HB2 PRO 9 2.185 17.426 -2.533
57 2HB PRO 9 HB1 PRO 9 1.120 18.740 -3.055
58 1HG PRO 9 HG2 PRO 9 1.012 17.088 -0.594
59 2HG PRO 9 HG1 PRO 9 0.513 18.766 -0.852
60 1HD PRO 9 HD2 PRO 9 -1.215 16.564 -0.718
61 2HD PRO 9 HD1 PRO 9 -1.622 18.157 -1.388
62 H CYS 10 HN CYS 10 1.434 15.485 -5.425
63 HA CYS 10 HA CYS 10 1.488 12.834 -4.397
64 1HB CYS 10 HB2 CYS 10 3.227 14.194 -6.476
65 2HB CYS 10 HB1 CYS 10 3.282 12.464 -6.145
66 H ALA 11 HN ALA 11 3.725 11.658 -4.077
67 HA ALA 11 HA ALA 11 5.690 13.341 -2.637
68 1HB ALA 11 HB1 ALA 11 3.842 12.516 -1.034
69 2HB ALA 11 HB2 ALA 11 5.514 12.211 -0.565
70 3HB ALA 11 HB3 ALA 11 4.543 10.913 -1.260
71 H ALA 12 HN ALA 12 7.676 12.123 -2.128
72 HA ALA 12 HA ALA 12 8.695 10.602 -4.257
73 1HB ALA 12 HB1 ALA 12 10.486 9.906 -2.653
74 2HB ALA 12 HB2 ALA 12 9.532 10.605 -1.344
75 3HB ALA 12 HB3 ALA 12 10.166 11.640 -2.624
76 H CYS 13 HN CYS 13 8.046 9.192 -1.028
77 HA CYS 13 HA CYS 13 8.168 6.488 -1.743
78 1HB CYS 13 HB2 CYS 13 6.668 6.076 0.219
79 2HB CYS 13 HB1 CYS 13 8.000 7.172 0.584
80 H CYS 14 HN CYS 14 5.498 8.729 -2.305
81 HA CYS 14 HA CYS 14 3.679 6.378 -2.151
82 1HB CYS 14 HB2 CYS 14 3.418 9.148 -0.970
83 2HB CYS 14 HB1 CYS 14 2.191 7.889 -0.850
84 HA PRO 15 HA PRO 15 2.205 8.328 -5.964
85 1HB PRO 15 HB2 PRO 15 0.886 6.135 -6.914
86 2HB PRO 15 HB1 PRO 15 2.634 6.362 -7.073
87 1HG PRO 15 HG2 PRO 15 1.132 4.537 -5.312
88 2HG PRO 15 HG1 PRO 15 2.785 4.407 -5.927
89 1HD PRO 15 HD2 PRO 15 1.998 5.234 -3.323
90 2HD PRO 15 HD1 PRO 15 3.634 5.300 -4.015
91 H CYS 16 HN CYS 16 -0.069 8.561 -6.919
92 HA CYS 16 HA CYS 16 -1.910 9.329 -4.856
93 1HB CYS 16 HB2 CYS 16 -2.577 8.844 -7.769
94 2HB CYS 16 HB1 CYS 16 -3.448 9.871 -6.638
95 H CYS 17 HN CYS 17 -3.915 8.371 -4.291
96 HA CYS 17 HA CYS 17 -3.955 5.565 -3.899
97 1HB CYS 17 HB2 CYS 17 -6.228 7.569 -3.973
98 2HB CYS 17 HB1 CYS 17 -6.323 5.973 -3.254
99 HA PRO 18 HA PRO 18 -5.554 3.860 -7.679
100 1HB PRO 18 HB2 PRO 18 -7.495 2.120 -6.828
101 2HB PRO 18 HB1 PRO 18 -5.759 1.799 -6.683
102 1HG PRO 18 HG2 PRO 18 -7.697 2.697 -4.602
103 2HG PRO 18 HG1 PRO 18 -6.321 1.589 -4.461
104 1HD PRO 18 HD2 PRO 18 -6.241 4.194 -3.619
105 2HD PRO 18 HD1 PRO 18 -4.806 3.302 -4.145
106 H GLY 19 HN GLY 19 -6.703 5.159 -8.998
107 1HA GLY 19 HA2 GLY 19 -9.084 5.566 -9.815
108 2HA GLY 19 HA1 GLY 19 -9.429 6.067 -8.154
109 H THR 20 HN THR 20 -6.984 7.360 -7.654
110 HA THR 20 HA THR 20 -7.320 9.856 -9.236
111 HB THR 20 HB THR 20 -6.064 10.916 -7.400
112 HG1 THR 20 HG1 THR 20 -5.467 9.568 -5.615
113 1HG2 THR 20 HG21 THR 20 -8.324 9.075 -6.611
114 2HG2 THR 20 HG22 THR 20 -8.396 10.802 -6.960
115 3HG2 THR 20 HG23 THR 20 -7.624 10.232 -5.479
116 H SER 21 HN SER 21 -5.352 10.883 -10.090
117 HA SER 21 HA SER 21 -3.068 8.972 -10.407
118 1HB SER 21 HB2 SER 21 -3.601 10.797 -12.672
119 2HB SER 21 HB1 SER 21 -3.093 9.114 -12.676
120 HG SER 21 HG SER 21 -5.536 10.126 -13.012
121 H CYS 22 HN CYS 22 -0.982 9.948 -10.742
122 HA CYS 22 HA CYS 22 -0.749 12.602 -9.479
123 1HB CYS 22 HB2 CYS 22 0.758 10.641 -8.886
124 2HB CYS 22 HB1 CYS 22 1.499 10.833 -10.470
125 H LYS 23 HN LYS 23 -0.243 14.403 -10.563
126 HA LYS 23 HA LYS 23 0.756 14.245 -13.351
127 1HB LYS 23 HB2 LYS 23 -0.912 16.039 -13.999
128 2HB LYS 23 HB1 LYS 23 -1.619 14.455 -13.691
129 1HG LYS 23 HG2 LYS 23 -1.865 15.395 -11.227
130 2HG LYS 23 HG1 LYS 23 -1.781 16.954 -12.043
131 1HD LYS 23 HD2 LYS 23 -4.065 16.558 -12.129
132 2HD LYS 23 HD1 LYS 23 -3.559 15.836 -13.656
133 1HE LYS 23 HE2 LYS 23 -3.641 14.185 -11.135
134 2HE LYS 23 HE1 LYS 23 -5.102 14.442 -12.087
135 1HZ LYS 23 HZ1 LYS 23 -4.310 12.598 -13.109
