Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
633085 | 6e5h RC | 30496 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASN 1 HT1 ASN 1 9.146 -5.601 3.229
2 H2 ASN 1 HT2 ASN 1 10.613 -5.928 4.009
3 H3 ASN 1 HT3 ASN 1 10.553 -5.870 2.321
4 HA ASN 1 HA ASN 1 10.163 -3.624 4.198
5 HB2 ASN 1 HB2 ASN 1 12.318 -4.214 2.160
6 HB3 ASN 1 HB1 ASN 1 12.155 -2.685 3.014
7 HD21 ASN 1 HD21 ASN 1 14.370 -4.532 3.031
8 HD22 ASN 1 HD22 ASN 1 14.593 -5.012 4.678
9 H ASP 2 HN ASP 2 9.503 -4.938 1.087
10 HA ASP 2 HA ASP 2 8.787 -2.448 -0.159
11 HB2 ASP 2 HB2 ASP 2 8.106 -5.315 -0.866
12 HB3 ASP 2 HB1 ASP 2 7.643 -3.925 -1.835
13 H LYS 3 HN LYS 3 7.483 -1.569 1.539
14 HA LYS 3 HA LYS 3 5.353 -3.040 2.673
15 HB2 LYS 3 HB2 LYS 3 6.079 -0.124 2.809
16 HB3 LYS 3 HB1 LYS 3 4.693 -0.800 3.658
17 HG2 LYS 3 HG2 LYS 3 7.575 -1.604 4.037
18 HG3 LYS 3 HG1 LYS 3 6.599 -0.633 5.142
19 HD2 LYS 3 HD2 LYS 3 5.113 -2.501 5.530
20 HD3 LYS 3 HD1 LYS 3 5.971 -3.473 4.338
21 HE2 LYS 3 HE2 LYS 3 7.999 -3.337 5.719
22 HE3 LYS 3 HE1 LYS 3 7.091 -2.428 6.927
23 HZ1 LYS 3 HZ1 LYS 3 6.411 -5.177 6.029
24 HZ2 LYS 3 HZ2 LYS 3 5.665 -4.305 7.276
25 HZ3 LYS 3 HZ3 LYS 3 7.270 -4.809 7.442
26 H CYS 4 HN CYS 4 5.529 -0.829 -0.018
27 HA CYS 4 HA CYS 4 2.774 -0.400 -0.349
28 HB2 CYS 4 HB2 CYS 4 4.532 0.813 -1.627
29 HB3 CYS 4 HB1 CYS 4 4.876 -0.665 -2.514
30 H LYS 5 HN LYS 5 4.922 -2.934 -1.552
31 HA LYS 5 HA LYS 5 2.925 -4.400 -2.916
32 HB2 LYS 5 HB2 LYS 5 5.712 -4.973 -2.001
33 HB3 LYS 5 HB1 LYS 5 4.698 -6.312 -2.508
34 HG2 LYS 5 HG2 LYS 5 6.073 -5.577 -4.337
35 HG3 LYS 5 HG1 LYS 5 4.384 -5.234 -4.691
36 HD2 LYS 5 HD2 LYS 5 4.732 -2.894 -4.061
37 HD3 LYS 5 HD1 LYS 5 6.423 -3.244 -3.693
38 HE2 LYS 5 HE2 LYS 5 6.221 -2.238 -5.899
39 HE3 LYS 5 HE1 LYS 5 6.788 -3.901 -6.028
40 HZ1 LYS 5 HZ1 LYS 5 4.478 -4.557 -6.524
41 HZ2 LYS 5 HZ2 LYS 5 5.121 -3.505 -7.678
42 HZ3 LYS 5 HZ3 LYS 5 4.029 -2.927 -6.526
43 H GLU 6 HN GLU 6 4.413 -4.758 0.278
44 HA GLU 6 HA GLU 6 3.114 -7.104 1.040
45 HB2 GLU 6 HB2 GLU 6 4.217 -4.815 2.671
46 HB3 GLU 6 HB1 GLU 6 3.571 -6.275 3.406
47 HG2 GLU 6 HG2 GLU 6 5.259 -7.621 2.435
48 HG3 GLU 6 HG1 GLU 6 5.790 -6.320 1.376
49 H LEU 7 HN LEU 7 2.142 -3.719 1.487
50 HA LEU 7 HA LEU 7 -0.226 -4.348 2.926
51 HB2 LEU 7 HB2 LEU 7 0.556 -1.877 1.387
52 HB3 LEU 7 HB1 LEU 7 -0.858 -1.995 2.414
53 HG LEU 7 HG LEU 7 1.977 -2.349 3.396
54 HD11 LEU 7 HD11 LEU 7 1.750 -0.115 4.351
55 HD12 LEU 7 HD12 LEU 7 0.172 0.060 3.586
56 HD13 LEU 7 HD13 LEU 7 1.624 -0.070 2.593
57 HD21 LEU 7 HD21 LEU 7 0.280 -3.471 4.761
58 HD22 LEU 7 HD22 LEU 7 -0.615 -1.958 4.889
59 HD23 LEU 7 HD23 LEU 7 0.988 -2.097 5.608
60 H LYS 8 HN LYS 8 0.463 -3.697 -0.491
61 HA LYS 8 HA LYS 8 -2.288 -3.811 -1.259
62 HB2 LYS 8 HB2 LYS 8 0.285 -3.807 -2.808
63 HB3 LYS 8 HB1 LYS 8 -1.269 -4.001 -3.603
64 HG2 LYS 8 HG2 LYS 8 -2.005 -1.860 -2.716
65 HG3 LYS 8 HG1 LYS 8 -0.462 -1.662 -1.888
66 HD2 LYS 8 HD2 LYS 8 -0.508 -0.376 -3.951
67 HD3 LYS 8 HD1 LYS 8 0.687 -1.669 -4.050
68 HE2 LYS 8 HE2 LYS 8 -0.643 -1.425 -6.115
69 HE3 LYS 8 HE1 LYS 8 -0.809 -3.014 -5.374
70 HZ1 LYS 8 HZ1 LYS 8 -2.919 -2.337 -4.443
71 HZ2 LYS 8 HZ2 LYS 8 -2.935 -2.124 -6.117
72 HZ3 LYS 8 HZ3 LYS 8 -2.755 -0.789 -5.100
73 H LYS 9 HN LYS 9 0.046 -6.212 -0.613
74 HA LYS 9 HA LYS 9 -1.391 -8.252 -2.098
75 HB2 LYS 9 HB2 LYS 9 1.012 -8.376 -0.271
76 HB3 LYS 9 HB1 LYS 9 0.284 -9.799 -1.005
77 HG2 LYS 9 HG2 LYS 9 0.793 -8.970 -3.214
78 HG3 LYS 9 HG1 LYS 9 1.411 -7.464 -2.537
79 HD2 LYS 9 HD2 LYS 9 3.184 -8.694 -1.400
80 HD3 LYS 9 HD1 LYS 9 2.557 -10.211 -2.047
81 HE2 LYS 9 HE2 LYS 9 2.989 -9.418 -4.320
82 HE3 LYS 9 HE1 LYS 9 3.603 -7.897 -3.675
83 HZ1 LYS 9 HZ1 LYS 9 5.395 -9.079 -2.615
84 HZ2 LYS 9 HZ2 LYS 9 5.375 -9.459 -4.263
85 HZ3 LYS 9 HZ3 LYS 9 4.781 -10.565 -3.135
86 H ARG 10 HN ARG 10 -0.834 -7.318 1.275
87 HA ARG 10 HA ARG 10 -2.359 -9.441 2.383
88 HB2 ARG 10 HB2 ARG 10 -1.573 -6.763 3.543
89 HB3 ARG 10 HB1 ARG 10 -2.340 -8.052 4.460
90 HG2 ARG 10 HG2 ARG 10 -0.446 -9.507 4.057
91 HG3 ARG 10 HG1 ARG 10 0.315 -8.264 3.056
92 HD2 ARG 10 HD2 ARG 10 0.329 -6.763 5.042
93 HD3 ARG 10 HD1 ARG 10 -0.278 -8.105 6.013
94 HE ARG 10 HE ARG 10 1.962 -9.119 4.851
95 HH11 ARG 10 HH11 ARG 10 2.904 -6.192 7.431
96 HH12 ARG 10 HH12 ARG 10 1.293 -6.284 6.794
97 HH21 ARG 10 HH21 ARG 10 4.085 -8.992 5.694
98 HH22 ARG 10 HH22 ARG 10 4.486 -7.727 6.809
99 H TYR 11 HN TYR 11 -3.123 -6.074 1.594
100 HA TYR 11 HA TYR 11 -5.903 -6.479 2.372
101 HB2 TYR 11 HB2 TYR 11 -4.437 -4.041 1.359
102 HB3 TYR 11 HB1 TYR 11 -6.143 -4.072 1.775
103 HD1 TYR 11 HD1 TYR 11 -6.817 -4.527 4.143
104 HD2 TYR 11 HD2 TYR 11 -2.783 -3.787 3.021
105 HE1 TYR 11 HE1 TYR 11 -6.271 -3.992 6.478
106 HE2 TYR 11 HE2 TYR 11 -2.226 -3.256 5.350
107 HH TYR 11 HH TYR 11 -4.347 -3.917 7.950
108 H AIB 12 HN AIB 12 -5.522 -8.175 0.442
109 HB11 AIB 12 HB11 AIB 12 -6.597 -9.631 -2.634
110 HB12 AIB 12 HB12 AIB 12 -6.832 -9.830 -0.900
111 HB13 AIB 12 HB13 AIB 12 -5.204 -9.665 -1.555
112 HB21 AIB 12 HB21 AIB 12 -5.406 -6.160 -2.451
113 HB22 AIB 12 HB22 AIB 12 -5.877 -7.452 -3.554
114 HB23 AIB 12 HB23 AIB 12 -4.455 -7.643 -2.530
115 H GLY 13 HN GLY 13 -7.223 -5.669 -2.477
116 HA2 GLY 13 HA2 GLY 13 -9.596 -5.769 -3.418
117 HA3 GLY 13 HA1 GLY 13 -10.014 -6.290 -1.794
118 H CYS 14 HN CYS 14 -7.840 -4.400 -0.782
119 HA CYS 14 HA CYS 14 -9.613 -2.107 -0.572
120 HB2 CYS 14 HB2 CYS 14 -6.981 -2.655 0.793
121 HB3 CYS 14 HB1 CYS 14 -8.071 -1.327 1.160
122 H GLU 15 HN GLU 15 -8.855 0.049 -0.835
123 HA GLU 15 HA GLU 15 -7.029 0.364 -3.069
124 HB2 GLU 15 HB2 GLU 15 -9.106 1.629 -3.119
125 HB3 GLU 15 HB1 GLU 15 -8.750 2.337 -1.551
126 HG2 GLU 15 HG2 GLU 15 -8.310 3.966 -3.228
127 HG3 GLU 15 HG1 GLU 15 -6.767 3.436 -2.562
128 H VAL 16 HN VAL 16 -5.011 -0.051 -2.221
129 HA VAL 16 HA VAL 16 -4.131 1.522 0.072
130 HB VAL 16 HB VAL 16 -2.568 -0.522 -1.509
131 HG11 VAL 16 HG11 VAL 16 -1.121 1.051 -0.391
132 HG12 VAL 16 HG12 VAL 16 -1.063 -0.496 0.457
133 HG13 VAL 16 HG13 VAL 16 -2.003 0.840 1.120
134 HG21 VAL 16 HG21 VAL 16 -2.950 -2.009 0.434
135 HG22 VAL 16 HG22 VAL 16 -4.431 -1.613 -0.435
136 HG23 VAL 16 HG23 VAL 16 -4.065 -0.812 1.091
137 H ARG 17 HN ARG 17 -3.688 3.548 -0.465
138 HA ARG 17 HA ARG 17 -2.447 4.168 -3.011
139 HB2 ARG 17 HB2 ARG 17 -4.244 5.613 -2.115
140 HB3 ARG 17 HB1 ARG 17 -3.216 6.004 -0.744
141 HG2 ARG 17 HG2 ARG 17 -1.558 6.960 -2.320
142 HG3 ARG 17 HG1 ARG 17 -2.707 6.680 -3.630
143 HD2 ARG 17 HD2 ARG 17 -3.203 8.386 -1.197
144 HD3 ARG 17 HD1 ARG 17 -2.782 8.992 -2.798
145 HE ARG 17 HE ARG 17 -4.942 7.777 -3.487
146 HH11 ARG 17 HH11 ARG 17 -4.437 9.278 -0.357
147 HH12 ARG 17 HH12 ARG 17 -6.111 9.709 -0.164
148 HH21 ARG 17 HH21 ARG 17 -7.135 8.345 -3.231
149 HH22 ARG 17 HH22 ARG 17 -7.644 9.187 -1.804
150 H CYS 18 HN CYS 18 -0.349 3.867 -3.180
151 HA CYS 18 HA CYS 18 1.385 4.238 -0.883
152 HB2 CYS 18 HB2 CYS 18 2.036 3.348 -3.702
153 HB3 CYS 18 HB1 CYS 18 3.145 3.329 -2.336
154 H ASP 19 HN ASP 19 2.285 6.145 -0.483
155 HA ASP 19 HA ASP 19 3.021 7.875 -2.733
156 HB2 ASP 19 HB2 ASP 19 0.841 8.645 -1.787
157 HB3 ASP 19 HB1 ASP 19 1.636 8.861 -0.232
158 HA DPR 20 HA DPR 20 6.798 8.689 -0.604
159 HB2 DPR 20 HB2 DPR 20 8.409 7.618 -1.782
160 HB3 DPR 20 HB1 DPR 20 7.766 6.024 -1.382
161 HG2 DPR 20 HG2 DPR 20 6.992 7.883 -3.583
162 HG3 DPR 20 HG1 DPR 20 7.145 6.118 -3.610
163 HD2 DPR 20 HD2 DPR 20 4.754 7.321 -3.477
164 HD3 DPR 20 HD1 DPR 20 5.071 5.801 -2.618
165 HA PRO 21 HA PRO 21 7.179 6.094 3.050
166 HB2 PRO 21 HB2 PRO 21 7.411 8.073 4.824
167 HB3 PRO 21 HB1 PRO 21 8.724 7.702 3.699
168 HG2 PRO 21 HG2 PRO 21 6.686 9.883 3.577
169 HG3 PRO 21 HG1 PRO 21 8.415 9.948 3.201
170 HD2 PRO 21 HD2 PRO 21 6.396 9.695 1.323
171 HD3 PRO 21 HD1 PRO 21 8.085 9.222 1.066
172 H ARG 22 HN ARG 22 4.581 7.682 1.884
173 HA ARG 22 HA ARG 22 3.012 7.267 4.344
174 HB2 ARG 22 HB2 ARG 22 2.408 9.035 1.969
175 HB3 ARG 22 HB1 ARG 22 1.338 8.794 3.343
176 HG2 ARG 22 HG2 ARG 22 3.031 9.764 4.822
177 HG3 ARG 22 HG1 ARG 22 4.083 10.028 3.432
178 HD2 ARG 22 HD2 ARG 22 1.335 11.218 3.791
179 HD3 ARG 22 HD1 ARG 22 2.849 12.058 4.103
180 HE ARG 22 HE ARG 22 2.570 10.995 1.421
181 HH11 ARG 22 HH11 ARG 22 2.146 13.761 3.526
182 HH12 ARG 22 HH12 ARG 22 2.059 14.896 2.221
183 HH21 ARG 22 HH21 ARG 22 2.252 14.168 0.048
184 HH22 ARG 22 HH22 ARG 22 2.477 12.473 -0.288
185 H TYR 23 HN TYR 23 1.396 5.823 4.321
186 HA TYR 23 HA TYR 23 0.534 4.749 1.727
187 HB2 TYR 23 HB2 TYR 23 0.992 3.089 4.211
188 HB3 TYR 23 HB1 TYR 23 0.451 2.507 2.644
189 HD1 TYR 23 HD1 TYR 23 3.300 3.379 4.679
190 HD2 TYR 23 HD2 TYR 23 2.019 2.579 0.704
191 HE1 TYR 23 HE1 TYR 23 5.633 2.994 4.014
192 HE2 TYR 23 HE2 TYR 23 4.346 2.192 0.028
193 HH TYR 23 HH TYR 23 6.874 1.783 2.244
194 H GLU 24 HN GLU 24 -1.588 4.851 1.468
195 HA GLU 24 HA GLU 24 -3.234 5.248 3.882
196 HB2 GLU 24 HB2 GLU 24 -3.745 6.334 1.106
197 HB3 GLU 24 HB1 GLU 24 -4.727 6.629 2.532
198 HG2 GLU 24 HG2 GLU 24 -2.845 7.788 3.584
199 HG3 GLU 24 HG1 GLU 24 -1.875 7.509 2.140
200 H VAL 25 HN VAL 25 -4.137 3.338 4.284
201 HA VAL 25 HA VAL 25 -5.049 1.649 2.094
202 HB VAL 25 HB VAL 25 -5.037 1.162 5.082
203 HG11 VAL 25 HG11 VAL 25 -5.548 -1.178 4.507
204 HG12 VAL 25 HG12 VAL 25 -5.733 -0.709 2.818
205 HG13 VAL 25 HG13 VAL 25 -6.843 -0.078 4.032
206 HG21 VAL 25 HG21 VAL 25 -3.224 -0.422 4.572
207 HG22 VAL 25 HG22 VAL 25 -2.798 1.233 4.134
208 HG23 VAL 25 HG23 VAL 25 -3.272 0.085 2.885
209 H HIS 26 HN HIS 26 -6.990 2.005 1.288
210 HA HIS 26 HA HIS 26 -9.141 2.867 3.107
211 HB2 HIS 26 HB2 HIS 26 -8.455 4.573 1.427
212 HB3 HIS 26 HB1 HIS 26 -8.880 3.447 0.152
213 HD1 HIS 26 HD1 HIS 26 -10.368 5.803 2.620
214 HD2 HIS 26 HD2 HIS 26 -11.648 3.081 -0.242
215 HE1 HIS 26 HE1 HIS 26 -12.801 6.296 2.263
216 HE2 HIS 26 HE2 HIS 26 -13.587 4.537 0.643
217 H CYS 27 HN CYS 27 -10.050 0.930 3.590
218 HA CYS 27 HA CYS 27 -10.720 -0.923 1.447
219 HB2 CYS 27 HB2 CYS 27 -11.101 -1.131 4.439
220 HB3 CYS 27 HB1 CYS 27 -11.445 -2.406 3.279
221 HN1 NH2 28 HN1 NH2 28 -12.286 0.292 0.390
222 HN2 NH2 28 HN2 NH2 28 -13.861 0.557 1.052
Start of MODEL 2
1 H1 ASN 1 HT1 ASN 1 10.403 0.158 -1.851
2 H2 ASN 1 HT2 ASN 1 10.664 1.657 -2.586
3 H3 ASN 1 HT3 ASN 1 10.303 0.304 -3.534
4 HA ASN 1 HA ASN 1 8.485 1.526 -1.544
5 HB2 ASN 1 HB2 ASN 1 8.450 1.667 -4.568
6 HB3 ASN 1 HB1 ASN 1 7.170 2.260 -3.518
7 HD21 ASN 1 HD21 ASN 1 7.419 4.340 -4.364
8 HD22 ASN 1 HD22 ASN 1 8.753 5.345 -3.917
9 H ASP 2 HN ASP 2 9.455 -1.316 -2.429
10 HA ASP 2 HA ASP 2 7.302 -2.632 -3.675
11 HB2 ASP 2 HB2 ASP 2 9.569 -3.576 -3.527
12 HB3 ASP 2 HB1 ASP 2 9.377 -3.765 -1.790
13 H LYS 3 HN LYS 3 7.672 -1.520 -0.441
14 HA LYS 3 HA LYS 3 5.959 -3.276 0.912
15 HB2 LYS 3 HB2 LYS 3 6.618 -0.381 1.403
16 HB3 LYS 3 HB1 LYS 3 5.564 -1.299 2.463
17 HG2 LYS 3 HG2 LYS 3 8.446 -1.942 1.862
18 HG3 LYS 3 HG1 LYS 3 7.828 -1.205 3.339
19 HD2 LYS 3 HD2 LYS 3 6.534 -3.194 3.826
20 HD3 LYS 3 HD1 LYS 3 7.053 -3.930 2.310
21 HE2 LYS 3 HE2 LYS 3 9.420 -3.705 3.158
22 HE3 LYS 3 HE1 LYS 3 8.723 -3.293 4.725
23 HZ1 LYS 3 HZ1 LYS 3 7.635 -5.414 4.803
24 HZ2 LYS 3 HZ2 LYS 3 9.274 -5.672 4.485
25 HZ3 LYS 3 HZ3 LYS 3 8.140 -5.794 3.232
26 H CYS 4 HN CYS 4 5.302 -0.823 -1.395
27 HA CYS 4 HA CYS 4 2.614 -0.279 -0.755
28 HB2 CYS 4 HB2 CYS 4 3.958 1.044 -2.366
29 HB3 CYS 4 HB1 CYS 4 3.942 -0.317 -3.477
30 H LYS 5 HN LYS 5 4.140 -2.791 -2.717
31 HA LYS 5 HA LYS 5 1.612 -3.928 -3.487
32 HB2 LYS 5 HB2 LYS 5 4.449 -4.878 -3.865
33 HB3 LYS 5 HB1 LYS 5 3.051 -5.787 -4.419
34 HG2 LYS 5 HG2 LYS 5 2.400 -3.759 -5.758
35 HG3 LYS 5 HG1 LYS 5 3.973 -3.085 -5.348
36 HD2 LYS 5 HD2 LYS 5 3.458 -5.651 -6.842
37 HD3 LYS 5 HD1 LYS 5 4.050 -4.139 -7.531
38 HE2 LYS 5 HE2 LYS 5 5.474 -5.781 -5.443
39 HE3 LYS 5 HE1 LYS 5 5.841 -5.789 -7.166
40 HZ1 LYS 5 HZ1 LYS 5 6.555 -3.552 -7.066
41 HZ2 LYS 5 HZ2 LYS 5 7.293 -4.347 -5.766
42 HZ3 LYS 5 HZ3 LYS 5 5.960 -3.343 -5.498
43 H GLU 6 HN GLU 6 4.106 -4.579 -1.089
44 HA GLU 6 HA GLU 6 3.040 -7.070 -0.245
45 HB2 GLU 6 HB2 GLU 6 4.691 -5.078 1.324
46 HB3 GLU 6 HB1 GLU 6 4.365 -6.734 1.816
47 HG2 GLU 6 HG2 GLU 6 5.466 -7.443 -0.356
48 HG3 GLU 6 HG1 GLU 6 6.023 -5.778 -0.498
49 H LEU 7 HN LEU 7 2.490 -3.735 0.819
50 HA LEU 7 HA LEU 7 0.647 -4.412 2.862
51 HB2 LEU 7 HB2 LEU 7 1.061 -1.871 1.304
52 HB3 LEU 7 HB1 LEU 7 -0.102 -2.017 2.603
53 HG LEU 7 HG LEU 7 2.883 -2.390 2.890
54 HD11 LEU 7 HD11 LEU 7 2.808 -0.272 4.122
55 HD12 LEU 7 HD12 LEU 7 1.099 -0.105 3.723
56 HD13 LEU 7 HD13 LEU 7 2.312 -0.069 2.442
