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 |
|
|
605400 |
2n5q   |
25725 | 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 6.922 8.195 4.298
2 H2 GLN 1 HT2 GLN 1 6.268 7.606 5.772
3 H3 GLN 1 HT3 GLN 1 5.325 7.572 4.338
4 HA GLN 1 HA GLN 1 6.583 5.919 3.394
5 HB2 GLN 1 HB2 GLN 1 8.756 6.898 3.979
6 HB3 GLN 1 HB1 GLN 1 8.538 6.405 5.653
7 HG2 GLN 1 HG2 GLN 1 8.306 4.226 3.714
8 HG3 GLN 1 HG1 GLN 1 9.892 4.995 3.769
9 HE21 GLN 1 HE21 GLN 1 9.143 2.317 4.575
10 HE22 GLN 1 HE22 GLN 1 9.556 2.174 6.246
11 H LEU 2 HN LEU 2 4.536 5.053 4.152
12 HA LEU 2 HA LEU 2 4.732 3.545 6.668
13 HB2 LEU 2 HB2 LEU 2 2.427 4.623 5.090
14 HB3 LEU 2 HB1 LEU 2 2.180 3.257 6.162
15 HG LEU 2 HG LEU 2 1.567 5.249 7.336
16 HD11 LEU 2 HD11 LEU 2 2.789 4.966 9.292
17 HD12 LEU 2 HD12 LEU 2 4.285 4.624 8.424
18 HD13 LEU 2 HD13 LEU 2 2.993 3.425 8.459
19 HD21 LEU 2 HD21 LEU 2 2.669 7.219 7.289
20 HD22 LEU 2 HD22 LEU 2 3.323 6.565 5.788
21 HD23 LEU 2 HD23 LEU 2 4.258 6.455 7.279
22 H CYS 3 HN CYS 3 6.100 1.965 5.569
23 HA CYS 3 HA CYS 3 5.251 0.455 3.358
24 HB2 CYS 3 HB2 CYS 3 7.540 0.571 4.831
25 HB3 CYS 3 HB1 CYS 3 6.880 -0.974 5.358
26 H LEU 4 HN LEU 4 3.046 -0.001 3.721
27 HA LEU 4 HA LEU 4 2.340 -1.756 5.932
28 HB2 LEU 4 HB2 LEU 4 0.969 0.119 4.267
29 HB3 LEU 4 HB1 LEU 4 0.189 -1.441 4.104
30 HG LEU 4 HG LEU 4 0.464 -1.256 6.818
31 HD11 LEU 4 HD11 LEU 4 -0.619 1.418 6.228
32 HD12 LEU 4 HD12 LEU 4 1.131 1.248 6.086
33 HD13 LEU 4 HD13 LEU 4 0.327 0.850 7.604
34 HD21 LEU 4 HD21 LEU 4 -1.817 -0.367 5.061
35 HD22 LEU 4 HD22 LEU 4 -1.947 -0.676 6.793
36 HD23 LEU 4 HD23 LEU 4 -1.528 -1.988 5.692
37 H GLN 5 HN GLN 5 2.956 -3.824 5.643
38 HA GLN 5 HA GLN 5 3.606 -5.254 3.481
39 HB2 GLN 5 HB2 GLN 5 2.580 -5.895 6.091
40 HB3 GLN 5 HB1 GLN 5 1.959 -7.042 4.910
41 HG2 GLN 5 HG2 GLN 5 4.033 -7.876 4.421
42 HG3 GLN 5 HG1 GLN 5 4.861 -6.392 4.890
43 HE21 GLN 5 HE21 GLN 5 4.694 -5.866 7.260
44 HE22 GLN 5 HE22 GLN 5 4.875 -7.181 8.366
45 H CYS 6 HN CYS 6 2.697 -5.308 1.527
46 HA CYS 6 HA CYS 6 -0.223 -5.407 1.317
47 HB2 CYS 6 HB2 CYS 6 0.045 -4.690 -0.973
48 HB3 CYS 6 HB1 CYS 6 1.004 -3.638 0.060
49 H ARG 7 HN ARG 7 -0.897 -6.676 -0.806
50 HA ARG 7 HA ARG 7 0.553 -9.226 -0.839
51 HB2 ARG 7 HB2 ARG 7 -2.315 -8.730 -0.224
52 HB3 ARG 7 HB1 ARG 7 -1.916 -10.166 -1.156
53 HG2 ARG 7 HG2 ARG 7 -0.124 -10.412 0.819
54 HG3 ARG 7 HG1 ARG 7 -1.393 -9.535 1.676
55 HD2 ARG 7 HD2 ARG 7 -2.059 -11.929 0.007
56 HD3 ARG 7 HD1 ARG 7 -1.434 -12.129 1.643
57 HE ARG 7 HE ARG 7 -4.063 -11.306 0.900
58 HH11 ARG 7 HH11 ARG 7 -1.607 -10.962 3.355
59 HH12 ARG 7 HH12 ARG 7 -2.738 -10.582 4.610
60 HH21 ARG 7 HH21 ARG 7 -5.552 -10.807 2.549
61 HH22 ARG 7 HH22 ARG 7 -4.977 -10.495 4.153
62 H SER 8 HN SER 8 -2.364 -7.956 -2.416
63 HA SER 8 HA SER 8 -1.330 -8.896 -4.978
64 HB2 SER 8 HB2 SER 8 -4.048 -8.090 -3.989
65 HB3 SER 8 HB1 SER 8 -3.717 -8.150 -5.720
66 HG SER 8 HG SER 8 -4.262 -10.178 -5.406
67 H ASN 9 HN ASN 9 -3.445 -6.101 -4.506
68 HA ASN 9 HA ASN 9 -1.365 -4.378 -5.655
69 HB2 ASN 9 HB2 ASN 9 -2.959 -5.124 -7.428
70 HB3 ASN 9 HB1 ASN 9 -4.257 -4.348 -6.527
71 HD21 ASN 9 HD21 ASN 9 -4.000 -2.024 -6.107
72 HD22 ASN 9 HD22 ASN 9 -3.242 -1.052 -7.318
73 H SER 10 HN SER 10 -4.490 -4.524 -4.010
74 HA SER 10 HA SER 10 -3.709 -2.162 -2.465
75 HB2 SER 10 HB2 SER 10 -5.799 -1.079 -2.754
76 HB3 SER 10 HB1 SER 10 -5.318 -1.589 -4.372
77 HG SER 10 HG SER 10 -7.468 -2.141 -4.020
78 H ASP 11 HN ASP 11 -3.420 -4.722 -1.566
79 HA ASP 11 HA ASP 11 -5.727 -5.565 -0.073
80 HB2 ASP 11 HB2 ASP 11 -2.926 -6.521 -0.413
81 HB3 ASP 11 HB1 ASP 11 -3.791 -7.022 1.037
82 H CYS 12 HN CYS 12 -5.545 -3.074 0.688
83 HA CYS 12 HA CYS 12 -4.667 -3.259 3.457
84 HB2 CYS 12 HB2 CYS 12 -3.502 -1.434 1.430
85 HB3 CYS 12 HB1 CYS 12 -3.836 -0.747 3.016
86 H ASN 13 HN ASN 13 -5.563 -0.401 1.581
87 HA ASN 13 HA ASN 13 -8.287 -0.429 2.480
88 HB2 ASN 13 HB2 ASN 13 -8.183 1.566 3.877
89 HB3 ASN 13 HB1 ASN 13 -7.130 0.317 4.533
90 HD21 ASN 13 HD21 ASN 13 -6.410 2.430 5.589
91 HD22 ASN 13 HD22 ASN 13 -5.101 3.249 4.815
92 H ILE 14 HN ILE 14 -9.066 2.111 2.176
93 HA ILE 14 HA ILE 14 -8.933 2.503 -0.629
94 HB ILE 14 HB ILE 14 -9.919 4.501 1.403
95 HG12 ILE 14 HG12 ILE 14 -12.154 3.231 0.492
96 HG13 ILE 14 HG11 ILE 14 -11.009 1.895 0.554
97 HG21 ILE 14 HG21 ILE 14 -11.380 5.231 -0.422
98 HG22 ILE 14 HG22 ILE 14 -10.641 4.035 -1.487
99 HG23 ILE 14 HG23 ILE 14 -9.676 5.369 -0.856
100 HD11 ILE 14 HD11 ILE 14 -12.525 2.672 2.625
101 HD12 ILE 14 HD12 ILE 14 -11.074 3.628 2.928
102 HD13 ILE 14 HD13 ILE 14 -10.963 1.873 2.798
103 H ILE 15 HN ILE 15 -6.973 3.605 1.961
104 HA ILE 15 HA ILE 15 -5.983 5.967 0.647
105 HB ILE 15 HB ILE 15 -4.416 4.655 2.811
106 HG12 ILE 15 HG12 ILE 15 -7.051 6.073 3.262
107 HG13 ILE 15 HG11 ILE 15 -6.710 4.381 3.602
108 HG21 ILE 15 HG21 ILE 15 -4.982 7.417 3.219
109 HG22 ILE 15 HG22 ILE 15 -4.510 7.175 1.538
110 HG23 ILE 15 HG23 ILE 15 -3.444 6.644 2.840
111 HD11 ILE 15 HD11 ILE 15 -6.019 6.796 5.129
112 HD12 ILE 15 HD12 ILE 15 -4.791 5.531 5.075
113 HD13 ILE 15 HD13 ILE 15 -6.406 5.167 5.683
114 H TRP 16 HN TRP 16 -4.417 2.951 1.628
115 HA TRP 16 HA TRP 16 -2.394 3.355 -0.435
116 HB2 TRP 16 HB2 TRP 16 -2.442 1.276 1.757
117 HB3 TRP 16 HB1 TRP 16 -1.054 1.787 0.791
118 HD1 TRP 16 HD1 TRP 16 -0.591 4.592 1.053
119 HE1 TRP 16 HE1 TRP 16 -0.497 5.951 3.230
120 HE3 TRP 16 HE3 TRP 16 -3.117 1.388 4.085
121 HZ2 TRP 16 HZ2 TRP 16 -1.370 5.682 5.907
122 HZ3 TRP 16 HZ3 TRP 16 -3.458 2.001 6.446
123 HH2 TRP 16 HH2 TRP 16 -2.600 4.104 7.335
124 H ARG 17 HN ARG 17 -2.996 2.619 -2.346
125 HA ARG 17 HA ARG 17 -4.049 -0.130 -2.494
126 HB2 ARG 17 HB2 ARG 17 -5.139 0.671 -4.665
127 HB3 ARG 17 HB1 ARG 17 -5.861 1.205 -3.154
128 HG2 ARG 17 HG2 ARG 17 -5.008 3.377 -3.385
129 HG3 ARG 17 HG1 ARG 17 -3.871 2.884 -4.643
130 HD2 ARG 17 HD2 ARG 17 -6.208 2.169 -5.788
131 HD3 ARG 17 HD1 ARG 17 -6.738 3.547 -4.824
132 HE ARG 17 HE ARG 17 -4.388 4.175 -6.282
133 HH11 ARG 17 HH11 ARG 17 -7.829 3.737 -6.658
134 HH12 ARG 17 HH12 ARG 17 -7.941 4.794 -8.025
135 HH21 ARG 17 HH21 ARG 17 -4.532 5.565 -8.080
136 HH22 ARG 17 HH22 ARG 17 -6.069 5.832 -8.833
137 H ILE 18 HN ILE 18 -1.289 1.359 -2.855
138 HA ILE 18 HA ILE 18 -0.654 0.144 -5.461
139 HB ILE 18 HB ILE 18 0.850 2.314 -3.987
140 HG12 ILE 18 HG12 ILE 18 -1.170 3.253 -4.854
141 HG13 ILE 18 HG11 ILE 18 0.120 3.704 -5.962
142 HG21 ILE 18 HG21 ILE 18 1.363 0.867 -6.564
143 HG22 ILE 18 HG22 ILE 18 2.461 1.145 -5.212
144 HG23 ILE 18 HG23 ILE 18 2.007 2.482 -6.269
145 HD11 ILE 18 HD11 ILE 18 -1.839 3.070 -7.200
146 HD12 ILE 18 HD12 ILE 18 -1.903 1.517 -6.367
147 HD13 ILE 18 HD13 ILE 18 -0.567 1.877 -7.460
148 H CYS 19 HN CYS 19 -0.424 -1.933 -4.525
149 HA CYS 19 HA CYS 19 1.248 -2.511 -2.349
150 HB2 CYS 19 HB2 CYS 19 -0.354 -4.150 -3.035
151 HB3 CYS 19 HB1 CYS 19 0.300 -4.198 -4.667
152 H ARG 20 HN ARG 20 3.089 -1.162 -2.801
153 HA ARG 20 HA ARG 20 4.807 -1.823 -5.019
154 HB2 ARG 20 HB2 ARG 20 4.489 0.444 -3.622
155 HB3 ARG 20 HB1 ARG 20 5.833 -0.240 -2.718
156 HG2 ARG 20 HG2 ARG 20 6.819 -0.566 -5.154
157 HG3 ARG 20 HG1 ARG 20 5.730 0.780 -5.499
158 HD2 ARG 20 HD2 ARG 20 6.874 1.695 -3.253
159 HD3 ARG 20 HD1 ARG 20 8.190 0.690 -3.859
160 HE ARG 20 HE ARG 20 7.378 3.207 -4.875
161 HH11 ARG 20 HH11 ARG 20 8.573 0.090 -5.894
162 HH12 ARG 20 HH12 ARG 20 9.318 0.706 -7.330
163 HH21 ARG 20 HH21 ARG 20 8.358 4.018 -6.764
164 HH22 ARG 20 HH22 ARG 20 9.197 2.936 -7.824
165 H ASP 21 HN ASP 21 7.308 -1.595 -3.508
166 HA ASP 21 HA ASP 21 8.167 -4.115 -3.259
167 HB2 ASP 21 HB2 ASP 21 8.896 -1.673 -1.682
168 HB3 ASP 21 HB1 ASP 21 9.677 -3.213 -1.337
169 H GLY 22 HN GLY 22 6.132 -5.185 -2.523
170 HA2 GLY 22 HA2 GLY 22 5.002 -6.435 -0.972
171 HA3 GLY 22 HA1 GLY 22 6.462 -6.335 -0.002
172 H CYS 23 HN CYS 23 4.928 -3.360 -0.858
173 HA CYS 23 HA CYS 23 3.531 -3.279 1.719
174 HB2 CYS 23 HB2 CYS 23 5.541 -1.234 0.773
175 HB3 CYS 23 HB1 CYS 23 4.447 -0.990 2.130
176 H CYS 24 HN CYS 24 2.051 -1.423 1.919
177 HA CYS 24 HA CYS 24 0.718 -0.942 -0.630
178 HB2 CYS 24 HB2 CYS 24 -0.214 -0.277 2.171
179 HB3 CYS 24 HB1 CYS 24 -1.183 -0.206 0.704
180 H ASN 25 HN ASN 25 0.809 0.948 -1.669
181 HA ASN 25 HA ASN 25 1.832 3.275 -0.171
182 HB2 ASN 25 HB2 ASN 25 2.319 2.490 -3.044
183 HB3 ASN 25 HB1 ASN 25 2.738 4.064 -2.386
184 HD21 ASN 25 HD21 ASN 25 3.154 0.619 -1.742
185 HD22 ASN 25 HD22 ASN 25 4.790 0.736 -1.213
186 H VAL 26 HN VAL 26 1.040 5.322 -0.702
187 HA VAL 26 HA VAL 26 -1.731 5.277 -1.589
188 HB VAL 26 HB VAL 26 -1.147 7.925 -0.985
189 HG11 VAL 26 HG11 VAL 26 -2.291 7.309 1.225
190 HG12 VAL 26 HG12 VAL 26 -2.397 5.685 0.546
191 HG13 VAL 26 HG13 VAL 26 -3.164 7.038 -0.283
192 HG21 VAL 26 HG21 VAL 26 1.060 7.176 -0.096
193 HG22 VAL 26 HG22 VAL 26 0.197 6.218 1.105
194 HG23 VAL 26 HG23 VAL 26 0.033 7.971 1.095
195 H ILE 27 HN ILE 27 1.197 5.694 -3.078
196 HA ILE 27 HA ILE 27 0.457 7.892 -4.800
197 HB ILE 27 HB ILE 27 2.797 7.556 -4.136
198 HG12 ILE 27 HG12 ILE 27 2.844 7.059 -7.072
199 HG13 ILE 27 HG11 ILE 27 1.906 8.434 -6.499
200 HG21 ILE 27 HG21 ILE 27 3.503 5.440 -4.029
201 HG22 ILE 27 HG22 ILE 27 3.792 5.586 -5.762
202 HG23 ILE 27 HG23 ILE 27 2.287 4.880 -5.176
203 HD11 ILE 27 HD11 ILE 27 3.744 9.594 -5.858
204 HD12 ILE 27 HD12 ILE 27 4.460 8.630 -7.150
205 HD13 ILE 27 HD13 ILE 27 4.664 8.141 -5.468
Start of MODEL 2
1 H1 GLN 1 HT1 GLN 1 8.341 6.806 5.360
2 H2 GLN 1 HT2 GLN 1 7.186 7.618 6.335
3 H3 GLN 1 HT3 GLN 1 7.628 8.262 4.807
4 HA GLN 1 HA GLN 1 5.605 7.298 4.443
5 HB2 GLN 1 HB2 GLN 1 7.824 6.494 3.133
6 HB3 GLN 1 HB1 GLN 1 7.239 4.937 3.701
7 HG2 GLN 1 HG2 GLN 1 4.966 6.065 2.701
8 HG3 GLN 1 HG1 GLN 1 6.203 6.687 1.609
9 HE21 GLN 1 HE21 GLN 1 6.187 5.509 -0.164
10 HE22 GLN 1 HE22 GLN 1 6.125 3.784 -0.241
11 H LEU 2 HN LEU 2 4.785 4.737 4.184
12 HA LEU 2 HA LEU 2 5.017 3.468 6.810
13 HB2 LEU 2 HB2 LEU 2 2.935 5.111 6.374
14 HB3 LEU 2 HB1 LEU 2 2.278 3.637 5.689
15 HG LEU 2 HG LEU 2 2.994 2.561 7.951
16 HD11 LEU 2 HD11 LEU 2 4.057 4.975 8.453
17 HD12 LEU 2 HD12 LEU 2 3.485 3.881 9.712
18 HD13 LEU 2 HD13 LEU 2 2.454 5.198 9.154
19 HD21 LEU 2 HD21 LEU 2 0.643 3.382 6.948
20 HD22 LEU 2 HD22 LEU 2 0.726 4.398 8.387
21 HD23 LEU 2 HD23 LEU 2 0.815 2.643 8.540
22 H CYS 3 HN CYS 3 6.211 1.868 5.653
23 HA CYS 3 HA CYS 3 5.265 0.490 3.403
24 HB2 CYS 3 HB2 CYS 3 7.562 0.420 4.914
25 HB3 CYS 3 HB1 CYS 3 6.837 -1.147 5.261
26 H LEU 4 HN LEU 4 3.063 0.069 3.733
27 HA LEU 4 HA LEU 4 2.274 -1.685 5.906
28 HB2 LEU 4 HB2 LEU 4 0.979 0.195 4.179
29 HB3 LEU 4 HB1 LEU 4 0.171 -1.353 4.037
30 HG LEU 4 HG LEU 4 0.428 -1.088 6.758
31 HD11 LEU 4 HD11 LEU 4 -0.575 1.583 5.908
32 HD12 LEU 4 HD12 LEU 4 1.163 1.340 6.088
33 HD13 LEU 4 HD13 LEU 4 0.087 1.066 7.458
34 HD21 LEU 4 HD21 LEU 4 -1.987 -0.532 6.687
35 HD22 LEU 4 HD22 LEU 4 -1.544 -1.881 5.641
36 HD23 LEU 4 HD23 LEU 4 -1.842 -0.287 4.945
37 H GLN 5 HN GLN 5 2.957 -3.737 5.616
38 HA GLN 5 HA GLN 5 3.599 -5.179 3.460
39 HB2 GLN 5 HB2 GLN 5 2.534 -7.198 4.642
40 HB3 GLN 5 HB1 GLN 5 3.771 -6.296 5.506
41 HG2 GLN 5 HG2 GLN 5 1.668 -4.989 6.423
42 HG3 GLN 5 HG1 GLN 5 0.860 -6.502 6.022
43 HE21 GLN 5 HE21 GLN 5 4.030 -5.669 7.384
44 HE22 GLN 5 HE22 GLN 5 3.888 -6.680 8.779
45 H CYS 6 HN CYS 6 2.677 -5.282 1.523
46 HA CYS 6 HA CYS 6 -0.245 -5.401 1.335
47 HB2 CYS 6 HB2 CYS 6 0.005 -4.720 -0.969
48 HB3 CYS 6 HB1 CYS 6 0.959 -3.644 0.045
49 H ARG 7 HN ARG 7 -0.849 -6.670 -0.859
50 HA ARG 7 HA ARG 7 0.581 -9.227 -0.830
51 HB2 ARG 7 HB2 ARG 7 -2.290 -8.735 -0.227
52 HB3 ARG 7 HB1 ARG 7 -1.884 -10.178 -1.147
53 HG2 ARG 7 HG2 ARG 7 -0.405 -10.920 0.632
54 HG3 ARG 7 HG1 ARG 7 -0.751 -9.452 1.548
55 HD2 ARG 7 HD2 ARG 7 -3.256 -10.350 1.102
56 HD3 ARG 7 HD1 ARG 7 -2.379 -11.878 1.161
57 HE ARG 7 HE ARG 7 -1.758 -10.108 3.337
58 HH11 ARG 7 HH11 ARG 7 -3.945 -12.575 2.193
59 HH12 ARG 7 HH12 ARG 7 -4.427 -13.061 3.783
60 HH21 ARG 7 HH21 ARG 7 -2.391 -10.745 5.429
61 HH22 ARG 7 HH22 ARG 7 -3.546 -12.022 5.621
62 H SER 8 HN SER 8 -2.327 -7.959 -2.427
63 HA SER 8 HA SER 8 -1.282 -8.917 -4.979
64 HB2 SER 8 HB2 SER 8 -3.504 -9.640 -4.639
65 HB3 SER 8 HB1 SER 8 -4.020 -8.054 -4.065
66 HG SER 8 HG SER 8 -4.110 -8.997 -6.532
67 H ASN 9 HN ASN 9 -3.433 -6.145 -4.543
68 HA ASN 9 HA ASN 9 -1.368 -4.412 -5.709
69 HB2 ASN 9 HB2 ASN 9 -2.997 -5.172 -7.450
70 HB3 ASN 9 HB1 ASN 9 -4.274 -4.380 -6.532
71 HD21 ASN 9 HD21 ASN 9 -3.981 -2.053 -6.126
72 HD22 ASN 9 HD22 ASN 9 -3.243 -1.096 -7.360
73 H SER 10 HN SER 10 -4.491 -4.540 -4.056
74 HA SER 10 HA SER 10 -3.686 -2.190 -2.501
75 HB2 SER 10 HB2 SER 10 -5.788 -1.110 -2.764
76 HB3 SER 10 HB1 SER 10 -5.294 -1.588 -4.388
77 HG SER 10 HG SER 10 -7.281 -2.695 -2.734
78 H ASP 11 HN ASP 11 -3.380 -4.724 -1.584
79 HA ASP 11 HA ASP 11 -5.683 -5.594 -0.101
80 HB2 ASP 11 HB2 ASP 11 -3.574 -6.942 -1.000
81 HB3 ASP 11 HB1 ASP 11 -2.941 -6.539 0.593
82 H CYS 12 HN CYS 12 -5.542 -3.091 0.644
83 HA CYS 12 HA CYS 12 -4.677 -3.250 3.420
84 HB2 CYS 12 HB2 CYS 12 -3.548 -1.404 1.390
85 HB3 CYS 12 HB1 CYS 12 -3.896 -0.722 2.976
86 H ASN 13 HN ASN 13 -5.557 -0.310 1.691
87 HA ASN 13 HA ASN 13 -8.315 -0.451 2.546
88 HB2 ASN 13 HB2 ASN 13 -7.077 2.043 3.507
89 HB3 ASN 13 HB1 ASN 13 -8.304 1.031 4.259
90 HD21 ASN 13 HD21 ASN 13 -5.111 2.029 4.333
91 HD22 ASN 13 HD22 ASN 13 -4.505 0.880 5.471
92 H ILE 14 HN ILE 14 -9.007 2.204 2.314
93 HA ILE 14 HA ILE 14 -8.978 2.545 -0.522
94 HB ILE 14 HB ILE 14 -9.908 4.592 1.483
95 HG12 ILE 14 HG12 ILE 14 -12.174 3.262 0.754
96 HG13 ILE 14 HG11 ILE 14 -11.015 1.937 0.823
97 HG21 ILE 14 HG21 ILE 14 -9.771 4.666 -1.262
98 HG22 ILE 14 HG22 ILE 14 -10.806 5.674 -0.251
99 HG23 ILE 14 HG23 ILE 14 -11.441 4.189 -0.959
100 HD11 ILE 14 HD11 ILE 14 -10.959 1.966 3.048
101 HD12 ILE 14 HD12 ILE 14 -12.431 2.931 2.933
102 HD13 ILE 14 HD13 ILE 14 -10.867 3.726 3.117
103 H ILE 15 HN ILE 15 -6.907 3.561 1.989
104 HA ILE 15 HA ILE 15 -5.952 5.955 0.686
105 HB ILE 15 HB ILE 15 -4.240 4.691 2.733
106 HG12 ILE 15 HG12 ILE 15 -6.999 5.748 3.388
107 HG13 ILE 15 HG11 ILE 15 -6.385 4.128 3.696
108 HG21 ILE 15 HG21 ILE 15 -3.572 6.800 3.077
109 HG22 ILE 15 HG22 ILE 15 -5.220 7.427 3.086
110 HG23 ILE 15 HG23 ILE 15 -4.396 7.137 1.554
111 HD11 ILE 15 HD11 ILE 15 -5.838 6.667 5.135
112 HD12 ILE 15 HD12 ILE 15 -4.598 5.413 5.113
113 HD13 ILE 15 HD13 ILE 15 -6.197 5.061 5.768
114 H TRP 16 HN TRP 16 -4.306 2.984 1.656
115 HA TRP 16 HA TRP 16 -2.387 3.366 -0.503
116 HB2 TRP 16 HB2 TRP 16 -2.314 1.332 1.730
117 HB3 TRP 16 HB1 TRP 16 -0.974 1.853 0.705
118 HD1 TRP 16 HD1 TRP 16 -0.476 4.633 0.923
119 HE1 TRP 16 HE1 TRP 16 -0.361 6.046 3.063
120 HE3 TRP 16 HE3 TRP 16 -3.012 1.530 4.055
121 HZ2 TRP 16 HZ2 TRP 16 -1.216 5.854 5.750
122 HZ3 TRP 16 HZ3 TRP 16 -3.329 2.208 6.402
123 HH2 TRP 16 HH2 TRP 16 -2.446 4.327 7.230
124 H ARG 17 HN ARG 17 -3.020 2.570 -2.376
125 HA ARG 17 HA ARG 17 -4.040 -0.194 -2.432
126 HB2 ARG 17 HB2 ARG 17 -5.291 0.457 -4.494
127 HB3 ARG 17 HB1 ARG 17 -5.857 1.248 -3.030
128 HG2 ARG 17 HG2 ARG 17 -4.436 3.223 -3.684
129 HG3 ARG 17 HG1 ARG 17 -4.199 2.428 -5.241
130 HD2 ARG 17 HD2 ARG 17 -6.039 3.581 -5.832
131 HD3 ARG 17 HD1 ARG 17 -6.888 2.274 -5.008
132 HE ARG 17 HE ARG 17 -6.418 4.043 -3.021
133 HH11 ARG 17 HH11 ARG 17 -7.850 4.349 -6.189
134 HH12 ARG 17 HH12 ARG 17 -8.902 5.644 -5.726
135 HH21 ARG 17 HH21 ARG 17 -7.801 5.747 -2.410
136 HH22 ARG 17 HH22 ARG 17 -8.874 6.439 -3.581
137 H ILE 18 HN ILE 18 -1.317 1.328 -2.898
138 HA ILE 18 HA ILE 18 -0.724 0.086 -5.500
139 HB ILE 18 HB ILE 18 0.732 2.314 -4.063
140 HG12 ILE 18 HG12 ILE 18 0.056 3.419 -6.372
141 HG13 ILE 18 HG11 ILE 18 -1.207 2.193 -6.338
142 HG21 ILE 18 HG21 ILE 18 1.410 0.716 -6.498
143 HG22 ILE 18 HG22 ILE 18 2.448 1.226 -5.166
144 HG23 ILE 18 HG23 ILE 18 1.924 2.399 -6.373
145 HD11 ILE 18 HD11 ILE 18 -0.716 4.335 -4.286
146 HD12 ILE 18 HD12 ILE 18 -1.914 3.050 -4.131
147 HD13 ILE 18 HD13 ILE 18 -2.056 4.236 -5.428
148 H CYS 19 HN CYS 19 -0.485 -1.981 -4.526
149 HA CYS 19 HA CYS 19 1.223 -2.539 -2.379
150 HB2 CYS 19 HB2 CYS 19 -0.392 -4.180 -3.036
151 HB3 CYS 19 HB1 CYS 19 0.253 -4.251 -4.671
152 H ARG 20 HN ARG 20 3.059 -1.190 -2.875
153 HA ARG 20 HA ARG 20 4.755 -1.903 -5.098
154 HB2 ARG 20 HB2 ARG 20 4.453 0.402 -3.775
155 HB3 ARG 20 HB1 ARG 20 5.787 -0.258 -2.838
156 HG2 ARG 20 HG2 ARG 20 7.020 0.802 -4.393
157 HG3 ARG 20 HG1 ARG 20 6.726 -0.672 -5.317
158 HD2 ARG 20 HD2 ARG 20 5.229 0.337 -6.714
159 HD3 ARG 20 HD1 ARG 20 4.709 1.498 -5.494
160 HE ARG 20 HE ARG 20 6.686 1.912 -7.463
161 HH11 ARG 20 HH11 ARG 20 6.033 2.568 -4.098
162 HH12 ARG 20 HH12 ARG 20 7.003 4.001 -4.060
163 HH21 ARG 20 HH21 ARG 20 7.962 3.797 -7.415
164 HH22 ARG 20 HH22 ARG 20 8.098 4.700 -5.943
165 H ASP 21 HN ASP 21 7.269 -1.637 -3.596
166 HA ASP 21 HA ASP 21 8.132 -4.149 -3.300
167 HB2 ASP 21 HB2 ASP 21 9.370 -1.911 -2.913
168 HB3 ASP 21 HB1 ASP 21 8.949 -2.145 -1.219
169 H GLY 22 HN GLY 22 6.099 -5.212 -2.549
170 HA2 GLY 22 HA2 GLY 22 4.964 -6.434 -0.979
171 HA3 GLY 22 HA1 GLY 22 6.429 -6.328 -0.015
172 H CYS 23 HN CYS 23 4.891 -3.361 -0.904
173 HA CYS 23 HA CYS 23 3.503 -3.245 1.678
174 HB2 CYS 23 HB2 CYS 23 5.469 -1.163 0.708
175 HB3 CYS 23 HB1 CYS 23 4.438 -1.001 2.126
176 H CYS 24 HN CYS 24 2.016 -1.401 1.860
177 HA CYS 24 HA CYS 24 0.689 -0.937 -0.693
178 HB2 CYS 24 HB2 CYS 24 -0.239 -0.235 2.101
179 HB3 CYS 24 HB1 CYS 24 -1.208 -0.175 0.633
180 H ASN 25 HN ASN 25 0.804 0.929 -1.757
181 HA ASN 25 HA ASN 25 1.845 3.274 -0.303
182 HB2 ASN 25 HB2 ASN 25 2.248 2.468 -3.184
183 HB3 ASN 25 HB1 ASN 25 2.709 4.036 -2.537
184 HD21 ASN 25 HD21 ASN 25 3.087 0.585 -1.896
185 HD22 ASN 25 HD22 ASN 25 4.739 0.676 -1.415
186 H VAL 26 HN VAL 26 1.016 5.318 -0.822
187 HA VAL 26 HA VAL 26 -1.763 5.235 -1.686
188 HB VAL 26 HB VAL 26 -1.296 7.878 -1.096
189 HG11 VAL 26 HG11 VAL 26 -2.381 5.559 0.399
190 HG12 VAL 26 HG12 VAL 26 -3.192 7.010 -0.188
191 HG13 VAL 26 HG13 VAL 26 -2.180 7.086 1.255
192 HG21 VAL 26 HG21 VAL 26 0.046 8.087 0.835
193 HG22 VAL 26 HG22 VAL 26 1.021 7.198 -0.332
194 HG23 VAL 26 HG23 VAL 26 0.232 6.342 0.992
195 H ILE 27 HN ILE 27 1.156 5.680 -3.182
196 HA ILE 27 HA ILE 27 0.288 7.789 -4.986
197 HB ILE 27 HB ILE 27 2.611 7.801 -4.253
198 HG12 ILE 27 HG12 ILE 27 3.684 8.023 -6.442
199 HG13 ILE 27 HG11 ILE 27 2.384 7.101 -7.190
200 HG21 ILE 27 HG21 ILE 27 3.923 6.005 -4.172
201 HG22 ILE 27 HG22 ILE 27 3.548 5.556 -5.835
202 HG23 ILE 27 HG23 ILE 27 2.479 5.056 -4.524
203 HD11 ILE 27 HD11 ILE 27 2.373 9.668 -7.366
204 HD12 ILE 27 HD12 ILE 27 1.788 9.620 -5.703
205 HD13 ILE 27 HD13 ILE 27 0.868 8.832 -6.985
Start of MODEL 3
1 H1 GLN 1 HT1 GLN 1 6.969 6.949 7.219
2 H2 GLN 1 HT2 GLN 1 6.639 7.097 5.541
3 H3 GLN 1 HT3 GLN 1 8.243 7.284 6.122
4 HA GLN 1 HA GLN 1 7.883 5.164 5.064
5 HB2 GLN 1 HB2 GLN 1 9.554 5.513 6.851
6 HB3 GLN 1 HB1 GLN 1 8.348 5.070 8.053
7 HG2 GLN 1 HG2 GLN 1 8.763 3.100 5.915
8 HG3 GLN 1 HG1 GLN 1 10.144 3.364 6.980
9 HE21 GLN 1 HE21 GLN 1 7.956 1.216 6.558
10 HE22 GLN 1 HE22 GLN 1 7.478 0.831 8.172
11 H LEU 2 HN LEU 2 5.603 4.964 4.526
12 HA LEU 2 HA LEU 2 4.020 3.526 6.543
13 HB2 LEU 2 HB2 LEU 2 2.138 3.990 4.839
14 HB3 LEU 2 HB1 LEU 2 2.719 5.307 5.839
15 HG LEU 2 HG LEU 2 4.036 5.002 3.207
16 HD11 LEU 2 HD11 LEU 2 1.392 4.676 3.088
17 HD12 LEU 2 HD12 LEU 2 2.300 5.574 1.871
18 HD13 LEU 2 HD13 LEU 2 1.451 6.437 3.152
19 HD21 LEU 2 HD21 LEU 2 4.157 6.843 5.153
20 HD22 LEU 2 HD22 LEU 2 2.876 7.543 4.164
21 HD23 LEU 2 HD23 LEU 2 4.456 7.209 3.454
22 H CYS 3 HN CYS 3 5.907 1.937 5.577
23 HA CYS 3 HA CYS 3 5.226 0.583 3.169
24 HB2 CYS 3 HB2 CYS 3 7.455 0.652 4.680
25 HB3 CYS 3 HB1 CYS 3 6.773 -0.870 5.240
26 H LEU 4 HN LEU 4 2.875 0.489 3.903
27 HA LEU 4 HA LEU 4 2.087 -1.420 5.850
28 HB2 LEU 4 HB2 LEU 4 0.832 0.427 4.053
29 HB3 LEU 4 HB1 LEU 4 0.042 -1.130 3.916
30 HG LEU 4 HG LEU 4 0.346 -0.639 6.680
31 HD11 LEU 4 HD11 LEU 4 0.634 1.664 6.461
32 HD12 LEU 4 HD12 LEU 4 -1.096 1.478 6.747
33 HD13 LEU 4 HD13 LEU 4 -0.499 1.773 5.114
34 HD21 LEU 4 HD21 LEU 4 -2.069 -0.716 6.672
35 HD22 LEU 4 HD22 LEU 4 -1.432 -1.917 5.549
36 HD23 LEU 4 HD23 LEU 4 -2.101 -0.405 4.935
37 H GLN 5 HN GLN 5 3.156 -3.363 5.433
38 HA GLN 5 HA GLN 5 3.707 -4.787 3.288
39 HB2 GLN 5 HB2 GLN 5 2.730 -5.539 5.940
40 HB3 GLN 5 HB1 GLN 5 2.464 -6.776 4.718
41 HG2 GLN 5 HG2 GLN 5 5.083 -5.529 5.504
42 HG3 GLN 5 HG1 GLN 5 4.555 -7.186 5.784
43 HE21 GLN 5 HE21 GLN 5 6.587 -5.457 4.014
44 HE22 GLN 5 HE22 GLN 5 6.635 -6.391 2.561
45 H CYS 6 HN CYS 6 2.776 -5.339 1.455
46 HA CYS 6 HA CYS 6 -0.160 -5.531 1.369
47 HB2 CYS 6 HB2 CYS 6 0.002 -5.016 -1.012
48 HB3 CYS 6 HB1 CYS 6 0.812 -3.778 -0.060
49 H ARG 7 HN ARG 7 -0.823 -6.964 -0.662
50 HA ARG 7 HA ARG 7 0.773 -9.424 -0.638
51 HB2 ARG 7 HB2 ARG 7 -2.081 -9.086 0.155
52 HB3 ARG 7 HB1 ARG 7 -1.614 -10.562 -0.679
53 HG2 ARG 7 HG2 ARG 7 -0.003 -11.075 1.040
54 HG3 ARG 7 HG1 ARG 7 -0.334 -9.541 1.847
55 HD2 ARG 7 HD2 ARG 7 -2.674 -11.260 1.345
56 HD3 ARG 7 HD1 ARG 7 -1.506 -11.881 2.509
57 HE ARG 7 HE ARG 7 -3.322 -9.719 2.894
58 HH11 ARG 7 HH11 ARG 7 -0.159 -10.901 3.776
59 HH12 ARG 7 HH12 ARG 7 -0.121 -10.045 5.281
60 HH21 ARG 7 HH21 ARG 7 -3.274 -8.592 4.872
61 HH22 ARG 7 HH22 ARG 7 -1.890 -8.734 5.903
62 H SER 8 HN SER 8 -1.892 -7.667 -2.173
63 HA SER 8 HA SER 8 -1.155 -8.968 -4.712
64 HB2 SER 8 HB2 SER 8 -3.864 -8.128 -3.686
65 HB3 SER 8 HB1 SER 8 -3.564 -8.467 -5.390
66 HG SER 8 HG SER 8 -3.122 -10.563 -4.901
67 H ASN 9 HN ASN 9 -3.369 -6.253 -4.255
68 HA ASN 9 HA ASN 9 -1.408 -4.463 -5.498
69 HB2 ASN 9 HB2 ASN 9 -2.950 -5.419 -7.236
70 HB3 ASN 9 HB1 ASN 9 -4.284 -4.629 -6.401
71 HD21 ASN 9 HD21 ASN 9 -4.091 -2.272 -6.122
72 HD22 ASN 9 HD22 ASN 9 -3.361 -1.358 -7.393
73 H SER 10 HN SER 10 -4.546 -4.737 -3.901
74 HA SER 10 HA SER 10 -3.978 -2.219 -2.506
75 HB2 SER 10 HB2 SER 10 -6.029 -1.282 -2.987
76 HB3 SER 10 HB1 SER 10 -5.766 -2.199 -4.469
77 HG SER 10 HG SER 10 -7.491 -2.736 -2.323
78 H ASP 11 HN ASP 11 -3.438 -4.751 -1.506
79 HA ASP 11 HA ASP 11 -5.596 -5.678 0.138
80 HB2 ASP 11 HB2 ASP 11 -3.393 -6.892 -0.783
81 HB3 ASP 11 HB1 ASP 11 -2.789 -6.402 0.798
82 H CYS 12 HN CYS 12 -5.602 -3.132 0.746
83 HA CYS 12 HA CYS 12 -4.741 -3.099 3.507
84 HB2 CYS 12 HB2 CYS 12 -3.573 -1.309 1.419
85 HB3 CYS 12 HB1 CYS 12 -3.815 -0.679 3.046
86 H ASN 13 HN ASN 13 -5.489 -0.223 1.607
87 HA ASN 13 HA ASN 13 -8.280 -0.266 2.270
88 HB2 ASN 13 HB2 ASN 13 -8.266 1.709 3.722
89 HB3 ASN 13 HB1 ASN 13 -7.339 0.394 4.439
90 HD21 ASN 13 HD21 ASN 13 -6.748 2.572 5.578
91 HD22 ASN 13 HD22 ASN 13 -5.295 3.305 5.001
92 H ILE 14 HN ILE 14 -9.217 2.051 1.817
93 HA ILE 14 HA ILE 14 -8.829 2.607 -0.875
94 HB ILE 14 HB ILE 14 -10.064 4.742 -0.436
95 HG12 ILE 14 HG12 ILE 14 -11.098 4.665 1.998
96 HG13 ILE 14 HG11 ILE 14 -9.587 3.845 2.377
97 HG21 ILE 14 HG21 ILE 14 -12.132 3.673 -0.068
98 HG22 ILE 14 HG22 ILE 14 -11.387 2.392 0.889
99 HG23 ILE 14 HG23 ILE 14 -11.105 2.470 -0.850
100 HD11 ILE 14 HD11 ILE 14 -9.673 6.496 0.981
101 HD12 ILE 14 HD12 ILE 14 -8.305 5.718 1.774
102 HD13 ILE 14 HD13 ILE 14 -9.645 6.337 2.737
103 H ILE 15 HN ILE 15 -7.001 3.683 1.837
104 HA ILE 15 HA ILE 15 -5.927 6.041 0.606
