NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
570682 |
2mhw   |
19658 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H1 GLY 1 16.339 0.822 -3.593
2 H2 GLY 1 H2 GLY 1 17.418 0.760 -2.290
3 H3 GLY 1 H3 GLY 1 16.428 2.118 -2.508
4 HA2 GLY 1 HA3 GLY 1 14.460 0.758 -2.123
5 HA3 GLY 1 HA2 GLY 1 15.512 -0.622 -1.839
6 H ILE 2 H ILE 2 13.577 1.096 -0.172
7 HA ILE 2 HA ILE 2 15.394 1.475 2.110
8 HB ILE 2 HB ILE 2 12.822 2.908 1.436
9 HG12 ILE 2 HG12 ILE 2 15.644 3.944 1.803
10 HG13 ILE 2 HG13 ILE 2 14.832 3.721 0.256
11 HG21 ILE 2 HG21 ILE 2 12.851 2.432 3.793
12 HG22 ILE 2 HG22 ILE 2 13.153 4.154 3.527
13 HG23 ILE 2 HG23 ILE 2 14.490 3.077 3.934
14 HD11 ILE 2 HD11 ILE 2 14.821 6.045 0.923
15 HD12 ILE 2 HD12 ILE 2 14.012 5.625 2.432
16 HD13 ILE 2 HD13 ILE 2 13.178 5.403 0.893
17 H GLY 3 H GLY 3 11.882 1.357 1.884
18 HA2 GLY 3 HA2 GLY 3 11.301 -1.241 2.402
19 HA3 GLY 3 HA3 GLY 3 11.656 -0.559 3.986
20 H GLY 4 H GLY 4 10.410 1.153 4.753
21 HA2 GLY 4 HA2 GLY 4 7.632 0.888 3.927
22 HA3 GLY 4 HA3 GLY 4 8.207 1.614 5.419
23 H VAL 5 H VAL 5 9.072 2.281 2.064
24 HA VAL 5 HA VAL 5 8.393 5.091 2.544
25 HB VAL 5 HB VAL 5 10.676 4.984 2.004
26 HG11 VAL 5 HG11 VAL 5 11.609 3.710 0.136
27 HG12 VAL 5 HG12 VAL 5 9.998 3.106 -0.258
28 HG13 VAL 5 HG13 VAL 5 10.757 2.659 1.269
29 HG21 VAL 5 HG21 VAL 5 9.432 6.654 0.686
30 HG22 VAL 5 HG22 VAL 5 9.303 5.476 -0.628
31 HG23 VAL 5 HG23 VAL 5 10.888 6.083 -0.135
32 H LEU 6 H LEU 6 8.299 2.612 0.027
33 HA LEU 6 HA LEU 6 5.650 2.832 -0.666
34 HB2 LEU 6 HB2 LEU 6 5.489 4.192 -2.572
35 HB3 LEU 6 HB3 LEU 6 6.380 5.152 -1.423
36 HG LEU 6 HG LEU 6 7.400 5.606 -3.451
37 HD11 LEU 6 HD11 LEU 6 9.633 4.558 -3.417
38 HD12 LEU 6 HD12 LEU 6 9.048 3.456 -2.166
39 HD13 LEU 6 HD13 LEU 6 9.102 5.189 -1.859
40 HD21 LEU 6 HD21 LEU 6 7.368 2.675 -4.124
41 HD22 LEU 6 HD22 LEU 6 8.066 3.952 -5.117
42 HD23 LEU 6 HD23 LEU 6 6.330 3.926 -4.809
43 H LEU 7 H LEU 7 8.872 2.113 -1.274
44 HA LEU 7 HA LEU 7 8.720 0.585 -3.615
45 HB2 LEU 7 HB2 LEU 7 10.739 1.557 -2.301
46 HB3 LEU 7 HB3 LEU 7 10.704 0.027 -1.441
47 HG LEU 7 HG LEU 7 12.338 -0.085 -3.184
48 HD11 LEU 7 HD11 LEU 7 9.833 -1.613 -3.870
49 HD12 LEU 7 HD12 LEU 7 11.194 -2.157 -2.884
50 HD13 LEU 7 HD13 LEU 7 11.406 -1.911 -4.620
51 HD21 LEU 7 HD21 LEU 7 11.912 0.466 -5.443
52 HD22 LEU 7 HD22 LEU 7 11.252 1.778 -4.455
53 HD23 LEU 7 HD23 LEU 7 10.172 0.573 -5.156
54 H SER 8 H SER 8 9.412 -0.811 -0.396
55 HA SER 8 HA SER 8 8.224 -3.298 -1.384
56 HB2 SER 8 HB2 SER 8 9.227 -4.267 0.752
57 HB3 SER 8 HB3 SER 8 10.385 -3.674 -0.439
58 HG SER 8 HG SER 8 9.851 -2.770 2.106
59 H ALA 9 H ALA 9 7.743 -0.682 0.694
60 HA ALA 9 HA ALA 9 5.440 -1.365 2.048
61 HB1 ALA 9 HB1 ALA 9 6.414 1.079 0.610
62 HB2 ALA 9 HB2 ALA 9 6.229 0.808 2.349
63 HB3 ALA 9 HB3 ALA 9 4.801 1.063 1.342
64 H GLY 10 H GLY 10 6.109 -0.962 -1.370
65 HA2 GLY 10 HA2 GLY 10 3.317 -1.200 -2.124
66 HA3 GLY 10 HA3 GLY 10 4.681 -1.029 -3.217
67 H LYS 11 H LYS 11 6.254 -3.101 -2.211
68 HA LYS 11 HA LYS 11 5.380 -5.393 -3.469