136 2HZ LYS 23 HZ2 LYS 23 -2.685 12.943 -12.755
137 3HZ LYS 23 HZ3 LYS 23 -3.472 13.754 -14.024
138 H ALA 24 HN ALA 24 1.101 16.737 -14.065
139 HA ALA 24 HA ALA 24 2.465 18.068 -11.759
140 1HB ALA 24 HB1 ALA 24 3.261 18.465 -14.639
141 2HB ALA 24 HB2 ALA 24 3.862 17.079 -13.727
142 3HB ALA 24 HB3 ALA 24 4.224 18.717 -13.183
143 H GLU 25 HN GLU 25 2.535 20.463 -11.921
144 HA GLU 25 HA GLU 25 0.284 21.554 -13.504
145 1HB GLU 25 HB2 GLU 25 0.836 21.672 -10.626
146 2HB GLU 25 HB1 GLU 25 0.551 23.258 -11.336
147 1HG GLU 25 HG2 GLU 25 -1.299 21.046 -12.111
148 2HG GLU 25 HG1 GLU 25 -1.468 21.726 -10.492
149 H SER 26 HN SER 26 0.559 24.095 -13.473
150 HA SER 26 HA SER 26 3.022 24.666 -14.875
151 1HB SER 26 HB2 SER 26 0.503 25.840 -14.721
152 2HB SER 26 HB1 SER 26 1.550 27.021 -13.942
153 HG SER 26 HG SER 26 2.788 27.112 -15.770
154 H ASN 27 HN ASN 27 1.828 25.266 -11.607
155 HA ASN 27 HA ASN 27 3.786 27.105 -10.733
156 1HB ASN 27 HB2 ASN 27 3.327 26.145 -8.440
157 2HB ASN 27 HB1 ASN 27 1.891 26.654 -9.325
158 1HD2 ASN 27 HD21 ASN 27 0.443 25.120 -8.334
159 2HD2 ASN 27 HD22 ASN 27 0.580 23.447 -8.588
160 H GLY 28 HN GLY 28 4.123 23.761 -11.486
161 1HA GLY 28 HA2 GLY 28 6.377 22.870 -11.862
162 2HA GLY 28 HA1 GLY 28 6.941 23.878 -10.532
163 H VAL 29 HN VAL 29 4.261 22.908 -9.140
164 HA VAL 29 HA VAL 29 5.540 20.489 -7.979
165 HB VAL 29 HB VAL 29 3.167 22.067 -6.948
166 1HG1 VAL 29 HG11 VAL 29 4.244 20.896 -4.790
167 2HG1 VAL 29 HG12 VAL 29 4.753 19.723 -6.005
168 3HG1 VAL 29 HG13 VAL 29 3.040 20.080 -5.788
169 1HG2 VAL 29 HG21 VAL 29 4.843 23.642 -6.704
170 2HG2 VAL 29 HG22 VAL 29 6.122 22.427 -6.669
171 3HG2 VAL 29 HG23 VAL 29 5.125 22.700 -5.240
172 H SER 30 HN SER 30 4.404 18.538 -7.792
173 HA SER 30 HA SER 30 2.211 18.246 -9.772
174 1HB SER 30 HB2 SER 30 4.156 16.328 -8.514
175 2HB SER 30 HB1 SER 30 2.721 15.743 -9.340
176 HG SER 30 HG SER 30 4.976 16.373 -10.438
177 H TYR 31 HN TYR 31 0.233 17.310 -9.182
178 HA TYR 31 HA TYR 31 -0.207 16.621 -6.330
179 1HB TYR 31 HB2 TYR 31 -1.952 18.492 -7.950
180 2HB TYR 31 HB1 TYR 31 -2.282 17.942 -6.316
181 HD1 TYR 31 HD1 TYR 31 -0.120 20.062 -8.413
182 HD2 TYR 31 HD2 TYR 31 -1.022 18.792 -4.410
183 HE1 TYR 31 HE1 TYR 31 1.264 21.911 -7.515
184 HE2 TYR 31 HE2 TYR 31 0.364 20.642 -3.511
185 HH TYR 31 HH TYR 31 2.200 22.078 -4.230
186 H CYS 32 HN CYS 32 -2.171 15.335 -6.048
187 HA CYS 32 HA CYS 32 -2.705 13.617 -8.382
188 1HB CYS 32 HB2 CYS 32 -3.812 13.461 -5.578
189 2HB CYS 32 HB1 CYS 32 -3.990 12.234 -6.821
190 H ARG 33 HN ARG 33 -4.901 13.245 -9.103
191 HA ARG 33 HA ARG 33 -6.982 15.120 -8.250
192 1HB ARG 33 HB2 ARG 33 -5.351 15.728 -10.488
193 2HB ARG 33 HB1 ARG 33 -6.874 15.140 -11.156
194 1HG ARG 33 HG2 ARG 33 -7.142 17.495 -10.838
195 2HG ARG 33 HG1 ARG 33 -8.046 16.714 -9.540
196 1HD ARG 33 HD2 ARG 33 -6.640 17.489 -7.921
197 2HD ARG 33 HD1 ARG 33 -5.210 17.255 -8.921
198 HE ARG 33 HE ARG 33 -5.408 19.489 -9.648
199 1HH1 ARG 33 HH21 ARG 33 -8.382 18.437 -8.137
200 2HH1 ARG 33 HH22 ARG 33 -9.073 20.022 -8.163
201 1HH2 ARG 33 HH11 ARG 33 -6.342 21.522 -9.662
202 2HH2 ARG 33 HH12 ARG 33 -7.933 21.750 -9.017
203 H LYS 34 HN LYS 34 -8.853 13.957 -8.245
204 HA LYS 34 HA LYS 34 -8.936 11.217 -8.894
205 1HB LYS 34 HB2 LYS 34 -10.661 13.019 -7.688
206 2HB LYS 34 HB1 LYS 34 -11.545 12.562 -9.145
207 1HG LYS 34 HG2 LYS 34 -11.791 10.383 -8.477
208 2HG LYS 34 HG1 LYS 34 -10.247 10.355 -7.627
209 1HD LYS 34 HD2 LYS 34 -12.031 10.247 -5.982
210 2HD LYS 34 HD1 LYS 34 -11.256 11.828 -5.865
211 1HE LYS 34 HE2 LYS 34 -13.039 12.785 -7.307
212 2HE LYS 34 HE1 LYS 34 -13.831 11.210 -7.344
213 1HZ LYS 34 HZ1 LYS 34 -13.284 12.826 -4.913