105 HB ILE 15 HB ILE 15 -4.438 4.626 2.769
106 HG12 ILE 15 HG12 ILE 15 -7.027 6.132 3.187
107 HG13 ILE 15 HG11 ILE 15 -6.756 4.422 3.500
108 HG21 ILE 15 HG21 ILE 15 -4.534 7.241 1.592
109 HG22 ILE 15 HG22 ILE 15 -3.360 6.561 2.718
110 HG23 ILE 15 HG23 ILE 15 -4.816 7.343 3.329
111 HD11 ILE 15 HD11 ILE 15 -6.122 6.753 5.130
112 HD12 ILE 15 HD12 ILE 15 -4.812 5.579 5.011
113 HD13 ILE 15 HD13 ILE 15 -6.396 5.075 5.599
114 H TRP 16 HN TRP 16 -4.450 2.960 1.509
115 HA TRP 16 HA TRP 16 -2.390 3.387 -0.518
116 HB2 TRP 16 HB2 TRP 16 -2.459 1.289 1.654
117 HB3 TRP 16 HB1 TRP 16 -1.064 1.813 0.707
118 HD1 TRP 16 HD1 TRP 16 -0.563 4.593 1.027
119 HE1 TRP 16 HE1 TRP 16 -0.478 5.919 3.228
120 HE3 TRP 16 HE3 TRP 16 -3.210 1.402 3.963
121 HZ2 TRP 16 HZ2 TRP 16 -1.414 5.634 5.879
122 HZ3 TRP 16 HZ3 TRP 16 -3.589 1.993 6.325
123 HH2 TRP 16 HH2 TRP 16 -2.706 4.065 7.259
124 H ARG 17 HN ARG 17 -2.992 2.663 -2.438
125 HA ARG 17 HA ARG 17 -4.137 -0.046 -2.604
126 HB2 ARG 17 HB2 ARG 17 -5.813 1.565 -3.232
127 HB3 ARG 17 HB1 ARG 17 -4.694 2.376 -4.318
128 HG2 ARG 17 HG2 ARG 17 -5.057 0.927 -5.981
129 HG3 ARG 17 HG1 ARG 17 -5.094 -0.463 -4.898
130 HD2 ARG 17 HD2 ARG 17 -7.298 -0.521 -5.219
131 HD3 ARG 17 HD1 ARG 17 -7.393 0.958 -4.264
132 HE ARG 17 HE ARG 17 -7.714 0.702 -7.112
133 HH11 ARG 17 HH11 ARG 17 -6.925 2.877 -4.498
134 HH12 ARG 17 HH12 ARG 17 -7.365 4.299 -5.383
135 HH21 ARG 17 HH21 ARG 17 -8.291 2.572 -8.276
136 HH22 ARG 17 HH22 ARG 17 -8.141 4.126 -7.527
137 H ILE 18 HN ILE 18 -1.305 1.423 -3.017
138 HA ILE 18 HA ILE 18 -0.721 0.049 -5.553
139 HB ILE 18 HB ILE 18 0.931 2.216 -4.251
140 HG12 ILE 18 HG12 ILE 18 -1.135 3.223 -4.942
141 HG13 ILE 18 HG11 ILE 18 0.081 3.628 -6.149
142 HG21 ILE 18 HG21 ILE 18 2.149 0.631 -5.703
143 HG22 ILE 18 HG22 ILE 18 2.139 2.277 -6.335
144 HG23 ILE 18 HG23 ILE 18 1.069 1.061 -7.030
145 HD11 ILE 18 HD11 ILE 18 -1.975 1.448 -6.414
146 HD12 ILE 18 HD12 ILE 18 -0.789 1.921 -7.631
147 HD13 ILE 18 HD13 ILE 18 -2.063 3.045 -7.157
148 H CYS 19 HN CYS 19 -0.412 -1.988 -4.652
149 HA CYS 19 HA CYS 19 1.249 -2.487 -2.428
150 HB2 CYS 19 HB2 CYS 19 -0.319 -4.177 -3.030
151 HB3 CYS 19 HB1 CYS 19 0.270 -4.234 -4.686
152 H ARG 20 HN ARG 20 3.069 -1.121 -2.947
153 HA ARG 20 HA ARG 20 4.767 -1.835 -5.165
154 HB2 ARG 20 HB2 ARG 20 5.321 0.001 -2.823
155 HB3 ARG 20 HB1 ARG 20 6.274 -0.110 -4.297
156 HG2 ARG 20 HG2 ARG 20 4.208 0.581 -5.554
157 HG3 ARG 20 HG1 ARG 20 3.477 0.939 -3.990
158 HD2 ARG 20 HD2 ARG 20 4.337 2.991 -4.383
159 HD3 ARG 20 HD1 ARG 20 5.794 2.260 -3.712
160 HE ARG 20 HE ARG 20 6.002 1.722 -6.352
161 HH11 ARG 20 HH11 ARG 20 5.424 4.662 -4.561
162 HH12 ARG 20 HH12 ARG 20 6.189 5.677 -5.736
163 HH21 ARG 20 HH21 ARG 20 7.009 3.056 -7.899
164 HH22 ARG 20 HH22 ARG 20 7.089 4.766 -7.631
165 H ASP 21 HN ASP 21 7.284 -1.497 -3.651
166 HA ASP 21 HA ASP 21 8.217 -3.979 -3.366
167 HB2 ASP 21 HB2 ASP 21 9.273 -1.596 -2.834
168 HB3 ASP 21 HB1 ASP 21 9.022 -2.131 -1.175
169 H GLY 22 HN GLY 22 6.185 -5.088 -2.646
170 HA2 GLY 22 HA2 GLY 22 5.076 -6.365 -1.103
171 HA3 GLY 22 HA1 GLY 22 6.532 -6.239 -0.129
172 H CYS 23 HN CYS 23 4.894 -3.311 -0.993
173 HA CYS 23 HA CYS 23 3.489 -3.264 1.575
174 HB2 CYS 23 HB2 CYS 23 5.491 -1.185 0.684
175 HB3 CYS 23 HB1 CYS 23 4.372 -0.968 2.025
176 H CYS 24 HN CYS 24 1.986 -1.429 1.773
177 HA CYS 24 HA CYS 24 0.656 -0.965 -0.774
178 HB2 CYS 24 HB2 CYS 24 -0.243 -0.291 2.035
179 HB3 CYS 24 HB1 CYS 24 -1.223 -0.158 0.580
180 H ASN 25 HN ASN 25 0.568 0.957 -1.802
181 HA ASN 25 HA ASN 25 1.747 3.270 -0.388
182 HB2 ASN 25 HB2 ASN 25 2.223 2.178 -3.093
183 HB3 ASN 25 HB1 ASN 25 2.149 3.933 -2.969
184 HD21 ASN 25 HD21 ASN 25 3.812 1.048 -2.073
185 HD22 ASN 25 HD22 ASN 25 5.252 1.807 -1.521
186 H VAL 26 HN VAL 26 0.955 5.346 -0.906
187 HA VAL 26 HA VAL 26 -1.890 5.327 -1.523
188 HB VAL 26 HB VAL 26 -1.140 7.988 -1.043
189 HG11 VAL 26 HG11 VAL 26 -2.417 5.883 0.671
190 HG12 VAL 26 HG12 VAL 26 -3.197 7.135 -0.297
191 HG13 VAL 26 HG13 VAL 26 -2.296 7.575 1.154
192 HG21 VAL 26 HG21 VAL 26 1.043 7.113 -0.210
193 HG22 VAL 26 HG22 VAL 26 0.160 6.231 1.034
194 HG23 VAL 26 HG23 VAL 26 0.108 7.991 0.998
195 H ILE 27 HN ILE 27 0.849 5.603 -3.322
196 HA ILE 27 HA ILE 27 0.029 7.802 -5.002
197 HB ILE 27 HB ILE 27 2.415 7.291 -4.590
198 HG12 ILE 27 HG12 ILE 27 2.795 7.031 -7.313
199 HG13 ILE 27 HG11 ILE 27 1.156 7.666 -7.209
200 HG21 ILE 27 HG21 ILE 27 2.349 5.054 -6.535
201 HG22 ILE 27 HG22 ILE 27 1.836 4.719 -4.881
202 HG23 ILE 27 HG23 ILE 27 3.450 5.358 -5.191
203 HD11 ILE 27 HD11 ILE 27 1.952 9.548 -5.900
204 HD12 ILE 27 HD12 ILE 27 2.812 9.439 -7.435
205 HD13 ILE 27 HD13 ILE 27 3.592 8.901 -5.947
Start of MODEL 4
1 H1 GLN 1 HT1 GLN 1 6.901 7.611 6.080
2 H2 GLN 1 HT2 GLN 1 7.038 8.440 4.584
3 H3 GLN 1 HT3 GLN 1 7.954 7.017 4.865
4 HA GLN 1 HA GLN 1 5.078 7.316 4.408
5 HB2 GLN 1 HB2 GLN 1 7.441 6.071 3.096
6 HB3 GLN 1 HB1 GLN 1 5.903 5.236 2.937
7 HG2 GLN 1 HG2 GLN 1 4.919 7.342 2.062
8 HG3 GLN 1 HG1 GLN 1 6.531 8.054 2.093
9 HE21 GLN 1 HE21 GLN 1 8.151 7.147 0.726
10 HE22 GLN 1 HE22 GLN 1 7.708 6.317 -0.722
11 H LEU 2 HN LEU 2 4.315 4.809 4.083
12 HA LEU 2 HA LEU 2 5.040 3.359 6.536
13 HB2 LEU 2 HB2 LEU 2 2.719 4.746 6.331
14 HB3 LEU 2 HB1 LEU 2 2.215 3.193 5.691
15 HG LEU 2 HG LEU 2 3.371 3.734 8.426
16 HD11 LEU 2 HD11 LEU 2 1.189 4.245 8.725
17 HD12 LEU 2 HD12 LEU 2 1.045 2.492 8.853
18 HD13 LEU 2 HD13 LEU 2 0.661 3.298 7.332
19 HD21 LEU 2 HD21 LEU 2 2.601 1.195 8.590
20 HD22 LEU 2 HD22 LEU 2 4.234 1.656 8.108
21 HD23 LEU 2 HD23 LEU 2 3.043 1.224 6.882
22 H CYS 3 HN CYS 3 6.026 1.596 5.751
23 HA CYS 3 HA CYS 3 5.303 0.384 3.269
24 HB2 CYS 3 HB2 CYS 3 7.542 0.331 4.852
25 HB3 CYS 3 HB1 CYS 3 6.861 -1.268 5.133
26 H LEU 4 HN LEU 4 2.968 0.292 4.092
27 HA LEU 4 HA LEU 4 2.195 -1.686 5.954
28 HB2 LEU 4 HB2 LEU 4 0.927 0.195 4.192
29 HB3 LEU 4 HB1 LEU 4 0.132 -1.360 4.054
30 HG LEU 4 HG LEU 4 0.347 -1.064 6.777
31 HD11 LEU 4 HD11 LEU 4 0.881 1.100 7.107
32 HD12 LEU 4 HD12 LEU 4 -0.839 1.350 6.802
33 HD13 LEU 4 HD13 LEU 4 0.331 1.594 5.506
34 HD21 LEU 4 HD21 LEU 4 -2.069 -0.554 6.671
35 HD22 LEU 4 HD22 LEU 4 -1.599 -1.887 5.616
36 HD23 LEU 4 HD23 LEU 4 -1.909 -0.290 4.934
37 H GLN 5 HN GLN 5 2.903 -3.734 5.649
38 HA GLN 5 HA GLN 5 3.593 -5.123 3.461
39 HB2 GLN 5 HB2 GLN 5 2.571 -7.181 4.603
40 HB3 GLN 5 HB1 GLN 5 3.777 -6.266 5.497
41 HG2 GLN 5 HG2 GLN 5 1.640 -5.025 6.418
42 HG3 GLN 5 HG1 GLN 5 0.862 -6.543 5.973
43 HE21 GLN 5 HE21 GLN 5 4.000 -5.684 7.397
44 HE22 GLN 5 HE22 GLN 5 3.858 -6.731 8.764
45 H CYS 6 HN CYS 6 2.687 -5.299 1.523
46 HA CYS 6 HA CYS 6 -0.238 -5.417 1.325
47 HB2 CYS 6 HB2 CYS 6 0.008 -4.712 -0.970
48 HB3 CYS 6 HB1 CYS 6 0.962 -3.641 0.049
49 H ARG 7 HN ARG 7 -0.916 -6.711 -0.768
50 HA ARG 7 HA ARG 7 0.560 -9.248 -0.792
51 HB2 ARG 7 HB2 ARG 7 -2.316 -8.764 -0.201
52 HB3 ARG 7 HB1 ARG 7 -1.897 -10.208 -1.112
53 HG2 ARG 7 HG2 ARG 7 -0.234 -10.700 0.756
54 HG3 ARG 7 HG1 ARG 7 -1.086 -9.458 1.674
55 HD2 ARG 7 HD2 ARG 7 -2.600 -11.686 0.371
56 HD3 ARG 7 HD1 ARG 7 -1.795 -11.944 1.918
57 HE ARG 7 HE ARG 7 -4.232 -10.575 1.497
58 HH11 ARG 7 HH11 ARG 7 -1.315 -10.430 3.408
59 HH12 ARG 7 HH12 ARG 7 -2.073 -9.606 4.729
60 HH21 ARG 7 HH21 ARG 7 -5.229 -9.490 3.233
61 HH22 ARG 7 HH22 ARG 7 -4.295 -9.072 4.630
62 H SER 8 HN SER 8 -2.356 -8.003 -2.392
63 HA SER 8 HA SER 8 -1.312 -8.961 -4.941
64 HB2 SER 8 HB2 SER 8 -4.038 -8.050 -4.037
65 HB3 SER 8 HB1 SER 8 -3.661 -8.303 -5.740
66 HG SER 8 HG SER 8 -3.028 -10.463 -5.137
67 H ASN 9 HN ASN 9 -3.423 -6.156 -4.525
68 HA ASN 9 HA ASN 9 -1.326 -4.455 -5.678
69 HB2 ASN 9 HB2 ASN 9 -2.895 -5.172 -7.458
70 HB3 ASN 9 HB1 ASN 9 -4.219 -4.452 -6.548
71 HD21 ASN 9 HD21 ASN 9 -4.045 -2.130 -6.097
72 HD22 ASN 9 HD22 ASN 9 -3.310 -1.114 -7.284
73 H SER 10 HN SER 10 -4.467 -4.543 -4.058
74 HA SER 10 HA SER 10 -3.656 -2.194 -2.505
75 HB2 SER 10 HB2 SER 10 -5.731 -1.081 -2.811
76 HB3 SER 10 HB1 SER 10 -5.233 -1.589 -4.424
77 HG SER 10 HG SER 10 -7.389 -2.376 -2.916
78 H ASP 11 HN ASP 11 -3.419 -4.756 -1.600
79 HA ASP 11 HA ASP 11 -5.753 -5.562 -0.130
80 HB2 ASP 11 HB2 ASP 11 -2.967 -6.559 -0.450
81 HB3 ASP 11 HB1 ASP 11 -3.831 -7.030 1.009
82 H CYS 12 HN CYS 12 -5.545 -3.069 0.625
83 HA CYS 12 HA CYS 12 -4.658 -3.258 3.397
84 HB2 CYS 12 HB2 CYS 12 -3.552 -1.412 1.358
85 HB3 CYS 12 HB1 CYS 12 -3.889 -0.722 2.942
86 H ASN 13 HN ASN 13 -5.558 -0.300 1.713
87 HA ASN 13 HA ASN 13 -8.303 -0.444 2.615
88 HB2 ASN 13 HB2 ASN 13 -7.024 2.041 3.562
89 HB3 ASN 13 HB1 ASN 13 -8.257 1.046 4.327
90 HD21 ASN 13 HD21 ASN 13 -5.064 2.012 4.388
91 HD22 ASN 13 HD22 ASN 13 -4.456 0.844 5.506
92 H ILE 14 HN ILE 14 -9.013 2.196 2.399
93 HA ILE 14 HA ILE 14 -9.017 2.556 -0.434
94 HB ILE 14 HB ILE 14 -9.957 4.536 1.638
95 HG12 ILE 14 HG12 ILE 14 -12.216 3.279 0.808
96 HG13 ILE 14 HG11 ILE 14 -11.073 1.939 0.771
97 HG21 ILE 14 HG21 ILE 14 -11.543 5.159 -0.196
98 HG22 ILE 14 HG22 ILE 14 -10.619 4.107 -1.268
99 HG23 ILE 14 HG23 ILE 14 -9.848 5.512 -0.533
100 HD11 ILE 14 HD11 ILE 14 -11.022 3.596 3.199
101 HD12 ILE 14 HD12 ILE 14 -10.913 1.846 3.009
102 HD13 ILE 14 HD13 ILE 14 -12.483 2.646 2.937
103 H ILE 15 HN ILE 15 -6.872 3.502 2.013
104 HA ILE 15 HA ILE 15 -5.964 5.931 0.718
105 HB ILE 15 HB ILE 15 -4.252 4.673 2.775
106 HG12 ILE 15 HG12 ILE 15 -7.012 5.739 3.399
107 HG13 ILE 15 HG11 ILE 15 -6.392 4.128 3.741
108 HG21 ILE 15 HG21 ILE 15 -4.395 7.116 1.578
109 HG22 ILE 15 HG22 ILE 15 -3.564 6.777 3.095
110 HG23 ILE 15 HG23 ILE 15 -5.207 7.416 3.114
111 HD11 ILE 15 HD11 ILE 15 -6.259 5.131 5.797
112 HD12 ILE 15 HD12 ILE 15 -5.831 6.704 5.123
113 HD13 ILE 15 HD13 ILE 15 -4.634 5.409 5.168
114 H TRP 16 HN TRP 16 -4.275 2.994 1.716
115 HA TRP 16 HA TRP 16 -2.366 3.370 -0.447
116 HB2 TRP 16 HB2 TRP 16 -2.297 1.343 1.794
117 HB3 TRP 16 HB1 TRP 16 -0.954 1.853 0.765
118 HD1 TRP 16 HD1 TRP 16 -0.481 4.643 0.947
119 HE1 TRP 16 HE1 TRP 16 -0.364 6.079 3.068
120 HE3 TRP 16 HE3 TRP 16 -2.964 1.547 4.129
121 HZ2 TRP 16 HZ2 TRP 16 -1.194 5.906 5.767
122 HZ3 TRP 16 HZ3 TRP 16 -3.269 2.246 6.472
123 HH2 TRP 16 HH2 TRP 16 -2.399 4.382 7.271
124 H ARG 17 HN ARG 17 -2.977 2.575 -2.320
125 HA ARG 17 HA ARG 17 -3.988 -0.192 -2.388
126 HB2 ARG 17 HB2 ARG 17 -5.142 0.551 -4.551
127 HB3 ARG 17 HB1 ARG 17 -5.845 1.084 -3.030
128 HG2 ARG 17 HG2 ARG 17 -3.868 2.900 -4.247
129 HG3 ARG 17 HG1 ARG 17 -5.394 2.708 -5.114
130 HD2 ARG 17 HD2 ARG 17 -5.620 3.092 -2.202
131 HD3 ARG 17 HD1 ARG 17 -5.000 4.473 -3.104
132 HE ARG 17 HE ARG 17 -7.679 3.590 -3.021
133 HH11 ARG 17 HH11 ARG 17 -5.304 4.861 -5.240
134 HH12 ARG 17 HH12 ARG 17 -6.483 5.587 -6.281
135 HH21 ARG 17 HH21 ARG 17 -9.230 4.545 -4.389
136 HH22 ARG 17 HH22 ARG 17 -8.712 5.409 -5.798
137 H ILE 18 HN ILE 18 -1.280 1.367 -2.853
138 HA ILE 18 HA ILE 18 -0.673 0.151 -5.463
139 HB ILE 18 HB ILE 18 0.890 2.271 -3.981
140 HG12 ILE 18 HG12 ILE 18 -1.216 3.201 -4.718
141 HG13 ILE 18 HG11 ILE 18 0.059 3.782 -5.782
142 HG21 ILE 18 HG21 ILE 18 1.907 2.516 -6.334
143 HG22 ILE 18 HG22 ILE 18 1.254 0.903 -6.623
144 HG23 ILE 18 HG23 ILE 18 2.427 1.161 -5.331
145 HD11 ILE 18 HD11 ILE 18 -0.830 1.496 -7.035
146 HD12 ILE 18 HD12 ILE 18 -1.248 3.157 -7.458
147 HD13 ILE 18 HD13 ILE 18 -2.300 2.227 -6.392
148 H CYS 19 HN CYS 19 -0.454 -1.937 -4.518
149 HA CYS 19 HA CYS 19 1.243 -2.535 -2.375
150 HB2 CYS 19 HB2 CYS 19 -0.385 -4.152 -3.084
151 HB3 CYS 19 HB1 CYS 19 0.300 -4.216 -4.701
152 H ARG 20 HN ARG 20 3.082 -1.182 -2.844
153 HA ARG 20 HA ARG 20 4.792 -1.861 -5.065
154 HB2 ARG 20 HB2 ARG 20 4.486 0.416 -3.677
155 HB3 ARG 20 HB1 ARG 20 5.829 -0.271 -2.773
156 HG2 ARG 20 HG2 ARG 20 6.815 -0.613 -5.203
157 HG3 ARG 20 HG1 ARG 20 5.726 0.729 -5.562
158 HD2 ARG 20 HD2 ARG 20 6.803 2.147 -4.014
159 HD3 ARG 20 HD1 ARG 20 7.668 0.803 -3.270
160 HE ARG 20 HE ARG 20 8.570 0.776 -5.817
161 HH11 ARG 20 HH11 ARG 20 8.329 3.286 -3.404
162 HH12 ARG 20 HH12 ARG 20 9.707 4.157 -3.992
163 HH21 ARG 20 HH21 ARG 20 10.382 1.919 -6.591
164 HH22 ARG 20 HH22 ARG 20 10.871 3.381 -5.802
165 H ASP 21 HN ASP 21 7.297 -1.638 -3.555
166 HA ASP 21 HA ASP 21 8.134 -4.167 -3.289
167 HB2 ASP 21 HB2 ASP 21 9.305 -1.837 -2.792
168 HB3 ASP 21 HB1 ASP 21 9.042 -2.335 -1.123
169 H GLY 22 HN GLY 22 6.100 -5.221 -2.538
170 HA2 GLY 22 HA2 GLY 22 4.959 -6.443 -0.972
171 HA3 GLY 22 HA1 GLY 22 6.424 -6.350 -0.008
172 H CYS 23 HN CYS 23 4.894 -3.376 -0.893
173 HA CYS 23 HA CYS 23 3.511 -3.254 1.692
174 HB2 CYS 23 HB2 CYS 23 5.391 -1.087 0.738
175 HB3 CYS 23 HB1 CYS 23 4.494 -1.114 2.253
176 H CYS 24 HN CYS 24 2.041 -1.383 1.867
177 HA CYS 24 HA CYS 24 0.729 -0.913 -0.695
178 HB2 CYS 24 HB2 CYS 24 -0.218 -0.231 2.098
179 HB3 CYS 24 HB1 CYS 24 -1.173 -0.143 0.623
180 H ASN 25 HN ASN 25 0.897 0.949 -1.760
181 HA ASN 25 HA ASN 25 1.904 3.288 -0.269
182 HB2 ASN 25 HB2 ASN 25 2.414 2.469 -3.130
183 HB3 ASN 25 HB1 ASN 25 2.830 4.051 -2.488
184 HD21 ASN 25 HD21 ASN 25 3.229 0.615 -1.776
185 HD22 ASN 25 HD22 ASN 25 4.860 0.737 -1.236
186 H VAL 26 HN VAL 26 1.057 5.310 -0.717
187 HA VAL 26 HA VAL 26 -1.669 5.255 -1.731
188 HB VAL 26 HB VAL 26 -1.318 7.853 -1.007
189 HG11 VAL 26 HG11 VAL 26 -2.339 5.433 0.314
190 HG12 VAL 26 HG12 VAL 26 -3.150 6.949 -0.070
191 HG13 VAL 26 HG13 VAL 26 -2.102 6.842 1.345
192 HG21 VAL 26 HG21 VAL 26 1.044 7.207 -0.262
193 HG22 VAL 26 HG22 VAL 26 0.256 6.368 1.075
194 HG23 VAL 26 HG23 VAL 26 0.044 8.106 0.878
195 H ILE 27 HN ILE 27 1.254 5.666 -3.142
196 HA ILE 27 HA ILE 27 0.548 7.937 -4.811
197 HB ILE 27 HB ILE 27 2.863 7.681 -4.016
198 HG12 ILE 27 HG12 ILE 27 3.171 7.284 -6.935
199 HG13 ILE 27 HG11 ILE 27 2.035 8.537 -6.445
200 HG21 ILE 27 HG21 ILE 27 4.143 5.852 -4.325
201 HG22 ILE 27 HG22 ILE 27 3.488 5.534 -5.931
202 HG23 ILE 27 HG23 ILE 27 2.585 5.043 -4.498
203 HD11 ILE 27 HD11 ILE 27 4.946 8.356 -5.712
204 HD12 ILE 27 HD12 ILE 27 3.824 9.566 -5.090
205 HD13 ILE 27 HD13 ILE 27 4.195 9.509 -6.814
Start of MODEL 5
1 H1 GLN 1 HT1 GLN 1 4.997 8.691 4.400
2 H2 GLN 1 HT2 GLN 1 5.240 8.331 6.061
3 H3 GLN 1 HT3 GLN 1 3.905 7.657 5.220
4 HA GLN 1 HA GLN 1 5.506 6.542 3.745
5 HB2 GLN 1 HB2 GLN 1 7.353 7.657 5.856
6 HB3 GLN 1 HB1 GLN 1 7.796 6.289 4.843
7 HG2 GLN 1 HG2 GLN 1 8.646 7.829 3.478
8 HG3 GLN 1 HG1 GLN 1 6.974 8.102 2.988
9 HE21 GLN 1 HE21 GLN 1 9.596 9.738 3.554
10 HE22 GLN 1 HE22 GLN 1 8.979 11.145 4.344
11 H LEU 2 HN LEU 2 4.248 4.809 4.242
12 HA LEU 2 HA LEU 2 4.943 3.361 6.695
13 HB2 LEU 2 HB2 LEU 2 2.610 4.708 6.554
14 HB3 LEU 2 HB1 LEU 2 2.119 3.187 5.831
15 HG LEU 2 HG LEU 2 2.938 2.004 7.860
16 HD11 LEU 2 HD11 LEU 2 2.963 4.479 9.444
17 HD12 LEU 2 HD12 LEU 2 4.350 4.247 8.381
18 HD13 LEU 2 HD13 LEU 2 3.950 3.024 9.587
19 HD21 LEU 2 HD21 LEU 2 1.060 3.951 8.996
20 HD22 LEU 2 HD22 LEU 2 0.915 2.203 8.813
21 HD23 LEU 2 HD23 LEU 2 0.568 3.265 7.448
22 H CYS 3 HN CYS 3 6.020 1.695 5.795
23 HA CYS 3 HA CYS 3 5.295 0.501 3.314
24 HB2 CYS 3 HB2 CYS 3 7.571 0.520 4.749
25 HB3 CYS 3 HB1 CYS 3 6.940 -1.049 5.237
26 H LEU 4 HN LEU 4 2.969 0.305 4.132
27 HA LEU 4 HA LEU 4 2.271 -1.740 5.957
28 HB2 LEU 4 HB2 LEU 4 0.916 0.080 4.140
29 HB3 LEU 4 HB1 LEU 4 0.142 -1.491 4.185
30 HG LEU 4 HG LEU 4 0.472 -1.007 6.844
31 HD11 LEU 4 HD11 LEU 4 1.344 1.251 6.370
32 HD12 LEU 4 HD12 LEU 4 -0.152 1.276 7.304
33 HD13 LEU 4 HD13 LEU 4 -0.182 1.649 5.580
34 HD21 LEU 4 HD21 LEU 4 -1.859 -0.150 5.133
35 HD22 LEU 4 HD22 LEU 4 -1.906 -0.487 6.863
36 HD23 LEU 4 HD23 LEU 4 -1.560 -1.786 5.721
37 H GLN 5 HN GLN 5 2.871 -3.803 5.645
38 HA GLN 5 HA GLN 5 3.653 -5.100 3.399
39 HB2 GLN 5 HB2 GLN 5 3.215 -5.885 5.938
40 HB3 GLN 5 HB1 GLN 5 1.873 -6.700 5.147
41 HG2 GLN 5 HG2 GLN 5 3.227 -8.117 3.994
42 HG3 GLN 5 HG1 GLN 5 4.561 -6.965 3.926
43 HE21 GLN 5 HE21 GLN 5 5.850 -6.674 5.815
44 HE22 GLN 5 HE22 GLN 5 5.992 -7.942 6.980
45 H CYS 6 HN CYS 6 2.755 -5.332 1.457
46 HA CYS 6 HA CYS 6 -0.169 -5.422 1.259
47 HB2 CYS 6 HB2 CYS 6 0.073 -4.747 -1.039
48 HB3 CYS 6 HB1 CYS 6 1.061 -3.681 -0.048
49 H ARG 7 HN ARG 7 -0.942 -6.797 -0.693
50 HA ARG 7 HA ARG 7 0.560 -9.321 -0.723
51 HB2 ARG 7 HB2 ARG 7 -2.298 -8.829 -0.055
52 HB3 ARG 7 HB1 ARG 7 -1.901 -10.299 -0.935
53 HG2 ARG 7 HG2 ARG 7 -0.092 -10.544 0.962
54 HG3 ARG 7 HG1 ARG 7 -1.212 -9.501 1.842
55 HD2 ARG 7 HD2 ARG 7 -1.840 -11.718 2.360
56 HD3 ARG 7 HD1 ARG 7 -3.032 -11.130 1.200
57 HE ARG 7 HE ARG 7 -0.986 -12.430 -0.202
58 HH11 ARG 7 HH11 ARG 7 -3.575 -13.172 2.016
59 HH12 ARG 7 HH12 ARG 7 -3.797 -14.782 1.415
60 HH21 ARG 7 HH21 ARG 7 -1.276 -14.545 -0.995
61 HH22 ARG 7 HH22 ARG 7 -2.492 -15.561 -0.294
62 H SER 8 HN SER 8 -2.386 -8.072 -2.268
63 HA SER 8 HA SER 8 -1.441 -9.134 -4.816
64 HB2 SER 8 HB2 SER 8 -3.909 -8.140 -5.375
65 HB3 SER 8 HB1 SER 8 -3.617 -9.773 -4.777
66 HG SER 8 HG SER 8 -4.121 -9.100 -2.724
67 H ASN 9 HN ASN 9 -3.488 -6.282 -4.387
68 HA ASN 9 HA ASN 9 -1.409 -4.639 -5.646
69 HB2 ASN 9 HB2 ASN 9 -2.977 -5.364 -7.399
70 HB3 ASN 9 HB1 ASN 9 -4.316 -4.691 -6.475
71 HD21 ASN 9 HD21 ASN 9 -4.284 -2.378 -6.076
72 HD22 ASN 9 HD22 ASN 9 -3.577 -1.332 -7.255
73 H SER 10 HN SER 10 -4.578 -4.603 -4.068
74 HA SER 10 HA SER 10 -3.717 -2.228 -2.572
75 HB2 SER 10 HB2 SER 10 -5.847 -1.172 -2.834
76 HB3 SER 10 HB1 SER 10 -5.325 -1.660 -4.446
77 HG SER 10 HG SER 10 -7.544 -2.182 -3.927
78 H ASP 11 HN ASP 11 -3.460 -4.791 -1.605
79 HA ASP 11 HA ASP 11 -5.743 -5.541 -0.039
80 HB2 ASP 11 HB2 ASP 11 -4.022 -7.161 -0.867
81 HB3 ASP 11 HB1 ASP 11 -2.877 -6.457 0.269
82 H CYS 12 HN CYS 12 -5.526 -3.012 0.606
83 HA CYS 12 HA CYS 12 -4.671 -3.090 3.382
84 HB2 CYS 12 HB2 CYS 12 -3.437 -1.364 1.292
85 HB3 CYS 12 HB1 CYS 12 -3.713 -0.653 2.878
86 H ASN 13 HN ASN 13 -5.310 -0.093 1.664
87 HA ASN 13 HA ASN 13 -8.121 -0.096 2.311
88 HB2 ASN 13 HB2 ASN 13 -6.945 2.288 3.514
89 HB3 ASN 13 HB1 ASN 13 -8.148 1.181 4.163
90 HD21 ASN 13 HD21 ASN 13 -5.032 2.326 4.423
91 HD22 ASN 13 HD22 ASN 13 -4.397 1.129 5.493
92 H ILE 14 HN ILE 14 -8.874 2.406 2.021
93 HA ILE 14 HA ILE 14 -8.566 2.959 -0.700
94 HB ILE 14 HB ILE 14 -9.359 4.983 1.390
95 HG12 ILE 14 HG12 ILE 14 -11.703 3.997 0.376
96 HG13 ILE 14 HG11 ILE 14 -10.713 2.543 0.449
97 HG21 ILE 14 HG21 ILE 14 -9.507 4.829 -1.556
98 HG22 ILE 14 HG22 ILE 14 -9.325 6.228 -0.498
99 HG23 ILE 14 HG23 ILE 14 -10.914 5.496 -0.728
100 HD11 ILE 14 HD11 ILE 14 -12.200 3.495 2.490
101 HD12 ILE 14 HD12 ILE 14 -10.631 4.214 2.856
102 HD13 ILE 14 HD13 ILE 14 -10.782 2.465 2.684
103 H ILE 15 HN ILE 15 -6.718 3.953 2.054
104 HA ILE 15 HA ILE 15 -5.373 6.157 0.881
105 HB ILE 15 HB ILE 15 -4.491 4.315 3.108
106 HG12 ILE 15 HG12 ILE 15 -5.393 7.075 3.639
107 HG13 ILE 15 HG11 ILE 15 -6.644 5.942 3.139
108 HG21 ILE 15 HG21 ILE 15 -2.585 5.443 2.221
109 HG22 ILE 15 HG22 ILE 15 -3.020 6.212 3.745
110 HG23 ILE 15 HG23 ILE 15 -3.435 6.986 2.217
111 HD11 ILE 15 HD11 ILE 15 -6.387 4.633 5.021
112 HD12 ILE 15 HD12 ILE 15 -6.136 6.261 5.651
113 HD13 ILE 15 HD13 ILE 15 -4.752 5.216 5.329
114 H TRP 16 HN TRP 16 -4.034 3.002 1.725
115 HA TRP 16 HA TRP 16 -2.124 3.283 -0.466
116 HB2 TRP 16 HB2 TRP 16 -2.057 1.316 1.821
117 HB3 TRP 16 HB1 TRP 16 -0.731 1.774 0.751
118 HD1 TRP 16 HD1 TRP 16 0.027 4.434 0.953
119 HE1 TRP 16 HE1 TRP 16 0.183 5.929 3.007
120 HE3 TRP 16 HE3 TRP 16 -2.957 1.750 4.066
121 HZ2 TRP 16 HZ2 TRP 16 -0.822 5.963 5.658
122 HZ3 TRP 16 HZ3 TRP 16 -3.320 2.574 6.359
123 HH2 TRP 16 HH2 TRP 16 -2.273 4.641 7.131
124 H ARG 17 HN ARG 17 -2.862 2.467 -2.291
125 HA ARG 17 HA ARG 17 -3.938 -0.272 -2.249
126 HB2 ARG 17 HB2 ARG 17 -5.265 0.379 -4.275
127 HB3 ARG 17 HB1 ARG 17 -5.768 1.165 -2.786
128 HG2 ARG 17 HG2 ARG 17 -4.301 3.117 -3.516
129 HG3 ARG 17 HG1 ARG 17 -4.263 2.336 -5.098
130 HD2 ARG 17 HD2 ARG 17 -6.915 2.276 -4.566
131 HD3 ARG 17 HD1 ARG 17 -6.448 3.761 -3.736
132 HE ARG 17 HE ARG 17 -6.090 4.751 -5.771
133 HH11 ARG 17 HH11 ARG 17 -6.351 1.300 -6.217
134 HH12 ARG 17 HH12 ARG 17 -6.388 1.400 -7.945
135 HH21 ARG 17 HH21 ARG 17 -6.139 4.884 -8.044
136 HH22 ARG 17 HH22 ARG 17 -6.267 3.435 -8.983
137 H ILE 18 HN ILE 18 -1.254 1.330 -2.946
138 HA ILE 18 HA ILE 18 -0.790 0.002 -5.529
139 HB ILE 18 HB ILE 18 0.986 2.065 -4.233
140 HG12 ILE 18 HG12 ILE 18 -1.265 3.014 -4.613
141 HG13 ILE 18 HG11 ILE 18 -0.056 3.742 -5.667
142 HG21 ILE 18 HG21 ILE 18 0.753 1.126 -7.088
143 HG22 ILE 18 HG22 ILE 18 2.013 0.651 -5.949
144 HG23 ILE 18 HG23 ILE 18 1.888 2.329 -6.476
145 HD11 ILE 18 HD11 ILE 18 -1.923 1.539 -6.503
146 HD12 ILE 18 HD12 ILE 18 -0.826 2.459 -7.532
147 HD13 ILE 18 HD13 ILE 18 -2.209 3.257 -6.782
148 H CYS 19 HN CYS 19 -0.527 -2.061 -4.540
149 HA CYS 19 HA CYS 19 1.230 -2.628 -2.453
150 HB2 CYS 19 HB2 CYS 19 -0.382 -4.272 -3.108
151 HB3 CYS 19 HB1 CYS 19 0.256 -4.333 -4.745
152 H ARG 20 HN ARG 20 3.066 -1.297 -2.918
153 HA ARG 20 HA ARG 20 4.748 -1.946 -5.169
154 HB2 ARG 20 HB2 ARG 20 4.461 0.309 -3.740
155 HB3 ARG 20 HB1 ARG 20 5.823 -0.390 -2.874
156 HG2 ARG 20 HG2 ARG 20 7.254 0.056 -4.532
157 HG3 ARG 20 HG1 ARG 20 6.115 -0.450 -5.780
158 HD2 ARG 20 HD2 ARG 20 4.978 1.674 -5.665
159 HD3 ARG 20 HD1 ARG 20 5.984 2.178 -4.308
160 HE ARG 20 HE ARG 20 7.789 1.664 -6.254
161 HH11 ARG 20 HH11 ARG 20 4.900 3.620 -6.137
162 HH12 ARG 20 HH12 ARG 20 5.480 4.768 -7.297
163 HH21 ARG 20 HH21 ARG 20 8.554 3.173 -7.778
164 HH22 ARG 20 HH22 ARG 20 7.554 4.514 -8.228
165 H ASP 21 HN ASP 21 7.275 -1.765 -3.735
166 HA ASP 21 HA ASP 21 8.090 -4.305 -3.489
167 HB2 ASP 21 HB2 ASP 21 9.315 -1.997 -3.061
168 HB3 ASP 21 HB1 ASP 21 9.096 -2.459 -1.376
169 H GLY 22 HN GLY 22 6.085 -5.343 -2.655
170 HA2 GLY 22 HA2 GLY 22 5.015 -6.567 -1.039
171 HA3 GLY 22 HA1 GLY 22 6.502 -6.433 -0.115
172 H CYS 23 HN CYS 23 4.963 -3.478 -0.991
173 HA CYS 23 HA CYS 23 3.616 -3.340 1.613
174 HB2 CYS 23 HB2 CYS 23 5.631 -1.346 0.571
175 HB3 CYS 23 HB1 CYS 23 4.539 -1.018 1.912
176 H CYS 24 HN CYS 24 2.210 -1.367 1.787
177 HA CYS 24 HA CYS 24 0.818 -0.988 -0.756
178 HB2 CYS 24 HB2 CYS 24 -0.082 -0.318 2.055
179 HB3 CYS 24 HB1 CYS 24 -1.061 -0.186 0.600
180 H ASN 25 HN ASN 25 0.964 0.869 -1.843
181 HA ASN 25 HA ASN 25 1.987 3.228 -0.392
182 HB2 ASN 25 HB2 ASN 25 2.394 2.366 -3.251
183 HB3 ASN 25 HB1 ASN 25 2.741 4.000 -2.704
184 HD21 ASN 25 HD21 ASN 25 3.364 0.638 -1.818
185 HD22 ASN 25 HD22 ASN 25 5.013 0.876 -1.383
186 H VAL 26 HN VAL 26 0.885 5.108 -0.472
187 HA VAL 26 HA VAL 26 -1.755 5.015 -1.668
188 HB VAL 26 HB VAL 26 -1.739 5.712 0.604
189 HG11 VAL 26 HG11 VAL 26 0.492 6.508 0.874
190 HG12 VAL 26 HG12 VAL 26 -0.625 7.796 1.328
191 HG13 VAL 26 HG13 VAL 26 0.196 7.851 -0.233
192 HG21 VAL 26 HG21 VAL 26 -2.211 8.384 -0.461
193 HG22 VAL 26 HG22 VAL 26 -3.313 7.263 0.341
194 HG23 VAL 26 HG23 VAL 26 -2.989 7.096 -1.383
195 H ILE 27 HN ILE 27 0.764 5.423 -3.252
196 HA ILE 27 HA ILE 27 0.463 8.142 -4.239
197 HB ILE 27 HB ILE 27 2.363 7.643 -5.688
198 HG12 ILE 27 HG12 ILE 27 3.425 5.257 -4.834
199 HG13 ILE 27 HG11 ILE 27 1.706 4.886 -4.911
200 HG21 ILE 27 HG21 ILE 27 2.616 6.977 -2.774
201 HG22 ILE 27 HG22 ILE 27 2.993 8.489 -3.599
202 HG23 ILE 27 HG23 ILE 27 4.024 7.077 -3.833
203 HD11 ILE 27 HD11 ILE 27 3.231 6.120 -7.185
204 HD12 ILE 27 HD12 ILE 27 1.610 5.426 -7.216