57 HD21 LEU 7 HD21 LEU 7 1.724 -3.735 4.514
58 HD22 LEU 7 HD22 LEU 7 0.657 -2.393 4.926
59 HD23 LEU 7 HD23 LEU 7 2.372 -2.309 5.324
60 H LYS 8 HN LYS 8 0.316 -3.646 -0.567
61 HA LYS 8 HA LYS 8 -2.474 -3.673 -0.715
62 HB2 LYS 8 HB2 LYS 8 -0.651 -3.160 -2.523
63 HB3 LYS 8 HB1 LYS 8 -0.777 -4.873 -2.880
64 HG2 LYS 8 HG2 LYS 8 -3.077 -2.936 -2.945
65 HG3 LYS 8 HG1 LYS 8 -2.151 -3.449 -4.352
66 HD2 LYS 8 HD2 LYS 8 -2.849 -5.764 -3.964
67 HD3 LYS 8 HD1 LYS 8 -3.768 -5.248 -2.550
68 HE2 LYS 8 HE2 LYS 8 -4.256 -4.432 -5.410
69 HE3 LYS 8 HE1 LYS 8 -5.247 -5.521 -4.444
70 HZ1 LYS 8 HZ1 LYS 8 -5.741 -3.679 -2.949
71 HZ2 LYS 8 HZ2 LYS 8 -6.218 -3.315 -4.533
72 HZ3 LYS 8 HZ3 LYS 8 -4.803 -2.641 -3.898
73 H LYS 9 HN LYS 9 -0.129 -6.311 -0.949
74 HA LYS 9 HA LYS 9 -1.957 -8.398 -1.404
75 HB2 LYS 9 HB2 LYS 9 0.421 -8.652 -1.833
76 HB3 LYS 9 HB1 LYS 9 0.785 -8.416 -0.131
77 HG2 LYS 9 HG2 LYS 9 0.958 -10.746 -0.698
78 HG3 LYS 9 HG1 LYS 9 -0.404 -10.498 0.393
79 HD2 LYS 9 HD2 LYS 9 -1.960 -10.647 -1.440
80 HD3 LYS 9 HD1 LYS 9 -0.635 -10.732 -2.604
81 HE2 LYS 9 HE2 LYS 9 -1.542 -12.944 -2.218
82 HE3 LYS 9 HE1 LYS 9 0.098 -12.846 -1.586
83 HZ1 LYS 9 HZ1 LYS 9 -1.338 -13.988 -0.045
84 HZ2 LYS 9 HZ2 LYS 9 -2.399 -12.678 0.009
85 HZ3 LYS 9 HZ3 LYS 9 -0.837 -12.524 0.636
86 H ARG 10 HN ARG 10 -0.666 -6.989 1.556
87 HA ARG 10 HA ARG 10 -1.834 -8.838 3.350
88 HB2 ARG 10 HB2 ARG 10 0.007 -7.281 3.942
89 HB3 ARG 10 HB1 ARG 10 -1.125 -5.941 3.834
90 HG2 ARG 10 HG2 ARG 10 -2.430 -6.869 5.658
91 HG3 ARG 10 HG1 ARG 10 -1.320 -8.241 5.764
92 HD2 ARG 10 HD2 ARG 10 -0.628 -5.340 6.222
93 HD3 ARG 10 HD1 ARG 10 -0.825 -6.570 7.469
94 HE ARG 10 HE ARG 10 1.210 -7.047 5.426
95 HH11 ARG 10 HH11 ARG 10 2.052 -6.296 9.281
96 HH12 ARG 10 HH12 ARG 10 0.432 -6.090 8.700
97 HH21 ARG 10 HH21 ARG 10 3.351 -7.320 6.199
98 HH22 ARG 10 HH22 ARG 10 3.706 -6.999 7.866
99 H TYR 11 HN TYR 11 -2.924 -5.761 2.023
100 HA TYR 11 HA TYR 11 -5.470 -5.987 3.435
101 HB2 TYR 11 HB2 TYR 11 -4.203 -3.771 1.831
102 HB3 TYR 11 HB1 TYR 11 -5.849 -3.694 2.443
103 HD1 TYR 11 HD1 TYR 11 -6.215 -3.777 4.952
104 HD2 TYR 11 HD2 TYR 11 -2.375 -3.271 3.199
105 HE1 TYR 11 HE1 TYR 11 -5.352 -2.933 7.091
106 HE2 TYR 11 HE2 TYR 11 -1.509 -2.426 5.329
107 HH TYR 11 HH TYR 11 -3.162 -2.758 8.246
108 H AIB 12 HN AIB 12 -5.132 -7.934 1.521
109 HB11 AIB 12 HB11 AIB 12 -6.905 -9.826 -0.956
110 HB12 AIB 12 HB12 AIB 12 -6.680 -9.803 0.792
111 HB13 AIB 12 HB13 AIB 12 -5.284 -9.689 -0.280
112 HB21 AIB 12 HB21 AIB 12 -6.398 -7.851 -2.291
113 HB22 AIB 12 HB22 AIB 12 -4.819 -7.687 -1.525
114 HB23 AIB 12 HB23 AIB 12 -5.946 -6.331 -1.517
115 H GLY 13 HN GLY 13 -7.894 -6.601 -1.811
116 HA2 GLY 13 HA2 GLY 13 -10.332 -6.684 -1.867
117 HA3 GLY 13 HA1 GLY 13 -10.296 -6.759 -0.112
118 H CYS 14 HN CYS 14 -8.111 -4.772 -0.016
119 HA CYS 14 HA CYS 14 -9.724 -2.375 -0.552
120 HB2 CYS 14 HB2 CYS 14 -7.449 -2.713 1.407
121 HB3 CYS 14 HB1 CYS 14 -8.468 -1.292 1.225
122 H GLU 15 HN GLU 15 -8.545 -0.463 -1.211
123 HA GLU 15 HA GLU 15 -6.276 -1.155 -2.933
124 HB2 GLU 15 HB2 GLU 15 -8.087 1.263 -2.925
125 HB3 GLU 15 HB1 GLU 15 -6.746 1.014 -4.038
126 HG2 GLU 15 HG2 GLU 15 -9.175 -0.752 -3.803
127 HG3 GLU 15 HG1 GLU 15 -8.903 0.462 -5.050
128 H VAL 16 HN VAL 16 -4.302 -0.521 -2.407
129 HA VAL 16 HA VAL 16 -4.039 1.247 -0.081
130 HB VAL 16 HB VAL 16 -2.056 -0.747 -1.192
131 HG11 VAL 16 HG11 VAL 16 -1.954 0.931 1.316
132 HG12 VAL 16 HG12 VAL 16 -0.953 1.152 -0.122
133 HG13 VAL 16 HG13 VAL 16 -0.782 -0.306 0.857
134 HG21 VAL 16 HG21 VAL 16 -3.828 -0.844 1.248
135 HG22 VAL 16 HG22 VAL 16 -2.552 -2.003 0.884
136 HG23 VAL 16 HG23 VAL 16 -3.949 -1.866 -0.183
137 H ARG 17 HN ARG 17 -3.364 3.207 -0.407
138 HA ARG 17 HA ARG 17 -2.074 3.895 -2.937
139 HB2 ARG 17 HB2 ARG 17 -4.079 5.168 -2.337
140 HB3 ARG 17 HB1 ARG 17 -3.334 5.643 -0.820
141 HG2 ARG 17 HG2 ARG 17 -3.251 7.448 -2.440
142 HG3 ARG 17 HG1 ARG 17 -1.630 6.888 -2.030
143 HD2 ARG 17 HD2 ARG 17 -1.570 5.564 -4.083
144 HD3 ARG 17 HD1 ARG 17 -3.188 6.124 -4.496
145 HE ARG 17 HE ARG 17 -2.166 8.419 -4.536
146 HH11 ARG 17 HH11 ARG 17 -0.228 5.561 -5.142
147 HH12 ARG 17 HH12 ARG 17 0.940 6.407 -6.100
148 HH21 ARG 17 HH21 ARG 17 -0.645 9.522 -5.818
149 HH22 ARG 17 HH22 ARG 17 0.699 8.657 -6.496
150 H CYS 18 HN CYS 18 0.062 3.852 -2.894
151 HA CYS 18 HA CYS 18 1.451 4.461 -0.415
152 HB2 CYS 18 HB2 CYS 18 3.469 3.744 -1.886
153 HB3 CYS 18 HB1 CYS 18 2.348 2.523 -1.298
154 H ASP 19 HN ASP 19 2.311 6.351 -0.036
155 HA ASP 19 HA ASP 19 3.072 8.083 -2.285
156 HB2 ASP 19 HB2 ASP 19 0.949 8.882 -1.303
157 HB3 ASP 19 HB1 ASP 19 1.714 8.951 0.279
158 HA DPR 20 HA DPR 20 6.921 8.767 -0.166
159 HB2 DPR 20 HB2 DPR 20 8.494 7.795 -1.467
160 HB3 DPR 20 HB1 DPR 20 7.838 6.175 -1.209
161 HG2 DPR 20 HG2 DPR 20 7.070 8.237 -3.220
162 HG3 DPR 20 HG1 DPR 20 7.176 6.478 -3.403
163 HD2 DPR 20 HD2 DPR 20 4.819 7.742 -3.124
164 HD3 DPR 20 HD1 DPR 20 5.100 6.132 -2.436
165 HA PRO 21 HA PRO 21 7.313 5.803 3.208
166 HB2 PRO 21 HB2 PRO 21 7.640 7.590 5.161
167 HB3 PRO 21 HB1 PRO 21 8.923 7.288 3.983
168 HG2 PRO 21 HG2 PRO 21 6.944 9.530 4.091
169 HG3 PRO 21 HG1 PRO 21 8.678 9.588 3.730
170 HD2 PRO 21 HD2 PRO 21 6.691 9.591 1.819
171 HD3 PRO 21 HD1 PRO 21 8.353 9.041 1.534
172 H ARG 22 HN ARG 22 4.792 7.714 2.290
173 HA ARG 22 HA ARG 22 3.232 7.183 4.730
174 HB2 ARG 22 HB2 ARG 22 2.587 9.053 2.446
175 HB3 ARG 22 HB1 ARG 22 1.662 8.871 3.931
176 HG2 ARG 22 HG2 ARG 22 3.629 9.674 5.202
177 HG3 ARG 22 HG1 ARG 22 4.457 9.966 3.673
178 HD2 ARG 22 HD2 ARG 22 1.890 11.250 4.598
179 HD3 ARG 22 HD1 ARG 22 3.472 12.018 4.531
180 HE ARG 22 HE ARG 22 2.908 11.124 1.959
181 HH11 ARG 22 HH11 ARG 22 1.573 13.399 4.265
182 HH12 ARG 22 HH12 ARG 22 0.896 14.427 3.042
183 HH21 ARG 22 HH21 ARG 22 1.153 13.904 0.825
184 HH22 ARG 22 HH22 ARG 22 2.027 12.468 0.359
185 H TYR 23 HN TYR 23 1.290 6.073 4.596
186 HA TYR 23 HA TYR 23 0.564 4.968 1.985
187 HB2 TYR 23 HB2 TYR 23 0.966 3.343 4.500
188 HB3 TYR 23 HB1 TYR 23 0.270 2.730 3.007
189 HD1 TYR 23 HD1 TYR 23 3.309 3.540 4.776
190 HD2 TYR 23 HD2 TYR 23 1.695 2.568 0.965
191 HE1 TYR 23 HE1 TYR 23 5.559 2.983 3.969
192 HE2 TYR 23 HE2 TYR 23 3.941 2.003 0.149
193 HH TYR 23 HH TYR 23 6.551 1.499 2.154
194 H GLU 24 HN GLU 24 -1.578 4.724 1.659
195 HA GLU 24 HA GLU 24 -3.369 5.185 3.955
196 HB2 GLU 24 HB2 GLU 24 -3.775 6.205 1.132
197 HB3 GLU 24 HB1 GLU 24 -4.879 6.432 2.478
198 HG2 GLU 24 HG2 GLU 24 -3.142 7.743 3.641
199 HG3 GLU 24 HG1 GLU 24 -2.099 7.565 2.231
200 H VAL 25 HN VAL 25 -5.147 3.864 4.071
201 HA VAL 25 HA VAL 25 -5.307 1.787 1.987
202 HB VAL 25 HB VAL 25 -5.992 1.556 4.924
203 HG11 VAL 25 HG11 VAL 25 -6.102 -0.523 2.741
204 HG12 VAL 25 HG12 VAL 25 -7.491 0.210 3.543
205 HG13 VAL 25 HG13 VAL 25 -6.384 -0.816 4.457
206 HG21 VAL 25 HG21 VAL 25 -3.750 0.357 3.301
207 HG22 VAL 25 HG22 VAL 25 -4.110 -0.041 4.980
208 HG23 VAL 25 HG23 VAL 25 -3.597 1.591 4.549
209 H HIS 26 HN HIS 26 -7.046 1.970 0.755
210 HA HIS 26 HA HIS 26 -9.449 3.210 1.914
211 HB2 HIS 26 HB2 HIS 26 -8.338 4.444 0.029
212 HB3 HIS 26 HB1 HIS 26 -8.684 3.065 -1.004
213 HD1 HIS 26 HD1 HIS 26 -10.885 3.073 -2.167
214 HD2 HIS 26 HD2 HIS 26 -10.781 5.757 1.003
215 HE1 HIS 26 HE1 HIS 26 -13.037 4.355 -2.298
216 HE2 HIS 26 HE2 HIS 26 -12.911 6.040 -0.432
217 H CYS 27 HN CYS 27 -10.731 1.598 2.552
218 HA CYS 27 HA CYS 27 -11.095 -0.721 0.813
219 HB2 CYS 27 HB2 CYS 27 -12.107 -0.208 3.615
220 HB3 CYS 27 HB1 CYS 27 -12.266 -1.714 2.722
221 HN1 NH2 28 HN1 NH2 28 -12.394 0.015 -0.796
222 HN2 NH2 28 HN2 NH2 28 -13.992 0.631 -0.550
Start of MODEL 3
1 H1 ASN 1 HT1 ASN 1 10.232 -7.455 2.029
2 H2 ASN 1 HT2 ASN 1 8.948 -7.065 3.055
3 H3 ASN 1 HT3 ASN 1 10.373 -7.719 3.693
4 HA ASN 1 HA ASN 1 10.371 -5.409 4.157
5 HB2 ASN 1 HB2 ASN 1 12.210 -6.057 1.842
6 HB3 ASN 1 HB1 ASN 1 12.409 -4.693 2.935
7 HD21 ASN 1 HD21 ASN 1 13.240 -5.019 4.954
8 HD22 ASN 1 HD22 ASN 1 13.885 -6.538 5.470
9 H ASP 2 HN ASP 2 9.332 -6.196 0.946
10 HA ASP 2 HA ASP 2 9.049 -3.525 -0.006
11 HB2 ASP 2 HB2 ASP 2 7.823 -6.144 -0.864
12 HB3 ASP 2 HB1 ASP 2 7.399 -4.620 -1.626
13 H LYS 3 HN LYS 3 7.991 -2.271 1.445
14 HA LYS 3 HA LYS 3 5.802 -3.067 3.005
15 HB2 LYS 3 HB2 LYS 3 6.797 -0.329 2.227
16 HB3 LYS 3 HB1 LYS 3 5.454 -0.576 3.331
17 HG2 LYS 3 HG2 LYS 3 6.949 -1.836 4.828
18 HG3 LYS 3 HG1 LYS 3 8.292 -1.501 3.737
19 HD2 LYS 3 HD2 LYS 3 8.031 0.883 4.092
20 HD3 LYS 3 HD1 LYS 3 6.614 0.601 5.104
21 HE2 LYS 3 HE2 LYS 3 8.539 1.039 6.498
22 HE3 LYS 3 HE1 LYS 3 8.031 -0.638 6.695
23 HZ1 LYS 3 HZ1 LYS 3 10.256 0.259 4.946
24 HZ2 LYS 3 HZ2 LYS 3 9.812 -1.339 5.264
25 HZ3 LYS 3 HZ3 LYS 3 10.449 -0.379 6.499
26 H CYS 4 HN CYS 4 5.909 -1.156 0.011
27 HA CYS 4 HA CYS 4 3.141 -0.650 -0.090
28 HB2 CYS 4 HB2 CYS 4 4.742 0.676 -1.378
29 HB3 CYS 4 HB1 CYS 4 5.170 -0.738 -2.331
30 H LYS 5 HN LYS 5 5.135 -3.203 -1.505
31 HA LYS 5 HA LYS 5 3.039 -4.336 -3.043
32 HB2 LYS 5 HB2 LYS 5 5.615 -5.597 -2.097
33 HB3 LYS 5 HB1 LYS 5 4.566 -6.234 -3.357
34 HG2 LYS 5 HG2 LYS 5 5.984 -3.580 -3.472
35 HG3 LYS 5 HG1 LYS 5 6.544 -5.064 -4.239
36 HD2 LYS 5 HD2 LYS 5 4.492 -5.134 -5.583
37 HD3 LYS 5 HD1 LYS 5 3.948 -3.639 -4.821
38 HE2 LYS 5 HE2 LYS 5 4.915 -3.183 -7.002
39 HE3 LYS 5 HE1 LYS 5 5.899 -2.472 -5.724
40 HZ1 LYS 5 HZ1 LYS 5 6.468 -5.010 -7.155
41 HZ2 LYS 5 HZ2 LYS 5 7.405 -4.368 -5.903
42 HZ3 LYS 5 HZ3 LYS 5 7.279 -3.542 -7.373
43 H GLU 6 HN GLU 6 4.414 -5.104 0.123
44 HA GLU 6 HA GLU 6 2.846 -7.416 0.557
45 HB2 GLU 6 HB2 GLU 6 4.342 -5.581 2.419
46 HB3 GLU 6 HB1 GLU 6 3.436 -6.968 3.006
47 HG2 GLU 6 HG2 GLU 6 4.815 -8.476 1.749
48 HG3 GLU 6 HG1 GLU 6 5.645 -7.133 0.968
49 H LEU 7 HN LEU 7 2.375 -4.001 1.392
50 HA LEU 7 HA LEU 7 -0.035 -4.386 2.822
51 HB2 LEU 7 HB2 LEU 7 0.990 -1.998 1.292
52 HB3 LEU 7 HB1 LEU 7 -0.443 -1.974 2.299
53 HG LEU 7 HG LEU 7 2.340 -2.582 3.310
54 HD11 LEU 7 HD11 LEU 7 2.175 -0.270 2.541
55 HD12 LEU 7 HD12 LEU 7 2.266 -0.347 4.300
56 HD13 LEU 7 HD13 LEU 7 0.719 -0.044 3.512
57 HD21 LEU 7 HD21 LEU 7 1.345 -2.270 5.519
58 HD22 LEU 7 HD22 LEU 7 0.565 -3.592 4.653
59 HD23 LEU 7 HD23 LEU 7 -0.236 -2.025 4.778
60 H LYS 8 HN LYS 8 0.664 -3.727 -0.573
61 HA LYS 8 HA LYS 8 -1.978 -3.467 -1.471
62 HB2 LYS 8 HB2 LYS 8 0.603 -4.197 -2.804
63 HB3 LYS 8 HB1 LYS 8 -0.901 -4.293 -3.702
64 HG2 LYS 8 HG2 LYS 8 -0.094 -1.793 -2.258
65 HG3 LYS 8 HG1 LYS 8 0.475 -2.151 -3.889
66 HD2 LYS 8 HD2 LYS 8 -2.434 -2.092 -3.111
67 HD3 LYS 8 HD1 LYS 8 -1.572 -0.703 -3.769
68 HE2 LYS 8 HE2 LYS 8 -1.085 -1.936 -5.797
69 HE3 LYS 8 HE1 LYS 8 -1.852 -3.376 -5.135
70 HZ1 LYS 8 HZ1 LYS 8 -3.953 -2.217 -5.097
71 HZ2 LYS 8 HZ2 LYS 8 -3.306 -2.182 -6.658
72 HZ3 LYS 8 HZ3 LYS 8 -3.228 -0.807 -5.679
73 H LYS 9 HN LYS 9 0.071 -6.325 -1.116
74 HA LYS 9 HA LYS 9 -1.871 -8.086 -2.284
75 HB2 LYS 9 HB2 LYS 9 0.591 -8.665 -0.624
76 HB3 LYS 9 HB1 LYS 9 -0.368 -9.885 -1.455
77 HG2 LYS 9 HG2 LYS 9 0.190 -8.951 -3.592
78 HG3 LYS 9 HG1 LYS 9 1.017 -7.593 -2.828
79 HD2 LYS 9 HD2 LYS 9 2.612 -9.199 -1.818
80 HD3 LYS 9 HD1 LYS 9 1.821 -10.496 -2.718
81 HE2 LYS 9 HE2 LYS 9 2.362 -9.362 -4.819
82 HE3 LYS 9 HE1 LYS 9 3.156 -8.074 -3.917
83 HZ1 LYS 9 HZ1 LYS 9 3.984 -10.920 -4.014
84 HZ2 LYS 9 HZ2 LYS 9 4.714 -9.738 -3.054
85 HZ3 LYS 9 HZ3 LYS 9 4.777 -9.615 -4.737
86 H ARG 10 HN ARG 10 -1.018 -7.086 0.961
87 HA ARG 10 HA ARG 10 -2.493 -9.037 2.371
88 HB2 ARG 10 HB2 ARG 10 -0.712 -7.493 3.283
89 HB3 ARG 10 HB1 ARG 10 -1.919 -6.220 3.278
90 HG2 ARG 10 HG2 ARG 10 -3.293 -7.510 4.830
91 HG3 ARG 10 HG1 ARG 10 -2.069 -8.787 4.842
92 HD2 ARG 10 HD2 ARG 10 -1.859 -5.976 5.891
93 HD3 ARG 10 HD1 ARG 10 -1.647 -7.492 6.767
94 HE ARG 10 HE ARG 10 0.318 -7.608 4.926
95 HH11 ARG 10 HH11 ARG 10 0.976 -4.487 7.367
96 HH12 ARG 10 HH12 ARG 10 -0.605 -5.194 7.286
97 HH21 ARG 10 HH21 ARG 10 2.398 -6.701 5.049
98 HH22 ARG 10 HH22 ARG 10 2.694 -5.358 6.107
99 H TYR 11 HN TYR 11 -3.292 -5.762 1.289
100 HA TYR 11 HA TYR 11 -6.056 -6.160 2.195
101 HB2 TYR 11 HB2 TYR 11 -4.651 -3.639 1.308
102 HB3 TYR 11 HB1 TYR 11 -6.290 -3.739 1.930
103 HD1 TYR 11 HD1 TYR 11 -6.666 -4.347 4.319
104 HD2 TYR 11 HD2 TYR 11 -2.782 -3.576 2.771
105 HE1 TYR 11 HE1 TYR 11 -5.822 -4.060 6.602
106 HE2 TYR 11 HE2 TYR 11 -1.923 -3.285 5.058
107 HH TYR 11 HH TYR 11 -3.752 -4.163 7.832
108 H AIB 12 HN AIB 12 -5.745 -7.692 0.122
109 HB11 AIB 12 HB11 AIB 12 -6.873 -8.845 -3.070
110 HB12 AIB 12 HB12 AIB 12 -7.181 -9.182 -1.367
111 HB13 AIB 12 HB13 AIB 12 -5.523 -9.036 -1.951
112 HB21 AIB 12 HB21 AIB 12 -4.680 -6.847 -2.724