69 HB2 LYS 11 HB2 LYS 11 7.460 -4.636 -1.586
70 HB3 LYS 11 HB3 LYS 11 6.999 -6.327 -1.459
71 HG2 LYS 11 HG2 LYS 11 8.770 -6.343 -2.941
72 HG3 LYS 11 HG3 LYS 11 7.348 -6.401 -3.972
73 HD2 LYS 11 HD2 LYS 11 8.680 -3.800 -3.307
74 HD3 LYS 11 HD3 LYS 11 9.258 -4.816 -4.630
75 HE2 LYS 11 HE2 LYS 11 6.418 -3.879 -4.359
76 HE3 LYS 11 HE3 LYS 11 7.642 -3.004 -5.282
77 HZ1 LYS 11 HZ1 LYS 11 7.890 -4.851 -6.756
78 HZ2 LYS 11 HZ2 LYS 11 6.234 -4.504 -6.648
79 HZ3 LYS 11 HZ3 LYS 11 6.882 -5.829 -5.812
80 H ALA 12 H ALA 12 4.796 -4.315 -0.177
81 HA ALA 12 HA ALA 12 3.596 -6.741 0.679
82 HB1 ALA 12 HB1 ALA 12 2.818 -5.459 2.602
83 HB2 ALA 12 HB2 ALA 12 3.257 -3.955 1.788
84 HB3 ALA 12 HB3 ALA 12 4.512 -5.104 2.255
85 H ALA 13 H ALA 13 2.471 -3.910 -0.992
86 HA ALA 13 HA ALA 13 -0.303 -4.292 -0.581
87 HB1 ALA 13 HB1 ALA 13 0.951 -2.869 -2.924
88 HB2 ALA 13 HB2 ALA 13 0.724 -2.138 -1.337
89 HB3 ALA 13 HB3 ALA 13 -0.685 -2.655 -2.276
90 H LEU 14 H LEU 14 1.982 -5.387 -3.031
91 HA LEU 14 HA LEU 14 0.432 -6.587 -4.935
92 HB2 LEU 14 HB2 LEU 14 2.854 -7.660 -3.502
93 HB3 LEU 14 HB3 LEU 14 2.107 -8.524 -4.822
94 HG LEU 14 HG LEU 14 3.014 -7.168 -6.402
95 HD11 LEU 14 HD11 LEU 14 3.090 -4.879 -4.439
96 HD12 LEU 14 HD12 LEU 14 1.869 -5.118 -5.690
97 HD13 LEU 14 HD13 LEU 14 3.546 -4.809 -6.141
98 HD21 LEU 14 HD21 LEU 14 4.870 -8.078 -5.249
99 HD22 LEU 14 HD22 LEU 14 4.759 -6.862 -3.977
100 HD23 LEU 14 HD23 LEU 14 5.275 -6.395 -5.605
101 H LYS 15 H LYS 15 1.031 -7.628 -1.659
102 HA LYS 15 HA LYS 15 -0.304 -10.152 -2.079
103 HB2 LYS 15 HB2 LYS 15 1.023 -9.061 0.380
104 HB3 LYS 15 HB3 LYS 15 0.663 -10.751 0.030
105 HG2 LYS 15 HG2 LYS 15 2.561 -8.999 -1.516
106 HG3 LYS 15 HG3 LYS 15 3.035 -10.204 -0.303
107 HD2 LYS 15 HD2 LYS 15 2.085 -11.971 -1.665
108 HD3 LYS 15 HD3 LYS 15 1.492 -10.771 -2.819
109 HE2 LYS 15 HE2 LYS 15 3.728 -10.151 -3.398
110 HE3 LYS 15 HE3 LYS 15 4.394 -11.209 -2.155
111 HZ1 LYS 15 HZ1 LYS 15 4.552 -12.252 -4.302
112 HZ2 LYS 15 HZ2 LYS 15 2.888 -12.062 -4.572
113 HZ3 LYS 15 HZ3 LYS 15 3.438 -13.105 -3.350
114 H GLY 16 H GLY 16 -0.357 -7.760 0.557
115 HA2 GLY 16 HA2 GLY 16 -3.214 -8.307 0.911
116 HA3 GLY 16 HA3 GLY 16 -2.142 -7.756 2.177
117 H LEU 17 H LEU 17 -0.846 -5.749 1.222
118 HA LEU 17 HA LEU 17 -2.661 -3.890 2.093
119 HB2 LEU 17 HB2 LEU 17 0.131 -3.661 1.073
120 HB3 LEU 17 HB3 LEU 17 -0.783 -2.241 1.567
121 HG LEU 17 HG LEU 17 0.622 -2.899 3.388
122 HD11 LEU 17 HD11 LEU 17 -2.220 -3.736 3.938
123 HD12 LEU 17 HD12 LEU 17 -1.579 -2.094 4.003
124 HD13 LEU 17 HD13 LEU 17 -1.016 -3.305 5.153
125 HD21 LEU 17 HD21 LEU 17 0.466 -5.110 4.454
126 HD22 LEU 17 HD22 LEU 17 1.053 -5.207 2.794
127 HD23 LEU 17 HD23 LEU 17 -0.617 -5.642 3.166
128 H ALA 18 H ALA 18 -2.244 -4.879 -1.150
129 HA ALA 18 HA ALA 18 -3.003 -2.388 -2.279
130 HB1 ALA 18 HB1 ALA 18 -3.779 -5.028 -3.473
131 HB2 ALA 18 HB2 ALA 18 -2.151 -4.361 -3.596
132 HB3 ALA 18 HB3 ALA 18 -3.516 -3.477 -4.280
133 H LYS 19 H LYS 19 -4.535 -4.485 -0.192
134 HA LYS 19 HA LYS 19 -7.227 -3.964 -0.836