205 HD13 ILE 27 HD13 ILE 27 3.012 4.382 -6.980
Start of MODEL 6
1 H1 GLN 1 HT1 GLN 1 5.097 8.169 5.593
2 H2 GLN 1 HT2 GLN 1 6.669 8.669 5.121
3 H3 GLN 1 HT3 GLN 1 6.433 7.879 6.626
4 HA GLN 1 HA GLN 1 5.779 6.622 4.059
5 HB2 GLN 1 HB2 GLN 1 8.264 7.483 4.593
6 HB3 GLN 1 HB1 GLN 1 8.302 5.974 5.493
7 HG2 GLN 1 HG2 GLN 1 8.309 4.705 3.636
8 HG3 GLN 1 HG1 GLN 1 7.246 5.800 2.752
9 HE21 GLN 1 HE21 GLN 1 10.540 5.156 3.715
10 HE22 GLN 1 HE22 GLN 1 11.291 6.164 2.529
11 H LEU 2 HN LEU 2 4.551 4.918 4.485
12 HA LEU 2 HA LEU 2 5.031 3.407 6.961
13 HB2 LEU 2 HB2 LEU 2 2.884 5.000 6.728
14 HB3 LEU 2 HB1 LEU 2 2.246 3.562 5.953
15 HG LEU 2 HG LEU 2 2.991 2.303 8.062
16 HD11 LEU 2 HD11 LEU 2 3.504 5.121 8.827
17 HD12 LEU 2 HD12 LEU 2 4.333 3.642 9.313
18 HD13 LEU 2 HD13 LEU 2 2.781 4.061 10.037
19 HD21 LEU 2 HD21 LEU 2 0.885 4.171 8.901
20 HD22 LEU 2 HD22 LEU 2 0.856 2.414 8.756
21 HD23 LEU 2 HD23 LEU 2 0.632 3.420 7.326
22 H CYS 3 HN CYS 3 6.154 1.813 5.834
23 HA CYS 3 HA CYS 3 5.245 0.593 3.461
24 HB2 CYS 3 HB2 CYS 3 7.544 0.466 4.927
25 HB3 CYS 3 HB1 CYS 3 6.833 -1.107 5.268
26 H LEU 4 HN LEU 4 3.001 0.244 3.884
27 HA LEU 4 HA LEU 4 2.211 -1.649 5.908
28 HB2 LEU 4 HB2 LEU 4 0.909 0.196 4.073
29 HB3 LEU 4 HB1 LEU 4 0.083 -1.345 4.151
30 HG LEU 4 HG LEU 4 0.546 -0.730 6.816
31 HD11 LEU 4 HD11 LEU 4 1.214 1.531 6.230
32 HD12 LEU 4 HD12 LEU 4 -0.326 1.539 7.088
33 HD13 LEU 4 HD13 LEU 4 -0.290 1.761 5.339
34 HD21 LEU 4 HD21 LEU 4 -1.866 -0.383 6.908
35 HD22 LEU 4 HD22 LEU 4 -1.463 -1.751 5.871
36 HD23 LEU 4 HD23 LEU 4 -1.916 -0.205 5.154
37 H GLN 5 HN GLN 5 2.967 -3.675 5.542
38 HA GLN 5 HA GLN 5 3.634 -5.029 3.339
39 HB2 GLN 5 HB2 GLN 5 2.623 -7.110 4.442
40 HB3 GLN 5 HB1 GLN 5 3.816 -6.201 5.360
41 HG2 GLN 5 HG2 GLN 5 1.674 -4.994 6.297
42 HG3 GLN 5 HG1 GLN 5 0.895 -6.496 5.804
43 HE21 GLN 5 HE21 GLN 5 3.990 -5.633 7.319
44 HE22 GLN 5 HE22 GLN 5 3.845 -6.736 8.641
45 H CYS 6 HN CYS 6 2.747 -5.312 1.409
46 HA CYS 6 HA CYS 6 -0.178 -5.343 1.188
47 HB2 CYS 6 HB2 CYS 6 0.097 -4.699 -1.117
48 HB3 CYS 6 HB1 CYS 6 1.088 -3.636 -0.127
49 H ARG 7 HN ARG 7 -1.079 -6.784 -0.539
50 HA ARG 7 HA ARG 7 0.412 -9.319 -0.600
51 HB2 ARG 7 HB2 ARG 7 -2.457 -8.745 -0.026
52 HB3 ARG 7 HB1 ARG 7 -2.050 -10.254 -0.831
53 HG2 ARG 7 HG2 ARG 7 -0.420 -10.666 1.061
54 HG3 ARG 7 HG1 ARG 7 -1.193 -9.311 1.887
55 HD2 ARG 7 HD2 ARG 7 -3.268 -10.426 1.988
56 HD3 ARG 7 HD1 ARG 7 -2.759 -11.642 0.818
57 HE ARG 7 HE ARG 7 -1.855 -12.837 2.536
58 HH11 ARG 7 HH11 ARG 7 -2.239 -9.530 3.584
59 HH12 ARG 7 HH12 ARG 7 -1.760 -9.860 5.214
60 HH21 ARG 7 HH21 ARG 7 -1.225 -13.272 4.681
61 HH22 ARG 7 HH22 ARG 7 -1.184 -11.984 5.837
62 H SER 8 HN SER 8 -2.530 -8.162 -2.207
63 HA SER 8 HA SER 8 -1.546 -9.235 -4.725
64 HB2 SER 8 HB2 SER 8 -4.210 -8.282 -3.736
65 HB3 SER 8 HB1 SER 8 -3.915 -8.389 -5.471
66 HG SER 8 HG SER 8 -3.746 -10.533 -5.331
67 H ASN 9 HN ASN 9 -3.510 -6.315 -4.346
68 HA ASN 9 HA ASN 9 -1.378 -4.751 -5.615
69 HB2 ASN 9 HB2 ASN 9 -2.942 -5.459 -7.378
70 HB3 ASN 9 HB1 ASN 9 -4.274 -4.738 -6.480
71 HD21 ASN 9 HD21 ASN 9 -4.151 -2.414 -6.086
72 HD22 ASN 9 HD22 ASN 9 -3.416 -1.407 -7.282
73 H SER 10 HN SER 10 -4.535 -4.642 -4.022
74 HA SER 10 HA SER 10 -3.631 -2.275 -2.548
75 HB2 SER 10 HB2 SER 10 -5.722 -1.137 -2.862
76 HB3 SER 10 HB1 SER 10 -5.146 -1.619 -4.458
77 HG SER 10 HG SER 10 -7.174 -2.828 -2.896
78 H ASP 11 HN ASP 11 -3.531 -4.856 -1.586
79 HA ASP 11 HA ASP 11 -5.890 -5.467 -0.066
80 HB2 ASP 11 HB2 ASP 11 -4.035 -7.082 -0.943
81 HB3 ASP 11 HB1 ASP 11 -3.185 -6.622 0.529
82 H CYS 12 HN CYS 12 -5.515 -2.974 0.616
83 HA CYS 12 HA CYS 12 -4.629 -3.141 3.386
84 HB2 CYS 12 HB2 CYS 12 -3.390 -1.437 1.294
85 HB3 CYS 12 HB1 CYS 12 -3.647 -0.701 2.874
86 H ASN 13 HN ASN 13 -5.346 -0.226 1.527
87 HA ASN 13 HA ASN 13 -8.087 -0.101 2.329
88 HB2 ASN 13 HB2 ASN 13 -7.935 1.779 3.859
89 HB3 ASN 13 HB1 ASN 13 -6.959 0.449 4.473
90 HD21 ASN 13 HD21 ASN 13 -6.547 2.950 5.410
91 HD22 ASN 13 HD22 ASN 13 -5.037 3.563 4.837
92 H ILE 14 HN ILE 14 -9.026 2.128 1.800
93 HA ILE 14 HA ILE 14 -8.639 2.770 -0.832
94 HB ILE 14 HB ILE 14 -9.813 4.845 -0.466
95 HG12 ILE 14 HG12 ILE 14 -8.495 5.537 1.556
96 HG13 ILE 14 HG11 ILE 14 -10.230 5.788 1.707
97 HG21 ILE 14 HG21 ILE 14 -11.815 4.008 0.481
98 HG22 ILE 14 HG22 ILE 14 -10.939 2.848 1.480
99 HG23 ILE 14 HG23 ILE 14 -11.002 2.636 -0.270
100 HD11 ILE 14 HD11 ILE 14 -8.541 3.675 2.997
101 HD12 ILE 14 HD12 ILE 14 -10.301 3.581 2.937
102 HD13 ILE 14 HD13 ILE 14 -9.517 4.926 3.766
103 H ILE 15 HN ILE 15 -6.882 3.933 1.931
104 HA ILE 15 HA ILE 15 -5.507 6.076 0.724
105 HB ILE 15 HB ILE 15 -4.710 4.270 3.010
106 HG12 ILE 15 HG12 ILE 15 -5.717 7.104 3.103
107 HG13 ILE 15 HG11 ILE 15 -6.785 5.709 3.217
108 HG21 ILE 15 HG21 ILE 15 -2.723 5.248 2.123
109 HG22 ILE 15 HG22 ILE 15 -3.135 6.082 3.618
110 HG23 ILE 15 HG23 ILE 15 -3.473 6.841 2.063
111 HD11 ILE 15 HD11 ILE 15 -4.492 5.751 5.068
112 HD12 ILE 15 HD12 ILE 15 -6.162 5.243 5.331
113 HD13 ILE 15 HD13 ILE 15 -5.749 6.958 5.341
114 H TRP 16 HN TRP 16 -4.128 2.965 1.651
115 HA TRP 16 HA TRP 16 -2.188 3.212 -0.506
116 HB2 TRP 16 HB2 TRP 16 -2.241 1.206 1.748
117 HB3 TRP 16 HB1 TRP 16 -0.872 1.642 0.723
118 HD1 TRP 16 HD1 TRP 16 -0.137 4.333 0.947
119 HE1 TRP 16 HE1 TRP 16 0.029 5.778 3.035
120 HE3 TRP 16 HE3 TRP 16 -3.077 1.555 4.023
121 HZ2 TRP 16 HZ2 TRP 16 -0.953 5.741 5.695
122 HZ3 TRP 16 HZ3 TRP 16 -3.422 2.322 6.337
123 HH2 TRP 16 HH2 TRP 16 -2.383 4.375 7.150
124 H ARG 17 HN ARG 17 -2.800 2.408 -2.370
125 HA ARG 17 HA ARG 17 -3.966 -0.292 -2.417
126 HB2 ARG 17 HB2 ARG 17 -5.258 0.383 -4.417
127 HB3 ARG 17 HB1 ARG 17 -5.722 1.270 -2.972
128 HG2 ARG 17 HG2 ARG 17 -3.877 2.950 -3.962
129 HG3 ARG 17 HG1 ARG 17 -4.460 2.220 -5.459
130 HD2 ARG 17 HD2 ARG 17 -6.639 2.910 -3.677
131 HD3 ARG 17 HD1 ARG 17 -5.634 4.309 -4.052
132 HE ARG 17 HE ARG 17 -6.394 4.244 -6.214
133 HH11 ARG 17 HH11 ARG 17 -7.254 1.264 -4.612
134 HH12 ARG 17 HH12 ARG 17 -8.271 0.718 -5.902
135 HH21 ARG 17 HH21 ARG 17 -7.732 3.527 -7.911
136 HH22 ARG 17 HH22 ARG 17 -8.542 2.002 -7.775
137 H ILE 18 HN ILE 18 -1.249 1.356 -3.060
138 HA ILE 18 HA ILE 18 -0.724 -0.001 -5.614
139 HB ILE 18 HB ILE 18 1.060 2.041 -4.301
140 HG12 ILE 18 HG12 ILE 18 -1.195 3.015 -4.657
141 HG13 ILE 18 HG11 ILE 18 0.028 3.757 -5.684
142 HG21 ILE 18 HG21 ILE 18 1.857 0.481 -6.157
143 HG22 ILE 18 HG22 ILE 18 2.124 2.210 -6.381
144 HG23 ILE 18 HG23 ILE 18 0.800 1.407 -7.223
145 HD11 ILE 18 HD11 ILE 18 -0.799 2.750 -7.602
146 HD12 ILE 18 HD12 ILE 18 -2.252 3.182 -6.700
147 HD13 ILE 18 HD13 ILE 18 -1.674 1.516 -6.694
148 H CYS 19 HN CYS 19 -0.461 -2.064 -4.655
149 HA CYS 19 HA CYS 19 1.251 -2.609 -2.512
150 HB2 CYS 19 HB2 CYS 19 -0.347 -4.266 -3.165
151 HB3 CYS 19 HB1 CYS 19 0.294 -4.330 -4.802
152 H ARG 20 HN ARG 20 3.089 -1.272 -2.980
153 HA ARG 20 HA ARG 20 4.792 -1.951 -5.208
154 HB2 ARG 20 HB2 ARG 20 5.402 -0.217 -2.805
155 HB3 ARG 20 HB1 ARG 20 6.315 -0.278 -4.305
156 HG2 ARG 20 HG2 ARG 20 4.155 0.466 -5.444
157 HG3 ARG 20 HG1 ARG 20 3.592 0.872 -3.823
158 HD2 ARG 20 HD2 ARG 20 4.504 2.868 -4.610
159 HD3 ARG 20 HD1 ARG 20 5.786 2.187 -3.608
160 HE ARG 20 HE ARG 20 6.048 1.407 -6.335
161 HH11 ARG 20 HH11 ARG 20 6.610 4.048 -4.124
162 HH12 ARG 20 HH12 ARG 20 7.903 4.721 -5.061
163 HH21 ARG 20 HH21 ARG 20 7.747 2.290 -7.567
164 HH22 ARG 20 HH22 ARG 20 8.548 3.723 -7.015
165 H ASP 21 HN ASP 21 7.313 -1.756 -3.758
166 HA ASP 21 HA ASP 21 8.124 -4.290 -3.478
167 HB2 ASP 21 HB2 ASP 21 8.982 -2.094 -1.588
168 HB3 ASP 21 HB1 ASP 21 9.907 -3.530 -2.021
169 H GLY 22 HN GLY 22 6.100 -5.313 -2.661
170 HA2 GLY 22 HA2 GLY 22 5.002 -6.516 -1.051
171 HA3 GLY 22 HA1 GLY 22 6.482 -6.395 -0.113
172 H CYS 23 HN CYS 23 4.954 -3.434 -1.020
173 HA CYS 23 HA CYS 23 3.610 -3.271 1.585
174 HB2 CYS 23 HB2 CYS 23 5.645 -1.313 0.519
175 HB3 CYS 23 HB1 CYS 23 4.529 -0.927 1.825
176 H CYS 24 HN CYS 24 2.150 -1.383 1.752
177 HA CYS 24 HA CYS 24 0.782 -0.978 -0.800
178 HB2 CYS 24 HB2 CYS 24 -0.185 -0.310 1.987
179 HB3 CYS 24 HB1 CYS 24 -1.144 -0.304 0.511
180 H ASN 25 HN ASN 25 0.948 0.886 -1.865
181 HA ASN 25 HA ASN 25 1.896 3.246 -0.364
182 HB2 ASN 25 HB2 ASN 25 2.381 2.392 -3.205
183 HB3 ASN 25 HB1 ASN 25 2.640 4.051 -2.686
184 HD21 ASN 25 HD21 ASN 25 3.438 0.727 -1.822
185 HD22 ASN 25 HD22 ASN 25 5.051 1.058 -1.320
186 H VAL 26 HN VAL 26 0.763 5.102 -0.421
187 HA VAL 26 HA VAL 26 -1.842 5.017 -1.691
188 HB VAL 26 HB VAL 26 -1.835 5.660 0.623
189 HG11 VAL 26 HG11 VAL 26 -0.408 7.054 1.584
190 HG12 VAL 26 HG12 VAL 26 -0.654 8.289 0.349
191 HG13 VAL 26 HG13 VAL 26 0.504 6.988 0.074
192 HG21 VAL 26 HG21 VAL 26 -3.602 6.910 0.191
193 HG22 VAL 26 HG22 VAL 26 -3.022 7.156 -1.455
194 HG23 VAL 26 HG23 VAL 26 -2.563 8.286 -0.180
195 H ILE 27 HN ILE 27 0.423 5.320 -3.403
196 HA ILE 27 HA ILE 27 0.442 8.115 -4.204
197 HB ILE 27 HB ILE 27 2.555 6.861 -4.222
198 HG12 ILE 27 HG12 ILE 27 3.227 7.430 -6.583
199 HG13 ILE 27 HG11 ILE 27 1.533 7.777 -6.917
200 HG21 ILE 27 HG21 ILE 27 1.729 4.656 -4.763
201 HG22 ILE 27 HG22 ILE 27 2.941 5.144 -5.948
202 HG23 ILE 27 HG23 ILE 27 1.228 5.204 -6.362
203 HD11 ILE 27 HD11 ILE 27 3.254 9.658 -6.229
204 HD12 ILE 27 HD12 ILE 27 2.781 9.147 -4.608
205 HD13 ILE 27 HD13 ILE 27 1.560 9.717 -5.745
Start of MODEL 7
1 H1 GLN 1 HT1 GLN 1 6.771 7.653 7.004
2 H2 GLN 1 HT2 GLN 1 8.408 7.319 7.399
3 H3 GLN 1 HT3 GLN 1 7.142 6.705 8.382
4 HA GLN 1 HA GLN 1 7.429 6.020 5.544
5 HB2 GLN 1 HB2 GLN 1 9.453 5.506 7.062
6 HB3 GLN 1 HB1 GLN 1 8.399 4.339 7.847
7 HG2 GLN 1 HG2 GLN 1 8.505 2.889 6.138
8 HG3 GLN 1 HG1 GLN 1 8.495 4.163 4.918
9 HE21 GLN 1 HE21 GLN 1 10.624 3.090 7.554
10 HE22 GLN 1 HE22 GLN 1 12.079 3.134 6.623
11 H LEU 2 HN LEU 2 5.840 4.700 4.861
12 HA LEU 2 HA LEU 2 4.103 3.438 6.866
13 HB2 LEU 2 HB2 LEU 2 2.193 3.992 5.215
14 HB3 LEU 2 HB1 LEU 2 2.760 5.239 6.307
15 HG LEU 2 HG LEU 2 4.025 5.135 3.625
16 HD11 LEU 2 HD11 LEU 2 1.633 4.764 3.151
17 HD12 LEU 2 HD12 LEU 2 2.213 6.325 2.568
18 HD13 LEU 2 HD13 LEU 2 1.252 6.236 4.044
19 HD21 LEU 2 HD21 LEU 2 3.240 7.211 5.635
20 HD22 LEU 2 HD22 LEU 2 3.628 7.657 3.972
21 HD23 LEU 2 HD23 LEU 2 4.834 6.847 4.973
22 H CYS 3 HN CYS 3 6.039 1.993 5.711
23 HA CYS 3 HA CYS 3 5.288 0.783 3.245
24 HB2 CYS 3 HB2 CYS 3 7.595 0.843 4.612
25 HB3 CYS 3 HB1 CYS 3 6.999 -0.723 5.152
26 H LEU 4 HN LEU 4 2.983 0.553 4.110
27 HA LEU 4 HA LEU 4 2.349 -1.494 5.952
28 HB2 LEU 4 HB2 LEU 4 0.936 0.284 4.134
29 HB3 LEU 4 HB1 LEU 4 0.193 -1.300 4.211
30 HG LEU 4 HG LEU 4 0.549 -0.779 6.857
31 HD11 LEU 4 HD11 LEU 4 -0.548 1.816 6.003
32 HD12 LEU 4 HD12 LEU 4 1.195 1.621 5.813
33 HD13 LEU 4 HD13 LEU 4 0.451 1.406 7.397
34 HD21 LEU 4 HD21 LEU 4 -1.843 -0.275 6.885
35 HD22 LEU 4 HD22 LEU 4 -1.479 -1.612 5.793
36 HD23 LEU 4 HD23 LEU 4 -1.807 -0.005 5.141
37 H GLN 5 HN GLN 5 2.991 -3.549 5.638
38 HA GLN 5 HA GLN 5 3.746 -4.821 3.363
39 HB2 GLN 5 HB2 GLN 5 2.675 -5.701 5.953
40 HB3 GLN 5 HB1 GLN 5 2.490 -6.875 4.657
41 HG2 GLN 5 HG2 GLN 5 4.533 -7.480 5.444
42 HG3 GLN 5 HG1 GLN 5 5.015 -6.304 4.222
43 HE21 GLN 5 HE21 GLN 5 3.792 -6.036 7.544
44 HE22 GLN 5 HE22 GLN 5 5.086 -5.048 8.121
45 H CYS 6 HN CYS 6 2.803 -5.132 1.465
46 HA CYS 6 HA CYS 6 -0.123 -5.267 1.343
47 HB2 CYS 6 HB2 CYS 6 0.060 -4.645 -0.978
48 HB3 CYS 6 HB1 CYS 6 1.048 -3.541 -0.029
49 H ARG 7 HN ARG 7 -0.837 -6.644 -0.698
50 HA ARG 7 HA ARG 7 0.649 -9.174 -0.656
51 HB2 ARG 7 HB2 ARG 7 -2.208 -8.686 0.013
52 HB3 ARG 7 HB1 ARG 7 -1.812 -10.160 -0.860
53 HG2 ARG 7 HG2 ARG 7 -0.378 -10.903 0.891
54 HG3 ARG 7 HG1 ARG 7 -0.489 -9.348 1.717
55 HD2 ARG 7 HD2 ARG 7 -1.896 -11.139 2.725
56 HD3 ARG 7 HD1 ARG 7 -2.798 -9.709 2.227
57 HE ARG 7 HE ARG 7 -3.917 -10.987 0.691
58 HH11 ARG 7 HH11 ARG 7 -1.118 -12.748 1.807
59 HH12 ARG 7 HH12 ARG 7 -1.573 -14.219 1.015
60 HH21 ARG 7 HH21 ARG 7 -4.516 -12.921 -0.351
61 HH22 ARG 7 HH22 ARG 7 -3.502 -14.318 -0.211
62 H SER 8 HN SER 8 -2.329 -8.021 -2.206
63 HA SER 8 HA SER 8 -1.347 -9.056 -4.751
64 HB2 SER 8 HB2 SER 8 -4.055 -8.252 -3.731
65 HB3 SER 8 HB1 SER 8 -3.766 -8.405 -5.464
66 HG SER 8 HG SER 8 -4.528 -10.335 -4.222
67 H ASN 9 HN ASN 9 -3.512 -6.288 -4.348
68 HA ASN 9 HA ASN 9 -1.499 -4.567 -5.610
69 HB2 ASN 9 HB2 ASN 9 -3.057 -5.422 -7.346
70 HB3 ASN 9 HB1 ASN 9 -4.395 -4.697 -6.460
71 HD21 ASN 9 HD21 ASN 9 -4.313 -2.361 -6.139
72 HD22 ASN 9 HD22 ASN 9 -3.604 -1.378 -7.370
73 H SER 10 HN SER 10 -4.615 -4.717 -3.950
74 HA SER 10 HA SER 10 -3.905 -2.239 -2.550
75 HB2 SER 10 HB2 SER 10 -6.150 -1.375 -2.763
76 HB3 SER 10 HB1 SER 10 -5.559 -1.768 -4.378
77 HG SER 10 HG SER 10 -7.651 -2.828 -2.976
78 H ASP 11 HN ASP 11 -3.472 -4.774 -1.554
79 HA ASP 11 HA ASP 11 -5.673 -5.604 0.096
80 HB2 ASP 11 HB2 ASP 11 -2.818 -6.461 -0.229
81 HB3 ASP 11 HB1 ASP 11 -3.735 -7.002 1.174
82 H CYS 12 HN CYS 12 -5.529 -3.068 0.716
83 HA CYS 12 HA CYS 12 -4.557 -3.087 3.454
84 HB2 CYS 12 HB2 CYS 12 -3.415 -1.418 1.297
85 HB3 CYS 12 HB1 CYS 12 -3.755 -0.588 2.811
86 H ASN 13 HN ASN 13 -5.500 -0.326 1.459
87 HA ASN 13 HA ASN 13 -8.207 -0.315 2.387
88 HB2 ASN 13 HB2 ASN 13 -8.111 1.685 3.755
89 HB3 ASN 13 HB1 ASN 13 -7.013 0.477 4.414
90 HD21 ASN 13 HD21 ASN 13 -6.377 2.674 5.399
91 HD22 ASN 13 HD22 ASN 13 -5.090 3.497 4.595
92 H ILE 14 HN ILE 14 -8.942 2.259 2.052
93 HA ILE 14 HA ILE 14 -8.855 2.567 -0.770
94 HB ILE 14 HB ILE 14 -9.793 4.627 1.222
95 HG12 ILE 14 HG12 ILE 14 -12.054 3.358 0.380
96 HG13 ILE 14 HG11 ILE 14 -10.923 2.011 0.451
97 HG21 ILE 14 HG21 ILE 14 -11.453 4.847 -0.861
98 HG22 ILE 14 HG22 ILE 14 -10.018 4.261 -1.703
99 HG23 ILE 14 HG23 ILE 14 -9.936 5.739 -0.744
100 HD11 ILE 14 HD11 ILE 14 -12.321 3.284 2.567
101 HD12 ILE 14 HD12 ILE 14 -10.590 3.513 2.816
102 HD13 ILE 14 HD13 ILE 14 -11.247 1.887 2.629
103 H ILE 15 HN ILE 15 -6.896 3.782 1.791
104 HA ILE 15 HA ILE 15 -5.887 6.065 0.362
105 HB ILE 15 HB ILE 15 -4.316 4.859 2.583
106 HG12 ILE 15 HG12 ILE 15 -6.956 6.281 2.982
107 HG13 ILE 15 HG11 ILE 15 -6.606 4.607 3.391
108 HG21 ILE 15 HG21 ILE 15 -4.523 7.367 1.228
109 HG22 ILE 15 HG22 ILE 15 -3.331 6.836 2.416
110 HG23 ILE 15 HG23 ILE 15 -4.826 7.601 2.949
111 HD11 ILE 15 HD11 ILE 15 -5.915 7.087 4.812
112 HD12 ILE 15 HD12 ILE 15 -4.687 5.820 4.809
113 HD13 ILE 15 HD13 ILE 15 -6.301 5.483 5.437
114 H TRP 16 HN TRP 16 -4.366 3.065 1.459
115 HA TRP 16 HA TRP 16 -2.345 3.360 -0.632
116 HB2 TRP 16 HB2 TRP 16 -2.359 1.400 1.667
117 HB3 TRP 16 HB1 TRP 16 -0.985 1.886 0.670
118 HD1 TRP 16 HD1 TRP 16 -0.495 4.676 0.829
119 HE1 TRP 16 HE1 TRP 16 -0.414 6.135 2.944
120 HE3 TRP 16 HE3 TRP 16 -3.105 1.648 3.964
121 HZ2 TRP 16 HZ2 TRP 16 -1.337 6.003 5.610
122 HZ3 TRP 16 HZ3 TRP 16 -3.478 2.376 6.287
123 HH2 TRP 16 HH2 TRP 16 -2.610 4.512 7.087
124 H ARG 17 HN ARG 17 -3.112 2.563 -2.479
125 HA ARG 17 HA ARG 17 -4.102 -0.214 -2.452
126 HB2 ARG 17 HB2 ARG 17 -4.856 1.552 -4.713
127 HB3 ARG 17 HB1 ARG 17 -5.769 0.267 -3.936
128 HG2 ARG 17 HG2 ARG 17 -6.356 1.699 -2.111
129 HG3 ARG 17 HG1 ARG 17 -5.282 2.969 -2.704
130 HD2 ARG 17 HD2 ARG 17 -7.305 3.720 -3.488
131 HD3 ARG 17 HD1 ARG 17 -6.752 2.770 -4.866
132 HE ARG 17 HE ARG 17 -8.266 1.141 -3.134
133 HH11 ARG 17 HH11 ARG 17 -8.648 3.754 -5.416
134 HH12 ARG 17 HH12 ARG 17 -10.269 3.314 -5.838
135 HH21 ARG 17 HH21 ARG 17 -10.397 0.562 -3.688
136 HH22 ARG 17 HH22 ARG 17 -11.263 1.502 -4.856
137 H ILE 18 HN ILE 18 -1.393 1.290 -3.012
138 HA ILE 18 HA ILE 18 -0.862 -0.014 -5.598
139 HB ILE 18 HB ILE 18 0.797 2.134 -4.280
140 HG12 ILE 18 HG12 ILE 18 -1.381 3.063 -4.835
141 HG13 ILE 18 HG11 ILE 18 -0.177 3.666 -5.969
142 HG21 ILE 18 HG21 ILE 18 2.207 1.049 -5.749
143 HG22 ILE 18 HG22 ILE 18 1.543 2.329 -6.764
144 HG23 ILE 18 HG23 ILE 18 0.912 0.687 -6.890
145 HD11 ILE 18 HD11 ILE 18 -1.080 1.481 -7.286
146 HD12 ILE 18 HD12 ILE 18 -1.706 3.115 -7.503
147 HD13 ILE 18 HD13 ILE 18 -2.533 1.990 -6.426
148 H CYS 19 HN CYS 19 -0.575 -2.056 -4.600
149 HA CYS 19 HA CYS 19 1.165 -2.547 -2.465
150 HB2 CYS 19 HB2 CYS 19 -0.433 -4.226 -3.072
151 HB3 CYS 19 HB1 CYS 19 0.199 -4.322 -4.711
152 H ARG 20 HN ARG 20 2.995 -1.225 -2.959
153 HA ARG 20 HA ARG 20 4.661 -1.891 -5.216
154 HB2 ARG 20 HB2 ARG 20 4.371 0.380 -3.822
155 HB3 ARG 20 HB1 ARG 20 5.739 -0.296 -2.947
156 HG2 ARG 20 HG2 ARG 20 6.918 0.809 -4.511
157 HG3 ARG 20 HG1 ARG 20 6.593 -0.636 -5.471
158 HD2 ARG 20 HD2 ARG 20 5.108 0.425 -6.816
159 HD3 ARG 20 HD1 ARG 20 4.530 1.479 -5.527
160 HE ARG 20 HE ARG 20 5.993 3.058 -6.262
161 HH11 ARG 20 HH11 ARG 20 7.145 -0.061 -7.324
162 HH12 ARG 20 HH12 ARG 20 8.470 0.596 -8.224
163 HH21 ARG 20 HH21 ARG 20 7.735 3.924 -7.446
164 HH22 ARG 20 HH22 ARG 20 8.805 2.858 -8.293
165 H ASP 21 HN ASP 21 7.203 -1.675 -3.828
166 HA ASP 21 HA ASP 21 8.041 -4.205 -3.561
167 HB2 ASP 21 HB2 ASP 21 9.320 -1.961 -3.260
168 HB3 ASP 21 HB1 ASP 21 9.025 -2.216 -1.543
169 H GLY 22 HN GLY 22 6.055 -5.240 -2.678
170 HA2 GLY 22 HA2 GLY 22 5.019 -6.443 -1.026
171 HA3 GLY 22 HA1 GLY 22 6.522 -6.290 -0.129
172 H CYS 23 HN CYS 23 4.954 -3.356 -1.028
173 HA CYS 23 HA CYS 23 3.670 -3.174 1.607
174 HB2 CYS 23 HB2 CYS 23 5.663 -1.226 0.455
175 HB3 CYS 23 HB1 CYS 23 4.560 -0.799 1.757
176 H CYS 24 HN CYS 24 2.271 -1.185 1.767
177 HA CYS 24 HA CYS 24 0.775 -0.901 -0.734
178 HB2 CYS 24 HB2 CYS 24 -0.036 -0.154 2.085
179 HB3 CYS 24 HB1 CYS 24 -1.069 -0.098 0.662
180 H ASN 25 HN ASN 25 0.801 0.943 -1.855
181 HA ASN 25 HA ASN 25 1.847 3.341 -0.491
182 HB2 ASN 25 HB2 ASN 25 2.234 2.430 -3.339
183 HB3 ASN 25 HB1 ASN 25 2.594 4.064 -2.807
184 HD21 ASN 25 HD21 ASN 25 3.210 0.704 -1.910
185 HD22 ASN 25 HD22 ASN 25 4.863 0.938 -1.487
186 H VAL 26 HN VAL 26 0.937 5.338 -0.994
187 HA VAL 26 HA VAL 26 -1.869 5.193 -1.625
188 HB VAL 26 HB VAL 26 -1.139 7.919 -1.477
189 HG11 VAL 26 HG11 VAL 26 -2.417 6.008 0.446
190 HG12 VAL 26 HG12 VAL 26 -3.203 7.102 -0.691
191 HG13 VAL 26 HG13 VAL 26 -2.346 7.750 0.709
192 HG21 VAL 26 HG21 VAL 26 0.040 8.099 0.630
193 HG22 VAL 26 HG22 VAL 26 1.027 7.212 -0.530
194 HG23 VAL 26 HG23 VAL 26 0.170 6.346 0.742
195 H ILE 27 HN ILE 27 0.884 5.537 -3.452
196 HA ILE 27 HA ILE 27 0.542 7.448 -5.329
197 HB ILE 27 HB ILE 27 1.493 4.629 -5.485
198 HG12 ILE 27 HG12 ILE 27 3.111 6.986 -6.304
199 HG13 ILE 27 HG11 ILE 27 2.687 6.851 -4.602
200 HG21 ILE 27 HG21 ILE 27 1.108 6.471 -7.830
201 HG22 ILE 27 HG22 ILE 27 0.630 4.782 -7.666
202 HG23 ILE 27 HG23 ILE 27 2.334 5.203 -7.834
203 HD11 ILE 27 HD11 ILE 27 4.254 4.905 -6.266
204 HD12 ILE 27 HD12 ILE 27 3.651 4.539 -4.650
205 HD13 ILE 27 HD13 ILE 27 4.809 5.848 -4.884
Start of MODEL 8
1 H1 GLN 1 HT1 GLN 1 6.403 8.151 6.034
2 H2 GLN 1 HT2 GLN 1 4.715 7.998 5.765
3 H3 GLN 1 HT3 GLN 1 5.702 8.797 4.609
4 HA GLN 1 HA GLN 1 5.249 6.713 3.749
5 HB2 GLN 1 HB2 GLN 1 7.717 7.689 4.052
6 HB3 GLN 1 HB1 GLN 1 7.922 6.195 4.957
7 HG2 GLN 1 HG2 GLN 1 8.427 5.291 2.988
8 HG3 GLN 1 HG1 GLN 1 6.689 5.315 2.690
9 HE21 GLN 1 HE21 GLN 1 9.719 6.423 1.693
10 HE22 GLN 1 HE22 GLN 1 9.189 7.534 0.480
11 H LEU 2 HN LEU 2 4.233 4.875 4.192
12 HA LEU 2 HA LEU 2 4.939 3.418 6.646
13 HB2 LEU 2 HB2 LEU 2 2.296 4.424 5.771
14 HB3 LEU 2 HB1 LEU 2 2.325 2.796 6.422
15 HG LEU 2 HG LEU 2 3.626 3.895 8.403
16 HD11 LEU 2 HD11 LEU 2 2.139 6.265 7.283
17 HD12 LEU 2 HD12 LEU 2 3.892 6.078 7.324
18 HD13 LEU 2 HD13 LEU 2 2.983 6.198 8.830
19 HD21 LEU 2 HD21 LEU 2 1.533 4.265 9.559
20 HD22 LEU 2 HD22 LEU 2 1.400 2.847 8.520
21 HD23 LEU 2 HD23 LEU 2 0.673 4.375 8.024
22 H CYS 3 HN CYS 3 5.980 1.703 5.806
23 HA CYS 3 HA CYS 3 5.272 0.477 3.338
24 HB2 CYS 3 HB2 CYS 3 7.523 0.470 4.799
25 HB3 CYS 3 HB1 CYS 3 6.843 -1.064 5.332
26 H LEU 4 HN LEU 4 2.927 0.357 4.111
27 HA LEU 4 HA LEU 4 2.167 -1.664 5.954
28 HB2 LEU 4 HB2 LEU 4 0.863 0.211 4.146
29 HB3 LEU 4 HB1 LEU 4 0.028 -1.327 4.224
30 HG LEU 4 HG LEU 4 0.559 -0.691 6.889
31 HD11 LEU 4 HD11 LEU 4 0.269 1.509 7.262
32 HD12 LEU 4 HD12 LEU 4 -0.846 1.703 5.910
33 HD13 LEU 4 HD13 LEU 4 0.893 1.665 5.621
34 HD21 LEU 4 HD21 LEU 4 -1.975 -0.241 5.320
35 HD22 LEU 4 HD22 LEU 4 -1.842 -0.492 7.061
36 HD23 LEU 4 HD23 LEU 4 -1.432 -1.798 5.946
37 H GLN 5 HN GLN 5 3.037 -3.644 5.496
38 HA GLN 5 HA GLN 5 3.646 -4.950 3.268
39 HB2 GLN 5 HB2 GLN 5 2.552 -5.815 5.841
40 HB3 GLN 5 HB1 GLN 5 2.290 -6.971 4.542
41 HG2 GLN 5 HG2 GLN 5 4.923 -5.851 5.464
42 HG3 GLN 5 HG1 GLN 5 4.332 -7.499 5.673
43 HE21 GLN 5 HE21 GLN 5 6.509 -5.841 4.053
44 HE22 GLN 5 HE22 GLN 5 6.548 -6.700 2.555
45 H CYS 6 HN CYS 6 2.757 -5.423 1.383
46 HA CYS 6 HA CYS 6 -0.180 -5.474 1.195
47 HB2 CYS 6 HB2 CYS 6 0.039 -4.812 -1.115
48 HB3 CYS 6 HB1 CYS 6 0.993 -3.713 -0.126
49 H ARG 7 HN ARG 7 -0.946 -6.855 -0.744
50 HA ARG 7 HA ARG 7 0.586 -9.359 -0.836
51 HB2 ARG 7 HB2 ARG 7 -2.258 -8.924 -0.062
52 HB3 ARG 7 HB1 ARG 7 -1.854 -10.385 -0.953
53 HG2 ARG 7 HG2 ARG 7 0.006 -10.620 0.871
54 HG3 ARG 7 HG1 ARG 7 -1.056 -9.553 1.792
55 HD2 ARG 7 HD2 ARG 7 -2.662 -11.132 2.031
56 HD3 ARG 7 HD1 ARG 7 -2.345 -11.846 0.449
57 HE ARG 7 HE ARG 7 -1.204 -12.631 2.960
58 HH11 ARG 7 HH11 ARG 7 -0.714 -12.580 -0.494
59 HH12 ARG 7 HH12 ARG 7 0.367 -13.933 -0.486
60 HH21 ARG 7 HH21 ARG 7 0.218 -14.410 2.973
61 HH22 ARG 7 HH22 ARG 7 0.896 -14.972 1.482
62 H SER 8 HN SER 8 -2.394 -8.034 -2.251
63 HA SER 8 HA SER 8 -1.574 -9.096 -4.847
64 HB2 SER 8 HB2 SER 8 -4.211 -8.060 -3.804
65 HB3 SER 8 HB1 SER 8 -3.945 -8.440 -5.505
66 HG SER 8 HG SER 8 -4.141 -10.475 -5.041
67 H ASN 9 HN ASN 9 -3.535 -6.214 -4.225
68 HA ASN 9 HA ASN 9 -1.495 -4.554 -5.504
69 HB2 ASN 9 HB2 ASN 9 -3.095 -5.308 -7.257
70 HB3 ASN 9 HB1 ASN 9 -4.396 -4.542 -6.351
71 HD21 ASN 9 HD21 ASN 9 -4.218 -2.223 -5.986
72 HD22 ASN 9 HD22 ASN 9 -3.461 -1.246 -7.193
73 H SER 10 HN SER 10 -4.664 -4.594 -3.928
74 HA SER 10 HA SER 10 -3.854 -2.199 -2.431
75 HB2 SER 10 HB2 SER 10 -5.440 -1.422 -4.071
76 HB3 SER 10 HB1 SER 10 -6.551 -2.737 -3.692
77 HG SER 10 HG SER 10 -5.748 -0.840 -1.757
78 H ASP 11 HN ASP 11 -3.498 -4.785 -1.503
79 HA ASP 11 HA ASP 11 -5.705 -5.595 0.137
80 HB2 ASP 11 HB2 ASP 11 -3.585 -6.933 -0.811
81 HB3 ASP 11 HB1 ASP 11 -2.950 -6.511 0.776
82 H CYS 12 HN CYS 12 -5.545 -3.068 0.776
83 HA CYS 12 HA CYS 12 -4.668 -3.106 3.533
84 HB2 CYS 12 HB2 CYS 12 -3.419 -1.376 1.440
85 HB3 CYS 12 HB1 CYS 12 -3.615 -0.736 3.068
86 H ASN 13 HN ASN 13 -5.338 -0.289 1.502
87 HA ASN 13 HA ASN 13 -8.096 -0.130 2.184
88 HB2 ASN 13 HB2 ASN 13 -8.028 1.789 3.674
89 HB3 ASN 13 HB1 ASN 13 -7.090 0.474 4.373
90 HD21 ASN 13 HD21 ASN 13 -6.717 2.980 5.284
91 HD22 ASN 13 HD22 ASN 13 -5.180 3.585 4.778
92 H ILE 14 HN ILE 14 -8.969 2.149 1.616
93 HA ILE 14 HA ILE 14 -8.466 2.709 -1.033
94 HB ILE 14 HB ILE 14 -9.398 4.745 0.993
95 HG12 ILE 14 HG12 ILE 14 -10.772 2.767 1.209
96 HG13 ILE 14 HG11 ILE 14 -11.690 3.996 0.343
97 HG21 ILE 14 HG21 ILE 14 -10.690 5.571 -1.041
98 HG22 ILE 14 HG22 ILE 14 -9.609 4.557 -1.996
99 HG23 ILE 14 HG23 ILE 14 -8.951 5.869 -1.018
100 HD11 ILE 14 HD11 ILE 14 -12.071 1.901 -0.711
101 HD12 ILE 14 HD12 ILE 14 -10.341 1.573 -0.814
102 HD13 ILE 14 HD13 ILE 14 -11.054 2.864 -1.781
103 H ILE 15 HN ILE 15 -6.895 3.967 1.811
104 HA ILE 15 HA ILE 15 -5.446 6.078 0.663
105 HB ILE 15 HB ILE 15 -4.740 4.271 2.980