113 HB22 AIB 12 HB22 AIB 12 -5.732 -5.432 -2.674
114 HB23 AIB 12 HB23 AIB 12 -6.070 -6.744 -3.804
115 H GLY 13 HN GLY 13 -8.314 -7.060 0.056
116 HA2 GLY 13 HA2 GLY 13 -10.536 -6.472 -1.717
117 HA3 GLY 13 HA1 GLY 13 -10.636 -6.804 0.003
118 H CYS 14 HN CYS 14 -8.241 -4.547 -0.642
119 HA CYS 14 HA CYS 14 -10.074 -2.271 -0.312
120 HB2 CYS 14 HB2 CYS 14 -7.440 -2.389 1.125
121 HB3 CYS 14 HB1 CYS 14 -8.830 -1.373 1.467
122 H GLU 15 HN GLU 15 -8.675 -0.161 -0.601
123 HA GLU 15 HA GLU 15 -6.856 -0.613 -2.877
124 HB2 GLU 15 HB2 GLU 15 -8.458 1.851 -2.171
125 HB3 GLU 15 HB1 GLU 15 -7.364 1.710 -3.536
126 HG2 GLU 15 HG2 GLU 15 -8.786 0.002 -4.524
127 HG3 GLU 15 HG1 GLU 15 -9.867 0.088 -3.132
128 H VAL 16 HN VAL 16 -4.816 -0.561 -2.184
129 HA VAL 16 HA VAL 16 -4.092 1.206 0.023
130 HB VAL 16 HB VAL 16 -2.394 -0.827 -1.428
131 HG11 VAL 16 HG11 VAL 16 -1.079 0.975 -0.417
132 HG12 VAL 16 HG12 VAL 16 -0.834 -0.551 0.433
133 HG13 VAL 16 HG13 VAL 16 -1.875 0.689 1.132
134 HG21 VAL 16 HG21 VAL 16 -3.794 -0.991 1.238
135 HG22 VAL 16 HG22 VAL 16 -2.673 -2.192 0.598
136 HG23 VAL 16 HG23 VAL 16 -4.211 -1.896 -0.216
137 H ARG 17 HN ARG 17 -3.348 3.154 -0.348
138 HA ARG 17 HA ARG 17 -2.192 3.774 -2.969
139 HB2 ARG 17 HB2 ARG 17 -4.048 5.191 -2.199
140 HB3 ARG 17 HB1 ARG 17 -3.123 5.618 -0.771
141 HG2 ARG 17 HG2 ARG 17 -1.419 6.658 -2.209
142 HG3 ARG 17 HG1 ARG 17 -2.414 6.282 -3.618
143 HD2 ARG 17 HD2 ARG 17 -3.212 8.030 -1.291
144 HD3 ARG 17 HD1 ARG 17 -2.752 8.592 -2.899
145 HE ARG 17 HE ARG 17 -4.762 7.154 -3.625
146 HH11 ARG 17 HH11 ARG 17 -4.556 8.948 -0.617
147 HH12 ARG 17 HH12 ARG 17 -6.276 9.184 -0.506
148 HH21 ARG 17 HH21 ARG 17 -7.013 7.461 -3.471
149 HH22 ARG 17 HH22 ARG 17 -7.672 8.337 -2.127
150 H CYS 18 HN CYS 18 -0.072 3.765 -3.130
151 HA CYS 18 HA CYS 18 1.563 4.128 -0.736
152 HB2 CYS 18 HB2 CYS 18 2.336 3.154 -3.496
153 HB3 CYS 18 HB1 CYS 18 3.384 3.185 -2.083
154 H ASP 19 HN ASP 19 2.127 6.181 -0.365
155 HA ASP 19 HA ASP 19 2.908 7.848 -2.661
156 HB2 ASP 19 HB2 ASP 19 0.704 8.572 -1.871
157 HB3 ASP 19 HB1 ASP 19 1.331 8.734 -0.234
158 HA DPR 20 HA DPR 20 6.640 9.002 -0.599
159 HB2 DPR 20 HB2 DPR 20 8.322 7.871 -1.625
160 HB3 DPR 20 HB1 DPR 20 7.645 6.292 -1.215
161 HG2 DPR 20 HG2 DPR 20 6.965 8.121 -3.476
162 HG3 DPR 20 HG1 DPR 20 7.124 6.355 -3.472
163 HD2 DPR 20 HD2 DPR 20 4.722 7.586 -3.424
164 HD3 DPR 20 HD1 DPR 20 5.006 6.040 -2.600
165 HA PRO 21 HA PRO 21 7.228 6.756 3.235
166 HB2 PRO 21 HB2 PRO 21 7.027 8.852 4.883
167 HB3 PRO 21 HB1 PRO 21 8.435 8.639 3.836
168 HG2 PRO 21 HG2 PRO 21 6.045 10.405 3.452
169 HG3 PRO 21 HG1 PRO 21 7.759 10.776 3.195
170 HD2 PRO 21 HD2 PRO 21 6.034 10.089 1.181
171 HD3 PRO 21 HD1 PRO 21 7.783 9.795 1.123
172 H ARG 22 HN ARG 22 4.418 8.057 2.004
173 HA ARG 22 HA ARG 22 2.891 7.467 4.451
174 HB2 ARG 22 HB2 ARG 22 2.137 9.186 2.087
175 HB3 ARG 22 HB1 ARG 22 1.092 8.846 3.460
176 HG2 ARG 22 HG2 ARG 22 2.710 9.952 4.942
177 HG3 ARG 22 HG1 ARG 22 3.715 10.328 3.541
178 HD2 ARG 22 HD2 ARG 22 0.872 11.251 3.955
179 HD3 ARG 22 HD1 ARG 22 2.310 12.227 4.235
180 HE ARG 22 HE ARG 22 1.990 11.130 1.554
181 HH11 ARG 22 HH11 ARG 22 1.647 13.882 3.688
182 HH12 ARG 22 HH12 ARG 22 1.515 15.027 2.393
183 HH21 ARG 22 HH21 ARG 22 1.623 14.311 0.209
184 HH22 ARG 22 HH22 ARG 22 1.833 12.616 -0.144
185 H TYR 23 HN TYR 23 1.290 6.011 4.409
186 HA TYR 23 HA TYR 23 0.562 4.815 1.829
187 HB2 TYR 23 HB2 TYR 23 0.893 3.305 4.428
188 HB3 TYR 23 HB1 TYR 23 0.402 2.625 2.883
189 HD1 TYR 23 HD1 TYR 23 3.209 3.952 4.826
190 HD2 TYR 23 HD2 TYR 23 2.011 2.213 1.135
191 HE1 TYR 23 HE1 TYR 23 5.561 3.505 4.282
192 HE2 TYR 23 HE2 TYR 23 4.361 1.757 0.585
193 HH TYR 23 HH TYR 23 6.570 2.475 1.151
194 H GLU 24 HN GLU 24 -1.569 4.706 1.478
195 HA GLU 24 HA GLU 24 -3.331 5.268 3.775
196 HB2 GLU 24 HB2 GLU 24 -3.703 6.216 0.930
197 HB3 GLU 24 HB1 GLU 24 -4.804 6.515 2.261
198 HG2 GLU 24 HG2 GLU 24 -3.076 7.820 3.396
199 HG3 GLU 24 HG1 GLU 24 -1.979 7.527 2.047
200 H VAL 25 HN VAL 25 -4.044 3.255 4.188
201 HA VAL 25 HA VAL 25 -4.962 1.517 2.073
202 HB VAL 25 HB VAL 25 -5.221 1.241 5.078
203 HG11 VAL 25 HG11 VAL 25 -5.712 -0.777 2.890
204 HG12 VAL 25 HG12 VAL 25 -6.940 -0.028 3.908
205 HG13 VAL 25 HG13 VAL 25 -5.743 -1.112 4.621
206 HG21 VAL 25 HG21 VAL 25 -2.897 1.213 4.362
207 HG22 VAL 25 HG22 VAL 25 -3.268 -0.004 3.145
208 HG23 VAL 25 HG23 VAL 25 -3.400 -0.404 4.855
209 H HIS 26 HN HIS 26 -6.757 2.149 1.062
210 HA HIS 26 HA HIS 26 -8.908 3.414 2.578
211 HB2 HIS 26 HB2 HIS 26 -7.989 4.126 0.205
212 HB3 HIS 26 HB1 HIS 26 -9.071 2.864 -0.354
213 HD1 HIS 26 HD1 HIS 26 -9.015 6.373 0.351
214 HD2 HIS 26 HD2 HIS 26 -11.852 3.351 0.666
215 HE1 HIS 26 HE1 HIS 26 -11.237 7.538 0.443
216 HE2 HIS 26 HE2 HIS 26 -12.940 5.687 0.467
217 H CYS 27 HN CYS 27 -10.094 1.947 3.631
218 HA CYS 27 HA CYS 27 -11.300 -0.203 2.086
219 HB2 CYS 27 HB2 CYS 27 -9.111 -0.898 3.358
220 HB3 CYS 27 HB1 CYS 27 -10.162 -0.885 4.768
221 HN1 NH2 28 HN1 NH2 28 -11.004 0.844 5.465
222 HN2 NH2 28 HN2 NH2 28 -12.702 1.000 5.751
Start of MODEL 4
1 H1 ASN 1 HT1 ASN 1 8.828 -6.320 1.961
2 H2 ASN 1 HT2 ASN 1 10.056 -7.472 1.750
3 H3 ASN 1 HT3 ASN 1 9.126 -6.979 0.429
4 HA ASN 1 HA ASN 1 10.993 -5.285 1.970
5 HB2 ASN 1 HB2 ASN 1 11.190 -6.400 -0.838
6 HB3 ASN 1 HB1 ASN 1 12.307 -5.236 -0.135
7 HD21 ASN 1 HD21 ASN 1 14.059 -6.606 -0.370
8 HD22 ASN 1 HD22 ASN 1 14.277 -8.001 0.630
9 H ASP 2 HN ASP 2 9.023 -5.517 -0.978
10 HA ASP 2 HA ASP 2 8.837 -2.658 -1.245
11 HB2 ASP 2 HB2 ASP 2 7.347 -4.896 -2.637
12 HB3 ASP 2 HB1 ASP 2 7.204 -3.194 -3.049
13 H LYS 3 HN LYS 3 7.607 -1.504 0.059
14 HA LYS 3 HA LYS 3 5.827 -2.698 1.899
15 HB2 LYS 3 HB2 LYS 3 6.159 0.222 1.186
16 HB3 LYS 3 HB1 LYS 3 5.263 -0.383 2.568
17 HG2 LYS 3 HG2 LYS 3 7.279 0.252 3.490
18 HG3 LYS 3 HG1 LYS 3 7.494 -1.480 3.252
19 HD2 LYS 3 HD2 LYS 3 8.699 -1.032 1.160
20 HD3 LYS 3 HD1 LYS 3 8.495 0.700 1.420
21 HE2 LYS 3 HE2 LYS 3 10.697 0.080 2.124
22 HE3 LYS 3 HE1 LYS 3 9.743 0.460 3.555
23 HZ1 LYS 3 HZ1 LYS 3 9.452 -1.866 3.986
24 HZ2 LYS 3 HZ2 LYS 3 11.103 -1.563 3.791
25 HZ3 LYS 3 HZ3 LYS 3 10.224 -2.290 2.542
26 H CYS 4 HN CYS 4 5.374 -0.855 -1.066
27 HA CYS 4 HA CYS 4 2.584 -0.644 -0.955
28 HB2 CYS 4 HB2 CYS 4 4.468 -0.751 -3.309
29 HB3 CYS 4 HB1 CYS 4 2.750 -0.392 -3.456
30 H LYS 5 HN LYS 5 4.676 -3.173 -2.267
31 HA LYS 5 HA LYS 5 2.607 -4.729 -3.411
32 HB2 LYS 5 HB2 LYS 5 5.372 -5.518 -2.483
33 HB3 LYS 5 HB1 LYS 5 4.302 -6.562 -3.404
34 HG2 LYS 5 HG2 LYS 5 5.272 -3.887 -4.380
35 HG3 LYS 5 HG1 LYS 5 6.071 -5.417 -4.734
36 HD2 LYS 5 HD2 LYS 5 3.937 -6.221 -5.738
37 HD3 LYS 5 HD1 LYS 5 3.277 -4.601 -5.512
38 HE2 LYS 5 HE2 LYS 5 4.088 -4.886 -7.787
39 HE3 LYS 5 HE1 LYS 5 5.048 -3.684 -6.930
40 HZ1 LYS 5 HZ1 LYS 5 5.859 -6.519 -7.235
41 HZ2 LYS 5 HZ2 LYS 5 6.801 -5.246 -6.645
42 HZ3 LYS 5 HZ3 LYS 5 6.360 -5.286 -8.275
43 H GLU 6 HN GLU 6 4.272 -4.837 -0.298
44 HA GLU 6 HA GLU 6 2.988 -7.171 0.650
45 HB2 GLU 6 HB2 GLU 6 4.341 -4.905 2.120
46 HB3 GLU 6 HB1 GLU 6 3.760 -6.366 2.905
47 HG2 GLU 6 HG2 GLU 6 5.280 -7.706 1.527
48 HG3 GLU 6 HG1 GLU 6 5.873 -6.234 0.760
49 H LEU 7 HN LEU 7 2.249 -3.734 0.958
50 HA LEU 7 HA LEU 7 0.077 -4.077 2.744
51 HB2 LEU 7 HB2 LEU 7 0.827 -1.845 0.871
52 HB3 LEU 7 HB1 LEU 7 -0.542 -1.759 1.962
53 HG LEU 7 HG LEU 7 2.272 -2.240 2.926
54 HD11 LEU 7 HD11 LEU 7 2.328 0.145 3.509
55 HD12 LEU 7 HD12 LEU 7 0.790 0.376 2.682
56 HD13 LEU 7 HD13 LEU 7 2.221 -0.098 1.766
57 HD21 LEU 7 HD21 LEU 7 1.359 -1.479 5.063
58 HD22 LEU 7 HD22 LEU 7 0.491 -2.891 4.465
59 HD23 LEU 7 HD23 LEU 7 -0.228 -1.286 4.319
60 H LYS 8 HN LYS 8 0.309 -3.819 -0.782
61 HA LYS 8 HA LYS 8 -2.492 -3.885 -1.247
62 HB2 LYS 8 HB2 LYS 8 -0.131 -4.507 -3.011
63 HB3 LYS 8 HB1 LYS 8 -1.788 -4.610 -3.587
64 HG2 LYS 8 HG2 LYS 8 -2.120 -2.251 -3.130
65 HG3 LYS 8 HG1 LYS 8 -0.488 -2.133 -2.472
66 HD2 LYS 8 HD2 LYS 8 0.443 -2.734 -4.643
67 HD3 LYS 8 HD1 LYS 8 -1.185 -2.890 -5.307
68 HE2 LYS 8 HE2 LYS 8 -1.591 -0.518 -4.818
69 HE3 LYS 8 HE1 LYS 8 0.051 -0.375 -4.194
70 HZ1 LYS 8 HZ1 LYS 8 -0.613 -1.173 -6.976
71 HZ2 LYS 8 HZ2 LYS 8 0.925 -0.846 -6.356
72 HZ3 LYS 8 HZ3 LYS 8 -0.207 0.399 -6.508
73 H LYS 9 HN LYS 9 -0.050 -6.350 -0.863
74 HA LYS 9 HA LYS 9 -1.694 -8.538 -1.655
75 HB2 LYS 9 HB2 LYS 9 0.734 -8.692 -1.722
76 HB3 LYS 9 HB1 LYS 9 0.826 -8.417 0.010
77 HG2 LYS 9 HG2 LYS 9 -0.353 -10.544 0.387
78 HG3 LYS 9 HG1 LYS 9 -0.362 -10.821 -1.357
79 HD2 LYS 9 HD2 LYS 9 2.057 -10.816 -1.404
80 HD3 LYS 9 HD1 LYS 9 2.114 -10.433 0.316
81 HE2 LYS 9 HE2 LYS 9 0.991 -12.568 0.805
82 HE3 LYS 9 HE1 LYS 9 1.004 -12.950 -0.916
83 HZ1 LYS 9 HZ1 LYS 9 3.404 -12.916 -0.889
84 HZ2 LYS 9 HZ2 LYS 9 2.835 -14.005 0.273
85 HZ3 LYS 9 HZ3 LYS 9 3.418 -12.491 0.748
86 H ARG 10 HN ARG 10 -0.761 -7.155 1.472
87 HA ARG 10 HA ARG 10 -2.109 -9.051 3.064
88 HB2 ARG 10 HB2 ARG 10 -0.338 -7.613 3.947
89 HB3 ARG 10 HB1 ARG 10 -1.351 -6.197 3.703
90 HG2 ARG 10 HG2 ARG 10 -2.965 -7.090 5.319
91 HG3 ARG 10 HG1 ARG 10 -1.902 -8.478 5.588
92 HD2 ARG 10 HD2 ARG 10 -0.134 -6.964 6.357
93 HD3 ARG 10 HD1 ARG 10 -1.200 -5.585 6.089
94 HE ARG 10 HE ARG 10 -2.309 -7.560 7.866
95 HH11 ARG 10 HH11 ARG 10 -0.448 -4.305 9.309
96 HH12 ARG 10 HH12 ARG 10 -0.240 -4.746 7.647
97 HH21 ARG 10 HH21 ARG 10 -2.582 -6.987 10.061
98 HH22 ARG 10 HH22 ARG 10 -1.774 -5.582 10.685
99 H TYR 11 HN TYR 11 -3.048 -5.785 2.009
100 HA TYR 11 HA TYR 11 -5.659 -6.145 3.233
101 HB2 TYR 11 HB2 TYR 11 -4.407 -3.778 1.841
102 HB3 TYR 11 HB1 TYR 11 -6.014 -3.781 2.557
103 HD1 TYR 11 HD1 TYR 11 -6.189 -4.316 5.050
104 HD2 TYR 11 HD2 TYR 11 -2.537 -3.259 3.153
105 HE1 TYR 11 HE1 TYR 11 -5.243 -3.700 7.230
106 HE2 TYR 11 HE2 TYR 11 -1.580 -2.644 5.329
107 HH TYR 11 HH TYR 11 -2.358 -1.940 7.553
108 H AIB 12 HN AIB 12 -5.525 -7.970 1.373
109 HB11 AIB 12 HB11 AIB 12 -5.714 -9.642 -0.514
110 HB12 AIB 12 HB12 AIB 12 -7.329 -9.645 -1.224
111 HB13 AIB 12 HB13 AIB 12 -7.136 -9.698 0.527
112 HB21 AIB 12 HB21 AIB 12 -6.181 -6.205 -1.659
113 HB22 AIB 12 HB22 AIB 12 -6.695 -7.680 -2.478
114 HB23 AIB 12 HB23 AIB 12 -5.117 -7.608 -1.697
115 H GLY 13 HN GLY 13 -8.151 -6.347 -1.947
116 HA2 GLY 13 HA2 GLY 13 -10.545 -6.146 -1.990
117 HA3 GLY 13 HA1 GLY 13 -10.561 -6.503 -0.271
118 H CYS 14 HN CYS 14 -8.088 -4.576 -0.245
119 HA CYS 14 HA CYS 14 -9.690 -2.109 -0.141
120 HB2 CYS 14 HB2 CYS 14 -7.100 -2.695 1.290
121 HB3 CYS 14 HB1 CYS 14 -8.130 -1.288 1.512
122 H GLU 15 HN GLU 15 -8.793 -0.203 -0.967
123 HA GLU 15 HA GLU 15 -6.801 -0.625 -3.059
124 HB2 GLU 15 HB2 GLU 15 -8.503 1.785 -2.401
125 HB3 GLU 15 HB1 GLU 15 -7.397 1.677 -3.758
126 HG2 GLU 15 HG2 GLU 15 -8.736 -0.212 -4.641
127 HG3 GLU 15 HG1 GLU 15 -9.879 0.038 -3.321
128 H VAL 16 HN VAL 16 -4.743 -0.379 -2.525
129 HA VAL 16 HA VAL 16 -4.075 1.367 -0.270
130 HB VAL 16 HB VAL 16 -2.349 -0.686 -1.665
131 HG11 VAL 16 HG11 VAL 16 -1.862 0.812 0.910
132 HG12 VAL 16 HG12 VAL 16 -1.092 1.175 -0.633
133 HG13 VAL 16 HG13 VAL 16 -0.790 -0.370 0.159
134 HG21 VAL 16 HG21 VAL 16 -2.668 -2.023 0.381
135 HG22 VAL 16 HG22 VAL 16 -4.183 -1.747 -0.476
136 HG23 VAL 16 HG23 VAL 16 -3.807 -0.817 0.974
137 H ARG 17 HN ARG 17 -3.242 3.285 -0.614
138 HA ARG 17 HA ARG 17 -2.050 3.873 -3.238
139 HB2 ARG 17 HB2 ARG 17 -3.140 5.781 -1.170
140 HB3 ARG 17 HB1 ARG 17 -2.480 6.233 -2.730
141 HG2 ARG 17 HG2 ARG 17 -4.287 4.972 -3.828
142 HG3 ARG 17 HG1 ARG 17 -4.967 4.615 -2.240
143 HD2 ARG 17 HD2 ARG 17 -6.123 6.499 -3.222
144 HD3 ARG 17 HD1 ARG 17 -5.196 7.029 -1.820
145 HE ARG 17 HE ARG 17 -3.623 7.366 -4.123
146 HH11 ARG 17 HH11 ARG 17 -6.490 8.685 -2.629
147 HH12 ARG 17 HH12 ARG 17 -6.298 10.253 -3.341
148 HH21 ARG 17 HH21 ARG 17 -3.361 9.416 -5.073
149 HH22 ARG 17 HH22 ARG 17 -4.507 10.673 -4.735
150 H CYS 18 HN CYS 18 -0.047 4.827 -3.367
151 HA CYS 18 HA CYS 18 1.515 4.727 -0.883
152 HB2 CYS 18 HB2 CYS 18 2.434 4.304 -3.730
153 HB3 CYS 18 HB1 CYS 18 3.466 4.244 -2.307
154 H ASP 19 HN ASP 19 2.603 6.484 -0.245
155 HA ASP 19 HA ASP 19 3.224 8.599 -2.165
156 HB2 ASP 19 HB2 ASP 19 1.074 9.236 -1.083
157 HB3 ASP 19 HB1 ASP 19 1.857 9.126 0.485
158 HA DPR 20 HA DPR 20 7.112 8.754 0.001
159 HB2 DPR 20 HB2 DPR 20 8.608 7.544 -1.210
160 HB3 DPR 20 HB1 DPR 20 7.688 6.046 -1.033
161 HG2 DPR 20 HG2 DPR 20 7.314 8.283 -2.979
162 HG3 DPR 20 HG1 DPR 20 7.220 6.534 -3.254
163 HD2 DPR 20 HD2 DPR 20 5.013 8.051 -3.001
164 HD3 DPR 20 HD1 DPR 20 5.076 6.390 -2.381
165 HA PRO 21 HA PRO 21 7.207 5.887 3.462