214 2HZ LYS 34 HZ2 LYS 34 -14.021 11.295 -4.932
215 3HZ LYS 34 HZ3 LYS 34 -14.798 12.624 -5.652
216 H ASP 35 HN ASP 35 -9.772 10.067 -10.648
217 HA ASP 35 HA ASP 35 -9.290 11.154 -13.242
218 1HB ASP 35 HB2 ASP 35 -10.473 8.623 -12.175
219 2HB ASP 35 HB1 ASP 35 -10.728 9.005 -13.878
220 H GLU 36 HN GLU 36 -11.242 10.685 -14.952
221 HA GLU 36 HA GLU 36 -13.784 11.814 -13.922
222 1HB GLU 36 HB2 GLU 36 -12.175 13.043 -16.183
223 2HB GLU 36 HB1 GLU 36 -13.814 13.516 -15.735
224 1HG GLU 36 HG2 GLU 36 -12.686 13.752 -13.325
225 2HG GLU 36 HG1 GLU 36 -11.240 14.007 -14.303
226 HA PRO 37 HA PRO 37 -15.425 9.129 -17.077
227 1HB PRO 37 HB2 PRO 37 -17.889 10.252 -17.412
228 2HB PRO 37 HB1 PRO 37 -17.423 9.352 -15.961
229 1HG PRO 37 HG2 PRO 37 -17.866 12.235 -16.302
230 2HG PRO 37 HG1 PRO 37 -17.872 11.261 -14.826
231 1HD PRO 37 HD2 PRO 37 -15.765 12.958 -15.804
232 2HD PRO 37 HD1 PRO 37 -15.765 11.956 -14.336
Start of MODEL 19
1 1H ALA 1 HT1 ALA 1 -1.852 -0.328 2.989
2 2H ALA 1 HT2 ALA 1 -1.326 -1.475 1.851
3 3H ALA 1 HT3 ALA 1 -2.225 -0.124 1.347
4 HA ALA 1 HA ALA 1 0.087 0.203 0.804
5 1HB ALA 1 HB1 ALA 1 -0.283 1.970 3.180
6 2HB ALA 1 HB2 ALA 1 -1.526 2.023 1.930
7 3HB ALA 1 HB3 ALA 1 0.150 2.392 1.524
8 H ILE 2 HN ILE 2 2.290 0.425 1.595
9 HA ILE 2 HA ILE 2 2.842 -1.419 3.841
10 HB ILE 2 HB ILE 2 4.063 -1.696 1.698
11 1HG1 ILE 2 HG12 ILE 2 6.058 -0.739 3.744
12 2HG1 ILE 2 HG11 ILE 2 5.051 -2.150 4.070
13 1HG2 ILE 2 HG21 ILE 2 5.810 0.639 2.153
14 2HG2 ILE 2 HG22 ILE 2 4.171 1.050 1.653
15 3HG2 ILE 2 HG23 ILE 2 5.160 -0.005 0.646
16 1HD1 ILE 2 HD11 ILE 2 5.835 -2.946 1.707
17 2HD1 ILE 2 HD12 ILE 2 6.942 -3.108 3.070
18 3HD1 ILE 2 HD13 ILE 2 7.134 -1.774 1.932
19 H CYS 3 HN CYS 3 4.263 -0.797 5.597
20 HA CYS 3 HA CYS 3 4.336 2.149 6.068
21 1HB CYS 3 HB2 CYS 3 4.228 1.559 8.494
22 2HB CYS 3 HB1 CYS 3 2.785 1.092 7.605
23 H THR 4 HN THR 4 6.113 2.683 7.767
24 HA THR 4 HA THR 4 8.632 1.600 6.741
25 HB THR 4 HB THR 4 8.131 3.617 8.955
26 HG1 THR 4 HG1 THR 4 8.764 3.978 6.218
27 1HG2 THR 4 HG21 THR 4 10.620 3.278 7.283
28 2HG2 THR 4 HG22 THR 4 10.405 2.416 8.806
29 3HG2 THR 4 HG23 THR 4 10.428 4.179 8.786
30 H GLY 5 HN GLY 5 7.636 2.113 10.146
31 1HA GLY 5 HA2 GLY 5 7.375 -0.116 11.440
32 2HA GLY 5 HA1 GLY 5 8.979 -0.464 10.801
33 H ALA 6 HN ALA 6 7.879 0.038 13.597
34 HA ALA 6 HA ALA 6 8.788 2.457 14.700
35 1HB ALA 6 HB1 ALA 6 8.005 -0.112 15.692
36 2HB ALA 6 HB2 ALA 6 8.039 1.429 16.543
37 3HB ALA 6 HB3 ALA 6 9.463 0.392 16.546
38 H ASP 7 HN ASP 7 10.751 2.717 16.105
39 HA ASP 7 HA ASP 7 13.070 3.001 16.190
40 1HB ASP 7 HB2 ASP 7 12.566 0.088 15.872
41 2HB ASP 7 HB1 ASP 7 14.228 0.639 15.694
42 H ARG 8 HN ARG 8 11.706 3.284 13.468
43 HA ARG 8 HA ARG 8 14.207 3.082 11.848
44 1HB ARG 8 HB2 ARG 8 11.848 1.568 11.441
45 2HB ARG 8 HB1 ARG 8 11.842 2.808 10.190
46 1HG ARG 8 HG2 ARG 8 13.543 1.821 9.074
47 2HG ARG 8 HG1 ARG 8 14.494 1.621 10.544
48 1HD ARG 8 HD2 ARG 8 14.063 -0.595 9.859
49 2HD ARG 8 HD1 ARG 8 12.845 -0.303 11.100
50 HE ARG 8 HE ARG 8 11.209 -0.544 9.436
51 1HH1 ARG 8 HH21 ARG 8 14.267 0.296 7.962
52 2HH1 ARG 8 HH22 ARG 8 13.645 0.154 6.355
53 1HH2 ARG 8 HH11 ARG 8 10.447 -0.718 7.341
54 2HH2 ARG 8 HH12 ARG 8 11.506 -0.415 6.005
55 HA PRO 9 HA PRO 9 13.311 7.306 10.852
56 1HB PRO 9 HB2 PRO 9 14.409 7.519 8.360
57 2HB PRO 9 HB1 PRO 9 15.366 7.410 9.844
58 1HG PRO 9 HG2 PRO 9 14.856 5.351 7.771
59 2HG PRO 9 HG1 PRO 9 16.270 5.584 8.809
60 1HD PRO 9 HD2 PRO 9 14.273 3.666 9.203
61 2HD PRO 9 HD1 PRO 9 15.437 4.206 10.431
62 H CYS 10 HN CYS 10 11.387 8.212 10.255
63 HA CYS 10 HA CYS 10 9.384 6.959 8.716
