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 |
|
|
624248 |
5wxe   |
36041 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLN 1 HT1 GLN 1 -9.131 -4.000 -6.098
2 H2 GLN 1 HT2 GLN 1 -8.572 -5.326 -5.162
3 H3 GLN 1 HT3 GLN 1 -7.946 -5.060 -6.738
4 HA GLN 1 HA GLN 1 -6.320 -4.311 -5.329
5 HB2 GLN 1 HB2 GLN 1 -7.572 -2.692 -7.132
6 HB3 GLN 1 HB1 GLN 1 -7.622 -1.687 -5.690
7 HG2 GLN 1 HG2 GLN 1 -5.067 -2.415 -5.578
8 HG3 GLN 1 HG1 GLN 1 -5.314 -2.566 -7.317
9 HE21 GLN 1 HE21 GLN 1 -3.560 -0.731 -6.214
10 HE22 GLN 1 HE22 GLN 1 -4.155 0.864 -6.505
11 H LEU 2 HN LEU 2 -5.869 -2.310 -3.750
12 HA LEU 2 HA LEU 2 -7.867 -2.377 -1.593
13 HB2 LEU 2 HB2 LEU 2 -5.234 -3.505 -1.561
14 HB3 LEU 2 HB1 LEU 2 -5.295 -2.177 -0.419
15 HG LEU 2 HG LEU 2 -5.806 -4.202 0.747
16 HD11 LEU 2 HD11 LEU 2 -7.072 -2.238 1.427
17 HD12 LEU 2 HD12 LEU 2 -8.025 -3.706 1.632
18 HD13 LEU 2 HD13 LEU 2 -8.336 -2.638 0.265
19 HD21 LEU 2 HD21 LEU 2 -8.135 -5.256 -0.090
20 HD22 LEU 2 HD22 LEU 2 -6.553 -5.844 -0.603
21 HD23 LEU 2 HD23 LEU 2 -7.458 -4.735 -1.633
22 H CYS 3 HN CYS 3 -7.120 -0.706 0.178
23 HA CYS 3 HA CYS 3 -5.761 1.618 -0.816
24 HB2 CYS 3 HB2 CYS 3 -8.315 1.536 -1.630
25 HB3 CYS 3 HB1 CYS 3 -8.561 2.240 -0.036
26 H LEU 4 HN LEU 4 -4.813 0.452 1.222
27 HA LEU 4 HA LEU 4 -6.082 1.188 3.712
28 HB2 LEU 4 HB2 LEU 4 -3.256 0.219 3.491
29 HB3 LEU 4 HB1 LEU 4 -4.404 -0.025 4.791
30 HG LEU 4 HG LEU 4 -4.924 -1.265 2.115
31 HD11 LEU 4 HD11 LEU 4 -2.533 -1.704 3.258
32 HD12 LEU 4 HD12 LEU 4 -3.420 -2.926 2.348
33 HD13 LEU 4 HD13 LEU 4 -3.505 -2.904 4.109
34 HD21 LEU 4 HD21 LEU 4 -5.695 -3.035 3.979
35 HD22 LEU 4 HD22 LEU 4 -6.736 -1.745 3.376
36 HD23 LEU 4 HD23 LEU 4 -5.867 -1.539 4.898
37 H LEU 5 HN LEU 5 -5.467 2.797 5.109
38 HA LEU 5 HA LEU 5 -4.510 5.184 4.153
39 HB2 LEU 5 HB2 LEU 5 -5.648 4.651 6.385
40 HB3 LEU 5 HB1 LEU 5 -4.038 4.311 6.991
41 HG LEU 5 HG LEU 5 -3.522 6.724 6.060
42 HD11 LEU 5 HD11 LEU 5 -5.315 8.222 6.026
43 HD12 LEU 5 HD12 LEU 5 -6.412 7.068 6.785
44 HD13 LEU 5 HD13 LEU 5 -5.894 6.826 5.117
45 HD21 LEU 5 HD21 LEU 5 -4.694 5.797 8.619
46 HD22 LEU 5 HD22 LEU 5 -4.584 7.538 8.360
47 HD23 LEU 5 HD23 LEU 5 -3.130 6.543 8.290
48 H CYS 6 HN CYS 6 -2.612 5.762 3.350
49 HA CYS 6 HA CYS 6 -0.168 4.659 4.563
50 HB2 CYS 6 HB2 CYS 6 -0.686 3.575 2.358
51 HB3 CYS 6 HB1 CYS 6 -0.527 5.158 1.603
52 H GLN 7 HN GLN 7 1.751 6.003 4.249
53 HA GLN 7 HA GLN 7 1.027 8.847 4.125
54 HB2 GLN 7 HB2 GLN 7 3.305 7.449 5.524
55 HB3 GLN 7 HB1 GLN 7 3.148 9.197 5.419
56 HG2 GLN 7 HG2 GLN 7 0.733 8.585 6.414
57 HG3 GLN 7 HG1 GLN 7 1.681 7.254 7.077
58 HE21 GLN 7 HE21 GLN 7 2.002 7.750 9.135
59 HE22 GLN 7 HE22 GLN 7 2.638 9.244 9.724
60 H THR 8 HN THR 8 3.702 6.659 3.308
61 HA THR 8 HA THR 8 4.461 8.532 1.165
62 HB THR 8 HB THR 8 6.165 8.166 2.948
63 HG1 THR 8 HG1 THR 8 7.312 8.677 1.273
64 HG21 THR 8 HG21 THR 8 6.571 6.137 3.719
65 HG22 THR 8 HG22 THR 8 7.302 5.744 2.163
66 HG23 THR 8 HG23 THR 8 5.595 5.401 2.448
67 H SER 9 HN SER 9 6.159 6.811 -0.244
68 HA SER 9 HA SER 9 4.307 5.490 -1.921
69 HB2 SER 9 HB2 SER 9 6.521 4.486 -2.887
70 HB3 SER 9 HB1 SER 9 6.210 6.214 -3.048
71 HG SER 9 HG SER 9 7.821 4.957 -1.077
72 H ARG 10 HN ARG 10 6.209 4.430 0.796
73 HA ARG 10 HA ARG 10 4.837 1.879 0.747
74 HB2 ARG 10 HB2 ARG 10 7.025 0.640 1.071
75 HB3 ARG 10 HB1 ARG 10 6.700 1.224 -0.555
76 HG2 ARG 10 HG2 ARG 10 8.079 3.314 0.378
77 HG3 ARG 10 HG1 ARG 10 8.779 2.038 1.376
78 HD2 ARG 10 HD2 ARG 10 8.528 1.820 -1.614
79 HD3 ARG 10 HD1 ARG 10 9.941 2.520 -0.826
80 HE ARG 10 HE ARG 10 9.524 0.048 0.346
81 HH11 ARG 10 HH11 ARG 10 10.260 1.289 -2.832
82 HH12 ARG 10 HH12 ARG 10 11.133 -0.124 -3.318
83 HH21 ARG 10 HH21 ARG 10 10.673 -1.812 -0.293
84 HH22 ARG 10 HH22 ARG 10 11.368 -1.885 -1.878
85 H ASP 11 HN ASP 11 4.084 3.392 2.584
86 HA ASP 11 HA ASP 11 5.821 3.177 4.934
87 HB2 ASP 11 HB2 ASP 11 4.792 5.385 4.387
88 HB3 ASP 11 HB1 ASP 11 3.205 4.669 4.645
89 H CYS 12 HN CYS 12 4.355 0.912 3.710
90 HA CYS 12 HA CYS 12 2.613 0.209 5.979
91 HB2 CYS 12 HB2 CYS 12 2.525 -1.085 3.257
92 HB3 CYS 12 HB1 CYS 12 1.319 -1.163 4.537
93 H ASN 13 HN ASN 13 5.247 -0.816 3.912
94 HA ASN 13 HA ASN 13 6.781 -2.485 4.080
95 HB2 ASN 13 HB2 ASN 13 6.726 -1.344 6.491
96 HB3 ASN 13 HB1 ASN 13 6.158 -2.945 6.955
97 HD21 ASN 13 HD21 ASN 13 8.756 -1.267 7.167
98 HD22 ASN 13 HD22 ASN 13 9.984 -2.419 6.785
99 H TYR 14 HN TYR 14 3.948 -3.152 3.542
100 HA TYR 14 HA TYR 14 3.630 -5.782 4.747
101 HB2 TYR 14 HB2 TYR 14 1.888 -4.307 2.760
102 HB3 TYR 14 HB1 TYR 14 1.483 -5.836 3.531
103 HD1 TYR 14 HD1 TYR 14 2.806 -4.793 6.255
104 HD2 TYR 14 HD2 TYR 14 -0.200 -3.337 3.618
105 HE1 TYR 14 HE1 TYR 14 1.767 -3.575 8.121
106 HE2 TYR 14 HE2 TYR 14 -1.245 -2.114 5.477
107 HH TYR 14 HH TYR 14 -0.183 -1.152 7.878
108 H ILE 15 HN ILE 15 2.881 -7.557 3.162
109 HA ILE 15 HA ILE 15 4.995 -7.859 1.193
110 HB ILE 15 HB ILE 15 2.855 -9.859 1.911
111 HG12 ILE 15 HG12 ILE 15 5.021 -10.784 3.201
112 HG13 ILE 15 HG11 ILE 15 5.350 -9.058 3.314
113 HG21 ILE 15 HG21 ILE 15 4.153 -10.172 -0.208
114 HG22 ILE 15 HG22 ILE 15 4.303 -11.490 0.954
115 HG23 ILE 15 HG23 ILE 15 5.607 -10.316 0.780
116 HD11 ILE 15 HD11 ILE 15 3.772 -10.551 5.010
117 HD12 ILE 15 HD12 ILE 15 2.611 -9.686 4.003
118 HD13 ILE 15 HD13 ILE 15 3.832 -8.791 4.908
119 H ILE 16 HN ILE 16 1.459 -8.337 1.210
120 HA ILE 16 HA ILE 16 1.417 -8.105 -1.688
121 HB ILE 16 HB ILE 16 -0.743 -8.971 -1.677
122 HG12 ILE 16 HG12 ILE 16 -1.853 -7.476 -0.152
123 HG13 ILE 16 HG11 ILE 16 -2.156 -9.123 0.388
124 HG21 ILE 16 HG21 ILE 16 0.859 -10.638 -0.984
125 HG22 ILE 16 HG22 ILE 16 -0.684 -10.920 -0.177
126 HG23 ILE 16 HG23 ILE 16 0.650 -10.178 0.705
127 HD11 ILE 16 HD11 ILE 16 -0.272 -7.113 1.579
128 HD12 ILE 16 HD12 ILE 16 -0.287 -8.819 2.029
129 HD13 ILE 16 HD13 ILE 16 -1.714 -7.820 2.307
130 H TRP 17 HN TRP 17 1.836 -5.797 0.319
131 HA TRP 17 HA TRP 17 0.147 -3.928 -1.127
132 HB2 TRP 17 HB2 TRP 17 0.040 -4.285 1.868
133 HB3 TRP 17 HB1 TRP 17 -0.464 -2.794 1.079
134 HD1 TRP 17 HD1 TRP 17 -2.079 -3.947 -1.356
135 HE1 TRP 17 HE1 TRP 17 -4.310 -5.167 -0.970
136 HE3 TRP 17 HE3 TRP 17 -1.454 -5.251 3.546
137 HZ2 TRP 17 HZ2 TRP 17 -5.631 -6.509 1.135
138 HZ3 TRP 17 HZ3 TRP 17 -3.247 -6.502 4.673
139 HH2 TRP 17 HH2 TRP 17 -5.293 -7.117 3.491
140 H THR 18 HN THR 18 2.100 -3.208 -2.032
141 HA THR 18 HA THR 18 3.797 -1.672 -0.176
142 HB THR 18 HB THR 18 4.983 -2.634 -2.721
143 HG1 THR 18 HG1 THR 18 4.869 -4.660 -2.238
144 HG21 THR 18 HG21 THR 18 5.905 -1.982 0.011
145 HG22 THR 18 HG22 THR 18 6.619 -1.597 -1.555
146 HG23 THR 18 HG23 THR 18 6.793 -3.218 -0.881
147 H VAL 19 HN VAL 19 1.821 -1.603 -2.948
148 HA VAL 19 HA VAL 19 3.040 0.801 -4.042
149 HB VAL 19 HB VAL 19 0.506 -0.578 -4.938
150 HG11 VAL 19 HG11 VAL 19 1.276 0.579 -7.130
151 HG12 VAL 19 HG12 VAL 19 2.213 1.611 -6.051
152 HG13 VAL 19 HG13 VAL 19 0.459 1.531 -5.890
153 HG21 VAL 19 HG21 VAL 19 1.925 -1.583 -6.707
154 HG22 VAL 19 HG22 VAL 19 2.315 -2.160 -5.086
155 HG23 VAL 19 HG23 VAL 19 3.349 -0.965 -5.869
156 H CYS 20 HN CYS 20 2.690 2.464 -2.640
157 HA CYS 20 HA CYS 20 0.035 2.872 -1.538
158 HB2 CYS 20 HB2 CYS 20 2.709 4.157 -1.083
159 HB3 CYS 20 HB1 CYS 20 1.235 4.922 -0.500
160 H ARG 21 HN ARG 21 -1.423 4.245 -2.285
161 HA ARG 21 HA ARG 21 -0.665 6.019 -4.498
162 HB2 ARG 21 HB2 ARG 21 -2.686 4.183 -4.371
163 HB3 ARG 21 HB1 ARG 21 -3.528 5.650 -3.888
164 HG2 ARG 21 HG2 ARG 21 -2.599 6.733 -5.961
165 HG3 ARG 21 HG1 ARG 21 -2.060 5.127 -6.458
166 HD2 ARG 21 HD2 ARG 21 -4.080 5.029 -7.445
167 HD3 ARG 21 HD1 ARG 21 -4.634 4.609 -5.825
168 HE ARG 21 HE ARG 21 -4.685 7.369 -5.980
169 HH11 ARG 21 HH11 ARG 21 -6.221 4.689 -7.602
170 HH12 ARG 21 HH12 ARG 21 -7.667 5.572 -7.961
171 HH21 ARG 21 HH21 ARG 21 -6.585 8.533 -6.451
172 HH22 ARG 21 HH22 ARG 21 -7.873 7.755 -7.309
173 H ASP 22 HN ASP 22 -3.020 7.678 -4.252
174 HA ASP 22 HA ASP 22 -2.076 9.720 -2.646
175 HB2 ASP 22 HB2 ASP 22 -4.777 9.085 -3.777
176 HB3 ASP 22 HB1 ASP 22 -4.603 10.438 -2.664
177 H GLY 23 HN GLY 23 -1.438 8.865 -0.640
178 HA2 GLY 23 HA2 GLY 23 -1.694 8.429 1.597
179 HA3 GLY 23 HA1 GLY 23 -3.304 9.117 1.448
180 H CYS 24 HN CYS 24 -2.393 6.372 -0.490
181 HA CYS 24 HA CYS 24 -3.919 4.611 1.308
182 HB2 CYS 24 HB2 CYS 24 -4.544 5.386 -1.431
183 HB3 CYS 24 HB1 CYS 24 -4.452 3.639 -1.235
184 H CYS 25 HN CYS 25 -3.644 2.269 0.720
185 HA CYS 25 HA CYS 25 -0.943 1.685 -0.310
186 HB2 CYS 25 HB2 CYS 25 -1.345 1.666 2.305
187 HB3 CYS 25 HB1 CYS 25 -2.064 0.097 1.965
188 H ASN 26 HN ASN 26 -0.826 -0.026 -1.665
189 HA ASN 26 HA ASN 26 -2.787 -2.125 -1.645
190 HB2 ASN 26 HB2 ASN 26 -3.423 -1.710 -4.077
191 HB3 ASN 26 HB1 ASN 26 -4.135 -0.625 -2.887
192 HD21 ASN 26 HD21 ASN 26 -4.081 1.435 -3.385
193 HD22 ASN 26 HD22 ASN 26 -2.946 2.203 -4.436
194 H ILE 27 HN ILE 27 -2.420 -3.581 -3.666
195 HA ILE 27 HA ILE 27 0.387 -4.216 -3.688
196 HB ILE 27 HB ILE 27 -1.327 -5.982 -3.571
197 HG12 ILE 27 HG12 ILE 27 -0.368 -7.169 -5.823
198 HG13 ILE 27 HG11 ILE 27 0.805 -5.873 -5.611
199 HG21 ILE 27 HG21 ILE 27 -1.936 -5.764 -6.457
200 HG22 ILE 27 HG22 ILE 27 -2.725 -4.611 -5.380
201 HG23 ILE 27 HG23 ILE 27 -2.936 -6.343 -5.125
202 HD11 ILE 27 HD11 ILE 27 1.238 -6.658 -3.333
203 HD12 ILE 27 HD12 ILE 27 1.566 -7.899 -4.542
204 HD13 ILE 27 HD13 ILE 27 0.089 -7.973 -3.580
205 H SER 28 HN SER 28 -1.943 -2.822 -5.902
206 HA SER 28 HA SER 28 0.243 -2.046 -7.669
207 HB2 SER 28 HB2 SER 28 -1.113 -2.731 -9.680
208 HB3 SER 28 HB1 SER 28 -0.483 -4.075 -8.729
209 HG SER 28 HG SER 28 -3.109 -3.013 -8.533
Start of MODEL 2
1 H1 GLN 1 HT1 GLN 1 -8.019 -5.294 -6.689
2 H2 GLN 1 HT2 GLN 1 -9.194 -4.229 -6.032
3 H3 GLN 1 HT3 GLN 1 -8.621 -5.555 -5.105
4 HA GLN 1 HA GLN 1 -6.365 -4.529 -5.339
5 HB2 GLN 1 HB2 GLN 1 -7.780 -2.854 -7.020
6 HB3 GLN 1 HB1 GLN 1 -7.622 -1.892 -5.557
7 HG2 GLN 1 HG2 GLN 1 -5.107 -2.716 -5.752
8 HG3 GLN 1 HG1 GLN 1 -5.551 -2.824 -7.455
9 HE21 GLN 1 HE21 GLN 1 -3.635 -1.057 -6.316
10 HE22 GLN 1 HE22 GLN 1 -4.184 0.557 -6.596
11 H LEU 2 HN LEU 2 -5.971 -2.428 -3.780
12 HA LEU 2 HA LEU 2 -7.880 -2.549 -1.564
13 HB2 LEU 2 HB2 LEU 2 -5.191 -3.668 -1.585
14 HB3 LEU 2 HB1 LEU 2 -5.414 -2.504 -0.294
15 HG LEU 2 HG LEU 2 -5.906 -4.636 0.614
16 HD11 LEU 2 HD11 LEU 2 -7.510 -2.704 1.061
17 HD12 LEU 2 HD12 LEU 2 -8.064 -4.330 1.460
18 HD13 LEU 2 HD13 LEU 2 -8.628 -3.543 -0.014
19 HD21 LEU 2 HD21 LEU 2 -8.117 -5.306 -1.208
20 HD22 LEU 2 HD22 LEU 2 -6.907 -6.345 -0.453
21 HD23 LEU 2 HD23 LEU 2 -6.498 -5.421 -1.899
22 H CYS 3 HN CYS 3 -7.011 -0.966 0.242
23 HA CYS 3 HA CYS 3 -5.571 1.321 -0.727
24 HB2 CYS 3 HB2 CYS 3 -8.151 1.371 -1.471
25 HB3 CYS 3 HB1 CYS 3 -8.315 2.055 0.143
26 H LEU 4 HN LEU 4 -4.583 0.123 1.239
27 HA LEU 4 HA LEU 4 -5.763 0.742 3.793
28 HB2 LEU 4 HB2 LEU 4 -2.919 -0.126 3.427
29 HB3 LEU 4 HB1 LEU 4 -4.014 -0.469 4.751
30 HG LEU 4 HG LEU 4 -4.122 -1.684 1.985
31 HD11 LEU 4 HD11 LEU 4 -3.836 -3.770 3.549
32 HD12 LEU 4 HD12 LEU 4 -3.104 -2.588 4.633
33 HD13 LEU 4 HD13 LEU 4 -2.436 -2.836 3.020
34 HD21 LEU 4 HD21 LEU 4 -6.061 -1.612 4.219
35 HD22 LEU 4 HD22 LEU 4 -5.811 -3.170 3.429
36 HD23 LEU 4 HD23 LEU 4 -6.330 -1.775 2.483
37 H LEU 5 HN LEU 5 -5.194 2.340 5.204
38 HA LEU 5 HA LEU 5 -4.365 4.790 4.346
39 HB2 LEU 5 HB2 LEU 5 -4.331 3.468 7.018
40 HB3 LEU 5 HB1 LEU 5 -3.559 5.032 6.848
41 HG LEU 5 HG LEU 5 -5.856 5.242 7.667
42 HD11 LEU 5 HD11 LEU 5 -4.789 6.973 6.191
43 HD12 LEU 5 HD12 LEU 5 -6.553 6.982 6.214
44 HD13 LEU 5 HD13 LEU 5 -5.692 6.276 4.846
45 HD21 LEU 5 HD21 LEU 5 -6.557 3.885 5.070
46 HD22 LEU 5 HD22 LEU 5 -7.720 4.745 6.079
47 HD23 LEU 5 HD23 LEU 5 -6.895 3.318 6.705
48 H CYS 6 HN CYS 6 -2.542 5.571 3.548
49 HA CYS 6 HA CYS 6 0.019 4.540 4.553
50 HB2 CYS 6 HB2 CYS 6 -0.626 3.546 2.295
51 HB3 CYS 6 HB1 CYS 6 -0.434 5.166 1.636
52 H GLN 7 HN GLN 7 1.847 6.012 4.117
53 HA GLN 7 HA GLN 7 0.952 8.815 4.005
54 HB2 GLN 7 HB2 GLN 7 3.336 7.747 5.518
55 HB3 GLN 7 HB1 GLN 7 2.719 9.393 5.549
56 HG2 GLN 7 HG2 GLN 7 0.528 7.977 6.314
57 HG3 GLN 7 HG1 GLN 7 1.834 7.018 7.007
58 HE21 GLN 7 HE21 GLN 7 0.996 10.449 6.621
59 HE22 GLN 7 HE22 GLN 7 1.384 10.901 8.242
60 H THR 8 HN THR 8 3.467 6.523 3.106
61 HA THR 8 HA THR 8 4.435 8.482 1.130
62 HB THR 8 HB THR 8 6.666 7.898 1.495
63 HG1 THR 8 HG1 THR 8 5.610 5.534 2.568
64 HG21 THR 8 HG21 THR 8 5.970 9.163 3.405
65 HG22 THR 8 HG22 THR 8 7.094 7.907 3.924
66 HG23 THR 8 HG23 THR 8 5.363 7.710 4.198
67 H SER 9 HN SER 9 6.204 6.798 -0.212
68 HA SER 9 HA SER 9 4.463 5.461 -1.981
69 HB2 SER 9 HB2 SER 9 6.699 4.469 -2.849
70 HB3 SER 9 HB1 SER 9 6.454 6.212 -2.958
71 HG SER 9 HG SER 9 8.197 4.755 -1.371
72 H ARG 10 HN ARG 10 6.153 4.417 0.868
73 HA ARG 10 HA ARG 10 4.751 1.907 0.816
74 HB2 ARG 10 HB2 ARG 10 6.940 0.609 1.143
75 HB3 ARG 10 HB1 ARG 10 6.515 1.095 -0.492
76 HG2 ARG 10 HG2 ARG 10 8.117 2.817 -0.510
77 HG3 ARG 10 HG1 ARG 10 8.349 2.724 1.237
78 HD2 ARG 10 HD2 ARG 10 9.017 0.226 0.615
79 HD3 ARG 10 HD1 ARG 10 9.415 0.991 -0.923
80 HE ARG 10 HE ARG 10 10.503 2.374 1.340
81 HH11 ARG 10 HH11 ARG 10 11.008 -0.261 -0.891
82 HH12 ARG 10 HH12 ARG 10 12.728 -0.266 -0.691
83 HH21 ARG 10 HH21 ARG 10 12.766 2.370 1.604
84 HH22 ARG 10 HH22 ARG 10 13.726 1.227 0.726
85 H ASP 11 HN ASP 11 4.378 3.838 2.605
86 HA ASP 11 HA ASP 11 6.081 3.533 4.910
87 HB2 ASP 11 HB2 ASP 11 4.968 5.680 4.421
88 HB3 ASP 11 HB1 ASP 11 3.399 4.911 4.644
89 H CYS 12 HN CYS 12 3.462 1.835 3.599
90 HA CYS 12 HA CYS 12 2.361 0.878 6.077
91 HB2 CYS 12 HB2 CYS 12 1.146 -0.727 4.526
92 HB3 CYS 12 HB1 CYS 12 0.834 0.983 4.263
93 H ASN 13 HN ASN 13 4.635 -0.264 3.655
94 HA ASN 13 HA ASN 13 6.071 -2.025 3.585
95 HB2 ASN 13 HB2 ASN 13 6.772 -0.795 5.711
96 HB3 ASN 13 HB1 ASN 13 5.914 -2.053 6.596
97 HD21 ASN 13 HD21 ASN 13 8.388 -1.937 7.269
98 HD22 ASN 13 HD22 ASN 13 9.359 -3.157 6.526
99 H TYR 14 HN TYR 14 3.491 -2.825 3.160
100 HA TYR 14 HA TYR 14 2.982 -5.154 4.833
101 HB2 TYR 14 HB2 TYR 14 1.459 -3.715 2.695
102 HB3 TYR 14 HB1 TYR 14 1.042 -5.383 3.070
103 HD1 TYR 14 HD1 TYR 14 0.013 -2.214 3.653
104 HD2 TYR 14 HD2 TYR 14 1.091 -5.689 5.855
105 HE1 TYR 14 HE1 TYR 14 -1.350 -1.430 5.541
106 HE2 TYR 14 HE2 TYR 14 -0.273 -4.918 7.751
107 HH TYR 14 HH TYR 14 -1.414 -1.791 8.042
108 H ILE 15 HN ILE 15 2.061 -7.072 3.290
109 HA ILE 15 HA ILE 15 4.415 -7.910 1.791
110 HB ILE 15 HB ILE 15 2.762 -10.050 1.586
111 HG12 ILE 15 HG12 ILE 15 2.192 -8.989 4.352
112 HG13 ILE 15 HG11 ILE 15 1.070 -8.758 3.017
113 HG21 ILE 15 HG21 ILE 15 5.144 -9.584 2.649
114 HG22 ILE 15 HG22 ILE 15 4.263 -11.085 2.937
115 HG23 ILE 15 HG23 ILE 15 4.234 -9.800 4.145
116 HD11 ILE 15 HD11 ILE 15 1.656 -11.468 2.974
117 HD12 ILE 15 HD12 ILE 15 0.181 -10.706 3.568
118 HD13 ILE 15 HD13 ILE 15 1.500 -11.064 4.683
119 H ILE 16 HN ILE 16 0.903 -8.207 1.210
120 HA ILE 16 HA ILE 16 1.403 -8.157 -1.655
121 HB ILE 16 HB ILE 16 -0.784 -8.932 -1.994
122 HG12 ILE 16 HG12 ILE 16 -1.962 -7.309 -0.542
123 HG13 ILE 16 HG11 ILE 16 -2.550 -8.950 -0.310
124 HG21 ILE 16 HG21 ILE 16 -0.281 -10.262 0.623
125 HG22 ILE 16 HG22 ILE 16 0.912 -10.410 -0.668
126 HG23 ILE 16 HG23 ILE 16 -0.744 -10.961 -0.928
127 HD11 ILE 16 HD11 ILE 16 -2.406 -8.148 1.841
128 HD12 ILE 16 HD12 ILE 16 -0.921 -7.252 1.520
129 HD13 ILE 16 HD13 ILE 16 -0.879 -9.010 1.658
130 H TRP 17 HN TRP 17 1.604 -5.740 0.183
131 HA TRP 17 HA TRP 17 0.148 -3.941 -1.577
132 HB2 TRP 17 HB2 TRP 17 -0.141 -3.859 1.435
133 HB3 TRP 17 HB1 TRP 17 -0.740 -2.632 0.326
134 HD1 TRP 17 HD1 TRP 17 -2.317 -4.091 -1.778
135 HE1 TRP 17 HE1 TRP 17 -4.365 -5.541 -1.233
136 HE3 TRP 17 HE3 TRP 17 -1.341 -5.060 3.144
137 HZ2 TRP 17 HZ2 TRP 17 -5.431 -6.923 0.989
138 HZ3 TRP 17 HZ3 TRP 17 -2.924 -6.455 4.409
139 HH2 TRP 17 HH2 TRP 17 -4.928 -7.366 3.352
140 H THR 18 HN THR 18 2.196 -3.369 -2.359
141 HA THR 18 HA THR 18 3.896 -1.894 -0.459
142 HB THR 18 HB THR 18 4.990 -2.745 -3.087
143 HG1 THR 18 HG1 THR 18 4.547 -4.541 -0.938
144 HG21 THR 18 HG21 THR 18 7.015 -2.857 -2.016
145 HG22 THR 18 HG22 THR 18 6.287 -3.162 -0.439
146 HG23 THR 18 HG23 THR 18 6.221 -1.547 -1.143
147 H VAL 19 HN VAL 19 1.933 -1.632 -3.251
148 HA VAL 19 HA VAL 19 3.182 0.837 -4.156
149 HB VAL 19 HB VAL 19 0.666 -0.468 -5.199
150 HG11 VAL 19 HG11 VAL 19 2.393 1.183 -6.927
151 HG12 VAL 19 HG12 VAL 19 1.519 2.043 -5.659
152 HG13 VAL 19 HG13 VAL 19 0.635 1.079 -6.843
153 HG21 VAL 19 HG21 VAL 19 3.524 -0.800 -6.106
154 HG22 VAL 19 HG22 VAL 19 2.110 -1.379 -6.987
155 HG23 VAL 19 HG23 VAL 19 2.490 -2.040 -5.397
156 H CYS 20 HN CYS 20 2.794 2.469 -2.748
157 HA CYS 20 HA CYS 20 0.141 2.785 -1.612
158 HB2 CYS 20 HB2 CYS 20 2.804 4.052 -1.110
159 HB3 CYS 20 HB1 CYS 20 1.341 4.855 -0.554
160 H ARG 21 HN ARG 21 -1.317 4.265 -2.162
161 HA ARG 21 HA ARG 21 -0.650 6.062 -4.395
162 HB2 ARG 21 HB2 ARG 21 -2.649 4.222 -4.267
163 HB3 ARG 21 HB1 ARG 21 -3.488 5.648 -3.673
164 HG2 ARG 21 HG2 ARG 21 -3.461 6.670 -5.682
165 HG3 ARG 21 HG1 ARG 21 -1.879 6.019 -6.115
166 HD2 ARG 21 HD2 ARG 21 -2.944 4.601 -7.459
167 HD3 ARG 21 HD1 ARG 21 -3.537 3.794 -6.009
168 HE ARG 21 HE ARG 21 -5.036 5.476 -7.799
169 HH11 ARG 21 HH11 ARG 21 -4.855 4.169 -4.567
170 HH12 ARG 21 HH12 ARG 21 -6.552 4.339 -4.269
171 HH21 ARG 21 HH21 ARG 21 -7.268 5.700 -7.408
172 HH22 ARG 21 HH22 ARG 21 -7.922 5.208 -5.882
173 H ASP 22 HN ASP 22 -2.978 7.719 -4.051
174 HA ASP 22 HA ASP 22 -1.987 9.722 -2.411
175 HB2 ASP 22 HB2 ASP 22 -4.670 9.146 -3.595
176 HB3 ASP 22 HB1 ASP 22 -4.538 10.430 -2.396
177 H GLY 23 HN GLY 23 -1.352 8.729 -0.443
178 HA2 GLY 23 HA2 GLY 23 -1.624 8.334 1.803
179 HA3 GLY 23 HA1 GLY 23 -3.262 8.951 1.643
180 H CYS 24 HN CYS 24 -2.169 6.265 -0.296
181 HA CYS 24 HA CYS 24 -3.618 4.406 1.463
182 HB2 CYS 24 HB2 CYS 24 -4.317 5.205 -1.256
183 HB3 CYS 24 HB1 CYS 24 -4.159 3.460 -1.082
184 H CYS 25 HN CYS 25 -3.257 2.093 0.792
185 HA CYS 25 HA CYS 25 -0.612 1.618 -0.385
186 HB2 CYS 25 HB2 CYS 25 -0.178 1.686 1.990
187 HB3 CYS 25 HB1 CYS 25 -1.554 0.645 2.319
188 H ASN 26 HN ASN 26 -0.802 0.129 -1.931
189 HA ASN 26 HA ASN 26 -2.591 -2.141 -1.526
190 HB2 ASN 26 HB2 ASN 26 -3.583 -1.875 -3.774
191 HB3 ASN 26 HB1 ASN 26 -3.978 -0.528 -2.712
192 HD21 ASN 26 HD21 ASN 26 -3.599 1.454 -3.416
193 HD22 ASN 26 HD22 ASN 26 -2.644 1.867 -4.795
194 H ILE 27 HN ILE 27 -2.422 -3.461 -3.816
195 HA ILE 27 HA ILE 27 0.328 -4.298 -3.870
196 HB ILE 27 HB ILE 27 -1.495 -5.944 -3.944
197 HG12 ILE 27 HG12 ILE 27 -0.643 -7.229 -5.973
198 HG13 ILE 27 HG11 ILE 27 0.362 -5.825 -6.320
199 HG21 ILE 27 HG21 ILE 27 -2.793 -6.240 -6.014
200 HG22 ILE 27 HG22 ILE 27 -2.085 -4.756 -6.650
201 HG23 ILE 27 HG23 ILE 27 -3.123 -4.697 -5.226
202 HD11 ILE 27 HD11 ILE 27 1.274 -6.106 -3.963
203 HD12 ILE 27 HD12 ILE 27 1.751 -7.303 -5.167
204 HD13 ILE 27 HD13 ILE 27 0.503 -7.692 -3.983
205 H SER 28 HN SER 28 -1.869 -2.573 -5.993
206 HA SER 28 HA SER 28 0.171 -1.284 -7.415
207 HB2 SER 28 HB2 SER 28 -0.794 -3.855 -8.567
208 HB3 SER 28 HB1 SER 28 -0.553 -2.507 -9.679
209 HG SER 28 HG SER 28 1.379 -3.555 -9.554
Start of MODEL 3
1 H1 GLN 1 HT1 GLN 1 -9.986 -3.400 -5.678
2 H2 GLN 1 HT2 GLN 1 -9.469 -4.995 -5.311
3 H3 GLN 1 HT3 GLN 1 -8.982 -4.248 -6.778
4 HA GLN 1 HA GLN 1 -7.213 -4.264 -5.201
5 HB2 GLN 1 HB2 GLN 1 -8.097 -2.201 -6.754
6 HB3 GLN 1 HB1 GLN 1 -7.975 -1.415 -5.187
7 HG2 GLN 1 HG2 GLN 1 -5.614 -2.619 -5.191
8 HG3 GLN 1 HG1 GLN 1 -5.852 -2.512 -6.935
9 HE21 GLN 1 HE21 GLN 1 -3.773 -1.193 -5.987
10 HE22 GLN 1 HE22 GLN 1 -4.057 0.510 -5.943
11 H LEU 2 HN LEU 2 -6.457 -2.532 -3.383
12 HA LEU 2 HA LEU 2 -8.412 -2.083 -1.328
13 HB2 LEU 2 HB2 LEU 2 -8.142 -4.361 -0.811
14 HB3 LEU 2 HB1 LEU 2 -6.417 -4.316 -1.103
15 HG LEU 2 HG LEU 2 -5.948 -3.393 0.979
16 HD11 LEU 2 HD11 LEU 2 -8.074 -2.617 2.391
17 HD12 LEU 2 HD12 LEU 2 -8.669 -2.253 0.771
18 HD13 LEU 2 HD13 LEU 2 -7.169 -1.523 1.344
19 HD21 LEU 2 HD21 LEU 2 -8.318 -4.742 2.046
20 HD22 LEU 2 HD22 LEU 2 -6.606 -5.064 2.317
21 HD23 LEU 2 HD23 LEU 2 -7.403 -5.690 0.874
22 H CYS 3 HN CYS 3 -7.708 0.037 -1.421
23 HA CYS 3 HA CYS 3 -4.906 0.631 -0.902
24 HB2 CYS 3 HB2 CYS 3 -7.072 1.980 -2.194
25 HB3 CYS 3 HB1 CYS 3 -6.480 2.999 -0.888
26 H LEU 4 HN LEU 4 -4.419 0.215 1.184
27 HA LEU 4 HA LEU 4 -6.206 0.908 3.333
28 HB2 LEU 4 HB2 LEU 4 -3.313 0.154 3.643
29 HB3 LEU 4 HB1 LEU 4 -4.627 -0.085 4.778
30 HG LEU 4 HG LEU 4 -4.557 -1.518 2.132
31 HD11 LEU 4 HD11 LEU 4 -3.025 -2.067 4.613
32 HD12 LEU 4 HD12 LEU 4 -2.611 -2.386 2.929
33 HD13 LEU 4 HD13 LEU 4 -3.753 -3.435 3.770
34 HD21 LEU 4 HD21 LEU 4 -6.035 -3.069 3.249
35 HD22 LEU 4 HD22 LEU 4 -6.680 -1.433 3.388
36 HD23 LEU 4 HD23 LEU 4 -5.870 -2.182 4.764
37 H LEU 5 HN LEU 5 -4.625 1.937 5.294
38 HA LEU 5 HA LEU 5 -4.399 4.681 4.461
39 HB2 LEU 5 HB2 LEU 5 -4.171 3.209 7.048
40 HB3 LEU 5 HB1 LEU 5 -3.502 4.826 6.938
41 HG LEU 5 HG LEU 5 -5.753 5.636 6.198
42 HD11 LEU 5 HD11 LEU 5 -7.622 3.995 6.949
43 HD12 LEU 5 HD12 LEU 5 -6.398 2.758 6.667
44 HD13 LEU 5 HD13 LEU 5 -6.897 3.821 5.351
45 HD21 LEU 5 HD21 LEU 5 -6.365 6.035 8.340
46 HD22 LEU 5 HD22 LEU 5 -4.778 5.340 8.672
47 HD23 LEU 5 HD23 LEU 5 -6.225 4.342 8.813
48 H CYS 6 HN CYS 6 -2.633 5.635 3.685
49 HA CYS 6 HA CYS 6 -0.001 4.708 4.569
50 HB2 CYS 6 HB2 CYS 6 -0.636 3.577 2.391
51 HB3 CYS 6 HB1 CYS 6 -0.592 5.171 1.646
52 H GLN 7 HN GLN 7 1.733 6.224 4.089
53 HA GLN 7 HA GLN 7 0.753 8.981 3.747
54 HB2 GLN 7 HB2 GLN 7 3.105 8.194 5.462
55 HB3 GLN 7 HB1 GLN 7 2.300 9.756 5.389
56 HG2 GLN 7 HG2 GLN 7 0.247 8.136 6.113
57 HG3 GLN 7 HG1 GLN 7 1.612 7.345 6.900
58 HE21 GLN 7 HE21 GLN 7 2.165 8.073 8.824
59 HE22 GLN 7 HE22 GLN 7 1.753 9.615 9.485
60 H THR 8 HN THR 8 3.380 6.706 3.206
61 HA THR 8 HA THR 8 4.524 8.584 1.243
62 HB THR 8 HB THR 8 6.692 7.717 1.679
63 HG1 THR 8 HG1 THR 8 7.013 5.782 2.415
64 HG21 THR 8 HG21 THR 8 5.708 7.614 4.473
65 HG22 THR 8 HG22 THR 8 5.505 9.113 3.566
66 HG23 THR 8 HG23 THR 8 7.115 8.431 3.793
67 H SER 9 HN SER 9 6.252 6.780 -0.014
68 HA SER 9 HA SER 9 4.471 5.537 -1.851
69 HB2 SER 9 HB2 SER 9 7.455 5.094 -1.626
70 HB3 SER 9 HB1 SER 9 6.444 4.862 -3.052
71 HG SER 9 HG SER 9 7.454 7.196 -1.943
72 H ARG 10 HN ARG 10 6.205 4.437 0.957
73 HA ARG 10 HA ARG 10 4.812 1.906 0.821
74 HB2 ARG 10 HB2 ARG 10 7.022 0.674 1.284
75 HB3 ARG 10 HB1 ARG 10 6.674 1.149 -0.373
76 HG2 ARG 10 HG2 ARG 10 8.280 2.807 -0.377
77 HG3 ARG 10 HG1 ARG 10 8.284 2.949 1.382
78 HD2 ARG 10 HD2 ARG 10 9.277 0.531 -0.117
79 HD3 ARG 10 HD1 ARG 10 10.315 1.853 0.415
80 HE ARG 10 HE ARG 10 9.060 1.108 2.689
81 HH11 ARG 10 HH11 ARG 10 10.841 -0.660 0.263
82 HH12 ARG 10 HH12 ARG 10 11.405 -1.862 1.374
83 HH21 ARG 10 HH21 ARG 10 9.802 -0.472 4.152
84 HH22 ARG 10 HH22 ARG 10 10.815 -1.756 3.582
85 H ASP 11 HN ASP 11 4.025 3.454 2.621
86 HA ASP 11 HA ASP 11 5.643 3.233 5.046
87 HB2 ASP 11 HB2 ASP 11 4.484 5.400 4.316
88 HB3 ASP 11 HB1 ASP 11 2.980 4.624 4.804
89 H CYS 12 HN CYS 12 4.242 0.953 3.751
90 HA CYS 12 HA CYS 12 2.512 0.179 6.004
91 HB2 CYS 12 HB2 CYS 12 1.755 -1.526 4.015
92 HB3 CYS 12 HB1 CYS 12 0.926 -0.027 4.409
93 H ASN 13 HN ASN 13 5.231 -0.608 4.032
94 HA ASN 13 HA ASN 13 6.665 -2.373 3.947
95 HB2 ASN 13 HB2 ASN 13 7.532 -3.068 6.085
96 HB3 ASN 13 HB1 ASN 13 7.149 -1.352 6.167
97 HD21 ASN 13 HD21 ASN 13 5.953 -0.678 7.800
98 HD22 ASN 13 HD22 ASN 13 5.019 -1.684 8.850
99 H TYR 14 HN TYR 14 3.828 -3.042 3.509
100 HA TYR 14 HA TYR 14 3.580 -5.712 4.646
101 HB2 TYR 14 HB2 TYR 14 1.740 -4.174 2.800
102 HB3 TYR 14 HB1 TYR 14 1.387 -5.752 3.492
103 HD1 TYR 14 HD1 TYR 14 -0.192 -3.106 3.759
104 HD2 TYR 14 HD2 TYR 14 2.665 -5.034 6.254
105 HE1 TYR 14 HE1 TYR 14 -1.177 -2.009 5.725
106 HE2 TYR 14 HE2 TYR 14 1.686 -3.942 8.227