166 HB2 PRO 21 HB2 PRO 21 7.262 7.742 5.400
167 HB3 PRO 21 HB1 PRO 21 8.674 7.422 4.386
168 HG2 PRO 21 HG2 PRO 21 6.657 9.624 4.179
169 HG3 PRO 21 HG1 PRO 21 8.421 9.709 4.030
170 HD2 PRO 21 HD2 PRO 21 6.725 9.636 1.888
171 HD3 PRO 21 HD1 PRO 21 8.389 9.024 1.843
172 H ARG 22 HN ARG 22 4.730 7.793 2.352
173 HA ARG 22 HA ARG 22 2.963 7.212 4.633
174 HB2 ARG 22 HB2 ARG 22 2.572 9.123 2.328
175 HB3 ARG 22 HB1 ARG 22 1.476 8.913 3.684
176 HG2 ARG 22 HG2 ARG 22 3.127 9.792 5.208
177 HG3 ARG 22 HG1 ARG 22 4.313 9.891 3.905
178 HD2 ARG 22 HD2 ARG 22 3.278 12.070 4.398
179 HD3 ARG 22 HD1 ARG 22 2.968 11.530 2.748
180 HE ARG 22 HE ARG 22 1.000 11.387 4.948
181 HH11 ARG 22 HH11 ARG 22 1.779 11.722 1.542
182 HH12 ARG 22 HH12 ARG 22 0.129 11.999 1.076
183 HH21 ARG 22 HH21 ARG 22 -1.537 12.003 2.639
184 HH22 ARG 22 HH22 ARG 22 -1.168 11.729 4.312
185 H TYR 23 HN TYR 23 1.041 6.106 4.313
186 HA TYR 23 HA TYR 23 0.459 5.128 1.628
187 HB2 TYR 23 HB2 TYR 23 0.813 3.284 4.000
188 HB3 TYR 23 HB1 TYR 23 0.229 2.811 2.410
189 HD1 TYR 23 HD1 TYR 23 3.146 3.650 4.406
190 HD2 TYR 23 HD2 TYR 23 1.753 2.779 0.486
191 HE1 TYR 23 HE1 TYR 23 5.457 3.251 3.681
192 HE2 TYR 23 HE2 TYR 23 4.060 2.372 -0.249
193 HH TYR 23 HH TYR 23 6.336 2.987 0.401
194 H GLU 24 HN GLU 24 -1.656 4.839 1.232
195 HA GLU 24 HA GLU 24 -3.494 5.367 3.480
196 HB2 GLU 24 HB2 GLU 24 -3.860 6.076 0.563
197 HB3 GLU 24 HB1 GLU 24 -5.011 6.400 1.846
198 HG2 GLU 24 HG2 GLU 24 -2.234 7.548 1.723
199 HG3 GLU 24 HG1 GLU 24 -3.687 8.371 1.158
200 H VAL 25 HN VAL 25 -4.497 3.538 4.026
201 HA VAL 25 HA VAL 25 -5.047 1.541 1.957
202 HB VAL 25 HB VAL 25 -5.242 1.312 4.968
203 HG11 VAL 25 HG11 VAL 25 -5.535 -1.091 4.573
204 HG12 VAL 25 HG12 VAL 25 -5.554 -0.796 2.833
205 HG13 VAL 25 HG13 VAL 25 -6.842 -0.152 3.849
206 HG21 VAL 25 HG21 VAL 25 -3.267 -0.147 4.741
207 HG22 VAL 25 HG22 VAL 25 -2.941 1.505 4.212
208 HG23 VAL 25 HG23 VAL 25 -3.206 0.233 3.020
209 H HIS 26 HN HIS 26 -6.895 1.926 0.946
210 HA HIS 26 HA HIS 26 -9.139 3.053 2.459
211 HB2 HIS 26 HB2 HIS 26 -8.308 4.227 0.403
212 HB3 HIS 26 HB1 HIS 26 -8.806 2.830 -0.534
213 HD1 HIS 26 HD1 HIS 26 -10.231 5.669 1.480
214 HD2 HIS 26 HD2 HIS 26 -11.490 2.709 -1.141
215 HE1 HIS 26 HE1 HIS 26 -12.616 6.228 0.927
216 HE2 HIS 26 HE2 HIS 26 -13.332 4.474 -0.731
217 H CYS 27 HN CYS 27 -10.069 1.293 3.408
218 HA CYS 27 HA CYS 27 -10.823 -0.971 1.736
219 HB2 CYS 27 HB2 CYS 27 -11.100 -0.536 4.715
220 HB3 CYS 27 HB1 CYS 27 -11.541 -2.010 3.864
221 HN1 NH2 28 HN1 NH2 28 -12.529 0.824 4.279
222 HN2 NH2 28 HN2 NH2 28 -14.033 0.922 3.433
Start of MODEL 5
1 H1 ASN 1 HT1 ASN 1 12.218 -3.893 -0.242
2 H2 ASN 1 HT2 ASN 1 13.456 -2.908 0.342
3 H3 ASN 1 HT3 ASN 1 12.654 -2.498 -1.088
4 HA ASN 1 HA ASN 1 11.410 -2.619 1.594
5 HB2 ASN 1 HB2 ASN 1 13.085 -0.751 1.215
6 HB3 ASN 1 HB1 ASN 1 12.025 -0.162 -0.062
7 HD21 ASN 1 HD21 ASN 1 11.683 1.776 1.030
8 HD22 ASN 1 HD22 ASN 1 10.674 1.871 2.432
9 H ASP 2 HN ASP 2 10.157 -4.103 -0.098
10 HA ASP 2 HA ASP 2 8.438 -2.602 -1.877
11 HB2 ASP 2 HB2 ASP 2 7.559 -4.807 -2.545
12 HB3 ASP 2 HB1 ASP 2 9.311 -4.745 -2.653
13 H LYS 3 HN LYS 3 7.889 -1.601 0.449
14 HA LYS 3 HA LYS 3 6.021 -2.988 2.054
15 HB2 LYS 3 HB2 LYS 3 6.809 -0.104 1.818
16 HB3 LYS 3 HB1 LYS 3 5.488 -0.598 2.868
17 HG2 LYS 3 HG2 LYS 3 6.991 -2.048 4.109
18 HG3 LYS 3 HG1 LYS 3 8.320 -1.607 3.037
19 HD2 LYS 3 HD2 LYS 3 8.280 0.652 3.791
20 HD3 LYS 3 HD1 LYS 3 6.774 0.392 4.673
21 HE2 LYS 3 HE2 LYS 3 8.716 0.446 6.166
22 HE3 LYS 3 HE1 LYS 3 7.900 -1.113 6.202
23 HZ1 LYS 3 HZ1 LYS 3 10.282 -0.595 4.520
24 HZ2 LYS 3 HZ2 LYS 3 9.597 -2.088 4.926
25 HZ3 LYS 3 HZ3 LYS 3 10.389 -1.176 6.106
26 H CYS 4 HN CYS 4 5.655 -0.791 -0.684
27 HA CYS 4 HA CYS 4 2.869 -0.440 -0.461
28 HB2 CYS 4 HB2 CYS 4 4.245 0.963 -1.937
29 HB3 CYS 4 HB1 CYS 4 4.575 -0.427 -2.959
30 H LYS 5 HN LYS 5 4.821 -2.853 -2.127
31 HA LYS 5 HA LYS 5 2.629 -4.212 -3.315
32 HB2 LYS 5 HB2 LYS 5 5.453 -5.118 -2.739
33 HB3 LYS 5 HB1 LYS 5 4.290 -6.051 -3.671
34 HG2 LYS 5 HG2 LYS 5 4.163 -4.253 -5.317
35 HG3 LYS 5 HG1 LYS 5 5.328 -3.314 -4.387
36 HD2 LYS 5 HD2 LYS 5 7.006 -5.047 -4.719
37 HD3 LYS 5 HD1 LYS 5 5.835 -6.023 -5.608
38 HE2 LYS 5 HE2 LYS 5 6.858 -3.302 -6.408
39 HE3 LYS 5 HE1 LYS 5 7.325 -4.839 -7.131
40 HZ1 LYS 5 HZ1 LYS 5 4.599 -3.661 -7.164
41 HZ2 LYS 5 HZ2 LYS 5 5.027 -5.149 -7.843
42 HZ3 LYS 5 HZ3 LYS 5 5.670 -3.717 -8.472
43 H GLU 6 HN GLU 6 4.446 -4.617 -0.334
44 HA GLU 6 HA GLU 6 3.265 -7.026 0.513
45 HB2 GLU 6 HB2 GLU 6 5.322 -5.988 1.491
46 HB3 GLU 6 HB1 GLU 6 4.298 -4.778 2.253
47 HG2 GLU 6 HG2 GLU 6 4.787 -6.403 3.898
48 HG3 GLU 6 HG1 GLU 6 3.110 -6.654 3.416
49 H LEU 7 HN LEU 7 2.385 -3.639 1.076
50 HA LEU 7 HA LEU 7 0.197 -4.242 2.781
51 HB2 LEU 7 HB2 LEU 7 0.807 -1.763 1.184
52 HB3 LEU 7 HB1 LEU 7 -0.448 -1.881 2.400
53 HG LEU 7 HG LEU 7 2.515 -2.188 2.906
54 HD11 LEU 7 HD11 LEU 7 2.302 -0.062 4.094
55 HD12 LEU 7 HD12 LEU 7 0.617 0.050 3.586
56 HD13 LEU 7 HD13 LEU 7 1.907 0.102 2.383
57 HD21 LEU 7 HD21 LEU 7 1.898 -2.161 5.274
58 HD22 LEU 7 HD22 LEU 7 1.193 -3.543 4.440
59 HD23 LEU 7 HD23 LEU 7 0.195 -2.145 4.829
60 H LYS 8 HN LYS 8 0.496 -3.682 -0.694
61 HA LYS 8 HA LYS 8 -2.319 -3.773 -1.159
62 HB2 LYS 8 HB2 LYS 8 0.057 -4.026 -2.991
63 HB3 LYS 8 HB1 LYS 8 -1.592 -4.195 -3.575
64 HG2 LYS 8 HG2 LYS 8 -2.109 -1.947 -2.795
65 HG3 LYS 8 HG1 LYS 8 -0.464 -1.771 -2.188
66 HD2 LYS 8 HD2 LYS 8 -0.371 -0.680 -4.225
67 HD3 LYS 8 HD1 LYS 8 0.225 -2.288 -4.634
68 HE2 LYS 8 HE2 LYS 8 -2.660 -1.489 -4.948
69 HE3 LYS 8 HE1 LYS 8 -1.470 -1.251 -6.223
70 HZ1 LYS 8 HZ1 LYS 8 -2.637 -3.286 -6.590
71 HZ2 LYS 8 HZ2 LYS 8 -2.296 -3.841 -5.034
72 HZ3 LYS 8 HZ3 LYS 8 -1.047 -3.662 -6.158
73 H LYS 9 HN LYS 9 0.141 -6.183 -0.792
74 HA LYS 9 HA LYS 9 -1.457 -8.331 -1.841
75 HB2 LYS 9 HB2 LYS 9 0.990 -8.474 -1.814
76 HB3 LYS 9 HB1 LYS 9 0.994 -8.351 -0.062
77 HG2 LYS 9 HG2 LYS 9 -0.171 -10.489 0.096
78 HG3 LYS 9 HG1 LYS 9 -0.188 -10.607 -1.664
79 HD2 LYS 9 HD2 LYS 9 2.246 -10.620 -1.702
80 HD3 LYS 9 HD1 LYS 9 2.285 -10.451 0.052
81 HE2 LYS 9 HE2 LYS 9 2.671 -12.753 -0.535
82 HE3 LYS 9 HE1 LYS 9 1.106 -12.605 0.256
83 HZ1 LYS 9 HZ1 LYS 9 0.060 -12.647 -1.945
84 HZ2 LYS 9 HZ2 LYS 9 0.949 -14.051 -1.642
85 HZ3 LYS 9 HZ3 LYS 9 1.574 -12.864 -2.665
86 H ARG 10 HN ARG 10 -0.673 -7.047 1.336
87 HA ARG 10 HA ARG 10 -2.058 -8.961 2.875
88 HB2 ARG 10 HB2 ARG 10 -0.329 -7.479 3.784
89 HB3 ARG 10 HB1 ARG 10 -1.360 -6.089 3.500
90 HG2 ARG 10 HG2 ARG 10 -2.979 -6.963 5.113
91 HG3 ARG 10 HG1 ARG 10 -1.908 -8.341 5.418
92 HD2 ARG 10 HD2 ARG 10 -0.153 -6.818 6.163
93 HD3 ARG 10 HD1 ARG 10 -1.195 -5.437 5.839
94 HE ARG 10 HE ARG 10 -2.636 -6.930 7.605
95 HH11 ARG 10 HH11 ARG 10 0.674 -5.412 9.306
96 HH12 ARG 10 HH12 ARG 10 0.600 -5.590 7.584
97 HH21 ARG 10 HH21 ARG 10 -2.552 -6.688 9.864
98 HH22 ARG 10 HH22 ARG 10 -1.123 -6.049 10.614
99 H TYR 11 HN TYR 11 -2.972 -5.665 1.889
100 HA TYR 11 HA TYR 11 -5.655 -6.048 2.920
101 HB2 TYR 11 HB2 TYR 11 -4.323 -3.702 1.572
102 HB3 TYR 11 HB1 TYR 11 -5.980 -3.697 2.150
103 HD1 TYR 11 HD1 TYR 11 -6.411 -3.952 4.615
104 HD2 TYR 11 HD2 TYR 11 -2.522 -3.292 3.029
105 HE1 TYR 11 HE1 TYR 11 -5.625 -3.272 6.837
106 HE2 TYR 11 HE2 TYR 11 -1.726 -2.607 5.252
107 HH TYR 11 HH TYR 11 -2.699 -1.696 7.360
108 H AIB 12 HN AIB 12 -5.197 -7.842 0.920
109 HB11 AIB 12 HB11 AIB 12 -6.524 -9.665 -0.190
110 HB12 AIB 12 HB12 AIB 12 -5.046 -9.340 -1.097
111 HB13 AIB 12 HB13 AIB 12 -6.589 -9.474 -1.940
112 HB21 AIB 12 HB21 AIB 12 -6.248 -7.254 -2.967
113 HB22 AIB 12 HB22 AIB 12 -4.680 -7.252 -2.163
114 HB23 AIB 12 HB23 AIB 12 -5.778 -5.890 -1.950
115 H GLY 13 HN GLY 13 -7.681 -5.832 -2.056
116 HA2 GLY 13 HA2 GLY 13 -10.148 -6.148 -2.380
117 HA3 GLY 13 HA1 GLY 13 -10.180 -6.543 -0.671
118 H CYS 14 HN CYS 14 -8.024 -4.425 -0.314
119 HA CYS 14 HA CYS 14 -9.860 -2.138 -0.176
120 HB2 CYS 14 HB2 CYS 14 -7.192 -2.513 1.187
121 HB3 CYS 14 HB1 CYS 14 -8.353 -1.232 1.495
122 H GLU 15 HN GLU 15 -8.985 -0.013 -0.673
123 HA GLU 15 HA GLU 15 -7.171 -0.084 -2.950
124 HB2 GLU 15 HB2 GLU 15 -9.221 1.247 -3.147
125 HB3 GLU 15 HB1 GLU 15 -8.762 2.189 -1.736
126 HG2 GLU 15 HG2 GLU 15 -6.769 2.986 -2.974
127 HG3 GLU 15 HG1 GLU 15 -7.355 2.127 -4.397
128 H VAL 16 HN VAL 16 -5.093 -0.217 -2.324
129 HA VAL 16 HA VAL 16 -4.173 1.522 -0.143
130 HB VAL 16 HB VAL 16 -2.661 -0.710 -1.501
131 HG11 VAL 16 HG11 VAL 16 -1.197 0.962 -0.531
132 HG12 VAL 16 HG12 VAL 16 -1.142 -0.520 0.426
133 HG13 VAL 16 HG13 VAL 16 -2.068 0.866 1.000
134 HG21 VAL 16 HG21 VAL 16 -4.538 -1.654 -0.329
135 HG22 VAL 16 HG22 VAL 16 -4.163 -0.705 1.107
136 HG23 VAL 16 HG23 VAL 16 -3.062 -1.978 0.581
137 H ARG 17 HN ARG 17 -3.225 3.352 -0.652
138 HA ARG 17 HA ARG 17 -1.889 3.570 -3.266
139 HB2 ARG 17 HB2 ARG 17 -3.028 5.830 -1.621
140 HB3 ARG 17 HB1 ARG 17 -2.354 5.943 -3.239
141 HG2 ARG 17 HG2 ARG 17 -4.192 4.460 -4.031
142 HG3 ARG 17 HG1 ARG 17 -4.898 4.562 -2.419
143 HD2 ARG 17 HD2 ARG 17 -4.433 6.825 -4.356
144 HD3 ARG 17 HD1 ARG 17 -5.983 6.160 -3.846
145 HE ARG 17 HE ARG 17 -4.158 7.719 -2.125
146 HH11 ARG 17 HH11 ARG 17 -7.346 6.442 -2.834
147 HH12 ARG 17 HH12 ARG 17 -8.152 7.506 -1.721
148 HH21 ARG 17 HH21 ARG 17 -5.223 9.111 -0.646
149 HH22 ARG 17 HH22 ARG 17 -6.947 9.011 -0.470
150 H CYS 18 HN CYS 18 0.249 3.610 -3.119
151 HA CYS 18 HA CYS 18 1.453 4.375 -0.575
152 HB2 CYS 18 HB2 CYS 18 3.540 3.385 -1.690
153 HB3 CYS 18 HB1 CYS 18 2.255 2.280 -1.213
154 H ASP 19 HN ASP 19 2.322 6.294 -0.329
155 HA ASP 19 HA ASP 19 3.579 7.592 -2.644
156 HB2 ASP 19 HB2 ASP 19 1.355 8.643 -2.159
157 HB3 ASP 19 HB1 ASP 19 1.952 9.053 -0.553
158 HA DPR 20 HA DPR 20 6.985 8.593 -0.022
159 HB2 DPR 20 HB2 DPR 20 8.426 7.795 -1.581
160 HB3 DPR 20 HB1 DPR 20 8.541 6.400 -0.504
161 HG2 DPR 20 HG2 DPR 20 7.756 6.132 -3.051
162 HG3 DPR 20 HG1 DPR 20 7.070 5.141 -1.753
163 HD2 DPR 20 HD2 DPR 20 5.884 7.482 -3.174
164 HD3 DPR 20 HD1 DPR 20 5.097 6.014 -2.556
165 HA PRO 21 HA PRO 21 6.985 5.861 3.537
166 HB2 PRO 21 HB2 PRO 21 6.897 7.766 5.401
167 HB3 PRO 21 HB1 PRO 21 8.363 7.485 4.456
168 HG2 PRO 21 HG2 PRO 21 6.274 9.598 4.120
169 HG3 PRO 21 HG1 PRO 21 8.038 9.742 4.018
170 HD2 PRO 21 HD2 PRO 21 6.365 9.516 1.836
171 HD3 PRO 21 HD1 PRO 21 8.079 9.060 1.836
172 H ARG 22 HN ARG 22 4.519 7.752 2.246
173 HA ARG 22 HA ARG 22 2.686 7.221 4.477
174 HB2 ARG 22 HB2 ARG 22 2.346 8.953 2.027
175 HB3 ARG 22 HB1 ARG 22 1.114 8.708 3.255
176 HG2 ARG 22 HG2 ARG 22 2.795 9.635 4.916
177 HG3 ARG 22 HG1 ARG 22 3.740 10.132 3.511
178 HD2 ARG 22 HD2 ARG 22 2.336 11.962 4.276
179 HD3 ARG 22 HD1 ARG 22 1.827 11.414 2.679
180 HE ARG 22 HE ARG 22 0.432 10.423 5.070
181 HH11 ARG 22 HH11 ARG 22 0.387 12.217 2.061
182 HH12 ARG 22 HH12 ARG 22 -1.338 12.394 2.051
183 HH21 ARG 22 HH21 ARG 22 -2.603 11.504 3.750
184 HH22 ARG 22 HH22 ARG 22 -1.840 10.646 5.052
185 H TYR 23 HN TYR 23 0.877 5.990 4.258
186 HA TYR 23 HA TYR 23 0.367 4.760 1.655
187 HB2 TYR 23 HB2 TYR 23 0.566 3.214 4.243
188 HB3 TYR 23 HB1 TYR 23 0.114 2.556 2.674
189 HD1 TYR 23 HD1 TYR 23 2.850 3.536 4.831
190 HD2 TYR 23 HD2 TYR 23 1.800 2.456 0.855
191 HE1 TYR 23 HE1 TYR 23 5.213 3.092 4.334
192 HE2 TYR 23 HE2 TYR 23 4.163 2.007 0.349
193 HH TYR 23 HH TYR 23 6.369 2.646 1.157
194 H GLU 24 HN GLU 24 -1.653 5.043 1.135
195 HA GLU 24 HA GLU 24 -3.616 5.574 3.242
196 HB2 GLU 24 HB2 GLU 24 -3.439 6.282 0.341
197 HB3 GLU 24 HB1 GLU 24 -5.016 6.210 1.113
198 HG2 GLU 24 HG2 GLU 24 -2.719 7.886 2.091
199 HG3 GLU 24 HG1 GLU 24 -4.031 8.474 1.066
200 H VAL 25 HN VAL 25 -4.560 3.793 3.933
201 HA VAL 25 HA VAL 25 -5.283 1.709 2.000
202 HB VAL 25 HB VAL 25 -5.170 1.577 5.020
203 HG11 VAL 25 HG11 VAL 25 -5.540 -0.829 4.740
204 HG12 VAL 25 HG12 VAL 25 -5.733 -0.595 3.004
205 HG13 VAL 25 HG13 VAL 25 -6.898 0.111 4.122
206 HG21 VAL 25 HG21 VAL 25 -3.360 0.361 2.937
207 HG22 VAL 25 HG22 VAL 25 -3.248 0.098 4.677
208 HG23 VAL 25 HG23 VAL 25 -2.956 1.704 4.006
209 H HIS 26 HN HIS 26 -7.243 2.050 1.200
210 HA HIS 26 HA HIS 26 -9.357 2.948 3.042
211 HB2 HIS 26 HB2 HIS 26 -8.972 3.482 0.102
212 HB3 HIS 26 HB1 HIS 26 -10.499 3.769 0.918
213 HD1 HIS 26 HD1 HIS 26 -10.751 5.984 2.067
214 HD2 HIS 26 HD2 HIS 26 -6.795 5.110 1.158
215 HE1 HIS 26 HE1 HIS 26 -9.454 8.063 2.625
216 HE2 HIS 26 HE2 HIS 26 -7.039 7.438 2.274
217 H CYS 27 HN CYS 27 -10.295 1.097 3.681
218 HA CYS 27 HA CYS 27 -10.883 -0.984 1.737
219 HB2 CYS 27 HB2 CYS 27 -11.303 -0.888 4.727
220 HB3 CYS 27 HB1 CYS 27 -11.617 -2.286 3.706
221 HN1 NH2 28 HN1 NH2 28 -12.481 -0.068 0.514