106 HG12 ILE 15 HG12 ILE 15 -5.822 7.081 3.004
107 HG13 ILE 15 HG11 ILE 15 -6.841 5.650 3.126
108 HG21 ILE 15 HG21 ILE 15 -3.218 6.098 3.663
109 HG22 ILE 15 HG22 ILE 15 -3.505 6.870 2.105
110 HG23 ILE 15 HG23 ILE 15 -2.733 5.289 2.177
111 HD11 ILE 15 HD11 ILE 15 -4.615 5.754 5.032
112 HD12 ILE 15 HD12 ILE 15 -6.303 5.303 5.274
113 HD13 ILE 15 HD13 ILE 15 -5.842 7.004 5.235
114 H TRP 16 HN TRP 16 -4.111 2.966 1.653
115 HA TRP 16 HA TRP 16 -2.080 3.212 -0.423
116 HB2 TRP 16 HB2 TRP 16 -2.200 1.226 1.847
117 HB3 TRP 16 HB1 TRP 16 -0.796 1.676 0.876
118 HD1 TRP 16 HD1 TRP 16 -0.094 4.366 1.110
119 HE1 TRP 16 HE1 TRP 16 -0.048 5.838 3.185
120 HE3 TRP 16 HE3 TRP 16 -3.159 1.597 4.074
121 HZ2 TRP 16 HZ2 TRP 16 -1.159 5.825 5.795
122 HZ3 TRP 16 HZ3 TRP 16 -3.627 2.389 6.358
123 HH2 TRP 16 HH2 TRP 16 -2.648 4.462 7.194
124 H ARG 17 HN ARG 17 -2.931 2.518 -2.286
125 HA ARG 17 HA ARG 17 -3.944 -0.244 -2.356
126 HB2 ARG 17 HB2 ARG 17 -5.119 0.536 -4.492
127 HB3 ARG 17 HB1 ARG 17 -5.782 1.082 -2.958
128 HG2 ARG 17 HG2 ARG 17 -5.252 3.245 -3.340
129 HG3 ARG 17 HG1 ARG 17 -3.785 2.843 -4.233
130 HD2 ARG 17 HD2 ARG 17 -5.185 3.716 -5.871
131 HD3 ARG 17 HD1 ARG 17 -5.387 1.974 -6.050
132 HE ARG 17 HE ARG 17 -7.360 2.779 -4.308
133 HH11 ARG 17 HH11 ARG 17 -6.438 3.521 -7.592
134 HH12 ARG 17 HH12 ARG 17 -8.054 3.879 -8.097
135 HH21 ARG 17 HH21 ARG 17 -9.487 3.249 -4.971
136 HH22 ARG 17 HH22 ARG 17 -9.786 3.726 -6.610
137 H ILE 18 HN ILE 18 -1.240 1.393 -2.935
138 HA ILE 18 HA ILE 18 -0.692 0.129 -5.530
139 HB ILE 18 HB ILE 18 1.050 2.137 -4.108
140 HG12 ILE 18 HG12 ILE 18 -1.191 3.102 -4.547
141 HG13 ILE 18 HG11 ILE 18 0.069 3.868 -5.510
142 HG21 ILE 18 HG21 ILE 18 1.045 0.828 -6.777
143 HG22 ILE 18 HG22 ILE 18 2.393 1.204 -5.703
144 HG23 ILE 18 HG23 ILE 18 1.640 2.485 -6.653
145 HD11 ILE 18 HD11 ILE 18 -2.285 2.382 -6.347
146 HD12 ILE 18 HD12 ILE 18 -0.807 1.869 -7.161
147 HD13 ILE 18 HD13 ILE 18 -1.310 3.559 -7.226
148 H CYS 19 HN CYS 19 -0.472 -1.970 -4.604
149 HA CYS 19 HA CYS 19 1.228 -2.600 -2.481
150 HB2 CYS 19 HB2 CYS 19 -0.381 -4.219 -3.214
151 HB3 CYS 19 HB1 CYS 19 0.295 -4.244 -4.837
152 H ARG 20 HN ARG 20 3.074 -1.263 -2.880
153 HA ARG 20 HA ARG 20 4.791 -1.847 -5.120
154 HB2 ARG 20 HB2 ARG 20 4.482 0.362 -3.625
155 HB3 ARG 20 HB1 ARG 20 5.832 -0.364 -2.763
156 HG2 ARG 20 HG2 ARG 20 6.744 -0.590 -5.269
157 HG3 ARG 20 HG1 ARG 20 5.717 0.832 -5.458
158 HD2 ARG 20 HD2 ARG 20 7.457 0.811 -3.080
159 HD3 ARG 20 HD1 ARG 20 8.285 0.922 -4.632
160 HE ARG 20 HE ARG 20 6.101 2.762 -4.385
161 HH11 ARG 20 HH11 ARG 20 9.475 2.244 -3.657
162 HH12 ARG 20 HH12 ARG 20 9.846 3.934 -3.577
163 HH21 ARG 20 HH21 ARG 20 6.587 4.985 -4.281
164 HH22 ARG 20 HH22 ARG 20 8.207 5.490 -3.931
165 H ASP 21 HN ASP 21 7.298 -1.707 -3.650
166 HA ASP 21 HA ASP 21 8.113 -4.253 -3.475
167 HB2 ASP 21 HB2 ASP 21 9.320 -1.945 -2.953
168 HB3 ASP 21 HB1 ASP 21 9.106 -2.488 -1.291
169 H GLY 22 HN GLY 22 6.096 -5.311 -2.692
170 HA2 GLY 22 HA2 GLY 22 5.007 -6.575 -1.123
171 HA3 GLY 22 HA1 GLY 22 6.486 -6.479 -0.183
172 H CYS 23 HN CYS 23 4.933 -3.504 -1.000
173 HA CYS 23 HA CYS 23 3.589 -3.423 1.606
174 HB2 CYS 23 HB2 CYS 23 5.660 -1.468 0.619
175 HB3 CYS 23 HB1 CYS 23 4.505 -1.059 1.883
176 H CYS 24 HN CYS 24 2.198 -1.440 1.820
177 HA CYS 24 HA CYS 24 0.802 -1.007 -0.717
178 HB2 CYS 24 HB2 CYS 24 -0.115 -0.410 2.105
179 HB3 CYS 24 HB1 CYS 24 -1.088 -0.256 0.649
180 H ASN 25 HN ASN 25 0.956 0.877 -1.754
181 HA ASN 25 HA ASN 25 1.947 3.202 -0.226
182 HB2 ASN 25 HB2 ASN 25 2.447 2.401 -3.086
183 HB3 ASN 25 HB1 ASN 25 2.789 4.016 -2.486
184 HD21 ASN 25 HD21 ASN 25 3.374 0.620 -1.730
185 HD22 ASN 25 HD22 ASN 25 5.001 0.834 -1.208
186 H VAL 26 HN VAL 26 0.841 5.076 -0.289
187 HA VAL 26 HA VAL 26 -1.734 5.037 -1.621
188 HB VAL 26 HB VAL 26 -1.777 5.668 0.699
189 HG11 VAL 26 HG11 VAL 26 -0.405 7.096 1.706
190 HG12 VAL 26 HG12 VAL 26 -0.533 8.283 0.409
191 HG13 VAL 26 HG13 VAL 26 0.592 6.934 0.260
192 HG21 VAL 26 HG21 VAL 26 -2.465 8.301 -0.101
193 HG22 VAL 26 HG22 VAL 26 -3.525 6.926 0.214
194 HG23 VAL 26 HG23 VAL 26 -2.887 7.193 -1.407
195 H ILE 27 HN ILE 27 0.554 5.308 -3.285
196 HA ILE 27 HA ILE 27 0.656 8.109 -4.062
197 HB ILE 27 HB ILE 27 2.737 6.801 -4.058
198 HG12 ILE 27 HG12 ILE 27 2.153 7.386 -6.942
199 HG13 ILE 27 HG11 ILE 27 2.131 8.695 -5.763
200 HG21 ILE 27 HG21 ILE 27 1.392 5.189 -6.220
201 HG22 ILE 27 HG22 ILE 27 1.872 4.621 -4.622
202 HG23 ILE 27 HG23 ILE 27 3.101 5.087 -5.797
203 HD11 ILE 27 HD11 ILE 27 4.299 8.128 -7.095
204 HD12 ILE 27 HD12 ILE 27 4.486 6.879 -5.863
205 HD13 ILE 27 HD13 ILE 27 4.386 8.575 -5.392
Start of MODEL 9
1 H1 GLN 1 HT1 GLN 1 6.643 7.147 4.905
2 H2 GLN 1 HT2 GLN 1 7.906 7.663 5.947
3 H3 GLN 1 HT3 GLN 1 6.309 7.485 6.553
4 HA GLN 1 HA GLN 1 7.827 5.257 5.397
5 HB2 GLN 1 HB2 GLN 1 7.998 6.568 8.060
6 HB3 GLN 1 HB1 GLN 1 7.986 4.810 8.039
7 HG2 GLN 1 HG2 GLN 1 9.897 4.862 6.467
8 HG3 GLN 1 HG1 GLN 1 9.941 6.616 6.637
9 HE21 GLN 1 HE21 GLN 1 12.203 5.599 7.243
10 HE22 GLN 1 HE22 GLN 1 12.461 5.432 8.943
11 H LEU 2 HN LEU 2 5.779 4.596 4.542
12 HA LEU 2 HA LEU 2 4.035 3.425 6.598
13 HB2 LEU 2 HB2 LEU 2 2.141 3.866 4.900
14 HB3 LEU 2 HB1 LEU 2 2.691 5.184 5.916
15 HG LEU 2 HG LEU 2 3.999 4.932 3.270
16 HD11 LEU 2 HD11 LEU 2 1.440 6.384 3.214
17 HD12 LEU 2 HD12 LEU 2 1.322 4.624 3.230
18 HD13 LEU 2 HD13 LEU 2 2.240 5.436 1.961
19 HD21 LEU 2 HD21 LEU 2 2.823 7.437 4.328
20 HD22 LEU 2 HD22 LEU 2 4.366 7.159 3.521
21 HD23 LEU 2 HD23 LEU 2 4.172 6.735 5.222
22 H CYS 3 HN CYS 3 6.002 1.937 5.546
23 HA CYS 3 HA CYS 3 5.290 0.578 3.148
24 HB2 CYS 3 HB2 CYS 3 7.566 0.729 4.621
25 HB3 CYS 3 HB1 CYS 3 6.979 -0.860 5.100
26 H LEU 4 HN LEU 4 2.981 0.370 3.978
27 HA LEU 4 HA LEU 4 2.359 -1.601 5.925
28 HB2 LEU 4 HB2 LEU 4 0.949 0.201 4.179
29 HB3 LEU 4 HB1 LEU 4 0.210 -1.386 4.117
30 HG LEU 4 HG LEU 4 0.473 -1.073 6.800
31 HD11 LEU 4 HD11 LEU 4 -0.564 1.599 6.124
32 HD12 LEU 4 HD12 LEU 4 1.182 1.394 5.983
33 HD13 LEU 4 HD13 LEU 4 0.377 1.061 7.515
34 HD21 LEU 4 HD21 LEU 4 -1.920 -0.499 6.775
35 HD22 LEU 4 HD22 LEU 4 -1.529 -1.797 5.649
36 HD23 LEU 4 HD23 LEU 4 -1.805 -0.161 5.047
37 H GLN 5 HN GLN 5 2.968 -3.673 5.659
38 HA GLN 5 HA GLN 5 3.701 -5.053 3.461
39 HB2 GLN 5 HB2 GLN 5 2.669 -5.758 6.070
40 HB3 GLN 5 HB1 GLN 5 2.165 -6.932 4.862
41 HG2 GLN 5 HG2 GLN 5 4.232 -7.753 4.610
42 HG3 GLN 5 HG1 GLN 5 4.988 -6.163 4.714
43 HE21 GLN 5 HE21 GLN 5 6.286 -5.948 6.376
44 HE22 GLN 5 HE22 GLN 5 6.116 -6.713 7.915
45 H CYS 6 HN CYS 6 2.782 -5.216 1.519
46 HA CYS 6 HA CYS 6 -0.141 -5.347 1.340
47 HB2 CYS 6 HB2 CYS 6 0.087 -4.654 -0.957
48 HB3 CYS 6 HB1 CYS 6 1.053 -3.580 0.045
49 H ARG 7 HN ARG 7 -0.891 -6.692 -0.654
50 HA ARG 7 HA ARG 7 0.625 -9.207 -0.712
51 HB2 ARG 7 HB2 ARG 7 -2.262 -8.760 -0.094
52 HB3 ARG 7 HB1 ARG 7 -1.788 -10.240 -0.918
53 HG2 ARG 7 HG2 ARG 7 -0.372 -9.420 1.575
54 HG3 ARG 7 HG1 ARG 7 -1.960 -10.184 1.672
55 HD2 ARG 7 HD2 ARG 7 -0.897 -11.936 0.058
56 HD3 ARG 7 HD1 ARG 7 0.627 -11.295 0.669
57 HE ARG 7 HE ARG 7 0.244 -12.380 2.642
58 HH11 ARG 7 HH11 ARG 7 -2.759 -12.190 0.875
59 HH12 ARG 7 HH12 ARG 7 -3.619 -13.206 1.982
60 HH21 ARG 7 HH21 ARG 7 -0.885 -13.717 4.099
61 HH22 ARG 7 HH22 ARG 7 -2.556 -14.072 3.814
62 H SER 8 HN SER 8 -2.357 -8.021 -2.235
63 HA SER 8 HA SER 8 -1.378 -8.992 -4.804
64 HB2 SER 8 HB2 SER 8 -3.599 -9.700 -4.339
65 HB3 SER 8 HB1 SER 8 -4.093 -8.078 -3.854
66 HG SER 8 HG SER 8 -4.070 -9.196 -6.312
67 H ASN 9 HN ASN 9 -3.505 -6.208 -4.315
68 HA ASN 9 HA ASN 9 -1.469 -4.463 -5.495
69 HB2 ASN 9 HB2 ASN 9 -3.022 -5.331 -7.278
70 HB3 ASN 9 HB1 ASN 9 -4.333 -4.496 -6.450
71 HD21 ASN 9 HD21 ASN 9 -4.024 -2.152 -6.112
72 HD22 ASN 9 HD22 ASN 9 -3.237 -1.252 -7.359
73 H SER 10 HN SER 10 -4.643 -4.667 -3.954
74 HA SER 10 HA SER 10 -4.011 -2.192 -2.507
75 HB2 SER 10 HB2 SER 10 -6.157 -1.288 -2.840
76 HB3 SER 10 HB1 SER 10 -5.726 -1.934 -4.423
77 HG SER 10 HG SER 10 -7.753 -2.669 -4.020
78 H ASP 11 HN ASP 11 -3.552 -4.788 -1.576
79 HA ASP 11 HA ASP 11 -5.734 -5.644 0.080
80 HB2 ASP 11 HB2 ASP 11 -3.676 -6.990 -0.911
81 HB3 ASP 11 HB1 ASP 11 -2.929 -6.515 0.611
82 H CYS 12 HN CYS 12 -5.590 -3.115 0.741
83 HA CYS 12 HA CYS 12 -4.598 -3.178 3.473
84 HB2 CYS 12 HB2 CYS 12 -3.487 -1.461 1.335
85 HB3 CYS 12 HB1 CYS 12 -3.817 -0.665 2.870
86 H ASN 13 HN ASN 13 -5.571 -0.392 1.531
87 HA ASN 13 HA ASN 13 -8.267 -0.404 2.502
88 HB2 ASN 13 HB2 ASN 13 -8.143 1.617 3.853
89 HB3 ASN 13 HB1 ASN 13 -7.053 0.399 4.506
90 HD21 ASN 13 HD21 ASN 13 -6.342 2.553 5.488
91 HD22 ASN 13 HD22 ASN 13 -5.065 3.369 4.657
92 H ILE 14 HN ILE 14 -9.045 2.145 2.163
93 HA ILE 14 HA ILE 14 -8.980 2.459 -0.660
94 HB ILE 14 HB ILE 14 -9.954 4.486 1.349
95 HG12 ILE 14 HG12 ILE 14 -10.998 2.346 1.842
96 HG13 ILE 14 HG11 ILE 14 -12.173 3.411 1.076
97 HG21 ILE 14 HG21 ILE 14 -10.050 5.592 -0.644
98 HG22 ILE 14 HG22 ILE 14 -11.610 4.770 -0.689
99 HG23 ILE 14 HG23 ILE 14 -10.239 4.112 -1.584
100 HD11 ILE 14 HD11 ILE 14 -12.578 1.479 -0.051
101 HD12 ILE 14 HD12 ILE 14 -10.905 0.933 0.054
102 HD13 ILE 14 HD13 ILE 14 -11.352 2.188 -1.103
103 H ILE 15 HN ILE 15 -6.981 3.636 1.865
104 HA ILE 15 HA ILE 15 -6.038 5.974 0.471
105 HB ILE 15 HB ILE 15 -4.426 4.750 2.653
106 HG12 ILE 15 HG12 ILE 15 -7.078 6.135 3.103
107 HG13 ILE 15 HG11 ILE 15 -6.705 4.459 3.481
108 HG21 ILE 15 HG21 ILE 15 -4.569 7.226 1.310
109 HG22 ILE 15 HG22 ILE 15 -3.493 6.759 2.627
110 HG23 ILE 15 HG23 ILE 15 -5.043 7.515 2.983
111 HD11 ILE 15 HD11 ILE 15 -4.783 5.685 4.893
112 HD12 ILE 15 HD12 ILE 15 -6.379 5.294 5.537
113 HD13 ILE 15 HD13 ILE 15 -6.041 6.920 4.940
114 H TRP 16 HN TRP 16 -4.428 3.006 1.525
115 HA TRP 16 HA TRP 16 -2.431 3.366 -0.570
116 HB2 TRP 16 HB2 TRP 16 -2.441 1.350 1.681
117 HB3 TRP 16 HB1 TRP 16 -1.067 1.845 0.686
118 HD1 TRP 16 HD1 TRP 16 -0.624 4.657 0.860
119 HE1 TRP 16 HE1 TRP 16 -0.522 6.083 2.993
120 HE3 TRP 16 HE3 TRP 16 -3.096 1.527 4.013
121 HZ2 TRP 16 HZ2 TRP 16 -1.367 5.889 5.687
122 HZ3 TRP 16 HZ3 TRP 16 -3.420 2.210 6.358
123 HH2 TRP 16 HH2 TRP 16 -2.571 4.346 7.174
124 H ARG 17 HN ARG 17 -3.062 2.580 -2.453
125 HA ARG 17 HA ARG 17 -4.079 -0.186 -2.515
126 HB2 ARG 17 HB2 ARG 17 -5.217 0.546 -4.686
127 HB3 ARG 17 HB1 ARG 17 -5.922 1.105 -3.175
128 HG2 ARG 17 HG2 ARG 17 -4.703 3.254 -3.477
129 HG3 ARG 17 HG1 ARG 17 -4.195 2.683 -5.067
130 HD2 ARG 17 HD2 ARG 17 -7.083 2.513 -4.488
131 HD3 ARG 17 HD1 ARG 17 -6.419 4.140 -4.638
132 HE ARG 17 HE ARG 17 -5.470 2.715 -6.804
133 HH11 ARG 17 HH11 ARG 17 -8.583 3.660 -5.544
134 HH12 ARG 17 HH12 ARG 17 -9.336 3.721 -7.102
135 HH21 ARG 17 HH21 ARG 17 -6.458 2.794 -8.855
136 HH22 ARG 17 HH22 ARG 17 -8.129 3.229 -8.982
137 H ILE 18 HN ILE 18 -1.348 1.325 -2.958
138 HA ILE 18 HA ILE 18 -0.742 0.060 -5.547
139 HB ILE 18 HB ILE 18 0.786 2.265 -4.153
140 HG12 ILE 18 HG12 ILE 18 -1.275 3.186 -4.939
141 HG13 ILE 18 HG11 ILE 18 -0.038 3.635 -6.105
142 HG21 ILE 18 HG21 ILE 18 1.692 0.446 -6.026
143 HG22 ILE 18 HG22 ILE 18 2.420 2.008 -5.650
144 HG23 ILE 18 HG23 ILE 18 1.280 1.865 -6.988
145 HD11 ILE 18 HD11 ILE 18 -2.410 1.956 -6.426
146 HD12 ILE 18 HD12 ILE 18 -0.947 1.323 -7.179
147 HD13 ILE 18 HD13 ILE 18 -1.533 2.930 -7.606
148 H CYS 19 HN CYS 19 -0.474 -1.990 -4.566
149 HA CYS 19 HA CYS 19 1.239 -2.501 -2.406
150 HB2 CYS 19 HB2 CYS 19 -0.357 -4.171 -3.034
151 HB3 CYS 19 HB1 CYS 19 0.278 -4.251 -4.673
152 H ARG 20 HN ARG 20 3.059 -1.148 -2.912
153 HA ARG 20 HA ARG 20 4.750 -1.835 -5.143
154 HB2 ARG 20 HB2 ARG 20 4.432 0.455 -3.782
155 HB3 ARG 20 HB1 ARG 20 5.797 -0.200 -2.889
156 HG2 ARG 20 HG2 ARG 20 6.970 0.907 -4.460
157 HG3 ARG 20 HG1 ARG 20 6.689 -0.567 -5.387
158 HD2 ARG 20 HD2 ARG 20 4.667 0.489 -6.359
159 HD3 ARG 20 HD1 ARG 20 5.077 1.979 -5.508
160 HE ARG 20 HE ARG 20 6.236 1.011 -7.928
161 HH11 ARG 20 HH11 ARG 20 6.906 2.859 -5.044
162 HH12 ARG 20 HH12 ARG 20 8.172 3.783 -5.779
163 HH21 ARG 20 HH21 ARG 20 7.902 2.224 -8.896
164 HH22 ARG 20 HH22 ARG 20 8.738 3.423 -7.966
165 H ASP 21 HN ASP 21 7.273 -1.558 -3.681
166 HA ASP 21 HA ASP 21 8.152 -4.068 -3.394
167 HB2 ASP 21 HB2 ASP 21 8.936 -1.857 -1.490
168 HB3 ASP 21 HB1 ASP 21 9.906 -3.259 -1.930
169 H GLY 22 HN GLY 22 6.143 -5.137 -2.595
170 HA2 GLY 22 HA2 GLY 22 5.054 -6.360 -0.993
171 HA3 GLY 22 HA1 GLY 22 6.529 -6.223 -0.052
172 H CYS 23 HN CYS 23 4.953 -3.283 -0.954
173 HA CYS 23 HA CYS 23 3.602 -3.152 1.645
174 HB2 CYS 23 HB2 CYS 23 5.496 -1.035 0.613
175 HB3 CYS 23 HB1 CYS 23 4.517 -0.911 2.072
176 H CYS 24 HN CYS 24 2.111 -1.292 1.824
177 HA CYS 24 HA CYS 24 0.728 -0.896 -0.713
178 HB2 CYS 24 HB2 CYS 24 -0.164 -0.178 2.088
179 HB3 CYS 24 HB1 CYS 24 -1.158 -0.142 0.637
180 H ASN 25 HN ASN 25 0.778 0.969 -1.799
181 HA ASN 25 HA ASN 25 1.797 3.343 -0.375
182 HB2 ASN 25 HB2 ASN 25 2.261 2.490 -3.232
183 HB3 ASN 25 HB1 ASN 25 2.664 4.087 -2.624
184 HD21 ASN 25 HD21 ASN 25 3.137 0.667 -1.886
185 HD22 ASN 25 HD22 ASN 25 4.778 0.823 -1.380
186 H VAL 26 HN VAL 26 0.974 5.367 -0.942
187 HA VAL 26 HA VAL 26 -1.807 5.270 -1.796
188 HB VAL 26 HB VAL 26 -1.243 7.939 -1.260
189 HG11 VAL 26 HG11 VAL 26 -3.244 7.040 -0.520
190 HG12 VAL 26 HG12 VAL 26 -2.361 7.368 0.971
191 HG13 VAL 26 HG13 VAL 26 -2.450 5.723 0.342
192 HG21 VAL 26 HG21 VAL 26 0.142 6.293 0.853
193 HG22 VAL 26 HG22 VAL 26 -0.043 8.044 0.806
194 HG23 VAL 26 HG23 VAL 26 0.981 7.236 -0.378
195 H ILE 27 HN ILE 27 1.094 5.675 -3.335
196 HA ILE 27 HA ILE 27 0.321 7.835 -5.089
197 HB ILE 27 HB ILE 27 2.672 7.513 -4.454
198 HG12 ILE 27 HG12 ILE 27 2.766 6.965 -7.361
199 HG13 ILE 27 HG11 ILE 27 1.705 8.280 -6.865
200 HG21 ILE 27 HG21 ILE 27 3.387 5.401 -4.324
201 HG22 ILE 27 HG22 ILE 27 3.642 5.516 -6.065
202 HG23 ILE 27 HG23 ILE 27 2.150 4.818 -5.436
203 HD11 ILE 27 HD11 ILE 27 4.109 8.849 -7.488
204 HD12 ILE 27 HD12 ILE 27 4.548 8.128 -5.939
205 HD13 ILE 27 HD13 ILE 27 3.470 9.524 -5.989
Start of MODEL 10
1 H1 GLN 1 HT1 GLN 1 9.105 5.278 6.282
2 H2 GLN 1 HT2 GLN 1 8.168 6.094 7.465
3 H3 GLN 1 HT3 GLN 1 8.888 6.975 6.181
4 HA GLN 1 HA GLN 1 6.669 6.783 5.641
5 HB2 GLN 1 HB2 GLN 1 8.608 5.007 4.244
6 HB3 GLN 1 HB1 GLN 1 6.920 4.895 3.766
7 HG2 GLN 1 HG2 GLN 1 6.956 7.378 3.420
8 HG3 GLN 1 HG1 GLN 1 8.700 7.314 3.666
9 HE21 GLN 1 HE21 GLN 1 8.229 8.324 1.399
10 HE22 GLN 1 HE22 GLN 1 8.348 7.212 0.082
11 H LEU 2 HN LEU 2 4.890 5.215 4.956
12 HA LEU 2 HA LEU 2 4.573 3.234 7.094
13 HB2 LEU 2 HB2 LEU 2 2.685 4.867 5.462
14 HB3 LEU 2 HB1 LEU 2 2.125 3.335 6.105
15 HG LEU 2 HG LEU 2 1.546 5.279 7.530
16 HD11 LEU 2 HD11 LEU 2 1.469 3.435 8.840
17 HD12 LEU 2 HD12 LEU 2 2.832 4.236 9.622
18 HD13 LEU 2 HD13 LEU 2 3.118 2.951 8.449
19 HD21 LEU 2 HD21 LEU 2 4.538 5.497 7.754
20 HD22 LEU 2 HD22 LEU 2 3.425 6.230 8.909
21 HD23 LEU 2 HD23 LEU 2 3.397 6.729 7.218
22 H CYS 3 HN CYS 3 5.932 1.686 5.978
23 HA CYS 3 HA CYS 3 5.221 0.675 3.413
24 HB2 CYS 3 HB2 CYS 3 7.425 0.454 5.009
25 HB3 CYS 3 HB1 CYS 3 6.699 -1.136 5.209
26 H LEU 4 HN LEU 4 2.863 0.572 4.148
27 HA LEU 4 HA LEU 4 1.920 -1.425 5.865
28 HB2 LEU 4 HB2 LEU 4 0.825 0.484 4.076
29 HB3 LEU 4 HB1 LEU 4 0.112 -1.064 3.676
30 HG LEU 4 HG LEU 4 -0.120 -1.043 6.402
31 HD11 LEU 4 HD11 LEU 4 0.530 1.147 6.835
32 HD12 LEU 4 HD12 LEU 4 -1.230 1.249 6.764
33 HD13 LEU 4 HD13 LEU 4 -0.259 1.771 5.387
34 HD21 LEU 4 HD21 LEU 4 -2.055 -0.080 4.300
35 HD22 LEU 4 HD22 LEU 4 -2.499 -0.485 5.959
36 HD23 LEU 4 HD23 LEU 4 -1.856 -1.730 4.889
37 H GLN 5 HN GLN 5 2.619 -3.492 5.657
38 HA GLN 5 HA GLN 5 3.486 -4.870 3.487
39 HB2 GLN 5 HB2 GLN 5 2.044 -5.700 5.957
40 HB3 GLN 5 HB1 GLN 5 2.235 -6.896 4.683
41 HG2 GLN 5 HG2 GLN 5 4.424 -7.150 5.072
42 HG3 GLN 5 HG1 GLN 5 4.679 -5.428 5.351
43 HE21 GLN 5 HE21 GLN 5 5.295 -4.945 7.321
44 HE22 GLN 5 HE22 GLN 5 4.908 -5.819 8.760
45 H CYS 6 HN CYS 6 2.643 -5.132 1.526
46 HA CYS 6 HA CYS 6 -0.277 -5.306 1.260
47 HB2 CYS 6 HB2 CYS 6 -0.004 -4.588 -1.025
48 HB3 CYS 6 HB1 CYS 6 0.896 -3.491 0.015
49 H ARG 7 HN ARG 7 -1.104 -6.766 -0.451
50 HA ARG 7 HA ARG 7 0.530 -9.209 -0.576
51 HB2 ARG 7 HB2 ARG 7 -2.369 -8.779 -0.053
52 HB3 ARG 7 HB1 ARG 7 -1.896 -10.230 -0.928
53 HG2 ARG 7 HG2 ARG 7 -0.654 -11.051 0.877
54 HG3 ARG 7 HG1 ARG 7 -0.628 -9.481 1.684
55 HD2 ARG 7 HD2 ARG 7 -2.252 -10.507 2.912
56 HD3 ARG 7 HD1 ARG 7 -3.250 -9.816 1.633
57 HE ARG 7 HE ARG 7 -2.582 -12.286 0.699
58 HH11 ARG 7 HH11 ARG 7 -4.086 -11.108 3.620
59 HH12 ARG 7 HH12 ARG 7 -5.039 -12.534 3.852
60 HH21 ARG 7 HH21 ARG 7 -3.836 -14.162 1.004
61 HH22 ARG 7 HH22 ARG 7 -4.898 -14.268 2.368
62 H SER 8 HN SER 8 -2.416 -8.165 -2.246
63 HA SER 8 HA SER 8 -1.299 -9.102 -4.760
64 HB2 SER 8 HB2 SER 8 -4.052 -8.201 -3.926
65 HB3 SER 8 HB1 SER 8 -3.639 -8.501 -5.614
66 HG SER 8 HG SER 8 -3.277 -10.395 -3.535
67 H ASN 9 HN ASN 9 -3.436 -6.307 -4.382
68 HA ASN 9 HA ASN 9 -1.356 -4.612 -5.581
69 HB2 ASN 9 HB2 ASN 9 -2.925 -5.329 -7.342
70 HB3 ASN 9 HB1 ASN 9 -4.263 -4.665 -6.411
71 HD21 ASN 9 HD21 ASN 9 -4.202 -2.351 -5.966
72 HD22 ASN 9 HD22 ASN 9 -3.506 -1.295 -7.143
73 H SER 10 HN SER 10 -4.465 -4.694 -3.901
74 HA SER 10 HA SER 10 -3.622 -2.379 -2.331
75 HB2 SER 10 HB2 SER 10 -5.716 -1.219 -2.635
76 HB3 SER 10 HB1 SER 10 -5.053 -1.572 -4.230
77 HG SER 10 HG SER 10 -7.378 -2.407 -3.099
78 H ASP 11 HN ASP 11 -3.570 -4.996 -1.501
79 HA ASP 11 HA ASP 11 -5.989 -5.674 -0.101
80 HB2 ASP 11 HB2 ASP 11 -3.276 -6.879 -0.392
81 HB3 ASP 11 HB1 ASP 11 -4.257 -7.363 0.988
82 H CYS 12 HN CYS 12 -5.625 -3.261 0.776
83 HA CYS 12 HA CYS 12 -4.815 -3.632 3.545
84 HB2 CYS 12 HB2 CYS 12 -3.850 -1.062 2.921
85 HB3 CYS 12 HB1 CYS 12 -2.913 -2.480 3.368
86 H ASN 13 HN ASN 13 -5.405 -0.586 1.850
87 HA ASN 13 HA ASN 13 -8.114 -0.461 2.917
88 HB2 ASN 13 HB2 ASN 13 -6.685 2.041 3.440
89 HB3 ASN 13 HB1 ASN 13 -7.788 1.139 4.471
90 HD21 ASN 13 HD21 ASN 13 -4.762 2.278 4.251
91 HD22 ASN 13 HD22 ASN 13 -3.937 1.166 5.283
92 H ILE 14 HN ILE 14 -8.782 2.091 2.421
93 HA ILE 14 HA ILE 14 -8.839 2.152 -0.451
94 HB ILE 14 HB ILE 14 -10.448 3.865 -0.295
95 HG12 ILE 14 HG12 ILE 14 -9.188 5.317 1.303
96 HG13 ILE 14 HG11 ILE 14 -10.905 5.197 1.670
97 HG21 ILE 14 HG21 ILE 14 -10.780 2.030 2.069
98 HG22 ILE 14 HG22 ILE 14 -11.284 1.719 0.409
99 HG23 ILE 14 HG23 ILE 14 -12.068 2.992 1.344
100 HD11 ILE 14 HD11 ILE 14 -8.587 3.982 3.119
101 HD12 ILE 14 HD12 ILE 14 -10.227 3.365 3.320
102 HD13 ILE 14 HD13 ILE 14 -9.858 5.039 3.736
103 H ILE 15 HN ILE 15 -6.844 3.534 1.943
104 HA ILE 15 HA ILE 15 -6.105 5.895 0.473
105 HB ILE 15 HB ILE 15 -4.289 4.778 2.546
106 HG12 ILE 15 HG12 ILE 15 -7.029 5.919 3.117
107 HG13 ILE 15 HG11 ILE 15 -6.404 4.347 3.601
108 HG21 ILE 15 HG21 ILE 15 -5.202 7.560 2.666
109 HG22 ILE 15 HG22 ILE 15 -4.395 7.115 1.163
110 HG23 ILE 15 HG23 ILE 15 -3.569 6.894 2.707
111 HD11 ILE 15 HD11 ILE 15 -4.635 5.736 4.890
112 HD12 ILE 15 HD12 ILE 15 -6.261 5.554 5.550
113 HD13 ILE 15 HD13 ILE 15 -5.807 7.043 4.721
114 H TRP 16 HN TRP 16 -4.203 3.100 1.492
115 HA TRP 16 HA TRP 16 -2.397 3.525 -0.749
116 HB2 TRP 16 HB2 TRP 16 -2.135 1.578 1.546
117 HB3 TRP 16 HB1 TRP 16 -0.862 2.112 0.444
118 HD1 TRP 16 HD1 TRP 16 -0.605 4.958 0.489
119 HE1 TRP 16 HE1 TRP 16 -0.435 6.461 2.561
120 HE3 TRP 16 HE3 TRP 16 -2.582 1.776 3.922
121 HZ2 TRP 16 HZ2 TRP 16 -1.042 6.302 5.324
122 HZ3 TRP 16 HZ3 TRP 16 -2.761 2.512 6.266
123 HH2 TRP 16 HH2 TRP 16 -2.006 4.729 6.949
124 H ARG 17 HN ARG 17 -3.214 2.701 -2.556
125 HA ARG 17 HA ARG 17 -4.056 -0.122 -2.517
126 HB2 ARG 17 HB2 ARG 17 -5.428 0.367 -4.483
127 HB3 ARG 17 HB1 ARG 17 -5.882 1.386 -3.123
128 HG2 ARG 17 HG2 ARG 17 -4.105 3.000 -4.318
129 HG3 ARG 17 HG1 ARG 17 -4.692 2.106 -5.722
130 HD2 ARG 17 HD2 ARG 17 -6.648 3.224 -3.762
131 HD3 ARG 17 HD1 ARG 17 -5.895 4.296 -4.942
132 HE ARG 17 HE ARG 17 -7.974 2.439 -5.434
133 HH11 ARG 17 HH11 ARG 17 -5.088 3.769 -6.878
134 HH12 ARG 17 HH12 ARG 17 -5.630 3.508 -8.502
135 HH21 ARG 17 HH21 ARG 17 -8.689 2.097 -7.569
136 HH22 ARG 17 HH22 ARG 17 -7.675 2.560 -8.895
137 H ILE 18 HN ILE 18 -1.374 1.412 -3.029
138 HA ILE 18 HA ILE 18 -0.777 0.143 -5.616
139 HB ILE 18 HB ILE 18 0.867 2.272 -4.249
140 HG12 ILE 18 HG12 ILE 18 -1.326 3.212 -4.744
141 HG13 ILE 18 HG11 ILE 18 -0.137 3.858 -5.870
142 HG21 ILE 18 HG21 ILE 18 2.169 1.055 -5.808
143 HG22 ILE 18 HG22 ILE 18 1.724 2.565 -6.603
144 HG23 ILE 18 HG23 ILE 18 0.876 1.072 -7.008
145 HD11 ILE 18 HD11 ILE 18 -2.573 2.540 -6.432
146 HD12 ILE 18 HD12 ILE 18 -1.257 1.526 -7.024
147 HD13 ILE 18 HD13 ILE 18 -1.391 3.200 -7.562
148 H CYS 19 HN CYS 19 -0.499 -1.903 -4.616
149 HA CYS 19 HA CYS 19 1.206 -2.399 -2.459
150 HB2 CYS 19 HB2 CYS 19 -0.373 -4.078 -3.129
151 HB3 CYS 19 HB1 CYS 19 0.319 -4.165 -4.744
152 H ARG 20 HN ARG 20 3.036 -1.054 -2.909
153 HA ARG 20 HA ARG 20 4.767 -1.725 -5.118
154 HB2 ARG 20 HB2 ARG 20 4.420 0.564 -3.776
155 HB3 ARG 20 HB1 ARG 20 5.757 -0.087 -2.838
156 HG2 ARG 20 HG2 ARG 20 6.682 -0.464 -5.347
157 HG3 ARG 20 HG1 ARG 20 5.701 0.986 -5.572
158 HD2 ARG 20 HD2 ARG 20 7.410 1.000 -3.183
159 HD3 ARG 20 HD1 ARG 20 8.279 0.978 -4.716
160 HE ARG 20 HE ARG 20 6.741 3.146 -3.623
161 HH11 ARG 20 HH11 ARG 20 8.003 1.725 -6.550
162 HH12 ARG 20 HH12 ARG 20 7.981 3.215 -7.431
163 HH21 ARG 20 HH21 ARG 20 6.711 5.107 -4.781
164 HH22 ARG 20 HH22 ARG 20 7.249 5.135 -6.427
165 H ASP 21 HN ASP 21 7.264 -1.461 -3.635
166 HA ASP 21 HA ASP 21 8.145 -3.962 -3.331
167 HB2 ASP 21 HB2 ASP 21 8.854 -1.556 -1.660
168 HB3 ASP 21 HB1 ASP 21 9.736 -3.077 -1.556
169 H GLY 22 HN GLY 22 6.124 -5.042 -2.560
170 HA2 GLY 22 HA2 GLY 22 5.040 -6.296 -0.978
171 HA3 GLY 22 HA1 GLY 22 6.495 -6.129 -0.009
172 H CYS 23 HN CYS 23 4.955 -3.187 -0.903
173 HA CYS 23 HA CYS 23 3.484 -3.111 1.633
174 HB2 CYS 23 HB2 CYS 23 5.368 -0.922 0.748
175 HB3 CYS 23 HB1 CYS 23 4.401 -0.941 2.219
176 H CYS 24 HN CYS 24 2.092 -1.101 1.779
177 HA CYS 24 HA CYS 24 0.768 -0.747 -0.798
178 HB2 CYS 24 HB2 CYS 24 -0.183 0.154 1.923
179 HB3 CYS 24 HB1 CYS 24 -1.129 0.062 0.443
180 H ASN 25 HN ASN 25 0.757 1.103 -1.903
181 HA ASN 25 HA ASN 25 1.821 3.504 -0.557
182 HB2 ASN 25 HB2 ASN 25 2.365 2.534 -3.363
183 HB3 ASN 25 HB1 ASN 25 2.754 4.156 -2.811
184 HD21 ASN 25 HD21 ASN 25 3.186 0.777 -1.875
185 HD22 ASN 25 HD22 ASN 25 4.814 0.951 -1.344
186 H VAL 26 HN VAL 26 0.968 5.501 -1.163
187 HA VAL 26 HA VAL 26 -1.757 5.336 -2.170
188 HB VAL 26 HB VAL 26 -1.468 7.974 -1.627
189 HG11 VAL 26 HG11 VAL 26 -2.206 7.056 0.793
190 HG12 VAL 26 HG12 VAL 26 -2.417 5.605 -0.187
191 HG13 VAL 26 HG13 VAL 26 -3.263 7.089 -0.621
192 HG21 VAL 26 HG21 VAL 26 0.142 6.686 0.557
193 HG22 VAL 26 HG22 VAL 26 -0.098 8.398 0.221
194 HG23 VAL 26 HG23 VAL 26 0.919 7.426 -0.841
195 H ILE 27 HN ILE 27 0.960 5.407 -3.734
196 HA ILE 27 HA ILE 27 1.227 7.602 -5.324
197 HB ILE 27 HB ILE 27 1.626 4.688 -5.747
198 HG12 ILE 27 HG12 ILE 27 3.701 6.722 -6.342
199 HG13 ILE 27 HG11 ILE 27 3.164 6.612 -4.669
200 HG21 ILE 27 HG21 ILE 27 2.683 5.317 -8.014
201 HG22 ILE 27 HG22 ILE 27 1.640 6.737 -7.941
202 HG23 ILE 27 HG23 ILE 27 0.933 5.122 -7.935
203 HD11 ILE 27 HD11 ILE 27 4.825 4.796 -6.236
204 HD12 ILE 27 HD12 ILE 27 3.564 3.994 -5.297
205 HD13 ILE 27 HD13 ILE 27 4.735 5.041 -4.491