64 1HB CYS 10 HB2 CYS 10 9.862 9.908 9.241
65 2HB CYS 10 HB1 CYS 10 8.384 9.263 8.529
66 H ALA 11 HN ALA 11 8.469 8.020 6.608
67 HA ALA 11 HA ALA 11 10.701 8.755 4.767
68 1HB ALA 11 HB1 ALA 11 9.440 7.283 3.045
69 2HB ALA 11 HB2 ALA 11 8.678 6.540 4.451
70 3HB ALA 11 HB3 ALA 11 10.429 6.466 4.255
71 H ALA 12 HN ALA 12 9.935 9.837 2.793
72 HA ALA 12 HA ALA 12 8.121 11.935 3.216
73 1HB ALA 12 HB1 ALA 12 9.425 12.311 1.351
74 2HB ALA 12 HB2 ALA 12 7.949 11.761 0.558
75 3HB ALA 12 HB3 ALA 12 9.293 10.644 0.793
76 H CYS 13 HN CYS 13 7.418 9.179 1.033
77 HA CYS 13 HA CYS 13 4.666 9.616 0.740
78 1HB CYS 13 HB2 CYS 13 4.501 7.165 0.258
79 2HB CYS 13 HB1 CYS 13 5.820 7.955 -0.602
80 H CYS 14 HN CYS 14 6.299 8.072 3.515
81 HA CYS 14 HA CYS 14 3.775 6.530 3.843
82 1HB CYS 14 HB2 CYS 14 6.662 5.652 4.031
83 2HB CYS 14 HB1 CYS 14 5.281 4.608 4.355
84 HA PRO 15 HA PRO 15 4.205 7.648 8.173
85 1HB PRO 15 HB2 PRO 15 1.947 6.402 9.059
86 2HB PRO 15 HB1 PRO 15 1.920 7.931 8.168
87 1HG PRO 15 HG2 PRO 15 1.112 5.245 7.290
88 2HG PRO 15 HG1 PRO 15 0.646 6.827 6.652
89 1HD PRO 15 HD2 PRO 15 2.577 5.007 5.563
90 2HD PRO 15 HD1 PRO 15 2.158 6.630 4.971
91 H CYS 16 HN CYS 16 4.203 6.402 10.329
92 HA CYS 16 HA CYS 16 5.855 4.035 10.057
93 1HB CYS 16 HB2 CYS 16 4.510 5.086 12.560
94 2HB CYS 16 HB1 CYS 16 5.893 3.997 12.484
95 H CYS 17 HN CYS 17 5.297 1.920 10.976
96 HA CYS 17 HA CYS 17 2.873 0.815 10.005
97 1HB CYS 17 HB2 CYS 17 4.789 -0.131 12.151
98 2HB CYS 17 HB1 CYS 17 3.546 -1.139 11.445
99 HA PRO 18 HA PRO 18 -0.138 1.615 13.172
100 1HB PRO 18 HB2 PRO 18 -1.334 -0.825 13.559
101 2HB PRO 18 HB1 PRO 18 -1.632 0.200 12.146
102 1HG PRO 18 HG2 PRO 18 0.082 -2.228 12.394
103 2HG PRO 18 HG1 PRO 18 -0.927 -1.692 11.040
104 1HD PRO 18 HD2 PRO 18 1.793 -1.388 11.093
105 2HD PRO 18 HD1 PRO 18 0.718 -0.311 10.190
106 H GLY 19 HN GLY 19 0.098 1.870 15.349
107 1HA GLY 19 HA2 GLY 19 0.426 0.962 17.614
108 2HA GLY 19 HA1 GLY 19 1.492 -0.263 16.914
109 H THR 20 HN THR 20 2.830 1.541 15.129
110 HA THR 20 HA THR 20 4.622 2.929 17.054
111 HB THR 20 HB THR 20 6.283 2.875 15.269
112 HG1 THR 20 HG1 THR 20 4.184 1.864 13.643
113 1HG2 THR 20 HG21 THR 20 6.167 0.776 16.407
114 2HG2 THR 20 HG22 THR 20 6.247 0.389 14.690
115 3HG2 THR 20 HG23 THR 20 4.705 0.308 15.541
116 H SER 21 HN SER 21 5.317 5.157 16.458
117 HA SER 21 HA SER 21 3.394 6.558 14.648
118 1HB SER 21 HB2 SER 21 4.289 8.000 17.084
119 2HB SER 21 HB1 SER 21 2.746 8.063 16.243
120 HG SER 21 HG SER 21 2.232 6.905 17.971
121 H CYS 22 HN CYS 22 4.199 8.665 13.857
122 HA CYS 22 HA CYS 22 7.163 8.636 13.600
123 1HB CYS 22 HB2 CYS 22 5.681 8.745 11.551
124 2HB CYS 22 HB1 CYS 22 5.200 10.356 12.066
125 H LYS 23 HN LYS 23 8.359 10.127 14.603
126 HA LYS 23 HA LYS 23 7.138 12.690 15.455
127 1HB LYS 23 HB2 LYS 23 8.427 12.356 17.703
128 2HB LYS 23 HB1 LYS 23 6.862 11.575 17.500
129 1HG LYS 23 HG2 LYS 23 9.378 10.108 16.735
130 2HG LYS 23 HG1 LYS 23 8.878 10.176 18.425
131 1HD LYS 23 HD2 LYS 23 6.539 9.545 16.956
132 2HD LYS 23 HD1 LYS 23 7.820 8.542 16.279
133 1HE LYS 23 HE2 LYS 23 7.264 7.165 18.021
134 2HE LYS 23 HE1 LYS 23 8.350 8.230 18.913
135 1HZ LYS 23 HZ1 LYS 23 5.409 8.202 18.867
136 2HZ LYS 23 HZ2 LYS 23 6.232 9.643 19.233
137 3HZ LYS 23 HZ3 LYS 23 6.459 8.262 20.198
138 H ALA 24 HN ALA 24 8.492 14.352 15.001
139 HA ALA 24 HA ALA 24 11.080 13.886 13.819
140 1HB ALA 24 HB1 ALA 24 9.466 15.892 13.487
141 2HB ALA 24 HB2 ALA 24 11.197 16.225 13.537
142 3HB ALA 24 HB3 ALA 24 10.197 16.535 14.957
143 H GLU 25 HN GLU 25 13.114 14.926 14.714
144 HA GLU 25 HA GLU 25 13.197 14.801 17.667
145 1HB GLU 25 HB2 GLU 25 14.598 13.143 15.711