222 HN2 NH2 28 HN2 NH2 28 -14.064 0.272 1.117
Start of MODEL 6
1 H1 ASN 1 HT1 ASN 1 10.809 -1.513 -2.292
2 H2 ASN 1 HT2 ASN 1 10.278 -0.514 -1.032
3 H3 ASN 1 HT3 ASN 1 10.701 0.160 -2.521
4 HA ASN 1 HA ASN 1 8.315 0.076 -2.254
5 HB2 ASN 1 HB2 ASN 1 9.463 -1.792 -4.337
6 HB3 ASN 1 HB1 ASN 1 7.804 -1.209 -4.352
7 HD21 ASN 1 HD21 ASN 1 8.081 -0.188 -6.325
8 HD22 ASN 1 HD22 ASN 1 9.000 1.269 -6.489
9 H ASP 2 HN ASP 2 9.765 -2.261 -0.652
10 HA ASP 2 HA ASP 2 8.135 -4.538 -1.001
11 HB2 ASP 2 HB2 ASP 2 10.314 -4.705 0.086
12 HB3 ASP 2 HB1 ASP 2 9.756 -3.681 1.403
13 H LYS 3 HN LYS 3 7.785 -1.657 0.955
14 HA LYS 3 HA LYS 3 5.801 -2.675 2.699
15 HB2 LYS 3 HB2 LYS 3 6.498 0.155 1.922
16 HB3 LYS 3 HB1 LYS 3 5.314 -0.251 3.156
17 HG2 LYS 3 HG2 LYS 3 7.061 -1.407 4.433
18 HG3 LYS 3 HG1 LYS 3 8.244 -0.950 3.208
19 HD2 LYS 3 HD2 LYS 3 7.828 1.407 3.666
20 HD3 LYS 3 HD1 LYS 3 6.612 0.968 4.867
21 HE2 LYS 3 HE2 LYS 3 8.356 -0.225 6.142
22 HE3 LYS 3 HE1 LYS 3 9.554 0.322 4.972
23 HZ1 LYS 3 HZ1 LYS 3 9.141 2.582 5.595
24 HZ2 LYS 3 HZ2 LYS 3 9.452 1.693 6.998
25 HZ3 LYS 3 HZ3 LYS 3 7.868 2.131 6.612
26 H CYS 4 HN CYS 4 5.592 -0.726 -0.267
27 HA CYS 4 HA CYS 4 2.789 -0.498 -0.298
28 HB2 CYS 4 HB2 CYS 4 4.266 0.887 -1.701
29 HB3 CYS 4 HB1 CYS 4 4.703 -0.534 -2.640
30 H LYS 5 HN LYS 5 4.981 -2.851 -1.715
31 HA LYS 5 HA LYS 5 3.118 -4.416 -3.094
32 HB2 LYS 5 HB2 LYS 5 5.468 -4.681 -3.502
33 HB3 LYS 5 HB1 LYS 5 5.769 -5.082 -1.821
34 HG2 LYS 5 HG2 LYS 5 4.251 -7.113 -2.246
35 HG3 LYS 5 HG1 LYS 5 4.503 -6.756 -3.956
36 HD2 LYS 5 HD2 LYS 5 6.109 -8.419 -3.147
37 HD3 LYS 5 HD1 LYS 5 6.922 -6.931 -3.641
38 HE2 LYS 5 HE2 LYS 5 7.100 -6.226 -1.333
39 HE3 LYS 5 HE1 LYS 5 6.182 -7.628 -0.801
40 HZ1 LYS 5 HZ1 LYS 5 8.589 -7.847 -0.487
41 HZ2 LYS 5 HZ2 LYS 5 8.812 -7.750 -2.163
42 HZ3 LYS 5 HZ3 LYS 5 7.957 -9.051 -1.498
43 H GLU 6 HN GLU 6 4.397 -4.712 0.206
44 HA GLU 6 HA GLU 6 2.987 -7.079 0.835
45 HB2 GLU 6 HB2 GLU 6 5.004 -6.312 2.045
46 HB3 GLU 6 HB1 GLU 6 4.079 -4.972 2.710
47 HG2 GLU 6 HG2 GLU 6 2.582 -6.606 3.808
48 HG3 GLU 6 HG1 GLU 6 3.616 -7.903 3.213
49 H LEU 7 HN LEU 7 2.246 -3.655 1.258
50 HA LEU 7 HA LEU 7 -0.070 -4.061 2.837
51 HB2 LEU 7 HB2 LEU 7 0.814 -1.755 1.116
52 HB3 LEU 7 HB1 LEU 7 -0.628 -1.717 2.112
53 HG LEU 7 HG LEU 7 2.134 -2.203 3.223
54 HD11 LEU 7 HD11 LEU 7 0.563 0.367 3.092
55 HD12 LEU 7 HD12 LEU 7 2.053 0.016 2.220
56 HD13 LEU 7 HD13 LEU 7 2.067 0.128 3.980
57 HD21 LEU 7 HD21 LEU 7 0.317 -3.037 4.615
58 HD22 LEU 7 HD22 LEU 7 -0.483 -1.467 4.530
59 HD23 LEU 7 HD23 LEU 7 1.069 -1.623 5.352
60 H LYS 8 HN LYS 8 0.411 -3.582 -0.648
61 HA LYS 8 HA LYS 8 -2.364 -3.694 -1.269
62 HB2 LYS 8 HB2 LYS 8 0.096 -4.061 -2.973
63 HB3 LYS 8 HB1 LYS 8 -1.534 -4.135 -3.625
64 HG2 LYS 8 HG2 LYS 8 -1.946 -1.850 -2.928
65 HG3 LYS 8 HG1 LYS 8 -0.345 -1.764 -2.195
66 HD2 LYS 8 HD2 LYS 8 -0.254 -0.682 -4.328
67 HD3 LYS 8 HD1 LYS 8 0.632 -2.202 -4.442
68 HE2 LYS 8 HE2 LYS 8 -1.367 -3.246 -5.461
69 HE3 LYS 8 HE1 LYS 8 -2.174 -1.680 -5.418
70 HZ1 LYS 8 HZ1 LYS 8 0.277 -2.361 -6.946
71 HZ2 LYS 8 HZ2 LYS 8 -0.386 -0.809 -6.848
72 HZ3 LYS 8 HZ3 LYS 8 -1.257 -2.059 -7.587
73 H LYS 9 HN LYS 9 0.146 -6.091 -0.923
74 HA LYS 9 HA LYS 9 -1.329 -8.278 -1.998
75 HB2 LYS 9 HB2 LYS 9 1.128 -8.270 -1.777
76 HB3 LYS 9 HB1 LYS 9 0.968 -8.233 -0.029
77 HG2 LYS 9 HG2 LYS 9 -0.182 -10.436 -0.155
78 HG3 LYS 9 HG1 LYS 9 0.190 -10.470 -1.881
79 HD2 LYS 9 HD2 LYS 9 2.584 -10.264 -1.343
80 HD3 LYS 9 HD1 LYS 9 2.186 -10.303 0.374
81 HE2 LYS 9 HE2 LYS 9 2.880 -12.494 -0.260
82 HE3 LYS 9 HE1 LYS 9 1.136 -12.539 -0.005
83 HZ1 LYS 9 HZ1 LYS 9 1.802 -13.735 -2.002
84 HZ2 LYS 9 HZ2 LYS 9 2.477 -12.324 -2.644
85 HZ3 LYS 9 HZ3 LYS 9 0.809 -12.420 -2.385
86 H ARG 10 HN ARG 10 -0.805 -7.001 1.244
87 HA ARG 10 HA ARG 10 -2.155 -9.040 2.651
88 HB2 ARG 10 HB2 ARG 10 -0.525 -7.371 3.608
89 HB3 ARG 10 HB1 ARG 10 -1.804 -6.170 3.521
90 HG2 ARG 10 HG2 ARG 10 -3.184 -7.705 4.963
91 HG3 ARG 10 HG1 ARG 10 -1.711 -8.649 5.210
92 HD2 ARG 10 HD2 ARG 10 -2.155 -5.752 5.925
93 HD3 ARG 10 HD1 ARG 10 -2.012 -7.103 7.045
94 HE ARG 10 HE ARG 10 0.324 -6.990 5.496
95 HH11 ARG 10 HH11 ARG 10 0.107 -4.442 8.597
96 HH12 ARG 10 HH12 ARG 10 -1.340 -5.172 7.979
97 HH21 ARG 10 HH21 ARG 10 2.251 -6.025 6.320
98 HH22 ARG 10 HH22 ARG 10 2.135 -4.930 7.663
99 H TYR 11 HN TYR 11 -3.178 -5.772 1.689
100 HA TYR 11 HA TYR 11 -5.881 -6.359 2.597
101 HB2 TYR 11 HB2 TYR 11 -4.681 -3.794 1.546
102 HB3 TYR 11 HB1 TYR 11 -6.298 -3.969 2.221
103 HD1 TYR 11 HD1 TYR 11 -6.513 -4.701 4.639
104 HD2 TYR 11 HD2 TYR 11 -2.837 -3.397 2.944
105 HE1 TYR 11 HE1 TYR 11 -5.625 -4.286 6.890
106 HE2 TYR 11 HE2 TYR 11 -1.944 -2.977 5.192
107 HH TYR 11 HH TYR 11 -2.854 -2.487 7.476
108 H AIB 12 HN AIB 12 -5.611 -7.995 0.668
109 HB11 AIB 12 HB11 AIB 12 -7.178 -9.586 -0.525
110 HB12 AIB 12 HB12 AIB 12 -5.573 -9.575 -1.255
111 HB13 AIB 12 HB13 AIB 12 -7.007 -9.461 -2.275
112 HB21 AIB 12 HB21 AIB 12 -6.117 -7.424 -3.294
113 HB22 AIB 12 HB22 AIB 12 -4.687 -7.590 -2.278
114 HB23 AIB 12 HB23 AIB 12 -5.592 -6.078 -2.281
115 H GLY 13 HN GLY 13 -7.484 -5.953 -2.870
116 HA2 GLY 13 HA2 GLY 13 -9.788 -5.701 -3.494
117 HA3 GLY 13 HA1 GLY 13 -10.238 -6.268 -1.894
118 H CYS 14 HN CYS 14 -7.982 -4.444 -0.850
119 HA CYS 14 HA CYS 14 -9.709 -2.099 -0.619
120 HB2 CYS 14 HB2 CYS 14 -7.175 -2.779 0.872
121 HB3 CYS 14 HB1 CYS 14 -8.266 -1.451 1.237
122 H GLU 15 HN GLU 15 -8.912 0.012 -0.925
123 HA GLU 15 HA GLU 15 -6.983 0.205 -3.080
124 HB2 GLU 15 HB2 GLU 15 -8.615 2.347 -1.710
125 HB3 GLU 15 HB1 GLU 15 -7.650 2.566 -3.160
126 HG2 GLU 15 HG2 GLU 15 -10.044 0.762 -2.908
127 HG3 GLU 15 HG1 GLU 15 -10.022 2.352 -3.667
128 H VAL 16 HN VAL 16 -4.913 0.151 -2.463
129 HA VAL 16 HA VAL 16 -4.145 1.546 -0.002
130 HB VAL 16 HB VAL 16 -2.525 -0.389 -1.665
131 HG11 VAL 16 HG11 VAL 16 -0.977 -0.393 0.228
132 HG12 VAL 16 HG12 VAL 16 -1.970 0.813 1.046
133 HG13 VAL 16 HG13 VAL 16 -1.141 1.224 -0.457
134 HG21 VAL 16 HG21 VAL 16 -4.028 -0.779 0.916
135 HG22 VAL 16 HG22 VAL 16 -2.864 -1.928 0.264
136 HG23 VAL 16 HG23 VAL 16 -4.342 -1.569 -0.628
137 H ARG 17 HN ARG 17 -3.572 3.575 -0.299
138 HA ARG 17 HA ARG 17 -2.381 4.487 -2.775
139 HB2 ARG 17 HB2 ARG 17 -2.867 5.948 -0.179
140 HB3 ARG 17 HB1 ARG 17 -2.276 6.687 -1.652
141 HG2 ARG 17 HG2 ARG 17 -4.379 6.142 -2.769
142 HG3 ARG 17 HG1 ARG 17 -4.974 5.405 -1.280
143 HD2 ARG 17 HD2 ARG 17 -4.753 7.539 -0.122
144 HD3 ARG 17 HD1 ARG 17 -4.120 8.281 -1.588
145 HE ARG 17 HE ARG 17 -6.572 7.249 -2.286
146 HH11 ARG 17 HH11 ARG 17 -5.383 9.528 0.106
147 HH12 ARG 17 HH12 ARG 17 -6.815 10.515 0.061
148 HH21 ARG 17 HH21 ARG 17 -8.461 8.541 -2.340
149 HH22 ARG 17 HH22 ARG 17 -8.568 9.950 -1.333
150 H CYS 18 HN CYS 18 -0.285 4.489 -3.174
151 HA CYS 18 HA CYS 18 1.581 4.296 -0.913
152 HB2 CYS 18 HB2 CYS 18 1.925 3.299 -3.745
153 HB3 CYS 18 HB1 CYS 18 3.130 3.182 -2.470
154 H ASP 19 HN ASP 19 2.398 6.263 -0.564
155 HA ASP 19 HA ASP 19 3.464 7.737 -2.867
156 HB2 ASP 19 HB2 ASP 19 1.817 8.874 -0.606
157 HB3 ASP 19 HB1 ASP 19 2.792 9.867 -1.684
158 HA DPR 20 HA DPR 20 7.150 8.264 -0.464
159 HB2 DPR 20 HB2 DPR 20 8.715 7.023 -1.526
160 HB3 DPR 20 HB1 DPR 20 7.902 5.508 -1.127
161 HG2 DPR 20 HG2 DPR 20 7.462 7.345 -3.432
162 HG3 DPR 20 HG1 DPR 20 7.432 5.573 -3.388
163 HD2 DPR 20 HD2 DPR 20 5.174 7.013 -3.468
164 HD3 DPR 20 HD1 DPR 20 5.276 5.511 -2.528
165 HA PRO 21 HA PRO 21 6.878 5.713 3.230
166 HB2 PRO 21 HB2 PRO 21 7.095 7.686 5.004
167 HB3 PRO 21 HB1 PRO 21 8.483 7.196 4.024
168 HG2 PRO 21 HG2 PRO 21 6.634 9.524 3.655
169 HG3 PRO 21 HG1 PRO 21 8.399 9.466 3.510
170 HD2 PRO 21 HD2 PRO 21 6.661 9.342 1.377
171 HD3 PRO 21 HD1 PRO 21 8.312 8.695 1.361
172 H ARG 22 HN ARG 22 4.630 7.720 1.832
173 HA ARG 22 HA ARG 22 2.793 7.670 4.121
174 HB2 ARG 22 HB2 ARG 22 2.598 9.088 1.462
175 HB3 ARG 22 HB1 ARG 22 1.384 9.167 2.729
176 HG2 ARG 22 HG2 ARG 22 2.894 10.302 4.197
177 HG3 ARG 22 HG1 ARG 22 4.236 10.062 3.076
178 HD2 ARG 22 HD2 ARG 22 1.751 11.667 2.490
179 HD3 ARG 22 HD1 ARG 22 3.300 12.347 2.986
180 HE ARG 22 HE ARG 22 3.999 10.934 0.820
181 HH11 ARG 22 HH11 ARG 22 1.356 13.170 1.342
182 HH12 ARG 22 HH12 ARG 22 1.351 13.744 -0.295
183 HH21 ARG 22 HH21 ARG 22 2.855 12.898 -1.823
184 HH22 ARG 22 HH22 ARG 22 4.001 11.690 -1.332
185 H TYR 23 HN TYR 23 1.180 6.250 4.221
186 HA TYR 23 HA TYR 23 0.327 4.917 1.755
187 HB2 TYR 23 HB2 TYR 23 0.932 3.498 4.354
188 HB3 TYR 23 HB1 TYR 23 0.300 2.754 2.891
189 HD1 TYR 23 HD1 TYR 23 3.227 3.674 4.693
190 HD2 TYR 23 HD2 TYR 23 1.748 2.873 0.789
191 HE1 TYR 23 HE1 TYR 23 5.523 3.305 3.907
192 HE2 TYR 23 HE2 TYR 23 4.037 2.502 -0.007
193 HH TYR 23 HH TYR 23 6.397 3.371 0.774
194 H GLU 24 HN GLU 24 -1.808 4.714 1.558
195 HA GLU 24 HA GLU 24 -3.447 5.032 3.992
196 HB2 GLU 24 HB2 GLU 24 -4.076 6.210 1.282
197 HB3 GLU 24 HB1 GLU 24 -5.116 6.280 2.694
198 HG2 GLU 24 HG2 GLU 24 -3.241 7.527 3.843
199 HG3 GLU 24 HG1 GLU 24 -2.490 7.659 2.253
200 H VAL 25 HN VAL 25 -4.252 3.062 4.305
201 HA VAL 25 HA VAL 25 -5.162 1.476 2.040
202 HB VAL 25 HB VAL 25 -5.212 0.844 4.996
203 HG11 VAL 25 HG11 VAL 25 -5.618 -1.472 4.281
204 HG12 VAL 25 HG12 VAL 25 -5.723 -0.926 2.609
205 HG13 VAL 25 HG13 VAL 25 -6.920 -0.390 3.786
206 HG21 VAL 25 HG21 VAL 25 -3.313 -0.079 2.843
207 HG22 VAL 25 HG22 VAL 25 -3.311 -0.622 4.520
208 HG23 VAL 25 HG23 VAL 25 -2.937 1.057 4.135
209 H HIS 26 HN HIS 26 -7.162 1.723 1.284
210 HA HIS 26 HA HIS 26 -9.254 2.579 3.176
211 HB2 HIS 26 HB2 HIS 26 -8.583 4.253 1.384
212 HB3 HIS 26 HB1 HIS 26 -9.259 3.134 0.213
213 HD1 HIS 26 HD1 HIS 26 -11.819 2.994 0.037
214 HD2 HIS 26 HD2 HIS 26 -10.464 5.582 2.991
215 HE1 HIS 26 HE1 HIS 26 -13.835 4.300 0.767
216 HE2 HIS 26 HE2 HIS 26 -12.945 5.997 2.398
217 H CYS 27 HN CYS 27 -10.263 0.723 3.674
218 HA CYS 27 HA CYS 27 -10.992 -1.125 1.533
219 HB2 CYS 27 HB2 CYS 27 -11.294 -1.375 4.534
220 HB3 CYS 27 HB1 CYS 27 -11.696 -2.623 3.362
221 HN1 NH2 28 HN1 NH2 28 -12.621 -0.087 0.495
222 HN2 NH2 28 HN2 NH2 28 -14.137 0.319 1.221
Start of MODEL 7
1 H1 ASN 1 HT1 ASN 1 11.289 -4.610 -0.345
2 H2 ASN 1 HT2 ASN 1 12.900 -4.126 -0.512
3 H3 ASN 1 HT3 ASN 1 11.969 -4.440 -1.886
4 HA ASN 1 HA ASN 1 11.478 -2.272 0.062
5 HB2 ASN 1 HB2 ASN 1 12.692 -2.230 -2.705
6 HB3 ASN 1 HB1 ASN 1 12.133 -0.788 -1.865
7 HD21 ASN 1 HD21 ASN 1 14.175 0.116 -1.846
8 HD22 ASN 1 HD22 ASN 1 15.438 -0.468 -0.816
9 H ASP 2 HN ASP 2 9.870 -4.458 -1.570
10 HA ASP 2 HA ASP 2 8.074 -2.717 -3.039
11 HB2 ASP 2 HB2 ASP 2 6.883 -4.815 -3.609
12 HB3 ASP 2 HB1 ASP 2 8.588 -4.882 -4.023
13 H LYS 3 HN LYS 3 7.971 -1.736 -0.678
14 HA LYS 3 HA LYS 3 6.438 -2.993 1.310
15 HB2 LYS 3 HB2 LYS 3 6.877 -0.051 0.788
16 HB3 LYS 3 HB1 LYS 3 6.169 -0.712 2.253
17 HG2 LYS 3 HG2 LYS 3 8.247 -1.883 2.745
18 HG3 LYS 3 HG1 LYS 3 8.960 -1.251 1.260
19 HD2 LYS 3 HD2 LYS 3 9.673 0.057 3.192
20 HD3 LYS 3 HD1 LYS 3 8.689 1.035 2.103
21 HE2 LYS 3 HE2 LYS 3 6.739 0.656 3.548
22 HE3 LYS 3 HE1 LYS 3 7.741 -0.300 4.637
23 HZ1 LYS 3 HZ1 LYS 3 9.069 1.646 5.088
24 HZ2 LYS 3 HZ2 LYS 3 7.446 1.969 5.423
25 HZ3 LYS 3 HZ3 LYS 3 8.153 2.571 4.008
26 H CYS 4 HN CYS 4 5.535 -0.752 -1.267
27 HA CYS 4 HA CYS 4 2.838 -0.456 -0.543
28 HB2 CYS 4 HB2 CYS 4 3.980 1.030 -2.136
29 HB3 CYS 4 HB1 CYS 4 4.103 -0.294 -3.285
30 H LYS 5 HN LYS 5 4.511 -2.819 -2.538
31 HA LYS 5 HA LYS 5 2.207 -4.145 -3.511
32 HB2 LYS 5 HB2 LYS 5 4.463 -4.350 -4.529
33 HB3 LYS 5 HB1 LYS 5 4.998 -5.237 -3.109
34 HG2 LYS 5 HG2 LYS 5 4.552 -6.828 -4.794
35 HG3 LYS 5 HG1 LYS 5 3.237 -6.941 -3.625
36 HD2 LYS 5 HD2 LYS 5 1.809 -5.607 -5.084
37 HD3 LYS 5 HD1 LYS 5 3.131 -5.439 -6.240
38 HE2 LYS 5 HE2 LYS 5 3.158 -7.902 -6.496
39 HE3 LYS 5 HE1 LYS 5 1.759 -7.995 -5.429
40 HZ1 LYS 5 HZ1 LYS 5 1.111 -8.063 -7.750
41 HZ2 LYS 5 HZ2 LYS 5 1.847 -6.568 -8.029
42 HZ3 LYS 5 HZ3 LYS 5 0.504 -6.669 -7.007
43 H GLU 6 HN GLU 6 4.313 -4.633 -0.726
44 HA GLU 6 HA GLU 6 3.148 -7.001 0.246
45 HB2 GLU 6 HB2 GLU 6 4.515 -4.759 1.751
46 HB3 GLU 6 HB1 GLU 6 4.093 -6.312 2.455
47 HG2 GLU 6 HG2 GLU 6 5.562 -7.408 0.784
48 HG3 GLU 6 HG1 GLU 6 6.060 -5.812 0.231
49 H LEU 7 HN LEU 7 2.429 -3.598 0.886
50 HA LEU 7 HA LEU 7 0.407 -4.111 2.803
51 HB2 LEU 7 HB2 LEU 7 0.877 -1.704 1.059
52 HB3 LEU 7 HB1 LEU 7 -0.247 -1.758 2.399
53 HG LEU 7 HG LEU 7 2.750 -2.070 2.594
54 HD11 LEU 7 HD11 LEU 7 2.049 0.217 2.108
55 HD12 LEU 7 HD12 LEU 7 2.677 0.074 3.749
56 HD13 LEU 7 HD13 LEU 7 0.938 0.172 3.478
57 HD21 LEU 7 HD21 LEU 7 1.663 -3.408 4.295