Start of MODEL 11
1 H1 GLN 1 HT1 GLN 1 7.967 7.795 4.384
2 H2 GLN 1 HT2 GLN 1 8.575 6.395 5.170
3 H3 GLN 1 HT3 GLN 1 7.295 7.292 5.878
4 HA GLN 1 HA GLN 1 5.969 6.784 3.877
5 HB2 GLN 1 HB2 GLN 1 8.331 6.032 2.830
6 HB3 GLN 1 HB1 GLN 1 7.768 4.470 3.409
7 HG2 GLN 1 HG2 GLN 1 6.188 4.305 1.830
8 HG3 GLN 1 HG1 GLN 1 5.777 6.017 1.915
9 HE21 GLN 1 HE21 GLN 1 7.393 3.604 0.188
10 HE22 GLN 1 HE22 GLN 1 8.168 4.613 -0.980
11 H LEU 2 HN LEU 2 4.466 5.060 4.066
12 HA LEU 2 HA LEU 2 4.723 3.586 6.596
13 HB2 LEU 2 HB2 LEU 2 2.417 4.735 5.101
14 HB3 LEU 2 HB1 LEU 2 2.137 3.297 6.064
15 HG LEU 2 HG LEU 2 1.579 5.342 7.294
16 HD11 LEU 2 HD11 LEU 2 2.331 4.536 9.265
17 HD12 LEU 2 HD12 LEU 2 4.003 4.434 8.711
18 HD13 LEU 2 HD13 LEU 2 2.844 3.184 8.254
19 HD21 LEU 2 HD21 LEU 2 4.504 5.998 6.953
20 HD22 LEU 2 HD22 LEU 2 3.380 6.863 8.001
21 HD23 LEU 2 HD23 LEU 2 3.143 6.874 6.255
22 H CYS 3 HN CYS 3 6.038 1.961 5.530
23 HA CYS 3 HA CYS 3 5.181 0.436 3.340
24 HB2 CYS 3 HB2 CYS 3 7.445 0.511 4.855
25 HB3 CYS 3 HB1 CYS 3 6.735 -1.010 5.388
26 H LEU 4 HN LEU 4 2.975 0.005 3.633
27 HA LEU 4 HA LEU 4 2.161 -1.665 5.870
28 HB2 LEU 4 HB2 LEU 4 0.889 0.201 4.145
29 HB3 LEU 4 HB1 LEU 4 0.099 -1.347 3.923
30 HG LEU 4 HG LEU 4 0.338 -1.048 6.698
31 HD11 LEU 4 HD11 LEU 4 0.622 1.182 6.925
32 HD12 LEU 4 HD12 LEU 4 -1.123 1.192 6.672
33 HD13 LEU 4 HD13 LEU 4 -0.037 1.540 5.328
34 HD21 LEU 4 HD21 LEU 4 -2.105 -0.891 6.607
35 HD22 LEU 4 HD22 LEU 4 -1.489 -2.137 5.522
36 HD23 LEU 4 HD23 LEU 4 -2.014 -0.583 4.872
37 H GLN 5 HN GLN 5 2.883 -3.720 5.625
38 HA GLN 5 HA GLN 5 3.532 -5.232 3.539
39 HB2 GLN 5 HB2 GLN 5 2.259 -5.829 6.115
40 HB3 GLN 5 HB1 GLN 5 2.029 -7.078 4.899
41 HG2 GLN 5 HG2 GLN 5 4.168 -7.726 4.974
42 HG3 GLN 5 HG1 GLN 5 4.771 -6.076 5.108
43 HE21 GLN 5 HE21 GLN 5 5.821 -5.717 6.914
44 HE22 GLN 5 HE22 GLN 5 5.491 -6.432 8.452
45 H CYS 6 HN CYS 6 2.639 -5.292 1.571
46 HA CYS 6 HA CYS 6 -0.275 -5.490 1.336
47 HB2 CYS 6 HB2 CYS 6 -0.023 -4.762 -0.945
48 HB3 CYS 6 HB1 CYS 6 0.922 -3.690 0.080
49 H ARG 7 HN ARG 7 -0.762 -6.742 -0.927
50 HA ARG 7 HA ARG 7 0.740 -9.249 -0.909
51 HB2 ARG 7 HB2 ARG 7 -2.129 -8.891 -0.229
52 HB3 ARG 7 HB1 ARG 7 -1.694 -10.298 -1.190
53 HG2 ARG 7 HG2 ARG 7 0.017 -10.828 0.589
54 HG3 ARG 7 HG1 ARG 7 -0.752 -9.578 1.570
55 HD2 ARG 7 HD2 ARG 7 -2.925 -10.967 0.871
56 HD3 ARG 7 HD1 ARG 7 -1.732 -12.262 0.791
57 HE ARG 7 HE ARG 7 -1.539 -10.761 3.212
58 HH11 ARG 7 HH11 ARG 7 -3.316 -13.309 1.623
59 HH12 ARG 7 HH12 ARG 7 -3.793 -14.071 3.104
60 HH21 ARG 7 HH21 ARG 7 -2.163 -11.762 5.160
61 HH22 ARG 7 HH22 ARG 7 -3.138 -13.193 5.112
62 H SER 8 HN SER 8 -2.193 -7.948 -2.440
63 HA SER 8 HA SER 8 -1.198 -8.906 -5.018
64 HB2 SER 8 HB2 SER 8 -3.411 -9.658 -4.608
65 HB3 SER 8 HB1 SER 8 -3.935 -8.063 -4.070
66 HG SER 8 HG SER 8 -4.650 -8.341 -6.155
67 H ASN 9 HN ASN 9 -3.377 -6.169 -4.507
68 HA ASN 9 HA ASN 9 -1.363 -4.402 -5.714
69 HB2 ASN 9 HB2 ASN 9 -3.019 -5.127 -7.420
70 HB3 ASN 9 HB1 ASN 9 -4.298 -4.425 -6.434
71 HD21 ASN 9 HD21 ASN 9 -4.108 -2.107 -5.966
72 HD22 ASN 9 HD22 ASN 9 -3.443 -1.075 -7.181
73 H SER 10 HN SER 10 -4.386 -4.605 -3.895
74 HA SER 10 HA SER 10 -3.531 -2.290 -2.329
75 HB2 SER 10 HB2 SER 10 -5.715 -1.231 -2.472
76 HB3 SER 10 HB1 SER 10 -5.075 -1.463 -4.099
77 HG SER 10 HG SER 10 -7.267 -2.097 -3.941
78 H ASP 11 HN ASP 11 -3.234 -4.765 -1.391
79 HA ASP 11 HA ASP 11 -5.559 -5.684 0.034
80 HB2 ASP 11 HB2 ASP 11 -2.731 -6.560 -0.252
81 HB3 ASP 11 HB1 ASP 11 -3.585 -7.063 1.204
82 H CYS 12 HN CYS 12 -5.489 -3.197 0.798
83 HA CYS 12 HA CYS 12 -4.707 -3.340 3.595
84 HB2 CYS 12 HB2 CYS 12 -3.639 -1.309 1.652
85 HB3 CYS 12 HB1 CYS 12 -3.775 -0.944 3.369
86 H ASN 13 HN ASN 13 -5.597 -0.582 1.567
87 HA ASN 13 HA ASN 13 -8.341 -0.600 2.258
88 HB2 ASN 13 HB2 ASN 13 -8.226 1.550 3.646
89 HB3 ASN 13 HB1 ASN 13 -7.739 0.062 4.448
90 HD21 ASN 13 HD21 ASN 13 -6.377 2.702 2.550
91 HD22 ASN 13 HD22 ASN 13 -4.928 2.855 3.464
92 H ILE 14 HN ILE 14 -9.042 2.025 1.989
93 HA ILE 14 HA ILE 14 -8.695 2.450 -0.765
94 HB ILE 14 HB ILE 14 -10.676 3.226 0.470
95 HG12 ILE 14 HG12 ILE 14 -11.003 5.244 -0.775
96 HG13 ILE 14 HG11 ILE 14 -9.272 5.562 -0.834
97 HG21 ILE 14 HG21 ILE 14 -9.284 4.065 2.430
98 HG22 ILE 14 HG22 ILE 14 -10.658 5.056 1.937
99 HG23 ILE 14 HG23 ILE 14 -9.022 5.522 1.471
100 HD11 ILE 14 HD11 ILE 14 -10.664 3.265 -2.193
101 HD12 ILE 14 HD12 ILE 14 -8.949 3.663 -2.299
102 HD13 ILE 14 HD13 ILE 14 -10.153 4.764 -2.972
103 H ILE 15 HN ILE 15 -7.307 4.162 1.995
104 HA ILE 15 HA ILE 15 -5.952 6.181 0.733
105 HB ILE 15 HB ILE 15 -4.426 4.742 2.838
106 HG12 ILE 15 HG12 ILE 15 -7.077 6.121 3.314
107 HG13 ILE 15 HG11 ILE 15 -6.659 4.458 3.707
108 HG21 ILE 15 HG21 ILE 15 -4.465 7.293 1.655
109 HG22 ILE 15 HG22 ILE 15 -3.427 6.712 2.958
110 HG23 ILE 15 HG23 ILE 15 -4.958 7.503 3.334
111 HD11 ILE 15 HD11 ILE 15 -4.801 5.688 5.153
112 HD12 ILE 15 HD12 ILE 15 -6.424 5.358 5.760
113 HD13 ILE 15 HD13 ILE 15 -6.025 6.958 5.135
114 H TRP 16 HN TRP 16 -4.521 3.046 1.536
115 HA TRP 16 HA TRP 16 -2.468 3.493 -0.498
116 HB2 TRP 16 HB2 TRP 16 -2.552 1.281 1.557
117 HB3 TRP 16 HB1 TRP 16 -1.157 1.856 0.640
118 HD1 TRP 16 HD1 TRP 16 -0.588 4.578 1.153
119 HE1 TRP 16 HE1 TRP 16 -0.533 5.776 3.429
120 HE3 TRP 16 HE3 TRP 16 -3.333 1.264 3.842
121 HZ2 TRP 16 HZ2 TRP 16 -1.521 5.343 6.046
122 HZ3 TRP 16 HZ3 TRP 16 -3.750 1.711 6.228
123 HH2 TRP 16 HH2 TRP 16 -2.861 3.710 7.302
124 H ARG 17 HN ARG 17 -2.852 2.734 -2.440
125 HA ARG 17 HA ARG 17 -4.149 0.102 -2.685
126 HB2 ARG 17 HB2 ARG 17 -5.227 0.908 -4.762
127 HB3 ARG 17 HB1 ARG 17 -5.767 1.770 -3.329
128 HG2 ARG 17 HG2 ARG 17 -3.798 3.405 -4.069
129 HG3 ARG 17 HG1 ARG 17 -4.204 2.728 -5.647
130 HD2 ARG 17 HD2 ARG 17 -6.491 3.555 -3.986
131 HD3 ARG 17 HD1 ARG 17 -5.445 4.860 -4.543
132 HE ARG 17 HE ARG 17 -6.209 3.028 -6.619
133 HH11 ARG 17 HH11 ARG 17 -7.131 5.891 -4.852
134 HH12 ARG 17 HH12 ARG 17 -8.154 6.492 -6.113
135 HH21 ARG 17 HH21 ARG 17 -7.555 3.815 -8.279
136 HH22 ARG 17 HH22 ARG 17 -8.397 5.313 -8.058
137 H ILE 18 HN ILE 18 -1.271 1.485 -2.985
138 HA ILE 18 HA ILE 18 -0.658 0.139 -5.535
139 HB ILE 18 HB ILE 18 0.991 2.271 -4.178
140 HG12 ILE 18 HG12 ILE 18 -1.056 3.301 -4.905
141 HG13 ILE 18 HG11 ILE 18 0.197 3.719 -6.068
142 HG21 ILE 18 HG21 ILE 18 2.449 1.041 -5.505
143 HG22 ILE 18 HG22 ILE 18 1.956 2.360 -6.567
144 HG23 ILE 18 HG23 ILE 18 1.233 0.762 -6.752
145 HD11 ILE 18 HD11 ILE 18 -1.912 3.171 -7.157
146 HD12 ILE 18 HD12 ILE 18 -1.872 1.565 -6.429
147 HD13 ILE 18 HD13 ILE 18 -0.639 2.033 -7.600
148 H CYS 19 HN CYS 19 -0.433 -1.907 -4.584
149 HA CYS 19 HA CYS 19 1.196 -2.444 -2.351
150 HB2 CYS 19 HB2 CYS 19 -0.395 -4.100 -2.965
151 HB3 CYS 19 HB1 CYS 19 0.193 -4.160 -4.620
152 H ARG 20 HN ARG 20 3.052 -1.137 -2.813
153 HA ARG 20 HA ARG 20 4.781 -1.851 -5.005
154 HB2 ARG 20 HB2 ARG 20 4.469 0.438 -3.638
155 HB3 ARG 20 HB1 ARG 20 5.810 -0.242 -2.726
156 HG2 ARG 20 HG2 ARG 20 6.801 -0.604 -5.149
157 HG3 ARG 20 HG1 ARG 20 5.711 0.731 -5.526
158 HD2 ARG 20 HD2 ARG 20 6.848 1.688 -3.289
159 HD3 ARG 20 HD1 ARG 20 8.169 0.685 -3.888
160 HE ARG 20 HE ARG 20 7.203 2.239 -6.007
161 HH11 ARG 20 HH11 ARG 20 8.903 2.637 -2.984
162 HH12 ARG 20 HH12 ARG 20 9.749 4.055 -3.503
163 HH21 ARG 20 HH21 ARG 20 8.317 4.103 -6.691
164 HH22 ARG 20 HH22 ARG 20 9.417 4.889 -5.607
165 H ASP 21 HN ASP 21 7.269 -1.604 -3.463
166 HA ASP 21 HA ASP 21 8.124 -4.122 -3.183
167 HB2 ASP 21 HB2 ASP 21 8.862 -1.937 -1.232
168 HB3 ASP 21 HB1 ASP 21 9.835 -3.343 -1.653
169 H GLY 22 HN GLY 22 6.072 -5.177 -2.457
170 HA2 GLY 22 HA2 GLY 22 4.938 -6.422 -0.904
171 HA3 GLY 22 HA1 GLY 22 6.390 -6.310 0.077
172 H CYS 23 HN CYS 23 4.805 -3.367 -0.835
173 HA CYS 23 HA CYS 23 3.371 -3.266 1.713
174 HB2 CYS 23 HB2 CYS 23 5.416 -1.216 0.848
175 HB3 CYS 23 HB1 CYS 23 4.314 -1.019 2.206
176 H CYS 24 HN CYS 24 1.851 -1.467 1.863
177 HA CYS 24 HA CYS 24 0.665 -0.911 -0.737
178 HB2 CYS 24 HB2 CYS 24 -0.394 -0.360 2.045
179 HB3 CYS 24 HB1 CYS 24 -1.286 -0.137 0.545
180 H ASN 25 HN ASN 25 0.764 1.015 -1.715
181 HA ASN 25 HA ASN 25 1.806 3.277 -0.138
182 HB2 ASN 25 HB2 ASN 25 2.280 2.508 -3.007
183 HB3 ASN 25 HB1 ASN 25 2.593 4.136 -2.424
184 HD21 ASN 25 HD21 ASN 25 3.338 0.747 -1.852
185 HD22 ASN 25 HD22 ASN 25 4.937 1.011 -1.267
186 H VAL 26 HN VAL 26 1.047 5.361 -0.630
187 HA VAL 26 HA VAL 26 -1.754 5.365 -1.409
188 HB VAL 26 HB VAL 26 -1.054 8.005 -0.789
189 HG11 VAL 26 HG11 VAL 26 -2.240 7.433 1.393
190 HG12 VAL 26 HG12 VAL 26 -2.399 5.807 0.731
191 HG13 VAL 26 HG13 VAL 26 -3.118 7.178 -0.114
192 HG21 VAL 26 HG21 VAL 26 0.203 6.184 1.259
193 HG22 VAL 26 HG22 VAL 26 0.117 7.942 1.299
194 HG23 VAL 26 HG23 VAL 26 1.111 7.138 0.086
195 H ILE 27 HN ILE 27 1.017 5.611 -3.099
196 HA ILE 27 HA ILE 27 0.314 7.902 -4.728
197 HB ILE 27 HB ILE 27 2.680 7.340 -4.184
198 HG12 ILE 27 HG12 ILE 27 2.540 7.143 -7.142
199 HG13 ILE 27 HG11 ILE 27 1.677 8.487 -6.401
200 HG21 ILE 27 HG21 ILE 27 2.638 5.223 -6.279
201 HG22 ILE 27 HG22 ILE 27 2.153 4.810 -4.635
202 HG23 ILE 27 HG23 ILE 27 3.761 5.466 -4.941
203 HD11 ILE 27 HD11 ILE 27 4.056 8.914 -7.145
204 HD12 ILE 27 HD12 ILE 27 4.552 7.903 -5.787
205 HD13 ILE 27 HD13 ILE 27 3.643 9.387 -5.497
Start of MODEL 12
1 H1 GLN 1 HT1 GLN 1 6.652 7.261 6.196
2 H2 GLN 1 HT2 GLN 1 8.317 7.229 6.606
3 H3 GLN 1 HT3 GLN 1 7.147 6.633 7.711
4 HA GLN 1 HA GLN 1 7.650 5.506 5.042
5 HB2 GLN 1 HB2 GLN 1 8.704 4.770 7.776
6 HB3 GLN 1 HB1 GLN 1 8.754 3.676 6.401
7 HG2 GLN 1 HG2 GLN 1 10.779 4.545 6.058
8 HG3 GLN 1 HG1 GLN 1 9.897 5.894 5.343
9 HE21 GLN 1 HE21 GLN 1 11.602 4.750 8.157
10 HE22 GLN 1 HE22 GLN 1 11.838 6.297 8.890
11 H LEU 2 HN LEU 2 5.544 5.016 4.574
12 HA LEU 2 HA LEU 2 4.017 3.500 6.575
13 HB2 LEU 2 HB2 LEU 2 2.116 3.931 4.883
14 HB3 LEU 2 HB1 LEU 2 2.665 5.253 5.895
15 HG LEU 2 HG LEU 2 3.970 5.005 3.248
16 HD11 LEU 2 HD11 LEU 2 1.402 6.438 3.186
17 HD12 LEU 2 HD12 LEU 2 1.294 4.678 3.212
18 HD13 LEU 2 HD13 LEU 2 2.206 5.486 1.938
19 HD21 LEU 2 HD21 LEU 2 4.170 7.305 3.415
20 HD22 LEU 2 HD22 LEU 2 4.280 6.792 5.099
21 HD23 LEU 2 HD23 LEU 2 2.769 7.453 4.475
22 H CYS 3 HN CYS 3 5.977 2.007 5.529
23 HA CYS 3 HA CYS 3 5.268 0.645 3.133
24 HB2 CYS 3 HB2 CYS 3 7.541 0.794 4.618
25 HB3 CYS 3 HB1 CYS 3 6.953 -0.798 5.082
26 H LEU 4 HN LEU 4 2.958 0.442 3.964
27 HA LEU 4 HA LEU 4 2.327 -1.517 5.916
28 HB2 LEU 4 HB2 LEU 4 0.926 0.270 4.149
29 HB3 LEU 4 HB1 LEU 4 0.193 -1.319 4.084
30 HG LEU 4 HG LEU 4 0.448 -0.975 6.776
31 HD11 LEU 4 HD11 LEU 4 -0.720 1.450 6.819
32 HD12 LEU 4 HD12 LEU 4 0.429 1.680 5.501
33 HD13 LEU 4 HD13 LEU 4 1.001 1.187 7.095
34 HD21 LEU 4 HD21 LEU 4 -1.961 -0.473 6.732
35 HD22 LEU 4 HD22 LEU 4 -1.528 -1.779 5.630
36 HD23 LEU 4 HD23 LEU 4 -1.849 -0.163 4.999
37 H GLN 5 HN GLN 5 2.964 -3.586 5.666
38 HA GLN 5 HA GLN 5 3.706 -4.982 3.484
39 HB2 GLN 5 HB2 GLN 5 2.614 -5.684 6.089
40 HB3 GLN 5 HB1 GLN 5 2.223 -6.885 4.866
41 HG2 GLN 5 HG2 GLN 5 4.342 -7.596 4.694
42 HG3 GLN 5 HG1 GLN 5 5.012 -5.974 4.864
43 HE21 GLN 5 HE21 GLN 5 4.977 -5.051 7.056
44 HE22 GLN 5 HE22 GLN 5 5.236 -6.111 8.395
45 H CYS 6 HN CYS 6 2.791 -5.162 1.541
46 HA CYS 6 HA CYS 6 -0.131 -5.316 1.360
47 HB2 CYS 6 HB2 CYS 6 0.090 -4.627 -0.936
48 HB3 CYS 6 HB1 CYS 6 1.069 -3.551 0.054
49 H ARG 7 HN ARG 7 -0.844 -6.668 -0.663
50 HA ARG 7 HA ARG 7 0.682 -9.174 -0.693
51 HB2 ARG 7 HB2 ARG 7 -1.731 -8.855 0.609
52 HB3 ARG 7 HB1 ARG 7 -2.203 -9.554 -0.933
53 HG2 ARG 7 HG2 ARG 7 -0.266 -11.239 -0.409
54 HG3 ARG 7 HG1 ARG 7 -0.548 -10.714 1.252
55 HD2 ARG 7 HD2 ARG 7 -2.798 -11.445 1.198
56 HD3 ARG 7 HD1 ARG 7 -2.763 -11.657 -0.552
57 HE ARG 7 HE ARG 7 -1.976 -13.556 1.402
58 HH11 ARG 7 HH11 ARG 7 -1.167 -12.381 -1.783
59 HH12 ARG 7 HH12 ARG 7 -0.470 -13.881 -2.295
60 HH21 ARG 7 HH21 ARG 7 -1.060 -15.529 0.730
61 HH22 ARG 7 HH22 ARG 7 -0.410 -15.668 -0.869
62 H SER 8 HN SER 8 -2.308 -8.009 -2.215
63 HA SER 8 HA SER 8 -1.327 -8.989 -4.782
64 HB2 SER 8 HB2 SER 8 -4.051 -8.098 -3.836
65 HB3 SER 8 HB1 SER 8 -3.703 -8.455 -5.527
66 HG SER 8 HG SER 8 -4.511 -10.294 -4.505
67 H ASN 9 HN ASN 9 -3.487 -6.229 -4.311
68 HA ASN 9 HA ASN 9 -1.473 -4.468 -5.508
69 HB2 ASN 9 HB2 ASN 9 -3.025 -5.356 -7.276
70 HB3 ASN 9 HB1 ASN 9 -4.344 -4.543 -6.441
71 HD21 ASN 9 HD21 ASN 9 -4.080 -2.194 -6.117
72 HD22 ASN 9 HD22 ASN 9 -3.314 -1.283 -7.368
73 H SER 10 HN SER 10 -4.631 -4.697 -3.934
74 HA SER 10 HA SER 10 -4.009 -2.211 -2.503
75 HB2 SER 10 HB2 SER 10 -6.173 -1.328 -2.819
76 HB3 SER 10 HB1 SER 10 -5.726 -1.949 -4.408
77 HG SER 10 HG SER 10 -7.548 -2.984 -2.537
78 H ASP 11 HN ASP 11 -3.521 -4.784 -1.555
79 HA ASP 11 HA ASP 11 -5.693 -5.663 0.103
80 HB2 ASP 11 HB2 ASP 11 -2.874 -6.500 -0.362
81 HB3 ASP 11 HB1 ASP 11 -3.623 -6.974 1.160
82 H CYS 12 HN CYS 12 -5.583 -3.129 0.753
83 HA CYS 12 HA CYS 12 -4.600 -3.167 3.486
84 HB2 CYS 12 HB2 CYS 12 -3.502 -1.438 1.345
85 HB3 CYS 12 HB1 CYS 12 -3.818 -0.662 2.894
86 H ASN 13 HN ASN 13 -5.574 -0.393 1.526
87 HA ASN 13 HA ASN 13 -8.276 -0.414 2.485
88 HB2 ASN 13 HB2 ASN 13 -8.165 1.616 3.825
89 HB3 ASN 13 HB1 ASN 13 -7.075 0.404 4.489
90 HD21 ASN 13 HD21 ASN 13 -6.367 2.558 5.466
91 HD22 ASN 13 HD22 ASN 13 -5.093 3.377 4.636
92 H ILE 14 HN ILE 14 -9.061 2.131 2.131
93 HA ILE 14 HA ILE 14 -8.986 2.431 -0.694
94 HB ILE 14 HB ILE 14 -9.977 4.464 1.300
95 HG12 ILE 14 HG12 ILE 14 -11.013 2.322 1.800
96 HG13 ILE 14 HG11 ILE 14 -12.190 3.378 1.024
97 HG21 ILE 14 HG21 ILE 14 -10.693 3.935 -1.580
98 HG22 ILE 14 HG22 ILE 14 -9.774 5.308 -0.963
99 HG23 ILE 14 HG23 ILE 14 -11.475 5.121 -0.535
100 HD11 ILE 14 HD11 ILE 14 -12.414 1.172 0.135
101 HD12 ILE 14 HD12 ILE 14 -10.692 1.100 -0.241
102 HD13 ILE 14 HD13 ILE 14 -11.739 2.216 -1.115
103 H ILE 15 HN ILE 15 -7.007 3.633 1.835
104 HA ILE 15 HA ILE 15 -6.066 5.968 0.437
105 HB ILE 15 HB ILE 15 -4.455 4.754 2.624
106 HG12 ILE 15 HG12 ILE 15 -7.112 6.132 3.065
107 HG13 ILE 15 HG11 ILE 15 -6.734 4.458 3.449
108 HG21 ILE 15 HG21 ILE 15 -3.521 6.761 2.577
109 HG22 ILE 15 HG22 ILE 15 -5.069 7.514 2.960
110 HG23 ILE 15 HG23 ILE 15 -4.618 7.233 1.279
111 HD11 ILE 15 HD11 ILE 15 -6.411 5.299 5.503
112 HD12 ILE 15 HD12 ILE 15 -6.085 6.926 4.903
113 HD13 ILE 15 HD13 ILE 15 -4.818 5.699 4.859
114 H TRP 16 HN TRP 16 -4.452 3.005 1.497
115 HA TRP 16 HA TRP 16 -2.454 3.368 -0.598
116 HB2 TRP 16 HB2 TRP 16 -2.452 1.361 1.661
117 HB3 TRP 16 HB1 TRP 16 -1.082 1.861 0.665
118 HD1 TRP 16 HD1 TRP 16 -0.650 4.674 0.833
119 HE1 TRP 16 HE1 TRP 16 -0.556 6.106 2.964
120 HE3 TRP 16 HE3 TRP 16 -3.114 1.544 3.990
121 HZ2 TRP 16 HZ2 TRP 16 -1.405 5.915 5.655
122 HZ3 TRP 16 HZ3 TRP 16 -3.444 2.231 6.333
123 HH2 TRP 16 HH2 TRP 16 -2.605 4.371 7.144
124 H ARG 17 HN ARG 17 -3.090 2.572 -2.477
125 HA ARG 17 HA ARG 17 -4.094 -0.199 -2.525
126 HB2 ARG 17 HB2 ARG 17 -5.236 0.519 -4.698
127 HB3 ARG 17 HB1 ARG 17 -5.940 1.085 -3.191
128 HG2 ARG 17 HG2 ARG 17 -4.674 3.227 -3.519
129 HG3 ARG 17 HG1 ARG 17 -4.257 2.644 -5.133
130 HD2 ARG 17 HD2 ARG 17 -7.050 3.045 -4.064
131 HD3 ARG 17 HD1 ARG 17 -6.209 4.123 -5.178
132 HE ARG 17 HE ARG 17 -6.403 1.415 -6.120
133 HH11 ARG 17 HH11 ARG 17 -8.020 4.502 -5.945
134 HH12 ARG 17 HH12 ARG 17 -9.003 4.208 -7.340
135 HH21 ARG 17 HH21 ARG 17 -7.695 1.025 -7.955
136 HH22 ARG 17 HH22 ARG 17 -8.819 2.234 -8.482
137 H ILE 18 HN ILE 18 -1.367 1.324 -2.980
138 HA ILE 18 HA ILE 18 -0.759 0.045 -5.562
139 HB ILE 18 HB ILE 18 0.728 2.282 -4.173
140 HG12 ILE 18 HG12 ILE 18 -1.312 3.158 -5.057
141 HG13 ILE 18 HG11 ILE 18 -0.039 3.590 -6.190
142 HG21 ILE 18 HG21 ILE 18 2.352 1.103 -5.369
143 HG22 ILE 18 HG22 ILE 18 1.865 2.392 -6.470
144 HG23 ILE 18 HG23 ILE 18 1.251 0.757 -6.703
145 HD11 ILE 18 HD11 ILE 18 -0.710 1.636 -7.578
146 HD12 ILE 18 HD12 ILE 18 -1.937 2.896 -7.438
147 HD13 ILE 18 HD13 ILE 18 -2.084 1.413 -6.494
148 H CYS 19 HN CYS 19 -0.492 -2.001 -4.565
149 HA CYS 19 HA CYS 19 1.226 -2.496 -2.405
150 HB2 CYS 19 HB2 CYS 19 -0.369 -4.171 -3.015
151 HB3 CYS 19 HB1 CYS 19 0.257 -4.262 -4.656
152 H ARG 20 HN ARG 20 3.044 -1.143 -2.928
153 HA ARG 20 HA ARG 20 4.731 -1.850 -5.156
154 HB2 ARG 20 HB2 ARG 20 4.414 0.453 -3.816
155 HB3 ARG 20 HB1 ARG 20 5.781 -0.193 -2.918
156 HG2 ARG 20 HG2 ARG 20 6.952 0.898 -4.502
157 HG3 ARG 20 HG1 ARG 20 6.667 -0.585 -5.417
158 HD2 ARG 20 HD2 ARG 20 4.487 0.619 -6.167
159 HD3 ARG 20 HD1 ARG 20 5.329 2.081 -5.656
160 HE ARG 20 HE ARG 20 6.876 0.421 -7.417
161 HH11 ARG 20 HH11 ARG 20 4.471 2.944 -7.250
162 HH12 ARG 20 HH12 ARG 20 4.832 3.565 -8.826
163 HH21 ARG 20 HH21 ARG 20 7.352 1.235 -9.490
164 HH22 ARG 20 HH22 ARG 20 6.467 2.594 -10.099
165 H ASP 21 HN ASP 21 7.256 -1.558 -3.702
166 HA ASP 21 HA ASP 21 8.137 -4.065 -3.392
167 HB2 ASP 21 HB2 ASP 21 9.265 -1.690 -2.957
168 HB3 ASP 21 HB1 ASP 21 9.074 -2.193 -1.280
169 H GLY 22 HN GLY 22 6.131 -5.127 -2.573
170 HA2 GLY 22 HA2 GLY 22 5.048 -6.333 -0.954
171 HA3 GLY 22 HA1 GLY 22 6.528 -6.183 -0.020
172 H CYS 23 HN CYS 23 4.937 -3.260 -0.952
173 HA CYS 23 HA CYS 23 3.597 -3.099 1.650
174 HB2 CYS 23 HB2 CYS 23 5.482 -0.990 0.587
175 HB3 CYS 23 HB1 CYS 23 4.511 -0.852 2.049
176 H CYS 24 HN CYS 24 2.094 -1.253 1.811
177 HA CYS 24 HA CYS 24 0.715 -0.877 -0.732
178 HB2 CYS 24 HB2 CYS 24 -0.190 -0.161 2.065
179 HB3 CYS 24 HB1 CYS 24 -1.180 -0.127 0.610
180 H ASN 25 HN ASN 25 0.762 0.982 -1.826
181 HA ASN 25 HA ASN 25 1.767 3.366 -0.410
182 HB2 ASN 25 HB2 ASN 25 2.214 2.512 -3.270
183 HB3 ASN 25 HB1 ASN 25 2.614 4.112 -2.665
184 HD21 ASN 25 HD21 ASN 25 3.108 0.694 -1.930
185 HD22 ASN 25 HD22 ASN 25 4.750 0.856 -1.437
186 H VAL 26 HN VAL 26 0.933 5.388 -0.992
187 HA VAL 26 HA VAL 26 -1.856 5.268 -1.811
188 HB VAL 26 HB VAL 26 -1.291 7.947 -1.308
189 HG11 VAL 26 HG11 VAL 26 -2.488 5.752 0.330
190 HG12 VAL 26 HG12 VAL 26 -3.292 7.045 -0.560
191 HG13 VAL 26 HG13 VAL 26 -2.410 7.410 0.923
192 HG21 VAL 26 HG21 VAL 26 0.100 6.315 0.810
193 HG22 VAL 26 HG22 VAL 26 -0.087 8.065 0.757
194 HG23 VAL 26 HG23 VAL 26 0.933 7.252 -0.428
195 H ILE 27 HN ILE 27 1.033 5.694 -3.377
196 HA ILE 27 HA ILE 27 0.221 7.821 -5.152
197 HB ILE 27 HB ILE 27 2.581 7.521 -4.539
198 HG12 ILE 27 HG12 ILE 27 3.253 7.172 -7.188
199 HG13 ILE 27 HG11 ILE 27 1.561 7.648 -7.288
200 HG21 ILE 27 HG21 ILE 27 3.541 5.511 -6.144
201 HG22 ILE 27 HG22 ILE 27 2.064 4.812 -5.479
202 HG23 ILE 27 HG23 ILE 27 3.318 5.420 -4.396
203 HD11 ILE 27 HD11 ILE 27 2.931 9.596 -7.457
204 HD12 ILE 27 HD12 ILE 27 3.797 9.173 -5.979
205 HD13 ILE 27 HD13 ILE 27 2.095 9.632 -5.904
Start of MODEL 13
1 H1 GLN 1 HT1 GLN 1 5.524 6.716 3.607
2 H2 GLN 1 HT2 GLN 1 6.652 7.933 4.048
3 H3 GLN 1 HT3 GLN 1 5.494 7.380 5.187
4 HA GLN 1 HA GLN 1 7.486 5.608 3.969
5 HB2 GLN 1 HB2 GLN 1 8.540 7.579 5.105
6 HB3 GLN 1 HB1 GLN 1 7.713 7.111 6.583
7 HG2 GLN 1 HG2 GLN 1 9.566 5.970 7.045
8 HG3 GLN 1 HG1 GLN 1 8.969 4.794 5.876
9 HE21 GLN 1 HE21 GLN 1 10.668 4.105 4.781
10 HE22 GLN 1 HE22 GLN 1 11.866 5.103 4.038
11 H LEU 2 HN LEU 2 4.742 5.087 4.462
12 HA LEU 2 HA LEU 2 4.820 3.463 6.913
13 HB2 LEU 2 HB2 LEU 2 2.575 4.673 5.333
14 HB3 LEU 2 HB1 LEU 2 2.278 3.320 6.407
15 HG LEU 2 HG LEU 2 1.739 5.337 7.576
16 HD11 LEU 2 HD11 LEU 2 3.056 3.470 8.725
17 HD12 LEU 2 HD12 LEU 2 2.980 5.036 9.533
18 HD13 LEU 2 HD13 LEU 2 4.433 4.570 8.649
19 HD21 LEU 2 HD21 LEU 2 2.920 7.262 7.531
20 HD22 LEU 2 HD22 LEU 2 3.545 6.582 6.028
21 HD23 LEU 2 HD23 LEU 2 4.478 6.435 7.518
22 H CYS 3 HN CYS 3 6.167 1.919 5.686
23 HA CYS 3 HA CYS 3 5.247 0.540 3.424
24 HB2 CYS 3 HB2 CYS 3 7.547 0.508 4.907
25 HB3 CYS 3 HB1 CYS 3 6.845 -1.056 5.309
26 H LEU 4 HN LEU 4 3.046 0.099 3.753
27 HA LEU 4 HA LEU 4 2.266 -1.677 5.911
28 HB2 LEU 4 HB2 LEU 4 0.960 0.192 4.169
29 HB3 LEU 4 HB1 LEU 4 0.161 -1.363 4.051
30 HG LEU 4 HG LEU 4 0.403 -1.085 6.759
31 HD11 LEU 4 HD11 LEU 4 0.432 1.597 5.525
32 HD12 LEU 4 HD12 LEU 4 1.033 1.059 7.093
33 HD13 LEU 4 HD13 LEU 4 -0.690 1.356 6.865
34 HD21 LEU 4 HD21 LEU 4 -1.995 -0.490 6.690
35 HD22 LEU 4 HD22 LEU 4 -1.583 -1.824 5.612
36 HD23 LEU 4 HD23 LEU 4 -1.846 -0.208 4.954
37 H GLN 5 HN GLN 5 2.889 -3.746 5.635
38 HA GLN 5 HA GLN 5 3.577 -5.171 3.472
39 HB2 GLN 5 HB2 GLN 5 2.351 -5.855 6.042
40 HB3 GLN 5 HB1 GLN 5 2.059 -7.054 4.789
41 HG2 GLN 5 HG2 GLN 5 4.188 -7.747 4.775
42 HG3 GLN 5 HG1 GLN 5 4.829 -6.114 4.959
43 HE21 GLN 5 HE21 GLN 5 5.443 -5.421 6.926
44 HE22 GLN 5 HE22 GLN 5 5.329 -6.358 8.374
45 H CYS 6 HN CYS 6 2.689 -5.290 1.514
46 HA CYS 6 HA CYS 6 -0.234 -5.390 1.285
47 HB2 CYS 6 HB2 CYS 6 0.041 -4.679 -1.005
48 HB3 CYS 6 HB1 CYS 6 0.983 -3.614 0.031
49 H ARG 7 HN ARG 7 -0.965 -6.711 -0.728
50 HA ARG 7 HA ARG 7 0.532 -9.239 -0.779
51 HB2 ARG 7 HB2 ARG 7 -2.344 -8.750 -0.190
52 HB3 ARG 7 HB1 ARG 7 -1.926 -10.198 -1.095
53 HG2 ARG 7 HG2 ARG 7 -0.658 -9.489 1.535
54 HG3 ARG 7 HG1 ARG 7 -2.119 -10.469 1.397
55 HD2 ARG 7 HD2 ARG 7 -0.689 -11.876 -0.261
56 HD3 ARG 7 HD1 ARG 7 0.676 -11.095 0.536
57 HE ARG 7 HE ARG 7 0.334 -12.452 2.335
58 HH11 ARG 7 HH11 ARG 7 -2.592 -12.390 0.434
59 HH12 ARG 7 HH12 ARG 7 -3.385 -13.599 1.387
60 HH21 ARG 7 HH21 ARG 7 -0.707 -14.043 3.588
61 HH22 ARG 7 HH22 ARG 7 -2.315 -14.537 3.178
62 H SER 8 HN SER 8 -2.393 -8.022 -2.380
63 HA SER 8 HA SER 8 -1.354 -8.984 -4.925
64 HB2 SER 8 HB2 SER 8 -3.606 -9.640 -4.519
65 HB3 SER 8 HB1 SER 8 -4.075 -8.003 -4.061
66 HG SER 8 HG SER 8 -4.097 -9.124 -6.481
67 H ASN 9 HN ASN 9 -3.432 -6.156 -4.491
68 HA ASN 9 HA ASN 9 -1.329 -4.475 -5.659
69 HB2 ASN 9 HB2 ASN 9 -2.913 -5.203 -7.434
70 HB3 ASN 9 HB1 ASN 9 -4.221 -4.441 -6.535
71 HD21 ASN 9 HD21 ASN 9 -3.990 -2.117 -6.110
72 HD22 ASN 9 HD22 ASN 9 -3.236 -1.134 -7.314
73 H SER 10 HN SER 10 -4.474 -4.543 -4.047
74 HA SER 10 HA SER 10 -3.656 -2.196 -2.497
75 HB2 SER 10 HB2 SER 10 -5.769 -1.103 -2.783
76 HB3 SER 10 HB1 SER 10 -5.192 -1.529 -4.394
77 HG SER 10 HG SER 10 -6.534 -3.479 -4.121
78 H ASP 11 HN ASP 11 -3.450 -4.770 -1.594
79 HA ASP 11 HA ASP 11 -5.798 -5.540 -0.126
80 HB2 ASP 11 HB2 ASP 11 -3.930 -7.078 -1.019
81 HB3 ASP 11 HB1 ASP 11 -3.015 -6.564 0.396
82 H CYS 12 HN CYS 12 -5.551 -3.052 0.630
83 HA CYS 12 HA CYS 12 -4.649 -3.253 3.400
84 HB2 CYS 12 HB2 CYS 12 -3.557 -1.412 1.353
85 HB3 CYS 12 HB1 CYS 12 -3.898 -0.708 2.930
86 H ASN 13 HN ASN 13 -5.582 -0.308 1.708
87 HA ASN 13 HA ASN 13 -8.312 -0.453 2.658
88 HB2 ASN 13 HB2 ASN 13 -7.019 2.048 3.547
89 HB3 ASN 13 HB1 ASN 13 -8.246 1.069 4.342
90 HD21 ASN 13 HD21 ASN 13 -5.058 2.036 4.362
91 HD22 ASN 13 HD22 ASN 13 -4.436 0.880 5.485
92 H ILE 14 HN ILE 14 -9.050 2.172 2.411
93 HA ILE 14 HA ILE 14 -9.084 2.494 -0.428
94 HB ILE 14 HB ILE 14 -10.039 4.484 1.627
95 HG12 ILE 14 HG12 ILE 14 -12.284 3.185 0.831
96 HG13 ILE 14 HG11 ILE 14 -11.124 1.861 0.796
97 HG21 ILE 14 HG21 ILE 14 -10.584 4.047 -1.291
98 HG22 ILE 14 HG22 ILE 14 -10.041 5.513 -0.474
99 HG23 ILE 14 HG23 ILE 14 -11.698 4.948 -0.263
100 HD11 ILE 14 HD11 ILE 14 -10.667 3.184 3.208
101 HD12 ILE 14 HD12 ILE 14 -11.452 1.623 2.968
102 HD13 ILE 14 HD13 ILE 14 -12.420 3.096 3.035
103 H ILE 15 HN ILE 15 -6.891 3.445 1.948
104 HA ILE 15 HA ILE 15 -6.041 5.888 0.623
105 HB ILE 15 HB ILE 15 -4.300 4.703 2.694