146 2HB GLU 25 HB1 GLU 25 15.711 13.946 16.814
147 1HG GLU 25 HG2 GLU 25 13.916 13.136 18.620
148 2HG GLU 25 HG1 GLU 25 13.609 11.907 17.393
149 H SER 26 HN SER 26 15.546 15.660 18.307
150 HA SER 26 HA SER 26 15.628 18.426 17.469
151 1HB SER 26 HB2 SER 26 16.592 16.953 19.640
152 2HB SER 26 HB1 SER 26 18.048 17.496 18.814
153 HG SER 26 HG SER 26 17.057 18.973 20.406
154 H ASN 27 HN ASN 27 17.449 15.526 16.636
155 HA ASN 27 HA ASN 27 19.643 16.728 15.314
156 1HB ASN 27 HB2 ASN 27 19.730 14.578 13.999
157 2HB ASN 27 HB1 ASN 27 19.670 14.359 15.746
158 1HD2 ASN 27 HD21 ASN 27 18.671 12.213 15.464
159 2HD2 ASN 27 HD22 ASN 27 17.042 12.069 15.009
160 H GLY 28 HN GLY 28 16.336 16.619 14.379
161 1HA GLY 28 HA2 GLY 28 15.582 18.163 12.621
162 2HA GLY 28 HA1 GLY 28 17.077 17.818 11.753
163 H VAL 29 HN VAL 29 16.695 14.868 12.506
164 HA VAL 29 HA VAL 29 14.858 14.251 10.251
165 HB VAL 29 HB VAL 29 16.810 12.422 11.679
166 1HG1 VAL 29 HG11 VAL 29 16.522 11.342 9.262
167 2HG1 VAL 29 HG12 VAL 29 14.971 12.179 9.331
168 3HG1 VAL 29 HG13 VAL 29 15.384 10.982 10.560
169 1HG2 VAL 29 HG21 VAL 29 18.211 12.790 9.619
170 2HG2 VAL 29 HG22 VAL 29 18.055 14.225 10.633
171 3HG2 VAL 29 HG23 VAL 29 17.102 14.081 9.156
172 H SER 30 HN SER 30 13.198 12.698 10.495
173 HA SER 30 HA SER 30 12.307 12.384 13.314
174 1HB SER 30 HB2 SER 30 10.637 12.008 10.826
175 2HB SER 30 HB1 SER 30 10.068 12.219 12.479
176 HG SER 30 HG SER 30 9.953 14.233 11.794
177 H TYR 31 HN TYR 31 11.655 10.325 14.070
178 HA TYR 31 HA TYR 31 12.130 8.009 12.270
179 1HB TYR 31 HB2 TYR 31 13.178 8.348 15.092
180 2HB TYR 31 HB1 TYR 31 13.233 6.845 14.185
181 HD1 TYR 31 HD1 TYR 31 14.420 10.369 14.229
182 HD2 TYR 31 HD2 TYR 31 14.900 6.459 12.517
183 HE1 TYR 31 HE1 TYR 31 16.527 11.101 13.146
184 HE2 TYR 31 HE2 TYR 31 17.007 7.191 11.433
185 HH TYR 31 HH TYR 31 17.885 10.386 11.097
186 H CYS 32 HN CYS 32 11.075 6.034 13.120
187 HA CYS 32 HA CYS 32 8.521 6.709 14.433
188 1HB CYS 32 HB2 CYS 32 9.461 4.049 13.363
189 2HB CYS 32 HB1 CYS 32 7.828 4.441 13.870
190 H ARG 33 HN ARG 33 7.794 5.421 16.263
191 HA ARG 33 HA ARG 33 9.797 3.919 17.779
192 1HB ARG 33 HB2 ARG 33 9.396 6.670 18.301
193 2HB ARG 33 HB1 ARG 33 8.518 5.820 19.574
194 1HG ARG 33 HG2 ARG 33 10.751 6.081 20.377
195 2HG ARG 33 HG1 ARG 33 10.615 4.397 19.869
196 1HD ARG 33 HD2 ARG 33 12.100 4.664 18.164
197 2HD ARG 33 HD1 ARG 33 11.450 6.241 17.728
198 HE ARG 33 HE ARG 33 13.087 7.241 19.097
199 1HH1 ARG 33 HH21 ARG 33 12.790 3.839 19.852
200 2HH1 ARG 33 HH22 ARG 33 14.153 3.853 20.915
201 1HH2 ARG 33 HH11 ARG 33 14.845 7.214 20.483
202 2HH2 ARG 33 HH12 ARG 33 15.305 5.741 21.270
203 H LYS 34 HN LYS 34 8.680 2.170 18.457
204 HA LYS 34 HA LYS 34 5.914 1.809 18.080
205 1HB LYS 34 HB2 LYS 34 7.884 0.118 18.671
206 2HB LYS 34 HB1 LYS 34 7.248 0.319 20.305
207 1HG LYS 34 HG2 LYS 34 5.116 -0.502 19.703
208 2HG LYS 34 HG1 LYS 34 5.425 -0.288 17.980
209 1HD LYS 34 HD2 LYS 34 6.658 -2.221 17.818
210 2HD LYS 34 HD1 LYS 34 7.269 -2.094 19.468
211 1HE LYS 34 HE2 LYS 34 5.320 -3.011 20.398
212 2HE LYS 34 HE1 LYS 34 4.349 -2.632 18.975
213 1HZ LYS 34 HZ1 LYS 34 5.678 -4.271 17.734
214 2HZ LYS 34 HZ2 LYS 34 4.811 -4.967 19.018
215 3HZ LYS 34 HZ3 LYS 34 6.481 -4.689 19.169
216 H ASP 35 HN ASP 35 4.682 3.486 18.940
217 HA ASP 35 HA ASP 35 3.950 3.206 21.726
218 1HB ASP 35 HB2 ASP 35 5.696 5.460 20.838
219 2HB ASP 35 HB1 ASP 35 4.407 5.826 21.985
220 H GLU 36 HN GLU 36 2.156 4.790 22.272
221 HA GLU 36 HA GLU 36 0.429 5.107 19.896
222 1HB GLU 36 HB2 GLU 36 -0.176 5.613 22.826
223 2HB GLU 36 HB1 GLU 36 -1.355 5.537 21.516
224 1HG GLU 36 HG2 GLU 36 -1.516 3.360 22.248