58 HD22 LEU 7 HD22 LEU 7 0.636 -2.049 4.746
59 HD23 LEU 7 HD23 LEU 7 2.372 -1.972 5.030
60 H LYS 8 HN LYS 8 0.360 -3.642 -0.692
61 HA LYS 8 HA LYS 8 -2.450 -3.672 -0.986
62 HB2 LYS 8 HB2 LYS 8 -0.199 -4.331 -2.868
63 HB3 LYS 8 HB1 LYS 8 -1.879 -4.488 -3.353
64 HG2 LYS 8 HG2 LYS 8 -2.246 -2.126 -2.931
65 HG3 LYS 8 HG1 LYS 8 -0.580 -1.949 -2.380
66 HD2 LYS 8 HD2 LYS 8 -0.852 -1.185 -4.685
67 HD3 LYS 8 HD1 LYS 8 0.229 -2.574 -4.589
68 HE2 LYS 8 HE2 LYS 8 -1.554 -4.048 -5.308
69 HE3 LYS 8 HE1 LYS 8 -2.695 -2.707 -5.310
70 HZ1 LYS 8 HZ1 LYS 8 -0.307 -2.938 -7.055
71 HZ2 LYS 8 HZ2 LYS 8 -1.422 -1.667 -7.068
72 HZ3 LYS 8 HZ3 LYS 8 -1.904 -3.219 -7.531
73 H LYS 9 HN LYS 9 -0.034 -6.218 -0.893
74 HA LYS 9 HA LYS 9 -1.800 -8.343 -1.534
75 HB2 LYS 9 HB2 LYS 9 0.674 -8.447 -1.756
76 HB3 LYS 9 HB1 LYS 9 0.808 -8.415 -0.003
77 HG2 LYS 9 HG2 LYS 9 -0.438 -10.538 0.106
78 HG3 LYS 9 HG1 LYS 9 -0.486 -10.573 -1.657
79 HD2 LYS 9 HD2 LYS 9 1.316 -11.977 -0.915
80 HD3 LYS 9 HD1 LYS 9 2.000 -10.535 -1.668
81 HE2 LYS 9 HE2 LYS 9 3.195 -11.109 0.379
82 HE3 LYS 9 HE1 LYS 9 2.378 -9.555 0.534
83 HZ1 LYS 9 HZ1 LYS 9 2.070 -10.866 2.514
84 HZ2 LYS 9 HZ2 LYS 9 1.426 -12.146 1.621
85 HZ3 LYS 9 HZ3 LYS 9 0.586 -10.686 1.727
86 H ARG 10 HN ARG 10 -0.720 -6.873 1.470
87 HA ARG 10 HA ARG 10 -1.906 -8.751 3.227
88 HB2 ARG 10 HB2 ARG 10 -0.097 -7.178 3.856
89 HB3 ARG 10 HB1 ARG 10 -1.234 -5.847 3.719
90 HG2 ARG 10 HG2 ARG 10 -2.533 -6.691 5.554
91 HG3 ARG 10 HG1 ARG 10 -1.530 -8.147 5.642
92 HD2 ARG 10 HD2 ARG 10 -0.616 -5.308 6.130
93 HD3 ARG 10 HD1 ARG 10 -0.890 -6.539 7.366
94 HE ARG 10 HE ARG 10 0.926 -7.699 5.718
95 HH11 ARG 10 HH11 ARG 10 2.559 -4.530 7.562
96 HH12 ARG 10 HH12 ARG 10 0.837 -4.626 7.396
97 HH21 ARG 10 HH21 ARG 10 3.197 -7.565 5.940
98 HH22 ARG 10 HH22 ARG 10 3.895 -6.201 6.754
99 H TYR 11 HN TYR 11 -2.967 -5.583 2.035
100 HA TYR 11 HA TYR 11 -5.552 -5.913 3.327
101 HB2 TYR 11 HB2 TYR 11 -4.387 -3.655 1.697
102 HB3 TYR 11 HB1 TYR 11 -5.991 -3.638 2.417
103 HD1 TYR 11 HD1 TYR 11 -6.197 -3.799 4.914
104 HD2 TYR 11 HD2 TYR 11 -2.488 -3.070 2.973
105 HE1 TYR 11 HE1 TYR 11 -5.276 -2.929 7.017
106 HE2 TYR 11 HE2 TYR 11 -1.553 -2.202 5.069
107 HH TYR 11 HH TYR 11 -2.527 -1.118 7.207
108 H AIB 12 HN AIB 12 -5.582 -7.898 1.783
109 HB11 AIB 12 HB11 AIB 12 -7.285 -9.880 -0.651
110 HB12 AIB 12 HB12 AIB 12 -7.290 -9.629 1.095
111 HB13 AIB 12 HB13 AIB 12 -5.763 -9.846 0.238
112 HB21 AIB 12 HB21 AIB 12 -6.411 -8.179 -2.150
113 HB22 AIB 12 HB22 AIB 12 -4.905 -8.135 -1.237
114 HB23 AIB 12 HB23 AIB 12 -5.806 -6.646 -1.520
115 H GLY 13 HN GLY 13 -7.766 -6.697 -2.003
116 HA2 GLY 13 HA2 GLY 13 -10.063 -6.402 -2.478
117 HA3 GLY 13 HA1 GLY 13 -10.428 -6.728 -0.794
118 H CYS 14 HN CYS 14 -8.016 -4.734 -0.349
119 HA CYS 14 HA CYS 14 -9.748 -2.358 -0.443
120 HB2 CYS 14 HB2 CYS 14 -7.302 -2.826 1.258
121 HB3 CYS 14 HB1 CYS 14 -8.413 -1.470 1.374
122 H GLU 15 HN GLU 15 -8.844 -0.353 -1.061
123 HA GLU 15 HA GLU 15 -6.741 -0.573 -3.049
124 HB2 GLU 15 HB2 GLU 15 -8.289 1.859 -2.146
125 HB3 GLU 15 HB1 GLU 15 -7.269 1.748 -3.568
126 HG2 GLU 15 HG2 GLU 15 -8.792 0.196 -4.597
127 HG3 GLU 15 HG1 GLU 15 -9.780 0.150 -3.137
128 H VAL 16 HN VAL 16 -4.661 -0.184 -2.596
129 HA VAL 16 HA VAL 16 -4.079 1.357 -0.164
130 HB VAL 16 HB VAL 16 -2.314 -0.683 -1.521
131 HG11 VAL 16 HG11 VAL 16 -1.933 0.817 1.070
132 HG12 VAL 16 HG12 VAL 16 -1.053 1.114 -0.431
133 HG13 VAL 16 HG13 VAL 16 -0.860 -0.421 0.418
134 HG21 VAL 16 HG21 VAL 16 -4.168 -1.777 -0.441
135 HG22 VAL 16 HG22 VAL 16 -3.928 -0.822 1.022
136 HG23 VAL 16 HG23 VAL 16 -2.720 -2.012 0.539
137 H ARG 17 HN ARG 17 -3.345 3.289 -0.471
138 HA ARG 17 HA ARG 17 -2.089 3.989 -3.029
139 HB2 ARG 17 HB2 ARG 17 -4.089 5.273 -2.325
140 HB3 ARG 17 HB1 ARG 17 -3.234 5.770 -0.874
141 HG2 ARG 17 HG2 ARG 17 -1.576 6.927 -2.261
142 HG3 ARG 17 HG1 ARG 17 -2.484 6.465 -3.704
143 HD2 ARG 17 HD2 ARG 17 -3.492 8.169 -1.427
144 HD3 ARG 17 HD1 ARG 17 -3.034 8.741 -3.030
145 HE ARG 17 HE ARG 17 -4.913 7.264 -3.851
146 HH11 ARG 17 HH11 ARG 17 -4.943 8.687 -0.632
147 HH12 ARG 17 HH12 ARG 17 -6.680 8.663 -0.524
148 HH21 ARG 17 HH21 ARG 17 -7.181 7.240 -3.682
149 HH22 ARG 17 HH22 ARG 17 -7.945 7.838 -2.244
150 H CYS 18 HN CYS 18 0.052 4.030 -3.020
151 HA CYS 18 HA CYS 18 1.431 4.562 -0.495
152 HB2 CYS 18 HB2 CYS 18 3.419 3.598 -1.893
153 HB3 CYS 18 HB1 CYS 18 2.223 2.513 -1.195
154 H ASP 19 HN ASP 19 2.333 6.477 -0.233
155 HA ASP 19 HA ASP 19 3.552 7.776 -2.564
156 HB2 ASP 19 HB2 ASP 19 1.396 8.915 -1.964
157 HB3 ASP 19 HB1 ASP 19 2.086 9.270 -0.383
158 HA DPR 20 HA DPR 20 7.098 8.656 -0.016
159 HB2 DPR 20 HB2 DPR 20 8.823 7.691 -1.142
160 HB3 DPR 20 HB1 DPR 20 8.083 6.088 -1.089
161 HG2 DPR 20 HG2 DPR 20 7.625 8.329 -3.010
162 HG3 DPR 20 HG1 DPR 20 7.739 6.589 -3.325
163 HD2 DPR 20 HD2 DPR 20 5.375 7.867 -3.232
164 HD3 DPR 20 HD1 DPR 20 5.557 6.196 -2.660
165 HA PRO 21 HA PRO 21 7.208 5.475 3.175
166 HB2 PRO 21 HB2 PRO 21 7.578 7.108 5.244
167 HB3 PRO 21 HB1 PRO 21 8.879 6.809 4.084
168 HG2 PRO 21 HG2 PRO 21 7.023 9.150 4.288
169 HG3 PRO 21 HG1 PRO 21 8.767 9.133 3.978
170 HD2 PRO 21 HD2 PRO 21 6.840 9.366 2.019
171 HD3 PRO 21 HD1 PRO 21 8.480 8.751 1.742
172 H ARG 22 HN ARG 22 4.781 7.552 2.317
173 HA ARG 22 HA ARG 22 3.199 6.923 4.726
174 HB2 ARG 22 HB2 ARG 22 2.842 9.230 2.808
175 HB3 ARG 22 HB1 ARG 22 1.831 8.898 4.208
176 HG2 ARG 22 HG2 ARG 22 3.795 9.199 5.664
177 HG3 ARG 22 HG1 ARG 22 4.760 9.601 4.243
178 HD2 ARG 22 HD2 ARG 22 3.189 11.478 3.796
179 HD3 ARG 22 HD1 ARG 22 2.387 11.111 5.323
180 HE ARG 22 HE ARG 22 5.144 11.450 5.773
181 HH11 ARG 22 HH11 ARG 22 2.283 13.301 4.994
182 HH12 ARG 22 HH12 ARG 22 2.903 14.779 5.654
183 HH21 ARG 22 HH21 ARG 22 4.998 14.830 6.605
184 HH22 ARG 22 HH22 ARG 22 5.966 13.391 6.650
185 H TYR 23 HN TYR 23 1.196 6.016 4.497
186 HA TYR 23 HA TYR 23 0.410 5.256 1.772
187 HB2 TYR 23 HB2 TYR 23 0.496 3.318 4.086
188 HB3 TYR 23 HB1 TYR 23 0.104 2.956 2.412
189 HD1 TYR 23 HD1 TYR 23 2.790 3.663 4.779
190 HD2 TYR 23 HD2 TYR 23 1.843 2.781 0.732
191 HE1 TYR 23 HE1 TYR 23 5.154 3.147 4.343
192 HE2 TYR 23 HE2 TYR 23 4.197 2.258 0.285
193 HH TYR 23 HH TYR 23 6.483 1.826 2.751
194 H GLU 24 HN GLU 24 -1.779 4.688 1.522
195 HA GLU 24 HA GLU 24 -3.532 5.245 3.822
196 HB2 GLU 24 HB2 GLU 24 -4.002 6.172 0.979
197 HB3 GLU 24 HB1 GLU 24 -5.127 6.365 2.314
198 HG2 GLU 24 HG2 GLU 24 -3.509 7.804 3.459
199 HG3 GLU 24 HG1 GLU 24 -2.399 7.620 2.100
200 H VAL 25 HN VAL 25 -5.180 3.818 4.069
201 HA VAL 25 HA VAL 25 -5.455 1.761 1.980
202 HB VAL 25 HB VAL 25 -5.855 1.449 4.961
203 HG11 VAL 25 HG11 VAL 25 -6.047 -0.593 2.749
204 HG12 VAL 25 HG12 VAL 25 -7.395 0.053 3.685
205 HG13 VAL 25 HG13 VAL 25 -6.165 -0.930 4.477
206 HG21 VAL 25 HG21 VAL 25 -3.889 -0.021 4.851
207 HG22 VAL 25 HG22 VAL 25 -3.501 1.628 4.357
208 HG23 VAL 25 HG23 VAL 25 -3.704 0.369 3.141
209 H HIS 26 HN HIS 26 -7.339 1.730 1.004
210 HA HIS 26 HA HIS 26 -9.677 2.878 2.377
211 HB2 HIS 26 HB2 HIS 26 -8.865 4.326 0.561
212 HB3 HIS 26 HB1 HIS 26 -8.980 2.987 -0.562
213 HD1 HIS 26 HD1 HIS 26 -11.015 3.028 -1.959
214 HD2 HIS 26 HD2 HIS 26 -11.616 4.888 1.720
215 HE1 HIS 26 HE1 HIS 26 -13.364 3.916 -2.015
216 HE2 HIS 26 HE2 HIS 26 -13.757 4.878 0.275
217 H CYS 27 HN CYS 27 -10.592 0.990 3.089
218 HA CYS 27 HA CYS 27 -11.040 -1.180 1.210
219 HB2 CYS 27 HB2 CYS 27 -11.831 -0.887 4.115
220 HB3 CYS 27 HB1 CYS 27 -12.048 -2.338 3.144
221 HN1 NH2 28 HN1 NH2 28 -12.454 -0.342 -0.259
222 HN2 NH2 28 HN2 NH2 28 -14.082 0.096 0.125
Start of MODEL 8
1 H1 ASN 1 HT1 ASN 1 10.984 -0.138 -0.470
2 H2 ASN 1 HT2 ASN 1 11.222 1.388 -1.151
3 H3 ASN 1 HT3 ASN 1 10.947 0.052 -2.150
4 HA ASN 1 HA ASN 1 9.013 1.140 -0.199
5 HB2 ASN 1 HB2 ASN 1 9.153 1.443 -3.204
6 HB3 ASN 1 HB1 ASN 1 7.751 1.874 -2.231
7 HD21 ASN 1 HD21 ASN 1 9.395 3.557 -3.914
8 HD22 ASN 1 HD22 ASN 1 10.032 4.796 -2.891
9 H ASP 2 HN ASP 2 9.990 -1.636 -0.699
10 HA ASP 2 HA ASP 2 8.032 -3.050 -2.183
11 HB2 ASP 2 HB2 ASP 2 9.948 -3.943 -0.030
12 HB3 ASP 2 HB1 ASP 2 8.862 -5.049 -0.856
13 H LYS 3 HN LYS 3 8.018 -1.658 0.948
14 HA LYS 3 HA LYS 3 6.102 -3.243 2.229
15 HB2 LYS 3 HB2 LYS 3 6.741 -0.308 2.495
16 HB3 LYS 3 HB1 LYS 3 5.559 -1.120 3.512
17 HG2 LYS 3 HG2 LYS 3 7.332 -2.673 4.261
18 HG3 LYS 3 HG1 LYS 3 8.499 -1.743 3.324
19 HD2 LYS 3 HD2 LYS 3 7.983 0.247 4.646
20 HD3 LYS 3 HD1 LYS 3 6.801 -0.676 5.577
21 HE2 LYS 3 HE2 LYS 3 8.596 -2.173 6.334
22 HE3 LYS 3 HE1 LYS 3 9.766 -1.209 5.436
23 HZ1 LYS 3 HZ1 LYS 3 9.201 0.693 6.817
24 HZ2 LYS 3 HZ2 LYS 3 9.735 -0.599 7.765
25 HZ3 LYS 3 HZ3 LYS 3 8.087 -0.240 7.682
26 H CYS 4 HN CYS 4 5.797 -0.785 -0.230
27 HA CYS 4 HA CYS 4 3.036 -0.329 -0.081
28 HB2 CYS 4 HB2 CYS 4 4.409 1.056 -1.513
29 HB3 CYS 4 HB1 CYS 4 4.884 -0.338 -2.474
30 H LYS 5 HN LYS 5 4.903 -2.785 -1.799
31 HA LYS 5 HA LYS 5 2.651 -3.985 -3.045
32 HB2 LYS 5 HB2 LYS 5 5.511 -4.804 -2.656
33 HB3 LYS 5 HB1 LYS 5 4.342 -5.950 -3.289
34 HG2 LYS 5 HG2 LYS 5 5.544 -4.908 -5.093
35 HG3 LYS 5 HG1 LYS 5 3.855 -4.414 -5.142
36 HD2 LYS 5 HD2 LYS 5 4.448 -2.283 -4.107
37 HD3 LYS 5 HD1 LYS 5 6.137 -2.789 -4.015
38 HE2 LYS 5 HE2 LYS 5 5.767 -1.320 -5.926
39 HE3 LYS 5 HE1 LYS 5 6.234 -2.935 -6.450
40 HZ1 LYS 5 HZ1 LYS 5 4.415 -2.054 -7.774
41 HZ2 LYS 5 HZ2 LYS 5 3.457 -1.882 -6.393
42 HZ3 LYS 5 HZ3 LYS 5 3.916 -3.421 -6.915
43 H GLU 6 HN GLU 6 4.497 -4.640 -0.114
44 HA GLU 6 HA GLU 6 3.218 -7.038 0.603
45 HB2 GLU 6 HB2 GLU 6 4.538 -4.901 2.274
46 HB3 GLU 6 HB1 GLU 6 3.928 -6.404 2.953
47 HG2 GLU 6 HG2 GLU 6 6.048 -6.177 0.826
48 HG3 GLU 6 HG1 GLU 6 6.334 -6.486 2.536
49 H LEU 7 HN LEU 7 2.457 -3.666 1.398
50 HA LEU 7 HA LEU 7 0.226 -4.296 3.041
51 HB2 LEU 7 HB2 LEU 7 0.944 -1.753 1.586
52 HB3 LEU 7 HB1 LEU 7 -0.331 -1.890 2.777
53 HG LEU 7 HG LEU 7 2.593 -2.396 3.342
54 HD11 LEU 7 HD11 LEU 7 2.548 -0.254 4.519
55 HD12 LEU 7 HD12 LEU 7 0.892 0.012 3.974
56 HD13 LEU 7 HD13 LEU 7 2.207 -0.053 2.799
57 HD21 LEU 7 HD21 LEU 7 0.234 -2.119 5.205
58 HD22 LEU 7 HD22 LEU 7 1.916 -2.332 5.687
59 HD23 LEU 7 HD23 LEU 7 1.077 -3.621 4.826
60 H LYS 8 HN LYS 8 0.586 -3.400 -0.356
61 HA LYS 8 HA LYS 8 -2.201 -3.257 -0.883
62 HB2 LYS 8 HB2 LYS 8 -0.245 -2.236 -2.212
63 HB3 LYS 8 HB1 LYS 8 -0.096 -3.819 -2.956
64 HG2 LYS 8 HG2 LYS 8 -2.363 -3.663 -3.806
65 HG3 LYS 8 HG1 LYS 8 -2.572 -2.108 -2.999
66 HD2 LYS 8 HD2 LYS 8 -0.520 -2.680 -5.134
67 HD3 LYS 8 HD1 LYS 8 -2.074 -1.898 -5.419
68 HE2 LYS 8 HE2 LYS 8 -1.433 -0.084 -3.899
69 HE3 LYS 8 HE1 LYS 8 0.122 -0.866 -3.622
70 HZ1 LYS 8 HZ1 LYS 8 0.664 -0.579 -5.944
71 HZ2 LYS 8 HZ2 LYS 8 0.260 0.917 -5.272
72 HZ3 LYS 8 HZ3 LYS 8 -0.849 0.106 -6.254
73 H LYS 9 HN LYS 9 0.087 -5.856 -0.760
74 HA LYS 9 HA LYS 9 -1.645 -7.744 -2.076
75 HB2 LYS 9 HB2 LYS 9 0.818 -7.956 -2.134
76 HB3 LYS 9 HB1 LYS 9 0.828 -8.201 -0.394
77 HG2 LYS 9 HG2 LYS 9 -0.453 -10.258 -0.670
78 HG3 LYS 9 HG1 LYS 9 -0.476 -10.010 -2.416
79 HD2 LYS 9 HD2 LYS 9 1.993 -10.379 -0.725
80 HD3 LYS 9 HD1 LYS 9 1.253 -11.614 -1.742
81 HE2 LYS 9 HE2 LYS 9 2.436 -9.002 -2.687
82 HE3 LYS 9 HE1 LYS 9 3.173 -10.593 -2.850
83 HZ1 LYS 9 HZ1 LYS 9 0.641 -9.702 -4.120
84 HZ2 LYS 9 HZ2 LYS 9 1.294 -11.256 -4.243
85 HZ3 LYS 9 HZ3 LYS 9 2.123 -9.935 -4.898
86 H ARG 10 HN ARG 10 -0.716 -6.983 1.255
87 HA ARG 10 HA ARG 10 -2.156 -9.079 2.484
88 HB2 ARG 10 HB2 ARG 10 -0.382 -7.851 3.642
89 HB3 ARG 10 HB1 ARG 10 -1.352 -6.387 3.601
90 HG2 ARG 10 HG2 ARG 10 -3.021 -7.427 5.030
91 HG3 ARG 10 HG1 ARG 10 -2.079 -8.921 5.055
92 HD2 ARG 10 HD2 ARG 10 -1.172 -6.238 6.093
93 HD3 ARG 10 HD1 ARG 10 -1.725 -7.591 7.081
94 HE ARG 10 HE ARG 10 0.501 -8.205 5.340
95 HH11 ARG 10 HH11 ARG 10 1.036 -7.469 9.248
96 HH12 ARG 10 HH12 ARG 10 -0.461 -7.026 8.494
97 HH21 ARG 10 HH21 ARG 10 2.476 -8.758 6.331
98 HH22 ARG 10 HH22 ARG 10 2.697 -8.464 8.027
99 H TYR 11 HN TYR 11 -2.982 -5.706 1.810
100 HA TYR 11 HA TYR 11 -5.665 -6.078 2.855
101 HB2 TYR 11 HB2 TYR 11 -4.256 -3.684 1.680
102 HB3 TYR 11 HB1 TYR 11 -5.924 -3.664 2.240
103 HD1 TYR 11 HD1 TYR 11 -6.405 -4.064 4.669
104 HD2 TYR 11 HD2 TYR 11 -2.453 -3.515 3.197
105 HE1 TYR 11 HE1 TYR 11 -5.633 -3.566 6.944
106 HE2 TYR 11 HE2 TYR 11 -1.669 -3.021 5.474
107 HH TYR 11 HH TYR 11 -2.580 -2.217 7.601
108 H AIB 12 HN AIB 12 -5.104 -7.726 0.712
109 HB11 AIB 12 HB11 AIB 12 -6.676 -9.271 -2.104
110 HB12 AIB 12 HB12 AIB 12 -6.597 -9.483 -0.354
111 HB13 AIB 12 HB13 AIB 12 -5.118 -9.230 -1.281
112 HB21 AIB 12 HB21 AIB 12 -4.564 -7.012 -2.168
113 HB22 AIB 12 HB22 AIB 12 -5.784 -5.739 -2.155