107 HH TYR 14 HH TYR 14 -0.530 -1.374 7.998
108 H ILE 15 HN ILE 15 2.925 -7.504 3.125
109 HA ILE 15 HA ILE 15 4.871 -7.608 0.964
110 HB ILE 15 HB ILE 15 3.049 -9.821 1.901
111 HG12 ILE 15 HG12 ILE 15 5.413 -10.490 2.972
112 HG13 ILE 15 HG11 ILE 15 5.575 -8.738 3.037
113 HG21 ILE 15 HG21 ILE 15 4.696 -11.284 0.871
114 HG22 ILE 15 HG22 ILE 15 5.664 -9.887 0.402
115 HG23 ILE 15 HG23 ILE 15 4.067 -10.130 -0.306
116 HD11 ILE 15 HD11 ILE 15 4.416 -8.755 4.915
117 HD12 ILE 15 HD12 ILE 15 4.113 -10.485 4.755
118 HD13 ILE 15 HD13 ILE 15 3.013 -9.324 4.011
119 H ILE 16 HN ILE 16 1.381 -8.109 1.415
120 HA ILE 16 HA ILE 16 0.970 -8.274 -1.454
121 HB ILE 16 HB ILE 16 -0.296 -9.749 0.062
122 HG12 ILE 16 HG12 ILE 16 -2.387 -9.580 -1.052
123 HG13 ILE 16 HG11 ILE 16 -2.224 -7.842 -1.264
124 HG21 ILE 16 HG21 ILE 16 -2.124 -7.609 0.925
125 HG22 ILE 16 HG22 ILE 16 -0.537 -7.622 1.694
126 HG23 ILE 16 HG23 ILE 16 -1.570 -9.049 1.780
127 HD11 ILE 16 HD11 ILE 16 -0.552 -9.936 -2.633
128 HD12 ILE 16 HD12 ILE 16 -0.438 -8.193 -2.872
129 HD13 ILE 16 HD13 ILE 16 -1.899 -9.055 -3.352
130 H TRP 17 HN TRP 17 1.597 -5.739 0.401
131 HA TRP 17 HA TRP 17 0.141 -3.924 -1.308
132 HB2 TRP 17 HB2 TRP 17 -0.314 -3.966 1.681
133 HB3 TRP 17 HB1 TRP 17 -0.760 -2.620 0.641
134 HD1 TRP 17 HD1 TRP 17 -2.322 -3.735 -1.646
135 HE1 TRP 17 HE1 TRP 17 -4.469 -5.122 -1.360
136 HE3 TRP 17 HE3 TRP 17 -1.637 -5.313 3.166
137 HZ2 TRP 17 HZ2 TRP 17 -5.706 -6.685 0.638
138 HZ3 TRP 17 HZ3 TRP 17 -3.348 -6.752 4.192
139 HH2 TRP 17 HH2 TRP 17 -5.342 -7.422 2.952
140 H THR 18 HN THR 18 2.136 -3.227 -2.025
141 HA THR 18 HA THR 18 3.745 -1.747 -0.050
142 HB THR 18 HB THR 18 5.750 -2.343 -1.192
143 HG1 THR 18 HG1 THR 18 5.127 -2.279 -3.315
144 HG21 THR 18 HG21 THR 18 5.757 -4.278 -0.128
145 HG22 THR 18 HG22 THR 18 5.025 -5.012 -1.555
146 HG23 THR 18 HG23 THR 18 4.003 -4.409 -0.250
147 H VAL 19 HN VAL 19 1.977 -1.604 -2.966
148 HA VAL 19 HA VAL 19 3.331 0.783 -3.935
149 HB VAL 19 HB VAL 19 0.841 -0.514 -5.047
150 HG11 VAL 19 HG11 VAL 19 1.886 0.620 -7.159
151 HG12 VAL 19 HG12 VAL 19 2.689 1.639 -5.965
152 HG13 VAL 19 HG13 VAL 19 0.928 1.567 -6.021
153 HG21 VAL 19 HG21 VAL 19 2.308 -1.628 -6.657
154 HG22 VAL 19 HG22 VAL 19 2.666 -2.134 -5.006
155 HG23 VAL 19 HG23 VAL 19 3.719 -0.979 -5.823
156 H CYS 20 HN CYS 20 2.895 2.493 -2.627
157 HA CYS 20 HA CYS 20 0.186 2.901 -1.672
158 HB2 CYS 20 HB2 CYS 20 2.824 4.196 -1.083
159 HB3 CYS 20 HB1 CYS 20 1.321 4.978 -0.608
160 H ARG 21 HN ARG 21 -1.216 4.350 -2.383
161 HA ARG 21 HA ARG 21 -0.344 6.204 -4.497
162 HB2 ARG 21 HB2 ARG 21 -3.115 5.034 -4.204
163 HB3 ARG 21 HB1 ARG 21 -2.485 5.961 -5.558
164 HG2 ARG 21 HG2 ARG 21 -1.107 4.184 -6.263
165 HG3 ARG 21 HG1 ARG 21 -1.352 3.299 -4.757
166 HD2 ARG 21 HD2 ARG 21 -3.431 2.567 -5.364
167 HD3 ARG 21 HD1 ARG 21 -3.744 3.969 -6.386
168 HE ARG 21 HE ARG 21 -2.720 1.483 -7.228
169 HH11 ARG 21 HH11 ARG 21 -2.277 4.906 -7.745
170 HH12 ARG 21 HH12 ARG 21 -1.694 4.714 -9.364
171 HH21 ARG 21 HH21 ARG 21 -1.952 1.228 -9.357
172 HH22 ARG 21 HH22 ARG 21 -1.510 2.626 -10.280
173 H ASP 22 HN ASP 22 -3.103 7.402 -4.414
174 HA ASP 22 HA ASP 22 -2.699 9.625 -2.923
175 HB2 ASP 22 HB2 ASP 22 -5.179 8.210 -3.786
176 HB3 ASP 22 HB1 ASP 22 -5.336 9.566 -2.674
177 H GLY 23 HN GLY 23 -1.667 9.127 -0.963
178 HA2 GLY 23 HA2 GLY 23 -1.515 8.650 1.276
179 HA3 GLY 23 HA1 GLY 23 -3.176 9.215 1.333
180 H CYS 24 HN CYS 24 -2.380 6.377 -0.539
181 HA CYS 24 HA CYS 24 -3.368 4.678 1.642
182 HB2 CYS 24 HB2 CYS 24 -4.829 3.458 0.098
183 HB3 CYS 24 HB1 CYS 24 -5.285 5.154 0.209
184 H CYS 25 HN CYS 25 -3.052 2.338 1.218
185 HA CYS 25 HA CYS 25 -0.580 1.859 -0.325
186 HB2 CYS 25 HB2 CYS 25 -0.141 1.756 2.075
187 HB3 CYS 25 HB1 CYS 25 -1.455 0.605 2.287
188 H ASN 26 HN ASN 26 -0.668 0.326 -1.837
189 HA ASN 26 HA ASN 26 -2.653 -1.806 -1.624
190 HB2 ASN 26 HB2 ASN 26 -3.181 -1.431 -4.107
191 HB3 ASN 26 HB1 ASN 26 -3.898 -0.312 -2.952
192 HD21 ASN 26 HD21 ASN 26 -1.853 -0.676 -5.647
193 HD22 ASN 26 HD22 ASN 26 -1.397 0.981 -5.820
194 H ILE 27 HN ILE 27 -2.342 -3.201 -3.824
195 HA ILE 27 HA ILE 27 0.414 -4.085 -3.675
196 HB ILE 27 HB ILE 27 -1.398 -5.743 -3.602
197 HG12 ILE 27 HG12 ILE 27 -0.491 -7.282 -5.327
198 HG13 ILE 27 HG11 ILE 27 0.358 -5.925 -6.061
199 HG21 ILE 27 HG21 ILE 27 -1.973 -4.812 -6.410
200 HG22 ILE 27 HG22 ILE 27 -3.030 -4.660 -5.007
201 HG23 ILE 27 HG23 ILE 27 -2.661 -6.255 -5.664
202 HD11 ILE 27 HD11 ILE 27 0.976 -6.089 -3.264
203 HD12 ILE 27 HD12 ILE 27 2.051 -6.163 -4.660
204 HD13 ILE 27 HD13 ILE 27 1.281 -7.632 -4.061
205 H SER 28 HN SER 28 -1.772 -2.639 -6.014
206 HA SER 28 HA SER 28 0.407 -1.644 -7.571
207 HB2 SER 28 HB2 SER 28 -1.400 -3.559 -9.039
208 HB3 SER 28 HB1 SER 28 0.123 -2.855 -9.581
209 HG SER 28 HG SER 28 -0.292 -5.138 -8.239
Start of MODEL 4
1 H1 GLN 1 HT1 GLN 1 -8.628 -5.107 -6.430
2 H2 GLN 1 HT2 GLN 1 -9.696 -4.222 -5.419
3 H3 GLN 1 HT3 GLN 1 -8.991 -5.683 -4.857
4 HA GLN 1 HA GLN 1 -6.830 -4.700 -4.945
5 HB2 GLN 1 HB2 GLN 1 -7.988 -2.988 -6.728
6 HB3 GLN 1 HB1 GLN 1 -7.916 -1.979 -5.289
7 HG2 GLN 1 HG2 GLN 1 -5.421 -3.043 -5.314
8 HG3 GLN 1 HG1 GLN 1 -5.770 -2.932 -7.038
9 HE21 GLN 1 HE21 GLN 1 -3.757 -1.452 -6.066
10 HE22 GLN 1 HE22 GLN 1 -4.189 0.220 -6.016
11 H LEU 2 HN LEU 2 -6.086 -2.981 -3.297
12 HA LEU 2 HA LEU 2 -8.095 -2.643 -1.178
13 HB2 LEU 2 HB2 LEU 2 -6.265 -4.591 -1.000
14 HB3 LEU 2 HB1 LEU 2 -5.309 -3.267 -0.365
15 HG LEU 2 HG LEU 2 -6.190 -4.163 1.560
16 HD11 LEU 2 HD11 LEU 2 -8.425 -2.279 0.859
17 HD12 LEU 2 HD12 LEU 2 -6.800 -1.735 1.280
18 HD13 LEU 2 HD13 LEU 2 -7.760 -2.638 2.452
19 HD21 LEU 2 HD21 LEU 2 -8.848 -4.631 1.457
20 HD22 LEU 2 HD22 LEU 2 -7.616 -5.848 1.125
21 HD23 LEU 2 HD23 LEU 2 -8.390 -4.991 -0.208
22 H CYS 3 HN CYS 3 -8.099 -0.688 -0.241
23 HA CYS 3 HA CYS 3 -5.847 1.120 -0.835
24 HB2 CYS 3 HB2 CYS 3 -8.377 1.455 -1.731
25 HB3 CYS 3 HB1 CYS 3 -8.485 2.301 -0.192
26 H LEU 4 HN LEU 4 -4.729 0.706 1.077
27 HA LEU 4 HA LEU 4 -6.127 1.280 3.593
28 HB2 LEU 4 HB2 LEU 4 -3.293 0.336 3.457
29 HB3 LEU 4 HB1 LEU 4 -4.484 0.084 4.716
30 HG LEU 4 HG LEU 4 -4.895 -1.189 2.039
31 HD11 LEU 4 HD11 LEU 4 -2.522 -1.568 3.208
32 HD12 LEU 4 HD12 LEU 4 -3.383 -2.842 2.343
33 HD13 LEU 4 HD13 LEU 4 -3.473 -2.754 4.102
34 HD21 LEU 4 HD21 LEU 4 -5.650 -1.854 4.879
35 HD22 LEU 4 HD22 LEU 4 -5.934 -2.925 3.507
36 HD23 LEU 4 HD23 LEU 4 -6.719 -1.348 3.570
37 H LEU 5 HN LEU 5 -5.584 2.969 4.901
38 HA LEU 5 HA LEU 5 -4.573 5.305 3.878
39 HB2 LEU 5 HB2 LEU 5 -4.833 4.254 6.663
40 HB3 LEU 5 HB1 LEU 5 -4.011 5.780 6.399
41 HG LEU 5 HG LEU 5 -6.208 6.342 5.035
42 HD11 LEU 5 HD11 LEU 5 -8.171 5.368 6.234
43 HD12 LEU 5 HD12 LEU 5 -7.072 4.200 6.966
44 HD13 LEU 5 HD13 LEU 5 -7.293 4.227 5.216
45 HD21 LEU 5 HD21 LEU 5 -5.218 7.384 7.153
46 HD22 LEU 5 HD22 LEU 5 -6.365 6.372 8.031
47 HD23 LEU 5 HD23 LEU 5 -6.950 7.572 6.879
48 H CYS 6 HN CYS 6 -2.631 5.957 3.247
49 HA CYS 6 HA CYS 6 -0.255 4.756 4.503
50 HB2 CYS 6 HB2 CYS 6 -0.780 3.890 2.156
51 HB3 CYS 6 HB1 CYS 6 -0.378 5.506 1.584
52 H GLN 7 HN GLN 7 1.717 6.091 4.270
53 HA GLN 7 HA GLN 7 1.028 8.956 4.281
54 HB2 GLN 7 HB2 GLN 7 3.219 7.513 5.779
55 HB3 GLN 7 HB1 GLN 7 2.952 9.250 5.807
56 HG2 GLN 7 HG2 GLN 7 0.799 7.339 6.624
57 HG3 GLN 7 HG1 GLN 7 2.060 7.839 7.750
58 HE21 GLN 7 HE21 GLN 7 2.251 10.093 8.238
59 HE22 GLN 7 HE22 GLN 7 0.868 11.123 8.134
60 H THR 8 HN THR 8 3.286 6.539 3.124
61 HA THR 8 HA THR 8 4.377 8.544 1.277
62 HB THR 8 HB THR 8 5.985 8.164 3.132
63 HG1 THR 8 HG1 THR 8 6.746 8.663 1.032
64 HG21 THR 8 HG21 THR 8 7.169 5.753 2.490
65 HG22 THR 8 HG22 THR 8 5.445 5.386 2.558
66 HG23 THR 8 HG23 THR 8 6.246 6.122 3.946
67 H SER 9 HN SER 9 6.147 6.845 -0.066
68 HA SER 9 HA SER 9 4.382 5.539 -1.850
69 HB2 SER 9 HB2 SER 9 6.291 5.019 -3.134
70 HB3 SER 9 HB1 SER 9 6.703 6.537 -2.337
71 HG SER 9 HG SER 9 7.964 5.420 -0.888
72 H ARG 10 HN ARG 10 6.196 4.455 0.922
73 HA ARG 10 HA ARG 10 4.832 1.903 0.804
74 HB2 ARG 10 HB2 ARG 10 7.058 0.697 1.208
75 HB3 ARG 10 HB1 ARG 10 6.693 1.203 -0.436
76 HG2 ARG 10 HG2 ARG 10 8.120 3.175 -0.132
77 HG3 ARG 10 HG1 ARG 10 8.507 2.628 1.500
78 HD2 ARG 10 HD2 ARG 10 10.291 1.736 0.413
79 HD3 ARG 10 HD1 ARG 10 9.150 0.412 0.178
80 HE ARG 10 HE ARG 10 8.949 2.273 -1.942
81 HH11 ARG 10 HH11 ARG 10 11.025 -0.243 -0.701
82 HH12 ARG 10 HH12 ARG 10 11.676 -0.644 -2.254
83 HH21 ARG 10 HH21 ARG 10 9.804 1.746 -3.986
84 HH22 ARG 10 HH22 ARG 10 10.984 0.484 -4.119
85 H ASP 11 HN ASP 11 4.016 3.353 2.643
86 HA ASP 11 HA ASP 11 5.704 3.153 5.029
87 HB2 ASP 11 HB2 ASP 11 4.306 5.263 4.222
88 HB3 ASP 11 HB1 ASP 11 3.016 4.445 5.098
89 H CYS 12 HN CYS 12 4.331 0.863 3.741
90 HA CYS 12 HA CYS 12 2.605 0.060 5.988
91 HB2 CYS 12 HB2 CYS 12 2.481 -1.157 3.235
92 HB3 CYS 12 HB1 CYS 12 1.282 -1.238 4.522
93 H ASN 13 HN ASN 13 5.189 -0.872 3.810
94 HA ASN 13 HA ASN 13 6.753 -2.518 3.887
95 HB2 ASN 13 HB2 ASN 13 6.742 -1.459 6.338
96 HB3 ASN 13 HB1 ASN 13 6.218 -3.086 6.759
97 HD21 ASN 13 HD21 ASN 13 8.690 -1.719 7.416
98 HD22 ASN 13 HD22 ASN 13 9.968 -2.695 6.784
99 H TYR 14 HN TYR 14 3.884 -3.206 3.447
100 HA TYR 14 HA TYR 14 3.684 -5.894 4.546
101 HB2 TYR 14 HB2 TYR 14 1.804 -4.382 2.720
102 HB3 TYR 14 HB1 TYR 14 1.475 -5.946 3.457
103 HD1 TYR 14 HD1 TYR 14 2.847 -5.092 6.163
104 HD2 TYR 14 HD2 TYR 14 -0.164 -3.365 3.702
105 HE1 TYR 14 HE1 TYR 14 1.896 -3.962 8.129
106 HE2 TYR 14 HE2 TYR 14 -1.122 -2.230 5.661
107 HH TYR 14 HH TYR 14 0.473 -1.863 8.537
108 H ILE 15 HN ILE 15 3.008 -7.664 3.000
109 HA ILE 15 HA ILE 15 4.967 -7.786 0.868
110 HB ILE 15 HB ILE 15 2.980 -9.915 1.658
111 HG12 ILE 15 HG12 ILE 15 4.293 -9.276 3.618
112 HG13 ILE 15 HG11 ILE 15 4.790 -10.864 3.041
113 HG21 ILE 15 HG21 ILE 15 3.818 -10.761 -0.257
114 HG22 ILE 15 HG22 ILE 15 5.168 -11.215 0.784
115 HG23 ILE 15 HG23 ILE 15 5.263 -9.753 -0.197
116 HD11 ILE 15 HD11 ILE 15 6.647 -9.349 3.735
117 HD12 ILE 15 HD12 ILE 15 6.241 -8.324 2.358
118 HD13 ILE 15 HD13 ILE 15 6.779 -9.983 2.094
119 H ILE 16 HN ILE 16 1.450 -8.250 1.159
120 HA ILE 16 HA ILE 16 1.171 -8.092 -1.733
121 HB ILE 16 HB ILE 16 -1.367 -8.282 -1.030
122 HG12 ILE 16 HG12 ILE 16 -1.730 -9.530 1.000
123 HG13 ILE 16 HG11 ILE 16 -0.002 -9.607 1.321
124 HG21 ILE 16 HG21 ILE 16 -1.225 -10.424 -1.715
125 HG22 ILE 16 HG22 ILE 16 0.076 -10.814 -0.590
126 HG23 ILE 16 HG23 ILE 16 0.433 -9.951 -2.086
127 HD11 ILE 16 HD11 ILE 16 -1.701 -7.839 2.439
128 HD12 ILE 16 HD12 ILE 16 -1.094 -6.902 1.076
129 HD13 ILE 16 HD13 ILE 16 0.032 -7.573 2.253
130 H TRP 17 HN TRP 17 1.704 -5.775 0.352
131 HA TRP 17 HA TRP 17 0.104 -3.855 -1.127
132 HB2 TRP 17 HB2 TRP 17 -0.120 -4.221 1.862
133 HB3 TRP 17 HB1 TRP 17 -0.585 -2.729 1.051
134 HD1 TRP 17 HD1 TRP 17 -2.157 -3.784 -1.410
135 HE1 TRP 17 HE1 TRP 17 -4.381 -5.036 -1.130
136 HE3 TRP 17 HE3 TRP 17 -1.624 -5.305 3.438
137 HZ2 TRP 17 HZ2 TRP 17 -5.743 -6.473 0.885
138 HZ3 TRP 17 HZ3 TRP 17 -3.436 -6.610 4.472
139 HH2 TRP 17 HH2 TRP 17 -5.452 -7.182 3.220
140 H THR 18 HN THR 18 2.093 -3.165 -1.953
141 HA THR 18 HA THR 18 3.753 -1.674 -0.029
142 HB THR 18 HB THR 18 4.987 -3.622 -0.779
143 HG1 THR 18 HG1 THR 18 6.195 -1.729 -0.555
144 HG21 THR 18 HG21 THR 18 5.485 -4.148 -3.005
145 HG22 THR 18 HG22 THR 18 4.836 -2.619 -3.599
146 HG23 THR 18 HG23 THR 18 3.746 -3.856 -2.972
147 H VAL 19 HN VAL 19 1.906 -1.578 -2.898
148 HA VAL 19 HA VAL 19 3.199 0.820 -3.914
149 HB VAL 19 HB VAL 19 0.705 -0.534 -4.948
150 HG11 VAL 19 HG11 VAL 19 0.627 1.435 -6.053
151 HG12 VAL 19 HG12 VAL 19 1.830 0.655 -7.079
152 HG13 VAL 19 HG13 VAL 19 2.342 1.765 -5.808
153 HG21 VAL 19 HG21 VAL 19 2.534 -2.118 -4.994
154 HG22 VAL 19 HG22 VAL 19 3.582 -0.927 -5.763
155 HG23 VAL 19 HG23 VAL 19 2.186 -1.565 -6.632
156 H CYS 20 HN CYS 20 2.790 2.485 -2.533
157 HA CYS 20 HA CYS 20 0.088 2.904 -1.558
158 HB2 CYS 20 HB2 CYS 20 2.747 4.159 -0.967
159 HB3 CYS 20 HB1 CYS 20 1.258 4.953 -0.469
160 H ARG 21 HN ARG 21 -1.304 4.377 -2.266
161 HA ARG 21 HA ARG 21 -0.463 6.092 -4.500
162 HB2 ARG 21 HB2 ARG 21 -2.640 4.353 -4.224
163 HB3 ARG 21 HB1 ARG 21 -3.331 5.961 -4.054
164 HG2 ARG 21 HG2 ARG 21 -1.464 5.826 -6.262
165 HG3 ARG 21 HG1 ARG 21 -2.758 4.636 -6.417
166 HD2 ARG 21 HD2 ARG 21 -3.904 6.343 -7.324
167 HD3 ARG 21 HD1 ARG 21 -4.161 6.823 -5.647
168 HE ARG 21 HE ARG 21 -1.828 8.033 -6.279
169 HH11 ARG 21 HH11 ARG 21 -4.966 7.968 -7.806
170 HH12 ARG 21 HH12 ARG 21 -4.807 9.554 -8.483
171 HH21 ARG 21 HH21 ARG 21 -1.618 10.119 -7.168
172 HH22 ARG 21 HH22 ARG 21 -2.907 10.775 -8.122
173 H ASP 22 HN ASP 22 -2.740 7.841 -4.322
174 HA ASP 22 HA ASP 22 -1.757 9.854 -2.690
175 HB2 ASP 22 HB2 ASP 22 -3.712 9.736 -4.548
176 HB3 ASP 22 HB1 ASP 22 -4.695 9.812 -3.089
177 H GLY 23 HN GLY 23 -1.249 8.895 -0.670
178 HA2 GLY 23 HA2 GLY 23 -1.634 8.551 1.567
179 HA3 GLY 23 HA1 GLY 23 -3.227 9.252 1.324
180 H CYS 24 HN CYS 24 -2.202 6.468 -0.512
181 HA CYS 24 HA CYS 24 -3.831 4.733 1.217
182 HB2 CYS 24 HB2 CYS 24 -4.508 5.607 -1.410
183 HB3 CYS 24 HB1 CYS 24 -4.168 3.881 -1.478
184 H CYS 25 HN CYS 25 -3.578 2.385 0.589
185 HA CYS 25 HA CYS 25 -0.848 1.766 -0.328
186 HB2 CYS 25 HB2 CYS 25 -1.284 1.763 2.259
187 HB3 CYS 25 HB1 CYS 25 -2.096 0.238 1.931
188 H ASN 26 HN ASN 26 -0.737 0.103 -1.728
189 HA ASN 26 HA ASN 26 -2.774 -1.948 -1.771
190 HB2 ASN 26 HB2 ASN 26 -3.407 -1.587 -4.110
191 HB3 ASN 26 HB1 ASN 26 -3.809 -0.181 -3.129
192 HD21 ASN 26 HD21 ASN 26 -2.853 1.745 -3.543
193 HD22 ASN 26 HD22 ASN 26 -1.775 2.020 -4.865
194 H ILE 27 HN ILE 27 -2.324 -3.324 -3.930
195 HA ILE 27 HA ILE 27 0.441 -4.153 -3.658
196 HB ILE 27 HB ILE 27 -1.340 -5.845 -3.637
197 HG12 ILE 27 HG12 ILE 27 -0.332 -7.383 -5.311
198 HG13 ILE 27 HG11 ILE 27 0.527 -6.015 -6.012
199 HG21 ILE 27 HG21 ILE 27 -2.933 -4.812 -5.122
200 HG22 ILE 27 HG22 ILE 27 -2.507 -6.408 -5.740
201 HG23 ILE 27 HG23 ILE 27 -1.816 -4.963 -6.479
202 HD11 ILE 27 HD11 ILE 27 1.068 -6.058 -3.231
203 HD12 ILE 27 HD12 ILE 27 2.175 -6.321 -4.579
204 HD13 ILE 27 HD13 ILE 27 1.308 -7.684 -3.870
205 H SER 28 HN SER 28 -1.676 -2.732 -6.067
206 HA SER 28 HA SER 28 0.410 -1.556 -7.521
207 HB2 SER 28 HB2 SER 28 -0.008 -2.968 -9.669
208 HB3 SER 28 HB1 SER 28 1.087 -3.597 -8.439
209 HG SER 28 HG SER 28 -0.354 -5.089 -7.887
Start of MODEL 5
1 H1 GLN 1 HT1 GLN 1 -7.878 -5.013 -5.154
2 H2 GLN 1 HT2 GLN 1 -7.180 -4.715 -6.694
3 H3 GLN 1 HT3 GLN 1 -8.587 -3.861 -6.207
4 HA GLN 1 HA GLN 1 -5.850 -3.629 -5.172
5 HB2 GLN 1 HB2 GLN 1 -7.787 -1.921 -6.699
6 HB3 GLN 1 HB1 GLN 1 -6.539 -1.164 -5.717
7 HG2 GLN 1 HG2 GLN 1 -5.093 -2.989 -7.120
8 HG3 GLN 1 HG1 GLN 1 -6.340 -2.547 -8.286
9 HE21 GLN 1 HE21 GLN 1 -3.874 -1.227 -6.142
10 HE22 GLN 1 HE22 GLN 1 -3.559 0.190 -7.078
11 H LEU 2 HN LEU 2 -5.538 -2.781 -3.181
12 HA LEU 2 HA LEU 2 -7.908 -2.446 -1.501
13 HB2 LEU 2 HB2 LEU 2 -5.289 -3.522 -1.108
14 HB3 LEU 2 HB1 LEU 2 -5.517 -2.191 0.010
15 HG LEU 2 HG LEU 2 -6.144 -4.269 1.071
16 HD11 LEU 2 HD11 LEU 2 -8.298 -2.304 0.442
17 HD12 LEU 2 HD12 LEU 2 -7.438 -2.585 1.955
18 HD13 LEU 2 HD13 LEU 2 -8.665 -3.729 1.413
19 HD21 LEU 2 HD21 LEU 2 -6.737 -5.795 -0.532
20 HD22 LEU 2 HD22 LEU 2 -7.726 -4.639 -1.424
21 HD23 LEU 2 HD23 LEU 2 -8.327 -5.338 0.080
22 H CYS 3 HN CYS 3 -6.948 -0.836 0.494
23 HA CYS 3 HA CYS 3 -5.850 1.596 -0.569
24 HB2 CYS 3 HB2 CYS 3 -8.458 1.414 -1.086
25 HB3 CYS 3 HB1 CYS 3 -8.574 1.988 0.573
26 H LEU 4 HN LEU 4 -4.626 0.351 1.305
27 HA LEU 4 HA LEU 4 -5.590 0.954 3.955
28 HB2 LEU 4 HB2 LEU 4 -2.773 0.144 3.327
29 HB3 LEU 4 HB1 LEU 4 -3.724 -0.202 4.758
30 HG LEU 4 HG LEU 4 -4.018 -1.471 2.035
31 HD11 LEU 4 HD11 LEU 4 -3.714 -3.500 3.730
32 HD12 LEU 4 HD12 LEU 4 -2.827 -2.267 4.626
33 HD13 LEU 4 HD13 LEU 4 -2.346 -2.677 2.980
34 HD21 LEU 4 HD21 LEU 4 -5.728 -1.755 4.502
35 HD22 LEU 4 HD22 LEU 4 -5.776 -2.853 3.122
36 HD23 LEU 4 HD23 LEU 4 -6.228 -1.160 2.918
37 H LEU 5 HN LEU 5 -5.322 2.808 5.003
38 HA LEU 5 HA LEU 5 -4.243 5.106 3.964
39 HB2 LEU 5 HB2 LEU 5 -4.792 4.195 6.753
40 HB3 LEU 5 HB1 LEU 5 -3.950 5.714 6.507
41 HG LEU 5 HG LEU 5 -6.637 5.083 5.290
42 HD11 LEU 5 HD11 LEU 5 -7.089 5.106 7.577
43 HD12 LEU 5 HD12 LEU 5 -7.404 6.764 7.066
44 HD13 LEU 5 HD13 LEU 5 -5.899 6.368 7.896
45 HD21 LEU 5 HD21 LEU 5 -6.516 7.740 5.382
46 HD22 LEU 5 HD22 LEU 5 -5.896 6.811 4.017
47 HD23 LEU 5 HD23 LEU 5 -4.790 7.399 5.258
48 H CYS 6 HN CYS 6 -2.260 5.765 3.499
49 HA CYS 6 HA CYS 6 -0.022 4.970 5.194
50 HB2 CYS 6 HB2 CYS 6 1.285 4.012 3.519
51 HB3 CYS 6 HB1 CYS 6 -0.315 3.364 3.187
52 H GLN 7 HN GLN 7 2.002 6.189 4.573
53 HA GLN 7 HA GLN 7 1.242 8.927 3.831
54 HB2 GLN 7 HB2 GLN 7 3.600 7.928 5.432
55 HB3 GLN 7 HB1 GLN 7 3.291 9.614 5.040
56 HG2 GLN 7 HG2 GLN 7 1.173 8.067 6.438
57 HG3 GLN 7 HG1 GLN 7 2.586 8.592 7.351
58 HE21 GLN 7 HE21 GLN 7 -0.414 9.376 7.030
59 HE22 GLN 7 HE22 GLN 7 -0.349 11.102 7.024
60 H THR 8 HN THR 8 4.278 7.098 3.749
61 HA THR 8 HA THR 8 5.073 8.430 1.319
62 HB THR 8 HB THR 8 7.161 7.205 1.553
63 HG1 THR 8 HG1 THR 8 7.155 5.349 2.491
64 HG21 THR 8 HG21 THR 8 7.406 8.989 2.941
65 HG22 THR 8 HG22 THR 8 7.582 7.673 4.102
66 HG23 THR 8 HG23 THR 8 6.045 8.527 3.962
67 H SER 9 HN SER 9 6.342 6.714 -0.226
68 HA SER 9 HA SER 9 4.300 5.425 -1.673
69 HB2 SER 9 HB2 SER 9 6.480 4.291 -2.738
70 HB3 SER 9 HB1 SER 9 6.022 5.959 -3.081
71 HG SER 9 HG SER 9 7.876 6.481 -2.268
72 H ARG 10 HN ARG 10 6.114 4.390 1.035
73 HA ARG 10 HA ARG 10 4.789 1.835 0.992
74 HB2 ARG 10 HB2 ARG 10 7.014 0.613 1.334
75 HB3 ARG 10 HB1 ARG 10 6.598 1.096 -0.305
76 HG2 ARG 10 HG2 ARG 10 8.001 3.193 0.179
77 HG3 ARG 10 HG1 ARG 10 8.641 2.270 1.540
78 HD2 ARG 10 HD2 ARG 10 9.501 0.587 0.104
79 HD3 ARG 10 HD1 ARG 10 8.624 1.230 -1.284
80 HE ARG 10 HE ARG 10 11.157 2.109 -0.288
81 HH11 ARG 10 HH11 ARG 10 8.285 3.126 -1.990
82 HH12 ARG 10 HH12 ARG 10 9.083 4.421 -2.818
83 HH21 ARG 10 HH21 ARG 10 12.208 3.811 -1.377
84 HH22 ARG 10 HH22 ARG 10 11.310 4.809 -2.471
85 H ASP 11 HN ASP 11 4.155 3.517 2.814
86 HA ASP 11 HA ASP 11 5.887 3.143 5.152
87 HB2 ASP 11 HB2 ASP 11 4.012 5.216 4.283
88 HB3 ASP 11 HB1 ASP 11 3.782 4.744 5.963
89 H CYS 12 HN CYS 12 4.222 1.033 3.970
90 HA CYS 12 HA CYS 12 2.365 0.551 6.202
91 HB2 CYS 12 HB2 CYS 12 2.198 -0.943 3.608
92 HB3 CYS 12 HB1 CYS 12 0.927 -0.584 4.771
93 H ASN 13 HN ASN 13 5.028 -0.705 4.335
94 HA ASN 13 HA ASN 13 6.460 -2.437 4.668
95 HB2 ASN 13 HB2 ASN 13 5.363 -1.931 7.386
96 HB3 ASN 13 HB1 ASN 13 6.242 -3.437 7.139
97 HD21 ASN 13 HD21 ASN 13 8.393 -3.204 6.082
98 HD22 ASN 13 HD22 ASN 13 9.362 -1.851 6.542
99 H TYR 14 HN TYR 14 3.733 -2.928 3.677
100 HA TYR 14 HA TYR 14 3.088 -5.571 4.713
101 HB2 TYR 14 HB2 TYR 14 1.763 -3.731 2.732
102 HB3 TYR 14 HB1 TYR 14 1.254 -5.406 2.913
103 HD1 TYR 14 HD1 TYR 14 0.383 -2.239 3.796
104 HD2 TYR 14 HD2 TYR 14 1.085 -6.017 5.620
105 HE1 TYR 14 HE1 TYR 14 -1.050 -1.586 5.684
106 HE2 TYR 14 HE2 TYR 14 -0.348 -5.376 7.513
107 HH TYR 14 HH TYR 14 -1.195 -2.334 8.231
108 H ILE 15 HN ILE 15 2.674 -7.345 3.129
109 HA ILE 15 HA ILE 15 4.966 -7.583 1.358
110 HB ILE 15 HB ILE 15 2.861 -9.667 1.932
111 HG12 ILE 15 HG12 ILE 15 4.977 -10.464 3.402
112 HG13 ILE 15 HG11 ILE 15 5.172 -8.718 3.532
113 HG21 ILE 15 HG21 ILE 15 4.162 -11.157 0.829
114 HG22 ILE 15 HG22 ILE 15 5.664 -10.356 1.291
115 HG23 ILE 15 HG23 ILE 15 4.683 -9.702 -0.022
116 HD11 ILE 15 HD11 ILE 15 3.726 -8.793 5.205
117 HD12 ILE 15 HD12 ILE 15 3.303 -10.468 4.851
118 HD13 ILE 15 HD13 ILE 15 2.477 -9.153 4.014
119 H ILE 16 HN ILE 16 1.456 -8.151 1.109
120 HA ILE 16 HA ILE 16 1.630 -8.007 -1.791
121 HB ILE 16 HB ILE 16 -0.529 -8.887 -1.912
122 HG12 ILE 16 HG12 ILE 16 -1.688 -7.342 -0.420
123 HG13 ILE 16 HG11 ILE 16 -2.102 -9.001 -0.008
124 HG21 ILE 16 HG21 ILE 16 -0.474 -10.869 -0.587
125 HG22 ILE 16 HG22 ILE 16 0.542 -10.094 0.628
126 HG23 ILE 16 HG23 ILE 16 1.189 -10.431 -0.977
127 HD11 ILE 16 HD11 ILE 16 -0.333 -7.095 1.475
128 HD12 ILE 16 HD12 ILE 16 -0.301 -8.832 1.778
129 HD13 ILE 16 HD13 ILE 16 -1.788 -7.919 2.034
130 H TRP 17 HN TRP 17 1.878 -5.643 0.169
131 HA TRP 17 HA TRP 17 0.227 -3.846 -1.417
132 HB2 TRP 17 HB2 TRP 17 0.079 -4.064 1.591
133 HB3 TRP 17 HB1 TRP 17 -0.457 -2.634 0.711
134 HD1 TRP 17 HD1 TRP 17 -1.982 -3.970 -1.684
135 HE1 TRP 17 HE1 TRP 17 -4.180 -5.237 -1.277
136 HE3 TRP 17 HE3 TRP 17 -1.422 -4.986 3.295
137 HZ2 TRP 17 HZ2 TRP 17 -5.504 -6.508 0.871
138 HZ3 TRP 17 HZ3 TRP 17 -3.200 -6.234 4.451
139 HH2 TRP 17 HH2 TRP 17 -5.199 -6.978 3.263
140 H THR 18 HN THR 18 2.184 -3.172 -2.317
141 HA THR 18 HA THR 18 3.891 -1.591 -0.506
142 HB THR 18 HB THR 18 5.101 -3.523 -1.363
143 HG1 THR 18 HG1 THR 18 6.693 -2.180 -1.402
144 HG21 THR 18 HG21 THR 18 3.730 -3.003 -3.777
145 HG22 THR 18 HG22 THR 18 4.836 -4.324 -3.399
146 HG23 THR 18 HG23 THR 18 5.457 -2.823 -4.085
147 H VAL 19 HN VAL 19 1.828 -1.516 -3.210
148 HA VAL 19 HA VAL 19 3.001 0.900 -4.330
149 HB VAL 19 HB VAL 19 0.432 -0.460 -5.146
150 HG11 VAL 19 HG11 VAL 19 1.283 0.696 -7.371
151 HG12 VAL 19 HG12 VAL 19 2.069 1.774 -6.218
152 HG13 VAL 19 HG13 VAL 19 0.318 1.569 -6.181
153 HG21 VAL 19 HG21 VAL 19 2.068 -2.120 -5.442
154 HG22 VAL 19 HG22 VAL 19 3.269 -0.956 -6.001
155 HG23 VAL 19 HG23 VAL 19 1.895 -1.367 -7.027
156 H CYS 20 HN CYS 20 2.697 2.558 -2.915
157 HA CYS 20 HA CYS 20 0.158 2.928 -1.601
158 HB2 CYS 20 HB2 CYS 20 2.850 4.094 -1.406
159 HB3 CYS 20 HB1 CYS 20 1.538 5.228 -1.105
160 H ARG 21 HN ARG 21 -1.489 4.057 -2.328
161 HA ARG 21 HA ARG 21 -1.108 5.804 -4.652
162 HB2 ARG 21 HB2 ARG 21 -3.068 3.863 -3.994
163 HB3 ARG 21 HB1 ARG 21 -3.872 5.425 -3.944
164 HG2 ARG 21 HG2 ARG 21 -2.135 4.916 -6.276
165 HG3 ARG 21 HG1 ARG 21 -3.619 3.966 -6.169
166 HD2 ARG 21 HD2 ARG 21 -3.353 6.967 -6.198
167 HD3 ARG 21 HD1 ARG 21 -4.092 5.943 -7.428
168 HE ARG 21 HE ARG 21 -5.307 6.892 -5.016
169 HH11 ARG 21 HH11 ARG 21 -5.326 4.315 -7.369
170 HH12 ARG 21 HH12 ARG 21 -6.973 3.876 -7.059
171 HH21 ARG 21 HH21 ARG 21 -7.473 6.317 -4.608
172 HH22 ARG 21 HH22 ARG 21 -8.192 5.013 -5.493
173 H ASP 22 HN ASP 22 -3.507 7.315 -4.248
174 HA ASP 22 HA ASP 22 -2.588 9.462 -2.786
175 HB2 ASP 22 HB2 ASP 22 -5.402 8.614 -3.467
176 HB3 ASP 22 HB1 ASP 22 -5.052 10.133 -2.648
177 H GLY 23 HN GLY 23 -1.707 8.755 -0.823
178 HA2 GLY 23 HA2 GLY 23 -1.706 8.347 1.433
179 HA3 GLY 23 HA1 GLY 23 -3.356 8.954 1.431
180 H CYS 24 HN CYS 24 -2.651 6.227 -0.572
181 HA CYS 24 HA CYS 24 -3.813 4.432 1.456
182 HB2 CYS 24 HB2 CYS 24 -4.788 5.084 -1.237
183 HB3 CYS 24 HB1 CYS 24 -4.693 3.358 -0.907
184 H CYS 25 HN CYS 25 -3.482 2.112 0.949
185 HA CYS 25 HA CYS 25 -0.896 1.636 -0.393
186 HB2 CYS 25 HB2 CYS 25 -1.357 1.407 2.306
187 HB3 CYS 25 HB1 CYS 25 -1.643 -0.238 1.751
188 H ASN 26 HN ASN 26 -0.859 0.026 -1.867
189 HA ASN 26 HA ASN 26 -2.718 -2.160 -1.777
190 HB2 ASN 26 HB2 ASN 26 -3.776 -1.711 -3.953
191 HB3 ASN 26 HB1 ASN 26 -4.154 -0.454 -2.780
192 HD21 ASN 26 HD21 ASN 26 -4.201 1.456 -3.692
193 HD22 ASN 26 HD22 ASN 26 -3.134 2.030 -4.923
194 H ILE 27 HN ILE 27 -2.478 -3.557 -3.802
195 HA ILE 27 HA ILE 27 0.337 -3.995 -4.198
196 HB ILE 27 HB ILE 27 -1.210 -5.884 -3.883
197 HG12 ILE 27 HG12 ILE 27 -0.264 -6.312 -6.660
198 HG13 ILE 27 HG11 ILE 27 0.949 -5.788 -5.497
199 HG21 ILE 27 HG21 ILE 27 -2.962 -6.389 -5.253
200 HG22 ILE 27 HG22 ILE 27 -2.231 -5.617 -6.660
201 HG23 ILE 27 HG23 ILE 27 -2.972 -4.632 -5.398
202 HD11 ILE 27 HD11 ILE 27 -0.358 -7.788 -4.153
203 HD12 ILE 27 HD12 ILE 27 1.172 -7.945 -5.016
204 HD13 ILE 27 HD13 ILE 27 -0.341 -8.369 -5.818
205 H SER 28 HN SER 28 -2.382 -2.867 -6.117
206 HA SER 28 HA SER 28 -2.524 -1.879 -8.161
207 HB2 SER 28 HB2 SER 28 -0.490 -0.624 -6.905