225 2HG GLU 36 HG1 GLU 36 -0.173 3.164 21.121
226 HA PRO 37 HA PRO 37 0.963 9.530 19.763
227 1HB PRO 37 HB2 PRO 37 -1.345 10.213 18.478
228 2HB PRO 37 HB1 PRO 37 -0.001 9.384 17.680
229 1HG PRO 37 HG2 PRO 37 -2.648 8.352 18.423
230 2HG PRO 37 HG1 PRO 37 -1.488 7.730 17.242
231 1HD PRO 37 HD2 PRO 37 -1.984 6.757 19.906
232 2HD PRO 37 HD1 PRO 37 -0.806 6.147 18.723
Start of MODEL 20
1 1H ALA 1 HT1 ALA 1 0.524 -2.818 -0.496
2 2H ALA 1 HT2 ALA 1 1.982 -2.632 -1.349
3 3H ALA 1 HT3 ALA 1 0.650 -1.640 -1.709
4 HA ALA 1 HA ALA 1 0.825 -0.455 0.289
5 1HB ALA 1 HB1 ALA 1 1.170 -2.212 1.865
6 2HB ALA 1 HB2 ALA 1 2.613 -1.203 1.967
7 3HB ALA 1 HB3 ALA 1 2.662 -2.725 1.077
8 H ILE 2 HN ILE 2 2.579 1.098 0.824
9 HA ILE 2 HA ILE 2 4.220 1.657 -1.500
10 HB ILE 2 HB ILE 2 3.256 3.462 -0.127
11 1HG1 ILE 2 HG12 ILE 2 5.389 4.781 0.232
12 2HG1 ILE 2 HG11 ILE 2 6.283 3.313 -0.165
13 1HG2 ILE 2 HG21 ILE 2 5.047 2.289 2.013
14 2HG2 ILE 2 HG22 ILE 2 3.297 2.502 2.072
15 3HG2 ILE 2 HG23 ILE 2 4.359 3.910 2.119
16 1HD1 ILE 2 HD11 ILE 2 5.608 3.338 -2.387
17 2HD1 ILE 2 HD12 ILE 2 5.687 5.068 -2.056
18 3HD1 ILE 2 HD13 ILE 2 4.131 4.237 -2.036
19 H CYS 3 HN CYS 3 6.513 1.603 -1.621
20 HA CYS 3 HA CYS 3 7.845 -0.051 0.475
21 1HB CYS 3 HB2 CYS 3 9.284 -0.909 -1.391
22 2HB CYS 3 HB1 CYS 3 7.601 -1.399 -1.517
23 H THR 4 HN THR 4 10.362 0.225 0.190
24 HA THR 4 HA THR 4 10.897 3.103 0.418
25 HB THR 4 HB THR 4 12.775 0.731 0.677
26 HG1 THR 4 HG1 THR 4 12.163 0.646 2.700
27 1HG2 THR 4 HG21 THR 4 13.307 3.261 2.105
28 2HG2 THR 4 HG22 THR 4 13.462 3.359 0.351
29 3HG2 THR 4 HG23 THR 4 14.423 2.191 1.258
30 H GLY 5 HN GLY 5 12.718 0.544 -1.315
31 1HA GLY 5 HA2 GLY 5 12.722 0.840 -3.867
32 2HA GLY 5 HA1 GLY 5 13.139 2.514 -3.516
33 H ALA 6 HN ALA 6 14.609 0.263 -4.901
34 HA ALA 6 HA ALA 6 16.806 -0.694 -3.434
35 1HB ALA 6 HB1 ALA 6 17.314 -1.524 -5.454
36 2HB ALA 6 HB2 ALA 6 17.744 0.087 -6.028
37 3HB ALA 6 HB3 ALA 6 16.086 -0.493 -6.183
38 H ASP 7 HN ASP 7 19.095 0.091 -3.649
39 HA ASP 7 HA ASP 7 20.683 1.692 -3.029
40 1HB ASP 7 HB2 ASP 7 19.097 2.867 -5.254
41 2HB ASP 7 HB1 ASP 7 20.194 3.942 -4.395
42 H ARG 8 HN ARG 8 18.029 1.648 -1.503
43 HA ARG 8 HA ARG 8 18.358 4.337 -0.243
44 1HB ARG 8 HB2 ARG 8 16.077 3.450 -1.658
45 2HB ARG 8 HB1 ARG 8 15.647 3.333 0.046
46 1HG ARG 8 HG2 ARG 8 15.296 5.558 0.056
47 2HG ARG 8 HG1 ARG 8 17.017 5.796 -0.236
48 1HD ARG 8 HD2 ARG 8 15.290 5.112 -2.578
49 2HD ARG 8 HD1 ARG 8 15.178 6.745 -1.921
50 HE ARG 8 HE ARG 8 17.934 5.941 -2.314
51 1HH1 ARG 8 HH21 ARG 8 15.082 7.144 -3.944
52 2HH1 ARG 8 HH22 ARG 8 15.997 7.892 -5.206
53 1HH2 ARG 8 HH11 ARG 8 19.077 6.925 -3.967
54 2HH2 ARG 8 HH12 ARG 8 18.233 7.771 -5.221
55 HA PRO 9 HA PRO 9 18.650 1.985 3.504
56 1HB PRO 9 HB2 PRO 9 17.693 3.774 5.332
57 2HB PRO 9 HB1 PRO 9 19.276 3.924 4.556
58 1HG PRO 9 HG2 PRO 9 16.778 5.440 4.055
59 2HG PRO 9 HG1 PRO 9 18.464 5.949 3.880
60 1HD PRO 9 HD2 PRO 9 16.763 5.202 1.782
61 2HD PRO 9 HD1 PRO 9 18.532 5.316 1.687
62 H CYS 10 HN CYS 10 17.361 0.325 4.177
63 HA CYS 10 HA CYS 10 14.586 0.098 3.731
64 1HB CYS 10 HB2 CYS 10 16.317 -1.256 5.824
65 2HB CYS 10 HB1 CYS 10 14.673 -1.752 5.426
66 H ALA 11 HN ALA 11 12.948 -0.229 5.627
67 HA ALA 11 HA ALA 11 13.369 1.835 7.741
68 1HB ALA 11 HB1 ALA 11 12.048 2.971 6.087
69 2HB ALA 11 HB2 ALA 11 10.946 2.505 7.382
70 3HB ALA 11 HB3 ALA 11 10.991 1.573 5.885
71 H ALA 12 HN ALA 12 11.896 1.555 9.591
72 HA ALA 12 HA ALA 12 11.777 -1.051 10.619
73 1HB ALA 12 HB1 ALA 12 9.763 0.050 11.996
74 2HB ALA 12 HB2 ALA 12 10.409 1.519 11.266
75 3HB ALA 12 HB3 ALA 12 11.442 0.509 12.278
76 H CYS 13 HN CYS 13 8.853 0.755 9.598