135 HB2 LYS 19 HB2 LYS 19 -7.647 -4.983 1.279
136 HB3 LYS 19 HB3 LYS 19 -6.298 -5.825 0.578
137 HG2 LYS 19 HG2 LYS 19 -5.607 -5.671 2.733
138 HG3 LYS 19 HG3 LYS 19 -4.900 -4.199 2.065
139 HD2 LYS 19 HD2 LYS 19 -5.999 -3.831 4.243
140 HD3 LYS 19 HD3 LYS 19 -6.696 -2.883 2.928
141 HE2 LYS 19 HE2 LYS 19 -8.486 -4.555 2.708
142 HE3 LYS 19 HE3 LYS 19 -7.815 -5.433 4.083
143 HZ1 LYS 19 HZ1 LYS 19 -8.895 -2.659 4.129
144 HZ2 LYS 19 HZ2 LYS 19 -8.203 -3.460 5.456
145 HZ3 LYS 19 HZ3 LYS 19 -9.644 -4.039 4.778
146 H VAL 20 H VAL 20 -4.879 -2.547 1.373
147 HA VAL 20 HA VAL 20 -6.707 -0.709 2.632
148 HB VAL 20 HB VAL 20 -4.666 -1.671 3.711
149 HG11 VAL 20 HG11 VAL 20 -2.977 -1.724 2.240
150 HG12 VAL 20 HG12 VAL 20 -2.555 -0.224 3.088
151 HG13 VAL 20 HG13 VAL 20 -3.402 -0.161 1.523
152 HG21 VAL 20 HG21 VAL 20 -3.966 0.350 4.877
153 HG22 VAL 20 HG22 VAL 20 -5.716 0.300 4.670
154 HG23 VAL 20 HG23 VAL 20 -4.735 1.329 3.627
155 H LEU 21 H LEU 21 -4.616 -0.858 0.078
156 HA LEU 21 HA LEU 21 -3.962 1.565 -0.781
157 HB2 LEU 21 HB2 LEU 21 -4.306 -0.986 -1.701
158 HB3 LEU 21 HB3 LEU 21 -5.272 0.000 -2.796
159 HG LEU 21 HG LEU 21 -2.941 -0.396 -3.524
160 HD11 LEU 21 HD11 LEU 21 -2.522 2.012 -4.067
161 HD12 LEU 21 HD12 LEU 21 -3.789 2.440 -2.908
162 HD13 LEU 21 HD13 LEU 21 -4.193 1.519 -4.358
163 HD21 LEU 21 HD21 LEU 21 -1.149 0.154 -2.246
164 HD22 LEU 21 HD22 LEU 21 -2.316 0.079 -0.910
165 HD23 LEU 21 HD23 LEU 21 -1.914 1.636 -1.660
166 H ALA 22 H ALA 22 -7.032 0.024 -1.566
167 HA ALA 22 HA ALA 22 -8.025 2.249 -3.060
168 HB1 ALA 22 HB1 ALA 22 -8.658 -0.014 -3.607
169 HB2 ALA 22 HB2 ALA 22 -10.081 0.946 -3.212
170 HB3 ALA 22 HB3 ALA 22 -9.433 -0.193 -2.033
171 H GLU 23 H GLU 23 -7.644 1.790 0.056
172 HA GLU 23 HA GLU 23 -10.164 2.763 1.104
173 HB2 GLU 23 HB2 GLU 23 -7.718 2.034 2.627
174 HB3 GLU 23 HB3 GLU 23 -9.407 1.804 3.090
175 HG2 GLU 23 HG2 GLU 23 -8.851 0.356 0.681
176 HG3 GLU 23 HG3 GLU 23 -7.611 0.007 1.868
177 H LYS 24 H LYS 24 -6.729 3.353 1.407
178 HA LYS 24 HA LYS 24 -7.118 5.981 2.612
179 HB2 LYS 24 HB2 LYS 24 -4.454 4.774 2.242
180 HB3 LYS 24 HB3 LYS 24 -5.133 5.566 3.630
181 HG2 LYS 24 HG2 LYS 24 -6.189 2.915 2.836
182 HG3 LYS 24 HG3 LYS 24 -4.620 2.992 3.635
183 HD2 LYS 24 HD2 LYS 24 -6.337 2.513 5.241
184 HD3 LYS 24 HD3 LYS 24 -5.693 4.132 5.551
185 HE2 LYS 24 HE2 LYS 24 -7.626 5.172 4.816
186 HE3 LYS 24 HE3 LYS 24 -8.112 3.789 3.838
187 HZ1 LYS 24 HZ1 LYS 24 -8.079 3.766 6.807
188 HZ2 LYS 24 HZ2 LYS 24 -8.749 2.599 5.775
189 HZ3 LYS 24 HZ3 LYS 24 -9.456 4.139 5.884
190 H TYR 25 H TYR 25 -5.236 4.366 0.151
191 HA TYR 25 HA TYR 25 -3.919 6.774 -0.626
192 HB2 TYR 25 HB2 TYR 25 -3.777 3.999 -1.749
193 HB3 TYR 25 HB3 TYR 25 -2.576 5.247 -1.980
194 HD1 TYR 25 HD1 TYR 25 -4.305 3.230 0.429
195 HD2 TYR 25 HD2 TYR 25 -0.716 5.296 -0.432
196 HE1 TYR 25 HE1 TYR 25 -3.293 2.221 2.337
197 HE2 TYR 25 HE2 TYR 25 0.355 4.290 1.555
198 HH TYR 25 HH TYR 25 -1.033 1.667 3.228
199 H ALA 26 H ALA 26 -5.635 4.147 -2.215