106 HG12 ILE 15 HG12 ILE 15 -7.076 5.726 3.328
107 HG13 ILE 15 HG11 ILE 15 -6.439 4.121 3.665
108 HG21 ILE 15 HG21 ILE 15 -3.690 6.838 3.019
109 HG22 ILE 15 HG22 ILE 15 -5.349 7.432 2.958
110 HG23 ILE 15 HG23 ILE 15 -4.472 7.108 1.462
111 HD11 ILE 15 HD11 ILE 15 -4.678 5.429 5.071
112 HD12 ILE 15 HD12 ILE 15 -6.288 5.114 5.719
113 HD13 ILE 15 HD13 ILE 15 -5.902 6.699 5.048
114 H TRP 16 HN TRP 16 -4.313 2.991 1.670
115 HA TRP 16 HA TRP 16 -2.407 3.357 -0.496
116 HB2 TRP 16 HB2 TRP 16 -2.331 1.357 1.768
117 HB3 TRP 16 HB1 TRP 16 -0.989 1.854 0.730
118 HD1 TRP 16 HD1 TRP 16 -0.550 4.662 0.859
119 HE1 TRP 16 HE1 TRP 16 -0.430 6.128 2.959
120 HE3 TRP 16 HE3 TRP 16 -2.955 1.576 4.113
121 HZ2 TRP 16 HZ2 TRP 16 -1.226 5.981 5.670
122 HZ3 TRP 16 HZ3 TRP 16 -3.243 2.303 6.449
123 HH2 TRP 16 HH2 TRP 16 -2.393 4.461 7.209
124 H ARG 17 HN ARG 17 -3.032 2.555 -2.362
125 HA ARG 17 HA ARG 17 -4.011 -0.224 -2.418
126 HB2 ARG 17 HB2 ARG 17 -5.166 0.499 -4.586
127 HB3 ARG 17 HB1 ARG 17 -5.876 1.035 -3.070
128 HG2 ARG 17 HG2 ARG 17 -3.912 2.850 -4.322
129 HG3 ARG 17 HG1 ARG 17 -5.460 2.657 -5.147
130 HD2 ARG 17 HD2 ARG 17 -6.657 3.560 -3.399
131 HD3 ARG 17 HD1 ARG 17 -5.429 3.146 -2.205
132 HE ARG 17 HE ARG 17 -4.481 5.185 -2.563
133 HH11 ARG 17 HH11 ARG 17 -6.449 4.397 -5.335
134 HH12 ARG 17 HH12 ARG 17 -6.210 5.932 -6.098
135 HH21 ARG 17 HH21 ARG 17 -4.165 7.205 -3.565
136 HH22 ARG 17 HH22 ARG 17 -4.912 7.527 -5.094
137 H ILE 18 HN ILE 18 -1.315 1.354 -2.882
138 HA ILE 18 HA ILE 18 -0.689 0.135 -5.485
139 HB ILE 18 HB ILE 18 0.876 2.257 -4.012
140 HG12 ILE 18 HG12 ILE 18 -1.254 3.182 -4.689
141 HG13 ILE 18 HG11 ILE 18 -0.002 3.792 -5.763
142 HG21 ILE 18 HG21 ILE 18 1.207 1.889 -6.909
143 HG22 ILE 18 HG22 ILE 18 1.783 0.553 -5.913
144 HG23 ILE 18 HG23 ILE 18 2.412 2.179 -5.654
145 HD11 ILE 18 HD11 ILE 18 -2.211 1.883 -6.320
146 HD12 ILE 18 HD12 ILE 18 -0.724 1.783 -7.264
147 HD13 ILE 18 HD13 ILE 18 -1.661 3.277 -7.249
148 H CYS 19 HN CYS 19 -0.438 -1.949 -4.548
149 HA CYS 19 HA CYS 19 1.253 -2.524 -2.392
150 HB2 CYS 19 HB2 CYS 19 -0.349 -4.164 -3.109
151 HB3 CYS 19 HB1 CYS 19 0.347 -4.219 -4.723
152 H ARG 20 HN ARG 20 3.073 -1.142 -2.855
153 HA ARG 20 HA ARG 20 4.806 -1.800 -5.063
154 HB2 ARG 20 HB2 ARG 20 4.457 0.475 -3.684
155 HB3 ARG 20 HB1 ARG 20 5.806 -0.188 -2.771
156 HG2 ARG 20 HG2 ARG 20 6.773 -0.524 -5.230
157 HG3 ARG 20 HG1 ARG 20 5.704 0.846 -5.538
158 HD2 ARG 20 HD2 ARG 20 6.924 2.267 -4.241
159 HD3 ARG 20 HD1 ARG 20 7.452 0.989 -3.147
160 HE ARG 20 HE ARG 20 9.335 0.787 -4.407
161 HH11 ARG 20 HH11 ARG 20 6.859 2.243 -6.388
162 HH12 ARG 20 HH12 ARG 20 7.910 2.488 -7.742
163 HH21 ARG 20 HH21 ARG 20 10.720 1.109 -6.186
164 HH22 ARG 20 HH22 ARG 20 10.102 1.844 -7.628
165 H ASP 21 HN ASP 21 7.298 -1.532 -3.538
166 HA ASP 21 HA ASP 21 8.181 -4.042 -3.262
167 HB2 ASP 21 HB2 ASP 21 9.394 -1.792 -2.845
168 HB3 ASP 21 HB1 ASP 21 8.973 -2.055 -1.155
169 H GLY 22 HN GLY 22 6.156 -5.131 -2.530
170 HA2 GLY 22 HA2 GLY 22 5.029 -6.381 -0.976
171 HA3 GLY 22 HA1 GLY 22 6.482 -6.255 0.003
172 H CYS 23 HN CYS 23 4.926 -3.302 -0.883
173 HA CYS 23 HA CYS 23 3.499 -3.222 1.677
174 HB2 CYS 23 HB2 CYS 23 5.469 -1.125 0.753
175 HB3 CYS 23 HB1 CYS 23 4.405 -0.965 2.146
176 H CYS 24 HN CYS 24 2.012 -1.354 1.850
177 HA CYS 24 HA CYS 24 0.708 -0.903 -0.718
178 HB2 CYS 24 HB2 CYS 24 -0.255 -0.197 2.062
179 HB3 CYS 24 HB1 CYS 24 -1.207 -0.149 0.583
180 H ASN 25 HN ASN 25 0.864 0.957 -1.792
181 HA ASN 25 HA ASN 25 1.845 3.312 -0.308
182 HB2 ASN 25 HB2 ASN 25 2.397 2.474 -3.155
183 HB3 ASN 25 HB1 ASN 25 2.793 4.065 -2.521
184 HD21 ASN 25 HD21 ASN 25 3.208 0.637 -1.776
185 HD22 ASN 25 HD22 ASN 25 4.832 0.776 -1.217
186 H VAL 26 HN VAL 26 0.987 5.323 -0.776
187 HA VAL 26 HA VAL 26 -1.723 5.246 -1.831
188 HB VAL 26 HB VAL 26 -1.414 7.844 -1.116
189 HG11 VAL 26 HG11 VAL 26 -2.405 5.417 0.214
190 HG12 VAL 26 HG12 VAL 26 -3.234 6.923 -0.174
191 HG13 VAL 26 HG13 VAL 26 -2.189 6.831 1.243
192 HG21 VAL 26 HG21 VAL 26 -0.057 8.144 0.761
193 HG22 VAL 26 HG22 VAL 26 0.957 7.231 -0.354
194 HG23 VAL 26 HG23 VAL 26 0.168 6.411 0.994
195 H ILE 27 HN ILE 27 1.213 5.659 -3.205
196 HA ILE 27 HA ILE 27 0.526 7.926 -4.891
197 HB ILE 27 HB ILE 27 2.831 7.676 -4.065
198 HG12 ILE 27 HG12 ILE 27 3.768 7.508 -6.644
199 HG13 ILE 27 HG11 ILE 27 2.073 7.914 -6.892
200 HG21 ILE 27 HG21 ILE 27 4.112 5.846 -4.338
201 HG22 ILE 27 HG22 ILE 27 3.492 5.523 -5.957
202 HG23 ILE 27 HG23 ILE 27 2.559 5.034 -4.542
203 HD11 ILE 27 HD11 ILE 27 3.607 9.484 -4.898
204 HD12 ILE 27 HD12 ILE 27 2.291 9.978 -5.964
205 HD13 ILE 27 HD13 ILE 27 3.917 9.766 -6.612
Start of MODEL 14
1 H1 GLN 1 HT1 GLN 1 5.853 8.153 4.016
2 H2 GLN 1 HT2 GLN 1 5.022 8.225 5.516
3 H3 GLN 1 HT3 GLN 1 4.586 7.046 4.347
4 HA GLN 1 HA GLN 1 6.931 6.230 4.544
5 HB2 GLN 1 HB2 GLN 1 6.665 7.946 7.020
6 HB3 GLN 1 HB1 GLN 1 7.922 6.741 6.784
7 HG2 GLN 1 HG2 GLN 1 9.117 8.065 5.433
8 HG3 GLN 1 HG1 GLN 1 7.686 8.687 4.611
9 HE21 GLN 1 HE21 GLN 1 6.793 10.582 5.266
10 HE22 GLN 1 HE22 GLN 1 7.474 11.595 6.489
11 H LEU 2 HN LEU 2 5.270 4.572 4.393
12 HA LEU 2 HA LEU 2 4.998 3.140 6.869
13 HB2 LEU 2 HB2 LEU 2 2.981 4.883 6.401
14 HB3 LEU 2 HB1 LEU 2 2.373 3.472 5.557
15 HG LEU 2 HG LEU 2 2.822 2.192 7.737
16 HD11 LEU 2 HD11 LEU 2 4.115 4.353 8.558
17 HD12 LEU 2 HD12 LEU 2 3.254 3.296 9.678
18 HD13 LEU 2 HD13 LEU 2 2.504 4.794 9.126
19 HD21 LEU 2 HD21 LEU 2 0.639 2.477 8.329
20 HD22 LEU 2 HD22 LEU 2 0.604 3.223 6.731
21 HD23 LEU 2 HD23 LEU 2 0.708 4.232 8.174
22 H CYS 3 HN CYS 3 6.026 1.416 5.959
23 HA CYS 3 HA CYS 3 5.343 0.409 3.367
24 HB2 CYS 3 HB2 CYS 3 7.527 0.158 5.002
25 HB3 CYS 3 HB1 CYS 3 6.765 -1.419 5.180
26 H LEU 4 HN LEU 4 2.975 0.398 4.158
27 HA LEU 4 HA LEU 4 2.007 -1.584 5.876
28 HB2 LEU 4 HB2 LEU 4 0.931 0.378 4.149
29 HB3 LEU 4 HB1 LEU 4 0.185 -1.143 3.702
30 HG LEU 4 HG LEU 4 -0.027 -1.198 6.435
31 HD11 LEU 4 HD11 LEU 4 -0.076 1.636 5.496
32 HD12 LEU 4 HD12 LEU 4 0.608 0.953 6.971
33 HD13 LEU 4 HD13 LEU 4 -1.139 1.120 6.804
34 HD21 LEU 4 HD21 LEU 4 -1.779 -1.834 4.925
35 HD22 LEU 4 HD22 LEU 4 -1.961 -0.171 4.364
36 HD23 LEU 4 HD23 LEU 4 -2.403 -0.599 6.018
37 H GLN 5 HN GLN 5 2.685 -3.657 5.633
38 HA GLN 5 HA GLN 5 3.468 -5.049 3.452
39 HB2 GLN 5 HB2 GLN 5 2.457 -7.102 4.576
40 HB3 GLN 5 HB1 GLN 5 3.590 -6.155 5.529
41 HG2 GLN 5 HG2 GLN 5 1.378 -4.968 6.338
42 HG3 GLN 5 HG1 GLN 5 0.660 -6.502 5.849
43 HE21 GLN 5 HE21 GLN 5 3.697 -5.577 7.439
44 HE22 GLN 5 HE22 GLN 5 3.506 -6.630 8.797
45 H CYS 6 HN CYS 6 2.597 -5.252 1.498
46 HA CYS 6 HA CYS 6 -0.325 -5.348 1.257
47 HB2 CYS 6 HB2 CYS 6 -0.045 -4.631 -1.031
48 HB3 CYS 6 HB1 CYS 6 0.888 -3.564 0.011
49 H ARG 7 HN ARG 7 -1.140 -6.720 -0.600
50 HA ARG 7 HA ARG 7 0.383 -9.236 -0.682
51 HB2 ARG 7 HB2 ARG 7 -2.500 -8.701 -0.184
52 HB3 ARG 7 HB1 ARG 7 -2.088 -10.145 -1.099
53 HG2 ARG 7 HG2 ARG 7 -0.563 -9.711 1.385
54 HG3 ARG 7 HG1 ARG 7 -2.279 -10.080 1.573
55 HD2 ARG 7 HD2 ARG 7 -0.352 -11.713 -0.073
56 HD3 ARG 7 HD1 ARG 7 -0.799 -12.084 1.591
57 HE ARG 7 HE ARG 7 -2.353 -12.572 -0.764
58 HH11 ARG 7 HH11 ARG 7 -2.528 -11.949 2.665
59 HH12 ARG 7 HH12 ARG 7 -4.069 -12.717 2.852
60 HH21 ARG 7 HH21 ARG 7 -4.380 -13.582 -0.520
61 HH22 ARG 7 HH22 ARG 7 -5.120 -13.645 1.045
62 H SER 8 HN SER 8 -2.475 -8.012 -2.392
63 HA SER 8 HA SER 8 -1.322 -8.947 -4.902
64 HB2 SER 8 HB2 SER 8 -3.802 -7.960 -5.548
65 HB3 SER 8 HB1 SER 8 -3.464 -9.632 -5.100
66 HG SER 8 HG SER 8 -4.202 -7.569 -3.293
67 H ASN 9 HN ASN 9 -3.479 -6.167 -4.514
68 HA ASN 9 HA ASN 9 -1.384 -4.452 -5.661
69 HB2 ASN 9 HB2 ASN 9 -2.979 -5.112 -7.424
70 HB3 ASN 9 HB1 ASN 9 -4.299 -4.454 -6.463
71 HD21 ASN 9 HD21 ASN 9 -4.214 -2.153 -5.970
72 HD22 ASN 9 HD22 ASN 9 -3.513 -1.078 -7.126
73 H SER 10 HN SER 10 -4.471 -4.557 -3.943
74 HA SER 10 HA SER 10 -3.591 -2.298 -2.317
75 HB2 SER 10 HB2 SER 10 -5.713 -1.126 -2.561
76 HB3 SER 10 HB1 SER 10 -4.986 -1.360 -4.152
77 HG SER 10 HG SER 10 -7.128 -1.931 -4.298
78 H ASP 11 HN ASP 11 -3.581 -4.930 -1.557
79 HA ASP 11 HA ASP 11 -6.015 -5.608 -0.179
80 HB2 ASP 11 HB2 ASP 11 -4.227 -7.214 -1.169
81 HB3 ASP 11 HB1 ASP 11 -3.358 -6.914 0.333
82 H CYS 12 HN CYS 12 -5.605 -3.229 0.770
83 HA CYS 12 HA CYS 12 -4.802 -3.700 3.527
84 HB2 CYS 12 HB2 CYS 12 -3.794 -1.128 2.979
85 HB3 CYS 12 HB1 CYS 12 -2.880 -2.574 3.388
86 H ASN 13 HN ASN 13 -5.344 -0.601 1.914
87 HA ASN 13 HA ASN 13 -8.038 -0.454 3.023
88 HB2 ASN 13 HB2 ASN 13 -6.532 2.016 3.529
89 HB3 ASN 13 HB1 ASN 13 -7.662 1.153 4.566
90 HD21 ASN 13 HD21 ASN 13 -4.618 2.206 4.375
91 HD22 ASN 13 HD22 ASN 13 -3.822 1.054 5.385
92 H ILE 14 HN ILE 14 -8.552 2.211 2.585
93 HA ILE 14 HA ILE 14 -8.703 2.265 -0.304
94 HB ILE 14 HB ILE 14 -9.750 4.335 1.623
95 HG12 ILE 14 HG12 ILE 14 -11.943 2.924 0.945
96 HG13 ILE 14 HG11 ILE 14 -10.747 1.632 0.914
97 HG21 ILE 14 HG21 ILE 14 -10.161 3.741 -1.275
98 HG22 ILE 14 HG22 ILE 14 -9.864 5.285 -0.476
99 HG23 ILE 14 HG23 ILE 14 -11.444 4.513 -0.342
100 HD11 ILE 14 HD11 ILE 14 -12.098 2.296 3.100
101 HD12 ILE 14 HD12 ILE 14 -10.741 3.407 3.275
102 HD13 ILE 14 HD13 ILE 14 -10.449 1.672 3.154
103 H ILE 15 HN ILE 15 -6.656 3.568 2.090
104 HA ILE 15 HA ILE 15 -5.899 5.946 0.655
105 HB ILE 15 HB ILE 15 -4.092 4.769 2.704
106 HG12 ILE 15 HG12 ILE 15 -6.805 5.961 3.302
107 HG13 ILE 15 HG11 ILE 15 -6.216 4.365 3.756
108 HG21 ILE 15 HG21 ILE 15 -4.152 7.123 1.352
109 HG22 ILE 15 HG22 ILE 15 -3.333 6.869 2.893
110 HG23 ILE 15 HG23 ILE 15 -4.953 7.566 2.860
111 HD11 ILE 15 HD11 ILE 15 -4.405 5.701 5.055
112 HD12 ILE 15 HD12 ILE 15 -6.027 5.522 5.726
113 HD13 ILE 15 HD13 ILE 15 -5.564 7.024 4.926
114 H TRP 16 HN TRP 16 -4.045 3.100 1.619
115 HA TRP 16 HA TRP 16 -2.234 3.531 -0.618
116 HB2 TRP 16 HB2 TRP 16 -2.007 1.536 1.640
117 HB3 TRP 16 HB1 TRP 16 -0.725 2.068 0.547
118 HD1 TRP 16 HD1 TRP 16 -0.409 4.905 0.647
119 HE1 TRP 16 HE1 TRP 16 -0.214 6.366 2.745
120 HE3 TRP 16 HE3 TRP 16 -2.458 1.703 4.018
121 HZ2 TRP 16 HZ2 TRP 16 -0.830 6.169 5.503
122 HZ3 TRP 16 HZ3 TRP 16 -2.628 2.399 6.374
123 HH2 TRP 16 HH2 TRP 16 -1.829 4.588 7.099
124 H ARG 17 HN ARG 17 -3.062 2.753 -2.439
125 HA ARG 17 HA ARG 17 -3.958 -0.054 -2.447
126 HB2 ARG 17 HB2 ARG 17 -5.153 0.639 -4.602
127 HB3 ARG 17 HB1 ARG 17 -5.828 1.212 -3.083
128 HG2 ARG 17 HG2 ARG 17 -4.718 3.377 -3.427
129 HG3 ARG 17 HG1 ARG 17 -4.103 2.796 -4.975
130 HD2 ARG 17 HD2 ARG 17 -6.230 2.732 -5.933
131 HD3 ARG 17 HD1 ARG 17 -7.037 2.752 -4.364
132 HE ARG 17 HE ARG 17 -6.989 5.028 -4.433
133 HH11 ARG 17 HH11 ARG 17 -4.569 3.817 -6.637
134 HH12 ARG 17 HH12 ARG 17 -4.167 5.384 -7.254
135 HH21 ARG 17 HH21 ARG 17 -6.461 7.090 -5.244
136 HH22 ARG 17 HH22 ARG 17 -5.241 7.243 -6.462
137 H ILE 18 HN ILE 18 -1.249 1.434 -2.928
138 HA ILE 18 HA ILE 18 -0.673 0.213 -5.542
139 HB ILE 18 HB ILE 18 1.029 2.259 -4.123
140 HG12 ILE 18 HG12 ILE 18 -1.219 3.188 -4.603
141 HG13 ILE 18 HG11 ILE 18 0.042 3.959 -5.561
142 HG21 ILE 18 HG21 ILE 18 1.739 2.603 -6.590
143 HG22 ILE 18 HG22 ILE 18 1.029 1.007 -6.839
144 HG23 ILE 18 HG23 ILE 18 2.360 1.212 -5.701
145 HD11 ILE 18 HD11 ILE 18 -2.250 3.193 -6.614
146 HD12 ILE 18 HD12 ILE 18 -1.389 1.660 -6.761
147 HD13 ILE 18 HD13 ILE 18 -0.737 3.115 -7.517
148 H CYS 19 HN CYS 19 -0.467 -1.860 -4.566
149 HA CYS 19 HA CYS 19 1.225 -2.445 -2.424
150 HB2 CYS 19 HB2 CYS 19 -0.402 -4.064 -3.117
151 HB3 CYS 19 HB1 CYS 19 0.278 -4.142 -4.737
152 H ARG 20 HN ARG 20 3.098 -1.151 -2.853
153 HA ARG 20 HA ARG 20 4.808 -1.836 -5.073
154 HB2 ARG 20 HB2 ARG 20 4.544 0.431 -3.658
155 HB3 ARG 20 HB1 ARG 20 5.873 -0.294 -2.764
156 HG2 ARG 20 HG2 ARG 20 7.347 0.034 -4.433
157 HG3 ARG 20 HG1 ARG 20 6.159 -0.311 -5.692
158 HD2 ARG 20 HD2 ARG 20 5.181 2.010 -4.744
159 HD3 ARG 20 HD1 ARG 20 6.897 2.246 -4.419
160 HE ARG 20 HE ARG 20 6.262 1.345 -7.093
161 HH11 ARG 20 HH11 ARG 20 6.826 4.091 -5.010
162 HH12 ARG 20 HH12 ARG 20 7.237 5.152 -6.316
163 HH21 ARG 20 HH21 ARG 20 6.802 2.741 -8.807
164 HH22 ARG 20 HH22 ARG 20 7.222 4.387 -8.470
165 H ASP 21 HN ASP 21 7.313 -1.707 -3.595
166 HA ASP 21 HA ASP 21 8.082 -4.252 -3.339
167 HB2 ASP 21 HB2 ASP 21 8.943 -2.068 -1.435
168 HB3 ASP 21 HB1 ASP 21 9.843 -3.535 -1.809
169 H GLY 22 HN GLY 22 6.033 -5.259 -2.559
170 HA2 GLY 22 HA2 GLY 22 4.912 -6.484 -0.980
171 HA3 GLY 22 HA1 GLY 22 6.380 -6.381 -0.021
172 H CYS 23 HN CYS 23 4.932 -3.383 -0.888
173 HA CYS 23 HA CYS 23 3.497 -3.262 1.667
174 HB2 CYS 23 HB2 CYS 23 5.420 -1.113 0.766
175 HB3 CYS 23 HB1 CYS 23 4.502 -1.149 2.268
176 H CYS 24 HN CYS 24 2.156 -1.232 1.832
177 HA CYS 24 HA CYS 24 0.840 -0.805 -0.738
178 HB2 CYS 24 HB2 CYS 24 -0.101 0.067 1.996
179 HB3 CYS 24 HB1 CYS 24 -1.044 0.015 0.512
180 H ASN 25 HN ASN 25 0.889 1.059 -1.814
181 HA ASN 25 HA ASN 25 1.989 3.415 -0.417
182 HB2 ASN 25 HB2 ASN 25 2.532 2.483 -3.237
183 HB3 ASN 25 HB1 ASN 25 2.945 4.090 -2.656
184 HD21 ASN 25 HD21 ASN 25 3.315 0.689 -1.776
185 HD22 ASN 25 HD22 ASN 25 4.943 0.827 -1.231
186 H VAL 26 HN VAL 26 1.179 5.440 -0.990
187 HA VAL 26 HA VAL 26 -1.545 5.347 -2.008
188 HB VAL 26 HB VAL 26 -1.205 7.969 -1.419
189 HG11 VAL 26 HG11 VAL 26 -3.019 7.104 -0.429
190 HG12 VAL 26 HG12 VAL 26 -1.966 7.022 0.984
191 HG13 VAL 26 HG13 VAL 26 -2.207 5.595 -0.025
192 HG21 VAL 26 HG21 VAL 26 1.168 7.360 -0.639
193 HG22 VAL 26 HG22 VAL 26 0.373 6.613 0.747
194 HG23 VAL 26 HG23 VAL 26 0.168 8.335 0.437
195 H ILE 27 HN ILE 27 1.179 5.396 -3.564
196 HA ILE 27 HA ILE 27 1.487 7.616 -5.113
197 HB ILE 27 HB ILE 27 1.838 4.704 -5.592
198 HG12 ILE 27 HG12 ILE 27 3.991 6.630 -6.172
199 HG13 ILE 27 HG11 ILE 27 3.401 6.660 -4.513
200 HG21 ILE 27 HG21 ILE 27 1.798 6.782 -7.737
201 HG22 ILE 27 HG22 ILE 27 1.235 5.111 -7.780
202 HG23 ILE 27 HG23 ILE 27 2.962 5.462 -7.835
203 HD11 ILE 27 HD11 ILE 27 4.617 4.361 -6.006
204 HD12 ILE 27 HD12 ILE 27 3.755 4.163 -4.480
205 HD13 ILE 27 HD13 ILE 27 5.209 5.160 -4.549
Start of MODEL 15
1 H1 GLN 1 HT1 GLN 1 8.505 6.376 5.485
2 H2 GLN 1 HT2 GLN 1 7.533 6.949 6.778
3 H3 GLN 1 HT3 GLN 1 7.786 7.930 5.395
4 HA GLN 1 HA GLN 1 5.687 7.096 5.129
5 HB2 GLN 1 HB2 GLN 1 7.696 5.397 3.638
6 HB3 GLN 1 HB1 GLN 1 5.990 5.492 3.219
7 HG2 GLN 1 HG2 GLN 1 6.202 7.505 2.251
8 HG3 GLN 1 HG1 GLN 1 7.371 8.075 3.442
9 HE21 GLN 1 HE21 GLN 1 9.286 8.484 2.632
10 HE22 GLN 1 HE22 GLN 1 10.026 7.683 1.292
11 H LEU 2 HN LEU 2 4.263 5.162 4.906
12 HA LEU 2 HA LEU 2 4.866 3.248 7.050
13 HB2 LEU 2 HB2 LEU 2 2.688 4.827 6.754
14 HB3 LEU 2 HB1 LEU 2 2.135 3.379 5.934
15 HG LEU 2 HG LEU 2 1.404 3.266 8.207
16 HD11 LEU 2 HD11 LEU 2 3.707 1.449 8.465
17 HD12 LEU 2 HD12 LEU 2 2.752 1.280 6.992
18 HD13 LEU 2 HD13 LEU 2 1.978 1.118 8.569
19 HD21 LEU 2 HD21 LEU 2 4.222 4.054 8.812
20 HD22 LEU 2 HD22 LEU 2 3.285 3.145 9.999
21 HD23 LEU 2 HD23 LEU 2 2.711 4.716 9.437
22 H CYS 3 HN CYS 3 6.035 1.706 5.940
23 HA CYS 3 HA CYS 3 5.238 0.650 3.423
24 HB2 CYS 3 HB2 CYS 3 7.535 0.553 4.874
25 HB3 CYS 3 HB1 CYS 3 6.904 -1.065 5.156
26 H LEU 4 HN LEU 4 2.938 0.382 4.182
27 HA LEU 4 HA LEU 4 2.230 -1.706 5.956
28 HB2 LEU 4 HB2 LEU 4 0.882 0.137 4.145
29 HB3 LEU 4 HB1 LEU 4 0.111 -1.436 4.187
30 HG LEU 4 HG LEU 4 0.447 -0.948 6.849
31 HD11 LEU 4 HD11 LEU 4 1.128 1.452 5.841
32 HD12 LEU 4 HD12 LEU 4 0.353 1.230 7.410
33 HD13 LEU 4 HD13 LEU 4 -0.616 1.663 6.001
34 HD21 LEU 4 HD21 LEU 4 -1.938 -0.436 6.870
35 HD22 LEU 4 HD22 LEU 4 -1.582 -1.752 5.750
36 HD23 LEU 4 HD23 LEU 4 -1.895 -0.129 5.134
37 H GLN 5 HN GLN 5 2.841 -3.760 5.603
38 HA GLN 5 HA GLN 5 3.653 -5.000 3.337
39 HB2 GLN 5 HB2 GLN 5 3.182 -5.844 5.854
40 HB3 GLN 5 HB1 GLN 5 1.864 -6.654 5.019
41 HG2 GLN 5 HG2 GLN 5 3.246 -8.042 3.880
42 HG3 GLN 5 HG1 GLN 5 4.559 -6.865 3.818
43 HE21 GLN 5 HE21 GLN 5 5.176 -6.267 6.277
44 HE22 GLN 5 HE22 GLN 5 5.604 -7.657 7.211
45 H CYS 6 HN CYS 6 2.788 -5.272 1.387
46 HA CYS 6 HA CYS 6 -0.138 -5.342 1.146
47 HB2 CYS 6 HB2 CYS 6 0.134 -4.636 -1.143
48 HB3 CYS 6 HB1 CYS 6 1.088 -3.571 -0.117
49 H ARG 7 HN ARG 7 -1.143 -6.899 -0.206
50 HA ARG 7 HA ARG 7 0.450 -9.349 -0.457
51 HB2 ARG 7 HB2 ARG 7 -2.034 -8.895 0.731
52 HB3 ARG 7 HB1 ARG 7 -2.405 -9.730 -0.771
53 HG2 ARG 7 HG2 ARG 7 -0.703 -11.458 -0.105
54 HG3 ARG 7 HG1 ARG 7 -0.645 -10.673 1.474
55 HD2 ARG 7 HD2 ARG 7 -2.732 -11.380 2.057
56 HD3 ARG 7 HD1 ARG 7 -3.315 -11.378 0.394
57 HE ARG 7 HE ARG 7 -2.650 -13.562 0.190
58 HH11 ARG 7 HH11 ARG 7 -1.208 -12.198 3.060
59 HH12 ARG 7 HH12 ARG 7 -0.605 -13.717 3.631
60 HH21 ARG 7 HH21 ARG 7 -1.858 -15.562 0.939
61 HH22 ARG 7 HH22 ARG 7 -0.973 -15.627 2.426
62 H SER 8 HN SER 8 -2.500 -8.209 -2.065
63 HA SER 8 HA SER 8 -1.510 -9.278 -4.581
64 HB2 SER 8 HB2 SER 8 -3.957 -8.196 -5.167
65 HB3 SER 8 HB1 SER 8 -3.696 -9.852 -4.622
66 HG SER 8 HG SER 8 -4.807 -9.347 -2.926
67 H ASN 9 HN ASN 9 -3.486 -6.366 -4.224
68 HA ASN 9 HA ASN 9 -1.342 -4.771 -5.418
69 HB2 ASN 9 HB2 ASN 9 -2.802 -5.573 -7.253
70 HB3 ASN 9 HB1 ASN 9 -4.179 -4.811 -6.462
71 HD21 ASN 9 HD21 ASN 9 -4.117 -2.492 -6.193
72 HD22 ASN 9 HD22 ASN 9 -3.279 -1.526 -7.355
73 H SER 10 HN SER 10 -4.583 -4.750 -4.003
74 HA SER 10 HA SER 10 -3.859 -2.286 -2.585
75 HB2 SER 10 HB2 SER 10 -5.929 -1.255 -3.037
76 HB3 SER 10 HB1 SER 10 -5.454 -1.953 -4.585
77 HG SER 10 HG SER 10 -7.079 -3.300 -4.479
78 H ASP 11 HN ASP 11 -3.653 -4.922 -1.610
79 HA ASP 11 HA ASP 11 -5.961 -5.537 -0.015
80 HB2 ASP 11 HB2 ASP 11 -3.934 -7.054 -0.915
81 HB3 ASP 11 HB1 ASP 11 -3.316 -6.689 0.692
82 H CYS 12 HN CYS 12 -5.589 -3.024 0.614
83 HA CYS 12 HA CYS 12 -4.633 -3.137 3.364
84 HB2 CYS 12 HB2 CYS 12 -3.427 -1.513 1.211
85 HB3 CYS 12 HB1 CYS 12 -3.719 -0.672 2.731
86 H ASN 13 HN ASN 13 -5.467 -0.317 1.399
87 HA ASN 13 HA ASN 13 -8.160 -0.182 2.350
88 HB2 ASN 13 HB2 ASN 13 -7.954 1.795 3.749
89 HB3 ASN 13 HB1 ASN 13 -6.926 0.515 4.386
90 HD21 ASN 13 HD21 ASN 13 -6.418 2.967 5.229
91 HD22 ASN 13 HD22 ASN 13 -4.988 3.608 4.502
92 H ILE 14 HN ILE 14 -8.940 2.278 1.965
93 HA ILE 14 HA ILE 14 -8.802 2.685 -0.809
94 HB ILE 14 HB ILE 14 -9.613 4.741 1.245
95 HG12 ILE 14 HG12 ILE 14 -10.841 2.695 1.675
96 HG13 ILE 14 HG11 ILE 14 -11.915 3.860 0.907
97 HG21 ILE 14 HG21 ILE 14 -9.816 4.532 -1.693
98 HG22 ILE 14 HG22 ILE 14 -9.689 5.955 -0.660
99 HG23 ILE 14 HG23 ILE 14 -11.240 5.140 -0.849
100 HD11 ILE 14 HD11 ILE 14 -10.818 2.414 -1.196
101 HD12 ILE 14 HD12 ILE 14 -12.446 2.268 -0.532
102 HD13 ILE 14 HD13 ILE 14 -11.156 1.219 0.057
103 H ILE 15 HN ILE 15 -6.839 3.870 1.782
104 HA ILE 15 HA ILE 15 -5.665 6.056 0.344
105 HB ILE 15 HB ILE 15 -4.236 4.728 2.608
106 HG12 ILE 15 HG12 ILE 15 -6.698 6.453 2.920
107 HG13 ILE 15 HG11 ILE 15 -6.571 4.752 3.341
108 HG21 ILE 15 HG21 ILE 15 -3.958 7.209 3.194
109 HG22 ILE 15 HG22 ILE 15 -4.581 7.515 1.573
110 HG23 ILE 15 HG23 ILE 15 -3.099 6.585 1.788
111 HD11 ILE 15 HD11 ILE 15 -5.658 7.128 4.791
112 HD12 ILE 15 HD12 ILE 15 -4.546 5.758 4.798
113 HD13 ILE 15 HD13 ILE 15 -6.195 5.561 5.394
114 H TRP 16 HN TRP 16 -4.201 3.083 1.566
115 HA TRP 16 HA TRP 16 -2.206 3.225 -0.544
116 HB2 TRP 16 HB2 TRP 16 -2.325 1.323 1.796
117 HB3 TRP 16 HB1 TRP 16 -0.921 1.730 0.805
118 HD1 TRP 16 HD1 TRP 16 -0.326 4.494 0.884
119 HE1 TRP 16 HE1 TRP 16 -0.225 6.022 2.918
120 HE3 TRP 16 HE3 TRP 16 -3.119 1.695 4.067
121 HZ2 TRP 16 HZ2 TRP 16 -1.195 6.032 5.585
122 HZ3 TRP 16 HZ3 TRP 16 -3.496 2.522 6.356
123 HH2 TRP 16 HH2 TRP 16 -2.555 4.651 7.093
124 H ARG 17 HN ARG 17 -2.927 2.423 -2.387
125 HA ARG 17 HA ARG 17 -3.950 -0.335 -2.373
126 HB2 ARG 17 HB2 ARG 17 -5.174 0.364 -4.509
127 HB3 ARG 17 HB1 ARG 17 -5.829 0.930 -2.979
128 HG2 ARG 17 HG2 ARG 17 -4.883 3.110 -3.316
129 HG3 ARG 17 HG1 ARG 17 -4.040 2.563 -4.766
130 HD2 ARG 17 HD2 ARG 17 -7.023 2.768 -4.374
131 HD3 ARG 17 HD1 ARG 17 -6.019 3.799 -5.393
132 HE ARG 17 HE ARG 17 -5.588 1.273 -6.336
133 HH11 ARG 17 HH11 ARG 17 -8.409 3.264 -5.836
134 HH12 ARG 17 HH12 ARG 17 -9.298 2.550 -7.140
135 HH21 ARG 17 HH21 ARG 17 -6.754 0.333 -8.051
136 HH22 ARG 17 HH22 ARG 17 -8.359 0.885 -8.397
137 H ILE 18 HN ILE 18 -1.310 1.383 -3.042
138 HA ILE 18 HA ILE 18 -0.749 0.071 -5.611
139 HB ILE 18 HB ILE 18 0.942 2.159 -4.240
140 HG12 ILE 18 HG12 ILE 18 -1.332 3.041 -4.704
141 HG13 ILE 18 HG11 ILE 18 -0.093 3.828 -5.677
142 HG21 ILE 18 HG21 ILE 18 1.010 0.736 -6.835
143 HG22 ILE 18 HG22 ILE 18 2.332 1.299 -5.812
144 HG23 ILE 18 HG23 ILE 18 1.464 2.440 -6.840
145 HD11 ILE 18 HD11 ILE 18 -1.437 1.495 -6.883
146 HD12 ILE 18 HD12 ILE 18 -0.909 3.010 -7.614
147 HD13 ILE 18 HD13 ILE 18 -2.402 2.956 -6.676
148 H CYS 19 HN CYS 19 -0.457 -2.002 -4.651
149 HA CYS 19 HA CYS 19 1.262 -2.552 -2.527
150 HB2 CYS 19 HB2 CYS 19 -0.304 -4.220 -3.270
151 HB3 CYS 19 HB1 CYS 19 0.419 -4.259 -4.873
152 H ARG 20 HN ARG 20 3.068 -1.155 -2.942
153 HA ARG 20 HA ARG 20 4.815 -1.733 -5.163
154 HB2 ARG 20 HB2 ARG 20 4.435 0.498 -3.720
155 HB3 ARG 20 HB1 ARG 20 5.794 -0.172 -2.828
156 HG2 ARG 20 HG2 ARG 20 7.251 0.339 -4.442
157 HG3 ARG 20 HG1 ARG 20 6.166 -0.203 -5.724
158 HD2 ARG 20 HD2 ARG 20 6.119 2.004 -6.213
159 HD3 ARG 20 HD1 ARG 20 4.879 2.022 -4.960
160 HE ARG 20 HE ARG 20 7.168 2.433 -3.576
161 HH11 ARG 20 HH11 ARG 20 5.750 3.976 -6.367
162 HH12 ARG 20 HH12 ARG 20 6.444 5.524 -6.018
163 HH21 ARG 20 HH21 ARG 20 8.082 4.467 -3.118
164 HH22 ARG 20 HH22 ARG 20 7.768 5.802 -4.175
165 H ASP 21 HN ASP 21 7.309 -1.499 -3.680
166 HA ASP 21 HA ASP 21 8.186 -4.020 -3.443
167 HB2 ASP 21 HB2 ASP 21 8.951 -1.757 -1.590
168 HB3 ASP 21 HB1 ASP 21 9.893 -3.222 -1.847
169 H GLY 22 HN GLY 22 6.191 -5.116 -2.664
170 HA2 GLY 22 HA2 GLY 22 5.101 -6.367 -1.085
171 HA3 GLY 22 HA1 GLY 22 6.569 -6.228 -0.130
172 H CYS 23 HN CYS 23 5.000 -3.283 -1.004
173 HA CYS 23 HA CYS 23 3.637 -3.187 1.596
174 HB2 CYS 23 HB2 CYS 23 5.519 -1.069 0.544
175 HB3 CYS 23 HB1 CYS 23 4.505 -0.897 1.973
176 H CYS 24 HN CYS 24 2.188 -1.246 1.775
177 HA CYS 24 HA CYS 24 0.765 -0.908 -0.758
178 HB2 CYS 24 HB2 CYS 24 -0.150 -0.243 2.048
179 HB3 CYS 24 HB1 CYS 24 -1.139 -0.211 0.593
180 H ASN 25 HN ASN 25 0.922 0.934 -1.858
181 HA ASN 25 HA ASN 25 1.831 3.334 -0.396
182 HB2 ASN 25 HB2 ASN 25 2.343 2.472 -3.239
183 HB3 ASN 25 HB1 ASN 25 2.660 4.104 -2.671
184 HD21 ASN 25 HD21 ASN 25 3.289 0.738 -1.814
185 HD22 ASN 25 HD22 ASN 25 4.919 0.987 -1.314
186 H VAL 26 HN VAL 26 0.662 5.161 -0.493
187 HA VAL 26 HA VAL 26 -1.901 5.025 -1.843
188 HB VAL 26 HB VAL 26 -1.970 5.696 0.474
189 HG11 VAL 26 HG11 VAL 26 -0.690 7.244 1.448
190 HG12 VAL 26 HG12 VAL 26 -0.793 8.344 0.075
191 HG13 VAL 26 HG13 VAL 26 0.356 7.007 0.047
192 HG21 VAL 26 HG21 VAL 26 -3.087 7.188 -1.683
193 HG22 VAL 26 HG22 VAL 26 -2.783 8.267 -0.322
194 HG23 VAL 26 HG23 VAL 26 -3.774 6.828 -0.103
195 H ILE 27 HN ILE 27 0.377 5.323 -3.499
196 HA ILE 27 HA ILE 27 0.444 8.112 -4.316
197 HB ILE 27 HB ILE 27 1.818 5.778 -5.643
198 HG12 ILE 27 HG12 ILE 27 3.051 7.650 -3.624
199 HG13 ILE 27 HG11 ILE 27 2.351 6.100 -3.166
200 HG21 ILE 27 HG21 ILE 27 1.945 7.526 -7.138
201 HG22 ILE 27 HG22 ILE 27 3.420 7.757 -6.198
202 HG23 ILE 27 HG23 ILE 27 1.999 8.748 -5.867
203 HD11 ILE 27 HD11 ILE 27 4.206 5.047 -3.738
204 HD12 ILE 27 HD12 ILE 27 4.952 6.616 -4.042
205 HD13 ILE 27 HD13 ILE 27 4.161 5.746 -5.357
Start of MODEL 16