77 HA CYS 13 HA CYS 13 7.065 -1.400 9.558
78 1HB CYS 13 HB2 CYS 13 5.764 -0.069 7.884
79 2HB CYS 13 HB1 CYS 13 6.287 0.882 9.272
80 H CYS 14 HN CYS 14 9.465 -0.571 7.050
81 HA CYS 14 HA CYS 14 7.562 -1.825 5.137
82 1HB CYS 14 HB2 CYS 14 9.202 0.705 4.910
83 2HB CYS 14 HB1 CYS 14 8.179 0.061 3.629
84 HA PRO 15 HA PRO 15 11.238 -3.907 3.607
85 1HB PRO 15 HB2 PRO 15 9.991 -5.397 1.693
86 2HB PRO 15 HB1 PRO 15 9.919 -5.785 3.418
87 1HG PRO 15 HG2 PRO 15 7.826 -4.711 1.655
88 2HG PRO 15 HG1 PRO 15 7.673 -5.572 3.192
89 1HD PRO 15 HD2 PRO 15 7.447 -2.750 2.748
90 2HD PRO 15 HD1 PRO 15 7.382 -3.612 4.301
91 H CYS 16 HN CYS 16 12.285 -4.205 1.373
92 HA CYS 16 HA CYS 16 12.270 -1.681 -0.037
93 1HB CYS 16 HB2 CYS 16 13.497 -4.299 -0.940
94 2HB CYS 16 HB1 CYS 16 13.927 -2.685 -1.499
95 H CYS 17 HN CYS 17 11.802 -1.475 -2.375
96 HA CYS 17 HA CYS 17 9.178 -2.274 -3.087
97 1HB CYS 17 HB2 CYS 17 11.529 -1.376 -4.769
98 2HB CYS 17 HB1 CYS 17 9.892 -1.495 -5.376
99 HA PRO 18 HA PRO 18 9.593 -6.353 -4.785
100 1HB PRO 18 HB2 PRO 18 8.132 -6.225 -7.102
101 2HB PRO 18 HB1 PRO 18 7.406 -6.288 -5.488
102 1HG PRO 18 HG2 PRO 18 7.767 -3.957 -7.311
103 2HG PRO 18 HG1 PRO 18 6.434 -4.330 -6.206
104 1HD PRO 18 HD2 PRO 18 8.396 -2.495 -5.645
105 2HD PRO 18 HD1 PRO 18 7.494 -3.367 -4.398
106 H GLY 19 HN GLY 19 11.515 -7.014 -5.577
107 1HA GLY 19 HA2 GLY 19 12.752 -7.501 -7.730
108 2HA GLY 19 HA1 GLY 19 12.550 -5.784 -8.104
109 H THR 20 HN THR 20 12.957 -4.854 -5.440
110 HA THR 20 HA THR 20 15.912 -5.121 -5.234
111 HB THR 20 HB THR 20 15.783 -3.063 -3.899
112 HG1 THR 20 HG1 THR 20 12.971 -3.262 -4.232
113 1HG2 THR 20 HG21 THR 20 15.814 -2.607 -6.234
114 2HG2 THR 20 HG22 THR 20 14.523 -1.598 -5.587
115 3HG2 THR 20 HG23 THR 20 14.132 -3.097 -6.429
116 H SER 21 HN SER 21 16.831 -5.486 -3.061
117 HA SER 21 HA SER 21 14.907 -6.817 -1.185
118 1HB SER 21 HB2 SER 21 17.685 -7.857 -1.339
119 2HB SER 21 HB1 SER 21 16.180 -8.714 -1.036
120 HG SER 21 HG SER 21 15.951 -9.023 -3.109
121 H CYS 22 HN CYS 22 15.620 -6.880 1.078
122 HA CYS 22 HA CYS 22 17.294 -4.514 1.748
123 1HB CYS 22 HB2 CYS 22 14.981 -4.804 2.743
124 2HB CYS 22 HB1 CYS 22 15.617 -6.174 3.644
125 H LYS 23 HN LYS 23 19.257 -4.768 2.613
126 HA LYS 23 HA LYS 23 19.998 -7.332 3.903
127 1HB LYS 23 HB2 LYS 23 22.272 -7.094 2.615
128 2HB LYS 23 HB1 LYS 23 20.901 -7.849 1.808
129 1HG LYS 23 HG2 LYS 23 21.350 -4.882 1.553
130 2HG LYS 23 HG1 LYS 23 22.261 -6.004 0.542
131 1HD LYS 23 HD2 LYS 23 19.590 -6.907 0.425
132 2HD LYS 23 HD1 LYS 23 19.493 -5.153 0.297
133 1HE LYS 23 HE2 LYS 23 19.891 -5.569 -1.914
134 2HE LYS 23 HE1 LYS 23 21.571 -5.628 -1.379
135 1HZ LYS 23 HZ1 LYS 23 20.619 -7.580 -2.737
136 2HZ LYS 23 HZ2 LYS 23 19.899 -8.050 -1.272
137 3HZ LYS 23 HZ3 LYS 23 21.589 -7.918 -1.389
138 H ALA 24 HN ALA 24 21.132 -6.961 5.746
139 HA ALA 24 HA ALA 24 21.762 -4.230 6.524
140 1HB ALA 24 HB1 ALA 24 22.414 -5.175 8.638
141 2HB ALA 24 HB2 ALA 24 22.592 -6.780 7.930
142 3HB ALA 24 HB3 ALA 24 20.990 -6.064 8.097
143 H GLU 25 HN GLU 25 23.986 -3.649 7.339
144 HA GLU 25 HA GLU 25 26.113 -4.963 5.756
145 1HB GLU 25 HB2 GLU 25 25.190 -2.192 5.701
146 2HB GLU 25 HB1 GLU 25 26.913 -2.305 6.053
147 1HG GLU 25 HG2 GLU 25 25.735 -3.931 3.814
148 2HG GLU 25 HG1 GLU 25 26.125 -2.230 3.556
149 H SER 26 HN SER 26 28.320 -3.890 6.672
150 HA SER 26 HA SER 26 28.549 -4.862 9.386
151 1HB SER 26 HB2 SER 26 30.312 -4.341 7.283
152 2HB SER 26 HB1 SER 26 30.761 -3.164 8.512
153 HG SER 26 HG SER 26 30.535 -5.983 8.783
154 H ASN 27 HN ASN 27 28.233 -1.679 7.911
155 HA ASN 27 HA ASN 27 28.964 -0.071 10.119