208 HB3 SER 28 HB1 SER 28 0.371 -1.258 -8.307
209 HG SER 28 HG SER 28 -0.545 0.223 -9.464
Start of MODEL 6
1 H1 GLN 1 HT1 GLN 1 -7.454 -5.604 -6.028
2 H2 GLN 1 HT2 GLN 1 -8.863 -4.979 -5.273
3 H3 GLN 1 HT3 GLN 1 -7.700 -5.840 -4.348
4 HA GLN 1 HA GLN 1 -6.084 -4.144 -4.778
5 HB2 GLN 1 HB2 GLN 1 -7.865 -3.511 -6.840
6 HB3 GLN 1 HB1 GLN 1 -7.979 -2.156 -5.725
7 HG2 GLN 1 HG2 GLN 1 -5.241 -3.013 -6.281
8 HG3 GLN 1 HG1 GLN 1 -6.119 -2.431 -7.694
9 HE21 GLN 1 HE21 GLN 1 -3.893 -1.361 -5.903
10 HE22 GLN 1 HE22 GLN 1 -4.390 0.257 -5.558
11 H LEU 2 HN LEU 2 -5.835 -3.525 -2.739
12 HA LEU 2 HA LEU 2 -8.079 -2.172 -1.397
13 HB2 LEU 2 HB2 LEU 2 -8.017 -4.296 -0.379
14 HB3 LEU 2 HB1 LEU 2 -6.266 -4.326 -0.348
15 HG LEU 2 HG LEU 2 -6.139 -2.956 1.530
16 HD11 LEU 2 HD11 LEU 2 -8.722 -1.899 0.569
17 HD12 LEU 2 HD12 LEU 2 -7.343 -1.063 1.282
18 HD13 LEU 2 HD13 LEU 2 -8.484 -1.922 2.316
19 HD21 LEU 2 HD21 LEU 2 -7.743 -5.212 1.624
20 HD22 LEU 2 HD22 LEU 2 -8.656 -3.998 2.521
21 HD23 LEU 2 HD23 LEU 2 -7.004 -4.390 2.997
22 H CYS 3 HN CYS 3 -7.531 -0.122 -1.117
23 HA CYS 3 HA CYS 3 -4.719 0.576 -0.672
24 HB2 CYS 3 HB2 CYS 3 -6.780 1.747 -2.209
25 HB3 CYS 3 HB1 CYS 3 -6.437 2.871 -0.899
26 H LEU 4 HN LEU 4 -4.394 0.196 1.488
27 HA LEU 4 HA LEU 4 -6.263 1.157 3.466
28 HB2 LEU 4 HB2 LEU 4 -3.464 0.291 4.092
29 HB3 LEU 4 HB1 LEU 4 -4.906 0.143 5.073
30 HG LEU 4 HG LEU 4 -4.715 -1.404 2.519
31 HD11 LEU 4 HD11 LEU 4 -2.849 -2.400 3.239
32 HD12 LEU 4 HD12 LEU 4 -3.894 -3.185 4.423
33 HD13 LEU 4 HD13 LEU 4 -3.003 -1.729 4.863
34 HD21 LEU 4 HD21 LEU 4 -5.998 -3.022 4.020
35 HD22 LEU 4 HD22 LEU 4 -6.825 -1.546 3.526
36 HD23 LEU 4 HD23 LEU 4 -6.142 -1.673 5.146
37 H LEU 5 HN LEU 5 -4.784 2.262 5.443
38 HA LEU 5 HA LEU 5 -4.387 4.915 4.487
39 HB2 LEU 5 HB2 LEU 5 -4.094 3.546 7.127
40 HB3 LEU 5 HB1 LEU 5 -3.416 5.149 6.918
41 HG LEU 5 HG LEU 5 -5.823 5.734 6.045
42 HD11 LEU 5 HD11 LEU 5 -7.507 4.428 7.400
43 HD12 LEU 5 HD12 LEU 5 -6.245 3.219 7.635
44 HD13 LEU 5 HD13 LEU 5 -6.816 3.593 6.009
45 HD21 LEU 5 HD21 LEU 5 -4.470 6.241 8.308
46 HD22 LEU 5 HD22 LEU 5 -5.832 5.336 8.968
47 HD23 LEU 5 HD23 LEU 5 -6.119 6.793 8.017
48 H CYS 6 HN CYS 6 -2.591 5.902 3.793
49 HA CYS 6 HA CYS 6 0.029 4.891 4.567
50 HB2 CYS 6 HB2 CYS 6 -0.614 3.676 2.473
51 HB3 CYS 6 HB1 CYS 6 -0.697 5.232 1.655
52 H GLN 7 HN GLN 7 1.774 6.353 4.039
53 HA GLN 7 HA GLN 7 0.876 9.109 3.526
54 HB2 GLN 7 HB2 GLN 7 3.115 8.373 5.408
55 HB3 GLN 7 HB1 GLN 7 2.367 9.949 5.192
56 HG2 GLN 7 HG2 GLN 7 0.732 7.633 6.125
57 HG3 GLN 7 HG1 GLN 7 1.766 8.506 7.255
58 HE21 GLN 7 HE21 GLN 7 -0.776 8.989 4.846
59 HE22 GLN 7 HE22 GLN 7 -1.516 10.334 5.638
60 H THR 8 HN THR 8 3.495 6.765 3.315
61 HA THR 8 HA THR 8 4.851 8.497 1.361
62 HB THR 8 HB THR 8 6.893 7.412 1.895
63 HG1 THR 8 HG1 THR 8 7.015 5.529 3.017
64 HG21 THR 8 HG21 THR 8 6.365 8.963 3.628
65 HG22 THR 8 HG22 THR 8 7.076 7.526 4.363
66 HG23 THR 8 HG23 THR 8 5.332 7.783 4.436
67 H SER 9 HN SER 9 6.459 6.443 0.223
68 HA SER 9 HA SER 9 4.620 5.434 -1.725
69 HB2 SER 9 HB2 SER 9 7.596 5.107 -1.333
70 HB3 SER 9 HB1 SER 9 6.721 4.325 -2.649
71 HG SER 9 HG SER 9 6.655 7.116 -2.160
72 H ARG 10 HN ARG 10 6.259 4.128 1.069
73 HA ARG 10 HA ARG 10 4.652 1.711 0.845
74 HB2 ARG 10 HB2 ARG 10 7.563 1.355 1.463
75 HB3 ARG 10 HB1 ARG 10 6.396 0.169 0.894
76 HG2 ARG 10 HG2 ARG 10 7.698 0.495 -0.971
77 HG3 ARG 10 HG1 ARG 10 6.367 1.615 -1.262
78 HD2 ARG 10 HD2 ARG 10 8.047 3.071 -1.653
79 HD3 ARG 10 HD1 ARG 10 8.031 3.224 0.103
80 HE ARG 10 HE ARG 10 9.751 1.179 -0.332
81 HH11 ARG 10 HH11 ARG 10 9.532 4.431 -1.578
82 HH12 ARG 10 HH12 ARG 10 11.241 4.595 -1.800
83 HH21 ARG 10 HH21 ARG 10 12.000 1.392 -0.623
84 HH22 ARG 10 HH22 ARG 10 12.642 2.870 -1.259
85 H ASP 11 HN ASP 11 3.833 3.306 2.595
86 HA ASP 11 HA ASP 11 5.274 3.272 5.087
87 HB2 ASP 11 HB2 ASP 11 3.368 4.925 4.025
88 HB3 ASP 11 HB1 ASP 11 2.422 3.986 5.176
89 H CYS 12 HN CYS 12 3.015 1.227 3.512
90 HA CYS 12 HA CYS 12 1.966 0.026 5.908
91 HB2 CYS 12 HB2 CYS 12 1.583 -0.286 2.995
92 HB3 CYS 12 HB1 CYS 12 1.363 -1.753 3.943
93 H ASN 13 HN ASN 13 4.604 -0.542 3.705
94 HA ASN 13 HA ASN 13 6.282 -2.078 3.643
95 HB2 ASN 13 HB2 ASN 13 5.703 -1.740 6.557
96 HB3 ASN 13 HB1 ASN 13 6.860 -2.970 6.055
97 HD21 ASN 13 HD21 ASN 13 6.118 0.456 5.957
98 HD22 ASN 13 HD22 ASN 13 7.742 0.993 5.714
99 H TYR 14 HN TYR 14 3.465 -3.050 3.388
100 HA TYR 14 HA TYR 14 3.612 -5.740 4.489
101 HB2 TYR 14 HB2 TYR 14 1.479 -4.331 2.874
102 HB3 TYR 14 HB1 TYR 14 1.352 -5.996 3.430
103 HD1 TYR 14 HD1 TYR 14 -0.259 -3.284 4.053
104 HD2 TYR 14 HD2 TYR 14 2.542 -5.693 6.163
105 HE1 TYR 14 HE1 TYR 14 -1.194 -2.493 6.185
106 HE2 TYR 14 HE2 TYR 14 1.614 -4.909 8.301
107 HH TYR 14 HH TYR 14 -1.309 -3.397 8.593
108 H ILE 15 HN ILE 15 2.893 -7.539 2.920
109 HA ILE 15 HA ILE 15 4.752 -7.486 0.686
110 HB ILE 15 HB ILE 15 4.282 -9.885 0.472
111 HG12 ILE 15 HG12 ILE 15 2.398 -9.433 2.799
112 HG13 ILE 15 HG11 ILE 15 1.931 -9.881 1.161
113 HG21 ILE 15 HG21 ILE 15 4.712 -9.611 3.381
114 HG22 ILE 15 HG22 ILE 15 5.794 -8.696 2.331
115 HG23 ILE 15 HG23 ILE 15 5.674 -10.447 2.162
116 HD11 ILE 15 HD11 ILE 15 2.320 -11.612 3.223
117 HD12 ILE 15 HD12 ILE 15 3.862 -11.701 2.372
118 HD13 ILE 15 HD13 ILE 15 2.359 -12.038 1.513
119 H ILE 16 HN ILE 16 1.292 -7.868 1.271
120 HA ILE 16 HA ILE 16 0.760 -8.031 -1.586
121 HB ILE 16 HB ILE 16 -1.710 -7.973 -0.654
122 HG12 ILE 16 HG12 ILE 16 -1.936 -8.978 1.540
123 HG13 ILE 16 HG11 ILE 16 -0.188 -9.074 1.720
124 HG21 ILE 16 HG21 ILE 16 -1.246 -10.548 -0.112
125 HG22 ILE 16 HG22 ILE 16 0.273 -10.144 -0.910
126 HG23 ILE 16 HG23 ILE 16 -1.258 -9.894 -1.749
127 HD11 ILE 16 HD11 ILE 16 -1.246 -6.384 1.224
128 HD12 ILE 16 HD12 ILE 16 -0.018 -6.934 2.362
129 HD13 ILE 16 HD13 ILE 16 -1.727 -7.121 2.751
130 H TRP 17 HN TRP 17 1.413 -5.555 0.435
131 HA TRP 17 HA TRP 17 -0.017 -3.669 -1.261
132 HB2 TRP 17 HB2 TRP 17 -0.311 -3.770 1.745
133 HB3 TRP 17 HB1 TRP 17 -0.719 -2.351 0.786
134 HD1 TRP 17 HD1 TRP 17 -2.281 -3.637 -1.592
135 HE1 TRP 17 HE1 TRP 17 -4.561 -4.757 -1.211
136 HE3 TRP 17 HE3 TRP 17 -1.888 -4.593 3.412
137 HZ2 TRP 17 HZ2 TRP 17 -6.006 -5.901 0.926
138 HZ3 TRP 17 HZ3 TRP 17 -3.764 -5.704 4.551
139 HH2 TRP 17 HH2 TRP 17 -5.781 -6.344 3.332
140 H THR 18 HN THR 18 2.075 -3.195 -2.065
141 HA THR 18 HA THR 18 3.797 -1.729 -0.177
142 HB THR 18 HB THR 18 4.985 -3.655 -0.923
143 HG1 THR 18 HG1 THR 18 6.728 -2.686 -1.849
144 HG21 THR 18 HG21 THR 18 4.127 -4.580 -2.795
145 HG22 THR 18 HG22 THR 18 5.452 -3.681 -3.536
146 HG23 THR 18 HG23 THR 18 3.816 -3.022 -3.560
147 H VAL 19 HN VAL 19 1.975 -1.554 -3.092
148 HA VAL 19 HA VAL 19 3.324 0.857 -4.012
149 HB VAL 19 HB VAL 19 0.853 -0.447 -5.162
150 HG11 VAL 19 HG11 VAL 19 2.770 1.633 -6.186
151 HG12 VAL 19 HG12 VAL 19 1.029 1.778 -5.946
152 HG13 VAL 19 HG13 VAL 19 1.659 0.752 -7.235
153 HG21 VAL 19 HG21 VAL 19 3.705 -0.809 -6.069
154 HG22 VAL 19 HG22 VAL 19 2.267 -1.594 -6.721
155 HG23 VAL 19 HG23 VAL 19 2.818 -1.978 -5.091
156 H CYS 20 HN CYS 20 2.867 2.556 -2.701
157 HA CYS 20 HA CYS 20 0.177 2.904 -1.700
158 HB2 CYS 20 HB2 CYS 20 2.802 4.224 -1.168
159 HB3 CYS 20 HB1 CYS 20 1.317 5.063 -0.733
160 H ARG 21 HN ARG 21 -1.299 4.282 -2.384
161 HA ARG 21 HA ARG 21 -0.600 6.074 -4.608
162 HB2 ARG 21 HB2 ARG 21 -2.421 4.053 -4.652
163 HB3 ARG 21 HB1 ARG 21 -3.442 5.394 -4.151
164 HG2 ARG 21 HG2 ARG 21 -3.287 6.443 -6.151
165 HG3 ARG 21 HG1 ARG 21 -1.646 5.869 -6.451
166 HD2 ARG 21 HD2 ARG 21 -2.565 3.610 -6.885
167 HD3 ARG 21 HD1 ARG 21 -4.190 4.268 -6.693
168 HE ARG 21 HE ARG 21 -3.116 5.843 -8.608
169 HH11 ARG 21 HH11 ARG 21 -3.372 2.382 -8.241
170 HH12 ARG 21 HH12 ARG 21 -3.438 2.080 -9.945
171 HH21 ARG 21 HH21 ARG 21 -3.203 5.449 -10.849
172 HH22 ARG 21 HH22 ARG 21 -3.342 3.821 -11.426
173 H ASP 22 HN ASP 22 -3.265 7.371 -4.362
174 HA ASP 22 HA ASP 22 -2.655 9.607 -2.935
175 HB2 ASP 22 HB2 ASP 22 -5.244 8.342 -3.709
176 HB3 ASP 22 HB1 ASP 22 -5.282 9.724 -2.618
177 H GLY 23 HN GLY 23 -1.608 9.082 -0.995
178 HA2 GLY 23 HA2 GLY 23 -1.435 8.676 1.254
179 HA3 GLY 23 HA1 GLY 23 -3.090 9.255 1.329
180 H CYS 24 HN CYS 24 -2.173 6.353 -0.438
181 HA CYS 24 HA CYS 24 -3.158 4.690 1.755
182 HB2 CYS 24 HB2 CYS 24 -4.714 3.481 0.303
183 HB3 CYS 24 HB1 CYS 24 -5.141 5.185 0.406
184 H CYS 25 HN CYS 25 -2.816 2.352 1.375
185 HA CYS 25 HA CYS 25 -0.467 1.895 -0.350
186 HB2 CYS 25 HB2 CYS 25 0.488 0.465 1.249
187 HB3 CYS 25 HB1 CYS 25 -0.121 1.817 2.192
188 H ASN 26 HN ASN 26 -0.669 0.424 -1.891
189 HA ASN 26 HA ASN 26 -2.643 -1.716 -1.587
190 HB2 ASN 26 HB2 ASN 26 -3.317 -1.346 -3.997
191 HB3 ASN 26 HB1 ASN 26 -3.864 -0.116 -2.862
192 HD21 ASN 26 HD21 ASN 26 -2.013 -0.786 -5.645
193 HD22 ASN 26 HD22 ASN 26 -1.451 0.820 -5.941
194 H ILE 27 HN ILE 27 -2.426 -3.114 -3.792
195 HA ILE 27 HA ILE 27 0.296 -4.076 -3.718
196 HB ILE 27 HB ILE 27 -1.603 -5.651 -3.689
197 HG12 ILE 27 HG12 ILE 27 -0.699 -6.898 -5.925
198 HG13 ILE 27 HG11 ILE 27 0.592 -5.729 -5.669
199 HG21 ILE 27 HG21 ILE 27 -2.045 -4.828 -6.554
200 HG22 ILE 27 HG22 ILE 27 -3.070 -4.352 -5.201
201 HG23 ILE 27 HG23 ILE 27 -2.938 -6.051 -5.652
202 HD11 ILE 27 HD11 ILE 27 -0.385 -7.752 -3.667
203 HD12 ILE 27 HD12 ILE 27 0.903 -6.576 -3.400
204 HD13 ILE 27 HD13 ILE 27 1.104 -7.845 -4.608
205 H SER 28 HN SER 28 -1.905 -2.708 -6.118
206 HA SER 28 HA SER 28 0.158 -1.438 -7.562
207 HB2 SER 28 HB2 SER 28 0.812 -3.542 -8.434
208 HB3 SER 28 HB1 SER 28 -0.859 -4.055 -8.665
209 HG SER 28 HG SER 28 -0.945 -2.989 -10.495
Start of MODEL 7
1 H1 GLN 1 HT1 GLN 1 -8.615 -5.834 -5.015
2 H2 GLN 1 HT2 GLN 1 -8.484 -5.035 -6.528
3 H3 GLN 1 HT3 GLN 1 -9.562 -4.442 -5.332
4 HA GLN 1 HA GLN 1 -6.652 -4.619 -4.973
5 HB2 GLN 1 HB2 GLN 1 -7.935 -3.020 -6.796
6 HB3 GLN 1 HB1 GLN 1 -7.898 -1.985 -5.375
7 HG2 GLN 1 HG2 GLN 1 -5.342 -2.997 -5.479
8 HG3 GLN 1 HG1 GLN 1 -5.758 -2.763 -7.176
9 HE21 GLN 1 HE21 GLN 1 -3.759 -1.295 -6.165
10 HE22 GLN 1 HE22 GLN 1 -4.241 0.352 -5.965
11 H LEU 2 HN LEU 2 -5.993 -3.029 -3.272
12 HA LEU 2 HA LEU 2 -8.087 -2.648 -1.242
13 HB2 LEU 2 HB2 LEU 2 -6.289 -4.610 -0.984
14 HB3 LEU 2 HB1 LEU 2 -5.335 -3.293 -0.331
15 HG LEU 2 HG LEU 2 -6.280 -4.130 1.581
16 HD11 LEU 2 HD11 LEU 2 -6.907 -1.724 1.253
17 HD12 LEU 2 HD12 LEU 2 -7.930 -2.620 2.376
18 HD13 LEU 2 HD13 LEU 2 -8.501 -2.282 0.742
19 HD21 LEU 2 HD21 LEU 2 -8.456 -4.981 -0.228
20 HD22 LEU 2 HD22 LEU 2 -8.892 -4.675 1.453
21 HD23 LEU 2 HD23 LEU 2 -7.645 -5.860 1.067
22 H CYS 3 HN CYS 3 -8.133 -0.675 -0.352
23 HA CYS 3 HA CYS 3 -5.850 1.114 -0.873
24 HB2 CYS 3 HB2 CYS 3 -8.377 1.456 -1.792
25 HB3 CYS 3 HB1 CYS 3 -8.481 2.318 -0.260
26 H LEU 4 HN LEU 4 -4.749 0.725 1.045
27 HA LEU 4 HA LEU 4 -6.181 1.316 3.543
28 HB2 LEU 4 HB2 LEU 4 -3.376 0.275 3.428
29 HB3 LEU 4 HB1 LEU 4 -4.569 0.094 4.699
30 HG LEU 4 HG LEU 4 -4.992 -1.215 2.033
31 HD11 LEU 4 HD11 LEU 4 -3.043 -2.296 2.378
32 HD12 LEU 4 HD12 LEU 4 -4.018 -3.239 3.505
33 HD13 LEU 4 HD13 LEU 4 -3.011 -1.918 4.101
34 HD21 LEU 4 HD21 LEU 4 -5.948 -1.676 4.847
35 HD22 LEU 4 HD22 LEU 4 -6.163 -2.858 3.557
36 HD23 LEU 4 HD23 LEU 4 -6.902 -1.262 3.423
37 H LEU 5 HN LEU 5 -5.610 2.994 4.855
38 HA LEU 5 HA LEU 5 -4.519 5.297 3.844
39 HB2 LEU 5 HB2 LEU 5 -4.849 4.257 6.624
40 HB3 LEU 5 HB1 LEU 5 -3.967 5.752 6.375
41 HG LEU 5 HG LEU 5 -6.277 6.232 6.920
42 HD11 LEU 5 HD11 LEU 5 -6.601 7.863 5.351
43 HD12 LEU 5 HD12 LEU 5 -6.177 6.807 4.003
44 HD13 LEU 5 HD13 LEU 5 -4.911 7.462 5.041
45 HD21 LEU 5 HD21 LEU 5 -8.073 5.564 5.322
46 HD22 LEU 5 HD22 LEU 5 -7.364 4.220 6.217
47 HD23 LEU 5 HD23 LEU 5 -6.907 4.499 4.537
48 H CYS 6 HN CYS 6 -2.549 5.895 3.238
49 HA CYS 6 HA CYS 6 -0.228 4.578 4.487
50 HB2 CYS 6 HB2 CYS 6 -0.753 3.850 2.096
51 HB3 CYS 6 HB1 CYS 6 -0.294 5.479 1.609
52 H GLN 7 HN GLN 7 1.798 5.853 4.329
53 HA GLN 7 HA GLN 7 1.202 8.727 4.548
54 HB2 GLN 7 HB2 GLN 7 3.260 7.001 5.909
55 HB3 GLN 7 HB1 GLN 7 3.356 8.756 5.915
56 HG2 GLN 7 HG2 GLN 7 1.048 7.144 6.978
57 HG3 GLN 7 HG1 GLN 7 2.338 7.846 7.954
58 HE21 GLN 7 HE21 GLN 7 2.569 10.186 7.891
59 HE22 GLN 7 HE22 GLN 7 1.159 11.163 7.689
60 H THR 8 HN THR 8 3.334 6.355 3.100
61 HA THR 8 HA THR 8 4.346 8.444 1.314
62 HB THR 8 HB THR 8 6.027 8.082 3.108
63 HG1 THR 8 HG1 THR 8 7.745 7.863 1.690
64 HG21 THR 8 HG21 THR 8 7.274 5.731 2.359
65 HG22 THR 8 HG22 THR 8 5.569 5.302 2.489
66 HG23 THR 8 HG23 THR 8 6.401 6.035 3.861
67 H SER 9 HN SER 9 6.141 6.818 -0.110
68 HA SER 9 HA SER 9 4.421 5.566 -1.936
69 HB2 SER 9 HB2 SER 9 6.412 4.823 -3.076
70 HB3 SER 9 HB1 SER 9 6.715 6.442 -2.447
71 HG SER 9 HG SER 9 8.073 5.643 -0.981
72 H ARG 10 HN ARG 10 6.158 4.325 0.838
73 HA ARG 10 HA ARG 10 4.584 1.911 0.759
74 HB2 ARG 10 HB2 ARG 10 6.378 1.229 -0.706
75 HB3 ARG 10 HB1 ARG 10 7.586 1.798 0.438
76 HG2 ARG 10 HG2 ARG 10 5.822 -0.114 1.677
77 HG3 ARG 10 HG1 ARG 10 6.546 -0.776 0.210
78 HD2 ARG 10 HD2 ARG 10 8.375 0.695 1.992
79 HD3 ARG 10 HD1 ARG 10 7.733 -0.816 2.635
80 HE ARG 10 HE ARG 10 9.738 -0.553 0.673
81 HH11 ARG 10 HH11 ARG 10 6.923 -2.474 1.424
82 HH12 ARG 10 HH12 ARG 10 7.498 -3.873 0.581
83 HH21 ARG 10 HH21 ARG 10 10.496 -2.392 -0.437
84 HH22 ARG 10 HH22 ARG 10 9.526 -3.827 -0.475
85 H ASP 11 HN ASP 11 4.059 3.385 2.672
86 HA ASP 11 HA ASP 11 5.890 3.003 4.920
87 HB2 ASP 11 HB2 ASP 11 4.471 5.193 4.208
88 HB3 ASP 11 HB1 ASP 11 3.340 4.448 5.332
89 H CYS 12 HN CYS 12 4.269 0.838 3.706
90 HA CYS 12 HA CYS 12 2.576 0.145 6.010
91 HB2 CYS 12 HB2 CYS 12 2.428 -1.173 3.306
92 HB3 CYS 12 HB1 CYS 12 1.216 -1.153 4.583
93 H ASN 13 HN ASN 13 5.255 -0.834 4.020
94 HA ASN 13 HA ASN 13 6.797 -2.490 4.207
95 HB2 ASN 13 HB2 ASN 13 5.825 -2.127 6.997
96 HB3 ASN 13 HB1 ASN 13 6.812 -3.545 6.656
97 HD21 ASN 13 HD21 ASN 13 8.921 -3.204 5.743
98 HD22 ASN 13 HD22 ASN 13 9.777 -1.743 6.085
99 H TYR 14 HN TYR 14 3.852 -3.106 3.629
100 HA TYR 14 HA TYR 14 3.672 -5.880 4.491
101 HB2 TYR 14 HB2 TYR 14 1.776 -4.271 2.767
102 HB3 TYR 14 HB1 TYR 14 1.458 -5.859 3.457
103 HD1 TYR 14 HD1 TYR 14 -0.155 -3.252 3.796
104 HD2 TYR 14 HD2 TYR 14 2.828 -5.128 6.180
105 HE1 TYR 14 HE1 TYR 14 -1.093 -2.183 5.801
106 HE2 TYR 14 HE2 TYR 14 1.898 -4.064 8.192
107 HH TYR 14 HH TYR 14 0.538 -2.173 8.814
108 H ILE 15 HN ILE 15 3.186 -7.577 2.889
109 HA ILE 15 HA ILE 15 4.999 -7.339 0.626
110 HB ILE 15 HB ILE 15 4.701 -9.752 0.348
111 HG12 ILE 15 HG12 ILE 15 3.436 -10.762 2.502
112 HG13 ILE 15 HG11 ILE 15 2.501 -9.287 2.286
113 HG21 ILE 15 HG21 ILE 15 6.104 -10.307 2.049
114 HG22 ILE 15 HG22 ILE 15 5.129 -9.491 3.270
115 HG23 ILE 15 HG23 ILE 15 6.171 -8.551 2.201
116 HD11 ILE 15 HD11 ILE 15 2.425 -10.116 -0.213
117 HD12 ILE 15 HD12 ILE 15 1.294 -10.719 1.000
118 HD13 ILE 15 HD13 ILE 15 2.703 -11.681 0.551
119 H ILE 16 HN ILE 16 1.583 -7.906 1.278
120 HA ILE 16 HA ILE 16 0.991 -8.053 -1.567
121 HB ILE 16 HB ILE 16 -1.460 -8.100 -0.562
122 HG12 ILE 16 HG12 ILE 16 -1.579 -9.188 1.598
123 HG13 ILE 16 HG11 ILE 16 0.177 -9.233 1.718
124 HG21 ILE 16 HG21 ILE 16 -1.016 -9.974 -1.721
125 HG22 ILE 16 HG22 ILE 16 -0.852 -10.681 -0.114
126 HG23 ILE 16 HG23 ILE 16 0.583 -10.171 -1.004
127 HD11 ILE 16 HD11 ILE 16 0.286 -7.137 2.481
128 HD12 ILE 16 HD12 ILE 16 -1.425 -7.360 2.843
129 HD13 ILE 16 HD13 ILE 16 -0.936 -6.557 1.352
130 H TRP 17 HN TRP 17 1.570 -5.583 0.492
131 HA TRP 17 HA TRP 17 0.040 -3.735 -1.157
132 HB2 TRP 17 HB2 TRP 17 -0.195 -3.846 1.859
133 HB3 TRP 17 HB1 TRP 17 -0.727 -2.479 0.884
134 HD1 TRP 17 HD1 TRP 17 -2.266 -3.860 -1.422
135 HE1 TRP 17 HE1 TRP 17 -4.427 -5.176 -0.985
136 HE3 TRP 17 HE3 TRP 17 -1.632 -4.824 3.556
137 HZ2 TRP 17 HZ2 TRP 17 -5.706 -6.451 1.188
138 HZ3 TRP 17 HZ3 TRP 17 -3.373 -6.094 4.742
139 HH2 TRP 17 HH2 TRP 17 -5.368 -6.890 3.581
140 H THR 18 HN THR 18 2.066 -3.130 -1.979
141 HA THR 18 HA THR 18 3.750 -1.613 -0.095
142 HB THR 18 HB THR 18 4.996 -3.521 -0.822
143 HG1 THR 18 HG1 THR 18 6.723 -2.445 -1.440
144 HG21 THR 18 HG21 THR 18 3.694 -4.071 -2.838
145 HG22 THR 18 HG22 THR 18 5.436 -4.076 -3.116
146 HG23 THR 18 HG23 THR 18 4.458 -2.717 -3.669
147 H VAL 19 HN VAL 19 1.894 -1.517 -2.973
148 HA VAL 19 HA VAL 19 3.181 0.898 -3.964
149 HB VAL 19 HB VAL 19 0.712 -0.482 -5.029
150 HG11 VAL 19 HG11 VAL 19 2.538 1.632 -6.153
151 HG12 VAL 19 HG12 VAL 19 0.810 1.754 -5.825
152 HG13 VAL 19 HG13 VAL 19 1.389 0.721 -7.133
153 HG21 VAL 19 HG21 VAL 19 3.570 -0.773 -5.952
154 HG22 VAL 19 HG22 VAL 19 2.152 -1.553 -6.654
155 HG23 VAL 19 HG23 VAL 19 2.675 -1.977 -5.024
156 H CYS 20 HN CYS 20 2.745 2.546 -2.569
157 HA CYS 20 HA CYS 20 0.030 2.931 -1.621
158 HB2 CYS 20 HB2 CYS 20 2.650 4.271 -1.007
159 HB3 CYS 20 HB1 CYS 20 1.121 4.937 -0.446
160 H ARG 21 HN ARG 21 -1.353 4.447 -2.270
161 HA ARG 21 HA ARG 21 -0.522 6.177 -4.499
162 HB2 ARG 21 HB2 ARG 21 -2.581 4.412 -4.442
163 HB3 ARG 21 HB1 ARG 21 -3.401 5.862 -3.882
164 HG2 ARG 21 HG2 ARG 21 -2.272 6.970 -5.948
165 HG3 ARG 21 HG1 ARG 21 -2.128 5.307 -6.520
166 HD2 ARG 21 HD2 ARG 21 -4.444 5.000 -6.567
167 HD3 ARG 21 HD1 ARG 21 -4.740 6.384 -5.516
168 HE ARG 21 HE ARG 21 -4.786 7.709 -7.369
169 HH11 ARG 21 HH11 ARG 21 -3.116 4.754 -8.178
170 HH12 ARG 21 HH12 ARG 21 -2.972 5.148 -9.858
171 HH21 ARG 21 HH21 ARG 21 -4.598 8.229 -9.579
172 HH22 ARG 21 HH22 ARG 21 -3.812 7.121 -10.653
173 H ASP 22 HN ASP 22 -2.815 7.919 -4.275
174 HA ASP 22 HA ASP 22 -1.816 9.919 -2.633
175 HB2 ASP 22 HB2 ASP 22 -3.794 9.816 -4.466
176 HB3 ASP 22 HB1 ASP 22 -4.759 9.865 -2.993
177 H GLY 23 HN GLY 23 -1.275 8.901 -0.639
178 HA2 GLY 23 HA2 GLY 23 -1.630 8.534 1.601
179 HA3 GLY 23 HA1 GLY 23 -3.231 9.228 1.389
180 H CYS 24 HN CYS 24 -2.250 6.496 -0.533
181 HA CYS 24 HA CYS 24 -3.860 4.726 1.183
182 HB2 CYS 24 HB2 CYS 24 -4.493 5.614 -1.456
183 HB3 CYS 24 HB1 CYS 24 -4.158 3.887 -1.517
184 H CYS 25 HN CYS 25 -3.579 2.389 0.567
185 HA CYS 25 HA CYS 25 -0.844 1.781 -0.338
186 HB2 CYS 25 HB2 CYS 25 -1.256 1.805 2.244
187 HB3 CYS 25 HB1 CYS 25 -2.096 0.288 1.948
188 H ASN 26 HN ASN 26 -0.793 0.210 -1.826
189 HA ASN 26 HA ASN 26 -2.804 -1.886 -1.812
190 HB2 ASN 26 HB2 ASN 26 -3.283 -1.535 -4.254
191 HB3 ASN 26 HB1 ASN 26 -3.920 -0.280 -3.197
192 HD21 ASN 26 HD21 ASN 26 -1.693 -1.049 -5.706
193 HD22 ASN 26 HD22 ASN 26 -1.165 0.564 -6.028
194 H ILE 27 HN ILE 27 -2.358 -3.399 -3.785
195 HA ILE 27 HA ILE 27 0.384 -4.219 -3.524
196 HB ILE 27 HB ILE 27 -1.455 -5.859 -3.551
197 HG12 ILE 27 HG12 ILE 27 0.088 -6.534 -5.999
198 HG13 ILE 27 HG11 ILE 27 1.018 -6.154 -4.553
199 HG21 ILE 27 HG21 ILE 27 -1.705 -5.389 -6.504
200 HG22 ILE 27 HG22 ILE 27 -2.741 -4.565 -5.338
201 HG23 ILE 27 HG23 ILE 27 -2.756 -6.326 -5.441
202 HD11 ILE 27 HD11 ILE 27 0.771 -8.289 -4.008
203 HD12 ILE 27 HD12 ILE 27 -0.480 -8.536 -5.228
204 HD13 ILE 27 HD13 ILE 27 -0.909 -7.898 -3.640
205 H SER 28 HN SER 28 -1.692 -3.064 -6.140
206 HA SER 28 HA SER 28 0.360 -1.720 -7.494
207 HB2 SER 28 HB2 SER 28 0.921 -4.234 -7.896
208 HB3 SER 28 HB1 SER 28 -0.427 -4.179 -9.032
209 HG SER 28 HG SER 28 0.674 -2.841 -10.308
Start of MODEL 8
1 H1 GLN 1 HT1 GLN 1 -8.878 -3.983 -6.423
2 H2 GLN 1 HT2 GLN 1 -9.705 -3.121 -5.191
3 H3 GLN 1 HT3 GLN 1 -9.240 -4.753 -4.935
4 HA GLN 1 HA GLN 1 -7.013 -4.233 -4.832
5 HB2 GLN 1 HB2 GLN 1 -7.960 -1.770 -6.208
6 HB3 GLN 1 HB1 GLN 1 -6.559 -1.613 -5.157
7 HG2 GLN 1 HG2 GLN 1 -6.357 -3.904 -6.921
8 HG3 GLN 1 HG1 GLN 1 -6.557 -2.391 -7.802
9 HE21 GLN 1 HE21 GLN 1 -5.227 -0.615 -6.242
10 HE22 GLN 1 HE22 GLN 1 -3.550 -1.021 -6.172
11 H LEU 2 HN LEU 2 -6.180 -3.789 -2.854
12 HA LEU 2 HA LEU 2 -7.982 -2.797 -0.838
13 HB2 LEU 2 HB2 LEU 2 -6.062 -4.669 -0.779
14 HB3 LEU 2 HB1 LEU 2 -5.126 -3.304 -0.205
15 HG LEU 2 HG LEU 2 -5.829 -4.156 1.789
16 HD11 LEU 2 HD11 LEU 2 -8.272 -2.533 1.111
17 HD12 LEU 2 HD12 LEU 2 -6.711 -1.844 1.560
18 HD13 LEU 2 HD13 LEU 2 -7.599 -2.842 2.712
19 HD21 LEU 2 HD21 LEU 2 -7.490 -5.661 2.096
20 HD22 LEU 2 HD22 LEU 2 -7.356 -5.802 0.343
21 HD23 LEU 2 HD23 LEU 2 -8.618 -4.796 1.053
22 H CYS 3 HN CYS 3 -7.966 -0.848 0.136
23 HA CYS 3 HA CYS 3 -5.872 1.056 -0.685
24 HB2 CYS 3 HB2 CYS 3 -8.515 1.265 -1.264
25 HB3 CYS 3 HB1 CYS 3 -8.455 2.134 0.265
26 H LEU 4 HN LEU 4 -4.561 0.532 1.131
27 HA LEU 4 HA LEU 4 -5.684 1.092 3.774
28 HB2 LEU 4 HB2 LEU 4 -2.844 0.278 3.281
29 HB3 LEU 4 HB1 LEU 4 -3.836 0.007 4.699
30 HG LEU 4 HG LEU 4 -4.344 -1.358 2.056
31 HD11 LEU 4 HD11 LEU 4 -3.375 -3.286 3.713
32 HD12 LEU 4 HD12 LEU 4 -2.358 -1.910 4.138
33 HD13 LEU 4 HD13 LEU 4 -2.439 -2.463 2.466
34 HD21 LEU 4 HD21 LEU 4 -5.322 -1.826 4.869
35 HD22 LEU 4 HD22 LEU 4 -5.587 -2.937 3.525
36 HD23 LEU 4 HD23 LEU 4 -6.276 -1.314 3.477
37 H LEU 5 HN LEU 5 -5.380 2.963 4.799
38 HA LEU 5 HA LEU 5 -4.251 5.200 3.594
39 HB2 LEU 5 HB2 LEU 5 -4.754 4.638 6.514
40 HB3 LEU 5 HB1 LEU 5 -4.327 6.215 5.878
41 HG LEU 5 HG LEU 5 -6.737 4.773 4.831
42 HD11 LEU 5 HD11 LEU 5 -6.531 5.148 7.478
43 HD12 LEU 5 HD12 LEU 5 -8.051 5.281 6.594
44 HD13 LEU 5 HD13 LEU 5 -7.135 6.733 6.998
45 HD21 LEU 5 HD21 LEU 5 -5.754 7.601 4.942
46 HD22 LEU 5 HD22 LEU 5 -7.462 7.239 4.691
47 HD23 LEU 5 HD23 LEU 5 -6.258 6.652 3.544
48 H CYS 6 HN CYS 6 -2.238 5.895 3.324
49 HA CYS 6 HA CYS 6 -0.157 5.111 5.217
50 HB2 CYS 6 HB2 CYS 6 1.349 4.287 3.585
51 HB3 CYS 6 HB1 CYS 6 -0.182 3.483 3.267
52 H GLN 7 HN GLN 7 1.906 6.356 4.781
53 HA GLN 7 HA GLN 7 1.175 9.094 4.016
54 HB2 GLN 7 HB2 GLN 7 3.531 8.195 5.673
55 HB3 GLN 7 HB1 GLN 7 2.977 9.847 5.437
56 HG2 GLN 7 HG2 GLN 7 1.259 7.749 6.718
57 HG3 GLN 7 HG1 GLN 7 2.397 8.733 7.637
58 HE21 GLN 7 HE21 GLN 7 -0.729 8.470 6.844
59 HE22 GLN 7 HE22 GLN 7 -1.216 10.124 6.932
60 H THR 8 HN THR 8 3.891 6.825 3.808
61 HA THR 8 HA THR 8 4.960 8.356 1.550
62 HB THR 8 HB THR 8 6.404 6.006 2.678
63 HG1 THR 8 HG1 THR 8 6.064 8.478 4.013
64 HG21 THR 8 HG21 THR 8 8.093 6.888 1.572
65 HG22 THR 8 HG22 THR 8 7.966 8.363 2.530
66 HG23 THR 8 HG23 THR 8 7.054 8.205 1.029
67 H SER 9 HN SER 9 6.196 6.747 -0.039
68 HA SER 9 HA SER 9 4.217 5.430 -1.520
69 HB2 SER 9 HB2 SER 9 7.199 5.571 -1.644
70 HB3 SER 9 HB1 SER 9 6.373 4.353 -2.616
71 HG SER 9 HG SER 9 5.800 7.134 -2.650
72 H ARG 10 HN ARG 10 6.016 4.368 1.194
73 HA ARG 10 HA ARG 10 4.713 1.799 1.085
74 HB2 ARG 10 HB2 ARG 10 6.949 0.609 1.478
75 HB3 ARG 10 HB1 ARG 10 6.567 1.101 -0.166
76 HG2 ARG 10 HG2 ARG 10 8.047 2.965 -0.031
77 HG3 ARG 10 HG1 ARG 10 8.291 2.713 1.698
78 HD2 ARG 10 HD2 ARG 10 9.386 0.590 1.257
79 HD3 ARG 10 HD1 ARG 10 9.085 0.774 -0.471
80 HE ARG 10 HE ARG 10 10.890 2.170 -0.596
81 HH11 ARG 10 HH11 ARG 10 9.940 1.871 2.748
82 HH12 ARG 10 HH12 ARG 10 11.315 2.736 3.347
83 HH21 ARG 10 HH21 ARG 10 12.701 3.307 0.189
84 HH22 ARG 10 HH22 ARG 10 12.883 3.551 1.894
85 H ASP 11 HN ASP 11 3.971 3.399 2.915
86 HA ASP 11 HA ASP 11 5.659 3.089 5.292
87 HB2 ASP 11 HB2 ASP 11 3.553 4.986 4.452
88 HB3 ASP 11 HB1 ASP 11 3.527 4.537 6.154
89 H CYS 12 HN CYS 12 4.159 0.893 4.029
90 HA CYS 12 HA CYS 12 2.332 0.226 6.238
91 HB2 CYS 12 HB2 CYS 12 2.255 -1.030 3.498
92 HB3 CYS 12 HB1 CYS 12 1.005 -1.040 4.739
93 H ASN 13 HN ASN 13 5.018 -0.818 4.267
94 HA ASN 13 HA ASN 13 6.559 -2.465 4.522
95 HB2 ASN 13 HB2 ASN 13 5.484 -2.106 7.257
96 HB3 ASN 13 HB1 ASN 13 6.361 -3.604 6.960
97 HD21 ASN 13 HD21 ASN 13 6.635 -0.412 7.824
98 HD22 ASN 13 HD22 ASN 13 8.332 -0.206 7.574
99 H TYR 14 HN TYR 14 3.712 -3.045 3.681
100 HA TYR 14 HA TYR 14 3.396 -5.823 4.491
101 HB2 TYR 14 HB2 TYR 14 1.721 -3.890 2.919
102 HB3 TYR 14 HB1 TYR 14 1.390 -5.618 2.844
103 HD1 TYR 14 HD1 TYR 14 1.731 -2.784 5.222
104 HD2 TYR 14 HD2 TYR 14 0.111 -6.651 4.513
105 HE1 TYR 14 HE1 TYR 14 0.429 -2.611 7.300
106 HE2 TYR 14 HE2 TYR 14 -1.198 -6.490 6.589
107 HH TYR 14 HH TYR 14 -0.599 -4.433 8.986