1 H1 GLN 1 HT1 GLN 1 5.568 7.859 6.042
2 H2 GLN 1 HT2 GLN 1 4.143 7.502 5.155
3 H3 GLN 1 HT3 GLN 1 5.330 8.550 4.493
4 HA GLN 1 HA GLN 1 5.402 6.387 3.499
5 HB2 GLN 1 HB2 GLN 1 7.648 7.460 5.165
6 HB3 GLN 1 HB1 GLN 1 7.883 5.966 4.270
7 HG2 GLN 1 HG2 GLN 1 6.719 8.135 2.693
8 HG3 GLN 1 HG1 GLN 1 8.338 8.468 3.307
9 HE21 GLN 1 HE21 GLN 1 6.936 5.377 2.352
10 HE22 GLN 1 HE22 GLN 1 8.044 5.066 1.064
11 H LEU 2 HN LEU 2 3.831 5.016 4.586
12 HA LEU 2 HA LEU 2 4.983 3.343 6.713
13 HB2 LEU 2 HB2 LEU 2 2.601 4.602 6.721
14 HB3 LEU 2 HB1 LEU 2 2.122 3.080 5.996
15 HG LEU 2 HG LEU 2 2.934 1.855 7.931
16 HD11 LEU 2 HD11 LEU 2 3.591 3.271 9.962
17 HD12 LEU 2 HD12 LEU 2 3.907 4.555 8.796
18 HD13 LEU 2 HD13 LEU 2 4.795 3.035 8.694
19 HD21 LEU 2 HD21 LEU 2 0.930 4.003 8.168
20 HD22 LEU 2 HD22 LEU 2 1.476 3.287 9.685
21 HD23 LEU 2 HD23 LEU 2 0.773 2.266 8.430
22 H CYS 3 HN CYS 3 5.998 1.641 5.848
23 HA CYS 3 HA CYS 3 5.278 0.481 3.350
24 HB2 CYS 3 HB2 CYS 3 7.541 0.458 4.820
25 HB3 CYS 3 HB1 CYS 3 6.894 -1.122 5.245
26 H LEU 4 HN LEU 4 2.945 0.300 4.156
27 HA LEU 4 HA LEU 4 2.216 -1.751 5.957
28 HB2 LEU 4 HB2 LEU 4 0.891 0.084 4.131
29 HB3 LEU 4 HB1 LEU 4 0.107 -1.481 4.166
30 HG LEU 4 HG LEU 4 0.432 -0.991 6.832
31 HD11 LEU 4 HD11 LEU 4 0.014 1.638 5.432
32 HD12 LEU 4 HD12 LEU 4 1.250 1.220 6.620
33 HD13 LEU 4 HD13 LEU 4 -0.438 1.355 7.113
34 HD21 LEU 4 HD21 LEU 4 -1.951 -0.493 6.840
35 HD22 LEU 4 HD22 LEU 4 -1.588 -1.797 5.710
36 HD23 LEU 4 HD23 LEU 4 -1.902 -0.170 5.106
37 H GLN 5 HN GLN 5 2.848 -3.804 5.633
38 HA GLN 5 HA GLN 5 3.628 -5.097 3.390
39 HB2 GLN 5 HB2 GLN 5 2.380 -5.969 5.917
40 HB3 GLN 5 HB1 GLN 5 2.298 -7.133 4.602
41 HG2 GLN 5 HG2 GLN 5 4.489 -7.584 4.694
42 HG3 GLN 5 HG1 GLN 5 4.929 -5.902 4.982
43 HE21 GLN 5 HE21 GLN 5 6.082 -5.814 6.770
44 HE22 GLN 5 HE22 GLN 5 5.707 -6.600 8.262
45 H CYS 6 HN CYS 6 2.741 -5.357 1.449
46 HA CYS 6 HA CYS 6 -0.185 -5.462 1.240
47 HB2 CYS 6 HB2 CYS 6 0.067 -4.790 -1.067
48 HB3 CYS 6 HB1 CYS 6 1.003 -3.697 -0.056
49 H ARG 7 HN ARG 7 -1.018 -6.880 -0.581
50 HA ARG 7 HA ARG 7 0.543 -9.370 -0.675
51 HB2 ARG 7 HB2 ARG 7 -1.865 -9.021 0.629
52 HB3 ARG 7 HB1 ARG 7 -2.344 -9.732 -0.906
53 HG2 ARG 7 HG2 ARG 7 -0.747 -11.573 -0.513
54 HG3 ARG 7 HG1 ARG 7 -0.376 -10.875 1.065
55 HD2 ARG 7 HD2 ARG 7 -2.903 -11.017 1.496
56 HD3 ARG 7 HD1 ARG 7 -2.942 -12.099 0.105
57 HE ARG 7 HE ARG 7 -1.931 -12.683 2.730
58 HH11 ARG 7 HH11 ARG 7 -1.769 -13.531 -0.651
59 HH12 ARG 7 HH12 ARG 7 -1.209 -15.141 -0.349
60 HH21 ARG 7 HH21 ARG 7 -1.192 -14.801 3.129
61 HH22 ARG 7 HH22 ARG 7 -0.882 -15.863 1.797
62 H SER 8 HN SER 8 -2.402 -8.105 -2.213
63 HA SER 8 HA SER 8 -1.487 -9.195 -4.759
64 HB2 SER 8 HB2 SER 8 -3.779 -8.716 -5.547
65 HB3 SER 8 HB1 SER 8 -3.783 -9.702 -4.084
66 HG SER 8 HG SER 8 -4.707 -8.128 -3.022
67 H ASN 9 HN ASN 9 -3.465 -6.293 -4.352
68 HA ASN 9 HA ASN 9 -1.341 -4.699 -5.596
69 HB2 ASN 9 HB2 ASN 9 -2.882 -5.411 -7.376
70 HB3 ASN 9 HB1 ASN 9 -4.231 -4.717 -6.482
71 HD21 ASN 9 HD21 ASN 9 -4.149 -2.395 -6.072
72 HD22 ASN 9 HD22 ASN 9 -3.418 -1.368 -7.253
73 H SER 10 HN SER 10 -4.523 -4.623 -4.052
74 HA SER 10 HA SER 10 -3.661 -2.247 -2.561
75 HB2 SER 10 HB2 SER 10 -5.840 -1.212 -2.829
76 HB3 SER 10 HB1 SER 10 -5.177 -1.572 -4.423
77 HG SER 10 HG SER 10 -6.461 -3.564 -4.279
78 H ASP 11 HN ASP 11 -3.478 -4.818 -1.591
79 HA ASP 11 HA ASP 11 -5.807 -5.512 -0.066
80 HB2 ASP 11 HB2 ASP 11 -3.728 -6.968 -0.915
81 HB3 ASP 11 HB1 ASP 11 -3.134 -6.573 0.695
82 H CYS 12 HN CYS 12 -5.542 -2.995 0.592
83 HA CYS 12 HA CYS 12 -4.687 -3.098 3.371
84 HB2 CYS 12 HB2 CYS 12 -3.481 -1.359 1.280
85 HB3 CYS 12 HB1 CYS 12 -3.758 -0.645 2.865
86 H ASN 13 HN ASN 13 -5.388 -0.123 1.625
87 HA ASN 13 HA ASN 13 -8.177 -0.136 2.358
88 HB2 ASN 13 HB2 ASN 13 -6.911 2.285 3.435
89 HB3 ASN 13 HB1 ASN 13 -8.169 1.271 4.129
90 HD21 ASN 13 HD21 ASN 13 -5.024 2.288 4.389
91 HD22 ASN 13 HD22 ASN 13 -4.440 1.093 5.489
92 H ILE 14 HN ILE 14 -8.779 2.515 2.094
93 HA ILE 14 HA ILE 14 -8.523 2.886 -0.706
94 HB ILE 14 HB ILE 14 -10.488 3.679 0.569
95 HG12 ILE 14 HG12 ILE 14 -10.833 5.668 -0.703
96 HG13 ILE 14 HG11 ILE 14 -9.107 6.009 -0.769
97 HG21 ILE 14 HG21 ILE 14 -9.327 4.487 2.554
98 HG22 ILE 14 HG22 ILE 14 -10.349 5.746 1.863
99 HG23 ILE 14 HG23 ILE 14 -8.604 5.791 1.612
100 HD11 ILE 14 HD11 ILE 14 -10.484 4.910 -2.784
101 HD12 ILE 14 HD12 ILE 14 -9.963 3.448 -1.944
102 HD13 ILE 14 HD13 ILE 14 -8.767 4.616 -2.503
103 H ILE 15 HN ILE 15 -6.693 3.927 2.015
104 HA ILE 15 HA ILE 15 -5.386 6.154 0.822
105 HB ILE 15 HB ILE 15 -4.512 4.353 3.086
106 HG12 ILE 15 HG12 ILE 15 -5.462 7.139 3.474
107 HG13 ILE 15 HG11 ILE 15 -6.669 5.905 3.125
108 HG21 ILE 15 HG21 ILE 15 -3.429 6.992 2.135
109 HG22 ILE 15 HG22 ILE 15 -2.587 5.447 2.212
110 HG23 ILE 15 HG23 ILE 15 -3.046 6.274 3.698
111 HD11 ILE 15 HD11 ILE 15 -6.334 4.828 5.113
112 HD12 ILE 15 HD12 ILE 15 -6.008 6.496 5.586
113 HD13 ILE 15 HD13 ILE 15 -4.670 5.392 5.264
114 H TRP 16 HN TRP 16 -4.038 3.016 1.710
115 HA TRP 16 HA TRP 16 -2.099 3.284 -0.456
116 HB2 TRP 16 HB2 TRP 16 -2.077 1.327 1.840
117 HB3 TRP 16 HB1 TRP 16 -0.733 1.769 0.786
118 HD1 TRP 16 HD1 TRP 16 0.017 4.440 0.967
119 HE1 TRP 16 HE1 TRP 16 0.159 5.947 3.012
120 HE3 TRP 16 HE3 TRP 16 -2.969 1.761 4.087
121 HZ2 TRP 16 HZ2 TRP 16 -0.855 5.991 5.659
122 HZ3 TRP 16 HZ3 TRP 16 -3.343 2.598 6.372
123 HH2 TRP 16 HH2 TRP 16 -2.308 4.673 7.135
124 H ARG 17 HN ARG 17 -2.852 2.485 -2.288
125 HA ARG 17 HA ARG 17 -3.926 -0.255 -2.260
126 HB2 ARG 17 HB2 ARG 17 -5.152 0.469 -4.384
127 HB3 ARG 17 HB1 ARG 17 -5.773 1.068 -2.852
128 HG2 ARG 17 HG2 ARG 17 -3.799 2.771 -4.245
129 HG3 ARG 17 HG1 ARG 17 -5.398 2.628 -4.978
130 HD2 ARG 17 HD2 ARG 17 -6.258 3.110 -2.576
131 HD3 ARG 17 HD1 ARG 17 -4.630 3.735 -2.306
132 HE ARG 17 HE ARG 17 -6.724 4.994 -3.770
133 HH11 ARG 17 HH11 ARG 17 -3.258 4.625 -3.616
134 HH12 ARG 17 HH12 ARG 17 -2.937 6.145 -4.383
135 HH21 ARG 17 HH21 ARG 17 -6.303 6.993 -4.779
136 HH22 ARG 17 HH22 ARG 17 -4.665 7.489 -5.043
137 H ILE 18 HN ILE 18 -1.241 1.390 -2.967
138 HA ILE 18 HA ILE 18 -0.750 0.033 -5.527
139 HB ILE 18 HB ILE 18 1.025 2.091 -4.226
140 HG12 ILE 18 HG12 ILE 18 -1.232 3.040 -4.612
141 HG13 ILE 18 HG11 ILE 18 -0.010 3.780 -5.642
142 HG21 ILE 18 HG21 ILE 18 1.480 2.351 -6.831
143 HG22 ILE 18 HG22 ILE 18 0.954 0.668 -6.824
144 HG23 ILE 18 HG23 ILE 18 2.329 1.167 -5.840
145 HD11 ILE 18 HD11 ILE 18 -1.058 1.618 -7.090
146 HD12 ILE 18 HD12 ILE 18 -1.291 3.341 -7.386
147 HD13 ILE 18 HD13 ILE 18 -2.431 2.457 -6.370
148 H CYS 19 HN CYS 19 -0.467 -2.033 -4.576
149 HA CYS 19 HA CYS 19 1.259 -2.598 -2.457
150 HB2 CYS 19 HB2 CYS 19 -0.334 -4.250 -3.150
151 HB3 CYS 19 HB1 CYS 19 0.336 -4.299 -4.775
152 H ARG 20 HN ARG 20 3.082 -1.234 -2.908
153 HA ARG 20 HA ARG 20 4.800 -1.869 -5.136
154 HB2 ARG 20 HB2 ARG 20 4.465 0.389 -3.724
155 HB3 ARG 20 HB1 ARG 20 5.820 -0.289 -2.832
156 HG2 ARG 20 HG2 ARG 20 7.274 0.175 -4.463
157 HG3 ARG 20 HG1 ARG 20 6.170 -0.368 -5.729
158 HD2 ARG 20 HD2 ARG 20 4.919 1.772 -5.452
159 HD3 ARG 20 HD1 ARG 20 6.176 2.307 -4.339
160 HE ARG 20 HE ARG 20 7.508 2.763 -6.134
161 HH11 ARG 20 HH11 ARG 20 4.966 0.603 -7.162
162 HH12 ARG 20 HH12 ARG 20 5.397 0.692 -8.837
163 HH21 ARG 20 HH21 ARG 20 8.076 2.881 -8.337
164 HH22 ARG 20 HH22 ARG 20 7.163 1.984 -9.504
165 H ASP 21 HN ASP 21 7.304 -1.641 -3.650
166 HA ASP 21 HA ASP 21 8.167 -4.161 -3.399
167 HB2 ASP 21 HB2 ASP 21 8.925 -1.673 -1.940
168 HB3 ASP 21 HB1 ASP 21 9.652 -3.196 -1.436
169 H GLY 22 HN GLY 22 6.152 -5.240 -2.628
170 HA2 GLY 22 HA2 GLY 22 5.058 -6.492 -1.052
171 HA3 GLY 22 HA1 GLY 22 6.524 -6.361 -0.096
172 H CYS 23 HN CYS 23 4.969 -3.408 -0.962
173 HA CYS 23 HA CYS 23 3.567 -3.321 1.615
174 HB2 CYS 23 HB2 CYS 23 5.539 -1.241 0.654
175 HB3 CYS 23 HB1 CYS 23 4.476 -1.048 2.045
176 H CYS 24 HN CYS 24 2.144 -1.364 1.791
177 HA CYS 24 HA CYS 24 0.800 -0.955 -0.771
178 HB2 CYS 24 HB2 CYS 24 -0.148 -0.281 2.023
179 HB3 CYS 24 HB1 CYS 24 -1.104 -0.174 0.551
180 H ASN 25 HN ASN 25 0.990 0.900 -1.851
181 HA ASN 25 HA ASN 25 1.993 3.251 -0.374
182 HB2 ASN 25 HB2 ASN 25 2.426 2.397 -3.230
183 HB3 ASN 25 HB1 ASN 25 2.767 4.029 -2.680
184 HD21 ASN 25 HD21 ASN 25 3.380 0.668 -1.786
185 HD22 ASN 25 HD22 ASN 25 5.026 0.906 -1.335
186 H VAL 26 HN VAL 26 0.892 5.130 -0.444
187 HA VAL 26 HA VAL 26 -1.726 5.071 -1.689
188 HB VAL 26 HB VAL 26 -1.723 5.735 0.608
189 HG11 VAL 26 HG11 VAL 26 0.513 6.588 0.840
190 HG12 VAL 26 HG12 VAL 26 -0.650 7.802 1.373
191 HG13 VAL 26 HG13 VAL 26 0.129 7.960 -0.202
192 HG21 VAL 26 HG21 VAL 26 -2.307 8.399 -0.268
193 HG22 VAL 26 HG22 VAL 26 -3.407 7.111 0.224
194 HG23 VAL 26 HG23 VAL 26 -2.880 7.226 -1.453
195 H ILE 27 HN ILE 27 0.507 5.310 -3.431
196 HA ILE 27 HA ILE 27 0.661 8.086 -4.245
197 HB ILE 27 HB ILE 27 1.775 5.685 -5.693
198 HG12 ILE 27 HG12 ILE 27 3.278 7.441 -3.753
199 HG13 ILE 27 HG11 ILE 27 2.503 5.940 -3.255
200 HG21 ILE 27 HG21 ILE 27 1.546 8.192 -6.612
201 HG22 ILE 27 HG22 ILE 27 2.884 7.125 -7.037
202 HG23 ILE 27 HG23 ILE 27 3.088 8.330 -5.765
203 HD11 ILE 27 HD11 ILE 27 3.920 4.655 -4.662
204 HD12 ILE 27 HD12 ILE 27 4.941 5.768 -3.753
205 HD13 ILE 27 HD13 ILE 27 4.558 6.103 -5.441
Start of MODEL 17
1 H1 GLN 1 HT1 GLN 1 4.996 7.661 5.145
2 H2 GLN 1 HT2 GLN 1 6.520 8.449 5.076
3 H3 GLN 1 HT3 GLN 1 5.919 7.868 6.575
4 HA GLN 1 HA GLN 1 6.608 6.206 4.246
5 HB2 GLN 1 HB2 GLN 1 8.462 7.472 5.517
6 HB3 GLN 1 HB1 GLN 1 8.086 6.404 6.863
7 HG2 GLN 1 HG2 GLN 1 8.367 4.628 4.823
8 HG3 GLN 1 HG1 GLN 1 9.536 5.872 4.380
9 HE21 GLN 1 HE21 GLN 1 10.488 6.717 6.747
10 HE22 GLN 1 HE22 GLN 1 11.286 5.431 7.580
11 H LEU 2 HN LEU 2 4.773 4.915 4.420
12 HA LEU 2 HA LEU 2 4.643 3.291 6.873
13 HB2 LEU 2 HB2 LEU 2 2.460 4.657 5.374
14 HB3 LEU 2 HB1 LEU 2 2.115 3.095 6.091
15 HG LEU 2 HG LEU 2 1.456 4.997 7.529
16 HD11 LEU 2 HD11 LEU 2 1.706 3.208 8.889
17 HD12 LEU 2 HD12 LEU 2 3.049 4.167 9.510
18 HD13 LEU 2 HD13 LEU 2 3.350 2.881 8.342
19 HD21 LEU 2 HD21 LEU 2 4.274 5.545 8.240
20 HD22 LEU 2 HD22 LEU 2 2.873 6.616 8.236
21 HD23 LEU 2 HD23 LEU 2 3.688 6.225 6.722
22 H CYS 3 HN CYS 3 5.986 1.754 5.803
23 HA CYS 3 HA CYS 3 5.254 0.581 3.314
24 HB2 CYS 3 HB2 CYS 3 7.530 0.581 4.771
25 HB3 CYS 3 HB1 CYS 3 6.901 -1.008 5.196
26 H LEU 4 HN LEU 4 2.931 0.377 4.136
27 HA LEU 4 HA LEU 4 2.232 -1.669 5.952
28 HB2 LEU 4 HB2 LEU 4 0.878 0.137 4.118
29 HB3 LEU 4 HB1 LEU 4 0.110 -1.437 4.173
30 HG LEU 4 HG LEU 4 0.441 -0.922 6.830
31 HD11 LEU 4 HD11 LEU 4 -0.323 1.387 7.195
32 HD12 LEU 4 HD12 LEU 4 -0.136 1.705 5.471
33 HD13 LEU 4 HD13 LEU 4 1.276 1.317 6.454
34 HD21 LEU 4 HD21 LEU 4 -1.903 -0.124 5.107
35 HD22 LEU 4 HD22 LEU 4 -1.945 -0.429 6.844
36 HD23 LEU 4 HD23 LEU 4 -1.581 -1.745 5.727
37 H GLN 5 HN GLN 5 2.863 -3.725 5.645
38 HA GLN 5 HA GLN 5 3.654 -5.024 3.406
39 HB2 GLN 5 HB2 GLN 5 2.436 -5.882 5.948
40 HB3 GLN 5 HB1 GLN 5 2.324 -7.054 4.643
41 HG2 GLN 5 HG2 GLN 5 4.515 -7.516 4.695
42 HG3 GLN 5 HG1 GLN 5 4.969 -5.835 4.974
43 HE21 GLN 5 HE21 GLN 5 5.727 -5.343 6.904
44 HE22 GLN 5 HE22 GLN 5 5.535 -6.283 8.341
45 H CYS 6 HN CYS 6 2.758 -5.283 1.467
46 HA CYS 6 HA CYS 6 -0.166 -5.399 1.268
47 HB2 CYS 6 HB2 CYS 6 0.075 -4.741 -1.038
48 HB3 CYS 6 HB1 CYS 6 1.039 -3.652 -0.047
49 H ARG 7 HN ARG 7 -0.949 -6.804 -0.637
50 HA ARG 7 HA ARG 7 0.582 -9.311 -0.662
51 HB2 ARG 7 HB2 ARG 7 -2.328 -8.867 -0.115
52 HB3 ARG 7 HB1 ARG 7 -1.789 -10.386 -0.818
53 HG2 ARG 7 HG2 ARG 7 -0.072 -10.221 1.228
54 HG3 ARG 7 HG1 ARG 7 -1.429 -9.320 1.909
55 HD2 ARG 7 HD2 ARG 7 -2.145 -11.366 2.522
56 HD3 ARG 7 HD1 ARG 7 -2.730 -11.437 0.860
57 HE ARG 7 HE ARG 7 -0.202 -12.392 0.676
58 HH11 ARG 7 HH11 ARG 7 -2.934 -13.214 2.687
59 HH12 ARG 7 HH12 ARG 7 -2.483 -14.878 2.835
60 HH21 ARG 7 HH21 ARG 7 0.393 -14.581 0.870
61 HH22 ARG 7 HH22 ARG 7 -0.594 -15.656 1.805
62 H SER 8 HN SER 8 -2.377 -8.115 -2.222
63 HA SER 8 HA SER 8 -1.418 -9.189 -4.759
64 HB2 SER 8 HB2 SER 8 -3.650 -9.832 -4.330
65 HB3 SER 8 HB1 SER 8 -4.106 -8.209 -3.811
66 HG SER 8 HG SER 8 -3.798 -9.244 -6.382
67 H ASN 9 HN ASN 9 -3.467 -6.335 -4.356
68 HA ASN 9 HA ASN 9 -1.388 -4.701 -5.624
69 HB2 ASN 9 HB2 ASN 9 -2.941 -5.447 -7.381
70 HB3 ASN 9 HB1 ASN 9 -4.289 -4.770 -6.471
71 HD21 ASN 9 HD21 ASN 9 -4.274 -2.455 -6.098
72 HD22 ASN 9 HD22 ASN 9 -3.562 -1.417 -7.281
73 H SER 10 HN SER 10 -4.570 -4.656 -4.072
74 HA SER 10 HA SER 10 -3.725 -2.264 -2.592
75 HB2 SER 10 HB2 SER 10 -5.847 -1.211 -2.886
76 HB3 SER 10 HB1 SER 10 -5.331 -1.735 -4.489
77 HG SER 10 HG SER 10 -7.576 -2.325 -3.276
78 H ASP 11 HN ASP 11 -3.474 -4.829 -1.610
79 HA ASP 11 HA ASP 11 -5.762 -5.562 -0.043
80 HB2 ASP 11 HB2 ASP 11 -2.969 -6.551 -0.359
81 HB3 ASP 11 HB1 ASP 11 -3.816 -6.966 1.128
82 H CYS 12 HN CYS 12 -5.545 -3.029 0.582
83 HA CYS 12 HA CYS 12 -4.688 -3.084 3.359
84 HB2 CYS 12 HB2 CYS 12 -3.459 -1.387 1.249
85 HB3 CYS 12 HB1 CYS 12 -3.767 -0.628 2.808
86 H ASN 13 HN ASN 13 -5.361 -0.108 1.617
87 HA ASN 13 HA ASN 13 -8.169 -0.132 2.284
88 HB2 ASN 13 HB2 ASN 13 -6.986 2.280 3.437
89 HB3 ASN 13 HB1 ASN 13 -8.200 1.195 4.105
90 HD21 ASN 13 HD21 ASN 13 -5.091 2.333 4.375
91 HD22 ASN 13 HD22 ASN 13 -4.460 1.145 5.456
92 H ILE 14 HN ILE 14 -8.931 2.377 1.974
93 HA ILE 14 HA ILE 14 -8.646 2.884 -0.766
94 HB ILE 14 HB ILE 14 -9.487 4.894 1.322
95 HG12 ILE 14 HG12 ILE 14 -10.802 2.878 1.614
96 HG13 ILE 14 HG11 ILE 14 -11.798 4.109 0.845
97 HG21 ILE 14 HG21 ILE 14 -9.007 5.720 -0.993
98 HG22 ILE 14 HG22 ILE 14 -10.656 5.999 -0.435
99 HG23 ILE 14 HG23 ILE 14 -10.318 4.688 -1.565
100 HD11 ILE 14 HD11 ILE 14 -11.018 1.485 -0.103
101 HD12 ILE 14 HD12 ILE 14 -10.712 2.756 -1.288
102 HD13 ILE 14 HD13 ILE 14 -12.333 2.538 -0.627
103 H ILE 15 HN ILE 15 -6.784 3.901 1.960
104 HA ILE 15 HA ILE 15 -5.476 6.119 0.753
105 HB ILE 15 HB ILE 15 -4.591 4.331 3.022
106 HG12 ILE 15 HG12 ILE 15 -5.513 7.109 3.454
107 HG13 ILE 15 HG11 ILE 15 -6.748 5.929 3.027
108 HG21 ILE 15 HG21 ILE 15 -3.132 6.263 3.620
109 HG22 ILE 15 HG22 ILE 15 -3.522 6.967 2.051
110 HG23 ILE 15 HG23 ILE 15 -2.673 5.426 2.139
111 HD11 ILE 15 HD11 ILE 15 -6.179 6.391 5.519
112 HD12 ILE 15 HD12 ILE 15 -4.817 5.314 5.211
113 HD13 ILE 15 HD13 ILE 15 -6.468 4.740 4.972
114 H TRP 16 HN TRP 16 -4.098 3.000 1.665
115 HA TRP 16 HA TRP 16 -2.178 3.262 -0.516
116 HB2 TRP 16 HB2 TRP 16 -2.131 1.320 1.795
117 HB3 TRP 16 HB1 TRP 16 -0.796 1.763 0.729
118 HD1 TRP 16 HD1 TRP 16 -0.062 4.438 0.887
119 HE1 TRP 16 HE1 TRP 16 0.082 5.962 2.921
120 HE3 TRP 16 HE3 TRP 16 -3.013 1.765 4.043
121 HZ2 TRP 16 HZ2 TRP 16 -0.919 6.021 5.572
122 HZ3 TRP 16 HZ3 TRP 16 -3.381 2.618 6.324
123 HH2 TRP 16 HH2 TRP 16 -2.355 4.705 7.066
124 H ARG 17 HN ARG 17 -2.921 2.440 -2.339
125 HA ARG 17 HA ARG 17 -3.978 -0.305 -2.290
126 HB2 ARG 17 HB2 ARG 17 -5.220 0.399 -4.413
127 HB3 ARG 17 HB1 ARG 17 -5.839 0.999 -2.881
128 HG2 ARG 17 HG2 ARG 17 -4.986 3.159 -3.263
129 HG3 ARG 17 HG1 ARG 17 -3.974 2.605 -4.599
130 HD2 ARG 17 HD2 ARG 17 -5.681 2.637 -6.080
131 HD3 ARG 17 HD1 ARG 17 -6.867 2.113 -4.884
132 HE ARG 17 HE ARG 17 -6.067 4.737 -4.291
133 HH11 ARG 17 HH11 ARG 17 -7.884 2.973 -6.691
134 HH12 ARG 17 HH12 ARG 17 -8.908 4.313 -7.082
135 HH21 ARG 17 HH21 ARG 17 -7.413 6.502 -4.803
136 HH22 ARG 17 HH22 ARG 17 -8.642 6.317 -6.010
137 H ILE 18 HN ILE 18 -1.304 1.339 -3.005
138 HA ILE 18 HA ILE 18 -0.817 -0.027 -5.563
139 HB ILE 18 HB ILE 18 0.950 2.057 -4.291
140 HG12 ILE 18 HG12 ILE 18 -1.317 2.987 -4.664
141 HG13 ILE 18 HG11 ILE 18 -0.112 3.725 -5.713
142 HG21 ILE 18 HG21 ILE 18 2.040 2.183 -6.346
143 HG22 ILE 18 HG22 ILE 18 0.710 1.406 -7.206
144 HG23 ILE 18 HG23 ILE 18 1.745 0.457 -6.138
145 HD11 ILE 18 HD11 ILE 18 -0.864 2.079 -7.486
146 HD12 ILE 18 HD12 ILE 18 -1.991 3.367 -7.060
147 HD13 ILE 18 HD13 ILE 18 -2.236 1.737 -6.431
148 H CYS 19 HN CYS 19 -0.529 -2.079 -4.567
149 HA CYS 19 HA CYS 19 1.221 -2.608 -2.462
150 HB2 CYS 19 HB2 CYS 19 -0.369 -4.277 -3.117
151 HB3 CYS 19 HB1 CYS 19 0.283 -4.342 -4.748
152 H ARG 20 HN ARG 20 3.040 -1.252 -2.933
153 HA ARG 20 HA ARG 20 4.742 -1.900 -5.170
154 HB2 ARG 20 HB2 ARG 20 4.416 0.367 -3.773
155 HB3 ARG 20 HB1 ARG 20 5.775 -0.305 -2.881
156 HG2 ARG 20 HG2 ARG 20 6.957 0.832 -4.425
157 HG3 ARG 20 HG1 ARG 20 6.688 -0.631 -5.376
158 HD2 ARG 20 HD2 ARG 20 4.590 0.493 -6.248
159 HD3 ARG 20 HD1 ARG 20 5.192 1.977 -5.510
160 HE ARG 20 HE ARG 20 6.120 0.750 -7.926
161 HH11 ARG 20 HH11 ARG 20 7.040 2.792 -5.249
162 HH12 ARG 20 HH12 ARG 20 8.308 3.581 -6.125
163 HH21 ARG 20 HH21 ARG 20 7.787 1.787 -9.080
164 HH22 ARG 20 HH22 ARG 20 8.732 3.011 -8.300
165 H ASP 21 HN ASP 21 7.259 -1.666 -3.718
166 HA ASP 21 HA ASP 21 8.114 -4.189 -3.451
167 HB2 ASP 21 HB2 ASP 21 9.364 -1.938 -3.095
168 HB3 ASP 21 HB1 ASP 21 9.020 -2.207 -1.388
169 H GLY 22 HN GLY 22 6.114 -5.253 -2.631
170 HA2 GLY 22 HA2 GLY 22 5.043 -6.479 -1.021
171 HA3 GLY 22 HA1 GLY 22 6.522 -6.331 -0.085
172 H CYS 23 HN CYS 23 4.955 -3.393 -0.982
173 HA CYS 23 HA CYS 23 3.596 -3.260 1.616
174 HB2 CYS 23 HB2 CYS 23 5.552 -1.208 0.572
175 HB3 CYS 23 HB1 CYS 23 4.497 -0.959 1.957
176 H CYS 24 HN CYS 24 2.161 -1.311 1.776
177 HA CYS 24 HA CYS 24 0.777 -0.957 -0.774
178 HB2 CYS 24 HB2 CYS 24 -0.150 -0.248 2.018
179 HB3 CYS 24 HB1 CYS 24 -1.123 -0.192 0.555
180 H ASN 25 HN ASN 25 0.923 0.889 -1.877
181 HA ASN 25 HA ASN 25 1.919 3.269 -0.443
182 HB2 ASN 25 HB2 ASN 25 2.341 2.380 -3.289
183 HB3 ASN 25 HB1 ASN 25 2.673 4.023 -2.761
184 HD21 ASN 25 HD21 ASN 25 3.322 0.675 -1.845
185 HD22 ASN 25 HD22 ASN 25 4.968 0.932 -1.402
186 H VAL 26 HN VAL 26 0.799 5.134 -0.528
187 HA VAL 26 HA VAL 26 -1.826 5.033 -1.759
188 HB VAL 26 HB VAL 26 -1.815 5.723 0.531
189 HG11 VAL 26 HG11 VAL 26 0.011 7.955 -0.316
190 HG12 VAL 26 HG12 VAL 26 0.412 6.600 0.741
191 HG13 VAL 26 HG13 VAL 26 -0.758 7.811 1.265
192 HG21 VAL 26 HG21 VAL 26 -3.000 7.178 -1.540
193 HG22 VAL 26 HG22 VAL 26 -2.429 8.372 -0.375
194 HG23 VAL 26 HG23 VAL 26 -3.514 7.081 0.142
195 H ILE 27 HN ILE 27 0.403 5.278 -3.513
196 HA ILE 27 HA ILE 27 0.439 8.055 -4.377
197 HB ILE 27 HB ILE 27 2.536 6.772 -4.409
198 HG12 ILE 27 HG12 ILE 27 2.056 7.154 -7.303
199 HG13 ILE 27 HG11 ILE 27 1.661 8.530 -6.278
200 HG21 ILE 27 HG21 ILE 27 1.142 5.082 -6.479
201 HG22 ILE 27 HG22 ILE 27 1.676 4.567 -4.879
202 HG23 ILE 27 HG23 ILE 27 2.864 5.011 -6.105
203 HD11 ILE 27 HD11 ILE 27 3.839 8.860 -5.651
204 HD12 ILE 27 HD12 ILE 27 4.038 8.281 -7.306
205 HD13 ILE 27 HD13 ILE 27 4.294 7.182 -5.951
Start of MODEL 18
1 H1 GLN 1 HT1 GLN 1 6.555 7.598 7.008
2 H2 GLN 1 HT2 GLN 1 5.245 8.006 5.977
3 H3 GLN 1 HT3 GLN 1 6.841 8.495 5.576
4 HA GLN 1 HA GLN 1 5.937 6.574 4.329
5 HB2 GLN 1 HB2 GLN 1 8.425 7.284 5.007
6 HB3 GLN 1 HB1 GLN 1 8.373 5.724 5.816
7 HG2 GLN 1 HG2 GLN 1 7.461 4.931 3.472
8 HG3 GLN 1 HG1 GLN 1 8.322 6.367 2.920
9 HE21 GLN 1 HE21 GLN 1 8.595 3.178 4.193
10 HE22 GLN 1 HE22 GLN 1 10.312 3.036 4.056
11 H LEU 2 HN LEU 2 4.678 4.851 4.534
12 HA LEU 2 HA LEU 2 4.954 3.165 6.927
13 HB2 LEU 2 HB2 LEU 2 2.852 4.821 6.634
14 HB3 LEU 2 HB1 LEU 2 2.249 3.432 5.751
15 HG LEU 2 HG LEU 2 2.801 2.053 7.822
16 HD11 LEU 2 HD11 LEU 2 4.248 3.923 8.769
17 HD12 LEU 2 HD12 LEU 2 3.141 3.119 9.881
18 HD13 LEU 2 HD13 LEU 2 2.734 4.705 9.225
19 HD21 LEU 2 HD21 LEU 2 0.664 2.314 8.583
20 HD22 LEU 2 HD22 LEU 2 0.531 3.142 7.031
21 HD23 LEU 2 HD23 LEU 2 0.736 4.075 8.513
22 H CYS 3 HN CYS 3 6.013 1.506 5.923
23 HA CYS 3 HA CYS 3 5.283 0.502 3.361
24 HB2 CYS 3 HB2 CYS 3 7.480 0.236 4.971
25 HB3 CYS 3 HB1 CYS 3 6.721 -1.343 5.149
26 H LEU 4 HN LEU 4 2.926 0.445 4.091
27 HA LEU 4 HA LEU 4 1.947 -1.529 5.817
28 HB2 LEU 4 HB2 LEU 4 0.882 0.411 4.060
29 HB3 LEU 4 HB1 LEU 4 0.157 -1.118 3.610
30 HG LEU 4 HG LEU 4 -0.104 -1.174 6.333
31 HD11 LEU 4 HD11 LEU 4 -1.214 1.139 6.706
32 HD12 LEU 4 HD12 LEU 4 -0.147 1.666 5.405
33 HD13 LEU 4 HD13 LEU 4 0.533 0.977 6.880
34 HD21 LEU 4 HD21 LEU 4 -1.826 -1.797 4.780
35 HD22 LEU 4 HD22 LEU 4 -2.006 -0.127 4.241
36 HD23 LEU 4 HD23 LEU 4 -2.472 -0.581 5.882
37 H GLN 5 HN GLN 5 2.639 -3.598 5.603
38 HA GLN 5 HA GLN 5 3.455 -4.997 3.429
39 HB2 GLN 5 HB2 GLN 5 2.472 -7.053 4.574
40 HB3 GLN 5 HB1 GLN 5 3.593 -6.082 5.518
41 HG2 GLN 5 HG2 GLN 5 1.346 -4.918 6.299
42 HG3 GLN 5 HG1 GLN 5 0.678 -6.488 5.855
43 HE21 GLN 5 HE21 GLN 5 3.691 -5.427 7.403
44 HE22 GLN 5 HE22 GLN 5 3.536 -6.445 8.791
45 H CYS 6 HN CYS 6 2.585 -5.239 1.480
46 HA CYS 6 HA CYS 6 -0.337 -5.366 1.246
47 HB2 CYS 6 HB2 CYS 6 -0.061 -4.675 -1.055
48 HB3 CYS 6 HB1 CYS 6 0.838 -3.576 -0.015
49 H ARG 7 HN ARG 7 -1.175 -6.784 -0.532
50 HA ARG 7 HA ARG 7 0.391 -9.273 -0.628
51 HB2 ARG 7 HB2 ARG 7 -2.497 -8.769 -0.122
52 HB3 ARG 7 HB1 ARG 7 -2.069 -10.219 -1.019
53 HG2 ARG 7 HG2 ARG 7 -1.140 -11.228 0.778
54 HG3 ARG 7 HG1 ARG 7 -0.561 -9.711 1.469
55 HD2 ARG 7 HD2 ARG 7 -3.180 -9.303 1.735
56 HD3 ARG 7 HD1 ARG 7 -3.182 -11.066 1.771
57 HE ARG 7 HE ARG 7 -1.249 -10.419 3.546
58 HH11 ARG 7 HH11 ARG 7 -4.570 -9.413 3.170
59 HH12 ARG 7 HH12 ARG 7 -4.811 -9.142 4.863
60 HH21 ARG 7 HH21 ARG 7 -1.565 -10.064 5.774
61 HH22 ARG 7 HH22 ARG 7 -3.105 -9.512 6.342
62 H SER 8 HN SER 8 -2.499 -8.119 -2.330
63 HA SER 8 HA SER 8 -1.363 -9.068 -4.837
64 HB2 SER 8 HB2 SER 8 -4.121 -8.180 -4.013
65 HB3 SER 8 HB1 SER 8 -3.697 -8.422 -5.707
66 HG SER 8 HG SER 8 -3.148 -10.574 -5.187
67 H ASN 9 HN ASN 9 -3.486 -6.262 -4.444
68 HA ASN 9 HA ASN 9 -1.391 -4.575 -5.630
69 HB2 ASN 9 HB2 ASN 9 -3.000 -5.247 -7.377
70 HB3 ASN 9 HB1 ASN 9 -4.310 -4.562 -6.419
71 HD21 ASN 9 HD21 ASN 9 -4.166 -2.251 -5.934
72 HD22 ASN 9 HD22 ASN 9 -3.471 -1.201 -7.117
73 H SER 10 HN SER 10 -4.476 -4.640 -3.907
74 HA SER 10 HA SER 10 -3.577 -2.379 -2.295
75 HB2 SER 10 HB2 SER 10 -5.700 -1.195 -2.549
76 HB3 SER 10 HB1 SER 10 -4.945 -1.417 -4.127
77 HG SER 10 HG SER 10 -7.216 -2.652 -3.044
78 H ASP 11 HN ASP 11 -3.600 -5.004 -1.519
79 HA ASP 11 HA ASP 11 -6.048 -5.648 -0.150
80 HB2 ASP 11 HB2 ASP 11 -3.389 -6.932 -0.509
81 HB3 ASP 11 HB1 ASP 11 -4.326 -7.396 0.908
82 H CYS 12 HN CYS 12 -5.616 -3.270 0.794
83 HA CYS 12 HA CYS 12 -4.842 -3.745 3.557
84 HB2 CYS 12 HB2 CYS 12 -3.755 -1.229 3.122
85 HB3 CYS 12 HB1 CYS 12 -2.860 -2.725 3.346
86 H ASN 13 HN ASN 13 -5.271 -0.613 1.988
87 HA ASN 13 HA ASN 13 -7.985 -0.406 3.049
88 HB2 ASN 13 HB2 ASN 13 -7.196 1.990 3.866
89 HB3 ASN 13 HB1 ASN 13 -7.030 0.576 4.901
90 HD21 ASN 13 HD21 ASN 13 -5.184 0.530 5.908
91 HD22 ASN 13 HD22 ASN 13 -3.662 1.064 5.294
92 H ILE 14 HN ILE 14 -8.697 2.058 2.555
93 HA ILE 14 HA ILE 14 -8.675 2.230 -0.303
94 HB ILE 14 HB ILE 14 -9.785 4.267 1.622
95 HG12 ILE 14 HG12 ILE 14 -11.948 2.840 0.840
96 HG13 ILE 14 HG11 ILE 14 -10.734 1.564 0.875
97 HG21 ILE 14 HG21 ILE 14 -10.075 3.730 -1.296
98 HG22 ILE 14 HG22 ILE 14 -9.880 5.263 -0.445
99 HG23 ILE 14 HG23 ILE 14 -11.432 4.425 -0.409
100 HD11 ILE 14 HD11 ILE 14 -10.469 3.100 3.243
101 HD12 ILE 14 HD12 ILE 14 -10.959 1.415 3.066
102 HD13 ILE 14 HD13 ILE 14 -12.172 2.694 3.027
103 H ILE 15 HN ILE 15 -6.724 3.517 2.177
104 HA ILE 15 HA ILE 15 -5.945 5.938 0.873
105 HB ILE 15 HB ILE 15 -4.404 4.388 2.954
106 HG12 ILE 15 HG12 ILE 15 -5.987 6.741 3.748