200 HA ALA 26 HA ALA 26 -6.107 5.525 -4.676
201 HB1 ALA 26 HB1 ALA 26 -7.403 3.083 -3.461
202 HB2 ALA 26 HB2 ALA 26 -6.003 3.103 -4.540
203 HB3 ALA 26 HB3 ALA 26 -7.585 3.604 -5.142
204 H ASN 27 H ASN 27 -7.565 5.451 -1.617
205 HA ASN 27 HA ASN 27 -10.175 6.178 -1.937
206 HB2 ASN 27 HB2 ASN 27 -9.075 5.864 0.218
207 HB3 ASN 27 HB3 ASN 27 -8.128 7.320 -0.032
208 HD21 ASN 27 HD21 ASN 27 -9.068 9.321 0.291
209 HD22 ASN 27 HD22 ASN 27 -10.628 9.515 1.019
Start of MODEL 2
1 H1 GLY 1 H1 GLY 1 15.393 4.672 2.089
2 H2 GLY 1 H2 GLY 1 15.631 3.385 1.006
3 H3 GLY 1 H3 GLY 1 15.494 3.080 2.667
4 HA2 GLY 1 HA3 GLY 1 13.342 4.158 0.938
5 HA3 GLY 1 HA2 GLY 1 13.459 2.498 1.499
6 H ILE 2 H ILE 2 11.203 3.941 2.018
7 HA ILE 2 HA ILE 2 11.431 4.736 4.835
8 HB ILE 2 HB ILE 2 9.209 5.163 2.831
9 HG12 ILE 2 HG12 ILE 2 11.093 7.143 4.127
10 HG13 ILE 2 HG13 ILE 2 11.197 6.573 2.464
11 HG21 ILE 2 HG21 ILE 2 8.326 4.818 5.050
12 HG22 ILE 2 HG22 ILE 2 8.136 6.505 4.559
13 HG23 ILE 2 HG23 ILE 2 9.409 6.052 5.693
14 HD11 ILE 2 HD11 ILE 2 9.047 7.593 1.968
15 HD12 ILE 2 HD12 ILE 2 10.183 8.780 2.607
16 HD13 ILE 2 HD13 ILE 2 8.909 8.135 3.641
17 H GLY 3 H GLY 3 8.798 3.375 2.936
18 HA2 GLY 3 HA2 GLY 3 8.656 0.811 3.500
19 HA3 GLY 3 HA3 GLY 3 8.177 1.498 5.045
20 H GLY 4 H GLY 4 6.375 2.965 5.058
21 HA2 GLY 4 HA2 GLY 4 4.252 1.945 3.348
22 HA3 GLY 4 HA3 GLY 4 4.045 2.910 4.801
23 H VAL 5 H VAL 5 5.960 3.454 1.893
24 HA VAL 5 HA VAL 5 4.697 6.087 1.631
25 HB VAL 5 HB VAL 5 6.990 6.415 1.993
26 HG11 VAL 5 HG11 VAL 5 7.595 4.261 -0.037
27 HG12 VAL 5 HG12 VAL 5 7.689 4.072 1.714
28 HG13 VAL 5 HG13 VAL 5 8.777 5.191 0.888
29 HG21 VAL 5 HG21 VAL 5 6.707 6.364 -1.000
30 HG22 VAL 5 HG22 VAL 5 7.852 7.329 -0.064
31 HG23 VAL 5 HG23 VAL 5 6.122 7.655 0.055
32 H LEU 6 H LEU 6 6.018 3.441 -0.314
33 HA LEU 6 HA LEU 6 3.870 3.081 -2.001
34 HB2 LEU 6 HB2 LEU 6 4.307 4.221 -4.003
35 HB3 LEU 6 HB3 LEU 6 4.532 5.429 -2.765
36 HG LEU 6 HG LEU 6 6.215 5.866 -4.305
37 HD11 LEU 6 HD11 LEU 6 7.481 4.178 -2.169
38 HD12 LEU 6 HD12 LEU 6 7.171 5.914 -2.128
39 HD13 LEU 6 HD13 LEU 6 8.360 5.258 -3.255
40 HD21 LEU 6 HD21 LEU 6 7.721 4.180 -5.269
41 HD22 LEU 6 HD22 LEU 6 6.030 3.910 -5.688
42 HD23 LEU 6 HD23 LEU 6 6.800 2.919 -4.450
43 H LEU 7 H LEU 7 7.141 2.954 -1.208
44 HA LEU 7 HA LEU 7 8.144 1.153 -3.096
45 HB2 LEU 7 HB2 LEU 7 9.326 2.570 -1.258
46 HB3 LEU 7 HB3 LEU 7 9.071 1.162 -0.239
47 HG LEU 7 HG LEU 7 11.291 1.097 -1.129
48 HD11 LEU 7 HD11 LEU 7 9.406 -0.865 -2.405
49 HD12 LEU 7 HD12 LEU 7 10.414 -1.081 -0.971
50 HD13 LEU 7 HD13 LEU 7 11.161 -0.996 -2.567
51 HD21 LEU 7 HD21 LEU 7 10.683 2.611 -3.025
52 HD22 LEU 7 HD22 LEU 7 10.108 1.181 -3.885
53 HD23 LEU 7 HD23 LEU 7 11.808 1.309 -3.422
54 H SER 8 H SER 8 7.594 0.238 0.315
55 HA SER 8 HA SER 8 7.014 -2.456 -0.697
56 HB2 SER 8 HB2 SER 8 7.285 -3.173 1.682
57 HB3 SER 8 HB3 SER 8 8.743 -2.483 0.970
58 HG SER 8 HG SER 8 7.222 -1.581 3.075
59 H ALA 9 H ALA 9 5.708 0.291 0.771
60 HA ALA 9 HA ALA 9 3.137 -0.489 1.398
61 HB1 ALA 9 HB1 ALA 9 2.583 1.792 0.327