108 H ILE 15 HN ILE 15 3.129 -7.522 2.880
109 HA ILE 15 HA ILE 15 5.106 -7.241 0.760
110 HB ILE 15 HB ILE 15 4.576 -9.746 0.431
111 HG12 ILE 15 HG12 ILE 15 3.764 -9.847 3.269
112 HG13 ILE 15 HG11 ILE 15 2.530 -9.267 2.158
113 HG21 ILE 15 HG21 ILE 15 5.754 -9.239 3.116
114 HG22 ILE 15 HG22 ILE 15 6.520 -8.524 1.698
115 HG23 ILE 15 HG23 ILE 15 6.326 -10.273 1.808
116 HD11 ILE 15 HD11 ILE 15 2.237 -11.603 2.402
117 HD12 ILE 15 HD12 ILE 15 3.948 -11.912 2.104
118 HD13 ILE 15 HD13 ILE 15 2.916 -11.328 0.798
119 H ILE 16 HN ILE 16 1.677 -7.932 1.167
120 HA ILE 16 HA ILE 16 1.293 -8.074 -1.716
121 HB ILE 16 HB ILE 16 -1.231 -8.192 -0.832
122 HG12 ILE 16 HG12 ILE 16 -1.376 -9.458 1.246
123 HG13 ILE 16 HG11 ILE 16 0.373 -9.394 1.438
124 HG21 ILE 16 HG21 ILE 16 0.476 -9.889 -1.997
125 HG22 ILE 16 HG22 ILE 16 -1.146 -10.348 -1.479
126 HG23 ILE 16 HG23 ILE 16 0.244 -10.717 -0.458
127 HD11 ILE 16 HD11 ILE 16 0.259 -7.422 2.438
128 HD12 ILE 16 HD12 ILE 16 -1.489 -7.648 2.496
129 HD13 ILE 16 HD13 ILE 16 -0.759 -6.756 1.163
130 H TRP 17 HN TRP 17 1.784 -5.602 0.257
131 HA TRP 17 HA TRP 17 0.184 -3.801 -1.373
132 HB2 TRP 17 HB2 TRP 17 -0.001 -3.908 1.644
133 HB3 TRP 17 HB1 TRP 17 -0.557 -2.541 0.683
134 HD1 TRP 17 HD1 TRP 17 -2.136 -3.873 -1.597
135 HE1 TRP 17 HE1 TRP 17 -4.272 -5.224 -1.149
136 HE3 TRP 17 HE3 TRP 17 -1.372 -4.983 3.331
137 HZ2 TRP 17 HZ2 TRP 17 -5.484 -6.583 1.012
138 HZ3 TRP 17 HZ3 TRP 17 -3.069 -6.310 4.519
139 HH2 TRP 17 HH2 TRP 17 -5.083 -7.093 3.381
140 H THR 18 HN THR 18 2.170 -3.163 -2.244
141 HA THR 18 HA THR 18 3.880 -1.611 -0.411
142 HB THR 18 HB THR 18 5.127 -3.506 -1.188
143 HG1 THR 18 HG1 THR 18 6.561 -1.945 -1.252
144 HG21 THR 18 HG21 THR 18 3.717 -3.093 -3.654
145 HG22 THR 18 HG22 THR 18 4.646 -4.488 -3.107
146 HG23 THR 18 HG23 THR 18 5.457 -3.156 -3.929
147 H VAL 19 HN VAL 19 1.922 -1.539 -3.216
148 HA VAL 19 HA VAL 19 3.137 0.892 -4.256
149 HB VAL 19 HB VAL 19 0.642 -0.510 -5.223
150 HG11 VAL 19 HG11 VAL 19 0.800 1.793 -5.960
151 HG12 VAL 19 HG12 VAL 19 1.100 0.705 -7.315
152 HG13 VAL 19 HG13 VAL 19 2.448 1.524 -6.527
153 HG21 VAL 19 HG21 VAL 19 2.471 -2.065 -5.362
154 HG22 VAL 19 HG22 VAL 19 3.510 -0.842 -6.093
155 HG23 VAL 19 HG23 VAL 19 2.118 -1.461 -6.981
156 H CYS 20 HN CYS 20 2.725 2.584 -2.928
157 HA CYS 20 HA CYS 20 0.091 2.898 -1.768
158 HB2 CYS 20 HB2 CYS 20 2.762 4.024 -1.293
159 HB3 CYS 20 HB1 CYS 20 1.448 5.177 -1.094
160 H ARG 21 HN ARG 21 -1.488 4.066 -2.600
161 HA ARG 21 HA ARG 21 -0.924 5.806 -4.881
162 HB2 ARG 21 HB2 ARG 21 -2.943 3.954 -4.396
163 HB3 ARG 21 HB1 ARG 21 -3.730 5.503 -4.127
164 HG2 ARG 21 HG2 ARG 21 -3.601 6.106 -6.304
165 HG3 ARG 21 HG1 ARG 21 -2.078 5.253 -6.565
166 HD2 ARG 21 HD2 ARG 21 -3.104 3.324 -7.138
167 HD3 ARG 21 HD1 ARG 21 -4.410 3.552 -5.976
168 HE ARG 21 HE ARG 21 -4.390 4.337 -8.740
169 HH11 ARG 21 HH11 ARG 21 -5.785 4.960 -5.602
170 HH12 ARG 21 HH12 ARG 21 -7.231 5.664 -6.246
171 HH21 ARG 21 HH21 ARG 21 -6.290 5.263 -9.588
172 HH22 ARG 21 HH22 ARG 21 -7.518 5.836 -8.508
173 H ASP 22 HN ASP 22 -3.316 7.419 -4.504
174 HA ASP 22 HA ASP 22 -2.280 9.543 -3.068
175 HB2 ASP 22 HB2 ASP 22 -4.299 9.461 -4.692
176 HB3 ASP 22 HB1 ASP 22 -5.249 9.094 -3.255
177 H GLY 23 HN GLY 23 -1.449 8.807 -1.096
178 HA2 GLY 23 HA2 GLY 23 -1.488 8.423 1.165
179 HA3 GLY 23 HA1 GLY 23 -3.119 9.080 1.144
180 H CYS 24 HN CYS 24 -2.446 6.332 -0.845
181 HA CYS 24 HA CYS 24 -3.773 4.592 1.132
182 HB2 CYS 24 HB2 CYS 24 -4.628 5.329 -1.516
183 HB3 CYS 24 HB1 CYS 24 -4.356 3.592 -1.437
184 H CYS 25 HN CYS 25 -3.470 2.249 0.670
185 HA CYS 25 HA CYS 25 -0.789 1.672 -0.431
186 HB2 CYS 25 HB2 CYS 25 -1.449 1.542 2.228
187 HB3 CYS 25 HB1 CYS 25 -1.778 -0.104 1.706
188 H ASN 26 HN ASN 26 -0.725 0.070 -1.898
189 HA ASN 26 HA ASN 26 -2.719 -2.027 -1.891
190 HB2 ASN 26 HB2 ASN 26 -3.321 -1.620 -4.291
191 HB3 ASN 26 HB1 ASN 26 -3.914 -0.390 -3.180
192 HD21 ASN 26 HD21 ASN 26 -2.964 1.656 -3.183
193 HD22 ASN 26 HD22 ASN 26 -2.009 2.213 -4.511
194 H ILE 27 HN ILE 27 -2.328 -3.477 -3.924
195 HA ILE 27 HA ILE 27 0.455 -4.220 -3.820
196 HB ILE 27 HB ILE 27 -1.302 -5.934 -3.748
197 HG12 ILE 27 HG12 ILE 27 -0.343 -7.433 -5.516
198 HG13 ILE 27 HG11 ILE 27 0.526 -6.041 -6.156
199 HG21 ILE 27 HG21 ILE 27 -1.886 -5.042 -6.566
200 HG22 ILE 27 HG22 ILE 27 -2.959 -4.919 -5.172
201 HG23 ILE 27 HG23 ILE 27 -2.530 -6.503 -5.817
202 HD11 ILE 27 HD11 ILE 27 1.300 -7.809 -4.096
203 HD12 ILE 27 HD12 ILE 27 1.060 -6.217 -3.376
204 HD13 ILE 27 HD13 ILE 27 2.170 -6.414 -4.733
205 H SER 28 HN SER 28 -1.762 -2.814 -6.146
206 HA SER 28 HA SER 28 0.258 -1.602 -7.663
207 HB2 SER 28 HB2 SER 28 0.842 -3.786 -8.484
208 HB3 SER 28 HB1 SER 28 -0.845 -4.168 -8.824
209 HG SER 28 HG SER 28 -0.269 -3.486 -10.747
Start of MODEL 9
1 H1 GLN 1 HT1 GLN 1 -9.190 -4.506 -5.421
2 H2 GLN 1 HT2 GLN 1 -8.061 -5.716 -4.968
3 H3 GLN 1 HT3 GLN 1 -7.999 -5.027 -6.539
4 HA GLN 1 HA GLN 1 -6.299 -4.227 -4.980
5 HB2 GLN 1 HB2 GLN 1 -8.188 -2.705 -6.638
6 HB3 GLN 1 HB1 GLN 1 -7.299 -1.716 -5.488
7 HG2 GLN 1 HG2 GLN 1 -5.347 -3.322 -6.575
8 HG3 GLN 1 HG1 GLN 1 -6.408 -2.984 -7.942
9 HE21 GLN 1 HE21 GLN 1 -4.134 -1.702 -5.700
10 HE22 GLN 1 HE22 GLN 1 -4.009 -0.125 -6.394
11 H LEU 2 HN LEU 2 -5.802 -2.948 -3.182
12 HA LEU 2 HA LEU 2 -8.020 -2.638 -1.274
13 HB2 LEU 2 HB2 LEU 2 -5.393 -3.758 -1.045
14 HB3 LEU 2 HB1 LEU 2 -5.521 -2.388 0.041
15 HG LEU 2 HG LEU 2 -6.098 -4.400 1.228
16 HD11 LEU 2 HD11 LEU 2 -8.535 -2.739 0.613
17 HD12 LEU 2 HD12 LEU 2 -7.327 -2.417 1.857
18 HD13 LEU 2 HD13 LEU 2 -8.368 -3.835 1.984
19 HD21 LEU 2 HD21 LEU 2 -8.289 -5.558 0.452
20 HD22 LEU 2 HD22 LEU 2 -6.762 -5.970 -0.328
21 HD23 LEU 2 HD23 LEU 2 -7.887 -4.865 -1.119
22 H CYS 3 HN CYS 3 -7.032 -0.950 0.549
23 HA CYS 3 HA CYS 3 -5.836 1.377 -0.632
24 HB2 CYS 3 HB2 CYS 3 -8.437 1.280 -1.173
25 HB3 CYS 3 HB1 CYS 3 -8.557 1.923 0.461
26 H LEU 4 HN LEU 4 -4.655 0.220 1.302
27 HA LEU 4 HA LEU 4 -5.611 0.972 3.915
28 HB2 LEU 4 HB2 LEU 4 -2.802 0.092 3.367
29 HB3 LEU 4 HB1 LEU 4 -3.795 -0.200 4.781
30 HG LEU 4 HG LEU 4 -4.111 -1.526 2.085
31 HD11 LEU 4 HD11 LEU 4 -3.680 -3.525 3.798
32 HD12 LEU 4 HD12 LEU 4 -2.762 -2.259 4.614
33 HD13 LEU 4 HD13 LEU 4 -2.375 -2.696 2.949
34 HD21 LEU 4 HD21 LEU 4 -6.278 -1.243 3.087
35 HD22 LEU 4 HD22 LEU 4 -5.683 -1.829 4.640
36 HD23 LEU 4 HD23 LEU 4 -5.786 -2.927 3.264
37 H LEU 5 HN LEU 5 -5.431 2.951 4.707
38 HA LEU 5 HA LEU 5 -4.213 5.113 3.567
39 HB2 LEU 5 HB2 LEU 5 -5.754 4.827 5.699
40 HB3 LEU 5 HB1 LEU 5 -4.222 4.961 6.541
41 HG LEU 5 HG LEU 5 -4.869 7.030 4.501
42 HD11 LEU 5 HD11 LEU 5 -6.375 8.198 5.784
43 HD12 LEU 5 HD12 LEU 5 -5.904 7.381 7.275
44 HD13 LEU 5 HD13 LEU 5 -6.888 6.537 6.080
45 HD21 LEU 5 HD21 LEU 5 -2.708 6.978 5.688
46 HD22 LEU 5 HD22 LEU 5 -3.567 7.158 7.218
47 HD23 LEU 5 HD23 LEU 5 -3.628 8.447 6.015
48 H CYS 6 HN CYS 6 -2.202 5.829 3.297
49 HA CYS 6 HA CYS 6 -0.098 4.982 5.138
50 HB2 CYS 6 HB2 CYS 6 1.358 4.140 3.479
51 HB3 CYS 6 HB1 CYS 6 -0.200 3.392 3.151
52 H GLN 7 HN GLN 7 2.033 6.141 4.502
53 HA GLN 7 HA GLN 7 1.342 8.929 3.875
54 HB2 GLN 7 HB2 GLN 7 3.667 7.855 5.477
55 HB3 GLN 7 HB1 GLN 7 3.325 9.555 5.182
56 HG2 GLN 7 HG2 GLN 7 1.148 7.983 6.398
57 HG3 GLN 7 HG1 GLN 7 2.578 8.248 7.396
58 HE21 GLN 7 HE21 GLN 7 0.117 9.276 8.082
59 HE22 GLN 7 HE22 GLN 7 0.160 10.998 7.951
60 H THR 8 HN THR 8 4.295 6.965 3.786
61 HA THR 8 HA THR 8 5.191 8.363 1.415
62 HB THR 8 HB THR 8 7.277 7.273 1.727
63 HG1 THR 8 HG1 THR 8 5.813 5.447 3.307
64 HG21 THR 8 HG21 THR 8 6.065 7.813 4.423
65 HG22 THR 8 HG22 THR 8 7.002 8.923 3.423
66 HG23 THR 8 HG23 THR 8 7.780 7.514 4.144
67 H SER 9 HN SER 9 6.438 6.700 -0.164
68 HA SER 9 HA SER 9 4.433 5.453 -1.670
69 HB2 SER 9 HB2 SER 9 6.217 4.629 -3.082
70 HB3 SER 9 HB1 SER 9 6.619 6.266 -2.566
71 HG SER 9 HG SER 9 7.966 5.328 -0.958
72 H ARG 10 HN ARG 10 6.206 4.321 1.046
73 HA ARG 10 HA ARG 10 4.819 1.779 0.891
74 HB2 ARG 10 HB2 ARG 10 7.009 0.572 1.444
75 HB3 ARG 10 HB1 ARG 10 6.754 1.064 -0.224
76 HG2 ARG 10 HG2 ARG 10 8.321 2.768 -0.097
77 HG3 ARG 10 HG1 ARG 10 8.262 2.823 1.666
78 HD2 ARG 10 HD2 ARG 10 9.386 0.557 0.023
79 HD3 ARG 10 HD1 ARG 10 10.339 1.803 0.826
80 HE ARG 10 HE ARG 10 9.177 -0.511 2.027
81 HH11 ARG 10 HH11 ARG 10 10.105 2.798 2.631
82 HH12 ARG 10 HH12 ARG 10 10.318 2.559 4.332
83 HH21 ARG 10 HH21 ARG 10 9.456 -0.827 4.265
84 HH22 ARG 10 HH22 ARG 10 9.950 0.501 5.261
85 H ASP 11 HN ASP 11 3.953 3.373 2.655
86 HA ASP 11 HA ASP 11 5.466 3.064 5.148
87 HB2 ASP 11 HB2 ASP 11 3.693 5.092 4.087
88 HB3 ASP 11 HB1 ASP 11 3.130 4.542 5.662
89 H CYS 12 HN CYS 12 4.133 0.841 3.876
90 HA CYS 12 HA CYS 12 2.027 0.258 5.847
91 HB2 CYS 12 HB2 CYS 12 2.053 -1.602 3.640
92 HB3 CYS 12 HB1 CYS 12 0.753 -0.553 4.190
93 H ASN 13 HN ASN 13 4.918 -0.934 4.253
94 HA ASN 13 HA ASN 13 6.448 -2.504 4.855
95 HB2 ASN 13 HB2 ASN 13 5.696 -1.464 7.226
96 HB3 ASN 13 HB1 ASN 13 5.178 -3.131 7.459
97 HD21 ASN 13 HD21 ASN 13 6.665 -3.855 8.851
98 HD22 ASN 13 HD22 ASN 13 8.366 -3.886 8.550
99 H TYR 14 HN TYR 14 3.607 -3.135 3.834
100 HA TYR 14 HA TYR 14 3.302 -5.891 4.714
101 HB2 TYR 14 HB2 TYR 14 1.676 -4.066 2.959
102 HB3 TYR 14 HB1 TYR 14 1.357 -5.796 3.017
103 HD1 TYR 14 HD1 TYR 14 1.538 -2.745 5.120
104 HD2 TYR 14 HD2 TYR 14 0.079 -6.723 4.761
105 HE1 TYR 14 HE1 TYR 14 0.160 -2.411 7.126
106 HE2 TYR 14 HE2 TYR 14 -1.306 -6.402 6.768
107 HH TYR 14 HH TYR 14 -1.053 -4.696 8.925
108 H ILE 15 HN ILE 15 2.956 -7.581 3.015
109 HA ILE 15 HA ILE 15 5.140 -7.424 1.094
110 HB ILE 15 HB ILE 15 4.285 -9.904 0.675
111 HG12 ILE 15 HG12 ILE 15 2.381 -9.389 2.395
112 HG13 ILE 15 HG11 ILE 15 3.193 -10.948 2.438
113 HG21 ILE 15 HG21 ILE 15 6.149 -8.705 2.611
114 HG22 ILE 15 HG22 ILE 15 6.436 -9.876 1.324
115 HG23 ILE 15 HG23 ILE 15 5.759 -10.406 2.864
116 HD11 ILE 15 HD11 ILE 15 2.782 -9.337 4.581
117 HD12 ILE 15 HD12 ILE 15 4.431 -8.906 4.125
118 HD13 ILE 15 HD13 ILE 15 4.024 -10.585 4.479
119 H ILE 16 HN ILE 16 1.661 -8.129 1.118
120 HA ILE 16 HA ILE 16 1.592 -8.058 -1.788
121 HB ILE 16 HB ILE 16 -0.565 -8.930 -1.708
122 HG12 ILE 16 HG12 ILE 16 -1.615 -7.321 -0.217
123 HG13 ILE 16 HG11 ILE 16 -1.987 -8.953 0.326
124 HG21 ILE 16 HG21 ILE 16 0.640 -10.052 0.809
125 HG22 ILE 16 HG22 ILE 16 1.221 -10.440 -0.811
126 HG23 ILE 16 HG23 ILE 16 -0.425 -10.864 -0.339
127 HD11 ILE 16 HD11 ILE 16 -0.098 -6.971 1.542
128 HD12 ILE 16 HD12 ILE 16 -0.065 -8.685 1.956
129 HD13 ILE 16 HD13 ILE 16 -1.516 -7.732 2.263
130 H TRP 17 HN TRP 17 1.907 -5.674 0.246
131 HA TRP 17 HA TRP 17 0.265 -3.866 -1.345
132 HB2 TRP 17 HB2 TRP 17 0.105 -4.083 1.665
133 HB3 TRP 17 HB1 TRP 17 -0.458 -2.675 0.771
134 HD1 TRP 17 HD1 TRP 17 -1.988 -4.026 -1.597
135 HE1 TRP 17 HE1 TRP 17 -4.156 -5.342 -1.169
136 HE3 TRP 17 HE3 TRP 17 -1.342 -5.066 3.366
137 HZ2 TRP 17 HZ2 TRP 17 -5.424 -6.655 0.986
138 HZ3 TRP 17 HZ3 TRP 17 -3.078 -6.358 4.537
139 HH2 TRP 17 HH2 TRP 17 -5.077 -7.134 3.370
140 H THR 18 HN THR 18 2.274 -3.200 -2.214
141 HA THR 18 HA THR 18 3.914 -1.603 -0.357
142 HB THR 18 HB THR 18 4.981 -2.738 -2.925
143 HG1 THR 18 HG1 THR 18 5.389 -4.613 -1.991
144 HG21 THR 18 HG21 THR 18 6.190 -0.996 -1.423
145 HG22 THR 18 HG22 THR 18 7.078 -2.374 -2.075
146 HG23 THR 18 HG23 THR 18 6.523 -2.395 -0.401
147 H VAL 19 HN VAL 19 1.914 -1.523 -3.103
148 HA VAL 19 HA VAL 19 3.129 0.878 -4.213
149 HB VAL 19 HB VAL 19 0.558 -0.450 -5.073
150 HG11 VAL 19 HG11 VAL 19 0.447 1.464 -6.246
151 HG12 VAL 19 HG12 VAL 19 1.648 0.688 -7.279
152 HG13 VAL 19 HG13 VAL 19 2.161 1.818 -6.026
153 HG21 VAL 19 HG21 VAL 19 3.396 -0.983 -5.927
154 HG22 VAL 19 HG22 VAL 19 1.992 -1.459 -6.882
155 HG23 VAL 19 HG23 VAL 19 2.228 -2.128 -5.267
156 H CYS 20 HN CYS 20 2.778 2.653 -2.999
157 HA CYS 20 HA CYS 20 0.215 3.031 -1.690
158 HB2 CYS 20 HB2 CYS 20 2.911 4.201 -1.443
159 HB3 CYS 20 HB1 CYS 20 1.576 5.310 -1.148
160 H ARG 21 HN ARG 21 -1.389 4.189 -2.461
161 HA ARG 21 HA ARG 21 -0.908 5.920 -4.781
162 HB2 ARG 21 HB2 ARG 21 -2.727 3.914 -4.516
163 HB3 ARG 21 HB1 ARG 21 -3.687 5.288 -3.984
164 HG2 ARG 21 HG2 ARG 21 -3.772 6.203 -6.046
165 HG3 ARG 21 HG1 ARG 21 -2.153 5.652 -6.479
166 HD2 ARG 21 HD2 ARG 21 -3.298 3.286 -6.410
167 HD3 ARG 21 HD1 ARG 21 -4.764 4.229 -6.672
168 HE ARG 21 HE ARG 21 -4.082 4.636 -8.822
169 HH11 ARG 21 HH11 ARG 21 -1.387 3.383 -6.992
170 HH12 ARG 21 HH12 ARG 21 -0.370 3.197 -8.381
171 HH21 ARG 21 HH21 ARG 21 -2.745 4.391 -10.650
172 HH22 ARG 21 HH22 ARG 21 -1.140 3.770 -10.457
173 H ASP 22 HN ASP 22 -3.340 7.397 -4.504
174 HA ASP 22 HA ASP 22 -2.540 9.574 -3.036
175 HB2 ASP 22 HB2 ASP 22 -5.170 8.628 -4.056
176 HB3 ASP 22 HB1 ASP 22 -5.183 9.944 -2.886
177 H GLY 23 HN GLY 23 -1.699 8.927 -1.036
178 HA2 GLY 23 HA2 GLY 23 -1.757 8.588 1.230
179 HA3 GLY 23 HA1 GLY 23 -3.425 9.131 1.162
180 H CYS 24 HN CYS 24 -2.722 6.402 -0.791
181 HA CYS 24 HA CYS 24 -3.789 4.615 1.298
182 HB2 CYS 24 HB2 CYS 24 -4.854 5.236 -1.336
183 HB3 CYS 24 HB1 CYS 24 -4.577 3.509 -1.135
184 H CYS 25 HN CYS 25 -3.382 2.279 0.820
185 HA CYS 25 HA CYS 25 -0.864 1.858 -0.640
186 HB2 CYS 25 HB2 CYS 25 -0.284 2.024 1.712
187 HB3 CYS 25 HB1 CYS 25 -1.528 0.854 2.134
188 H ASN 26 HN ASN 26 -0.930 0.199 -2.001
189 HA ASN 26 HA ASN 26 -2.559 -2.128 -1.466
190 HB2 ASN 26 HB2 ASN 26 -3.651 -1.926 -3.773
191 HB3 ASN 26 HB1 ASN 26 -4.278 -0.882 -2.501
192 HD21 ASN 26 HD21 ASN 26 -5.077 0.625 -3.930
193 HD22 ASN 26 HD22 ASN 26 -4.057 1.678 -4.844
194 H ILE 27 HN ILE 27 -2.471 -3.527 -3.676
195 HA ILE 27 HA ILE 27 0.341 -4.014 -4.060
196 HB ILE 27 HB ILE 27 -1.232 -5.882 -3.803
197 HG12 ILE 27 HG12 ILE 27 -0.446 -7.225 -5.759
198 HG13 ILE 27 HG11 ILE 27 0.164 -5.741 -6.484
199 HG21 ILE 27 HG21 ILE 27 -2.341 -4.933 -6.440
200 HG22 ILE 27 HG22 ILE 27 -3.178 -4.967 -4.888
201 HG23 ILE 27 HG23 ILE 27 -2.728 -6.477 -5.681
202 HD11 ILE 27 HD11 ILE 27 1.081 -6.979 -3.900
203 HD12 ILE 27 HD12 ILE 27 1.660 -5.447 -4.556
204 HD13 ILE 27 HD13 ILE 27 1.958 -6.950 -5.430
205 H SER 28 HN SER 28 -2.320 -2.706 -5.933
206 HA SER 28 HA SER 28 -0.568 -2.407 -8.265
207 HB2 SER 28 HB2 SER 28 -3.496 -2.601 -7.872
208 HB3 SER 28 HB1 SER 28 -2.963 -1.487 -9.131
209 HG SER 28 HG SER 28 -2.072 -3.130 -10.233
Start of MODEL 10
1 H1 GLN 1 HT1 GLN 1 -8.707 -2.534 -5.949
2 H2 GLN 1 HT2 GLN 1 -9.208 -4.171 -5.825
3 H3 GLN 1 HT3 GLN 1 -7.969 -3.732 -6.928
4 HA GLN 1 HA GLN 1 -7.285 -4.826 -4.808
5 HB2 GLN 1 HB2 GLN 1 -5.383 -3.121 -4.583
6 HB3 GLN 1 HB1 GLN 1 -5.628 -3.851 -6.163
7 HG2 GLN 1 HG2 GLN 1 -7.020 -1.789 -6.713
8 HG3 GLN 1 HG1 GLN 1 -6.317 -1.078 -5.260
9 HE21 GLN 1 HE21 GLN 1 -4.390 -0.143 -5.408
10 HE22 GLN 1 HE22 GLN 1 -3.331 -0.239 -6.769
11 H LEU 2 HN LEU 2 -6.074 -3.662 -2.790
12 HA LEU 2 HA LEU 2 -8.197 -2.212 -1.350
13 HB2 LEU 2 HB2 LEU 2 -8.011 -4.367 -0.382
14 HB3 LEU 2 HB1 LEU 2 -6.261 -4.316 -0.414
15 HG LEU 2 HG LEU 2 -6.122 -2.996 1.485
16 HD11 LEU 2 HD11 LEU 2 -8.705 -1.924 0.571
17 HD12 LEU 2 HD12 LEU 2 -7.335 -1.108 1.324
18 HD13 LEU 2 HD13 LEU 2 -8.485 -2.001 2.319
19 HD21 LEU 2 HD21 LEU 2 -6.964 -4.420 2.979
20 HD22 LEU 2 HD22 LEU 2 -7.675 -5.269 1.607
21 HD23 LEU 2 HD23 LEU 2 -8.625 -4.078 2.495
22 H CYS 3 HN CYS 3 -7.697 -0.188 -0.874
23 HA CYS 3 HA CYS 3 -4.866 0.571 -0.688
24 HB2 CYS 3 HB2 CYS 3 -7.142 1.795 -1.921
25 HB3 CYS 3 HB1 CYS 3 -6.530 2.874 -0.672
26 H LEU 4 HN LEU 4 -4.304 0.198 1.400
27 HA LEU 4 HA LEU 4 -6.036 0.920 3.587
28 HB2 LEU 4 HB2 LEU 4 -3.120 0.207 3.794
29 HB3 LEU 4 HB1 LEU 4 -4.368 0.022 5.011
30 HG LEU 4 HG LEU 4 -4.332 -1.547 2.435
31 HD11 LEU 4 HD11 LEU 4 -3.689 -3.372 4.271
32 HD12 LEU 4 HD12 LEU 4 -2.904 -1.967 4.991
33 HD13 LEU 4 HD13 LEU 4 -2.481 -2.471 3.355
34 HD21 LEU 4 HD21 LEU 4 -5.912 -1.710 4.987
35 HD22 LEU 4 HD22 LEU 4 -5.796 -3.057 3.855
36 HD23 LEU 4 HD23 LEU 4 -6.508 -1.528 3.337
37 H LEU 5 HN LEU 5 -4.447 2.044 5.470
38 HA LEU 5 HA LEU 5 -4.285 4.763 4.549
39 HB2 LEU 5 HB2 LEU 5 -4.942 3.735 6.910
40 HB3 LEU 5 HB1 LEU 5 -3.228 3.953 7.212
41 HG LEU 5 HG LEU 5 -3.666 6.391 6.373
42 HD11 LEU 5 HD11 LEU 5 -6.381 5.284 6.743
43 HD12 LEU 5 HD12 LEU 5 -5.811 6.568 5.676
44 HD13 LEU 5 HD13 LEU 5 -6.083 6.898 7.387
45 HD21 LEU 5 HD21 LEU 5 -3.210 5.352 8.762
46 HD22 LEU 5 HD22 LEU 5 -4.870 5.881 9.039
47 HD23 LEU 5 HD23 LEU 5 -3.641 7.050 8.556
48 H CYS 6 HN CYS 6 -2.549 5.761 3.748
49 HA CYS 6 HA CYS 6 0.117 4.921 4.593
50 HB2 CYS 6 HB2 CYS 6 -0.412 3.608 2.554
51 HB3 CYS 6 HB1 CYS 6 -0.651 5.113 1.675
52 H GLN 7 HN GLN 7 1.796 6.453 4.048
53 HA GLN 7 HA GLN 7 0.749 9.155 3.510
54 HB2 GLN 7 HB2 GLN 7 3.090 8.536 5.308
55 HB3 GLN 7 HB1 GLN 7 2.270 10.078 5.106
56 HG2 GLN 7 HG2 GLN 7 0.763 7.709 6.115
57 HG3 GLN 7 HG1 GLN 7 1.804 8.627 7.201
58 HE21 GLN 7 HE21 GLN 7 1.462 11.119 6.825
59 HE22 GLN 7 HE22 GLN 7 -0.190 11.620 6.885
60 H THR 8 HN THR 8 3.430 6.911 3.139
61 HA THR 8 HA THR 8 4.612 8.718 1.136
62 HB THR 8 HB THR 8 6.068 8.215 3.072
63 HG1 THR 8 HG1 THR 8 7.784 8.021 1.824
64 HG21 THR 8 HG21 THR 8 6.039 6.183 3.952
65 HG22 THR 8 HG22 THR 8 7.022 5.676 2.577
66 HG23 THR 8 HG23 THR 8 5.268 5.491 2.525
67 H SER 9 HN SER 9 6.328 6.697 0.019
68 HA SER 9 HA SER 9 4.491 5.556 -1.864
69 HB2 SER 9 HB2 SER 9 7.467 5.643 -1.569
70 HB3 SER 9 HB1 SER 9 6.754 4.453 -2.658
71 HG SER 9 HG SER 9 5.798 6.122 -3.808
72 H ARG 10 HN ARG 10 6.187 4.434 0.958
73 HA ARG 10 HA ARG 10 4.725 1.939 0.836
74 HB2 ARG 10 HB2 ARG 10 6.851 0.620 1.289
75 HB3 ARG 10 HB1 ARG 10 6.612 1.182 -0.359
76 HG2 ARG 10 HG2 ARG 10 8.716 1.909 -0.201
77 HG3 ARG 10 HG1 ARG 10 8.024 3.245 0.720
78 HD2 ARG 10 HD2 ARG 10 8.854 2.496 2.680
79 HD3 ARG 10 HD1 ARG 10 8.597 0.803 2.261
80 HE ARG 10 HE ARG 10 10.782 0.712 1.643
81 HH11 ARG 10 HH11 ARG 10 9.735 4.032 1.403
82 HH12 ARG 10 HH12 ARG 10 11.300 4.625 0.958
83 HH21 ARG 10 HH21 ARG 10 12.841 1.490 1.058
84 HH22 ARG 10 HH22 ARG 10 13.063 3.182 0.762
85 H ASP 11 HN ASP 11 3.903 3.418 2.623
86 HA ASP 11 HA ASP 11 5.509 3.232 5.064
87 HB2 ASP 11 HB2 ASP 11 4.072 5.317 4.119
88 HB3 ASP 11 HB1 ASP 11 2.857 4.549 5.138
89 H CYS 12 HN CYS 12 4.306 0.891 3.883
90 HA CYS 12 HA CYS 12 2.440 0.157 6.038
91 HB2 CYS 12 HB2 CYS 12 1.905 -1.620 3.981
92 HB3 CYS 12 HB1 CYS 12 0.924 -0.229 4.425
93 H ASN 13 HN ASN 13 4.934 -0.963 3.809
94 HA ASN 13 HA ASN 13 6.539 -2.562 3.997
95 HB2 ASN 13 HB2 ASN 13 6.589 -1.506 6.393
96 HB3 ASN 13 HB1 ASN 13 5.841 -3.025 6.875
97 HD21 ASN 13 HD21 ASN 13 7.155 -4.613 7.392
98 HD22 ASN 13 HD22 ASN 13 8.815 -4.751 6.932
99 H TYR 14 HN TYR 14 3.659 -3.201 3.491
100 HA TYR 14 HA TYR 14 3.405 -5.901 4.550
101 HB2 TYR 14 HB2 TYR 14 1.581 -4.306 2.736
102 HB3 TYR 14 HB1 TYR 14 1.216 -5.899 3.390
103 HD1 TYR 14 HD1 TYR 14 -0.072 -2.961 3.710
104 HD2 TYR 14 HD2 TYR 14 2.233 -5.549 6.177
105 HE1 TYR 14 HE1 TYR 14 -1.041 -1.909 5.709
106 HE2 TYR 14 HE2 TYR 14 1.269 -4.505 8.184
107 HH TYR 14 HH TYR 14 -0.363 -1.605 8.143
108 H ILE 15 HN ILE 15 2.746 -7.649 2.971
109 HA ILE 15 HA ILE 15 4.702 -7.694 0.819
110 HB ILE 15 HB ILE 15 4.163 -10.075 0.609
111 HG12 ILE 15 HG12 ILE 15 2.158 -9.502 2.804
112 HG13 ILE 15 HG11 ILE 15 1.801 -10.048 1.170
113 HG21 ILE 15 HG21 ILE 15 4.616 -9.278 3.481
114 HG22 ILE 15 HG22 ILE 15 5.854 -9.286 2.225
115 HG23 ILE 15 HG23 ILE 15 5.088 -10.796 2.717
116 HD11 ILE 15 HD11 ILE 15 1.639 -12.023 2.261
117 HD12 ILE 15 HD12 ILE 15 2.804 -11.563 3.502
118 HD13 ILE 15 HD13 ILE 15 3.366 -12.053 1.903
119 H ILE 16 HN ILE 16 1.202 -8.124 1.227
120 HA ILE 16 HA ILE 16 0.830 -8.155 -1.660
121 HB ILE 16 HB ILE 16 -1.676 -8.239 -0.903
122 HG12 ILE 16 HG12 ILE 16 -2.061 -9.225 1.258
123 HG13 ILE 16 HG11 ILE 16 -0.333 -9.342 1.573
124 HG21 ILE 16 HG21 ILE 16 -1.589 -10.447 -1.353
125 HG22 ILE 16 HG22 ILE 16 -0.296 -10.746 -0.191
126 HG23 ILE 16 HG23 ILE 16 0.080 -10.061 -1.772
127 HD11 ILE 16 HD11 ILE 16 -1.435 -6.650 1.061
128 HD12 ILE 16 HD12 ILE 16 -0.164 -7.164 2.167
129 HD13 ILE 16 HD13 ILE 16 -1.856 -7.425 2.585
130 H TRP 17 HN TRP 17 1.454 -5.745 0.332
131 HA TRP 17 HA TRP 17 -0.022 -3.825 -1.257
132 HB2 TRP 17 HB2 TRP 17 -0.378 -4.080 1.732
133 HB3 TRP 17 HB1 TRP 17 -0.742 -2.599 0.858
134 HD1 TRP 17 HD1 TRP 17 -2.273 -3.718 -1.633
135 HE1 TRP 17 HE1 TRP 17 -4.583 -4.814 -1.358
136 HE3 TRP 17 HE3 TRP 17 -2.007 -4.942 3.321
137 HZ2 TRP 17 HZ2 TRP 17 -6.094 -6.037 0.688
138 HZ3 TRP 17 HZ3 TRP 17 -3.928 -6.071 4.363
139 HH2 TRP 17 HH2 TRP 17 -5.930 -6.606 3.072
140 H THR 18 HN THR 18 2.000 -3.181 -2.023
141 HA THR 18 HA THR 18 3.678 -1.777 -0.051
142 HB THR 18 HB THR 18 5.653 -2.422 -1.209
143 HG1 THR 18 HG1 THR 18 4.025 -3.670 -3.162
144 HG21 THR 18 HG21 THR 18 3.843 -4.455 -0.306
145 HG22 THR 18 HG22 THR 18 5.600 -4.374 -0.178
146 HG23 THR 18 HG23 THR 18 4.852 -5.059 -1.621
147 H VAL 19 HN VAL 19 1.927 -1.577 -2.994
148 HA VAL 19 HA VAL 19 3.328 0.809 -3.899
149 HB VAL 19 HB VAL 19 0.858 -0.469 -5.081
150 HG11 VAL 19 HG11 VAL 19 1.619 0.736 -7.131
151 HG12 VAL 19 HG12 VAL 19 2.826 1.553 -6.138
152 HG13 VAL 19 HG13 VAL 19 1.109 1.793 -5.815
153 HG21 VAL 19 HG21 VAL 19 2.703 -2.067 -5.046
154 HG22 VAL 19 HG22 VAL 19 3.754 -0.883 -5.823
155 HG23 VAL 19 HG23 VAL 19 2.363 -1.531 -6.692
156 H CYS 20 HN CYS 20 2.882 2.518 -2.599
157 HA CYS 20 HA CYS 20 0.217 2.913 -1.575
158 HB2 CYS 20 HB2 CYS 20 2.831 4.328 -1.222
159 HB3 CYS 20 HB1 CYS 20 1.333 5.101 -0.715
160 H ARG 21 HN ARG 21 -1.306 4.197 -2.324
161 HA ARG 21 HA ARG 21 -0.667 5.931 -4.612
162 HB2 ARG 21 HB2 ARG 21 -2.453 3.851 -4.537
163 HB3 ARG 21 HB1 ARG 21 -3.491 5.221 -4.171
164 HG2 ARG 21 HG2 ARG 21 -2.185 6.239 -6.262
165 HG3 ARG 21 HG1 ARG 21 -2.073 4.525 -6.666
166 HD2 ARG 21 HD2 ARG 21 -4.363 4.284 -6.853
167 HD3 ARG 21 HD1 ARG 21 -4.697 5.680 -5.828
168 HE ARG 21 HE ARG 21 -4.595 7.022 -7.680
169 HH11 ARG 21 HH11 ARG 21 -3.198 3.919 -8.456
170 HH12 ARG 21 HH12 ARG 21 -3.063 4.263 -10.148
171 HH21 ARG 21 HH21 ARG 21 -4.418 7.475 -9.905
172 HH22 ARG 21 HH22 ARG 21 -3.755 6.282 -10.971
173 H ASP 22 HN ASP 22 -3.352 7.168 -4.425
174 HA ASP 22 HA ASP 22 -2.816 9.459 -3.063
175 HB2 ASP 22 HB2 ASP 22 -4.905 8.637 -4.524
176 HB3 ASP 22 HB1 ASP 22 -5.638 8.541 -2.926
177 H GLY 23 HN GLY 23 -1.767 9.027 -1.103
178 HA2 GLY 23 HA2 GLY 23 -1.599 8.709 1.159
179 HA3 GLY 23 HA1 GLY 23 -3.278 9.219 1.206
180 H CYS 24 HN CYS 24 -2.501 6.344 -0.584
181 HA CYS 24 HA CYS 24 -3.344 4.703 1.701
182 HB2 CYS 24 HB2 CYS 24 -4.815 3.375 0.237
183 HB3 CYS 24 HB1 CYS 24 -5.332 5.054 0.345
184 H CYS 25 HN CYS 25 -3.045 2.323 1.259
185 HA CYS 25 HA CYS 25 -0.573 1.878 -0.292
186 HB2 CYS 25 HB2 CYS 25 -0.115 1.780 2.102
187 HB3 CYS 25 HB1 CYS 25 -1.412 0.612 2.325
188 H ASN 26 HN ASN 26 -0.720 0.430 -1.865
189 HA ASN 26 HA ASN 26 -2.702 -1.722 -1.650
190 HB2 ASN 26 HB2 ASN 26 -3.415 -1.389 -3.956
191 HB3 ASN 26 HB1 ASN 26 -3.683 0.081 -3.025
192 HD21 ASN 26 HD21 ASN 26 -2.667 1.925 -3.601
193 HD22 ASN 26 HD22 ASN 26 -1.615 2.068 -4.963
194 H ILE 27 HN ILE 27 -2.336 -3.056 -3.933
195 HA ILE 27 HA ILE 27 0.371 -4.066 -3.641
196 HB ILE 27 HB ILE 27 -1.508 -5.651 -3.699
197 HG12 ILE 27 HG12 ILE 27 -0.138 -6.293 -6.241
198 HG13 ILE 27 HG11 ILE 27 0.918 -5.934 -4.878
199 HG21 ILE 27 HG21 ILE 27 -2.672 -6.075 -5.837
200 HG22 ILE 27 HG22 ILE 27 -1.889 -4.648 -6.515
201 HG23 ILE 27 HG23 ILE 27 -3.016 -4.480 -5.169
202 HD11 ILE 27 HD11 ILE 27 -0.420 -8.342 -5.480
203 HD12 ILE 27 HD12 ILE 27 -1.118 -7.703 -3.991
204 HD13 ILE 27 HD13 ILE 27 0.621 -7.978 -4.103
205 H SER 28 HN SER 28 -1.637 -2.482 -6.048
206 HA SER 28 HA SER 28 0.525 -1.356 -7.428
207 HB2 SER 28 HB2 SER 28 0.291 -2.648 -9.586
208 HB3 SER 28 HB1 SER 28 1.053 -3.538 -8.269
209 HG SER 28 HG SER 28 -0.625 -4.840 -8.156