107 HG13 ILE 15 HG11 ILE 15 -6.928 5.321 3.304
108 HG21 ILE 15 HG21 ILE 15 -4.086 6.998 1.646
109 HG22 ILE 15 HG22 ILE 15 -2.887 5.946 2.397
110 HG23 ILE 15 HG23 ILE 15 -3.885 6.999 3.398
111 HD11 ILE 15 HD11 ILE 15 -6.241 4.135 5.107
112 HD12 ILE 15 HD12 ILE 15 -6.088 5.760 5.777
113 HD13 ILE 15 HD13 ILE 15 -4.663 4.921 5.163
114 H TRP 16 HN TRP 16 -4.068 3.039 1.588
115 HA TRP 16 HA TRP 16 -2.346 3.601 -0.694
116 HB2 TRP 16 HB2 TRP 16 -1.963 1.571 1.511
117 HB3 TRP 16 HB1 TRP 16 -0.744 2.172 0.384
118 HD1 TRP 16 HD1 TRP 16 -0.411 4.967 0.563
119 HE1 TRP 16 HE1 TRP 16 -0.206 6.402 2.675
120 HE3 TRP 16 HE3 TRP 16 -2.499 1.745 3.885
121 HZ2 TRP 16 HZ2 TRP 16 -0.848 6.183 5.426
122 HZ3 TRP 16 HZ3 TRP 16 -2.681 2.422 6.247
123 HH2 TRP 16 HH2 TRP 16 -1.873 4.594 6.996
124 H ARG 17 HN ARG 17 -3.106 2.790 -2.517
125 HA ARG 17 HA ARG 17 -4.043 -0.005 -2.510
126 HB2 ARG 17 HB2 ARG 17 -5.195 0.682 -4.686
127 HB3 ARG 17 HB1 ARG 17 -5.876 1.296 -3.186
128 HG2 ARG 17 HG2 ARG 17 -4.701 3.427 -3.553
129 HG3 ARG 17 HG1 ARG 17 -4.099 2.805 -5.090
130 HD2 ARG 17 HD2 ARG 17 -6.521 2.428 -5.726
131 HD3 ARG 17 HD1 ARG 17 -6.945 3.376 -4.303
132 HE ARG 17 HE ARG 17 -6.411 5.259 -5.471
133 HH11 ARG 17 HH11 ARG 17 -4.845 2.541 -7.001
134 HH12 ARG 17 HH12 ARG 17 -4.244 3.475 -8.329
135 HH21 ARG 17 HH21 ARG 17 -5.622 6.489 -7.218
136 HH22 ARG 17 HH22 ARG 17 -4.684 5.716 -8.453
137 H ILE 18 HN ILE 18 -1.297 1.456 -3.004
138 HA ILE 18 HA ILE 18 -0.728 0.145 -5.576
139 HB ILE 18 HB ILE 18 0.926 2.270 -4.210
140 HG12 ILE 18 HG12 ILE 18 -1.185 3.258 -4.840
141 HG13 ILE 18 HG11 ILE 18 0.040 3.777 -5.990
142 HG21 ILE 18 HG21 ILE 18 2.365 1.128 -5.623
143 HG22 ILE 18 HG22 ILE 18 1.788 2.444 -6.645
144 HG23 ILE 18 HG23 ILE 18 1.109 0.826 -6.825
145 HD11 ILE 18 HD11 ILE 18 -0.759 2.105 -7.584
146 HD12 ILE 18 HD12 ILE 18 -2.028 3.239 -7.119
147 HD13 ILE 18 HD13 ILE 18 -2.001 1.614 -6.433
148 H CYS 19 HN CYS 19 -0.458 -1.908 -4.653
149 HA CYS 19 HA CYS 19 1.212 -2.445 -2.462
150 HB2 CYS 19 HB2 CYS 19 -0.397 -4.093 -3.130
151 HB3 CYS 19 HB1 CYS 19 0.277 -4.180 -4.752
152 H ARG 20 HN ARG 20 3.057 -1.112 -2.936
153 HA ARG 20 HA ARG 20 4.776 -1.825 -5.140
154 HB2 ARG 20 HB2 ARG 20 4.468 0.475 -3.804
155 HB3 ARG 20 HB1 ARG 20 5.797 -0.195 -2.868
156 HG2 ARG 20 HG2 ARG 20 7.041 0.867 -4.411
157 HG3 ARG 20 HG1 ARG 20 6.739 -0.596 -5.351
158 HD2 ARG 20 HD2 ARG 20 5.213 0.433 -6.719
159 HD3 ARG 20 HD1 ARG 20 4.761 1.624 -5.498
160 HE ARG 20 HE ARG 20 7.416 2.092 -6.237
161 HH11 ARG 20 HH11 ARG 20 4.220 2.257 -7.629
162 HH12 ARG 20 HH12 ARG 20 4.629 3.529 -8.731
163 HH21 ARG 20 HH21 ARG 20 7.957 3.764 -7.685
164 HH22 ARG 20 HH22 ARG 20 6.751 4.384 -8.763
165 H ASP 21 HN ASP 21 7.277 -1.585 -3.639
166 HA ASP 21 HA ASP 21 8.129 -4.096 -3.339
167 HB2 ASP 21 HB2 ASP 21 8.851 -1.763 -1.561
168 HB3 ASP 21 HB1 ASP 21 9.760 -3.270 -1.630
169 H GLY 22 HN GLY 22 6.081 -5.149 -2.592
170 HA2 GLY 22 HA2 GLY 22 4.963 -6.395 -1.029
171 HA3 GLY 22 HA1 GLY 22 6.416 -6.265 -0.052
172 H CYS 23 HN CYS 23 4.925 -3.292 -0.931
173 HA CYS 23 HA CYS 23 3.445 -3.207 1.597
174 HB2 CYS 23 HB2 CYS 23 5.349 -1.019 0.759
175 HB3 CYS 23 HB1 CYS 23 4.415 -1.100 2.249
176 H CYS 24 HN CYS 24 2.071 -1.199 1.755
177 HA CYS 24 HA CYS 24 0.788 -0.778 -0.829
178 HB2 CYS 24 HB2 CYS 24 -0.173 0.118 1.889
179 HB3 CYS 24 HB1 CYS 24 -1.107 0.050 0.401
180 H ASN 25 HN ASN 25 0.842 1.075 -1.924
181 HA ASN 25 HA ASN 25 1.949 3.440 -0.546
182 HB2 ASN 25 HB2 ASN 25 2.456 2.494 -3.368
183 HB3 ASN 25 HB1 ASN 25 2.878 4.103 -2.800
184 HD21 ASN 25 HD21 ASN 25 3.249 0.708 -1.891
185 HD22 ASN 25 HD22 ASN 25 4.885 0.847 -1.371
186 H VAL 26 HN VAL 26 1.137 5.456 -1.093
187 HA VAL 26 HA VAL 26 -1.602 5.397 -2.078
188 HB VAL 26 HB VAL 26 -1.211 8.017 -1.493
189 HG11 VAL 26 HG11 VAL 26 -2.251 5.682 -0.053
190 HG12 VAL 26 HG12 VAL 26 -3.025 7.214 -0.456
191 HG13 VAL 26 HG13 VAL 26 -1.942 7.111 0.932
192 HG21 VAL 26 HG21 VAL 26 0.200 8.370 0.332
193 HG22 VAL 26 HG22 VAL 26 1.163 7.373 -0.756
194 HG23 VAL 26 HG23 VAL 26 0.384 6.646 0.648
195 H ILE 27 HN ILE 27 1.314 5.694 -3.538
196 HA ILE 27 HA ILE 27 0.641 7.906 -5.294
197 HB ILE 27 HB ILE 27 2.959 7.616 -4.524
198 HG12 ILE 27 HG12 ILE 27 3.176 7.091 -7.439
199 HG13 ILE 27 HG11 ILE 27 2.132 8.422 -6.955
200 HG21 ILE 27 HG21 ILE 27 3.491 5.374 -6.355
201 HG22 ILE 27 HG22 ILE 27 2.598 4.971 -4.889
202 HG23 ILE 27 HG23 ILE 27 4.181 5.742 -4.775
203 HD11 ILE 27 HD11 ILE 27 5.056 8.093 -6.346
204 HD12 ILE 27 HD12 ILE 27 4.036 9.364 -5.670
205 HD13 ILE 27 HD13 ILE 27 4.307 9.282 -7.412
Start of MODEL 19
1 H1 GLN 1 HT1 GLN 1 6.926 7.708 5.588
2 H2 GLN 1 HT2 GLN 1 5.281 7.553 5.123
3 H3 GLN 1 HT3 GLN 1 6.418 8.248 4.043
4 HA GLN 1 HA GLN 1 6.032 6.107 3.295
5 HB2 GLN 1 HB2 GLN 1 8.369 6.895 3.340
6 HB3 GLN 1 HB1 GLN 1 8.575 6.178 4.933
7 HG2 GLN 1 HG2 GLN 1 9.539 4.657 3.446
8 HG3 GLN 1 HG1 GLN 1 7.970 3.965 3.856
9 HE21 GLN 1 HE21 GLN 1 10.009 5.059 1.375
10 HE22 GLN 1 HE22 GLN 1 8.912 4.858 0.056
11 H LEU 2 HN LEU 2 4.304 5.043 4.281
12 HA LEU 2 HA LEU 2 4.916 3.496 6.702
13 HB2 LEU 2 HB2 LEU 2 2.768 5.056 6.201
14 HB3 LEU 2 HB1 LEU 2 2.164 3.518 5.617
15 HG LEU 2 HG LEU 2 1.472 3.771 7.890
16 HD11 LEU 2 HD11 LEU 2 1.984 1.682 8.552
17 HD12 LEU 2 HD12 LEU 2 3.722 1.943 8.396
18 HD13 LEU 2 HD13 LEU 2 2.751 1.586 6.967
19 HD21 LEU 2 HD21 LEU 2 3.622 5.327 8.261
20 HD22 LEU 2 HD22 LEU 2 4.205 3.839 9.008
21 HD23 LEU 2 HD23 LEU 2 2.720 4.594 9.587
22 H CYS 3 HN CYS 3 6.135 1.874 5.631
23 HA CYS 3 HA CYS 3 5.251 0.412 3.407
24 HB2 CYS 3 HB2 CYS 3 7.529 0.433 4.935
25 HB3 CYS 3 HB1 CYS 3 6.824 -1.126 5.354
26 H LEU 4 HN LEU 4 3.050 -0.033 3.721
27 HA LEU 4 HA LEU 4 2.285 -1.774 5.922
28 HB2 LEU 4 HB2 LEU 4 0.963 0.116 4.236
29 HB3 LEU 4 HB1 LEU 4 0.167 -1.435 4.060
30 HG LEU 4 HG LEU 4 0.435 -1.220 6.790
31 HD11 LEU 4 HD11 LEU 4 1.031 1.289 5.994
32 HD12 LEU 4 HD12 LEU 4 0.255 0.897 7.528
33 HD13 LEU 4 HD13 LEU 4 -0.721 1.407 6.151
34 HD21 LEU 4 HD21 LEU 4 -1.857 -0.426 5.001
35 HD22 LEU 4 HD22 LEU 4 -1.989 -0.708 6.738
36 HD23 LEU 4 HD23 LEU 4 -1.530 -2.028 5.664
37 H GLN 5 HN GLN 5 2.993 -3.818 5.610
38 HA GLN 5 HA GLN 5 3.618 -5.256 3.457
39 HB2 GLN 5 HB2 GLN 5 2.539 -7.277 4.630
40 HB3 GLN 5 HB1 GLN 5 3.787 -6.387 5.491
41 HG2 GLN 5 HG2 GLN 5 1.713 -5.066 6.432
42 HG3 GLN 5 HG1 GLN 5 0.872 -6.557 6.013
43 HE21 GLN 5 HE21 GLN 5 4.060 -5.803 7.382
44 HE22 GLN 5 HE22 GLN 5 3.900 -6.831 8.761
45 H CYS 6 HN CYS 6 2.694 -5.329 1.518
46 HA CYS 6 HA CYS 6 -0.225 -5.453 1.323
47 HB2 CYS 6 HB2 CYS 6 0.036 -4.766 -0.983
48 HB3 CYS 6 HB1 CYS 6 0.970 -3.686 0.045
49 H ARG 7 HN ARG 7 -0.879 -6.731 -0.815
50 HA ARG 7 HA ARG 7 0.580 -9.274 -0.833
51 HB2 ARG 7 HB2 ARG 7 -2.318 -8.817 -0.268
52 HB3 ARG 7 HB1 ARG 7 -1.829 -10.294 -1.085
53 HG2 ARG 7 HG2 ARG 7 -0.096 -10.350 0.942
54 HG3 ARG 7 HG1 ARG 7 -1.395 -9.433 1.707
55 HD2 ARG 7 HD2 ARG 7 -2.944 -11.177 1.410
56 HD3 ARG 7 HD1 ARG 7 -1.915 -12.001 0.240
57 HE ARG 7 HE ARG 7 -0.526 -11.888 2.650
58 HH11 ARG 7 HH11 ARG 7 -3.420 -13.359 1.372
59 HH12 ARG 7 HH12 ARG 7 -3.353 -14.718 2.443
60 HH21 ARG 7 HH21 ARG 7 -0.435 -13.674 4.060
61 HH22 ARG 7 HH22 ARG 7 -1.659 -14.897 3.970
62 H SER 8 HN SER 8 -2.315 -7.924 -2.393
63 HA SER 8 HA SER 8 -1.326 -8.917 -4.958
64 HB2 SER 8 HB2 SER 8 -3.554 -9.603 -4.598
65 HB3 SER 8 HB1 SER 8 -4.039 -8.013 -4.007
66 HG SER 8 HG SER 8 -4.047 -8.960 -6.524
67 H ASN 9 HN ASN 9 -3.426 -6.111 -4.498
68 HA ASN 9 HA ASN 9 -1.342 -4.405 -5.666
69 HB2 ASN 9 HB2 ASN 9 -2.957 -5.149 -7.421
70 HB3 ASN 9 HB1 ASN 9 -4.242 -4.360 -6.512
71 HD21 ASN 9 HD21 ASN 9 -3.964 -2.036 -6.103
72 HD22 ASN 9 HD22 ASN 9 -3.211 -1.075 -7.325
73 H SER 10 HN SER 10 -4.459 -4.516 -4.003
74 HA SER 10 HA SER 10 -3.645 -2.161 -2.463
75 HB2 SER 10 HB2 SER 10 -5.775 -1.092 -2.714
76 HB3 SER 10 HB1 SER 10 -5.215 -1.503 -4.335
77 HG SER 10 HG SER 10 -6.701 -3.069 -4.473
78 H ASP 11 HN ASP 11 -3.367 -4.690 -1.532
79 HA ASP 11 HA ASP 11 -5.688 -5.537 -0.062
80 HB2 ASP 11 HB2 ASP 11 -2.863 -6.467 -0.325
81 HB3 ASP 11 HB1 ASP 11 -3.786 -6.988 1.082
82 H CYS 12 HN CYS 12 -5.527 -3.033 0.681
83 HA CYS 12 HA CYS 12 -4.715 -3.202 3.468
84 HB2 CYS 12 HB2 CYS 12 -3.501 -1.355 1.470
85 HB3 CYS 12 HB1 CYS 12 -3.796 -0.739 3.093
86 H ASN 13 HN ASN 13 -5.458 -0.261 1.663
87 HA ASN 13 HA ASN 13 -8.233 -0.278 2.383
88 HB2 ASN 13 HB2 ASN 13 -8.175 1.640 3.893
89 HB3 ASN 13 HB1 ASN 13 -7.213 0.319 4.548
90 HD21 ASN 13 HD21 ASN 13 -6.643 2.525 5.695
91 HD22 ASN 13 HD22 ASN 13 -5.203 3.269 5.097
92 H ILE 14 HN ILE 14 -9.228 1.942 1.899
93 HA ILE 14 HA ILE 14 -8.890 2.593 -0.744
94 HB ILE 14 HB ILE 14 -9.999 4.797 -0.177
95 HG12 ILE 14 HG12 ILE 14 -11.024 4.559 2.265
96 HG13 ILE 14 HG11 ILE 14 -9.515 3.704 2.559
97 HG21 ILE 14 HG21 ILE 14 -12.126 3.774 0.271
98 HG22 ILE 14 HG22 ILE 14 -11.342 2.330 0.912
99 HG23 ILE 14 HG23 ILE 14 -11.201 2.723 -0.802
100 HD11 ILE 14 HD11 ILE 14 -9.982 6.568 1.934
101 HD12 ILE 14 HD12 ILE 14 -8.461 5.823 1.446
102 HD13 ILE 14 HD13 ILE 14 -8.934 5.828 3.143
103 H ILE 15 HN ILE 15 -7.036 3.713 1.965
104 HA ILE 15 HA ILE 15 -5.903 6.000 0.691
105 HB ILE 15 HB ILE 15 -4.388 4.572 2.821
106 HG12 ILE 15 HG12 ILE 15 -6.966 6.079 3.295
107 HG13 ILE 15 HG11 ILE 15 -6.677 4.376 3.624
108 HG21 ILE 15 HG21 ILE 15 -4.779 7.314 3.350
109 HG22 ILE 15 HG22 ILE 15 -4.449 7.159 1.625
110 HG23 ILE 15 HG23 ILE 15 -3.311 6.505 2.803
111 HD11 ILE 15 HD11 ILE 15 -5.943 6.751 5.179
112 HD12 ILE 15 HD12 ILE 15 -4.714 5.488 5.091
113 HD13 ILE 15 HD13 ILE 15 -6.323 5.112 5.708
114 H TRP 16 HN TRP 16 -4.369 2.960 1.642
115 HA TRP 16 HA TRP 16 -2.369 3.344 -0.446
116 HB2 TRP 16 HB2 TRP 16 -2.403 1.260 1.739
117 HB3 TRP 16 HB1 TRP 16 -1.024 1.782 0.770
118 HD1 TRP 16 HD1 TRP 16 -0.529 4.568 1.066
119 HE1 TRP 16 HE1 TRP 16 -0.427 5.908 3.254
120 HE3 TRP 16 HE3 TRP 16 -3.117 1.377 4.055
121 HZ2 TRP 16 HZ2 TRP 16 -1.327 5.633 5.921
122 HZ3 TRP 16 HZ3 TRP 16 -3.469 1.979 6.418
123 HH2 TRP 16 HH2 TRP 16 -2.589 4.064 7.326
124 H ARG 17 HN ARG 17 -2.945 2.589 -2.350
125 HA ARG 17 HA ARG 17 -4.028 -0.149 -2.483
126 HB2 ARG 17 HB2 ARG 17 -5.330 0.490 -4.436
127 HB3 ARG 17 HB1 ARG 17 -5.752 1.501 -3.061
128 HG2 ARG 17 HG2 ARG 17 -3.696 2.447 -5.003
129 HG3 ARG 17 HG1 ARG 17 -5.409 2.556 -5.414
130 HD2 ARG 17 HD2 ARG 17 -4.678 3.516 -2.728
131 HD3 ARG 17 HD1 ARG 17 -4.041 4.464 -4.072
132 HE ARG 17 HE ARG 17 -6.812 3.918 -4.404
133 HH11 ARG 17 HH11 ARG 17 -4.573 5.961 -2.675
134 HH12 ARG 17 HH12 ARG 17 -5.709 7.252 -2.479
135 HH21 ARG 17 HH21 ARG 17 -8.307 5.616 -4.148
136 HH22 ARG 17 HH22 ARG 17 -7.829 7.058 -3.316
137 H ILE 18 HN ILE 18 -1.270 1.338 -2.869
138 HA ILE 18 HA ILE 18 -0.652 0.110 -5.474
139 HB ILE 18 HB ILE 18 0.825 2.313 -4.021
140 HG12 ILE 18 HG12 ILE 18 0.120 3.492 -6.267
141 HG13 ILE 18 HG11 ILE 18 -1.136 2.260 -6.286
142 HG21 ILE 18 HG21 ILE 18 2.034 2.449 -6.273
143 HG22 ILE 18 HG22 ILE 18 1.408 0.826 -6.562
144 HG23 ILE 18 HG23 ILE 18 2.472 1.128 -5.189
145 HD11 ILE 18 HD11 ILE 18 -1.900 4.359 -5.297
146 HD12 ILE 18 HD12 ILE 18 -0.658 4.216 -4.053
147 HD13 ILE 18 HD13 ILE 18 -1.957 3.027 -4.144
148 H CYS 19 HN CYS 19 -0.413 -1.960 -4.526
149 HA CYS 19 HA CYS 19 1.266 -2.531 -2.355
150 HB2 CYS 19 HB2 CYS 19 -0.335 -4.172 -3.033
151 HB3 CYS 19 HB1 CYS 19 0.311 -4.221 -4.668
152 H ARG 20 HN ARG 20 3.106 -1.179 -2.815
153 HA ARG 20 HA ARG 20 4.825 -1.858 -5.030
154 HB2 ARG 20 HB2 ARG 20 4.506 0.425 -3.669
155 HB3 ARG 20 HB1 ARG 20 5.837 -0.249 -2.737
156 HG2 ARG 20 HG2 ARG 20 7.035 0.896 -4.279
157 HG3 ARG 20 HG1 ARG 20 6.839 -0.615 -5.170
158 HD2 ARG 20 HD2 ARG 20 4.714 1.433 -5.463
159 HD3 ARG 20 HD1 ARG 20 6.266 1.763 -6.228
160 HE ARG 20 HE ARG 20 4.318 -0.188 -7.031
161 HH11 ARG 20 HH11 ARG 20 7.700 0.672 -7.118
162 HH12 ARG 20 HH12 ARG 20 8.024 -0.246 -8.550
163 HH21 ARG 20 HH21 ARG 20 4.744 -1.397 -8.914
164 HH22 ARG 20 HH22 ARG 20 6.346 -1.420 -9.570
165 H ASP 21 HN ASP 21 7.323 -1.611 -3.501
166 HA ASP 21 HA ASP 21 8.188 -4.126 -3.237
167 HB2 ASP 21 HB2 ASP 21 8.900 -1.871 -1.354
168 HB3 ASP 21 HB1 ASP 21 9.848 -3.335 -1.590
169 H GLY 22 HN GLY 22 6.148 -5.201 -2.520
170 HA2 GLY 22 HA2 GLY 22 5.001 -6.447 -0.978
171 HA3 GLY 22 HA1 GLY 22 6.457 -6.355 -0.000
172 H CYS 23 HN CYS 23 4.919 -3.378 -0.860
173 HA CYS 23 HA CYS 23 3.511 -3.300 1.712
174 HB2 CYS 23 HB2 CYS 23 5.503 -1.224 0.788
175 HB3 CYS 23 HB1 CYS 23 4.437 -1.045 2.177
176 H CYS 24 HN CYS 24 2.014 -1.471 1.906
177 HA CYS 24 HA CYS 24 0.712 -0.966 -0.651
178 HB2 CYS 24 HB2 CYS 24 -0.238 -0.315 2.147
179 HB3 CYS 24 HB1 CYS 24 -1.195 -0.219 0.674
180 H ASN 25 HN ASN 25 0.828 0.922 -1.684
181 HA ASN 25 HA ASN 25 1.866 3.238 -0.181
182 HB2 ASN 25 HB2 ASN 25 2.291 2.470 -3.069
183 HB3 ASN 25 HB1 ASN 25 2.730 4.039 -2.409
184 HD21 ASN 25 HD21 ASN 25 3.140 0.588 -1.789
185 HD22 ASN 25 HD22 ASN 25 4.787 0.693 -1.297
186 H VAL 26 HN VAL 26 1.082 5.309 -0.735
187 HA VAL 26 HA VAL 26 -1.711 5.247 -1.548
188 HB VAL 26 HB VAL 26 -1.106 7.908 -0.998
189 HG11 VAL 26 HG11 VAL 26 -2.271 7.315 1.202
190 HG12 VAL 26 HG12 VAL 26 -2.354 5.678 0.545
191 HG13 VAL 26 HG13 VAL 26 -3.124 7.012 -0.312
192 HG21 VAL 26 HG21 VAL 26 0.217 6.210 1.115
193 HG22 VAL 26 HG22 VAL 26 0.077 7.965 1.080
194 HG23 VAL 26 HG23 VAL 26 1.097 7.140 -0.097
195 H ILE 27 HN ILE 27 1.115 5.547 -3.131
196 HA ILE 27 HA ILE 27 1.298 7.652 -4.742
197 HB ILE 27 HB ILE 27 1.404 4.741 -5.439
198 HG12 ILE 27 HG12 ILE 27 3.716 6.638 -5.477
199 HG13 ILE 27 HG11 ILE 27 3.082 6.091 -3.928
200 HG21 ILE 27 HG21 ILE 27 2.808 5.793 -7.463
201 HG22 ILE 27 HG22 ILE 27 1.602 7.065 -7.266
202 HG23 ILE 27 HG23 ILE 27 1.091 5.409 -7.591
203 HD11 ILE 27 HD11 ILE 27 4.560 4.603 -6.008
204 HD12 ILE 27 HD12 ILE 27 3.315 3.728 -5.116
205 HD13 ILE 27 HD13 ILE 27 4.647 4.495 -4.250
Start of MODEL 20
1 H1 GLN 1 HT1 GLN 1 3.913 7.259 4.285
2 H2 GLN 1 HT2 GLN 1 5.050 8.507 3.977
3 H3 GLN 1 HT3 GLN 1 4.616 8.119 5.591
4 HA GLN 1 HA GLN 1 6.049 6.387 3.691
5 HB2 GLN 1 HB2 GLN 1 6.833 8.260 5.867
6 HB3 GLN 1 HB1 GLN 1 7.726 6.750 5.748
7 HG2 GLN 1 HG2 GLN 1 8.583 7.270 3.660
8 HG3 GLN 1 HG1 GLN 1 7.334 8.474 3.339
9 HE21 GLN 1 HE21 GLN 1 7.721 10.543 3.827
10 HE22 GLN 1 HE22 GLN 1 9.131 11.122 4.641
11 H LEU 2 HN LEU 2 4.444 4.737 4.139
12 HA LEU 2 HA LEU 2 5.034 3.342 6.642
13 HB2 LEU 2 HB2 LEU 2 2.763 4.751 6.513
14 HB3 LEU 2 HB1 LEU 2 2.208 3.282 5.732
15 HG LEU 2 HG LEU 2 2.922 1.989 7.726
16 HD11 LEU 2 HD11 LEU 2 3.159 3.609 9.801
17 HD12 LEU 2 HD12 LEU 2 3.827 4.685 8.574
18 HD13 LEU 2 HD13 LEU 2 4.557 3.104 8.852
19 HD21 LEU 2 HD21 LEU 2 0.916 2.295 8.698
20 HD22 LEU 2 HD22 LEU 2 0.637 3.386 7.341
21 HD23 LEU 2 HD23 LEU 2 1.159 4.030 8.898
22 H CYS 3 HN CYS 3 6.071 1.631 5.773
23 HA CYS 3 HA CYS 3 5.320 0.417 3.310
24 HB2 CYS 3 HB2 CYS 3 7.574 0.370 4.844
25 HB3 CYS 3 HB1 CYS 3 6.894 -1.217 5.191
26 H LEU 4 HN LEU 4 2.988 0.301 4.118
27 HA LEU 4 HA LEU 4 2.236 -1.696 5.977
28 HB2 LEU 4 HB2 LEU 4 0.926 0.137 4.140
29 HB3 LEU 4 HB1 LEU 4 0.110 -1.411 4.208
30 HG LEU 4 HG LEU 4 0.538 -0.824 6.874
31 HD11 LEU 4 HD11 LEU 4 1.250 1.433 6.354
32 HD12 LEU 4 HD12 LEU 4 -0.318 1.458 7.161
33 HD13 LEU 4 HD13 LEU 4 -0.221 1.703 5.417
34 HD21 LEU 4 HD21 LEU 4 -1.891 -0.239 5.184
35 HD22 LEU 4 HD22 LEU 4 -1.872 -0.429 6.938
36 HD23 LEU 4 HD23 LEU 4 -1.475 -1.798 5.897
37 H GLN 5 HN GLN 5 2.964 -3.730 5.639
38 HA GLN 5 HA GLN 5 3.643 -5.085 3.427
39 HB2 GLN 5 HB2 GLN 5 2.664 -7.168 4.556
40 HB3 GLN 5 HB1 GLN 5 3.862 -6.243 5.453
41 HG2 GLN 5 HG2 GLN 5 1.720 -5.048 6.409
42 HG3 GLN 5 HG1 GLN 5 0.951 -6.564 5.940
43 HE21 GLN 5 HE21 GLN 5 4.088 -5.705 7.365
44 HE22 GLN 5 HE22 GLN 5 3.962 -6.779 8.712
45 H CYS 6 HN CYS 6 2.726 -5.337 1.507
46 HA CYS 6 HA CYS 6 -0.200 -5.399 1.326
47 HB2 CYS 6 HB2 CYS 6 0.056 -4.780 -0.995
48 HB3 CYS 6 HB1 CYS 6 1.028 -3.693 -0.012
49 H ARG 7 HN ARG 7 -0.904 -6.740 -0.741
50 HA ARG 7 HA ARG 7 0.509 -9.310 -0.684
51 HB2 ARG 7 HB2 ARG 7 -2.364 -8.752 -0.123
52 HB3 ARG 7 HB1 ARG 7 -1.950 -10.248 -0.949
53 HG2 ARG 7 HG2 ARG 7 -0.921 -11.138 0.876
54 HG3 ARG 7 HG1 ARG 7 -0.452 -9.563 1.519
55 HD2 ARG 7 HD2 ARG 7 -2.729 -9.127 2.208
56 HD3 ARG 7 HD1 ARG 7 -3.270 -10.634 1.471
57 HE ARG 7 HE ARG 7 -2.572 -11.740 3.339
58 HH11 ARG 7 HH11 ARG 7 -0.997 -8.628 3.250
59 HH12 ARG 7 HH12 ARG 7 -0.275 -8.808 4.813
60 HH21 ARG 7 HH21 ARG 7 -1.624 -11.980 5.396
61 HH22 ARG 7 HH22 ARG 7 -0.630 -10.711 6.031
62 H SER 8 HN SER 8 -2.387 -8.049 -2.307
63 HA SER 8 HA SER 8 -1.365 -9.093 -4.834
64 HB2 SER 8 HB2 SER 8 -4.072 -8.248 -3.860
65 HB3 SER 8 HB1 SER 8 -3.752 -8.327 -5.592
66 HG SER 8 HG SER 8 -3.950 -10.403 -5.457
67 H ASN 9 HN ASN 9 -3.448 -6.259 -4.439
68 HA ASN 9 HA ASN 9 -1.355 -4.597 -5.651
69 HB2 ASN 9 HB2 ASN 9 -2.965 -5.361 -7.395
70 HB3 ASN 9 HB1 ASN 9 -4.253 -4.559 -6.502
71 HD21 ASN 9 HD21 ASN 9 -3.970 -2.226 -6.125
72 HD22 ASN 9 HD22 ASN 9 -3.217 -1.284 -7.363
73 H SER 10 HN SER 10 -4.564 -4.553 -4.150
74 HA SER 10 HA SER 10 -3.727 -2.188 -2.621
75 HB2 SER 10 HB2 SER 10 -5.939 -1.218 -2.848
76 HB3 SER 10 HB1 SER 10 -5.297 -1.555 -4.456
77 HG SER 10 HG SER 10 -7.519 -2.226 -4.084
78 H ASP 11 HN ASP 11 -3.452 -4.764 -1.679
79 HA ASP 11 HA ASP 11 -5.728 -5.541 -0.117
80 HB2 ASP 11 HB2 ASP 11 -2.930 -6.500 -0.460
81 HB3 ASP 11 HB1 ASP 11 -3.763 -6.942 1.027
82 H CYS 12 HN CYS 12 -5.524 -3.011 0.543
83 HA CYS 12 HA CYS 12 -4.674 -3.107 3.320
84 HB2 CYS 12 HB2 CYS 12 -3.395 -1.428 1.241
85 HB3 CYS 12 HB1 CYS 12 -3.756 -0.629 2.767
86 H ASN 13 HN ASN 13 -5.315 -0.092 1.637
87 HA ASN 13 HA ASN 13 -8.129 -0.102 2.246
88 HB2 ASN 13 HB2 ASN 13 -7.000 2.236 3.566
89 HB3 ASN 13 HB1 ASN 13 -8.185 1.079 4.158
90 HD21 ASN 13 HD21 ASN 13 -5.043 2.227 4.403
91 HD22 ASN 13 HD22 ASN 13 -4.411 1.018 5.461
92 H ILE 14 HN ILE 14 -8.948 2.329 1.969
93 HA ILE 14 HA ILE 14 -8.596 3.013 -0.687
94 HB ILE 14 HB ILE 14 -9.751 5.069 -0.252
95 HG12 ILE 14 HG12 ILE 14 -8.380 5.732 1.742
96 HG13 ILE 14 HG11 ILE 14 -10.108 5.990 1.943
97 HG21 ILE 14 HG21 ILE 14 -11.730 4.254 0.834
98 HG22 ILE 14 HG22 ILE 14 -10.812 2.992 1.655
99 HG23 ILE 14 HG23 ILE 14 -11.010 2.939 -0.097
100 HD11 ILE 14 HD11 ILE 14 -9.326 5.102 3.973
101 HD12 ILE 14 HD12 ILE 14 -8.403 3.842 3.156
102 HD13 ILE 14 HD13 ILE 14 -10.165 3.781 3.159
103 H ILE 15 HN ILE 15 -6.725 3.933 2.085
104 HA ILE 15 HA ILE 15 -5.351 6.133 0.938
105 HB ILE 15 HB ILE 15 -4.504 4.244 3.138
106 HG12 ILE 15 HG12 ILE 15 -5.321 7.039 3.669
107 HG13 ILE 15 HG11 ILE 15 -6.602 5.920 3.215
108 HG21 ILE 15 HG21 ILE 15 -2.555 5.292 2.282
109 HG22 ILE 15 HG22 ILE 15 -2.976 6.109 3.785
110 HG23 ILE 15 HG23 ILE 15 -3.346 6.865 2.235
111 HD11 ILE 15 HD11 ILE 15 -6.308 4.622 5.107
112 HD12 ILE 15 HD12 ILE 15 -6.049 6.260 5.707
113 HD13 ILE 15 HD13 ILE 15 -4.668 5.214 5.378
114 H TRP 16 HN TRP 16 -4.018 2.967 1.741
115 HA TRP 16 HA TRP 16 -2.122 3.256 -0.453
116 HB2 TRP 16 HB2 TRP 16 -2.108 1.222 1.776
117 HB3 TRP 16 HB1 TRP 16 -0.769 1.678 0.722
118 HD1 TRP 16 HD1 TRP 16 0.030 4.328 0.987
119 HE1 TRP 16 HE1 TRP 16 0.219 5.759 3.085
120 HE3 TRP 16 HE3 TRP 16 -2.967 1.591 4.047
121 HZ2 TRP 16 HZ2 TRP 16 -0.767 5.729 5.742
122 HZ3 TRP 16 HZ3 TRP 16 -3.303 2.355 6.365
123 HH2 TRP 16 HH2 TRP 16 -2.227 4.383 7.187
124 H ARG 17 HN ARG 17 -2.754 2.458 -2.311
125 HA ARG 17 HA ARG 17 -3.960 -0.225 -2.351
126 HB2 ARG 17 HB2 ARG 17 -5.119 0.575 -4.485
127 HB3 ARG 17 HB1 ARG 17 -5.745 1.179 -2.957
128 HG2 ARG 17 HG2 ARG 17 -4.807 3.304 -3.287
129 HG3 ARG 17 HG1 ARG 17 -3.755 2.728 -4.581
130 HD2 ARG 17 HD2 ARG 17 -5.381 2.859 -6.141
131 HD3 ARG 17 HD1 ARG 17 -6.641 2.347 -5.019
132 HE ARG 17 HE ARG 17 -5.860 5.043 -5.638
133 HH11 ARG 17 HH11 ARG 17 -7.359 2.974 -3.261
134 HH12 ARG 17 HH12 ARG 17 -8.264 4.258 -2.531
135 HH21 ARG 17 HH21 ARG 17 -7.049 6.733 -4.681
136 HH22 ARG 17 HH22 ARG 17 -8.088 6.392 -3.337
137 H ILE 18 HN ILE 18 -1.205 1.344 -2.985
138 HA ILE 18 HA ILE 18 -0.710 -0.040 -5.533
139 HB ILE 18 HB ILE 18 0.812 2.217 -4.213
140 HG12 ILE 18 HG12 ILE 18 0.157 3.235 -6.557
141 HG13 ILE 18 HG11 ILE 18 -1.111 2.016 -6.502
142 HG21 ILE 18 HG21 ILE 18 1.433 0.571 -6.647
143 HG22 ILE 18 HG22 ILE 18 2.471 0.938 -5.270
144 HG23 ILE 18 HG23 ILE 18 2.072 2.200 -6.434
145 HD11 ILE 18 HD11 ILE 18 -2.024 4.031 -5.669
146 HD12 ILE 18 HD12 ILE 18 -0.656 4.281 -4.586
147 HD13 ILE 18 HD13 ILE 18 -1.789 2.964 -4.286
148 H CYS 19 HN CYS 19 -0.452 -2.087 -4.557
149 HA CYS 19 HA CYS 19 1.267 -2.626 -2.414
150 HB2 CYS 19 HB2 CYS 19 -0.353 -4.272 -3.027
151 HB3 CYS 19 HB1 CYS 19 0.260 -4.357 -4.672
152 H ARG 20 HN ARG 20 3.111 -1.303 -2.930
153 HA ARG 20 HA ARG 20 4.786 -2.049 -5.158
154 HB2 ARG 20 HB2 ARG 20 4.518 0.268 -3.852
155 HB3 ARG 20 HB1 ARG 20 5.851 -0.399 -2.918
156 HG2 ARG 20 HG2 ARG 20 7.059 0.672 -4.497
157 HG3 ARG 20 HG1 ARG 20 6.803 -0.840 -5.369
158 HD2 ARG 20 HD2 ARG 20 4.675 0.295 -6.273
159 HD3 ARG 20 HD1 ARG 20 5.414 1.795 -5.715
160 HE ARG 20 HE ARG 20 6.175 0.233 -8.001
161 HH11 ARG 20 HH11 ARG 20 7.273 2.546 -5.629
162 HH12 ARG 20 HH12 ARG 20 8.545 3.158 -6.633
163 HH21 ARG 20 HH21 ARG 20 7.848 1.037 -9.322
164 HH22 ARG 20 HH22 ARG 20 8.872 2.301 -8.728
165 H ASP 21 HN ASP 21 7.315 -1.803 -3.683
166 HA ASP 21 HA ASP 21 8.148 -4.323 -3.373
167 HB2 ASP 21 HB2 ASP 21 9.331 -1.994 -2.932
168 HB3 ASP 21 HB1 ASP 21 9.069 -2.445 -1.250
169 H GLY 22 HN GLY 22 6.111 -5.356 -2.590
170 HA2 GLY 22 HA2 GLY 22 4.981 -6.550 -0.994
171 HA3 GLY 22 HA1 GLY 22 6.456 -6.449 -0.047
172 H CYS 23 HN CYS 23 4.953 -3.473 -0.950
173 HA CYS 23 HA CYS 23 3.594 -3.309 1.644
174 HB2 CYS 23 HB2 CYS 23 5.560 -1.257 0.613
175 HB3 CYS 23 HB1 CYS 23 4.555 -1.068 2.045
176 H CYS 24 HN CYS 24 2.138 -1.427 1.813
177 HA CYS 24 HA CYS 24 0.796 -0.997 -0.740
178 HB2 CYS 24 HB2 CYS 24 -0.164 -0.243 2.026
179 HB3 CYS 24 HB1 CYS 24 -1.118 -0.287 0.548
180 H ASN 25 HN ASN 25 0.923 0.865 -1.816
181 HA ASN 25 HA ASN 25 1.986 3.215 -0.379
182 HB2 ASN 25 HB2 ASN 25 2.283 2.399 -3.269
183 HB3 ASN 25 HB1 ASN 25 2.735 3.986 -2.667
184 HD21 ASN 25 HD21 ASN 25 3.204 0.559 -1.968
185 HD22 ASN 25 HD22 ASN 25 4.872 0.690 -1.562
186 H VAL 26 HN VAL 26 0.878 5.092 -0.402
187 HA VAL 26 HA VAL 26 -1.765 5.045 -1.599
188 HB VAL 26 HB VAL 26 -1.699 5.703 0.708
189 HG11 VAL 26 HG11 VAL 26 -0.207 7.048 1.632
190 HG12 VAL 26 HG12 VAL 26 -0.462 8.300 0.417
191 HG13 VAL 26 HG13 VAL 26 0.661 6.978 0.098
192 HG21 VAL 26 HG21 VAL 26 -3.424 7.032 0.341
193 HG22 VAL 26 HG22 VAL 26 -2.915 7.190 -1.338
194 HG23 VAL 26 HG23 VAL 26 -2.356 8.351 -0.135
195 H ILE 27 HN ILE 27 0.471 5.307 -3.367
196 HA ILE 27 HA ILE 27 0.660 8.070 -4.156
197 HB ILE 27 HB ILE 27 2.567 6.552 -4.458
198 HG12 ILE 27 HG12 ILE 27 1.744 7.240 -7.246
199 HG13 ILE 27 HG11 ILE 27 1.877 8.542 -6.069
200 HG21 ILE 27 HG21 ILE 27 1.411 4.494 -4.941
201 HG22 ILE 27 HG22 ILE 27 2.509 4.871 -6.269
202 HG23 ILE 27 HG23 ILE 27 0.778 5.161 -6.446
203 HD11 ILE 27 HD11 ILE 27 3.971 8.544 -6.987
204 HD12 ILE 27 HD12 ILE 27 3.993 6.795 -7.214
205 HD13 ILE 27 HD13 ILE 27 4.215 7.478 -5.603
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