156 1HB ASN 27 HB2 ASN 27 27.432 1.643 9.082
157 2HB ASN 27 HB1 ASN 27 28.612 0.956 7.969
158 1HD2 ASN 27 HD21 ASN 27 27.105 1.485 6.164
159 2HD2 ASN 27 HD22 ASN 27 25.755 0.498 5.873
160 H GLY 28 HN GLY 28 26.204 -2.083 9.717
161 1HA GLY 28 HA2 GLY 28 24.875 -2.670 11.688
162 2HA GLY 28 HA1 GLY 28 25.110 -1.026 12.276
163 H VAL 29 HN VAL 29 24.576 -0.118 9.356
164 HA VAL 29 HA VAL 29 21.619 -0.073 9.661
165 HB VAL 29 HB VAL 29 23.379 1.594 7.842
166 1HG1 VAL 29 HG11 VAL 29 21.231 1.762 6.956
167 2HG1 VAL 29 HG12 VAL 29 21.214 3.076 8.132
168 3HG1 VAL 29 HG13 VAL 29 20.457 1.532 8.524
169 1HG2 VAL 29 HG21 VAL 29 23.936 2.032 10.185
170 2HG2 VAL 29 HG22 VAL 29 22.226 2.197 10.584
171 3HG2 VAL 29 HG23 VAL 29 23.007 3.385 9.539
172 H SER 30 HN SER 30 20.258 -0.625 7.923
173 HA SER 30 HA SER 30 21.577 -2.351 5.887
174 1HB SER 30 HB2 SER 30 18.684 -2.429 6.758
175 2HB SER 30 HB1 SER 30 19.535 -3.626 5.788
176 HG SER 30 HG SER 30 19.253 -3.732 8.315
177 H TYR 31 HN TYR 31 20.952 -2.129 3.695
178 HA TYR 31 HA TYR 31 19.121 0.116 3.027
179 1HB TYR 31 HB2 TYR 31 21.853 -0.405 1.824
180 2HB TYR 31 HB1 TYR 31 20.701 0.775 1.218
181 HD1 TYR 31 HD1 TYR 31 22.699 -0.175 4.217
182 HD2 TYR 31 HD2 TYR 31 20.529 2.932 2.198
183 HE1 TYR 31 HE1 TYR 31 23.541 1.480 5.860
184 HE2 TYR 31 HE2 TYR 31 21.369 4.588 3.842
185 HH TYR 31 HH TYR 31 22.273 4.239 6.502
186 H CYS 32 HN CYS 32 18.336 -0.059 0.770
187 HA CYS 32 HA CYS 32 17.925 -2.881 0.017
188 1HB CYS 32 HB2 CYS 32 16.831 -0.388 -1.286
189 2HB CYS 32 HB1 CYS 32 16.304 -2.034 -1.591
190 H ARG 33 HN ARG 33 18.314 -3.549 -2.214
191 HA ARG 33 HA ARG 33 20.102 -1.910 -3.849
192 1HB ARG 33 HB2 ARG 33 21.181 -3.802 -2.046
193 2HB ARG 33 HB1 ARG 33 21.239 -4.582 -3.628
194 1HG ARG 33 HG2 ARG 33 23.277 -3.353 -3.418
195 2HG ARG 33 HG1 ARG 33 22.252 -2.416 -4.506
196 1HD ARG 33 HD2 ARG 33 22.028 -0.699 -3.021
197 2HD ARG 33 HD1 ARG 33 21.910 -1.787 -1.642
198 HE ARG 33 HE ARG 33 24.237 -1.575 -1.336
199 1HH1 ARG 33 HH21 ARG 33 23.327 -0.456 -4.522
200 2HH1 ARG 33 HH22 ARG 33 24.905 0.159 -4.866
201 1HH2 ARG 33 HH11 ARG 33 26.265 -0.766 -1.824
202 2HH2 ARG 33 HH12 ARG 33 26.552 -0.014 -3.357
203 H LYS 34 HN LYS 34 19.378 -2.208 -5.893
204 HA LYS 34 HA LYS 34 17.245 -3.939 -6.531
205 1HB LYS 34 HB2 LYS 34 17.812 -3.464 -8.919
206 2HB LYS 34 HB1 LYS 34 17.785 -2.005 -7.928
207 1HG LYS 34 HG2 LYS 34 20.366 -2.629 -7.609
208 2HG LYS 34 HG1 LYS 34 20.109 -3.411 -9.168
209 1HD LYS 34 HD2 LYS 34 19.171 -1.278 -10.049
210 2HD LYS 34 HD1 LYS 34 19.543 -0.507 -8.507
211 1HE LYS 34 HE2 LYS 34 21.957 -1.331 -8.884
212 2HE LYS 34 HE1 LYS 34 21.465 -1.618 -10.553
213 1HZ LYS 34 HZ1 LYS 34 21.016 0.632 -10.883
214 2HZ LYS 34 HZ2 LYS 34 22.469 0.632 -10.001
215 3HZ LYS 34 HZ3 LYS 34 20.999 0.980 -9.223
216 H ASP 35 HN ASP 35 17.114 -5.923 -7.559
217 HA ASP 35 HA ASP 35 19.336 -7.741 -7.067
218 1HB ASP 35 HB2 ASP 35 16.595 -8.142 -8.293
219 2HB ASP 35 HB1 ASP 35 17.748 -9.450 -8.029
220 H GLU 36 HN GLU 36 19.413 -9.487 -9.123
221 HA GLU 36 HA GLU 36 19.953 -7.860 -11.568
222 1HB GLU 36 HB2 GLU 36 21.760 -9.840 -10.178
223 2HB GLU 36 HB1 GLU 36 21.952 -9.464 -11.891
224 1HG GLU 36 HG2 GLU 36 21.935 -6.983 -11.131
225 2HG GLU 36 HG1 GLU 36 22.255 -7.627 -9.520
226 HA PRO 37 HA PRO 37 17.810 -11.229 -13.555
227 1HB PRO 37 HB2 PRO 37 18.530 -10.708 -16.135
228 2HB PRO 37 HB1 PRO 37 17.378 -9.714 -15.232
229 1HG PRO 37 HG2 PRO 37 20.137 -9.102 -16.045
230 2HG PRO 37 HG1 PRO 37 18.818 -8.004 -15.618
231 1HD PRO 37 HD2 PRO 37 21.030 -8.789 -13.974
232 2HD PRO 37 HD1 PRO 37 19.657 -7.756 -13.523
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