Start of MODEL 11
1 H1 GLN 1 HT1 GLN 1 -7.902 -4.658 -6.506
2 H2 GLN 1 HT2 GLN 1 -9.168 -3.938 -5.598
3 H3 GLN 1 HT3 GLN 1 -8.127 -5.087 -4.862
4 HA GLN 1 HA GLN 1 -6.281 -3.621 -5.122
5 HB2 GLN 1 HB2 GLN 1 -8.286 -2.215 -6.751
6 HB3 GLN 1 HB1 GLN 1 -7.354 -1.162 -5.696
7 HG2 GLN 1 HG2 GLN 1 -6.289 -3.032 -7.796
8 HG3 GLN 1 HG1 GLN 1 -6.290 -1.269 -7.834
9 HE21 GLN 1 HE21 GLN 1 -4.796 -0.138 -6.625
10 HE22 GLN 1 HE22 GLN 1 -3.425 -0.892 -5.892
11 H LEU 2 HN LEU 2 -5.877 -3.231 -3.051
12 HA LEU 2 HA LEU 2 -7.990 -2.553 -1.216
13 HB2 LEU 2 HB2 LEU 2 -5.356 -3.668 -1.060
14 HB3 LEU 2 HB1 LEU 2 -5.460 -2.306 0.039
15 HG LEU 2 HG LEU 2 -6.002 -4.320 1.231
16 HD11 LEU 2 HD11 LEU 2 -8.260 -3.780 2.035
17 HD12 LEU 2 HD12 LEU 2 -8.468 -2.683 0.671
18 HD13 LEU 2 HD13 LEU 2 -7.238 -2.351 1.890
19 HD21 LEU 2 HD21 LEU 2 -7.307 -5.995 0.480
20 HD22 LEU 2 HD22 LEU 2 -6.945 -5.293 -1.097
21 HD23 LEU 2 HD23 LEU 2 -8.459 -4.899 -0.283
22 H CYS 3 HN CYS 3 -7.053 -0.864 0.586
23 HA CYS 3 HA CYS 3 -5.836 1.466 -0.568
24 HB2 CYS 3 HB2 CYS 3 -8.463 1.329 -1.113
25 HB3 CYS 3 HB1 CYS 3 -8.547 2.070 0.482
26 H LEU 4 HN LEU 4 -4.643 0.391 1.361
27 HA LEU 4 HA LEU 4 -5.658 1.056 3.974
28 HB2 LEU 4 HB2 LEU 4 -2.812 0.299 3.399
29 HB3 LEU 4 HB1 LEU 4 -3.763 -0.014 4.838
30 HG LEU 4 HG LEU 4 -4.117 -1.369 2.160
31 HD11 LEU 4 HD11 LEU 4 -2.636 -2.041 4.635
32 HD12 LEU 4 HD12 LEU 4 -2.284 -2.443 2.955
33 HD13 LEU 4 HD13 LEU 4 -3.517 -3.344 3.837
34 HD21 LEU 4 HD21 LEU 4 -5.646 -2.857 3.476
35 HD22 LEU 4 HD22 LEU 4 -6.250 -1.222 3.208
36 HD23 LEU 4 HD23 LEU 4 -5.579 -1.668 4.777
37 H LEU 5 HN LEU 5 -5.217 2.820 5.176
38 HA LEU 5 HA LEU 5 -4.442 5.216 4.118
39 HB2 LEU 5 HB2 LEU 5 -4.163 4.218 6.948
40 HB3 LEU 5 HB1 LEU 5 -3.879 5.887 6.490
41 HG LEU 5 HG LEU 5 -6.499 4.490 5.981
42 HD11 LEU 5 HD11 LEU 5 -5.573 4.827 8.471
43 HD12 LEU 5 HD12 LEU 5 -7.276 4.989 8.043
44 HD13 LEU 5 HD13 LEU 5 -6.265 6.426 8.197
45 HD21 LEU 5 HD21 LEU 5 -6.139 7.423 6.348
46 HD22 LEU 5 HD22 LEU 5 -7.328 6.542 5.388
47 HD23 LEU 5 HD23 LEU 5 -5.667 6.692 4.814
48 H CYS 6 HN CYS 6 -2.610 5.974 3.295
49 HA CYS 6 HA CYS 6 -0.060 5.101 4.461
50 HB2 CYS 6 HB2 CYS 6 -0.436 3.731 2.466
51 HB3 CYS 6 HB1 CYS 6 -0.664 5.182 1.498
52 H GLN 7 HN GLN 7 1.730 6.527 4.029
53 HA GLN 7 HA GLN 7 0.876 9.266 3.355
54 HB2 GLN 7 HB2 GLN 7 3.157 8.675 5.216
55 HB3 GLN 7 HB1 GLN 7 2.221 10.154 5.057
56 HG2 GLN 7 HG2 GLN 7 0.250 8.847 5.947
57 HG3 GLN 7 HG1 GLN 7 1.400 7.572 6.348
58 HE21 GLN 7 HE21 GLN 7 -0.021 8.597 8.355
59 HE22 GLN 7 HE22 GLN 7 0.951 9.615 9.356
60 H THR 8 HN THR 8 3.498 6.917 3.270
61 HA THR 8 HA THR 8 4.914 8.587 1.310
62 HB THR 8 HB THR 8 6.907 7.428 1.874
63 HG1 THR 8 HG1 THR 8 5.338 5.603 3.371
64 HG21 THR 8 HG21 THR 8 7.177 8.418 3.827
65 HG22 THR 8 HG22 THR 8 6.151 7.222 4.618
66 HG23 THR 8 HG23 THR 8 5.433 8.668 3.909
67 H SER 9 HN SER 9 6.462 6.332 0.290
68 HA SER 9 HA SER 9 4.553 5.415 -1.681
69 HB2 SER 9 HB2 SER 9 7.520 5.433 -1.421
70 HB3 SER 9 HB1 SER 9 6.801 4.203 -2.460
71 HG SER 9 HG SER 9 6.460 7.014 -2.653
72 H ARG 10 HN ARG 10 6.169 4.164 1.124
73 HA ARG 10 HA ARG 10 4.668 1.686 0.856
74 HB2 ARG 10 HB2 ARG 10 7.609 1.536 1.480
75 HB3 ARG 10 HB1 ARG 10 6.511 0.223 1.077
76 HG2 ARG 10 HG2 ARG 10 6.380 0.958 -1.205
77 HG3 ARG 10 HG1 ARG 10 7.325 2.401 -0.835
78 HD2 ARG 10 HD2 ARG 10 9.130 0.735 -0.042
79 HD3 ARG 10 HD1 ARG 10 8.213 -0.458 -0.960
80 HE ARG 10 HE ARG 10 9.053 0.446 -2.878
81 HH11 ARG 10 HH11 ARG 10 9.414 2.781 -0.309
82 HH12 ARG 10 HH12 ARG 10 10.325 3.891 -1.277
83 HH21 ARG 10 HH21 ARG 10 10.251 1.905 -4.152
84 HH22 ARG 10 HH22 ARG 10 10.800 3.394 -3.459
85 H ASP 11 HN ASP 11 3.612 3.003 2.596
86 HA ASP 11 HA ASP 11 5.022 2.920 5.155
87 HB2 ASP 11 HB2 ASP 11 3.593 4.922 4.199
88 HB3 ASP 11 HB1 ASP 11 2.248 3.999 4.863
89 H CYS 12 HN CYS 12 3.938 0.530 3.716
90 HA CYS 12 HA CYS 12 1.982 -0.382 5.716
91 HB2 CYS 12 HB2 CYS 12 2.394 -0.999 2.832
92 HB3 CYS 12 HB1 CYS 12 1.801 -2.294 3.864
93 H ASN 13 HN ASN 13 4.933 -1.245 3.997
94 HA ASN 13 HA ASN 13 6.694 -2.564 4.589
95 HB2 ASN 13 HB2 ASN 13 6.080 -1.624 6.938
96 HB3 ASN 13 HB1 ASN 13 5.401 -3.225 7.217
97 HD21 ASN 13 HD21 ASN 13 8.092 -1.374 7.550
98 HD22 ASN 13 HD22 ASN 13 9.284 -2.618 7.677
99 H TYR 14 HN TYR 14 3.749 -3.557 3.857
100 HA TYR 14 HA TYR 14 4.048 -6.372 4.524
101 HB2 TYR 14 HB2 TYR 14 1.876 -5.075 2.872
102 HB3 TYR 14 HB1 TYR 14 1.833 -6.659 3.639
103 HD1 TYR 14 HD1 TYR 14 0.114 -3.913 3.872
104 HD2 TYR 14 HD2 TYR 14 2.881 -6.010 6.331
105 HE1 TYR 14 HE1 TYR 14 -0.909 -2.909 5.869
106 HE2 TYR 14 HE2 TYR 14 1.865 -5.012 8.335
107 HH TYR 14 HH TYR 14 -0.199 -3.996 9.042
108 H ILE 15 HN ILE 15 3.601 -7.965 2.713
109 HA ILE 15 HA ILE 15 5.431 -7.362 0.531
110 HB ILE 15 HB ILE 15 5.020 -9.832 -0.040
111 HG12 ILE 15 HG12 ILE 15 4.315 -10.328 2.777
112 HG13 ILE 15 HG11 ILE 15 3.018 -9.635 1.812
113 HG21 ILE 15 HG21 ILE 15 6.750 -10.510 1.394
114 HG22 ILE 15 HG22 ILE 15 6.274 -9.364 2.647
115 HG23 ILE 15 HG23 ILE 15 7.003 -8.782 1.151
116 HD11 ILE 15 HD11 ILE 15 2.568 -11.743 1.258
117 HD12 ILE 15 HD12 ILE 15 4.152 -12.315 1.782
118 HD13 ILE 15 HD13 ILE 15 3.956 -11.609 0.178
119 H ILE 16 HN ILE 16 2.053 -8.201 1.056
120 HA ILE 16 HA ILE 16 1.511 -8.139 -1.801
121 HB ILE 16 HB ILE 16 -0.589 -9.031 -1.375
122 HG12 ILE 16 HG12 ILE 16 -1.476 -7.438 0.190
123 HG13 ILE 16 HG11 ILE 16 -1.650 -9.039 0.901
124 HG21 ILE 16 HG21 ILE 16 1.285 -10.038 0.749
125 HG22 ILE 16 HG22 ILE 16 1.012 -10.697 -0.864
126 HG23 ILE 16 HG23 ILE 16 -0.251 -10.815 0.361
127 HD11 ILE 16 HD11 ILE 16 0.468 -8.574 2.174
128 HD12 ILE 16 HD12 ILE 16 -0.933 -7.600 2.621
129 HD13 ILE 16 HD13 ILE 16 0.337 -6.907 1.612
130 H TRP 17 HN TRP 17 1.961 -5.817 0.434
131 HA TRP 17 HA TRP 17 0.267 -3.947 -1.034
132 HB2 TRP 17 HB2 TRP 17 0.148 -4.391 1.946
133 HB3 TRP 17 HB1 TRP 17 -0.371 -2.882 1.206
134 HD1 TRP 17 HD1 TRP 17 -1.902 -4.069 -1.314
135 HE1 TRP 17 HE1 TRP 17 -4.138 -5.294 -0.971
136 HE3 TRP 17 HE3 TRP 17 -1.413 -5.295 3.625
137 HZ2 TRP 17 HZ2 TRP 17 -5.513 -6.610 1.113
138 HZ3 TRP 17 HZ3 TRP 17 -3.234 -6.537 4.718
139 HH2 TRP 17 HH2 TRP 17 -5.242 -7.179 3.487
140 H THR 18 HN THR 18 2.277 -3.228 -1.902
141 HA THR 18 HA THR 18 3.844 -1.605 -0.007
142 HB THR 18 HB THR 18 5.035 -2.823 -2.484
143 HG1 THR 18 HG1 THR 18 4.792 -3.971 0.090
144 HG21 THR 18 HG21 THR 18 7.053 -2.770 -0.826
145 HG22 THR 18 HG22 THR 18 6.097 -1.518 -0.034
146 HG23 THR 18 HG23 THR 18 6.579 -1.325 -1.719
147 H VAL 19 HN VAL 19 1.923 -1.599 -2.787
148 HA VAL 19 HA VAL 19 3.175 0.749 -3.963
149 HB VAL 19 HB VAL 19 0.611 -0.598 -4.813
150 HG11 VAL 19 HG11 VAL 19 1.615 0.447 -7.051
151 HG12 VAL 19 HG12 VAL 19 2.303 1.581 -5.888
152 HG13 VAL 19 HG13 VAL 19 0.556 1.354 -5.971
153 HG21 VAL 19 HG21 VAL 19 3.466 -1.188 -5.534
154 HG22 VAL 19 HG22 VAL 19 2.125 -1.611 -6.599
155 HG23 VAL 19 HG23 VAL 19 2.217 -2.302 -4.978
156 H CYS 20 HN CYS 20 2.833 2.540 -2.749
157 HA CYS 20 HA CYS 20 0.215 3.006 -1.579
158 HB2 CYS 20 HB2 CYS 20 2.896 4.305 -1.303
159 HB3 CYS 20 HB1 CYS 20 1.448 5.174 -0.804
160 H ARG 21 HN ARG 21 -1.300 4.237 -2.424
161 HA ARG 21 HA ARG 21 -0.609 5.930 -4.724
162 HB2 ARG 21 HB2 ARG 21 -2.898 5.670 -5.465
163 HB3 ARG 21 HB1 ARG 21 -2.221 4.080 -5.149
164 HG2 ARG 21 HG2 ARG 21 -3.796 3.621 -3.661
165 HG3 ARG 21 HG1 ARG 21 -3.503 5.129 -2.795
166 HD2 ARG 21 HD2 ARG 21 -4.891 5.505 -5.333
167 HD3 ARG 21 HD1 ARG 21 -5.780 4.489 -4.199
168 HE ARG 21 HE ARG 21 -4.781 6.878 -2.986
169 HH11 ARG 21 HH11 ARG 21 -7.370 5.566 -4.923
170 HH12 ARG 21 HH12 ARG 21 -8.512 6.775 -4.441
171 HH21 ARG 21 HH21 ARG 21 -6.282 8.469 -2.350
172 HH22 ARG 21 HH22 ARG 21 -7.895 8.424 -2.980
173 H ASP 22 HN ASP 22 -3.083 7.398 -4.651
174 HA ASP 22 HA ASP 22 -2.405 9.602 -3.174
175 HB2 ASP 22 HB2 ASP 22 -4.942 8.607 -4.353
176 HB3 ASP 22 HB1 ASP 22 -5.068 9.919 -3.186
177 H GLY 23 HN GLY 23 -1.691 9.049 -1.110
178 HA2 GLY 23 HA2 GLY 23 -1.877 8.735 1.153
179 HA3 GLY 23 HA1 GLY 23 -3.536 9.282 0.972
180 H CYS 24 HN CYS 24 -2.659 6.479 -0.830
181 HA CYS 24 HA CYS 24 -3.848 4.763 1.245
182 HB2 CYS 24 HB2 CYS 24 -4.847 5.325 -1.422
183 HB3 CYS 24 HB1 CYS 24 -4.576 3.602 -1.183
184 H CYS 25 HN CYS 25 -3.482 2.398 0.768
185 HA CYS 25 HA CYS 25 -0.914 1.912 -0.568
186 HB2 CYS 25 HB2 CYS 25 -0.186 2.084 1.646
187 HB3 CYS 25 HB1 CYS 25 -1.641 1.341 2.288
188 H ASN 26 HN ASN 26 -0.902 0.154 -1.801
189 HA ASN 26 HA ASN 26 -2.506 -2.156 -1.224
190 HB2 ASN 26 HB2 ASN 26 -3.564 -1.980 -3.614
191 HB3 ASN 26 HB1 ASN 26 -4.314 -1.137 -2.263
192 HD21 ASN 26 HD21 ASN 26 -5.284 0.221 -3.859
193 HD22 ASN 26 HD22 ASN 26 -4.389 1.530 -4.545
194 H ILE 27 HN ILE 27 -2.426 -3.581 -3.443
195 HA ILE 27 HA ILE 27 0.390 -4.028 -3.832
196 HB ILE 27 HB ILE 27 -1.171 -5.910 -3.582
197 HG12 ILE 27 HG12 ILE 27 -0.372 -7.226 -5.579
198 HG13 ILE 27 HG11 ILE 27 0.295 -5.728 -6.219
199 HG21 ILE 27 HG21 ILE 27 -3.113 -5.010 -4.692
200 HG22 ILE 27 HG22 ILE 27 -2.645 -6.523 -5.467
201 HG23 ILE 27 HG23 ILE 27 -2.259 -4.983 -6.235
202 HD11 ILE 27 HD11 ILE 27 1.176 -6.111 -3.523
203 HD12 ILE 27 HD12 ILE 27 2.123 -5.975 -5.004
204 HD13 ILE 27 HD13 ILE 27 1.516 -7.548 -4.487
205 H SER 28 HN SER 28 -2.240 -2.630 -5.656
206 HA SER 28 HA SER 28 -0.426 -2.254 -7.946
207 HB2 SER 28 HB2 SER 28 -2.945 -3.349 -7.958
208 HB3 SER 28 HB1 SER 28 -3.271 -1.672 -8.394
209 HG SER 28 HG SER 28 -2.140 -3.644 -9.866
Start of MODEL 12
1 H1 GLN 1 HT1 GLN 1 -7.385 -4.938 -6.619
2 H2 GLN 1 HT2 GLN 1 -8.740 -4.522 -5.652
3 H3 GLN 1 HT3 GLN 1 -7.455 -5.442 -4.982
4 HA GLN 1 HA GLN 1 -5.969 -3.623 -5.226
5 HB2 GLN 1 HB2 GLN 1 -8.324 -2.542 -6.694
6 HB3 GLN 1 HB1 GLN 1 -7.346 -1.399 -5.783
7 HG2 GLN 1 HG2 GLN 1 -6.415 -3.218 -7.991
8 HG3 GLN 1 HG1 GLN 1 -6.591 -1.465 -8.058
9 HE21 GLN 1 HE21 GLN 1 -5.316 -0.309 -6.283
10 HE22 GLN 1 HE22 GLN 1 -3.694 -0.855 -6.044
11 H LEU 2 HN LEU 2 -5.595 -2.769 -3.276
12 HA LEU 2 HA LEU 2 -7.866 -2.511 -1.434
13 HB2 LEU 2 HB2 LEU 2 -5.214 -3.565 -1.184
14 HB3 LEU 2 HB1 LEU 2 -5.409 -2.241 -0.051
15 HG LEU 2 HG LEU 2 -5.953 -4.332 1.031
16 HD11 LEU 2 HD11 LEU 2 -8.410 -2.682 0.462
17 HD12 LEU 2 HD12 LEU 2 -7.218 -2.389 1.728
18 HD13 LEU 2 HD13 LEU 2 -8.233 -3.829 1.790
19 HD21 LEU 2 HD21 LEU 2 -7.525 -4.757 -1.434
20 HD22 LEU 2 HD22 LEU 2 -8.237 -5.345 0.069
21 HD23 LEU 2 HD23 LEU 2 -6.644 -5.911 -0.433
22 H CYS 3 HN CYS 3 -6.939 -0.865 0.472
23 HA CYS 3 HA CYS 3 -5.805 1.538 -0.617
24 HB2 CYS 3 HB2 CYS 3 -8.438 1.334 -1.126
25 HB3 CYS 3 HB1 CYS 3 -8.516 2.029 0.489
26 H LEU 4 HN LEU 4 -4.593 0.364 1.287
27 HA LEU 4 HA LEU 4 -5.600 0.991 3.916
28 HB2 LEU 4 HB2 LEU 4 -2.759 0.226 3.377
29 HB3 LEU 4 HB1 LEU 4 -3.763 -0.154 4.762
30 HG LEU 4 HG LEU 4 -3.984 -1.387 2.013
31 HD11 LEU 4 HD11 LEU 4 -3.539 -3.162 4.252
32 HD12 LEU 4 HD12 LEU 4 -2.247 -1.972 4.097
33 HD13 LEU 4 HD13 LEU 4 -2.655 -3.014 2.734
34 HD21 LEU 4 HD21 LEU 4 -6.182 -1.204 2.962
35 HD22 LEU 4 HD22 LEU 4 -5.612 -1.821 4.513
36 HD23 LEU 4 HD23 LEU 4 -5.644 -2.878 3.101
37 H LEU 5 HN LEU 5 -5.324 2.836 4.985
38 HA LEU 5 HA LEU 5 -4.269 5.141 3.909
39 HB2 LEU 5 HB2 LEU 5 -4.678 4.314 6.772
40 HB3 LEU 5 HB1 LEU 5 -4.113 5.917 6.340
41 HG LEU 5 HG LEU 5 -6.279 5.878 4.804
42 HD11 LEU 5 HD11 LEU 5 -8.085 4.776 6.296
43 HD12 LEU 5 HD12 LEU 5 -6.751 3.782 6.883
44 HD13 LEU 5 HD13 LEU 5 -7.169 3.775 5.169
45 HD21 LEU 5 HD21 LEU 5 -7.392 7.147 6.469
46 HD22 LEU 5 HD22 LEU 5 -5.665 7.431 6.689
47 HD23 LEU 5 HD23 LEU 5 -6.523 6.332 7.769
48 H CYS 6 HN CYS 6 -2.283 5.784 3.442
49 HA CYS 6 HA CYS 6 -0.065 5.054 5.193
50 HB2 CYS 6 HB2 CYS 6 1.301 4.123 3.517
51 HB3 CYS 6 HB1 CYS 6 -0.268 3.364 3.286
52 H GLN 7 HN GLN 7 1.968 6.263 4.539
53 HA GLN 7 HA GLN 7 1.193 8.977 3.729
54 HB2 GLN 7 HB2 GLN 7 3.582 8.058 5.333
55 HB3 GLN 7 HB1 GLN 7 3.195 9.728 4.944
56 HG2 GLN 7 HG2 GLN 7 1.132 8.123 6.341
57 HG3 GLN 7 HG1 GLN 7 2.550 8.628 7.259
58 HE21 GLN 7 HE21 GLN 7 -0.433 9.564 5.914
59 HE22 GLN 7 HE22 GLN 7 -0.383 11.230 6.367
60 H THR 8 HN THR 8 4.232 7.148 3.691
61 HA THR 8 HA THR 8 5.050 8.445 1.254
62 HB THR 8 HB THR 8 7.138 7.354 1.538
63 HG1 THR 8 HG1 THR 8 5.937 5.650 3.454
64 HG21 THR 8 HG21 THR 8 7.106 8.978 3.188
65 HG22 THR 8 HG22 THR 8 7.570 7.516 4.059
66 HG23 THR 8 HG23 THR 8 5.913 8.112 4.156
67 H SER 9 HN SER 9 6.323 6.657 -0.245
68 HA SER 9 HA SER 9 4.243 5.396 -1.690
69 HB2 SER 9 HB2 SER 9 6.023 4.551 -3.142
70 HB3 SER 9 HB1 SER 9 6.298 6.250 -2.757
71 HG SER 9 HG SER 9 8.224 5.385 -2.353
72 H ARG 10 HN ARG 10 6.005 4.382 1.034
73 HA ARG 10 HA ARG 10 4.719 1.815 0.978
74 HB2 ARG 10 HB2 ARG 10 6.949 0.603 1.325
75 HB3 ARG 10 HB1 ARG 10 6.532 1.082 -0.315
76 HG2 ARG 10 HG2 ARG 10 8.213 2.587 -0.453
77 HG3 ARG 10 HG1 ARG 10 8.121 3.011 1.258
78 HD2 ARG 10 HD2 ARG 10 10.076 1.868 1.320
79 HD3 ARG 10 HD1 ARG 10 8.982 0.497 1.497
80 HE ARG 10 HE ARG 10 9.605 -0.231 -0.584
81 HH11 ARG 10 HH11 ARG 10 10.663 3.068 -0.172
82 HH12 ARG 10 HH12 ARG 10 11.601 3.081 -1.627
83 HH21 ARG 10 HH21 ARG 10 10.839 -0.217 -2.498
84 HH22 ARG 10 HH22 ARG 10 11.701 1.216 -2.948
85 H ASP 11 HN ASP 11 4.058 3.468 2.802
86 HA ASP 11 HA ASP 11 5.798 3.130 5.140
87 HB2 ASP 11 HB2 ASP 11 4.135 5.251 4.222
88 HB3 ASP 11 HB1 ASP 11 3.465 4.672 5.744
89 H CYS 12 HN CYS 12 4.173 0.987 3.947
90 HA CYS 12 HA CYS 12 2.343 0.448 6.188
91 HB2 CYS 12 HB2 CYS 12 2.188 -1.013 3.572
92 HB3 CYS 12 HB1 CYS 12 0.920 -0.713 4.756
93 H ASN 13 HN ASN 13 5.006 -0.743 4.276
94 HA ASN 13 HA ASN 13 6.472 -2.452 4.570
95 HB2 ASN 13 HB2 ASN 13 5.413 -2.005 7.322
96 HB3 ASN 13 HB1 ASN 13 6.384 -3.445 7.030
97 HD21 ASN 13 HD21 ASN 13 8.433 -3.186 7.489
98 HD22 ASN 13 HD22 ASN 13 9.342 -1.725 7.336
99 H TYR 14 HN TYR 14 3.726 -3.003 3.653
100 HA TYR 14 HA TYR 14 3.171 -5.657 4.713
101 HB2 TYR 14 HB2 TYR 14 1.748 -3.862 2.758
102 HB3 TYR 14 HB1 TYR 14 1.278 -5.545 2.981
103 HD1 TYR 14 HD1 TYR 14 1.222 -6.109 5.707
104 HD2 TYR 14 HD2 TYR 14 0.360 -2.388 3.836
105 HE1 TYR 14 HE1 TYR 14 -0.159 -5.465 7.638
106 HE2 TYR 14 HE2 TYR 14 -1.021 -1.732 5.761
107 HH TYR 14 HH TYR 14 -2.292 -2.861 7.585
108 H ILE 15 HN ILE 15 2.702 -7.422 3.103
109 HA ILE 15 HA ILE 15 4.967 -7.628 1.286
110 HB ILE 15 HB ILE 15 2.908 -9.745 1.906
111 HG12 ILE 15 HG12 ILE 15 5.614 -9.434 3.211
112 HG13 ILE 15 HG11 ILE 15 4.129 -8.824 3.935
113 HG21 ILE 15 HG21 ILE 15 4.018 -10.526 0.062
114 HG22 ILE 15 HG22 ILE 15 5.061 -11.143 1.343
115 HG23 ILE 15 HG23 ILE 15 5.512 -9.681 0.466
116 HD11 ILE 15 HD11 ILE 15 4.960 -11.656 3.454
117 HD12 ILE 15 HD12 ILE 15 3.268 -11.225 3.702
118 HD13 ILE 15 HD13 ILE 15 4.459 -10.881 4.957
119 H ILE 16 HN ILE 16 1.454 -8.204 1.138
120 HA ILE 16 HA ILE 16 1.543 -8.083 -1.768
121 HB ILE 16 HB ILE 16 -0.617 -8.960 -1.819
122 HG12 ILE 16 HG12 ILE 16 -1.759 -7.408 -0.345
123 HG13 ILE 16 HG11 ILE 16 -2.126 -9.054 0.157
124 HG21 ILE 16 HG21 ILE 16 0.980 -10.590 -1.023
125 HG22 ILE 16 HG22 ILE 16 -0.593 -10.873 -0.276
126 HG23 ILE 16 HG23 ILE 16 0.693 -10.094 0.646
127 HD11 ILE 16 HD11 ILE 16 -1.759 -7.826 2.123
128 HD12 ILE 16 HD12 ILE 16 -0.299 -7.077 1.477
129 HD13 ILE 16 HD13 ILE 16 -0.305 -8.793 1.882
130 H TRP 17 HN TRP 17 1.868 -5.706 0.159
131 HA TRP 17 HA TRP 17 0.195 -3.905 -1.393
132 HB2 TRP 17 HB2 TRP 17 0.094 -4.100 1.620
133 HB3 TRP 17 HB1 TRP 17 -0.472 -2.690 0.730
134 HD1 TRP 17 HD1 TRP 17 -2.084 -3.982 -1.587
135 HE1 TRP 17 HE1 TRP 17 -4.244 -5.296 -1.124
136 HE3 TRP 17 HE3 TRP 17 -1.290 -5.144 3.328
137 HZ2 TRP 17 HZ2 TRP 17 -5.453 -6.653 1.038
138 HZ3 TRP 17 HZ3 TRP 17 -2.996 -6.455 4.520
139 HH2 TRP 17 HH2 TRP 17 -5.035 -7.193 3.398
140 H THR 18 HN THR 18 2.141 -3.217 -2.314
141 HA THR 18 HA THR 18 3.871 -1.654 -0.511
142 HB THR 18 HB THR 18 5.762 -2.150 -1.924
143 HG1 THR 18 HG1 THR 18 3.917 -3.576 -3.537
144 HG21 THR 18 HG21 THR 18 4.813 -4.888 -1.920
145 HG22 THR 18 HG22 THR 18 4.533 -4.065 -0.386
146 HG23 THR 18 HG23 THR 18 6.162 -4.151 -1.056
147 H VAL 19 HN VAL 19 1.807 -1.572 -3.217
148 HA VAL 19 HA VAL 19 2.983 0.845 -4.330
149 HB VAL 19 HB VAL 19 0.423 -0.528 -5.156
150 HG11 VAL 19 HG11 VAL 19 2.076 1.691 -6.270
151 HG12 VAL 19 HG12 VAL 19 0.324 1.556 -6.124
152 HG13 VAL 19 HG13 VAL 19 1.178 0.644 -7.369
153 HG21 VAL 19 HG21 VAL 19 2.226 -2.113 -5.369
154 HG22 VAL 19 HG22 VAL 19 3.233 -0.914 -6.182
155 HG23 VAL 19 HG23 VAL 19 1.781 -1.529 -6.973
156 H CYS 20 HN CYS 20 2.656 2.547 -2.992
157 HA CYS 20 HA CYS 20 0.075 2.896 -1.715
158 HB2 CYS 20 HB2 CYS 20 2.783 3.967 -1.334
159 HB3 CYS 20 HB1 CYS 20 1.496 5.139 -1.073
160 H ARG 21 HN ARG 21 -1.496 4.132 -2.443
161 HA ARG 21 HA ARG 21 -0.950 5.941 -4.689
162 HB2 ARG 21 HB2 ARG 21 -3.651 4.975 -3.736
163 HB3 ARG 21 HB1 ARG 21 -3.269 5.750 -5.268
164 HG2 ARG 21 HG2 ARG 21 -1.944 3.171 -4.608
165 HG3 ARG 21 HG1 ARG 21 -3.637 3.160 -5.108
166 HD2 ARG 21 HD2 ARG 21 -2.253 2.848 -7.047
167 HD3 ARG 21 HD1 ARG 21 -2.998 4.444 -7.129
168 HE ARG 21 HE ARG 21 -0.386 4.462 -5.938
169 HH11 ARG 21 HH11 ARG 21 -2.146 4.554 -8.951
170 HH12 ARG 21 HH12 ARG 21 -0.873 5.350 -9.814
171 HH21 ARG 21 HH21 ARG 21 1.289 5.510 -7.072
172 HH22 ARG 21 HH22 ARG 21 1.077 5.892 -8.748
173 H ASP 22 HN ASP 22 -3.376 7.468 -4.309
174 HA ASP 22 HA ASP 22 -2.476 9.566 -2.771
175 HB2 ASP 22 HB2 ASP 22 -5.274 8.742 -3.533
176 HB3 ASP 22 HB1 ASP 22 -4.951 10.223 -2.637
177 H GLY 23 HN GLY 23 -1.621 8.793 -0.818
178 HA2 GLY 23 HA2 GLY 23 -1.648 8.305 1.422
179 HA3 GLY 23 HA1 GLY 23 -3.282 8.952 1.424
180 H CYS 24 HN CYS 24 -2.591 6.254 -0.636
181 HA CYS 24 HA CYS 24 -3.854 4.447 1.321
182 HB2 CYS 24 HB2 CYS 24 -4.742 5.188 -1.369
183 HB3 CYS 24 HB1 CYS 24 -4.653 3.448 -1.119
184 H CYS 25 HN CYS 25 -3.495 2.154 0.898
185 HA CYS 25 HA CYS 25 -0.900 1.628 -0.411
186 HB2 CYS 25 HB2 CYS 25 -1.404 1.432 2.271
187 HB3 CYS 25 HB1 CYS 25 -1.750 -0.208 1.737
188 H ASN 26 HN ASN 26 -0.801 -0.066 -1.799
189 HA ASN 26 HA ASN 26 -2.753 -2.169 -1.779
190 HB2 ASN 26 HB2 ASN 26 -3.374 -1.660 -4.244
191 HB3 ASN 26 HB1 ASN 26 -4.183 -0.757 -2.967
192 HD21 ASN 26 HD21 ASN 26 -1.568 -0.628 -5.314
193 HD22 ASN 26 HD22 ASN 26 -1.555 1.092 -5.479
194 H ILE 27 HN ILE 27 -2.438 -3.590 -3.821
195 HA ILE 27 HA ILE 27 0.370 -4.204 -3.941
196 HB ILE 27 HB ILE 27 -1.307 -5.991 -3.789
197 HG12 ILE 27 HG12 ILE 27 -0.403 -7.424 -5.623
198 HG13 ILE 27 HG11 ILE 27 0.334 -5.990 -6.331
199 HG21 ILE 27 HG21 ILE 27 -2.118 -5.070 -6.542
200 HG22 ILE 27 HG22 ILE 27 -3.097 -5.019 -5.076
201 HG23 ILE 27 HG23 ILE 27 -2.649 -6.571 -5.783
202 HD11 ILE 27 HD11 ILE 27 2.120 -6.341 -5.083
203 HD12 ILE 27 HD12 ILE 27 1.330 -7.701 -4.286
204 HD13 ILE 27 HD13 ILE 27 1.144 -6.071 -3.639
205 H SER 28 HN SER 28 -2.035 -2.797 -6.066
206 HA SER 28 HA SER 28 0.101 -2.047 -7.916
207 HB2 SER 28 HB2 SER 28 -2.250 -3.760 -8.561
208 HB3 SER 28 HB1 SER 28 -1.765 -2.558 -9.757
209 HG SER 28 HG SER 28 0.334 -3.480 -9.703
Start of MODEL 13
1 H1 GLN 1 HT1 GLN 1 -10.403 -1.853 -5.598
2 H2 GLN 1 HT2 GLN 1 -9.345 -1.634 -6.931
3 H3 GLN 1 HT3 GLN 1 -9.348 -0.503 -5.640
4 HA GLN 1 HA GLN 1 -8.674 -3.341 -5.307
5 HB2 GLN 1 HB2 GLN 1 -6.296 -2.419 -5.258
6 HB3 GLN 1 HB1 GLN 1 -7.063 -2.534 -6.837
7 HG2 GLN 1 HG2 GLN 1 -7.507 -0.180 -6.859
8 HG3 GLN 1 HG1 GLN 1 -6.942 -0.015 -5.197
9 HE21 GLN 1 HE21 GLN 1 -4.640 -1.321 -5.106
10 HE22 GLN 1 HE22 GLN 1 -3.489 -0.662 -6.213
11 H LEU 2 HN LEU 2 -6.922 -3.290 -3.437
12 HA LEU 2 HA LEU 2 -8.288 -2.195 -1.151
13 HB2 LEU 2 HB2 LEU 2 -6.953 -4.458 -1.447
14 HB3 LEU 2 HB1 LEU 2 -5.595 -3.465 -0.957
15 HG LEU 2 HG LEU 2 -6.214 -4.263 1.083
16 HD11 LEU 2 HD11 LEU 2 -6.441 -1.828 1.196
17 HD12 LEU 2 HD12 LEU 2 -7.532 -2.642 2.318
18 HD13 LEU 2 HD13 LEU 2 -8.155 -1.974 0.810
19 HD21 LEU 2 HD21 LEU 2 -7.912 -5.720 0.857
20 HD22 LEU 2 HD22 LEU 2 -8.821 -4.663 -0.223
21 HD23 LEU 2 HD23 LEU 2 -8.865 -4.392 1.519
22 H CYS 3 HN CYS 3 -7.890 -0.295 -0.219
23 HA CYS 3 HA CYS 3 -5.287 0.985 -0.732
24 HB2 CYS 3 HB2 CYS 3 -7.987 1.978 -1.160
25 HB3 CYS 3 HB1 CYS 3 -7.054 3.047 -0.118
26 H LEU 4 HN LEU 4 -4.286 0.375 1.143
27 HA LEU 4 HA LEU 4 -5.580 0.860 3.704
28 HB2 LEU 4 HB2 LEU 4 -2.793 -0.150 3.130
29 HB3 LEU 4 HB1 LEU 4 -3.611 -0.179 4.680
30 HG LEU 4 HG LEU 4 -4.290 -1.810 2.232
31 HD11 LEU 4 HD11 LEU 4 -3.952 -3.648 3.999
32 HD12 LEU 4 HD12 LEU 4 -3.113 -2.401 4.922
33 HD13 LEU 4 HD13 LEU 4 -2.527 -2.860 3.323
34 HD21 LEU 4 HD21 LEU 4 -6.038 -2.825 3.709
35 HD22 LEU 4 HD22 LEU 4 -6.375 -1.170 3.201
36 HD23 LEU 4 HD23 LEU 4 -5.782 -1.489 4.831
37 H LEU 5 HN LEU 5 -5.526 2.826 4.557
38 HA LEU 5 HA LEU 5 -4.307 5.072 3.754
39 HB2 LEU 5 HB2 LEU 5 -4.953 4.135 6.524
40 HB3 LEU 5 HB1 LEU 5 -4.222 5.709 6.269
41 HG LEU 5 HG LEU 5 -6.663 5.047 4.699
42 HD11 LEU 5 HD11 LEU 5 -7.219 4.279 6.954
43 HD12 LEU 5 HD12 LEU 5 -8.114 5.736 6.524
44 HD13 LEU 5 HD13 LEU 5 -6.726 5.842 7.606
45 HD21 LEU 5 HD21 LEU 5 -5.143 7.217 4.760
46 HD22 LEU 5 HD22 LEU 5 -6.188 7.605 6.127
47 HD23 LEU 5 HD23 LEU 5 -6.890 7.307 4.537
48 H CYS 6 HN CYS 6 -2.302 5.699 3.372
49 HA CYS 6 HA CYS 6 -0.161 4.900 5.202
50 HB2 CYS 6 HB2 CYS 6 1.291 4.121 3.520
51 HB3 CYS 6 HB1 CYS 6 -0.254 3.361 3.164
52 H GLN 7 HN GLN 7 1.920 6.147 4.602
53 HA GLN 7 HA GLN 7 1.129 8.925 4.063
54 HB2 GLN 7 HB2 GLN 7 3.476 7.828 5.612
55 HB3 GLN 7 HB1 GLN 7 3.194 9.536 5.308
56 HG2 GLN 7 HG2 GLN 7 0.834 8.866 6.400
57 HG3 GLN 7 HG1 GLN 7 1.887 7.704 7.205
58 HE21 GLN 7 HE21 GLN 7 2.046 8.511 9.200
59 HE22 GLN 7 HE22 GLN 7 2.616 10.095 9.588
60 H THR 8 HN THR 8 4.145 7.072 3.828
61 HA THR 8 HA THR 8 4.922 8.586 1.482
62 HB THR 8 HB THR 8 7.035 7.327 1.645
63 HG1 THR 8 HG1 THR 8 6.954 5.467 2.578
64 HG21 THR 8 HG21 THR 8 7.591 7.918 4.091
65 HG22 THR 8 HG22 THR 8 5.983 8.642 4.108
66 HG23 THR 8 HG23 THR 8 7.196 9.213 2.961
67 H SER 9 HN SER 9 6.235 6.971 -0.143
68 HA SER 9 HA SER 9 4.238 5.706 -1.659
69 HB2 SER 9 HB2 SER 9 6.745 6.554 -2.198
70 HB3 SER 9 HB1 SER 9 7.033 4.818 -2.081
71 HG SER 9 HG SER 9 6.454 5.552 -4.211
72 H ARG 10 HN ARG 10 6.058 4.580 1.020
73 HA ARG 10 HA ARG 10 4.706 2.041 0.920
74 HB2 ARG 10 HB2 ARG 10 6.919 0.782 1.184
75 HB3 ARG 10 HB1 ARG 10 6.488 1.326 -0.431
76 HG2 ARG 10 HG2 ARG 10 7.925 3.389 0.109
77 HG3 ARG 10 HG1 ARG 10 8.573 2.405 1.423
78 HD2 ARG 10 HD2 ARG 10 9.665 0.996 0.014
79 HD3 ARG 10 HD1 ARG 10 8.451 1.151 -1.255
80 HE ARG 10 HE ARG 10 9.807 3.592 -1.000
81 HH11 ARG 10 HH11 ARG 10 10.388 0.318 -2.060
82 HH12 ARG 10 HH12 ARG 10 11.611 0.770 -3.198
83 HH21 ARG 10 HH21 ARG 10 11.416 4.189 -2.497
84 HH22 ARG 10 HH22 ARG 10 12.196 2.968 -3.446
85 H ASP 11 HN ASP 11 4.036 3.522 2.818
86 HA ASP 11 HA ASP 11 5.856 3.229 5.096
87 HB2 ASP 11 HB2 ASP 11 3.833 5.167 4.327
88 HB3 ASP 11 HB1 ASP 11 3.567 4.577 5.965
89 H CYS 12 HN CYS 12 4.336 1.012 3.871
90 HA CYS 12 HA CYS 12 2.682 0.249 6.185
91 HB2 CYS 12 HB2 CYS 12 2.443 -0.916 3.412
92 HB3 CYS 12 HB1 CYS 12 1.304 -1.052 4.748
93 H ASN 13 HN ASN 13 5.226 -0.697 3.983
94 HA ASN 13 HA ASN 13 6.761 -2.371 4.026
95 HB2 ASN 13 HB2 ASN 13 6.050 -1.985 6.888
96 HB3 ASN 13 HB1 ASN 13 6.962 -3.433 6.473
97 HD21 ASN 13 HD21 ASN 13 6.947 0.077 6.186
98 HD22 ASN 13 HD22 ASN 13 8.664 0.261 6.127
99 H TYR 14 HN TYR 14 3.887 -2.976 3.517
100 HA TYR 14 HA TYR 14 3.608 -5.699 4.506
101 HB2 TYR 14 HB2 TYR 14 1.790 -4.094 2.695
102 HB3 TYR 14 HB1 TYR 14 1.412 -5.656 3.411
103 HD1 TYR 14 HD1 TYR 14 -0.281 -3.201 3.705
104 HD2 TYR 14 HD2 TYR 14 2.896 -4.703 6.106
105 HE1 TYR 14 HE1 TYR 14 -1.233 -2.066 5.667
106 HE2 TYR 14 HE2 TYR 14 1.951 -3.572 8.073
107 HH TYR 14 HH TYR 14 0.440 -1.555 8.489
108 H ILE 15 HN ILE 15 3.180 -7.480 3.033