62 HB2 ALA 9 HB2 ALA 9 4.332 1.917 0.065
63 HB3 ALA 9 HB3 ALA 9 3.689 1.761 1.701
64 H GLY 10 H GLY 10 4.890 -0.553 -1.593
65 HA2 GLY 10 HA2 GLY 10 2.469 -1.129 -3.125
66 HA3 GLY 10 HA3 GLY 10 4.086 -0.930 -3.780
67 H LYS 11 H LYS 11 5.580 -2.591 -2.381
68 HA LYS 11 HA LYS 11 5.268 -5.037 -3.583
69 HB2 LYS 11 HB2 LYS 11 6.690 -4.059 -1.175
70 HB3 LYS 11 HB3 LYS 11 6.869 -5.725 -1.730
71 HG2 LYS 11 HG2 LYS 11 7.972 -5.083 -3.652
72 HG3 LYS 11 HG3 LYS 11 7.338 -3.430 -3.587
73 HD2 LYS 11 HD2 LYS 11 9.784 -3.818 -2.899
74 HD3 LYS 11 HD3 LYS 11 8.744 -2.847 -1.837
75 HE2 LYS 11 HE2 LYS 11 8.273 -4.771 -0.482
76 HE3 LYS 11 HE3 LYS 11 9.256 -5.795 -1.531
77 HZ1 LYS 11 HZ1 LYS 11 11.213 -4.489 -0.937
78 HZ2 LYS 11 HZ2 LYS 11 10.507 -5.201 0.429
79 HZ3 LYS 11 HZ3 LYS 11 10.291 -3.547 0.127
80 H ALA 12 H ALA 12 4.574 -4.245 -0.175
81 HA ALA 12 HA ALA 12 3.549 -6.834 0.385
82 HB1 ALA 12 HB1 ALA 12 4.444 -5.373 2.145
83 HB2 ALA 12 HB2 ALA 12 2.791 -5.871 2.498
84 HB3 ALA 12 HB3 ALA 12 3.111 -4.248 1.886
85 H ALA 13 H ALA 13 2.307 -3.985 -1.048
86 HA ALA 13 HA ALA 13 -0.452 -4.415 -0.520
87 HB1 ALA 13 HB1 ALA 13 -0.953 -2.760 -2.149
88 HB2 ALA 13 HB2 ALA 13 0.640 -2.940 -2.903
89 HB3 ALA 13 HB3 ALA 13 0.505 -2.241 -1.289
90 H LEU 14 H LEU 14 1.648 -5.407 -3.227
91 HA LEU 14 HA LEU 14 -0.333 -6.530 -4.851
92 HB2 LEU 14 HB2 LEU 14 2.399 -7.751 -4.422
93 HB3 LEU 14 HB3 LEU 14 1.352 -7.999 -5.798
94 HG LEU 14 HG LEU 14 2.730 -6.538 -6.784
95 HD11 LEU 14 HD11 LEU 14 0.670 -5.265 -6.689
96 HD12 LEU 14 HD12 LEU 14 2.074 -4.197 -6.622
97 HD13 LEU 14 HD13 LEU 14 1.164 -4.553 -5.153
98 HD21 LEU 14 HD21 LEU 14 4.351 -6.589 -5.030
99 HD22 LEU 14 HD22 LEU 14 3.401 -5.476 -4.050
100 HD23 LEU 14 HD23 LEU 14 4.142 -4.918 -5.555
101 H LYS 15 H LYS 15 1.085 -7.601 -1.878
102 HA LYS 15 HA LYS 15 0.091 -10.285 -2.107
103 HB2 LYS 15 HB2 LYS 15 1.261 -8.896 0.282
104 HB3 LYS 15 HB3 LYS 15 1.236 -10.626 -0.033
105 HG2 LYS 15 HG2 LYS 15 2.698 -8.641 -1.720
106 HG3 LYS 15 HG3 LYS 15 3.448 -9.492 -0.375
107 HD2 LYS 15 HD2 LYS 15 2.178 -10.745 -2.793
108 HD3 LYS 15 HD3 LYS 15 3.917 -10.553 -2.538
109 HE2 LYS 15 HE2 LYS 15 3.796 -11.934 -0.545
110 HE3 LYS 15 HE3 LYS 15 2.055 -12.082 -0.753
111 HZ1 LYS 15 HZ1 LYS 15 2.413 -13.275 -2.802
112 HZ2 LYS 15 HZ2 LYS 15 3.260 -14.034 -1.545
113 HZ3 LYS 15 HZ3 LYS 15 4.092 -13.077 -2.670
114 H GLY 16 H GLY 16 -0.230 -7.886 0.476
115 HA2 GLY 16 HA2 GLY 16 -3.016 -8.706 0.875
116 HA3 GLY 16 HA3 GLY 16 -1.966 -8.114 2.144
117 H LEU 17 H LEU 17 -0.811 -6.015 1.163
118 HA LEU 17 HA LEU 17 -2.689 -4.339 2.253
119 HB2 LEU 17 HB2 LEU 17 0.067 -3.881 1.215
120 HB3 LEU 17 HB3 LEU 17 -0.922 -2.551 1.816
121 HG LEU 17 HG LEU 17 0.518 -3.251 3.588
122 HD11 LEU 17 HD11 LEU 17 -2.257 -4.323 4.062
123 HD12 LEU 17 HD12 LEU 17 -1.759 -2.638 4.210
124 HD13 LEU 17 HD13 LEU 17 -1.097 -3.855 5.304
125 HD21 LEU 17 HD21 LEU 17 0.523 -5.527 4.476
126 HD22 LEU 17 HD22 LEU 17 1.061 -5.490 2.798
127 HD23 LEU 17 HD23 LEU 17 -0.569 -6.036 3.191