114 HB23 AIB 12 HB23 AIB 12 -6.035 -7.195 -3.118
115 H GLY 13 HN GLY 13 -7.738 -6.251 -2.752
116 HA2 GLY 13 HA2 GLY 13 -10.100 -6.176 -2.959
117 HA3 GLY 13 HA1 GLY 13 -10.235 -6.636 -1.270
118 H CYS 14 HN CYS 14 -8.035 -4.556 -0.751
119 HA CYS 14 HA CYS 14 -9.851 -2.244 -0.641
120 HB2 CYS 14 HB2 CYS 14 -7.339 -2.766 0.958
121 HB3 CYS 14 HB1 CYS 14 -8.477 -1.446 1.202
122 H GLU 15 HN GLU 15 -8.880 -0.122 -0.964
123 HA GLU 15 HA GLU 15 -6.840 -0.203 -3.054
124 HB2 GLU 15 HB2 GLU 15 -8.577 2.093 -2.135
125 HB3 GLU 15 HB1 GLU 15 -7.474 2.127 -3.501
126 HG2 GLU 15 HG2 GLU 15 -8.831 0.293 -4.530
127 HG3 GLU 15 HG1 GLU 15 -9.989 0.508 -3.220
128 H VAL 16 HN VAL 16 -4.845 -0.108 -2.332
129 HA VAL 16 HA VAL 16 -4.242 1.515 0.032
130 HB VAL 16 HB VAL 16 -2.471 -0.484 -1.387
131 HG11 VAL 16 HG11 VAL 16 -1.088 -0.317 0.666
132 HG12 VAL 16 HG12 VAL 16 -2.124 1.000 1.217
133 HG13 VAL 16 HG13 VAL 16 -1.161 1.190 -0.249
134 HG21 VAL 16 HG21 VAL 16 -4.238 -1.716 -0.406
135 HG22 VAL 16 HG22 VAL 16 -4.203 -0.736 1.055
136 HG23 VAL 16 HG23 VAL 16 -2.875 -1.842 0.709
137 H ARG 17 HN ARG 17 -3.610 3.509 -0.356
138 HA ARG 17 HA ARG 17 -2.414 4.188 -2.920
139 HB2 ARG 17 HB2 ARG 17 -3.131 5.978 -0.598
140 HB3 ARG 17 HB1 ARG 17 -2.587 6.517 -2.176
141 HG2 ARG 17 HG2 ARG 17 -4.615 5.349 -3.129
142 HG3 ARG 17 HG1 ARG 17 -5.180 5.182 -1.467
143 HD2 ARG 17 HD2 ARG 17 -6.157 7.152 -2.485
144 HD3 ARG 17 HD1 ARG 17 -5.045 7.624 -1.198
145 HE ARG 17 HE ARG 17 -3.722 7.571 -3.712
146 HH11 ARG 17 HH11 ARG 17 -5.979 9.468 -1.831
147 HH12 ARG 17 HH12 ARG 17 -5.527 10.973 -2.570
148 HH21 ARG 17 HH21 ARG 17 -3.139 9.525 -4.705
149 HH22 ARG 17 HH22 ARG 17 -3.905 11.006 -4.218
150 H CYS 18 HN CYS 18 -0.323 4.447 -3.230
151 HA CYS 18 HA CYS 18 1.426 4.439 -0.875
152 HB2 CYS 18 HB2 CYS 18 1.925 3.375 -3.656
153 HB3 CYS 18 HB1 CYS 18 3.123 3.412 -2.370
154 H ASP 19 HN ASP 19 2.250 6.376 -0.507
155 HA ASP 19 HA ASP 19 3.404 7.834 -2.783
156 HB2 ASP 19 HB2 ASP 19 1.308 8.950 -1.996
157 HB3 ASP 19 HB1 ASP 19 2.052 9.137 -0.411
158 HA DPR 20 HA DPR 20 7.102 8.203 -0.388
159 HB2 DPR 20 HB2 DPR 20 8.308 7.340 -2.114
160 HB3 DPR 20 HB1 DPR 20 8.344 5.882 -1.116
161 HG2 DPR 20 HG2 DPR 20 7.329 5.839 -3.592
162 HG3 DPR 20 HG1 DPR 20 6.625 4.875 -2.281
163 HD2 DPR 20 HD2 DPR 20 5.643 7.416 -3.502
164 HD3 DPR 20 HD1 DPR 20 4.724 6.023 -2.891
165 HA PRO 21 HA PRO 21 6.947 5.257 3.007
166 HB2 PRO 21 HB2 PRO 21 7.315 7.016 4.977
167 HB3 PRO 21 HB1 PRO 21 8.637 6.583 3.888
168 HG2 PRO 21 HG2 PRO 21 6.906 9.018 3.887
169 HG3 PRO 21 HG1 PRO 21 8.649 8.882 3.597
170 HD2 PRO 21 HD2 PRO 21 6.720 9.071 1.614
171 HD3 PRO 21 HD1 PRO 21 8.351 8.417 1.385
172 H ARG 22 HN ARG 22 4.702 7.483 1.965
173 HA ARG 22 HA ARG 22 2.950 7.140 4.291
174 HB2 ARG 22 HB2 ARG 22 2.636 8.901 1.855
175 HB3 ARG 22 HB1 ARG 22 1.486 8.802 3.181
176 HG2 ARG 22 HG2 ARG 22 3.272 9.595 4.713
177 HG3 ARG 22 HG1 ARG 22 4.312 9.830 3.307
178 HD2 ARG 22 HD2 ARG 22 1.658 11.174 3.820
179 HD3 ARG 22 HD1 ARG 22 3.248 11.923 3.955
180 HE ARG 22 HE ARG 22 3.123 10.988 1.380
181 HH11 ARG 22 HH11 ARG 22 1.177 13.168 3.318
182 HH12 ARG 22 HH12 ARG 22 0.685 14.124 1.957
183 HH21 ARG 22 HH21 ARG 22 1.413 13.598 -0.148
184 HH22 ARG 22 HH22 ARG 22 2.468 12.233 -0.397
185 H TYR 23 HN TYR 23 1.188 5.886 4.235
186 HA TYR 23 HA TYR 23 0.319 4.806 1.656
187 HB2 TYR 23 HB2 TYR 23 0.743 3.086 4.104
188 HB3 TYR 23 HB1 TYR 23 0.218 2.551 2.512
189 HD1 TYR 23 HD1 TYR 23 3.006 3.123 4.644
190 HD2 TYR 23 HD2 TYR 23 1.847 2.876 0.562
191 HE1 TYR 23 HE1 TYR 23 5.338 2.704 4.009
192 HE2 TYR 23 HE2 TYR 23 4.180 2.467 -0.084
193 HH TYR 23 HH TYR 23 6.523 1.538 2.058
194 H GLU 24 HN GLU 24 -1.826 4.695 1.440
195 HA GLU 24 HA GLU 24 -3.449 5.172 3.858
196 HB2 GLU 24 HB2 GLU 24 -4.068 6.248 1.103
197 HB3 GLU 24 HB1 GLU 24 -4.924 6.600 2.593
198 HG2 GLU 24 HG2 GLU 24 -2.882 7.696 3.457
199 HG3 GLU 24 HG1 GLU 24 -2.120 7.432 1.890
200 H VAL 25 HN VAL 25 -4.345 3.247 4.235
201 HA VAL 25 HA VAL 25 -5.264 1.569 2.054
202 HB VAL 25 HB VAL 25 -5.396 1.143 5.045
203 HG11 VAL 25 HG11 VAL 25 -5.950 -0.779 2.786
204 HG12 VAL 25 HG12 VAL 25 -7.145 -0.102 3.891
205 HG13 VAL 25 HG13 VAL 25 -5.900 -1.194 4.498
206 HG21 VAL 25 HG21 VAL 25 -3.105 1.205 4.178
207 HG22 VAL 25 HG22 VAL 25 -3.523 -0.030 2.992
208 HG23 VAL 25 HG23 VAL 25 -3.549 -0.415 4.712
209 H HIS 26 HN HIS 26 -7.240 1.710 1.236
210 HA HIS 26 HA HIS 26 -9.413 2.659 2.988
211 HB2 HIS 26 HB2 HIS 26 -9.134 3.172 0.022
212 HB3 HIS 26 HB1 HIS 26 -10.466 3.701 1.036
213 HD1 HIS 26 HD1 HIS 26 -7.413 4.890 -0.385
214 HD2 HIS 26 HD2 HIS 26 -9.454 5.550 3.173
215 HE1 HIS 26 HE1 HIS 26 -6.489 7.039 0.538
216 HE2 HIS 26 HE2 HIS 26 -7.810 7.474 2.637
217 H CYS 27 HN CYS 27 -10.654 0.960 3.439
218 HA CYS 27 HA CYS 27 -11.064 -1.080 1.376
219 HB2 CYS 27 HB2 CYS 27 -11.587 -1.158 4.352
220 HB3 CYS 27 HB1 CYS 27 -11.931 -2.476 3.240
221 HN1 NH2 28 HN1 NH2 28 -12.567 0.060 0.167
222 HN2 NH2 28 HN2 NH2 28 -14.184 0.322 0.714
Start of MODEL 9
1 H1 ASN 1 HT1 ASN 1 12.115 -1.557 -2.694
2 H2 ASN 1 HT2 ASN 1 12.857 -1.189 -1.220
3 H3 ASN 1 HT3 ASN 1 11.450 -0.374 -1.688
4 HA ASN 1 HA ASN 1 11.636 -3.268 -1.099
5 HB2 ASN 1 HB2 ASN 1 10.292 -1.060 0.483
6 HB3 ASN 1 HB1 ASN 1 10.353 -2.762 0.917
7 HD21 ASN 1 HD21 ASN 1 11.222 -0.473 2.428
8 HD22 ASN 1 HD22 ASN 1 12.908 -0.693 2.735
9 H ASP 2 HN ASP 2 9.640 -4.383 -1.304
10 HA ASP 2 HA ASP 2 7.794 -3.122 -3.172
11 HB2 ASP 2 HB2 ASP 2 6.798 -5.418 -3.334
12 HB3 ASP 2 HB1 ASP 2 8.492 -5.337 -3.796
13 H LYS 3 HN LYS 3 7.595 -1.889 -0.820
14 HA LYS 3 HA LYS 3 5.955 -3.092 1.128
15 HB2 LYS 3 HB2 LYS 3 6.464 -0.170 0.569
16 HB3 LYS 3 HB1 LYS 3 5.691 -0.798 2.018
17 HG2 LYS 3 HG2 LYS 3 7.717 -1.989 2.613
18 HG3 LYS 3 HG1 LYS 3 8.494 -1.437 1.130
19 HD2 LYS 3 HD2 LYS 3 9.236 -0.069 2.967
20 HD3 LYS 3 HD1 LYS 3 8.213 0.898 1.904
21 HE2 LYS 3 HE2 LYS 3 6.337 0.625 3.409
22 HE3 LYS 3 HE1 LYS 3 7.287 -0.440 4.441
23 HZ1 LYS 3 HZ1 LYS 3 7.177 1.795 5.336
24 HZ2 LYS 3 HZ2 LYS 3 7.863 2.424 3.926
25 HZ3 LYS 3 HZ3 LYS 3 8.768 1.402 4.921
26 H CYS 4 HN CYS 4 5.221 -1.041 -1.643
27 HA CYS 4 HA CYS 4 2.513 -0.582 -1.106
28 HB2 CYS 4 HB2 CYS 4 4.009 -0.807 -3.720
29 HB3 CYS 4 HB1 CYS 4 2.328 -0.296 -3.609
30 H LYS 5 HN LYS 5 4.148 -3.246 -2.721
31 HA LYS 5 HA LYS 5 1.750 -4.575 -3.529
32 HB2 LYS 5 HB2 LYS 5 4.591 -5.585 -3.294
33 HB3 LYS 5 HB1 LYS 5 3.269 -6.473 -4.040
34 HG2 LYS 5 HG2 LYS 5 3.053 -4.740 -5.740
35 HG3 LYS 5 HG1 LYS 5 4.360 -3.828 -4.986
36 HD2 LYS 5 HD2 LYS 5 5.144 -5.109 -6.923
37 HD3 LYS 5 HD1 LYS 5 5.911 -5.650 -5.429
38 HE2 LYS 5 HE2 LYS 5 4.413 -7.546 -5.308
39 HE3 LYS 5 HE1 LYS 5 3.536 -6.980 -6.727
40 HZ1 LYS 5 HZ1 LYS 5 5.122 -8.753 -7.233
41 HZ2 LYS 5 HZ2 LYS 5 6.393 -7.775 -6.708
42 HZ3 LYS 5 HZ3 LYS 5 5.487 -7.326 -8.063
43 H GLU 6 HN GLU 6 4.048 -4.893 -0.900
44 HA GLU 6 HA GLU 6 3.060 -7.195 0.327
45 HB2 GLU 6 HB2 GLU 6 5.212 -6.062 0.840
46 HB3 GLU 6 HB1 GLU 6 4.322 -4.763 1.615
47 HG2 GLU 6 HG2 GLU 6 3.460 -6.377 3.263
48 HG3 GLU 6 HG1 GLU 6 4.441 -7.634 2.504
49 H LEU 7 HN LEU 7 2.220 -3.791 0.776
50 HA LEU 7 HA LEU 7 0.266 -4.283 2.794
51 HB2 LEU 7 HB2 LEU 7 0.719 -1.890 1.020
52 HB3 LEU 7 HB1 LEU 7 -0.350 -1.921 2.408
53 HG LEU 7 HG LEU 7 2.631 -2.380 2.556
54 HD11 LEU 7 HD11 LEU 7 2.767 -0.130 3.487
55 HD12 LEU 7 HD12 LEU 7 1.044 0.103 3.189
56 HD13 LEU 7 HD13 LEU 7 2.155 -0.102 1.832
57 HD21 LEU 7 HD21 LEU 7 1.359 -3.411 4.373
58 HD22 LEU 7 HD22 LEU 7 0.589 -1.861 4.710
59 HD23 LEU 7 HD23 LEU 7 2.324 -2.054 4.949
60 H LYS 8 HN LYS 8 0.206 -3.860 -0.697
61 HA LYS 8 HA LYS 8 -2.563 -3.752 -1.087
62 HB2 LYS 8 HB2 LYS 8 -0.957 -3.226 -2.846
63 HB3 LYS 8 HB1 LYS 8 -0.394 -4.888 -2.860
64 HG2 LYS 8 HG2 LYS 8 -1.794 -4.560 -4.753
65 HG3 LYS 8 HG1 LYS 8 -2.656 -5.585 -3.608
66 HD2 LYS 8 HD2 LYS 8 -4.030 -3.760 -2.903
67 HD3 LYS 8 HD1 LYS 8 -3.057 -2.607 -3.817
68 HE2 LYS 8 HE2 LYS 8 -5.144 -3.110 -4.974
69 HE3 LYS 8 HE1 LYS 8 -3.753 -3.664 -5.902
70 HZ1 LYS 8 HZ1 LYS 8 -5.522 -5.364 -4.226
71 HZ2 LYS 8 HZ2 LYS 8 -4.167 -5.912 -5.077
72 HZ3 LYS 8 HZ3 LYS 8 -5.502 -5.306 -5.915
73 H LYS 9 HN LYS 9 -0.377 -6.499 -0.747
74 HA LYS 9 HA LYS 9 -2.456 -8.425 -1.253
75 HB2 LYS 9 HB2 LYS 9 0.372 -8.739 -0.238
76 HB3 LYS 9 HB1 LYS 9 -0.704 -10.085 -0.591
77 HG2 LYS 9 HG2 LYS 9 -0.823 -9.398 -2.926
78 HG3 LYS 9 HG1 LYS 9 0.222 -8.019 -2.581
79 HD2 LYS 9 HD2 LYS 9 2.015 -9.546 -1.926
80 HD3 LYS 9 HD1 LYS 9 0.965 -10.924 -2.263
81 HE2 LYS 9 HE2 LYS 9 0.816 -10.213 -4.611
82 HE3 LYS 9 HE1 LYS 9 1.898 -8.865 -4.262
83 HZ1 LYS 9 HZ1 LYS 9 2.579 -11.743 -4.006
84 HZ2 LYS 9 HZ2 LYS 9 3.616 -10.456 -3.661
85 HZ3 LYS 9 HZ3 LYS 9 3.089 -10.713 -5.244
86 H ARG 10 HN ARG 10 -0.856 -7.077 1.579
87 HA ARG 10 HA ARG 10 -1.938 -8.825 3.503
88 HB2 ARG 10 HB2 ARG 10 -0.060 -7.279 3.935
89 HB3 ARG 10 HB1 ARG 10 -1.167 -5.923 3.820
90 HG2 ARG 10 HG2 ARG 10 -2.340 -6.630 5.788
91 HG3 ARG 10 HG1 ARG 10 -1.389 -8.118 5.866
92 HD2 ARG 10 HD2 ARG 10 -0.342 -5.300 6.162
93 HD3 ARG 10 HD1 ARG 10 -0.548 -6.476 7.461
94 HE ARG 10 HE ARG 10 1.085 -7.828 5.892
95 HH11 ARG 10 HH11 ARG 10 2.952 -4.356 6.642
96 HH12 ARG 10 HH12 ARG 10 1.234 -4.462 6.845
97 HH21 ARG 10 HH21 ARG 10 3.328 -7.694 5.632
98 HH22 ARG 10 HH22 ARG 10 4.149 -6.192 5.927
99 H TYR 11 HN TYR 11 -3.055 -5.656 2.351
100 HA TYR 11 HA TYR 11 -5.550 -5.963 3.812
101 HB2 TYR 11 HB2 TYR 11 -4.525 -3.743 2.035
102 HB3 TYR 11 HB1 TYR 11 -6.070 -3.716 2.876
103 HD1 TYR 11 HD1 TYR 11 -6.156 -3.526 5.318
104 HD2 TYR 11 HD2 TYR 11 -2.462 -3.358 3.218
105 HE1 TYR 11 HE1 TYR 11 -5.073 -2.577 7.309
106 HE2 TYR 11 HE2 TYR 11 -1.371 -2.413 5.202
107 HH TYR 11 HH TYR 11 -1.970 -1.177 7.225
108 H AIB 12 HN AIB 12 -6.189 -7.861 2.655
109 HB11 AIB 12 HB11 AIB 12 -6.744 -9.994 1.559
110 HB12 AIB 12 HB12 AIB 12 -8.127 -9.907 0.468
111 HB13 AIB 12 HB13 AIB 12 -8.253 -9.262 2.104
112 HB21 AIB 12 HB21 AIB 12 -5.399 -8.956 -0.123
113 HB22 AIB 12 HB22 AIB 12 -5.803 -7.374 -0.781
114 HB23 AIB 12 HB23 AIB 12 -6.770 -8.784 -1.218
115 H GLY 13 HN GLY 13 -7.579 -6.899 -1.479
116 HA2 GLY 13 HA2 GLY 13 -9.596 -6.238 -2.470
117 HA3 GLY 13 HA1 GLY 13 -10.388 -6.395 -0.912
118 H CYS 14 HN CYS 14 -7.737 -4.747 -0.129
119 HA CYS 14 HA CYS 14 -9.178 -2.216 -0.307
120 HB2 CYS 14 HB2 CYS 14 -6.669 -2.868 1.231
121 HB3 CYS 14 HB1 CYS 14 -7.635 -1.405 1.375
122 H GLU 15 HN GLU 15 -8.323 -0.381 -1.172
123 HA GLU 15 HA GLU 15 -6.172 -0.764 -3.099
124 HB2 GLU 15 HB2 GLU 15 -8.058 1.570 -2.708
125 HB3 GLU 15 HB1 GLU 15 -6.913 1.381 -4.030
126 HG2 GLU 15 HG2 GLU 15 -8.115 -0.544 -4.848
127 HG3 GLU 15 HG1 GLU 15 -9.215 -0.477 -3.472
128 H VAL 16 HN VAL 16 -4.264 -0.531 -2.171
129 HA VAL 16 HA VAL 16 -3.874 1.454 -0.076
130 HB VAL 16 HB VAL 16 -1.961 -0.623 -1.159
131 HG11 VAL 16 HG11 VAL 16 -1.770 1.100 1.308
132 HG12 VAL 16 HG12 VAL 16 -0.831 1.314 -0.171
133 HG13 VAL 16 HG13 VAL 16 -0.616 -0.138 0.808
134 HG21 VAL 16 HG21 VAL 16 -3.893 -1.630 -0.057
135 HG22 VAL 16 HG22 VAL 16 -3.623 -0.617 1.357
136 HG23 VAL 16 HG23 VAL 16 -2.438 -1.842 0.913
137 H ARG 17 HN ARG 17 -3.131 3.406 -0.532
138 HA ARG 17 HA ARG 17 -1.954 3.877 -3.173
139 HB2 ARG 17 HB2 ARG 17 -3.939 5.227 -2.278
140 HB3 ARG 17 HB1 ARG 17 -2.785 5.984 -1.189
141 HG2 ARG 17 HG2 ARG 17 -1.466 6.697 -3.162
142 HG3 ARG 17 HG1 ARG 17 -2.738 6.048 -4.197
143 HD2 ARG 17 HD2 ARG 17 -3.234 8.323 -4.040
144 HD3 ARG 17 HD1 ARG 17 -4.323 7.561 -2.885
145 HE ARG 17 HE ARG 17 -1.779 8.699 -1.953
146 HH11 ARG 17 HH11 ARG 17 -5.280 8.704 -1.939
147 HH12 ARG 17 HH12 ARG 17 -5.398 9.847 -0.641
148 HH21 ARG 17 HH21 ARG 17 -1.928 10.216 -0.251
149 HH22 ARG 17 HH22 ARG 17 -3.498 10.704 0.318
150 H CYS 18 HN CYS 18 0.137 4.259 -3.397
151 HA CYS 18 HA CYS 18 1.864 4.363 -1.103
152 HB2 CYS 18 HB2 CYS 18 2.647 4.802 -3.985
153 HB3 CYS 18 HB1 CYS 18 3.654 4.214 -2.668
154 H ASP 19 HN ASP 19 2.207 6.207 -0.030
155 HA ASP 19 HA ASP 19 2.171 8.738 -1.543
156 HB2 ASP 19 HB2 ASP 19 0.156 8.223 -0.000
157 HB3 ASP 19 HB1 ASP 19 1.281 8.493 1.324
158 HA DPR 20 HA DPR 20 6.165 9.584 0.291
159 HB2 DPR 20 HB2 DPR 20 7.722 9.188 -1.313
160 HB3 DPR 20 HB1 DPR 20 7.308 7.475 -1.427
161 HG2 DPR 20 HG2 DPR 20 6.045 9.829 -2.758
162 HG3 DPR 20 HG1 DPR 20 6.380 8.218 -3.414
163 HD2 DPR 20 HD2 DPR 20 3.915 8.947 -2.628
164 HD3 DPR 20 HD1 DPR 20 4.506 7.286 -2.428
165 HA PRO 21 HA PRO 21 7.530 6.071 2.792
166 HB2 PRO 21 HB2 PRO 21 7.764 7.423 5.099
167 HB3 PRO 21 HB1 PRO 21 8.955 7.594 3.804