109 HA ILE 15 HA ILE 15 4.966 -7.375 0.736
110 HB ILE 15 HB ILE 15 4.509 -9.851 0.620
111 HG12 ILE 15 HG12 ILE 15 3.252 -9.443 3.336
112 HG13 ILE 15 HG11 ILE 15 2.307 -9.653 1.865
113 HG21 ILE 15 HG21 ILE 15 6.527 -9.278 1.616
114 HG22 ILE 15 HG22 ILE 15 5.751 -10.288 2.836
115 HG23 ILE 15 HG23 ILE 15 5.742 -8.533 3.008
116 HD11 ILE 15 HD11 ILE 15 4.272 -11.731 2.092
117 HD12 ILE 15 HD12 ILE 15 2.515 -11.850 1.987
118 HD13 ILE 15 HD13 ILE 15 3.293 -11.637 3.556
119 H ILE 16 HN ILE 16 1.567 -7.843 1.483
120 HA ILE 16 HA ILE 16 0.896 -8.323 -1.304
121 HB ILE 16 HB ILE 16 -0.290 -9.587 0.425
122 HG12 ILE 16 HG12 ILE 16 -2.524 -9.306 -0.422
123 HG13 ILE 16 HG11 ILE 16 -2.195 -7.644 -0.895
124 HG21 ILE 16 HG21 ILE 16 -0.615 -8.460 2.338
125 HG22 ILE 16 HG22 ILE 16 -2.127 -7.966 1.578
126 HG23 ILE 16 HG23 ILE 16 -0.724 -6.900 1.523
127 HD11 ILE 16 HD11 ILE 16 -0.819 -10.033 -2.091
128 HD12 ILE 16 HD12 ILE 16 -0.744 -8.361 -2.646
129 HD13 ILE 16 HD13 ILE 16 -2.252 -9.265 -2.774
130 H TRP 17 HN TRP 17 1.496 -5.638 0.561
131 HA TRP 17 HA TRP 17 0.167 -3.913 -1.360
132 HB2 TRP 17 HB2 TRP 17 -0.349 -3.725 1.617
133 HB3 TRP 17 HB1 TRP 17 -0.818 -2.500 0.442
134 HD1 TRP 17 HD1 TRP 17 -2.281 -3.930 -1.754
135 HE1 TRP 17 HE1 TRP 17 -4.401 -5.326 -1.357
136 HE3 TRP 17 HE3 TRP 17 -1.688 -4.913 3.227
137 HZ2 TRP 17 HZ2 TRP 17 -5.657 -6.676 0.780
138 HZ3 TRP 17 HZ3 TRP 17 -3.393 -6.267 4.373
139 HH2 TRP 17 HH2 TRP 17 -5.337 -7.129 3.173
140 H THR 18 HN THR 18 2.254 -3.368 -2.028
141 HA THR 18 HA THR 18 3.874 -1.888 -0.063
142 HB THR 18 HB THR 18 5.077 -2.769 -2.632
143 HG1 THR 18 HG1 THR 18 4.465 -4.541 -0.505
144 HG21 THR 18 HG21 THR 18 7.012 -3.220 -1.264
145 HG22 THR 18 HG22 THR 18 6.088 -2.877 0.199
146 HG23 THR 18 HG23 THR 18 6.419 -1.588 -0.958
147 H VAL 19 HN VAL 19 2.116 -1.630 -3.015
148 HA VAL 19 HA VAL 19 3.435 0.848 -3.791
149 HB VAL 19 HB VAL 19 1.014 -0.433 -5.064
150 HG11 VAL 19 HG11 VAL 19 2.924 1.177 -6.628
151 HG12 VAL 19 HG12 VAL 19 1.962 2.060 -5.443
152 HG13 VAL 19 HG13 VAL 19 1.163 1.115 -6.699
153 HG21 VAL 19 HG21 VAL 19 2.634 -2.101 -5.260
154 HG22 VAL 19 HG22 VAL 19 3.943 -0.937 -5.472
155 HG23 VAL 19 HG23 VAL 19 2.778 -1.201 -6.770
156 H CYS 20 HN CYS 20 2.830 2.721 -2.893
157 HA CYS 20 HA CYS 20 0.238 2.885 -1.595
158 HB2 CYS 20 HB2 CYS 20 2.775 4.396 -1.440
159 HB3 CYS 20 HB1 CYS 20 1.303 5.319 -1.154
160 H ARG 21 HN ARG 21 -1.477 3.869 -2.379
161 HA ARG 21 HA ARG 21 -1.180 5.489 -4.810
162 HB2 ARG 21 HB2 ARG 21 -2.728 3.298 -4.500
163 HB3 ARG 21 HB1 ARG 21 -3.861 4.532 -3.967
164 HG2 ARG 21 HG2 ARG 21 -4.377 4.593 -6.154
165 HG3 ARG 21 HG1 ARG 21 -2.986 5.677 -6.227
166 HD2 ARG 21 HD2 ARG 21 -1.751 3.293 -6.473
167 HD3 ARG 21 HD1 ARG 21 -3.302 2.920 -7.225
168 HE ARG 21 HE ARG 21 -1.234 4.617 -8.268
169 HH11 ARG 21 HH11 ARG 21 -4.652 3.919 -8.324
170 HH12 ARG 21 HH12 ARG 21 -4.894 4.607 -9.895
171 HH21 ARG 21 HH21 ARG 21 -1.550 5.523 -10.334
172 HH22 ARG 21 HH22 ARG 21 -3.133 5.517 -11.036
173 H ASP 22 HN ASP 22 -3.894 6.568 -4.501
174 HA ASP 22 HA ASP 22 -3.405 8.976 -3.321
175 HB2 ASP 22 HB2 ASP 22 -5.531 7.934 -4.601
176 HB3 ASP 22 HB1 ASP 22 -6.165 7.954 -2.959
177 H GLY 23 HN GLY 23 -2.233 8.716 -1.402
178 HA2 GLY 23 HA2 GLY 23 -1.927 8.536 0.861
179 HA3 GLY 23 HA1 GLY 23 -3.627 8.960 0.977
180 H CYS 24 HN CYS 24 -2.757 6.040 -0.701
181 HA CYS 24 HA CYS 24 -3.357 4.463 1.701
182 HB2 CYS 24 HB2 CYS 24 -4.771 2.962 0.152
183 HB3 CYS 24 HB1 CYS 24 -5.484 4.453 0.754
184 H CYS 25 HN CYS 25 -3.165 2.030 1.121
185 HA CYS 25 HA CYS 25 -0.654 1.645 -0.377
186 HB2 CYS 25 HB2 CYS 25 -1.384 0.967 2.298
187 HB3 CYS 25 HB1 CYS 25 -1.168 -0.530 1.402
188 H ASN 26 HN ASN 26 -0.435 -0.228 -1.648
189 HA ASN 26 HA ASN 26 -2.598 -2.090 -1.917
190 HB2 ASN 26 HB2 ASN 26 -2.761 -1.535 -4.460
191 HB3 ASN 26 HB1 ASN 26 -3.698 -0.594 -3.305
192 HD21 ASN 26 HD21 ASN 26 -1.535 -0.476 -5.844
193 HD22 ASN 26 HD22 ASN 26 -1.066 1.181 -5.714
194 H ILE 27 HN ILE 27 -2.155 -3.566 -3.896
195 HA ILE 27 HA ILE 27 0.559 -4.480 -3.620
196 HB ILE 27 HB ILE 27 -1.300 -6.078 -3.708
197 HG12 ILE 27 HG12 ILE 27 -0.311 -7.631 -5.374
198 HG13 ILE 27 HG11 ILE 27 0.632 -6.295 -6.028
199 HG21 ILE 27 HG21 ILE 27 -2.365 -6.537 -5.924
200 HG22 ILE 27 HG22 ILE 27 -1.649 -5.036 -6.510
201 HG23 ILE 27 HG23 ILE 27 -2.820 -4.999 -5.192
202 HD11 ILE 27 HD11 ILE 27 0.833 -7.105 -3.151
203 HD12 ILE 27 HD12 ILE 27 1.963 -6.154 -4.115
204 HD13 ILE 27 HD13 ILE 27 1.787 -7.883 -4.414
205 H SER 28 HN SER 28 -1.352 -2.827 -6.040
206 HA SER 28 HA SER 28 0.897 -1.827 -7.400
207 HB2 SER 28 HB2 SER 28 0.954 -4.248 -8.151
208 HB3 SER 28 HB1 SER 28 -0.569 -3.941 -8.985
209 HG SER 28 HG SER 28 0.567 -3.126 -10.536
Start of MODEL 14
1 H1 GLN 1 HT1 GLN 1 -8.478 -4.072 -6.332
2 H2 GLN 1 HT2 GLN 1 -8.258 -2.987 -7.643
3 H3 GLN 1 HT3 GLN 1 -9.428 -2.649 -6.434
4 HA GLN 1 HA GLN 1 -6.566 -2.915 -5.850
5 HB2 GLN 1 HB2 GLN 1 -6.808 -1.172 -7.516
6 HB3 GLN 1 HB1 GLN 1 -8.163 -0.471 -6.642
7 HG2 GLN 1 HG2 GLN 1 -6.833 0.677 -5.272
8 HG3 GLN 1 HG1 GLN 1 -5.743 -0.688 -5.035
9 HE21 GLN 1 HE21 GLN 1 -3.855 -0.737 -6.100
10 HE22 GLN 1 HE22 GLN 1 -3.340 0.452 -7.243
11 H LEU 2 HN LEU 2 -6.044 -2.202 -3.772
12 HA LEU 2 HA LEU 2 -8.328 -2.094 -1.934
13 HB2 LEU 2 HB2 LEU 2 -5.478 -2.413 -1.067
14 HB3 LEU 2 HB1 LEU 2 -6.942 -2.943 -0.261
15 HG LEU 2 HG LEU 2 -7.043 -4.426 -2.543
16 HD11 LEU 2 HD11 LEU 2 -4.168 -3.882 -1.905
17 HD12 LEU 2 HD12 LEU 2 -4.979 -3.887 -3.471
18 HD13 LEU 2 HD13 LEU 2 -4.675 -5.408 -2.630
19 HD21 LEU 2 HD21 LEU 2 -7.436 -5.358 -0.394
20 HD22 LEU 2 HD22 LEU 2 -5.778 -5.042 0.117
21 HD23 LEU 2 HD23 LEU 2 -6.104 -6.265 -1.111
22 H CYS 3 HN CYS 3 -7.155 -0.925 0.266
23 HA CYS 3 HA CYS 3 -5.945 1.582 -0.449
24 HB2 CYS 3 HB2 CYS 3 -8.623 1.597 -0.752
25 HB3 CYS 3 HB1 CYS 3 -8.518 2.008 0.957
26 H LEU 4 HN LEU 4 -4.455 0.495 1.047
27 HA LEU 4 HA LEU 4 -5.272 0.478 3.848
28 HB2 LEU 4 HB2 LEU 4 -2.686 -0.347 2.524
29 HB3 LEU 4 HB1 LEU 4 -3.017 -0.488 4.240
30 HG LEU 4 HG LEU 4 -4.599 -1.902 2.092
31 HD11 LEU 4 HD11 LEU 4 -2.433 -2.830 1.999
32 HD12 LEU 4 HD12 LEU 4 -3.390 -3.928 2.994
33 HD13 LEU 4 HD13 LEU 4 -2.264 -2.804 3.754
34 HD21 LEU 4 HD21 LEU 4 -5.899 -2.745 3.717
35 HD22 LEU 4 HD22 LEU 4 -5.352 -1.347 4.642
36 HD23 LEU 4 HD23 LEU 4 -4.556 -2.907 4.848
37 H LEU 5 HN LEU 5 -5.334 2.481 4.664
38 HA LEU 5 HA LEU 5 -4.228 4.800 4.032
39 HB2 LEU 5 HB2 LEU 5 -4.003 5.284 6.531
40 HB3 LEU 5 HB1 LEU 5 -5.579 4.819 5.920
41 HG LEU 5 HG LEU 5 -4.722 2.399 6.643
42 HD11 LEU 5 HD11 LEU 5 -2.928 4.305 7.985
43 HD12 LEU 5 HD12 LEU 5 -2.705 2.594 7.619
44 HD13 LEU 5 HD13 LEU 5 -3.653 3.079 9.025
45 HD21 LEU 5 HD21 LEU 5 -5.918 2.723 8.758
46 HD22 LEU 5 HD22 LEU 5 -6.772 3.464 7.404
47 HD23 LEU 5 HD23 LEU 5 -5.852 4.470 8.523
48 H CYS 6 HN CYS 6 -2.298 5.557 3.554
49 HA CYS 6 HA CYS 6 0.015 4.820 5.158
50 HB2 CYS 6 HB2 CYS 6 1.297 3.878 3.497
51 HB3 CYS 6 HB1 CYS 6 -0.294 3.299 3.024
52 H GLN 7 HN GLN 7 1.994 6.130 4.328
53 HA GLN 7 HA GLN 7 1.047 8.844 3.692
54 HB2 GLN 7 HB2 GLN 7 3.460 8.008 5.307
55 HB3 GLN 7 HB1 GLN 7 3.013 9.667 4.934
56 HG2 GLN 7 HG2 GLN 7 0.793 9.113 6.098
57 HG3 GLN 7 HG1 GLN 7 1.651 7.716 6.747
58 HE21 GLN 7 HE21 GLN 7 1.678 11.227 6.548
59 HE22 GLN 7 HE22 GLN 7 2.547 11.489 8.018
60 H THR 8 HN THR 8 4.167 7.161 3.634
61 HA THR 8 HA THR 8 4.958 8.558 1.245
62 HB THR 8 HB THR 8 7.081 7.513 1.516
63 HG1 THR 8 HG1 THR 8 7.278 5.578 2.278
64 HG21 THR 8 HG21 THR 8 5.958 7.946 4.273
65 HG22 THR 8 HG22 THR 8 6.663 9.181 3.230
66 HG23 THR 8 HG23 THR 8 7.668 7.871 3.850
67 H SER 9 HN SER 9 6.380 6.734 -0.193
68 HA SER 9 HA SER 9 4.357 5.505 -1.762
69 HB2 SER 9 HB2 SER 9 7.373 5.319 -1.849
70 HB3 SER 9 HB1 SER 9 6.316 4.554 -3.036
71 HG SER 9 HG SER 9 6.744 7.293 -2.542
72 H ARG 10 HN ARG 10 6.082 4.451 0.994
73 HA ARG 10 HA ARG 10 4.764 1.902 0.897
74 HB2 ARG 10 HB2 ARG 10 6.931 0.620 1.187
75 HB3 ARG 10 HB1 ARG 10 6.598 1.221 -0.431
76 HG2 ARG 10 HG2 ARG 10 8.736 1.903 -0.313
77 HG3 ARG 10 HG1 ARG 10 8.027 3.280 0.532
78 HD2 ARG 10 HD2 ARG 10 8.727 2.546 2.598
79 HD3 ARG 10 HD1 ARG 10 8.792 0.858 2.093
80 HE ARG 10 HE ARG 10 10.730 2.235 0.649
81 HH11 ARG 10 HH11 ARG 10 10.056 1.407 3.972
82 HH12 ARG 10 HH12 ARG 10 11.725 1.378 4.434
83 HH21 ARG 10 HH21 ARG 10 12.925 2.197 1.255
84 HH22 ARG 10 HH22 ARG 10 13.354 1.827 2.892
85 H ASP 11 HN ASP 11 4.279 3.752 2.727
86 HA ASP 11 HA ASP 11 5.986 3.425 5.042
87 HB2 ASP 11 HB2 ASP 11 4.855 5.582 4.564
88 HB3 ASP 11 HB1 ASP 11 3.299 4.796 4.813
89 H CYS 12 HN CYS 12 3.531 1.667 3.620
90 HA CYS 12 HA CYS 12 2.262 0.688 6.005
91 HB2 CYS 12 HB2 CYS 12 1.294 -1.005 4.339
92 HB3 CYS 12 HB1 CYS 12 0.864 0.683 4.110
93 H ASN 13 HN ASN 13 4.833 -0.325 3.851
94 HA ASN 13 HA ASN 13 6.327 -2.041 3.909
95 HB2 ASN 13 HB2 ASN 13 5.864 -1.924 6.894
96 HB3 ASN 13 HB1 ASN 13 7.296 -2.533 6.068
97 HD21 ASN 13 HD21 ASN 13 6.472 -0.164 7.932
98 HD22 ASN 13 HD22 ASN 13 7.345 1.161 7.249
99 H TYR 14 HN TYR 14 3.697 -2.884 3.399
100 HA TYR 14 HA TYR 14 3.282 -5.291 4.985
101 HB2 TYR 14 HB2 TYR 14 1.705 -3.908 2.830
102 HB3 TYR 14 HB1 TYR 14 1.311 -5.550 3.327
103 HD1 TYR 14 HD1 TYR 14 1.713 -5.453 6.224
104 HD2 TYR 14 HD2 TYR 14 -0.014 -2.567 3.621
105 HE1 TYR 14 HE1 TYR 14 0.392 -4.563 8.097
106 HE2 TYR 14 HE2 TYR 14 -1.337 -1.666 5.484
107 HH TYR 14 HH TYR 14 -2.007 -3.169 8.159
108 H ILE 15 HN ILE 15 2.417 -7.180 3.367
109 HA ILE 15 HA ILE 15 4.800 -7.911 1.865
110 HB ILE 15 HB ILE 15 2.348 -9.598 2.355
111 HG12 ILE 15 HG12 ILE 15 4.902 -9.593 3.971
112 HG13 ILE 15 HG11 ILE 15 3.444 -8.738 4.464
113 HG21 ILE 15 HG21 ILE 15 4.415 -11.311 2.198
114 HG22 ILE 15 HG22 ILE 15 4.991 -10.034 1.127
115 HG23 ILE 15 HG23 ILE 15 3.445 -10.821 0.809
116 HD11 ILE 15 HD11 ILE 15 3.783 -11.703 4.110
117 HD12 ILE 15 HD12 ILE 15 2.238 -10.910 4.417
118 HD13 ILE 15 HD13 ILE 15 3.529 -10.820 5.615
119 H ILE 16 HN ILE 16 1.312 -8.310 1.236
120 HA ILE 16 HA ILE 16 1.832 -8.145 -1.620
121 HB ILE 16 HB ILE 16 -0.330 -8.990 -2.002
122 HG12 ILE 16 HG12 ILE 16 -1.545 -7.485 -0.426
123 HG13 ILE 16 HG11 ILE 16 -2.095 -9.153 -0.352
124 HG21 ILE 16 HG21 ILE 16 -0.459 -10.956 -0.401
125 HG22 ILE 16 HG22 ILE 16 0.934 -10.245 0.413
126 HG23 ILE 16 HG23 ILE 16 1.056 -10.736 -1.276
127 HD11 ILE 16 HD11 ILE 16 -1.989 -8.603 1.863
128 HD12 ILE 16 HD12 ILE 16 -0.578 -7.566 1.652
129 HD13 ILE 16 HD13 ILE 16 -0.397 -9.320 1.617
130 H TRP 17 HN TRP 17 1.981 -5.755 0.188
131 HA TRP 17 HA TRP 17 0.378 -4.010 -1.494
132 HB2 TRP 17 HB2 TRP 17 0.234 -3.892 1.528
133 HB3 TRP 17 HB1 TRP 17 -0.515 -2.752 0.417
134 HD1 TRP 17 HD1 TRP 17 -2.141 -4.329 -1.520
135 HE1 TRP 17 HE1 TRP 17 -4.020 -5.937 -0.820
136 HE3 TRP 17 HE3 TRP 17 -0.710 -5.199 3.309
137 HZ2 TRP 17 HZ2 TRP 17 -4.803 -7.380 1.478
138 HZ3 TRP 17 HZ3 TRP 17 -2.081 -6.702 4.693
139 HH2 TRP 17 HH2 TRP 17 -4.085 -7.768 3.795
140 H THR 18 HN THR 18 2.341 -3.333 -2.368
141 HA THR 18 HA THR 18 4.075 -1.804 -0.540
142 HB THR 18 HB THR 18 5.904 -2.194 -2.141
143 HG1 THR 18 HG1 THR 18 5.401 -2.820 -4.060
144 HG21 THR 18 HG21 THR 18 5.708 -4.868 -2.015
145 HG22 THR 18 HG22 THR 18 4.543 -4.409 -0.773
146 HG23 THR 18 HG23 THR 18 6.214 -3.853 -0.665
147 H VAL 19 HN VAL 19 1.991 -1.605 -3.246
148 HA VAL 19 HA VAL 19 3.160 0.871 -4.232
149 HB VAL 19 HB VAL 19 0.602 -0.451 -5.138
150 HG11 VAL 19 HG11 VAL 19 0.741 0.903 -7.055
151 HG12 VAL 19 HG12 VAL 19 2.405 1.373 -6.704
152 HG13 VAL 19 HG13 VAL 19 1.086 1.982 -5.704
153 HG21 VAL 19 HG21 VAL 19 2.499 -2.001 -5.338
154 HG22 VAL 19 HG22 VAL 19 3.380 -0.789 -6.267
155 HG23 VAL 19 HG23 VAL 19 1.896 -1.489 -6.914
156 H CYS 20 HN CYS 20 2.759 2.650 -3.062
157 HA CYS 20 HA CYS 20 0.261 2.889 -1.602
158 HB2 CYS 20 HB2 CYS 20 2.904 4.174 -1.488
159 HB3 CYS 20 HB1 CYS 20 1.548 5.248 -1.161
160 H ARG 21 HN ARG 21 -1.442 3.975 -2.261
161 HA ARG 21 HA ARG 21 -1.189 5.715 -4.611
162 HB2 ARG 21 HB2 ARG 21 -2.873 3.619 -4.259
163 HB3 ARG 21 HB1 ARG 21 -3.874 4.925 -3.639
164 HG2 ARG 21 HG2 ARG 21 -4.488 4.937 -5.835
165 HG3 ARG 21 HG1 ARG 21 -3.165 6.105 -5.872
166 HD2 ARG 21 HD2 ARG 21 -1.667 4.532 -6.784
167 HD3 ARG 21 HD1 ARG 21 -2.734 3.180 -6.408
168 HE ARG 21 HE ARG 21 -4.207 4.668 -8.117
169 HH11 ARG 21 HH11 ARG 21 -0.969 3.377 -8.265
170 HH12 ARG 21 HH12 ARG 21 -0.980 3.209 -9.988
171 HH21 ARG 21 HH21 ARG 21 -4.224 4.448 -10.384
172 HH22 ARG 21 HH22 ARG 21 -2.827 3.818 -11.192
173 H ASP 22 HN ASP 22 -3.693 7.046 -4.179
174 HA ASP 22 HA ASP 22 -2.920 9.278 -2.770
175 HB2 ASP 22 HB2 ASP 22 -5.626 8.181 -3.472
176 HB3 ASP 22 HB1 ASP 22 -5.482 9.660 -2.528
177 H GLY 23 HN GLY 23 -1.951 8.734 -0.810
178 HA2 GLY 23 HA2 GLY 23 -1.860 8.373 1.452
179 HA3 GLY 23 HA1 GLY 23 -3.551 8.847 1.475
180 H CYS 24 HN CYS 24 -2.625 6.105 -0.435
181 HA CYS 24 HA CYS 24 -3.537 4.289 1.690
182 HB2 CYS 24 HB2 CYS 24 -4.727 4.716 -0.994
183 HB3 CYS 24 HB1 CYS 24 -4.601 3.050 -0.442
184 H CYS 25 HN CYS 25 -3.104 1.966 1.126
185 HA CYS 25 HA CYS 25 -0.692 1.654 -0.527
186 HB2 CYS 25 HB2 CYS 25 0.175 1.746 1.688
187 HB3 CYS 25 HB1 CYS 25 -1.115 0.729 2.314
188 H ASN 26 HN ASN 26 -0.772 -0.019 -1.886
189 HA ASN 26 HA ASN 26 -2.455 -2.318 -1.298
190 HB2 ASN 26 HB2 ASN 26 -3.449 -2.145 -3.651
191 HB3 ASN 26 HB1 ASN 26 -4.072 -1.028 -2.442
192 HD21 ASN 26 HD21 ASN 26 -4.459 0.861 -3.319
193 HD22 ASN 26 HD22 ASN 26 -3.463 1.678 -4.470
194 H ILE 27 HN ILE 27 -2.356 -3.707 -3.579
195 HA ILE 27 HA ILE 27 0.418 -4.435 -3.736
196 HB ILE 27 HB ILE 27 -1.364 -6.138 -3.691
197 HG12 ILE 27 HG12 ILE 27 -0.179 -6.602 -6.355
198 HG13 ILE 27 HG11 ILE 27 0.970 -6.195 -5.084
199 HG21 ILE 27 HG21 ILE 27 -2.007 -5.246 -6.495
200 HG22 ILE 27 HG22 ILE 27 -2.981 -4.860 -5.076
201 HG23 ILE 27 HG23 ILE 27 -2.784 -6.539 -5.580
202 HD11 ILE 27 HD11 ILE 27 -0.627 -8.624 -5.487
203 HD12 ILE 27 HD12 ILE 27 -0.502 -8.060 -3.821
204 HD13 ILE 27 HD13 ILE 27 0.958 -8.410 -4.745
205 H SER 28 HN SER 28 -1.998 -3.147 -5.974
206 HA SER 28 HA SER 28 0.005 -1.784 -7.497
207 HB2 SER 28 HB2 SER 28 -1.502 -3.606 -9.274
208 HB3 SER 28 HB1 SER 28 0.173 -3.065 -9.369
209 HG SER 28 HG SER 28 0.790 -4.737 -8.222
Start of MODEL 15
1 H1 GLN 1 HT1 GLN 1 -9.097 -4.019 -5.766
2 H2 GLN 1 HT2 GLN 1 -8.316 -5.228 -4.830
3 H3 GLN 1 HT3 GLN 1 -7.797 -4.913 -6.436
4 HA GLN 1 HA GLN 1 -6.254 -3.930 -5.036
5 HB2 GLN 1 HB2 GLN 1 -6.902 -2.633 -6.990
6 HB3 GLN 1 HB1 GLN 1 -8.242 -1.917 -6.106
7 HG2 GLN 1 HG2 GLN 1 -6.941 -0.389 -5.122
8 HG3 GLN 1 HG1 GLN 1 -5.632 -1.536 -4.842
9 HE21 GLN 1 HE21 GLN 1 -3.840 -0.885 -5.768
10 HE22 GLN 1 HE22 GLN 1 -3.702 -0.126 -7.314
11 H LEU 2 HN LEU 2 -5.692 -2.696 -3.219
12 HA LEU 2 HA LEU 2 -7.840 -2.464 -1.227
13 HB2 LEU 2 HB2 LEU 2 -5.161 -3.478 -1.133
14 HB3 LEU 2 HB1 LEU 2 -5.300 -2.136 -0.015
15 HG LEU 2 HG LEU 2 -5.737 -4.204 1.146
16 HD11 LEU 2 HD11 LEU 2 -8.179 -3.759 1.814
17 HD12 LEU 2 HD12 LEU 2 -8.079 -2.391 0.706
18 HD13 LEU 2 HD13 LEU 2 -6.988 -2.488 2.087
19 HD21 LEU 2 HD21 LEU 2 -6.661 -5.208 -1.133
20 HD22 LEU 2 HD22 LEU 2 -8.203 -4.771 -0.397
21 HD23 LEU 2 HD23 LEU 2 -7.107 -5.872 0.438
22 H CYS 3 HN CYS 3 -6.944 -0.756 0.571
23 HA CYS 3 HA CYS 3 -5.819 1.623 -0.575
24 HB2 CYS 3 HB2 CYS 3 -8.417 1.434 -1.136
25 HB3 CYS 3 HB1 CYS 3 -8.562 2.079 0.496
26 H LEU 4 HN LEU 4 -4.605 0.513 1.351
27 HA LEU 4 HA LEU 4 -5.610 1.180 3.967
28 HB2 LEU 4 HB2 LEU 4 -2.777 0.405 3.336
29 HB3 LEU 4 HB1 LEU 4 -3.670 0.151 4.823
30 HG LEU 4 HG LEU 4 -4.374 -1.244 2.244
31 HD11 LEU 4 HD11 LEU 4 -2.239 -1.795 4.193
32 HD12 LEU 4 HD12 LEU 4 -2.394 -2.280 2.505
33 HD13 LEU 4 HD13 LEU 4 -3.254 -3.171 3.760
34 HD21 LEU 4 HD21 LEU 4 -5.254 -1.414 5.088
35 HD22 LEU 4 HD22 LEU 4 -5.272 -2.868 4.091
36 HD23 LEU 4 HD23 LEU 4 -6.211 -1.456 3.608
37 H LEU 5 HN LEU 5 -5.537 3.160 4.784
38 HA LEU 5 HA LEU 5 -4.416 5.395 3.689
39 HB2 LEU 5 HB2 LEU 5 -5.958 5.039 5.785
40 HB3 LEU 5 HB1 LEU 5 -4.445 5.144 6.665
41 HG LEU 5 HG LEU 5 -5.149 7.292 4.707
42 HD11 LEU 5 HD11 LEU 5 -6.142 7.172 7.551
43 HD12 LEU 5 HD12 LEU 5 -7.144 6.982 6.112
44 HD13 LEU 5 HD13 LEU 5 -6.334 8.517 6.426
45 HD21 LEU 5 HD21 LEU 5 -3.035 7.675 5.500
46 HD22 LEU 5 HD22 LEU 5 -3.370 6.942 7.069
47 HD23 LEU 5 HD23 LEU 5 -3.985 8.553 6.698
48 H CYS 6 HN CYS 6 -2.389 5.865 3.169
49 HA CYS 6 HA CYS 6 -0.267 5.227 5.096
50 HB2 CYS 6 HB2 CYS 6 1.145 4.264 3.516
51 HB3 CYS 6 HB1 CYS 6 -0.426 3.621 3.062
52 H GLN 7 HN GLN 7 1.889 6.327 4.065
53 HA GLN 7 HA GLN 7 1.147 9.084 3.353
54 HB2 GLN 7 HB2 GLN 7 3.465 8.395 5.145
55 HB3 GLN 7 HB1 GLN 7 2.755 9.977 4.853
56 HG2 GLN 7 HG2 GLN 7 0.772 8.183 5.889
57 HG3 GLN 7 HG1 GLN 7 2.190 8.196 6.935
58 HE21 GLN 7 HE21 GLN 7 2.045 9.606 8.511
59 HE22 GLN 7 HE22 GLN 7 1.252 11.139 8.447
60 H THR 8 HN THR 8 4.085 7.122 3.703
61 HA THR 8 HA THR 8 5.300 8.386 1.420
62 HB THR 8 HB THR 8 6.632 7.719 3.387
63 HG1 THR 8 HG1 THR 8 8.280 7.328 2.141
64 HG21 THR 8 HG21 THR 8 7.080 4.994 2.897
65 HG22 THR 8 HG22 THR 8 5.335 5.204 3.034
66 HG23 THR 8 HG23 THR 8 6.393 5.743 4.338
67 H SER 9 HN SER 9 6.681 6.289 0.236
68 HA SER 9 HA SER 9 4.716 5.310 -1.582
69 HB2 SER 9 HB2 SER 9 6.607 4.197 -2.695
70 HB3 SER 9 HB1 SER 9 6.989 5.878 -2.321
71 HG SER 9 HG SER 9 8.463 5.246 -0.936
72 H ARG 10 HN ARG 10 6.263 4.033 1.253
73 HA ARG 10 HA ARG 10 4.577 1.667 1.081
74 HB2 ARG 10 HB2 ARG 10 6.482 0.171 1.658
75 HB3 ARG 10 HB1 ARG 10 6.599 0.869 0.049
76 HG2 ARG 10 HG2 ARG 10 8.040 2.682 1.271
77 HG3 ARG 10 HG1 ARG 10 8.239 1.405 2.474
78 HD2 ARG 10 HD2 ARG 10 8.940 -0.105 0.580
79 HD3 ARG 10 HD1 ARG 10 8.981 1.330 -0.443
80 HE ARG 10 HE ARG 10 10.959 1.921 0.536
81 HH11 ARG 10 HH11 ARG 10 9.384 -0.452 2.552
82 HH12 ARG 10 HH12 ARG 10 10.735 -0.624 3.622
83 HH21 ARG 10 HH21 ARG 10 12.737 1.697 1.941
84 HH22 ARG 10 HH22 ARG 10 12.638 0.597 3.275
85 H ASP 11 HN ASP 11 3.561 2.976 2.788
86 HA ASP 11 HA ASP 11 4.996 3.207 5.296
87 HB2 ASP 11 HB2 ASP 11 3.081 4.748 4.208
88 HB3 ASP 11 HB1 ASP 11 2.071 3.696 5.194
89 H CYS 12 HN CYS 12 2.993 0.916 3.741
90 HA CYS 12 HA CYS 12 1.954 -0.288 6.137
91 HB2 CYS 12 HB2 CYS 12 1.965 -1.130 3.239
92 HB3 CYS 12 HB1 CYS 12 1.282 -2.132 4.514
93 H ASN 13 HN ASN 13 4.508 -0.995 3.806
94 HA ASN 13 HA ASN 13 6.435 -2.195 3.994
95 HB2 ASN 13 HB2 ASN 13 6.174 -1.246 6.475
96 HB3 ASN 13 HB1 ASN 13 5.944 -2.955 6.830
97 HD21 ASN 13 HD21 ASN 13 8.172 -0.576 6.657
98 HD22 ASN 13 HD22 ASN 13 9.596 -1.519 6.399
99 H TYR 14 HN TYR 14 3.682 -3.385 3.552
100 HA TYR 14 HA TYR 14 4.051 -6.118 4.485
101 HB2 TYR 14 HB2 TYR 14 1.834 -4.680 3.048
102 HB3 TYR 14 HB1 TYR 14 1.861 -6.438 3.141
103 HD1 TYR 14 HD1 TYR 14 2.284 -3.520 5.436
104 HD2 TYR 14 HD2 TYR 14 0.631 -7.390 4.843
105 HE1 TYR 14 HE1 TYR 14 1.229 -3.396 7.651
106 HE2 TYR 14 HE2 TYR 14 -0.431 -7.283 7.058
107 HH TYR 14 HH TYR 14 0.361 -4.898 9.363
108 H ILE 15 HN ILE 15 3.422 -7.824 2.706
109 HA ILE 15 HA ILE 15 5.387 -7.487 0.585
110 HB ILE 15 HB ILE 15 5.024 -9.885 0.130
111 HG12 ILE 15 HG12 ILE 15 3.095 -9.709 2.458
112 HG13 ILE 15 HG11 ILE 15 2.683 -10.079 0.788
113 HG21 ILE 15 HG21 ILE 15 5.913 -10.713 2.331
114 HG22 ILE 15 HG22 ILE 15 5.648 -9.088 2.963
115 HG23 ILE 15 HG23 ILE 15 6.777 -9.343 1.633
116 HD11 ILE 15 HD11 ILE 15 3.891 -12.157 0.909
117 HD12 ILE 15 HD12 ILE 15 2.732 -12.062 2.235
118 HD13 ILE 15 HD13 ILE 15 4.445 -11.774 2.538
119 H ILE 16 HN ILE 16 1.940 -8.235 0.949
120 HA ILE 16 HA ILE 16 1.547 -8.032 -1.928
121 HB ILE 16 HB ILE 16 -0.586 -8.919 -1.653
122 HG12 ILE 16 HG12 ILE 16 -1.500 -7.402 -0.012
123 HG13 ILE 16 HG11 ILE 16 -1.760 -9.051 0.548
124 HG21 ILE 16 HG21 ILE 16 1.401 -10.378 -0.881
125 HG22 ILE 16 HG22 ILE 16 -0.245 -10.938 -0.582
126 HG23 ILE 16 HG23 ILE 16 0.689 -10.206 0.723
127 HD11 ILE 16 HD11 ILE 16 0.303 -8.766 1.961
128 HD12 ILE 16 HD12 ILE 16 -1.094 -7.793 2.422
129 HD13 ILE 16 HD13 ILE 16 0.245 -7.054 1.543
130 H TRP 17 HN TRP 17 2.071 -5.755 0.199
131 HA TRP 17 HA TRP 17 0.306 -3.864 -1.134
132 HB2 TRP 17 HB2 TRP 17 0.310 -4.345 1.842
133 HB3 TRP 17 HB1 TRP 17 -0.226 -2.823 1.143
134 HD1 TRP 17 HD1 TRP 17 -1.892 -3.919 -1.304
135 HE1 TRP 17 HE1 TRP 17 -4.116 -5.148 -0.893
136 HE3 TRP 17 HE3 TRP 17 -1.159 -5.322 3.555
137 HZ2 TRP 17 HZ2 TRP 17 -5.390 -6.531 1.213
138 HZ3 TRP 17 HZ3 TRP 17 -2.927 -6.595 4.696
139 HH2 TRP 17 HH2 TRP 17 -4.999 -7.186 3.548
140 H THR 18 HN THR 18 2.243 -3.101 -2.083
141 HA THR 18 HA THR 18 3.923 -1.542 -0.233
142 HB THR 18 HB THR 18 5.170 -3.482 -1.044
143 HG1 THR 18 HG1 THR 18 6.050 -1.098 -2.301
144 HG21 THR 18 HG21 THR 18 3.993 -3.793 -3.193
145 HG22 THR 18 HG22 THR 18 5.750 -3.790 -3.345
146 HG23 THR 18 HG23 THR 18 4.821 -2.366 -3.814
147 H VAL 19 HN VAL 19 1.900 -1.477 -2.957
148 HA VAL 19 HA VAL 19 3.119 0.903 -4.104
149 HB VAL 19 HB VAL 19 0.546 -0.449 -4.922
150 HG11 VAL 19 HG11 VAL 19 1.462 0.690 -7.154
151 HG12 VAL 19 HG12 VAL 19 2.161 1.799 -5.974
152 HG13 VAL 19 HG13 VAL 19 0.417 1.538 -6.013
153 HG21 VAL 19 HG21 VAL 19 2.173 -2.115 -5.198
154 HG22 VAL 19 HG22 VAL 19 3.390 -0.959 -5.740
155 HG23 VAL 19 HG23 VAL 19 2.031 -1.365 -6.788
156 H CYS 20 HN CYS 20 2.790 2.700 -2.916
157 HA CYS 20 HA CYS 20 0.247 3.112 -1.581
158 HB2 CYS 20 HB2 CYS 20 2.944 4.274 -1.391
159 HB3 CYS 20 HB1 CYS 20 1.628 5.419 -1.154
160 H ARG 21 HN ARG 21 -1.382 4.195 -2.404
161 HA ARG 21 HA ARG 21 -0.929 5.881 -4.760
162 HB2 ARG 21 HB2 ARG 21 -2.706 3.858 -4.468
163 HB3 ARG 21 HB1 ARG 21 -3.691 5.208 -3.920
164 HG2 ARG 21 HG2 ARG 21 -2.779 6.309 -6.143
165 HG3 ARG 21 HG1 ARG 21 -2.606 4.617 -6.616
166 HD2 ARG 21 HD2 ARG 21 -5.088 4.581 -5.552
167 HD3 ARG 21 HD1 ARG 21 -5.034 6.229 -6.177
168 HE ARG 21 HE ARG 21 -4.150 4.265 -8.072
169 HH11 ARG 21 HH11 ARG 21 -6.941 5.877 -6.735
170 HH12 ARG 21 HH12 ARG 21 -7.922 5.611 -8.137
171 HH21 ARG 21 HH21 ARG 21 -5.438 3.915 -9.918
172 HH22 ARG 21 HH22 ARG 21 -7.069 4.497 -9.944
173 H ASP 22 HN ASP 22 -3.363 7.336 -4.529
174 HA ASP 22 HA ASP 22 -2.589 9.553 -3.099
175 HB2 ASP 22 HB2 ASP 22 -4.955 10.283 -3.218
176 HB3 ASP 22 HB1 ASP 22 -4.367 9.652 -4.753
177 H GLY 23 HN GLY 23 -1.804 8.995 -1.062
178 HA2 GLY 23 HA2 GLY 23 -1.915 8.709 1.209
179 HA3 GLY 23 HA1 GLY 23 -3.591 9.217 1.082
180 H CYS 24 HN CYS 24 -2.715 6.441 -0.752
181 HA CYS 24 HA CYS 24 -3.807 4.687 1.349
182 HB2 CYS 24 HB2 CYS 24 -4.791 5.164 -1.378
183 HB3 CYS 24 HB1 CYS 24 -4.610 3.462 -0.969
184 H CYS 25 HN CYS 25 -3.325 2.361 0.967
185 HA CYS 25 HA CYS 25 -0.822 1.947 -0.510
186 HB2 CYS 25 HB2 CYS 25 0.306 1.722 1.408
187 HB3 CYS 25 HB1 CYS 25 -1.165 1.907 2.346
188 H ASN 26 HN ASN 26 -0.940 0.289 -1.860
189 HA ASN 26 HA ASN 26 -2.464 -2.078 -1.188
190 HB2 ASN 26 HB2 ASN 26 -3.574 -1.885 -3.561
191 HB3 ASN 26 HB1 ASN 26 -4.298 -1.073 -2.178
192 HD21 ASN 26 HD21 ASN 26 -1.760 -0.423 -4.580
193 HD22 ASN 26 HD22 ASN 26 -2.273 1.189 -4.931
194 H ILE 27 HN ILE 27 -2.460 -3.496 -3.412
195 HA ILE 27 HA ILE 27 0.339 -3.961 -3.898
196 HB ILE 27 HB ILE 27 -1.234 -5.835 -3.600
197 HG12 ILE 27 HG12 ILE 27 -0.428 -7.203 -5.484
198 HG13 ILE 27 HG11 ILE 27 0.058 -5.740 -6.335
199 HG21 ILE 27 HG21 ILE 27 -3.020 -4.530 -5.015
200 HG22 ILE 27 HG22 ILE 27 -3.006 -6.293 -4.974
201 HG23 ILE 27 HG23 ILE 27 -2.305 -5.437 -6.347
202 HD11 ILE 27 HD11 ILE 27 1.938 -6.892 -5.263
203 HD12 ILE 27 HD12 ILE 27 1.172 -6.649 -3.693
204 HD13 ILE 27 HD13 ILE 27 1.704 -5.259 -4.640
205 H SER 28 HN SER 28 -2.419 -2.764 -5.724
206 HA SER 28 HA SER 28 -2.601 -1.733 -7.744
207 HB2 SER 28 HB2 SER 28 -0.681 -0.403 -6.494
208 HB3 SER 28 HB1 SER 28 0.318 -1.092 -7.773
209 HG SER 28 HG SER 28 -1.762 0.767 -7.934
Start of MODEL 16