128 H ALA 18 H ALA 18 -2.468 -5.067 -1.032
129 HA ALA 18 HA ALA 18 -3.261 -2.522 -1.980
130 HB1 ALA 18 HB1 ALA 18 -2.711 -4.129 -3.616
131 HB2 ALA 18 HB2 ALA 18 -4.423 -3.764 -3.818
132 HB3 ALA 18 HB3 ALA 18 -3.930 -5.263 -3.028
133 H LYS 19 H LYS 19 -4.671 -4.848 0.040
134 HA LYS 19 HA LYS 19 -7.423 -4.430 -0.137
135 HB2 LYS 19 HB2 LYS 19 -7.408 -5.410 2.069
136 HB3 LYS 19 HB3 LYS 19 -6.176 -6.192 1.108
137 HG2 LYS 19 HG2 LYS 19 -4.558 -4.562 2.133
138 HG3 LYS 19 HG3 LYS 19 -5.824 -4.190 3.294
139 HD2 LYS 19 HD2 LYS 19 -4.933 -6.999 2.791
140 HD3 LYS 19 HD3 LYS 19 -4.074 -5.931 3.899
141 HE2 LYS 19 HE2 LYS 19 -7.025 -6.445 4.088
142 HE3 LYS 19 HE3 LYS 19 -5.837 -7.441 4.928
143 HZ1 LYS 19 HZ1 LYS 19 -6.288 -4.527 5.289
144 HZ2 LYS 19 HZ2 LYS 19 -5.037 -5.403 6.029
145 HZ3 LYS 19 HZ3 LYS 19 -6.653 -5.757 6.399
146 H VAL 20 H VAL 20 -4.877 -2.748 1.532
147 HA VAL 20 HA VAL 20 -6.693 -0.823 2.800
148 HB VAL 20 HB VAL 20 -4.801 -1.927 4.023
149 HG11 VAL 20 HG11 VAL 20 -3.305 -0.583 1.893
150 HG12 VAL 20 HG12 VAL 20 -3.000 -2.123 2.723
151 HG13 VAL 20 HG13 VAL 20 -2.574 -0.593 3.511
152 HG21 VAL 20 HG21 VAL 20 -5.764 0.101 4.914
153 HG22 VAL 20 HG22 VAL 20 -4.713 1.071 3.884
154 HG23 VAL 20 HG23 VAL 20 -4.021 0.093 5.179
155 H LEU 21 H LEU 21 -4.404 -1.227 0.358
156 HA LEU 21 HA LEU 21 -3.376 1.164 -0.314
157 HB2 LEU 21 HB2 LEU 21 -3.817 -1.342 -1.399
158 HB3 LEU 21 HB3 LEU 21 -4.376 -0.201 -2.611
159 HG LEU 21 HG LEU 21 -2.000 -0.977 -2.728
160 HD11 LEU 21 HD11 LEU 21 -2.692 1.961 -2.571
161 HD12 LEU 21 HD12 LEU 21 -2.799 0.925 -3.999
162 HD13 LEU 21 HD13 LEU 21 -1.222 1.336 -3.324
163 HD21 LEU 21 HD21 LEU 21 -1.809 -0.515 -0.149
164 HD22 LEU 21 HD22 LEU 21 -1.411 1.129 -0.687
165 HD23 LEU 21 HD23 LEU 21 -0.419 -0.239 -1.207
166 H ALA 22 H ALA 22 -6.230 -0.126 -1.886
167 HA ALA 22 HA ALA 22 -6.827 2.201 -3.377
168 HB1 ALA 22 HB1 ALA 22 -7.536 -0.009 -4.053
169 HB2 ALA 22 HB2 ALA 22 -8.912 1.086 -3.936
170 HB3 ALA 22 HB3 ALA 22 -8.616 -0.100 -2.662
171 H GLU 23 H GLU 23 -7.047 1.701 -0.250
172 HA GLU 23 HA GLU 23 -9.641 2.839 0.350
173 HB2 GLU 23 HB2 GLU 23 -7.522 1.804 2.184
174 HB3 GLU 23 HB3 GLU 23 -9.276 1.815 2.434
175 HG2 GLU 23 HG2 GLU 23 -8.369 0.398 0.049
176 HG3 GLU 23 HG3 GLU 23 -7.796 -0.295 1.557
177 H LYS 24 H LYS 24 -6.296 3.162 1.346
178 HA LYS 24 HA LYS 24 -6.752 5.790 2.531
179 HB2 LYS 24 HB2 LYS 24 -4.148 4.411 2.650
180 HB3 LYS 24 HB3 LYS 24 -5.027 5.235 3.899
181 HG2 LYS 24 HG2 LYS 24 -6.056 2.668 2.844
182 HG3 LYS 24 HG3 LYS 24 -4.710 2.653 3.972
183 HD2 LYS 24 HD2 LYS 24 -6.849 2.257 5.060
184 HD3 LYS 24 HD3 LYS 24 -6.077 3.734 5.664
185 HE2 LYS 24 HE2 LYS 24 -7.550 5.100 4.371
186 HE3 LYS 24 HE3 LYS 24 -8.175 3.695 3.515
187 HZ1 LYS 24 HZ1 LYS 24 -8.521 4.191 6.423
188 HZ2 LYS 24 HZ2 LYS 24 -9.203 2.920 5.528
189 HZ3 LYS 24 HZ3 LYS 24 -9.690 4.514 5.240
190 H TYR 25 H TYR 25 -4.556 4.097 0.422
191 HA TYR 25 HA TYR 25 -2.945 6.410 -0.025
192 HB2 TYR 25 HB2 TYR 25 -2.820 3.645 -1.178