168 HG2 PRO 21 HG2 PRO 21 6.688 9.402 4.542
169 HG3 PRO 21 HG1 PRO 21 8.348 9.820 4.085
170 HD2 PRO 21 HD2 PRO 21 6.211 9.920 2.366
171 HD3 PRO 21 HD1 PRO 21 7.889 9.677 1.845
172 H ARG 22 HN ARG 22 4.667 7.760 2.677
173 HA ARG 22 HA ARG 22 3.490 6.217 4.888
174 HB2 ARG 22 HB2 ARG 22 2.623 8.829 3.649
175 HB3 ARG 22 HB1 ARG 22 1.655 7.926 4.804
176 HG2 ARG 22 HG2 ARG 22 3.365 8.183 6.495
177 HG3 ARG 22 HG1 ARG 22 4.419 8.991 5.335
178 HD2 ARG 22 HD2 ARG 22 3.348 10.611 6.787
179 HD3 ARG 22 HD1 ARG 22 2.796 10.807 5.128
180 HE ARG 22 HE ARG 22 0.789 9.426 5.949
181 HH11 ARG 22 HH11 ARG 22 2.595 11.640 7.963
182 HH12 ARG 22 HH12 ARG 22 1.223 12.089 8.924
183 HH21 ARG 22 HH21 ARG 22 -0.831 11.170 8.499
184 HH22 ARG 22 HH22 ARG 22 -1.032 10.037 7.198
185 H TYR 23 HN TYR 23 1.315 5.401 4.514
186 HA TYR 23 HA TYR 23 0.645 5.033 1.691
187 HB2 TYR 23 HB2 TYR 23 0.894 2.757 3.666
188 HB3 TYR 23 HB1 TYR 23 0.331 2.625 2.006
189 HD1 TYR 23 HD1 TYR 23 3.257 3.183 4.150
190 HD2 TYR 23 HD2 TYR 23 1.878 2.649 0.164
191 HE1 TYR 23 HE1 TYR 23 5.570 2.834 3.407
192 HE2 TYR 23 HE2 TYR 23 4.187 2.294 -0.591
193 HH TYR 23 HH TYR 23 6.448 2.786 0.094
194 H GLU 24 HN GLU 24 -1.475 5.048 1.282
195 HA GLU 24 HA GLU 24 -3.231 5.392 3.620
196 HB2 GLU 24 HB2 GLU 24 -3.586 6.380 0.783
197 HB3 GLU 24 HB1 GLU 24 -4.732 6.627 2.094
198 HG2 GLU 24 HG2 GLU 24 -1.913 7.679 1.995
199 HG3 GLU 24 HG1 GLU 24 -3.378 8.609 1.686
200 H VAL 25 HN VAL 25 -4.551 3.774 4.048
201 HA VAL 25 HA VAL 25 -4.986 1.740 2.003
202 HB VAL 25 HB VAL 25 -5.639 1.695 4.956
203 HG11 VAL 25 HG11 VAL 25 -5.707 -0.524 2.915
204 HG12 VAL 25 HG12 VAL 25 -7.109 0.234 3.667
205 HG13 VAL 25 HG13 VAL 25 -5.983 -0.706 4.647
206 HG21 VAL 25 HG21 VAL 25 -3.381 0.416 3.415
207 HG22 VAL 25 HG22 VAL 25 -3.729 0.155 5.124
208 HG23 VAL 25 HG23 VAL 25 -3.241 1.753 4.557
209 H HIS 26 HN HIS 26 -6.726 1.910 0.768
210 HA HIS 26 HA HIS 26 -9.165 3.066 1.946
211 HB2 HIS 26 HB2 HIS 26 -8.100 3.145 -0.868
212 HB3 HIS 26 HB1 HIS 26 -9.779 3.507 -0.501
213 HD1 HIS 26 HD1 HIS 26 -10.253 5.892 -0.043
214 HD2 HIS 26 HD2 HIS 26 -6.269 4.944 0.637
215 HE1 HIS 26 HE1 HIS 26 -9.131 8.065 0.529
216 HE2 HIS 26 HE2 HIS 26 -6.780 7.426 1.154
217 H CYS 27 HN CYS 27 -10.106 1.205 2.705
218 HA CYS 27 HA CYS 27 -10.395 -1.079 0.936
219 HB2 CYS 27 HB2 CYS 27 -11.398 -0.661 3.756
220 HB3 CYS 27 HB1 CYS 27 -11.441 -2.174 2.863
221 HN1 NH2 28 HN1 NH2 28 -12.587 0.934 2.860
222 HN2 NH2 28 HN2 NH2 28 -13.939 0.790 1.792
Start of MODEL 10
1 H1 ASN 1 HT1 ASN 1 12.282 0.002 -0.347
2 H2 ASN 1 HT2 ASN 1 12.997 -0.267 1.159
3 H3 ASN 1 HT3 ASN 1 11.424 0.349 1.064
4 HA ASN 1 HA ASN 1 12.274 -2.332 0.149
5 HB2 ASN 1 HB2 ASN 1 10.696 -1.450 2.587
6 HB3 ASN 1 HB1 ASN 1 10.836 -3.122 2.057
7 HD21 ASN 1 HD21 ASN 1 11.649 -1.999 4.573
8 HD22 ASN 1 HD22 ASN 1 13.358 -2.254 4.705
9 H ASP 2 HN ASP 2 10.313 -3.713 -0.277
10 HA ASP 2 HA ASP 2 8.448 -2.172 -1.878
11 HB2 ASP 2 HB2 ASP 2 7.609 -4.481 -2.563
12 HB3 ASP 2 HB1 ASP 2 9.256 -4.075 -3.021
13 H LYS 3 HN LYS 3 8.038 -1.528 0.661
14 HA LYS 3 HA LYS 3 6.204 -3.041 2.139
15 HB2 LYS 3 HB2 LYS 3 7.402 -1.204 3.157
16 HB3 LYS 3 HB1 LYS 3 6.679 -0.056 2.041
17 HG2 LYS 3 HG2 LYS 3 5.598 0.169 4.149
18 HG3 LYS 3 HG1 LYS 3 4.463 -0.576 3.025
19 HD2 LYS 3 HD2 LYS 3 4.247 -1.754 5.064
20 HD3 LYS 3 HD1 LYS 3 5.166 -2.806 3.986
21 HE2 LYS 3 HE2 LYS 3 7.247 -2.067 5.056
22 HE3 LYS 3 HE1 LYS 3 6.316 -1.028 6.133
23 HZ1 LYS 3 HZ1 LYS 3 6.203 -3.991 6.006
24 HZ2 LYS 3 HZ2 LYS 3 5.188 -3.036 6.961
25 HZ3 LYS 3 HZ3 LYS 3 6.852 -3.055 7.255
26 H CYS 4 HN CYS 4 5.773 -0.658 -0.401
27 HA CYS 4 HA CYS 4 3.017 -0.339 -0.344
28 HB2 CYS 4 HB2 CYS 4 4.480 0.993 -1.790
29 HB3 CYS 4 HB1 CYS 4 4.860 -0.435 -2.743
30 H LYS 5 HN LYS 5 4.970 -2.791 -1.982
31 HA LYS 5 HA LYS 5 2.791 -4.103 -3.223
32 HB2 LYS 5 HB2 LYS 5 5.541 -5.160 -2.549
33 HB3 LYS 5 HB1 LYS 5 4.404 -5.912 -3.658
34 HG2 LYS 5 HG2 LYS 5 5.618 -3.181 -4.022
35 HG3 LYS 5 HG1 LYS 5 6.188 -4.657 -4.796
36 HD2 LYS 5 HD2 LYS 5 3.960 -4.907 -5.858
37 HD3 LYS 5 HD1 LYS 5 3.486 -3.362 -5.150
38 HE2 LYS 5 HE2 LYS 5 5.307 -2.257 -6.359
39 HE3 LYS 5 HE1 LYS 5 5.760 -3.800 -7.080
40 HZ1 LYS 5 HZ1 LYS 5 4.426 -2.519 -8.602
41 HZ2 LYS 5 HZ2 LYS 5 3.186 -2.377 -7.464
42 HZ3 LYS 5 HZ3 LYS 5 3.561 -3.890 -8.116
43 H GLU 6 HN GLU 6 4.547 -4.590 -0.210
44 HA GLU 6 HA GLU 6 3.311 -6.982 0.586
45 HB2 GLU 6 HB2 GLU 6 4.576 -4.729 2.128
46 HB3 GLU 6 HB1 GLU 6 3.898 -6.136 2.935
47 HG2 GLU 6 HG2 GLU 6 6.102 -6.179 0.884
48 HG3 GLU 6 HG1 GLU 6 6.308 -6.341 2.626
49 H LEU 7 HN LEU 7 2.374 -3.611 1.080
50 HA LEU 7 HA LEU 7 0.126 -4.231 2.722
51 HB2 LEU 7 HB2 LEU 7 0.768 -1.756 1.128
52 HB3 LEU 7 HB1 LEU 7 -0.512 -1.880 2.316
53 HG LEU 7 HG LEU 7 2.444 -2.144 2.887
54 HD11 LEU 7 HD11 LEU 7 0.499 0.071 3.520
55 HD12 LEU 7 HD12 LEU 7 1.815 0.139 2.347
56 HD13 LEU 7 HD13 LEU 7 2.173 -0.016 4.067
57 HD21 LEU 7 HD21 LEU 7 0.079 -2.145 4.757
58 HD22 LEU 7 HD22 LEU 7 1.770 -2.105 5.248
59 HD23 LEU 7 HD23 LEU 7 1.130 -3.515 4.405
60 H LYS 8 HN LYS 8 0.629 -3.674 -0.708
61 HA LYS 8 HA LYS 8 -2.058 -3.756 -1.540
62 HB2 LYS 8 HB2 LYS 8 0.498 -4.539 -2.939
63 HB3 LYS 8 HB1 LYS 8 -1.065 -4.604 -3.732
64 HG2 LYS 8 HG2 LYS 8 -0.066 -2.075 -2.477
65 HG3 LYS 8 HG1 LYS 8 0.413 -2.548 -4.107
66 HD2 LYS 8 HD2 LYS 8 -2.044 -2.736 -4.643
67 HD3 LYS 8 HD1 LYS 8 -2.362 -1.976 -3.085
68 HE2 LYS 8 HE2 LYS 8 -1.082 -0.021 -3.751
69 HE3 LYS 8 HE1 LYS 8 -0.683 -0.785 -5.287
70 HZ1 LYS 8 HZ1 LYS 8 -3.102 -0.838 -5.765
71 HZ2 LYS 8 HZ2 LYS 8 -2.466 0.720 -5.644
72 HZ3 LYS 8 HZ3 LYS 8 -3.365 0.079 -4.370
73 H LYS 9 HN LYS 9 0.295 -6.300 -0.900
74 HA LYS 9 HA LYS 9 -1.336 -8.450 -1.772
75 HB2 LYS 9 HB2 LYS 9 0.968 -8.399 0.187
76 HB3 LYS 9 HB1 LYS 9 0.222 -9.867 -0.429
77 HG2 LYS 9 HG2 LYS 9 0.933 -9.337 -2.672
78 HG3 LYS 9 HG1 LYS 9 1.576 -7.784 -2.131
79 HD2 LYS 9 HD2 LYS 9 3.136 -9.004 -0.643
80 HD3 LYS 9 HD1 LYS 9 2.540 -10.523 -1.317
81 HE2 LYS 9 HE2 LYS 9 3.849 -8.305 -2.886
82 HE3 LYS 9 HE1 LYS 9 4.644 -9.787 -2.361
83 HZ1 LYS 9 HZ1 LYS 9 3.925 -9.919 -4.662
84 HZ2 LYS 9 HZ2 LYS 9 2.322 -9.645 -4.206
85 HZ3 LYS 9 HZ3 LYS 9 3.109 -11.056 -3.715
86 H ARG 10 HN ARG 10 -0.730 -6.996 1.389
87 HA ARG 10 HA ARG 10 -2.224 -8.815 2.916
88 HB2 ARG 10 HB2 ARG 10 -0.576 -7.203 3.840
89 HB3 ARG 10 HB1 ARG 10 -1.708 -5.899 3.517
90 HG2 ARG 10 HG2 ARG 10 -3.329 -6.966 5.040
91 HG3 ARG 10 HG1 ARG 10 -2.121 -8.200 5.415
92 HD2 ARG 10 HD2 ARG 10 -1.910 -5.235 5.935
93 HD3 ARG 10 HD1 ARG 10 -2.120 -6.504 7.140
94 HE ARG 10 HE ARG 10 0.225 -6.990 5.634
95 HH11 ARG 10 HH11 ARG 10 0.530 -4.528 8.795
96 HH12 ARG 10 HH12 ARG 10 -1.033 -4.889 8.138
97 HH21 ARG 10 HH21 ARG 10 2.273 -6.530 6.507
98 HH22 ARG 10 HH22 ARG 10 2.415 -5.466 7.870
99 H TYR 11 HN TYR 11 -3.142 -5.596 1.687
100 HA TYR 11 HA TYR 11 -5.868 -6.060 2.622
101 HB2 TYR 11 HB2 TYR 11 -4.600 -3.598 1.423
102 HB3 TYR 11 HB1 TYR 11 -6.226 -3.699 2.082
103 HD1 TYR 11 HD1 TYR 11 -6.523 -4.156 4.538
104 HD2 TYR 11 HD2 TYR 11 -2.748 -3.210 2.822
105 HE1 TYR 11 HE1 TYR 11 -5.657 -3.596 6.763
106 HE2 TYR 11 HE2 TYR 11 -1.873 -2.648 5.048
107 HH TYR 11 HH TYR 11 -3.493 -3.469 7.915
108 H AIB 12 HN AIB 12 -5.751 -7.804 0.823
109 HB11 AIB 12 HB11 AIB 12 -7.246 -9.418 -0.420
110 HB12 AIB 12 HB12 AIB 12 -5.598 -9.462 -1.045
111 HB13 AIB 12 HB13 AIB 12 -6.961 -9.364 -2.158
112 HB21 AIB 12 HB21 AIB 12 -5.565 -6.010 -2.265
113 HB22 AIB 12 HB22 AIB 12 -5.978 -7.448 -3.196
114 HB23 AIB 12 HB23 AIB 12 -4.614 -7.483 -2.079
115 H GLY 13 HN GLY 13 -8.237 -6.828 0.603
116 HA2 GLY 13 HA2 GLY 13 -10.346 -6.343 -1.386
117 HA3 GLY 13 HA1 GLY 13 -10.612 -6.682 0.316
118 H CYS 14 HN CYS 14 -8.119 -4.438 -0.558
119 HA CYS 14 HA CYS 14 -9.934 -2.172 -0.121
120 HB2 CYS 14 HB2 CYS 14 -7.244 -2.384 1.217
121 HB3 CYS 14 HB1 CYS 14 -8.463 -1.146 1.468
122 H GLU 15 HN GLU 15 -8.867 -0.092 -0.671
123 HA GLU 15 HA GLU 15 -7.032 -0.413 -2.929
124 HB2 GLU 15 HB2 GLU 15 -8.774 1.908 -2.089
125 HB3 GLU 15 HB1 GLU 15 -7.663 1.945 -3.452
126 HG2 GLU 15 HG2 GLU 15 -10.043 0.129 -3.146
127 HG3 GLU 15 HG1 GLU 15 -9.931 1.542 -4.194
128 H VAL 16 HN VAL 16 -4.981 -0.306 -2.313
129 HA VAL 16 HA VAL 16 -4.223 1.396 -0.058
130 HB VAL 16 HB VAL 16 -2.549 -0.604 -1.584
131 HG11 VAL 16 HG11 VAL 16 -1.222 1.121 -0.499
132 HG12 VAL 16 HG12 VAL 16 -1.009 -0.433 0.307
133 HG13 VAL 16 HG13 VAL 16 -2.037 0.802 1.032
134 HG21 VAL 16 HG21 VAL 16 -4.368 -1.737 -0.444
135 HG22 VAL 16 HG22 VAL 16 -3.975 -0.903 1.056
136 HG23 VAL 16 HG23 VAL 16 -2.840 -2.065 0.373
137 H ARG 17 HN ARG 17 -3.595 3.415 -0.517
138 HA ARG 17 HA ARG 17 -2.307 3.952 -3.091
139 HB2 ARG 17 HB2 ARG 17 -4.101 5.483 -2.443
140 HB3 ARG 17 HB1 ARG 17 -3.257 5.860 -0.953
141 HG2 ARG 17 HG2 ARG 17 -2.924 7.642 -2.526
142 HG3 ARG 17 HG1 ARG 17 -1.397 6.795 -2.272
143 HD2 ARG 17 HD2 ARG 17 -1.898 5.478 -4.352
144 HD3 ARG 17 HD1 ARG 17 -3.259 6.562 -4.628
145 HE ARG 17 HE ARG 17 -0.828 7.998 -4.244
146 HH11 ARG 17 HH11 ARG 17 -2.671 6.190 -6.606
147 HH12 ARG 17 HH12 ARG 17 -1.912 6.953 -7.965
148 HH21 ARG 17 HH21 ARG 17 0.173 8.998 -6.032
149 HH22 ARG 17 HH22 ARG 17 -0.301 8.549 -7.639
150 H CYS 18 HN CYS 18 -0.192 4.206 -3.269
151 HA CYS 18 HA CYS 18 1.384 4.340 -0.804
152 HB2 CYS 18 HB2 CYS 18 2.222 3.443 -3.567
153 HB3 CYS 18 HB1 CYS 18 3.196 3.354 -2.103
154 H ASP 19 HN ASP 19 2.436 6.165 -0.359
155 HA ASP 19 HA ASP 19 3.409 7.820 -2.573
156 HB2 ASP 19 HB2 ASP 19 1.266 8.802 -1.732
157 HB3 ASP 19 HB1 ASP 19 2.008 8.957 -0.144
158 HA DPR 20 HA DPR 20 7.127 8.296 -0.267
159 HB2 DPR 20 HB2 DPR 20 8.354 7.345 -1.921
160 HB3 DPR 20 HB1 DPR 20 8.390 5.934 -0.861
161 HG2 DPR 20 HG2 DPR 20 7.377 5.792 -3.338
162 HG3 DPR 20 HG1 DPR 20 6.688 4.869 -1.993
163 HD2 DPR 20 HD2 DPR 20 5.676 7.361 -3.292
164 HD3 DPR 20 HD1 DPR 20 4.773 5.974 -2.648
165 HA PRO 21 HA PRO 21 7.092 5.642 3.344
166 HB2 PRO 21 HB2 PRO 21 7.298 7.567 5.171
167 HB3 PRO 21 HB1 PRO 21 8.657 7.180 4.108
168 HG2 PRO 21 HG2 PRO 21 6.701 9.435 3.936
169 HG3 PRO 21 HG1 PRO 21 8.450 9.447 3.652
170 HD2 PRO 21 HD2 PRO 21 6.514 9.300 1.670
171 HD3 PRO 21 HD1 PRO 21 8.205 8.800 1.481
172 H ARG 22 HN ARG 22 4.663 7.567 2.136
173 HA ARG 22 HA ARG 22 2.930 7.145 4.481
174 HB2 ARG 22 HB2 ARG 22 2.647 9.025 2.138
175 HB3 ARG 22 HB1 ARG 22 1.399 8.773 3.349
176 HG2 ARG 22 HG2 ARG 22 2.928 9.598 5.081
177 HG3 ARG 22 HG1 ARG 22 4.157 9.878 3.843
178 HD2 ARG 22 HD2 ARG 22 2.720 11.462 2.724
179 HD3 ARG 22 HD1 ARG 22 1.414 11.125 3.858
180 HE ARG 22 HE ARG 22 3.420 11.958 5.469
181 HH11 ARG 22 HH11 ARG 22 1.971 13.271 2.571
182 HH12 ARG 22 HH12 ARG 22 2.226 14.924 3.034
183 HH21 ARG 22 HH21 ARG 22 3.226 15.420 5.039
184 HH22 ARG 22 HH22 ARG 22 3.738 14.145 6.098
185 H TYR 23 HN TYR 23 1.023 6.044 4.291
186 HA TYR 23 HA TYR 23 0.305 4.968 1.669
187 HB2 TYR 23 HB2 TYR 23 0.541 3.242 4.138
188 HB3 TYR 23 HB1 TYR 23 0.060 2.718 2.530
189 HD1 TYR 23 HD1 TYR 23 2.841 3.516 4.716
190 HD2 TYR 23 HD2 TYR 23 1.724 2.634 0.709
191 HE1 TYR 23 HE1 TYR 23 5.184 3.035 4.175
192 HE2 TYR 23 HE2 TYR 23 4.069 2.154 0.159
193 HH TYR 23 HH TYR 23 6.291 2.650 0.959
194 H GLU 24 HN GLU 24 -1.843 4.771 1.347
195 HA GLU 24 HA GLU 24 -3.589 5.392 3.640
196 HB2 GLU 24 HB2 GLU 24 -3.990 6.283 0.778
197 HB3 GLU 24 HB1 GLU 24 -5.040 6.656 2.136
198 HG2 GLU 24 HG2 GLU 24 -3.260 7.949 3.174
199 HG3 GLU 24 HG1 GLU 24 -2.183 7.553 1.836
200 H VAL 25 HN VAL 25 -4.374 3.414 4.088
201 HA VAL 25 HA VAL 25 -5.255 1.657 1.953
202 HB VAL 25 HB VAL 25 -5.351 1.292 4.952
203 HG11 VAL 25 HG11 VAL 25 -5.789 -1.070 4.454
204 HG12 VAL 25 HG12 VAL 25 -5.873 -0.683 2.736
205 HG13 VAL 25 HG13 VAL 25 -7.071 -0.021 3.847
206 HG21 VAL 25 HG21 VAL 25 -3.069 1.395 4.086
207 HG22 VAL 25 HG22 VAL 25 -3.458 0.159 2.893
208 HG23 VAL 25 HG23 VAL 25 -3.466 -0.241 4.609
209 H HIS 26 HN HIS 26 -7.176 1.990 1.072
210 HA HIS 26 HA HIS 26 -9.345 3.019 2.773
211 HB2 HIS 26 HB2 HIS 26 -8.971 3.191 -0.220
212 HB3 HIS 26 HB1 HIS 26 -10.418 3.719 0.620
213 HD1 HIS 26 HD1 HIS 26 -7.611 5.137 -0.863
214 HD2 HIS 26 HD2 HIS 26 -9.433 5.676 2.834
215 HE1 HIS 26 HE1 HIS 26 -6.834 7.381 -0.041
216 HE2 HIS 26 HE2 HIS 26 -7.834 7.621 2.254
217 H CYS 27 HN CYS 27 -10.343 1.261 3.553
218 HA CYS 27 HA CYS 27 -10.991 -0.932 1.738
219 HB2 CYS 27 HB2 CYS 27 -11.355 -0.716 4.733
220 HB3 CYS 27 HB1 CYS 27 -11.626 -2.157 3.763
221 HN1 NH2 28 HN1 NH2 28 -12.678 0.815 4.322
222 HN2 NH2 28 HN2 NH2 28 -14.212 0.868 3.522