1 H1 GLN 1 HT1 GLN 1 -9.146 -4.184 -6.645
2 H2 GLN 1 HT2 GLN 1 -10.109 -3.276 -5.552
3 H3 GLN 1 HT3 GLN 1 -9.334 -4.714 -5.025
4 HA GLN 1 HA GLN 1 -7.202 -3.711 -5.397
5 HB2 GLN 1 HB2 GLN 1 -7.912 -2.197 -7.190
6 HB3 GLN 1 HB1 GLN 1 -8.886 -1.282 -6.047
7 HG2 GLN 1 HG2 GLN 1 -6.902 -0.054 -6.404
8 HG3 GLN 1 HG1 GLN 1 -6.775 -0.773 -4.799
9 HE21 GLN 1 HE21 GLN 1 -4.480 -0.026 -5.597
10 HE22 GLN 1 HE22 GLN 1 -3.512 -1.298 -6.253
11 H LEU 2 HN LEU 2 -6.522 -3.727 -3.363
12 HA LEU 2 HA LEU 2 -8.198 -2.806 -1.209
13 HB2 LEU 2 HB2 LEU 2 -6.321 -4.750 -1.404
14 HB3 LEU 2 HB1 LEU 2 -5.375 -3.477 -0.659
15 HG LEU 2 HG LEU 2 -6.152 -4.678 1.166
16 HD11 LEU 2 HD11 LEU 2 -6.739 -2.207 1.210
17 HD12 LEU 2 HD12 LEU 2 -7.580 -3.249 2.358
18 HD13 LEU 2 HD13 LEU 2 -8.400 -2.708 0.894
19 HD21 LEU 2 HD21 LEU 2 -8.493 -5.182 -0.556
20 HD22 LEU 2 HD22 LEU 2 -8.798 -5.108 1.179
21 HD23 LEU 2 HD23 LEU 2 -7.630 -6.263 0.537
22 H CYS 3 HN CYS 3 -8.002 -0.979 -0.024
23 HA CYS 3 HA CYS 3 -5.786 0.844 -0.691
24 HB2 CYS 3 HB2 CYS 3 -8.270 1.339 -1.516
25 HB3 CYS 3 HB1 CYS 3 -8.424 1.971 0.119
26 H LEU 4 HN LEU 4 -4.560 0.419 1.112
27 HA LEU 4 HA LEU 4 -5.830 0.739 3.736
28 HB2 LEU 4 HB2 LEU 4 -2.978 -0.081 3.306
29 HB3 LEU 4 HB1 LEU 4 -4.022 -0.416 4.673
30 HG LEU 4 HG LEU 4 -4.411 -1.628 1.934
31 HD11 LEU 4 HD11 LEU 4 -2.698 -2.413 4.214
32 HD12 LEU 4 HD12 LEU 4 -2.503 -2.713 2.488
33 HD13 LEU 4 HD13 LEU 4 -3.628 -3.691 3.431
34 HD21 LEU 4 HD21 LEU 4 -5.775 -3.254 3.289
35 HD22 LEU 4 HD22 LEU 4 -6.453 -1.632 3.142
36 HD23 LEU 4 HD23 LEU 4 -5.649 -2.120 4.634
37 H LEU 5 HN LEU 5 -5.268 2.335 5.153
38 HA LEU 5 HA LEU 5 -4.470 4.802 4.266
39 HB2 LEU 5 HB2 LEU 5 -5.373 3.877 6.607
40 HB3 LEU 5 HB1 LEU 5 -3.686 4.089 7.037
41 HG LEU 5 HG LEU 5 -4.084 6.486 5.966
42 HD11 LEU 5 HD11 LEU 5 -6.474 7.078 6.956
43 HD12 LEU 5 HD12 LEU 5 -6.792 5.406 6.496
44 HD13 LEU 5 HD13 LEU 5 -6.249 6.565 5.284
45 HD21 LEU 5 HD21 LEU 5 -3.346 6.617 8.102
46 HD22 LEU 5 HD22 LEU 5 -4.475 5.395 8.685
47 HD23 LEU 5 HD23 LEU 5 -5.030 7.045 8.405
48 H CYS 6 HN CYS 6 -2.630 5.615 3.532
49 HA CYS 6 HA CYS 6 -0.089 4.594 4.592
50 HB2 CYS 6 HB2 CYS 6 -0.660 3.567 2.340
51 HB3 CYS 6 HB1 CYS 6 -0.501 5.182 1.660
52 H GLN 7 HN GLN 7 1.741 6.074 4.200
53 HA GLN 7 HA GLN 7 0.829 8.870 4.057
54 HB2 GLN 7 HB2 GLN 7 3.081 7.682 5.680
55 HB3 GLN 7 HB1 GLN 7 2.754 9.404 5.544
56 HG2 GLN 7 HG2 GLN 7 0.972 7.312 6.765
57 HG3 GLN 7 HG1 GLN 7 1.852 8.587 7.606
58 HE21 GLN 7 HE21 GLN 7 -0.892 8.194 7.861
59 HE22 GLN 7 HE22 GLN 7 -1.712 9.555 7.182
60 H THR 8 HN THR 8 3.402 6.614 3.216
61 HA THR 8 HA THR 8 4.360 8.578 1.240
62 HB THR 8 HB THR 8 5.958 8.258 3.119
63 HG1 THR 8 HG1 THR 8 6.764 8.792 1.074
64 HG21 THR 8 HG21 THR 8 5.484 5.471 2.589
65 HG22 THR 8 HG22 THR 8 6.310 6.239 3.945
66 HG23 THR 8 HG23 THR 8 7.199 5.863 2.469
67 H SER 9 HN SER 9 6.173 6.927 -0.076
68 HA SER 9 HA SER 9 4.492 5.578 -1.885
69 HB2 SER 9 HB2 SER 9 7.426 5.887 -1.522
70 HB3 SER 9 HB1 SER 9 6.884 4.533 -2.514
71 HG SER 9 HG SER 9 6.283 7.281 -2.886
72 H ARG 10 HN ARG 10 6.170 4.510 0.977
73 HA ARG 10 HA ARG 10 4.758 1.999 0.876
74 HB2 ARG 10 HB2 ARG 10 6.712 0.567 1.006
75 HB3 ARG 10 HB1 ARG 10 6.760 1.511 -0.476
76 HG2 ARG 10 HG2 ARG 10 8.181 3.124 1.129
77 HG3 ARG 10 HG1 ARG 10 8.547 1.564 1.866
78 HD2 ARG 10 HD2 ARG 10 8.690 1.448 -1.025
79 HD3 ARG 10 HD1 ARG 10 9.764 2.683 -0.368
80 HE ARG 10 HE ARG 10 11.068 1.029 0.538
81 HH11 ARG 10 HH11 ARG 10 8.026 -0.347 -0.481
82 HH12 ARG 10 HH12 ARG 10 8.539 -1.981 -0.231
83 HH21 ARG 10 HH21 ARG 10 11.744 -1.121 0.866
84 HH22 ARG 10 HH22 ARG 10 10.649 -2.421 0.534
85 H ASP 11 HN ASP 11 4.187 3.748 2.687
86 HA ASP 11 HA ASP 11 5.855 3.589 5.033
87 HB2 ASP 11 HB2 ASP 11 4.510 5.606 4.539
88 HB3 ASP 11 HB1 ASP 11 3.039 4.657 4.727
89 H CYS 12 HN CYS 12 3.366 1.725 3.636
90 HA CYS 12 HA CYS 12 2.404 0.541 6.073
91 HB2 CYS 12 HB2 CYS 12 1.314 -1.083 4.422
92 HB3 CYS 12 HB1 CYS 12 0.811 0.600 4.334
93 H ASN 13 HN ASN 13 4.656 -0.305 3.508
94 HA ASN 13 HA ASN 13 6.215 -1.945 3.293
95 HB2 ASN 13 HB2 ASN 13 6.143 -1.723 6.306
96 HB3 ASN 13 HB1 ASN 13 7.366 -2.622 5.411
97 HD21 ASN 13 HD21 ASN 13 8.847 -1.492 4.125
98 HD22 ASN 13 HD22 ASN 13 9.148 0.192 4.362
99 H TYR 14 HN TYR 14 3.577 -2.881 3.110
100 HA TYR 14 HA TYR 14 3.476 -5.357 4.641
101 HB2 TYR 14 HB2 TYR 14 1.560 -3.992 2.763
102 HB3 TYR 14 HB1 TYR 14 1.310 -5.658 3.271
103 HD1 TYR 14 HD1 TYR 14 2.039 -5.648 6.075
104 HD2 TYR 14 HD2 TYR 14 -0.027 -2.689 3.824
105 HE1 TYR 14 HE1 TYR 14 0.948 -4.853 8.131
106 HE2 TYR 14 HE2 TYR 14 -1.121 -1.883 5.872
107 HH TYR 14 HH TYR 14 -0.111 -2.465 8.848
108 H ILE 15 HN ILE 15 2.659 -7.316 3.237
109 HA ILE 15 HA ILE 15 4.762 -7.791 1.292
110 HB ILE 15 HB ILE 15 2.633 -9.713 2.233
111 HG12 ILE 15 HG12 ILE 15 5.382 -9.972 3.273
112 HG13 ILE 15 HG11 ILE 15 4.499 -8.566 3.859
113 HG21 ILE 15 HG21 ILE 15 5.323 -10.217 0.967
114 HG22 ILE 15 HG22 ILE 15 3.772 -10.308 0.134
115 HG23 ILE 15 HG23 ILE 15 4.139 -11.436 1.439
116 HD11 ILE 15 HD11 ILE 15 3.083 -11.157 3.926
117 HD12 ILE 15 HD12 ILE 15 3.050 -9.810 5.065
118 HD13 ILE 15 HD13 ILE 15 4.412 -10.930 5.063
119 H ILE 16 HN ILE 16 1.215 -8.151 1.381
120 HA ILE 16 HA ILE 16 1.137 -8.306 -1.522
121 HB ILE 16 HB ILE 16 -0.255 -9.830 -0.164
122 HG12 ILE 16 HG12 ILE 16 -2.209 -9.702 -1.516
123 HG13 ILE 16 HG11 ILE 16 -2.043 -7.964 -1.723
124 HG21 ILE 16 HG21 ILE 16 -2.254 -7.777 0.472
125 HG22 ILE 16 HG22 ILE 16 -0.764 -7.688 1.410
126 HG23 ILE 16 HG23 ILE 16 -1.716 -9.172 1.407
127 HD11 ILE 16 HD11 ILE 16 -0.084 -8.292 -3.106
128 HD12 ILE 16 HD12 ILE 16 -1.449 -9.210 -3.741
129 HD13 ILE 16 HD13 ILE 16 -0.171 -10.034 -2.847
130 H TRP 17 HN TRP 17 1.640 -5.781 0.259
131 HA TRP 17 HA TRP 17 0.215 -3.987 -1.490
132 HB2 TRP 17 HB2 TRP 17 -0.301 -3.965 1.491
133 HB3 TRP 17 HB1 TRP 17 -0.775 -2.680 0.387
134 HD1 TRP 17 HD1 TRP 17 -2.355 -3.789 -1.806
135 HE1 TRP 17 HE1 TRP 17 -4.422 -5.283 -1.522
136 HE3 TRP 17 HE3 TRP 17 -1.465 -5.514 2.921
137 HZ2 TRP 17 HZ2 TRP 17 -5.535 -6.979 0.443
138 HZ3 TRP 17 HZ3 TRP 17 -3.080 -7.070 3.931
139 HH2 TRP 17 HH2 TRP 17 -5.073 -7.787 2.717
140 H THR 18 HN THR 18 2.219 -3.276 -2.158
141 HA THR 18 HA THR 18 3.808 -1.837 -0.135
142 HB THR 18 HB THR 18 5.025 -3.773 -0.963
143 HG1 THR 18 HG1 THR 18 6.132 -1.729 -0.623
144 HG21 THR 18 HG21 THR 18 3.990 -4.073 -3.135
145 HG22 THR 18 HG22 THR 18 5.742 -3.941 -3.285
146 HG23 THR 18 HG23 THR 18 4.716 -2.569 -3.702
147 H VAL 19 HN VAL 19 2.075 -1.600 -3.082
148 HA VAL 19 HA VAL 19 3.406 0.855 -3.903
149 HB VAL 19 HB VAL 19 0.985 -0.473 -5.131
150 HG11 VAL 19 HG11 VAL 19 1.953 0.843 -7.158
151 HG12 VAL 19 HG12 VAL 19 2.730 1.823 -5.914
152 HG13 VAL 19 HG13 VAL 19 0.972 1.683 -5.957
153 HG21 VAL 19 HG21 VAL 19 3.873 -1.034 -5.357
154 HG22 VAL 19 HG22 VAL 19 2.974 -0.969 -6.873
155 HG23 VAL 19 HG23 VAL 19 2.486 -2.095 -5.606
156 H CYS 20 HN CYS 20 2.914 2.519 -2.579
157 HA CYS 20 HA CYS 20 0.201 2.832 -1.605
158 HB2 CYS 20 HB2 CYS 20 2.806 4.187 -1.007
159 HB3 CYS 20 HB1 CYS 20 1.287 4.916 -0.500
160 H ARG 21 HN ARG 21 -1.231 4.314 -2.211
161 HA ARG 21 HA ARG 21 -0.495 6.078 -4.448
162 HB2 ARG 21 HB2 ARG 21 -2.452 4.210 -4.423
163 HB3 ARG 21 HB1 ARG 21 -3.353 5.596 -3.824
164 HG2 ARG 21 HG2 ARG 21 -2.135 6.738 -5.917
165 HG3 ARG 21 HG1 ARG 21 -2.229 5.075 -6.499
166 HD2 ARG 21 HD2 ARG 21 -4.609 6.493 -5.340
167 HD3 ARG 21 HD1 ARG 21 -4.181 6.634 -7.044
168 HE ARG 21 HE ARG 21 -5.371 4.372 -5.737
169 HH11 ARG 21 HH11 ARG 21 -3.431 5.403 -8.449
170 HH12 ARG 21 HH12 ARG 21 -3.848 4.036 -9.427
171 HH21 ARG 21 HH21 ARG 21 -5.920 2.573 -7.022
172 HH22 ARG 21 HH22 ARG 21 -5.261 2.430 -8.617
173 H ASP 22 HN ASP 22 -2.914 7.671 -4.181
174 HA ASP 22 HA ASP 22 -2.021 9.748 -2.597
175 HB2 ASP 22 HB2 ASP 22 -4.690 9.001 -3.713
176 HB3 ASP 22 HB1 ASP 22 -4.609 10.317 -2.544
177 H GLY 23 HN GLY 23 -1.304 8.915 -0.601
178 HA2 GLY 23 HA2 GLY 23 -1.493 8.495 1.645
179 HA3 GLY 23 HA1 GLY 23 -3.131 9.122 1.526
180 H CYS 24 HN CYS 24 -2.054 6.350 -0.328
181 HA CYS 24 HA CYS 24 -3.459 4.559 1.527
182 HB2 CYS 24 HB2 CYS 24 -4.540 5.429 -0.911
183 HB3 CYS 24 HB1 CYS 24 -3.982 3.787 -1.208
184 H CYS 25 HN CYS 25 -3.163 2.225 0.859
185 HA CYS 25 HA CYS 25 -0.530 1.733 -0.354
186 HB2 CYS 25 HB2 CYS 25 -0.142 1.678 2.029
187 HB3 CYS 25 HB1 CYS 25 -1.551 0.661 2.283
188 H ASN 26 HN ASN 26 -0.659 0.251 -1.916
189 HA ASN 26 HA ASN 26 -2.599 -1.915 -1.682
190 HB2 ASN 26 HB2 ASN 26 -3.436 -1.561 -3.963
191 HB3 ASN 26 HB1 ASN 26 -3.772 -0.170 -2.936
192 HD21 ASN 26 HD21 ASN 26 -2.843 1.772 -3.386
193 HD22 ASN 26 HD22 ASN 26 -1.905 2.077 -4.804
194 H ILE 27 HN ILE 27 -2.359 -3.246 -3.926
195 HA ILE 27 HA ILE 27 0.416 -4.100 -3.908
196 HB ILE 27 HB ILE 27 -1.360 -5.788 -3.720
197 HG12 ILE 27 HG12 ILE 27 -0.523 -7.324 -5.480
198 HG13 ILE 27 HG11 ILE 27 0.254 -5.958 -6.275
199 HG21 ILE 27 HG21 ILE 27 -3.100 -4.773 -5.021
200 HG22 ILE 27 HG22 ILE 27 -2.709 -6.339 -5.732
201 HG23 ILE 27 HG23 ILE 27 -2.117 -4.857 -6.483
202 HD11 ILE 27 HD11 ILE 27 1.028 -6.107 -3.508
203 HD12 ILE 27 HD12 ILE 27 2.026 -6.125 -4.962
204 HD13 ILE 27 HD13 ILE 27 1.344 -7.628 -4.341
205 H SER 28 HN SER 28 -1.920 -2.659 -6.090
206 HA SER 28 HA SER 28 -1.721 -1.683 -8.134
207 HB2 SER 28 HB2 SER 28 0.136 -0.475 -6.931
208 HB3 SER 28 HB1 SER 28 1.257 -1.654 -7.611
209 HG SER 28 HG SER 28 0.658 -0.955 -9.677
Start of MODEL 17
1 H1 GLN 1 HT1 GLN 1 -7.251 -5.363 -5.271
2 H2 GLN 1 HT2 GLN 1 -7.197 -4.645 -6.829
3 H3 GLN 1 HT3 GLN 1 -8.503 -4.305 -5.769
4 HA GLN 1 HA GLN 1 -5.703 -3.663 -5.157
5 HB2 GLN 1 HB2 GLN 1 -7.772 -2.248 -6.776
6 HB3 GLN 1 HB1 GLN 1 -6.740 -1.281 -5.731
7 HG2 GLN 1 HG2 GLN 1 -4.917 -2.865 -6.980
8 HG3 GLN 1 HG1 GLN 1 -6.130 -2.651 -8.241
9 HE21 GLN 1 HE21 GLN 1 -3.792 -1.079 -6.210
10 HE22 GLN 1 HE22 GLN 1 -3.755 0.422 -7.066
11 H LEU 2 HN LEU 2 -5.454 -2.618 -3.230
12 HA LEU 2 HA LEU 2 -7.856 -2.425 -1.548
13 HB2 LEU 2 HB2 LEU 2 -5.236 -3.481 -1.110
14 HB3 LEU 2 HB1 LEU 2 -5.492 -2.149 0.001
15 HG LEU 2 HG LEU 2 -6.120 -4.233 1.053
16 HD11 LEU 2 HD11 LEU 2 -8.459 -3.708 1.644
17 HD12 LEU 2 HD12 LEU 2 -8.495 -2.526 0.335
18 HD13 LEU 2 HD13 LEU 2 -7.399 -2.299 1.698
19 HD21 LEU 2 HD21 LEU 2 -8.351 -5.225 -0.040
20 HD22 LEU 2 HD22 LEU 2 -6.738 -5.808 -0.450
21 HD23 LEU 2 HD23 LEU 2 -7.549 -4.646 -1.500
22 H CYS 3 HN CYS 3 -6.932 -0.802 0.458
23 HA CYS 3 HA CYS 3 -5.840 1.635 -0.601
24 HB2 CYS 3 HB2 CYS 3 -8.441 1.430 -1.146
25 HB3 CYS 3 HB1 CYS 3 -8.580 2.011 0.510
26 H LEU 4 HN LEU 4 -4.652 0.369 1.305
27 HA LEU 4 HA LEU 4 -5.646 1.008 3.933
28 HB2 LEU 4 HB2 LEU 4 -2.836 0.147 3.345
29 HB3 LEU 4 HB1 LEU 4 -3.801 -0.160 4.775
30 HG LEU 4 HG LEU 4 -4.070 -1.478 2.074
31 HD11 LEU 4 HD11 LEU 4 -3.065 -2.285 4.757
32 HD12 LEU 4 HD12 LEU 4 -2.422 -2.641 3.154
33 HD13 LEU 4 HD13 LEU 4 -3.850 -3.493 3.741
34 HD21 LEU 4 HD21 LEU 4 -6.299 -1.100 2.858
35 HD22 LEU 4 HD22 LEU 4 -5.874 -1.636 4.484
36 HD23 LEU 4 HD23 LEU 4 -5.896 -2.791 3.151
37 H LEU 5 HN LEU 5 -5.336 2.844 5.004
38 HA LEU 5 HA LEU 5 -4.228 5.130 3.961
39 HB2 LEU 5 HB2 LEU 5 -5.602 4.582 6.190
40 HB3 LEU 5 HB1 LEU 5 -4.010 4.776 6.898
41 HG LEU 5 HG LEU 5 -5.156 6.872 7.045
42 HD11 LEU 5 HD11 LEU 5 -3.496 8.231 6.256
43 HD12 LEU 5 HD12 LEU 5 -3.382 7.385 4.713
44 HD13 LEU 5 HD13 LEU 5 -2.686 6.667 6.165
45 HD21 LEU 5 HD21 LEU 5 -6.855 6.899 5.500
46 HD22 LEU 5 HD22 LEU 5 -5.823 6.320 4.192
47 HD23 LEU 5 HD23 LEU 5 -5.698 7.992 4.740
48 H CYS 6 HN CYS 6 -2.234 5.736 3.481
49 HA CYS 6 HA CYS 6 -0.012 4.899 5.184
50 HB2 CYS 6 HB2 CYS 6 1.289 3.965 3.486
51 HB3 CYS 6 HB1 CYS 6 -0.317 3.328 3.160
52 H GLN 7 HN GLN 7 2.022 6.110 4.619
53 HA GLN 7 HA GLN 7 1.304 8.867 3.911
54 HB2 GLN 7 HB2 GLN 7 3.645 7.806 5.498
55 HB3 GLN 7 HB1 GLN 7 3.363 9.503 5.134
56 HG2 GLN 7 HG2 GLN 7 1.332 7.853 6.592
57 HG3 GLN 7 HG1 GLN 7 2.672 8.635 7.431
58 HE21 GLN 7 HE21 GLN 7 2.477 10.705 7.984
59 HE22 GLN 7 HE22 GLN 7 1.195 11.753 7.491
60 H THR 8 HN THR 8 4.315 6.999 3.803
61 HA THR 8 HA THR 8 5.118 8.350 1.383
62 HB THR 8 HB THR 8 7.222 7.266 1.649
63 HG1 THR 8 HG1 THR 8 7.316 5.310 2.352
64 HG21 THR 8 HG21 THR 8 6.951 8.970 3.311
65 HG22 THR 8 HG22 THR 8 7.809 7.602 4.021
66 HG23 THR 8 HG23 THR 8 6.099 7.852 4.376
67 H SER 9 HN SER 9 6.330 6.707 -0.225
68 HA SER 9 HA SER 9 4.301 5.406 -1.653
69 HB2 SER 9 HB2 SER 9 7.186 4.650 -1.990
70 HB3 SER 9 HB1 SER 9 5.938 4.856 -3.219
71 HG SER 9 HG SER 9 6.865 6.739 -3.440
72 H ARG 10 HN ARG 10 6.182 4.333 1.012
73 HA ARG 10 HA ARG 10 4.819 1.789 0.975
74 HB2 ARG 10 HB2 ARG 10 7.036 0.556 1.300
75 HB3 ARG 10 HB1 ARG 10 6.627 1.060 -0.334
76 HG2 ARG 10 HG2 ARG 10 8.229 2.727 -0.363
77 HG3 ARG 10 HG1 ARG 10 8.323 2.807 1.397
78 HD2 ARG 10 HD2 ARG 10 10.250 1.666 0.981
79 HD3 ARG 10 HD1 ARG 10 9.136 0.305 1.097
80 HE ARG 10 HE ARG 10 9.269 1.208 -1.571
81 HH11 ARG 10 HH11 ARG 10 11.162 -0.502 0.811
82 HH12 ARG 10 HH12 ARG 10 12.049 -1.412 -0.365
83 HH21 ARG 10 HH21 ARG 10 10.435 0.011 -3.119
84 HH22 ARG 10 HH22 ARG 10 11.637 -1.121 -2.596
85 H ASP 11 HN ASP 11 4.183 3.446 2.814
86 HA ASP 11 HA ASP 11 5.919 3.019 5.146
87 HB2 ASP 11 HB2 ASP 11 5.157 5.360 4.522
88 HB3 ASP 11 HB1 ASP 11 3.530 4.860 4.973
89 H CYS 12 HN CYS 12 4.240 0.957 3.985
90 HA CYS 12 HA CYS 12 2.304 0.550 6.165
91 HB2 CYS 12 HB2 CYS 12 2.194 -0.969 3.580
92 HB3 CYS 12 HB1 CYS 12 0.894 -0.596 4.707
93 H ASN 13 HN ASN 13 5.060 -0.732 4.494
94 HA ASN 13 HA ASN 13 6.457 -2.467 4.933
95 HB2 ASN 13 HB2 ASN 13 5.117 -1.996 7.536
96 HB3 ASN 13 HB1 ASN 13 5.950 -3.536 7.351
97 HD21 ASN 13 HD21 ASN 13 8.147 -3.590 7.291
98 HD22 ASN 13 HD22 ASN 13 9.145 -2.208 7.572
99 H TYR 14 HN TYR 14 3.669 -2.880 3.820
100 HA TYR 14 HA TYR 14 3.097 -5.617 4.629
101 HB2 TYR 14 HB2 TYR 14 1.723 -3.781 2.657
102 HB3 TYR 14 HB1 TYR 14 1.184 -5.412 3.039
103 HD1 TYR 14 HD1 TYR 14 -0.002 -2.424 3.453
104 HD2 TYR 14 HD2 TYR 14 1.593 -5.455 5.977
105 HE1 TYR 14 HE1 TYR 14 -1.313 -1.539 5.335
106 HE2 TYR 14 HE2 TYR 14 0.284 -4.579 7.866
107 HH TYR 14 HH TYR 14 -0.733 -2.217 8.463
108 H ILE 15 HN ILE 15 2.922 -7.342 3.057
109 HA ILE 15 HA ILE 15 5.081 -7.208 1.110
110 HB ILE 15 HB ILE 15 4.757 -9.642 0.867
111 HG12 ILE 15 HG12 ILE 15 2.623 -9.255 2.981
112 HG13 ILE 15 HG11 ILE 15 2.356 -9.770 1.320
113 HG21 ILE 15 HG21 ILE 15 5.078 -9.964 3.566
114 HG22 ILE 15 HG22 ILE 15 5.479 -8.263 3.336
115 HG23 ILE 15 HG23 ILE 15 6.347 -9.503 2.431
116 HD11 ILE 15 HD11 ILE 15 2.298 -11.584 3.039
117 HD12 ILE 15 HD12 ILE 15 4.027 -11.321 3.271
118 HD13 ILE 15 HD13 ILE 15 3.418 -11.848 1.702
119 H ILE 16 HN ILE 16 1.612 -7.939 1.206
120 HA ILE 16 HA ILE 16 1.509 -8.023 -1.702
121 HB ILE 16 HB ILE 16 -0.647 -8.892 -1.556
122 HG12 ILE 16 HG12 ILE 16 -1.679 -7.212 -0.130
123 HG13 ILE 16 HG11 ILE 16 -2.050 -8.818 0.487
124 HG21 ILE 16 HG21 ILE 16 -0.366 -10.816 -0.349
125 HG22 ILE 16 HG22 ILE 16 0.317 -9.975 1.043
126 HG23 ILE 16 HG23 ILE 16 1.293 -10.218 -0.406
127 HD11 ILE 16 HD11 ILE 16 -1.560 -7.540 2.372
128 HD12 ILE 16 HD12 ILE 16 -0.169 -6.775 1.603
129 HD13 ILE 16 HD13 ILE 16 -0.093 -8.473 2.076
130 H TRP 17 HN TRP 17 1.833 -5.557 0.233
131 HA TRP 17 HA TRP 17 0.197 -3.806 -1.419
132 HB2 TRP 17 HB2 TRP 17 0.038 -3.914 1.595
133 HB3 TRP 17 HB1 TRP 17 -0.519 -2.535 0.651
134 HD1 TRP 17 HD1 TRP 17 -2.038 -3.958 -1.674
135 HE1 TRP 17 HE1 TRP 17 -4.207 -5.259 -1.220
136 HE3 TRP 17 HE3 TRP 17 -1.421 -4.846 3.322
137 HZ2 TRP 17 HZ2 TRP 17 -5.489 -6.505 0.967
138 HZ3 TRP 17 HZ3 TRP 17 -3.164 -6.102 4.521
139 HH2 TRP 17 HH2 TRP 17 -5.156 -6.913 3.366
140 H THR 18 HN THR 18 2.155 -3.158 -2.325
141 HA THR 18 HA THR 18 3.879 -1.560 -0.545
142 HB THR 18 HB THR 18 4.913 -2.575 -3.150
143 HG1 THR 18 HG1 THR 18 4.973 -4.576 -2.530
144 HG21 THR 18 HG21 THR 18 6.542 -1.347 -2.098
145 HG22 THR 18 HG22 THR 18 6.919 -2.984 -1.562
146 HG23 THR 18 HG23 THR 18 6.057 -1.880 -0.489
147 H VAL 19 HN VAL 19 1.795 -1.494 -3.237
148 HA VAL 19 HA VAL 19 2.962 0.919 -4.369
149 HB VAL 19 HB VAL 19 0.395 -0.458 -5.168
150 HG11 VAL 19 HG11 VAL 19 2.016 1.779 -6.276
151 HG12 VAL 19 HG12 VAL 19 0.265 1.599 -6.167
152 HG13 VAL 19 HG13 VAL 19 1.168 0.711 -7.394
153 HG21 VAL 19 HG21 VAL 19 1.860 -1.333 -7.068
154 HG22 VAL 19 HG22 VAL 19 2.042 -2.098 -5.489
155 HG23 VAL 19 HG23 VAL 19 3.232 -0.918 -6.040
156 H CYS 20 HN CYS 20 2.664 2.585 -2.965
157 HA CYS 20 HA CYS 20 0.125 2.956 -1.644
158 HB2 CYS 20 HB2 CYS 20 2.824 4.112 -1.440
159 HB3 CYS 20 HB1 CYS 20 1.511 5.240 -1.120
160 H ARG 21 HN ARG 21 -1.510 4.113 -2.356
161 HA ARG 21 HA ARG 21 -1.107 5.874 -4.667
162 HB2 ARG 21 HB2 ARG 21 -2.923 3.888 -4.372
163 HB3 ARG 21 HB1 ARG 21 -3.849 5.237 -3.729
164 HG2 ARG 21 HG2 ARG 21 -2.949 6.375 -5.972
165 HG3 ARG 21 HG1 ARG 21 -2.959 4.688 -6.490
166 HD2 ARG 21 HD2 ARG 21 -5.353 4.722 -5.387
167 HD3 ARG 21 HD1 ARG 21 -5.224 6.453 -5.697
168 HE ARG 21 HE ARG 21 -5.692 4.405 -7.616
169 HH11 ARG 21 HH11 ARG 21 -4.148 7.503 -7.176
170 HH12 ARG 21 HH12 ARG 21 -4.262 7.938 -8.849
171 HH21 ARG 21 HH21 ARG 21 -5.843 4.975 -9.816
172 HH22 ARG 21 HH22 ARG 21 -5.225 6.503 -10.347
173 H ASP 22 HN ASP 22 -3.526 7.370 -4.249
174 HA ASP 22 HA ASP 22 -2.616 9.516 -2.781
175 HB2 ASP 22 HB2 ASP 22 -5.512 8.728 -3.179
176 HB3 ASP 22 HB1 ASP 22 -4.923 10.339 -2.776
177 H GLY 23 HN GLY 23 -1.708 8.796 -0.832
178 HA2 GLY 23 HA2 GLY 23 -1.680 8.359 1.418
179 HA3 GLY 23 HA1 GLY 23 -3.326 8.974 1.442
180 H CYS 24 HN CYS 24 -2.676 6.268 -0.602
181 HA CYS 24 HA CYS 24 -3.839 4.464 1.419
182 HB2 CYS 24 HB2 CYS 24 -4.792 5.134 -1.276
183 HB3 CYS 24 HB1 CYS 24 -4.701 3.405 -0.960
184 H CYS 25 HN CYS 25 -3.504 2.149 0.927
185 HA CYS 25 HA CYS 25 -0.919 1.660 -0.414
186 HB2 CYS 25 HB2 CYS 25 -1.340 1.473 2.279
187 HB3 CYS 25 HB1 CYS 25 -1.694 -0.172 1.768
188 H ASN 26 HN ASN 26 -0.892 0.041 -1.882
189 HA ASN 26 HA ASN 26 -2.750 -2.143 -1.762
190 HB2 ASN 26 HB2 ASN 26 -3.762 -1.695 -3.997
191 HB3 ASN 26 HB1 ASN 26 -4.234 -0.527 -2.766
192 HD21 ASN 26 HD21 ASN 26 -4.575 1.279 -3.875
193 HD22 ASN 26 HD22 ASN 26 -3.433 2.035 -4.928
194 H ILE 27 HN ILE 27 -2.527 -3.566 -3.760
195 HA ILE 27 HA ILE 27 0.282 -4.007 -4.186
196 HB ILE 27 HB ILE 27 -1.264 -5.891 -3.824
197 HG12 ILE 27 HG12 ILE 27 -0.295 -6.293 -6.613
198 HG13 ILE 27 HG11 ILE 27 0.895 -5.867 -5.387
199 HG21 ILE 27 HG21 ILE 27 -2.803 -6.592 -5.570
200 HG22 ILE 27 HG22 ILE 27 -2.367 -5.184 -6.539
201 HG23 ILE 27 HG23 ILE 27 -3.203 -4.971 -5.001
202 HD11 ILE 27 HD11 ILE 27 1.014 -8.069 -5.053
203 HD12 ILE 27 HD12 ILE 27 -0.541 -8.370 -5.829
204 HD13 ILE 27 HD13 ILE 27 -0.481 -7.852 -4.144
205 H SER 28 HN SER 28 -2.486 -3.026 -6.135
206 HA SER 28 HA SER 28 -2.666 -2.107 -8.208
207 HB2 SER 28 HB2 SER 28 -0.112 -1.088 -7.134
208 HB3 SER 28 HB1 SER 28 -0.289 -0.966 -8.884
209 HG SER 28 HG SER 28 -1.115 0.875 -7.803
Start of MODEL 18
1 H1 GLN 1 HT1 GLN 1 -7.149 -6.089 -4.518
2 H2 GLN 1 HT2 GLN 1 -7.314 -5.707 -6.183
3 H3 GLN 1 HT3 GLN 1 -8.641 -5.495 -5.115
4 HA GLN 1 HA GLN 1 -6.086 -4.037 -5.015
5 HB2 GLN 1 HB2 GLN 1 -7.761 -3.656 -6.949
6 HB3 GLN 1 HB1 GLN 1 -8.799 -2.944 -5.722
7 HG2 GLN 1 HG2 GLN 1 -7.473 -1.284 -6.970
8 HG3 GLN 1 HG1 GLN 1 -7.169 -1.258 -5.234
9 HE21 GLN 1 HE21 GLN 1 -5.141 -0.465 -5.220
10 HE22 GLN 1 HE22 GLN 1 -3.781 -1.247 -5.942
11 H LEU 2 HN LEU 2 -5.853 -2.649 -3.306
12 HA LEU 2 HA LEU 2 -8.019 -2.596 -1.314
13 HB2 LEU 2 HB2 LEU 2 -5.399 -3.729 -1.052
14 HB3 LEU 2 HB1 LEU 2 -5.542 -2.364 0.039
15 HG LEU 2 HG LEU 2 -6.142 -4.379 1.208
16 HD11 LEU 2 HD11 LEU 2 -8.574 -2.722 0.555
17 HD12 LEU 2 HD12 LEU 2 -7.385 -2.394 1.815
18 HD13 LEU 2 HD13 LEU 2 -8.421 -3.816 1.929
19 HD21 LEU 2 HD21 LEU 2 -8.546 -4.934 -0.397
20 HD22 LEU 2 HD22 LEU 2 -7.431 -6.041 0.404
21 HD23 LEU 2 HD23 LEU 2 -7.007 -5.339 -1.157
22 H CYS 3 HN CYS 3 -7.020 -0.925 0.530
23 HA CYS 3 HA CYS 3 -5.808 1.401 -0.638
24 HB2 CYS 3 HB2 CYS 3 -8.410 1.322 -1.182
25 HB3 CYS 3 HB1 CYS 3 -8.526 1.961 0.454
26 H LEU 4 HN LEU 4 -4.638 0.227 1.292
27 HA LEU 4 HA LEU 4 -5.592 0.967 3.907
28 HB2 LEU 4 HB2 LEU 4 -2.791 0.069 3.350
29 HB3 LEU 4 HB1 LEU 4 -3.779 -0.218 4.767
30 HG LEU 4 HG LEU 4 -4.071 -1.547 2.072
31 HD11 LEU 4 HD11 LEU 4 -2.354 -2.682 3.069
32 HD12 LEU 4 HD12 LEU 4 -3.735 -3.564 3.721
33 HD13 LEU 4 HD13 LEU 4 -2.927 -2.341 4.702
34 HD21 LEU 4 HD21 LEU 4 -5.757 -1.772 4.561
35 HD22 LEU 4 HD22 LEU 4 -5.827 -2.896 3.203
36 HD23 LEU 4 HD23 LEU 4 -6.269 -1.204 2.971
37 H LEU 5 HN LEU 5 -5.442 2.962 4.660
38 HA LEU 5 HA LEU 5 -4.208 5.120 3.560
39 HB2 LEU 5 HB2 LEU 5 -5.723 4.767 5.733
40 HB3 LEU 5 HB1 LEU 5 -4.176 5.005 6.523
41 HG LEU 5 HG LEU 5 -3.976 7.155 5.165
42 HD11 LEU 5 HD11 LEU 5 -6.818 6.393 4.596
43 HD12 LEU 5 HD12 LEU 5 -5.570 6.944 3.478
44 HD13 LEU 5 HD13 LEU 5 -6.302 8.080 4.611
45 HD21 LEU 5 HD21 LEU 5 -4.346 7.654 7.343
46 HD22 LEU 5 HD22 LEU 5 -5.756 6.601 7.460
47 HD23 LEU 5 HD23 LEU 5 -5.901 8.187 6.704
48 H CYS 6 HN CYS 6 -2.206 5.863 3.311
49 HA CYS 6 HA CYS 6 -0.094 5.024 5.140
50 HB2 CYS 6 HB2 CYS 6 1.361 4.169 3.490
51 HB3 CYS 6 HB1 CYS 6 -0.196 3.419 3.160
52 H GLN 7 HN GLN 7 2.023 6.195 4.519
53 HA GLN 7 HA GLN 7 1.322 8.970 3.847
54 HB2 GLN 7 HB2 GLN 7 3.668 7.954 5.454
55 HB3 GLN 7 HB1 GLN 7 3.260 9.640 5.172
56 HG2 GLN 7 HG2 GLN 7 1.006 9.018 6.287
57 HG3 GLN 7 HG1 GLN 7 1.899 7.631 6.908
58 HE21 GLN 7 HE21 GLN 7 2.369 11.131 6.520
59 HE22 GLN 7 HE22 GLN 7 3.023 11.390 8.097
60 H THR 8 HN THR 8 4.292 7.031 3.806
61 HA THR 8 HA THR 8 5.207 8.402 1.433
62 HB THR 8 HB THR 8 7.213 6.911 1.695
63 HG1 THR 8 HG1 THR 8 5.935 5.257 2.841
64 HG21 THR 8 HG21 THR 8 7.258 9.080 2.757
65 HG22 THR 8 HG22 THR 8 8.034 7.876 3.787
66 HG23 THR 8 HG23 THR 8 6.402 8.435 4.158
67 H SER 9 HN SER 9 6.453 6.709 -0.131
68 HA SER 9 HA SER 9 4.425 5.481 -1.636
69 HB2 SER 9 HB2 SER 9 7.036 6.199 -2.098
70 HB3 SER 9 HB1 SER 9 7.128 4.438 -2.113
71 HG SER 9 HG SER 9 5.316 6.004 -3.639
72 H ARG 10 HN ARG 10 6.177 4.346 1.082
73 HA ARG 10 HA ARG 10 4.797 1.812 0.933
74 HB2 ARG 10 HB2 ARG 10 6.874 0.481 1.257
75 HB3 ARG 10 HB1 ARG 10 6.766 1.241 -0.325
76 HG2 ARG 10 HG2 ARG 10 8.176 2.786 1.749
77 HG3 ARG 10 HG1 ARG 10 8.962 1.299 1.215
78 HD2 ARG 10 HD2 ARG 10 9.387 2.108 -0.853
79 HD3 ARG 10 HD1 ARG 10 7.883 3.025 -0.918
80 HE ARG 10 HE ARG 10 9.608 4.216 0.952
81 HH11 ARG 10 HH11 ARG 10 9.297 3.748 -2.492
82 HH12 ARG 10 HH12 ARG 10 10.156 5.196 -2.893
83 HH21 ARG 10 HH21 ARG 10 10.739 6.121 0.427
84 HH22 ARG 10 HH22 ARG 10 10.976 6.544 -1.236
85 H ASP 11 HN ASP 11 3.964 3.274 2.763
86 HA ASP 11 HA ASP 11 5.589 2.911 5.188
87 HB2 ASP 11 HB2 ASP 11 4.680 5.225 4.478
88 HB3 ASP 11 HB1 ASP 11 3.116 4.618 5.014
89 H CYS 12 HN CYS 12 4.121 0.781 3.930
90 HA CYS 12 HA CYS 12 2.044 0.267 5.954
91 HB2 CYS 12 HB2 CYS 12 1.837 -1.587 3.791
92 HB3 CYS 12 HB1 CYS 12 0.681 -0.362 4.297
93 H ASN 13 HN ASN 13 4.933 -0.922 4.410
94 HA ASN 13 HA ASN 13 6.376 -2.596 4.939
95 HB2 ASN 13 HB2 ASN 13 5.644 -1.596 7.329
96 HB3 ASN 13 HB1 ASN 13 5.050 -3.244 7.511
97 HD21 ASN 13 HD21 ASN 13 7.926 -1.508 6.372
98 HD22 ASN 13 HD22 ASN 13 9.070 -2.600 7.067
99 H TYR 14 HN TYR 14 3.560 -3.096 3.837
100 HA TYR 14 HA TYR 14 3.103 -5.852 4.651
101 HB2 TYR 14 HB2 TYR 14 1.633 -4.038 2.730
102 HB3 TYR 14 HB1 TYR 14 1.165 -5.702 3.066
103 HD1 TYR 14 HD1 TYR 14 1.354 -6.004 5.898
104 HD2 TYR 14 HD2 TYR 14 0.113 -2.591 3.683
105 HE1 TYR 14 HE1 TYR 14 0.030 -5.243 7.825
106 HE2 TYR 14 HE2 TYR 14 -1.213 -1.819 5.604
107 HH TYR 14 HH TYR 14 -2.336 -2.976 7.651
108 H ILE 15 HN ILE 15 2.829 -7.534 2.984
109 HA ILE 15 HA ILE 15 5.029 -7.400 1.083