193 HB3 TYR 25 HB3 TYR 25 -1.505 4.796 -1.182
194 HD1 TYR 25 HD1 TYR 25 -3.767 2.921 0.869
195 HD2 TYR 25 HD2 TYR 25 0.074 4.676 0.640
196 HE1 TYR 25 HE1 TYR 25 -3.175 1.831 2.903
197 HE2 TYR 25 HE2 TYR 25 0.711 3.589 2.766
198 HH TYR 25 HH TYR 25 -0.276 2.605 4.690
199 H ALA 26 H ALA 26 -4.536 3.949 -1.979
200 HA ALA 26 HA ALA 26 -4.447 5.447 -4.425
201 HB1 ALA 26 HB1 ALA 26 -6.021 3.017 -3.584
202 HB2 ALA 26 HB2 ALA 26 -4.470 3.031 -4.428
203 HB3 ALA 26 HB3 ALA 26 -5.921 3.624 -5.242
204 H ASN 27 H ASN 27 -6.433 5.375 -1.698
205 HA ASN 27 HA ASN 27 -8.933 6.157 -2.413
206 HB2 ASN 27 HB2 ASN 27 -8.195 5.865 -0.125
207 HB3 ASN 27 HB3 ASN 27 -7.181 7.291 -0.233
208 HD21 ASN 27 HD21 ASN 27 -10.419 7.052 -1.577
209 HD22 ASN 27 HD22 ASN 27 -11.157 8.174 -0.483
Start of MODEL 3
1 H1 GLY 1 H1 GLY 1 14.950 -1.109 -1.339
2 H2 GLY 1 H2 GLY 1 16.599 -1.465 -1.169
3 H3 GLY 1 H3 GLY 1 15.998 -0.905 -2.655
4 HA2 GLY 1 HA3 GLY 1 17.170 0.851 -1.482
5 HA3 GLY 1 HA2 GLY 1 15.463 1.226 -1.683
6 H ILE 2 H ILE 2 14.076 1.117 0.115
7 HA ILE 2 HA ILE 2 15.464 0.979 2.699
8 HB ILE 2 HB ILE 2 13.002 2.563 1.947
9 HG12 ILE 2 HG12 ILE 2 15.788 3.491 2.678
10 HG13 ILE 2 HG13 ILE 2 15.084 3.517 1.063
11 HG21 ILE 2 HG21 ILE 2 12.864 1.730 4.201
12 HG22 ILE 2 HG22 ILE 2 13.129 3.475 4.205
13 HG23 ILE 2 HG23 ILE 2 14.462 2.379 4.566
14 HD11 ILE 2 HD11 ILE 2 14.065 5.067 3.433
15 HD12 ILE 2 HD12 ILE 2 13.408 5.112 1.797
16 HD13 ILE 2 HD13 ILE 2 15.036 5.716 2.113
17 H GLY 3 H GLY 3 12.033 1.065 1.952
18 HA2 GLY 3 HA2 GLY 3 11.242 -1.502 1.952
19 HA3 GLY 3 HA3 GLY 3 11.534 -1.188 3.655
20 H GLY 4 H GLY 4 10.384 0.517 4.665
21 HA2 GLY 4 HA2 GLY 4 7.618 0.521 3.794
22 HA3 GLY 4 HA3 GLY 4 8.231 1.099 5.336
23 H VAL 5 H VAL 5 9.156 1.971 2.052
24 HA VAL 5 HA VAL 5 8.581 4.770 2.719
25 HB VAL 5 HB VAL 5 10.891 4.624 2.326
26 HG11 VAL 5 HG11 VAL 5 11.920 3.424 0.459
27 HG12 VAL 5 HG12 VAL 5 10.325 2.912 -0.098
28 HG13 VAL 5 HG13 VAL 5 10.943 2.339 1.451
29 HG21 VAL 5 HG21 VAL 5 9.761 5.310 -0.377
30 HG22 VAL 5 HG22 VAL 5 11.292 5.871 0.311
31 HG23 VAL 5 HG23 VAL 5 9.760 6.400 1.012
32 H LEU 6 H LEU 6 8.601 2.512 -0.014
33 HA LEU 6 HA LEU 6 6.006 2.956 -0.856
34 HB2 LEU 6 HB2 LEU 6 6.088 4.436 -2.674
35 HB3 LEU 6 HB3 LEU 6 6.966 5.253 -1.410
36 HG LEU 6 HG LEU 6 8.155 5.733 -3.353
37 HD11 LEU 6 HD11 LEU 6 10.302 4.527 -3.200
38 HD12 LEU 6 HD12 LEU 6 9.548 3.408 -2.057
39 HD13 LEU 6 HD13 LEU 6 9.697 5.120 -1.652
40 HD21 LEU 6 HD21 LEU 6 7.085 4.187 -4.869
41 HD22 LEU 6 HD22 LEU 6 7.964 2.835 -4.150
42 HD23 LEU 6 HD23 LEU 6 8.839 4.085 -5.034
43 H LEU 7 H LEU 7 9.215 2.028 -1.309
44 HA LEU 7 HA LEU 7 9.040 0.546 -3.691
45 HB2 LEU 7 HB2 LEU 7 11.086 1.271 -2.232
46 HB3 LEU 7 HB3 LEU 7 10.838 -0.276 -1.436
47 HG LEU 7 HG LEU 7 12.529 -0.561 -3.079
48 HD11 LEU 7 HD11 LEU 7 11.417 -2.101 -4.743
49 HD12 LEU 7 HD12 LEU 7 9.876 -1.651 -3.994
50 HD13 LEU 7 HD13 LEU 7 11.122 -2.461 -3.042
51 HD21 LEU 7 HD21 LEU 7 11.836 1.522 -4.287
52 HD22 LEU 7 HD22 LEU 7 10.656 0.533 -5.153