110 HB ILE 15 HB ILE 15 4.812 -9.387 2.532
111 HG12 ILE 15 HG12 ILE 15 4.275 -10.501 -0.162
112 HG13 ILE 15 HG11 ILE 15 5.562 -9.304 -0.058
113 HG21 ILE 15 HG21 ILE 15 3.035 -10.905 2.408
114 HG22 ILE 15 HG22 ILE 15 2.410 -10.189 0.923
115 HG23 ILE 15 HG23 ILE 15 2.260 -9.322 2.450
116 HD11 ILE 15 HD11 ILE 15 5.376 -11.971 1.289
117 HD12 ILE 15 HD12 ILE 15 6.495 -10.723 1.837
118 HD13 ILE 15 HD13 ILE 15 6.623 -11.365 0.200
119 H ILE 16 HN ILE 16 1.541 -8.065 1.081
120 HA ILE 16 HA ILE 16 1.499 -8.030 -1.828
121 HB ILE 16 HB ILE 16 -0.671 -8.872 -1.760
122 HG12 ILE 16 HG12 ILE 16 -1.698 -7.229 -0.277
123 HG13 ILE 16 HG11 ILE 16 -2.120 -8.856 0.244
124 HG21 ILE 16 HG21 ILE 16 1.189 -10.313 -0.706
125 HG22 ILE 16 HG22 ILE 16 -0.488 -10.834 -0.543
126 HG23 ILE 16 HG23 ILE 16 0.324 -10.041 0.807
127 HD11 ILE 16 HD11 ILE 16 -1.651 -7.711 2.210
128 HD12 ILE 16 HD12 ILE 16 -0.240 -6.911 1.519
129 HD13 ILE 16 HD13 ILE 16 -0.183 -8.634 1.890
130 H TRP 17 HN TRP 17 1.811 -5.634 0.200
131 HA TRP 17 HA TRP 17 0.217 -3.818 -1.431
132 HB2 TRP 17 HB2 TRP 17 0.026 -3.979 1.582
133 HB3 TRP 17 HB1 TRP 17 -0.543 -2.604 0.644
134 HD1 TRP 17 HD1 TRP 17 -2.076 -3.976 -1.677
135 HE1 TRP 17 HE1 TRP 17 -4.222 -5.321 -1.233
136 HE3 TRP 17 HE3 TRP 17 -1.377 -5.008 3.279
137 HZ2 TRP 17 HZ2 TRP 17 -5.457 -6.649 0.931
138 HZ3 TRP 17 HZ3 TRP 17 -3.087 -6.321 4.464
139 HH2 TRP 17 HH2 TRP 17 -5.085 -7.124 3.312
140 H THR 18 HN THR 18 2.251 -3.189 -2.275
141 HA THR 18 HA THR 18 3.898 -1.616 -0.403
142 HB THR 18 HB THR 18 5.769 -2.023 -2.062
143 HG1 THR 18 HG1 THR 18 5.432 -3.276 -3.715
144 HG21 THR 18 HG21 THR 18 4.568 -4.194 -0.415
145 HG22 THR 18 HG22 THR 18 6.070 -3.299 -0.180
146 HG23 THR 18 HG23 THR 18 5.965 -4.533 -1.436
147 H VAL 19 HN VAL 19 1.912 -1.491 -3.161
148 HA VAL 19 HA VAL 19 3.151 0.914 -4.233
149 HB VAL 19 HB VAL 19 0.587 -0.407 -5.126
150 HG11 VAL 19 HG11 VAL 19 0.538 1.040 -6.860
151 HG12 VAL 19 HG12 VAL 19 2.296 1.113 -6.990
152 HG13 VAL 19 HG13 VAL 19 1.463 2.056 -5.754
153 HG21 VAL 19 HG21 VAL 19 2.391 -2.017 -5.278
154 HG22 VAL 19 HG22 VAL 19 3.404 -0.841 -6.114
155 HG23 VAL 19 HG23 VAL 19 1.948 -1.459 -6.892
156 H CYS 20 HN CYS 20 2.804 2.672 -2.989
157 HA CYS 20 HA CYS 20 0.235 3.048 -1.697
158 HB2 CYS 20 HB2 CYS 20 2.932 4.204 -1.423
159 HB3 CYS 20 HB1 CYS 20 1.603 5.322 -1.136
160 H ARG 21 HN ARG 21 -1.366 4.205 -2.474
161 HA ARG 21 HA ARG 21 -0.871 5.954 -4.777
162 HB2 ARG 21 HB2 ARG 21 -3.555 4.961 -3.813
163 HB3 ARG 21 HB1 ARG 21 -3.159 5.651 -5.381
164 HG2 ARG 21 HG2 ARG 21 -2.062 3.034 -4.383
165 HG3 ARG 21 HG1 ARG 21 -3.514 3.183 -5.375
166 HD2 ARG 21 HD2 ARG 21 -1.748 4.656 -6.812
167 HD3 ARG 21 HD1 ARG 21 -0.679 3.442 -6.112
168 HE ARG 21 HE ARG 21 -2.726 1.968 -7.081
169 HH11 ARG 21 HH11 ARG 21 -0.688 4.425 -8.491
170 HH12 ARG 21 HH12 ARG 21 -0.783 3.765 -10.089
171 HH21 ARG 21 HH21 ARG 21 -2.852 1.097 -9.182
172 HH22 ARG 21 HH22 ARG 21 -2.012 1.876 -10.482
173 H ASP 22 HN ASP 22 -3.311 7.427 -4.490
174 HA ASP 22 HA ASP 22 -2.509 9.597 -3.011
175 HB2 ASP 22 HB2 ASP 22 -4.609 9.119 -4.631
176 HB3 ASP 22 HB1 ASP 22 -5.434 9.118 -3.075
177 H GLY 23 HN GLY 23 -1.674 8.960 -1.012
178 HA2 GLY 23 HA2 GLY 23 -1.731 8.598 1.250
179 HA3 GLY 23 HA1 GLY 23 -3.398 9.145 1.184
180 H CYS 24 HN CYS 24 -2.658 6.416 -0.768
181 HA CYS 24 HA CYS 24 -3.745 4.624 1.306
182 HB2 CYS 24 HB2 CYS 24 -4.803 5.254 -1.330
183 HB3 CYS 24 HB1 CYS 24 -4.533 3.526 -1.129
184 H CYS 25 HN CYS 25 -3.319 2.300 0.857
185 HA CYS 25 HA CYS 25 -0.799 1.879 -0.603
186 HB2 CYS 25 HB2 CYS 25 -0.232 2.018 1.750
187 HB3 CYS 25 HB1 CYS 25 -1.496 0.867 2.160
188 H ASN 26 HN ASN 26 -0.897 0.264 -2.014
189 HA ASN 26 HA ASN 26 -2.563 -2.055 -1.507
190 HB2 ASN 26 HB2 ASN 26 -3.549 -1.805 -3.878
191 HB3 ASN 26 HB1 ASN 26 -4.235 -0.818 -2.592
192 HD21 ASN 26 HD21 ASN 26 -1.696 -0.721 -5.064
193 HD22 ASN 26 HD22 ASN 26 -1.923 0.941 -5.476
194 H ILE 27 HN ILE 27 -2.451 -3.434 -3.741
195 HA ILE 27 HA ILE 27 0.351 -4.022 -4.024
196 HB ILE 27 HB ILE 27 -1.309 -5.827 -3.876
197 HG12 ILE 27 HG12 ILE 27 -0.484 -7.168 -5.810
198 HG13 ILE 27 HG11 ILE 27 0.204 -5.699 -6.494
199 HG21 ILE 27 HG21 ILE 27 -3.068 -6.101 -5.270
200 HG22 ILE 27 HG22 ILE 27 -2.206 -5.455 -6.665
201 HG23 ILE 27 HG23 ILE 27 -2.885 -4.358 -5.463
202 HD11 ILE 27 HD11 ILE 27 0.954 -6.752 -3.784
203 HD12 ILE 27 HD12 ILE 27 1.769 -5.510 -4.734
204 HD13 ILE 27 HD13 ILE 27 1.801 -7.190 -5.268
205 H SER 28 HN SER 28 -2.164 -2.543 -5.964
206 HA SER 28 HA SER 28 -0.361 -1.179 -7.625
207 HB2 SER 28 HB2 SER 28 -1.347 -3.814 -8.629
208 HB3 SER 28 HB1 SER 28 -1.209 -2.480 -9.774
209 HG SER 28 HG SER 28 0.942 -2.414 -9.463
Start of MODEL 19
1 H1 GLN 1 HT1 GLN 1 -7.327 -4.995 -6.639
2 H2 GLN 1 HT2 GLN 1 -8.653 -4.796 -5.567
3 H3 GLN 1 HT3 GLN 1 -7.172 -5.444 -4.992
4 HA GLN 1 HA GLN 1 -6.067 -3.402 -5.381
5 HB2 GLN 1 HB2 GLN 1 -7.809 -2.961 -7.314
6 HB3 GLN 1 HB1 GLN 1 -8.684 -2.113 -6.046
7 HG2 GLN 1 HG2 GLN 1 -7.299 -0.595 -7.344
8 HG3 GLN 1 HG1 GLN 1 -6.772 -0.668 -5.664
9 HE21 GLN 1 HE21 GLN 1 -4.658 -0.336 -5.698
10 HE22 GLN 1 HE22 GLN 1 -3.521 -1.178 -6.689
11 H LEU 2 HN LEU 2 -5.686 -2.706 -3.388
12 HA LEU 2 HA LEU 2 -7.935 -2.506 -1.507
13 HB2 LEU 2 HB2 LEU 2 -5.191 -3.454 -1.293
14 HB3 LEU 2 HB1 LEU 2 -5.591 -2.298 -0.036
15 HG LEU 2 HG LEU 2 -5.987 -4.553 0.751
16 HD11 LEU 2 HD11 LEU 2 -8.216 -4.298 1.558
17 HD12 LEU 2 HD12 LEU 2 -8.640 -3.236 0.215
18 HD13 LEU 2 HD13 LEU 2 -7.498 -2.691 1.444
19 HD21 LEU 2 HD21 LEU 2 -8.110 -5.629 -0.473
20 HD22 LEU 2 HD22 LEU 2 -6.446 -5.990 -0.935
21 HD23 LEU 2 HD23 LEU 2 -7.376 -4.799 -1.845
22 H CYS 3 HN CYS 3 -7.014 -0.904 0.419
23 HA CYS 3 HA CYS 3 -5.844 1.507 -0.615
24 HB2 CYS 3 HB2 CYS 3 -8.438 1.377 -1.199
25 HB3 CYS 3 HB1 CYS 3 -8.590 1.944 0.460
26 H LEU 4 HN LEU 4 -4.555 0.488 1.229
27 HA LEU 4 HA LEU 4 -5.618 1.008 3.881
28 HB2 LEU 4 HB2 LEU 4 -2.781 0.231 3.305
29 HB3 LEU 4 HB1 LEU 4 -3.746 -0.109 4.727
30 HG LEU 4 HG LEU 4 -4.022 -1.404 2.014
31 HD11 LEU 4 HD11 LEU 4 -3.583 -2.996 4.445
32 HD12 LEU 4 HD12 LEU 4 -2.230 -1.977 3.954
33 HD13 LEU 4 HD13 LEU 4 -2.892 -3.165 2.832
34 HD21 LEU 4 HD21 LEU 4 -5.599 -2.871 3.601
35 HD22 LEU 4 HD22 LEU 4 -6.196 -1.520 2.638
36 HD23 LEU 4 HD23 LEU 4 -5.833 -1.291 4.348
37 H LEU 5 HN LEU 5 -5.329 2.830 4.992
38 HA LEU 5 HA LEU 5 -4.274 5.150 3.930
39 HB2 LEU 5 HB2 LEU 5 -4.632 4.340 6.811
40 HB3 LEU 5 HB1 LEU 5 -4.201 5.965 6.312
41 HG LEU 5 HG LEU 5 -6.760 4.510 5.646
42 HD11 LEU 5 HD11 LEU 5 -7.666 6.558 6.922
43 HD12 LEU 5 HD12 LEU 5 -6.030 6.685 7.567
44 HD13 LEU 5 HD13 LEU 5 -6.975 5.222 7.843
45 HD21 LEU 5 HD21 LEU 5 -5.679 7.167 4.751
46 HD22 LEU 5 HD22 LEU 5 -7.401 6.788 4.732
47 HD23 LEU 5 HD23 LEU 5 -6.278 5.837 3.761
48 H CYS 6 HN CYS 6 -2.278 5.766 3.466
49 HA CYS 6 HA CYS 6 -0.081 5.003 5.238
50 HB2 CYS 6 HB2 CYS 6 1.295 4.111 3.560
51 HB3 CYS 6 HB1 CYS 6 -0.278 3.385 3.257
52 H GLN 7 HN GLN 7 1.984 6.204 4.552
53 HA GLN 7 HA GLN 7 1.216 8.955 3.855
54 HB2 GLN 7 HB2 GLN 7 3.589 7.982 5.449
55 HB3 GLN 7 HB1 GLN 7 3.205 9.664 5.111
56 HG2 GLN 7 HG2 GLN 7 0.958 9.137 6.272
57 HG3 GLN 7 HG1 GLN 7 1.813 7.737 6.919
58 HE21 GLN 7 HE21 GLN 7 1.218 8.926 8.938
59 HE22 GLN 7 HE22 GLN 7 2.350 10.086 9.536
60 H THR 8 HN THR 8 4.233 7.091 3.781
61 HA THR 8 HA THR 8 5.071 8.456 1.379
62 HB THR 8 HB THR 8 7.111 7.011 1.609
63 HG1 THR 8 HG1 THR 8 5.876 5.335 2.786
64 HG21 THR 8 HG21 THR 8 8.032 8.455 3.022
65 HG22 THR 8 HG22 THR 8 6.918 8.033 4.322
66 HG23 THR 8 HG23 THR 8 6.438 9.206 3.095
67 H SER 9 HN SER 9 6.322 6.790 -0.201
68 HA SER 9 HA SER 9 4.304 5.521 -1.680
69 HB2 SER 9 HB2 SER 9 7.279 5.638 -1.819
70 HB3 SER 9 HB1 SER 9 6.461 4.385 -2.752
71 HG SER 9 HG SER 9 5.170 6.098 -3.661
72 H ARG 10 HN ARG 10 6.086 4.422 1.031
73 HA ARG 10 HA ARG 10 4.715 1.892 0.942
74 HB2 ARG 10 HB2 ARG 10 6.917 0.627 1.281
75 HB3 ARG 10 HB1 ARG 10 6.515 1.136 -0.353
76 HG2 ARG 10 HG2 ARG 10 8.157 2.984 1.277
77 HG3 ARG 10 HG1 ARG 10 8.920 1.497 0.709
78 HD2 ARG 10 HD2 ARG 10 8.049 2.101 -1.595
79 HD3 ARG 10 HD1 ARG 10 7.665 3.687 -0.927
80 HE ARG 10 HE ARG 10 10.329 3.132 -0.326
81 HH11 ARG 10 HH11 ARG 10 8.342 3.707 -3.136
82 HH12 ARG 10 HH12 ARG 10 9.636 4.383 -4.067
83 HH21 ARG 10 HH21 ARG 10 12.032 4.020 -1.549
84 HH22 ARG 10 HH22 ARG 10 11.731 4.560 -3.167
85 H ASP 11 HN ASP 11 4.018 3.419 2.803
86 HA ASP 11 HA ASP 11 5.775 3.125 5.131
87 HB2 ASP 11 HB2 ASP 11 4.765 5.363 4.598
88 HB3 ASP 11 HB1 ASP 11 3.181 4.668 4.926
89 H CYS 12 HN CYS 12 4.188 0.950 3.845
90 HA CYS 12 HA CYS 12 2.485 0.217 6.130
91 HB2 CYS 12 HB2 CYS 12 2.297 -0.956 3.358
92 HB3 CYS 12 HB1 CYS 12 1.116 -1.051 4.660
93 H ASN 13 HN ASN 13 5.167 -0.697 4.127
94 HA ASN 13 HA ASN 13 6.661 -2.406 4.211
95 HB2 ASN 13 HB2 ASN 13 6.450 -1.485 6.723
96 HB3 ASN 13 HB1 ASN 13 5.910 -3.140 6.988
97 HD21 ASN 13 HD21 ASN 13 7.687 -3.742 8.163
98 HD22 ASN 13 HD22 ASN 13 9.260 -3.919 7.471
99 H TYR 14 HN TYR 14 3.758 -2.973 3.601
100 HA TYR 14 HA TYR 14 3.475 -5.732 4.480
101 HB2 TYR 14 HB2 TYR 14 1.678 -4.053 2.717
102 HB3 TYR 14 HB1 TYR 14 1.295 -5.651 3.346
103 HD1 TYR 14 HD1 TYR 14 2.674 -4.924 6.122
104 HD2 TYR 14 HD2 TYR 14 -0.348 -3.126 3.726
105 HE1 TYR 14 HE1 TYR 14 1.699 -3.897 8.132
106 HE2 TYR 14 HE2 TYR 14 -1.329 -2.093 5.729
107 HH TYR 14 HH TYR 14 -0.405 -2.986 8.899
108 H ILE 15 HN ILE 15 3.108 -7.465 2.953
109 HA ILE 15 HA ILE 15 4.925 -7.276 0.693
110 HB ILE 15 HB ILE 15 3.369 -9.697 1.600
111 HG12 ILE 15 HG12 ILE 15 4.723 -8.824 3.458
112 HG13 ILE 15 HG11 ILE 15 5.372 -10.347 2.858
113 HG21 ILE 15 HG21 ILE 15 4.751 -10.960 0.251
114 HG22 ILE 15 HG22 ILE 15 6.017 -9.731 0.217
115 HG23 ILE 15 HG23 ILE 15 4.537 -9.500 -0.715
116 HD11 ILE 15 HD11 ILE 15 6.573 -8.107 1.504
117 HD12 ILE 15 HD12 ILE 15 7.329 -9.413 2.417
118 HD13 ILE 15 HD13 ILE 15 6.750 -7.973 3.254
119 H ILE 16 HN ILE 16 1.517 -8.007 1.313
120 HA ILE 16 HA ILE 16 0.930 -8.214 -1.516
121 HB ILE 16 HB ILE 16 -0.235 -9.668 0.081
122 HG12 ILE 16 HG12 ILE 16 -2.421 -9.479 -0.850
123 HG13 ILE 16 HG11 ILE 16 -2.242 -7.748 -1.104
124 HG21 ILE 16 HG21 ILE 16 -2.187 -8.199 1.277
125 HG22 ILE 16 HG22 ILE 16 -0.806 -7.107 1.378
126 HG23 ILE 16 HG23 ILE 16 -0.698 -8.729 2.059
127 HD11 ILE 16 HD11 ILE 16 -0.429 -9.656 -2.508
128 HD12 ILE 16 HD12 ILE 16 -0.927 -8.030 -2.975
129 HD13 ILE 16 HD13 ILE 16 -2.063 -9.372 -3.108
130 H TRP 17 HN TRP 17 1.553 -5.648 0.381
131 HA TRP 17 HA TRP 17 0.039 -3.860 -1.325
132 HB2 TRP 17 HB2 TRP 17 -0.273 -3.845 1.685
133 HB3 TRP 17 HB1 TRP 17 -0.836 -2.562 0.617
134 HD1 TRP 17 HD1 TRP 17 -2.462 -3.811 -1.532
135 HE1 TRP 17 HE1 TRP 17 -4.508 -5.305 -1.102
136 HE3 TRP 17 HE3 TRP 17 -1.422 -5.251 3.260
137 HZ2 TRP 17 HZ2 TRP 17 -5.548 -6.889 0.993
138 HZ3 TRP 17 HZ3 TRP 17 -2.993 -6.757 4.407
139 HH2 TRP 17 HH2 TRP 17 -5.014 -7.559 3.295
140 H THR 18 HN THR 18 2.024 -3.207 -2.120
141 HA THR 18 HA THR 18 3.718 -1.712 -0.226
142 HB THR 18 HB THR 18 4.855 -2.686 -2.798
143 HG1 THR 18 HG1 THR 18 4.579 -4.363 -0.532
144 HG21 THR 18 HG21 THR 18 6.878 -2.777 -1.665
145 HG22 THR 18 HG22 THR 18 6.100 -2.830 -0.083
146 HG23 THR 18 HG23 THR 18 6.096 -1.335 -1.018
147 H VAL 19 HN VAL 19 1.838 -1.566 -3.090
148 HA VAL 19 HA VAL 19 3.107 0.859 -4.063
149 HB VAL 19 HB VAL 19 0.581 -0.460 -5.066
150 HG11 VAL 19 HG11 VAL 19 0.585 1.004 -6.798
151 HG12 VAL 19 HG12 VAL 19 2.343 1.150 -6.815
152 HG13 VAL 19 HG13 VAL 19 1.397 2.026 -5.612
153 HG21 VAL 19 HG21 VAL 19 3.466 -0.932 -5.745
154 HG22 VAL 19 HG22 VAL 19 2.177 -1.279 -6.897
155 HG23 VAL 19 HG23 VAL 19 2.217 -2.110 -5.342
156 H CYS 20 HN CYS 20 2.710 2.636 -2.894
157 HA CYS 20 HA CYS 20 0.139 2.979 -1.601
158 HB2 CYS 20 HB2 CYS 20 2.816 4.191 -1.354
159 HB3 CYS 20 HB1 CYS 20 1.467 5.281 -1.061
160 H ARG 21 HN ARG 21 -1.482 4.123 -2.366
161 HA ARG 21 HA ARG 21 -1.035 5.836 -4.706
162 HB2 ARG 21 HB2 ARG 21 -2.949 3.866 -4.198
163 HB3 ARG 21 HB1 ARG 21 -3.819 5.378 -3.976
164 HG2 ARG 21 HG2 ARG 21 -2.185 5.450 -6.356
165 HG3 ARG 21 HG1 ARG 21 -3.295 4.078 -6.373
166 HD2 ARG 21 HD2 ARG 21 -5.039 5.870 -5.598
167 HD3 ARG 21 HD1 ARG 21 -3.886 7.004 -6.299
168 HE ARG 21 HE ARG 21 -4.516 6.301 -8.383
169 HH11 ARG 21 HH11 ARG 21 -5.632 3.979 -6.028
170 HH12 ARG 21 HH12 ARG 21 -6.564 3.077 -7.175
171 HH21 ARG 21 HH21 ARG 21 -5.742 5.115 -9.893
172 HH22 ARG 21 HH22 ARG 21 -6.626 3.721 -9.369
173 H ASP 22 HN ASP 22 -3.499 7.313 -4.346
174 HA ASP 22 HA ASP 22 -2.627 9.505 -2.927
175 HB2 ASP 22 HB2 ASP 22 -5.309 8.554 -3.815
176 HB3 ASP 22 HB1 ASP 22 -5.251 9.894 -2.673
177 H GLY 23 HN GLY 23 -1.700 8.835 -0.965
178 HA2 GLY 23 HA2 GLY 23 -1.659 8.443 1.295
179 HA3 GLY 23 HA1 GLY 23 -3.308 9.050 1.313
180 H CYS 24 HN CYS 24 -2.660 6.306 -0.677
181 HA CYS 24 HA CYS 24 -3.800 4.538 1.388
182 HB2 CYS 24 HB2 CYS 24 -4.831 5.209 -1.250
183 HB3 CYS 24 HB1 CYS 24 -4.630 3.473 -1.042
184 H CYS 25 HN CYS 25 -3.494 2.200 0.873
185 HA CYS 25 HA CYS 25 -0.878 1.711 -0.406
186 HB2 CYS 25 HB2 CYS 25 -1.520 1.392 2.282
187 HB3 CYS 25 HB1 CYS 25 -1.656 -0.235 1.630
188 H ASN 26 HN ASN 26 -0.772 0.053 -1.845
189 HA ASN 26 HA ASN 26 -2.854 -1.961 -1.913
190 HB2 ASN 26 HB2 ASN 26 -3.251 -1.513 -4.388
191 HB3 ASN 26 HB1 ASN 26 -3.964 -0.362 -3.262
192 HD21 ASN 26 HD21 ASN 26 -1.750 -0.840 -5.821
193 HD22 ASN 26 HD22 ASN 26 -1.225 0.799 -5.976
194 H ILE 27 HN ILE 27 -2.456 -3.481 -3.850
195 HA ILE 27 HA ILE 27 0.284 -4.340 -3.664
196 HB ILE 27 HB ILE 27 -1.555 -5.970 -3.629
197 HG12 ILE 27 HG12 ILE 27 -0.582 -7.579 -5.200
198 HG13 ILE 27 HG11 ILE 27 0.230 -6.271 -6.055
199 HG21 ILE 27 HG21 ILE 27 -2.010 -5.777 -6.539
200 HG22 ILE 27 HG22 ILE 27 -2.730 -4.512 -5.544
201 HG23 ILE 27 HG23 ILE 27 -3.123 -6.204 -5.239
202 HD11 ILE 27 HD11 ILE 27 1.672 -7.586 -4.502
203 HD12 ILE 27 HD12 ILE 27 0.730 -6.926 -3.166
204 HD13 ILE 27 HD13 ILE 27 1.659 -5.848 -4.207
205 H SER 28 HN SER 28 -1.773 -2.824 -6.061
206 HA SER 28 HA SER 28 0.365 -1.773 -7.538
207 HB2 SER 28 HB2 SER 28 -0.181 -3.157 -9.682
208 HB3 SER 28 HB1 SER 28 0.908 -3.840 -8.474
209 HG SER 28 HG SER 28 -1.105 -5.052 -9.389
Start of MODEL 20
1 H1 GLN 1 HT1 GLN 1 -8.837 -4.945 -6.229
2 H2 GLN 1 HT2 GLN 1 -9.793 -4.351 -4.933
3 H3 GLN 1 HT3 GLN 1 -8.919 -5.818 -4.756
4 HA GLN 1 HA GLN 1 -6.890 -4.746 -4.747
5 HB2 GLN 1 HB2 GLN 1 -8.145 -2.995 -6.463
6 HB3 GLN 1 HB1 GLN 1 -7.912 -2.009 -5.026
7 HG2 GLN 1 HG2 GLN 1 -5.473 -3.114 -5.224
8 HG3 GLN 1 HG1 GLN 1 -5.941 -3.095 -6.924
9 HE21 GLN 1 HE21 GLN 1 -3.826 -1.602 -5.880
10 HE22 GLN 1 HE22 GLN 1 -4.214 0.075 -6.020
11 H LEU 2 HN LEU 2 -6.114 -2.971 -3.137
12 HA LEU 2 HA LEU 2 -8.050 -2.672 -0.947
13 HB2 LEU 2 HB2 LEU 2 -6.211 -4.600 -0.816
14 HB3 LEU 2 HB1 LEU 2 -5.220 -3.267 -0.257
15 HG LEU 2 HG LEU 2 -5.982 -4.071 1.740
16 HD11 LEU 2 HD11 LEU 2 -8.319 -2.308 1.041
17 HD12 LEU 2 HD12 LEU 2 -6.714 -1.701 1.450
18 HD13 LEU 2 HD13 LEU 2 -7.640 -2.616 2.639
19 HD21 LEU 2 HD21 LEU 2 -7.756 -5.445 2.059
20 HD22 LEU 2 HD22 LEU 2 -7.599 -5.635 0.313
21 HD23 LEU 2 HD23 LEU 2 -8.803 -4.529 0.975
22 H CYS 3 HN CYS 3 -8.089 -0.695 -0.080
23 HA CYS 3 HA CYS 3 -5.869 1.135 -0.723
24 HB2 CYS 3 HB2 CYS 3 -8.382 1.457 -1.588
25 HB3 CYS 3 HB1 CYS 3 -8.545 2.223 -0.012
26 H LEU 4 HN LEU 4 -4.688 0.726 1.155
27 HA LEU 4 HA LEU 4 -6.012 1.272 3.714
28 HB2 LEU 4 HB2 LEU 4 -3.159 0.406 3.480
29 HB3 LEU 4 HB1 LEU 4 -4.300 0.120 4.779
30 HG LEU 4 HG LEU 4 -4.755 -1.161 2.109
31 HD11 LEU 4 HD11 LEU 4 -2.348 -1.485 3.219
32 HD12 LEU 4 HD12 LEU 4 -3.201 -2.781 2.381
33 HD13 LEU 4 HD13 LEU 4 -3.248 -2.688 4.142
34 HD21 LEU 4 HD21 LEU 4 -5.740 -2.910 3.578
35 HD22 LEU 4 HD22 LEU 4 -6.533 -1.341 3.710
36 HD23 LEU 4 HD23 LEU 4 -5.413 -1.871 4.964
37 H LEU 5 HN LEU 5 -5.455 2.960 5.024
38 HA LEU 5 HA LEU 5 -4.563 5.334 3.974
39 HB2 LEU 5 HB2 LEU 5 -5.609 4.667 6.318
40 HB3 LEU 5 HB1 LEU 5 -3.934 4.767 6.829
41 HG LEU 5 HG LEU 5 -5.469 7.003 5.502
42 HD11 LEU 5 HD11 LEU 5 -6.365 6.625 7.691
43 HD12 LEU 5 HD12 LEU 5 -5.337 8.057 7.748
44 HD13 LEU 5 HD13 LEU 5 -4.748 6.522 8.387
45 HD21 LEU 5 HD21 LEU 5 -2.651 6.669 6.410
46 HD22 LEU 5 HD22 LEU 5 -3.420 8.249 6.570
47 HD23 LEU 5 HD23 LEU 5 -3.289 7.488 4.984
48 H CYS 6 HN CYS 6 -2.669 6.040 3.259
49 HA CYS 6 HA CYS 6 -0.206 4.993 4.475
50 HB2 CYS 6 HB2 CYS 6 -0.696 3.850 2.290
51 HB3 CYS 6 HB1 CYS 6 -0.554 5.418 1.503
52 H GLN 7 HN GLN 7 1.679 6.371 4.145
53 HA GLN 7 HA GLN 7 0.922 9.192 3.749
54 HB2 GLN 7 HB2 GLN 7 3.179 8.252 5.508
55 HB3 GLN 7 HB1 GLN 7 2.434 9.844 5.456
56 HG2 GLN 7 HG2 GLN 7 0.289 8.553 6.178
57 HG3 GLN 7 HG1 GLN 7 1.442 7.327 6.704
58 HE21 GLN 7 HE21 GLN 7 -0.296 8.766 8.398
59 HE22 GLN 7 HE22 GLN 7 0.670 9.719 9.467
60 H THR 8 HN THR 8 3.398 6.743 3.261
61 HA THR 8 HA THR 8 4.736 8.557 1.363
62 HB THR 8 HB THR 8 6.130 7.954 3.314
63 HG1 THR 8 HG1 THR 8 7.790 7.895 2.040
64 HG21 THR 8 HG21 THR 8 6.998 5.400 2.825
65 HG22 THR 8 HG22 THR 8 5.247 5.266 2.666
66 HG23 THR 8 HG23 THR 8 5.951 5.906 4.151
67 H SER 9 HN SER 9 6.369 6.596 0.160
68 HA SER 9 HA SER 9 4.508 5.503 -1.724
69 HB2 SER 9 HB2 SER 9 7.505 5.463 -1.463
70 HB3 SER 9 HB1 SER 9 6.689 4.476 -2.675
71 HG SER 9 HG SER 9 7.321 7.016 -2.853
72 H ARG 10 HN ARG 10 6.241 4.304 1.041
73 HA ARG 10 HA ARG 10 4.840 1.766 0.783
74 HB2 ARG 10 HB2 ARG 10 6.980 0.533 1.363
75 HB3 ARG 10 HB1 ARG 10 6.861 1.148 -0.279
76 HG2 ARG 10 HG2 ARG 10 8.098 3.225 0.818
77 HG3 ARG 10 HG1 ARG 10 8.644 1.974 1.936
78 HD2 ARG 10 HD2 ARG 10 10.282 1.751 0.386
79 HD3 ARG 10 HD1 ARG 10 9.085 0.697 -0.365
80 HE ARG 10 HE ARG 10 8.892 3.441 -1.196
81 HH11 ARG 10 HH11 ARG 10 10.457 0.379 -1.785
82 HH12 ARG 10 HH12 ARG 10 10.826 0.743 -3.437
83 HH21 ARG 10 HH21 ARG 10 9.376 3.923 -3.369
84 HH22 ARG 10 HH22 ARG 10 10.213 2.755 -4.336
85 H ASP 11 HN ASP 11 3.811 3.166 2.538
86 HA ASP 11 HA ASP 11 5.242 2.975 5.088
87 HB2 ASP 11 HB2 ASP 11 3.963 5.090 4.196
88 HB3 ASP 11 HB1 ASP 11 2.543 4.243 4.803
89 H CYS 12 HN CYS 12 4.215 0.621 3.775
90 HA CYS 12 HA CYS 12 2.169 -0.199 5.730
91 HB2 CYS 12 HB2 CYS 12 2.348 -1.854 3.317
92 HB3 CYS 12 HB1 CYS 12 0.933 -1.187 4.121
93 H ASN 13 HN ASN 13 5.047 -1.131 3.936
94 HA ASN 13 HA ASN 13 6.688 -2.644 4.359
95 HB2 ASN 13 HB2 ASN 13 5.516 -2.140 7.021
96 HB3 ASN 13 HB1 ASN 13 6.431 -3.638 6.874
97 HD21 ASN 13 HD21 ASN 13 8.467 -3.450 7.417
98 HD22 ASN 13 HD22 ASN 13 9.450 -2.041 7.239
99 H TYR 14 HN TYR 14 3.761 -3.426 3.664
100 HA TYR 14 HA TYR 14 3.737 -6.206 4.525
101 HB2 TYR 14 HB2 TYR 14 1.796 -4.482 2.996
102 HB3 TYR 14 HB1 TYR 14 1.588 -6.226 3.116
103 HD1 TYR 14 HD1 TYR 14 1.697 -3.082 5.048
104 HD2 TYR 14 HD2 TYR 14 0.770 -7.233 5.115
105 HE1 TYR 14 HE1 TYR 14 0.570 -2.789 7.214
106 HE2 TYR 14 HE2 TYR 14 -0.361 -6.952 7.280
107 HH TYR 14 HH TYR 14 -1.168 -3.923 8.553
108 H ILE 15 HN ILE 15 3.174 -7.862 2.784
109 HA ILE 15 HA ILE 15 5.167 -7.615 0.678
110 HB ILE 15 HB ILE 15 5.094 -9.682 2.018
111 HG12 ILE 15 HG12 ILE 15 4.251 -10.552 -0.708
112 HG13 ILE 15 HG11 ILE 15 5.641 -9.479 -0.576
113 HG21 ILE 15 HG21 ILE 15 2.623 -9.690 2.338
114 HG22 ILE 15 HG22 ILE 15 3.295 -11.249 1.861
115 HG23 ILE 15 HG23 ILE 15 2.460 -10.249 0.673
116 HD11 ILE 15 HD11 ILE 15 5.968 -12.053 -0.593
117 HD12 ILE 15 HD12 ILE 15 5.516 -11.933 1.108
118 HD13 ILE 15 HD13 ILE 15 6.918 -11.051 0.503
119 H ILE 16 HN ILE 16 1.695 -8.308 0.979
120 HA ILE 16 HA ILE 16 1.361 -8.081 -1.904
121 HB ILE 16 HB ILE 16 -1.127 -8.440 -1.247
122 HG12 ILE 16 HG12 ILE 16 -1.542 -9.533 0.841
123 HG13 ILE 16 HG11 ILE 16 0.175 -9.596 1.224
124 HG21 ILE 16 HG21 ILE 16 0.414 -10.865 -0.592
125 HG22 ILE 16 HG22 ILE 16 0.811 -10.071 -2.116
126 HG23 ILE 16 HG23 ILE 16 -0.841 -10.605 -1.803
127 HD11 ILE 16 HD11 ILE 16 0.250 -7.381 1.827
128 HD12 ILE 16 HD12 ILE 16 -1.362 -7.850 2.364
129 HD13 ILE 16 HD13 ILE 16 -1.158 -6.963 0.855
130 H TRP 17 HN TRP 17 1.842 -5.825 0.264
131 HA TRP 17 HA TRP 17 0.152 -3.900 -1.106
132 HB2 TRP 17 HB2 TRP 17 -0.016 -4.470 1.847
133 HB3 TRP 17 HB1 TRP 17 -0.457 -2.899 1.190
134 HD1 TRP 17 HD1 TRP 17 -2.052 -3.783 -1.374
135 HE1 TRP 17 HE1 TRP 17 -4.323 -4.959 -1.142
136 HE3 TRP 17 HE3 TRP 17 -1.582 -5.519 3.408
137 HZ2 TRP 17 HZ2 TRP 17 -5.740 -6.424 0.812
138 HZ3 TRP 17 HZ3 TRP 17 -3.444 -6.794 4.389
139 HH2 TRP 17 HH2 TRP 17 -5.479 -7.238 3.116
140 H THR 18 HN THR 18 2.156 -3.165 -1.943
141 HA THR 18 HA THR 18 3.751 -1.642 0.008
142 HB THR 18 HB THR 18 5.062 -3.547 -0.676
143 HG1 THR 18 HG1 THR 18 6.405 -1.872 -0.518
144 HG21 THR 18 HG21 THR 18 3.908 -4.005 -2.821
145 HG22 THR 18 HG22 THR 18 5.668 -4.034 -2.931
146 HG23 THR 18 HG23 THR 18 4.769 -2.638 -3.526
147 H VAL 19 HN VAL 19 1.928 -1.562 -2.865
148 HA VAL 19 HA VAL 19 3.238 0.819 -3.903
149 HB VAL 19 HB VAL 19 0.732 -0.529 -4.917
150 HG11 VAL 19 HG11 VAL 19 2.439 1.711 -5.867
151 HG12 VAL 19 HG12 VAL 19 0.689 1.506 -5.953
152 HG13 VAL 19 HG13 VAL 19 1.736 0.632 -7.071
153 HG21 VAL 19 HG21 VAL 19 2.245 -1.523 -6.632
154 HG22 VAL 19 HG22 VAL 19 2.508 -2.137 -5.000
155 HG23 VAL 19 HG23 VAL 19 3.617 -0.949 -5.684
156 H CYS 20 HN CYS 20 2.845 2.542 -2.610
157 HA CYS 20 HA CYS 20 0.170 2.986 -1.576
158 HB2 CYS 20 HB2 CYS 20 2.846 4.233 -1.081
159 HB3 CYS 20 HB1 CYS 20 1.382 5.089 -0.610
160 H ARG 21 HN ARG 21 -1.267 4.357 -2.358
161 HA ARG 21 HA ARG 21 -0.474 6.059 -4.618
162 HB2 ARG 21 HB2 ARG 21 -2.449 4.203 -4.539
163 HB3 ARG 21 HB1 ARG 21 -3.346 5.630 -4.039
164 HG2 ARG 21 HG2 ARG 21 -2.233 6.726 -6.120
165 HG3 ARG 21 HG1 ARG 21 -1.999 5.055 -6.636
166 HD2 ARG 21 HD2 ARG 21 -4.487 4.742 -6.148
167 HD3 ARG 21 HD1 ARG 21 -4.573 6.502 -6.084
168 HE ARG 21 HE ARG 21 -4.521 6.515 -8.358
169 HH11 ARG 21 HH11 ARG 21 -3.114 3.516 -7.261
170 HH12 ARG 21 HH12 ARG 21 -2.912 2.881 -8.859
171 HH21 ARG 21 HH21 ARG 21 -4.256 5.681 -10.461
172 HH22 ARG 21 HH22 ARG 21 -3.560 4.110 -10.676
173 H ASP 22 HN ASP 22 -2.859 7.688 -4.482
174 HA ASP 22 HA ASP 22 -1.986 9.802 -2.938
175 HB2 ASP 22 HB2 ASP 22 -3.928 9.557 -4.747
176 HB3 ASP 22 HB1 ASP 22 -4.927 9.489 -3.299
177 H GLY 23 HN GLY 23 -1.374 9.089 -0.881
178 HA2 GLY 23 HA2 GLY 23 -1.658 8.742 1.367
179 HA3 GLY 23 HA1 GLY 23 -3.280 9.382 1.156
180 H CYS 24 HN CYS 24 -2.247 6.554 -0.602
181 HA CYS 24 HA CYS 24 -3.710 4.839 1.282
182 HB2 CYS 24 HB2 CYS 24 -4.651 5.626 -1.271
183 HB3 CYS 24 HB1 CYS 24 -4.194 3.931 -1.394
184 H CYS 25 HN CYS 25 -3.447 2.465 0.635
185 HA CYS 25 HA CYS 25 -0.782 1.924 -0.471
186 HB2 CYS 25 HB2 CYS 25 -0.463 1.938 1.924
187 HB3 CYS 25 HB1 CYS 25 -1.867 0.906 2.159
188 H ASN 26 HN ASN 26 -0.696 0.192 -1.782
189 HA ASN 26 HA ASN 26 -2.684 -1.906 -1.627
190 HB2 ASN 26 HB2 ASN 26 -3.460 -1.632 -3.936
191 HB3 ASN 26 HB1 ASN 26 -3.829 -0.201 -2.979
192 HD21 ASN 26 HD21 ASN 26 -3.171 1.710 -3.696
193 HD22 ASN 26 HD22 ASN 26 -2.083 1.964 -5.013
194 H ILE 27 HN ILE 27 -2.316 -3.226 -3.925
195 HA ILE 27 HA ILE 27 0.458 -4.072 -3.718
196 HB ILE 27 HB ILE 27 -1.326 -5.767 -3.677
197 HG12 ILE 27 HG12 ILE 27 -0.322 -6.894 -5.994
198 HG13 ILE 27 HG11 ILE 27 0.925 -5.734 -5.548
199 HG21 ILE 27 HG21 ILE 27 -1.859 -5.598 -6.561
200 HG22 ILE 27 HG22 ILE 27 -2.547 -4.295 -5.591
201 HG23 ILE 27 HG23 ILE 27 -2.944 -5.973 -5.222
202 HD11 ILE 27 HD11 ILE 27 1.145 -8.103 -4.661
203 HD12 ILE 27 HD12 ILE 27 -0.183 -7.696 -3.574
204 HD13 ILE 27 HD13 ILE 27 1.326 -6.786 -3.502
205 H SER 28 HN SER 28 -1.701 -2.532 -5.997
206 HA SER 28 HA SER 28 0.489 -1.582 -7.567
207 HB2 SER 28 HB2 SER 28 -1.429 -3.371 -9.054
208 HB3 SER 28 HB1 SER 28 0.112 -2.715 -9.607
209 HG SER 28 HG SER 28 -0.371 -5.022 -8.337
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