53 HD23 LEU 7 HD23 LEU 7 12.382 0.190 -5.310
54 H SER 8 H SER 8 9.450 -0.966 -0.485
55 HA SER 8 HA SER 8 7.991 -3.272 -1.555
56 HB2 SER 8 HB2 SER 8 8.865 -4.232 0.771
57 HB3 SER 8 HB3 SER 8 9.922 -4.145 -0.643
58 HG SER 8 HG SER 8 11.079 -3.180 0.937
59 H ALA 9 H ALA 9 7.785 -0.666 0.556
60 HA ALA 9 HA ALA 9 5.407 -1.166 1.882
61 HB1 ALA 9 HB1 ALA 9 5.058 1.360 1.228
62 HB2 ALA 9 HB2 ALA 9 6.720 1.205 0.629
63 HB3 ALA 9 HB3 ALA 9 6.353 0.890 2.329
64 H GLY 10 H GLY 10 6.166 -0.721 -1.508
65 HA2 GLY 10 HA2 GLY 10 3.368 -0.604 -2.281
66 HA3 GLY 10 HA3 GLY 10 4.751 -0.534 -3.360
67 H LYS 11 H LYS 11 6.115 -2.759 -2.537
68 HA LYS 11 HA LYS 11 4.970 -4.891 -3.873
69 HB2 LYS 11 HB2 LYS 11 7.202 -4.467 -2.035
70 HB3 LYS 11 HB3 LYS 11 6.600 -6.116 -2.064
71 HG2 LYS 11 HG2 LYS 11 8.270 -6.188 -3.626
72 HG3 LYS 11 HG3 LYS 11 6.846 -5.890 -4.615
73 HD2 LYS 11 HD2 LYS 11 8.566 -3.639 -3.618
74 HD3 LYS 11 HD3 LYS 11 8.961 -4.512 -5.099
75 HE2 LYS 11 HE2 LYS 11 6.261 -3.298 -4.631
76 HE3 LYS 11 HE3 LYS 11 7.595 -2.359 -5.304
77 HZ1 LYS 11 HZ1 LYS 11 7.707 -3.778 -7.174
78 HZ2 LYS 11 HZ2 LYS 11 6.067 -3.397 -6.969
79 HZ3 LYS 11 HZ3 LYS 11 6.656 -4.915 -6.489
80 H ALA 12 H ALA 12 4.632 -3.911 -0.547
81 HA ALA 12 HA ALA 12 3.446 -6.291 0.376
82 HB1 ALA 12 HB1 ALA 12 2.800 -5.020 2.332
83 HB2 ALA 12 HB2 ALA 12 3.132 -3.508 1.486
84 HB3 ALA 12 HB3 ALA 12 4.452 -4.615 1.867
85 H ALA 13 H ALA 13 2.134 -3.391 -1.118
86 HA ALA 13 HA ALA 13 -0.586 -3.981 -0.551
87 HB1 ALA 13 HB1 ALA 13 0.388 -2.276 -2.828
88 HB2 ALA 13 HB2 ALA 13 0.251 -1.706 -1.164
89 HB3 ALA 13 HB3 ALA 13 -1.200 -2.235 -2.036
90 H LEU 14 H LEU 14 1.580 -4.708 -3.237
91 HA LEU 14 HA LEU 14 -0.102 -5.871 -5.078
92 HB2 LEU 14 HB2 LEU 14 2.554 -6.818 -4.026
93 HB3 LEU 14 HB3 LEU 14 1.729 -7.646 -5.323
94 HG LEU 14 HG LEU 14 2.342 -6.106 -6.872
95 HD11 LEU 14 HD11 LEU 14 2.390 -3.961 -4.749
96 HD12 LEU 14 HD12 LEU 14 1.082 -4.239 -5.899
97 HD13 LEU 14 HD13 LEU 14 2.669 -3.722 -6.474
98 HD21 LEU 14 HD21 LEU 14 4.393 -6.880 -6.001
99 HD22 LEU 14 HD22 LEU 14 4.290 -5.804 -4.610
100 HD23 LEU 14 HD23 LEU 14 4.585 -5.140 -6.221
101 H LYS 15 H LYS 15 0.950 -7.079 -1.982
102 HA LYS 15 HA LYS 15 -0.243 -9.670 -2.444
103 HB2 LYS 15 HB2 LYS 15 1.331 -8.662 -0.098
104 HB3 LYS 15 HB3 LYS 15 1.016 -10.344 -0.519
105 HG2 LYS 15 HG2 LYS 15 2.602 -8.380 -2.159
106 HG3 LYS 15 HG3 LYS 15 3.293 -9.650 -1.127
107 HD2 LYS 15 HD2 LYS 15 2.199 -11.352 -2.489
108 HD3 LYS 15 HD3 LYS 15 1.449 -10.086 -3.463
109 HE2 LYS 15 HE2 LYS 15 3.401 -11.070 -4.571
110 HE3 LYS 15 HE3 LYS 15 3.601 -9.351 -4.236
111 HZ1 LYS 15 HZ1 LYS 15 5.098 -9.783 -2.517
112 HZ2 LYS 15 HZ2 LYS 15 5.547 -10.891 -3.723
113 HZ3 LYS 15 HZ3 LYS 15 4.643 -11.412 -2.384
114 H GLY 16 H GLY 16 -0.114 -7.450 0.348
115 HA2 GLY 16 HA2 GLY 16 -2.805 -8.345 1.080
116 HA3 GLY 16 HA3 GLY 16 -1.609 -7.742 2.208
117 H LEU 17 H LEU 17 -0.699 -5.551 1.238
118 HA LEU 17 HA LEU 17 -2.636 -3.948 2.327
119 HB2 LEU 17 HB2 LEU 17 0.106 -3.465 1.367
120 HB3 LEU 17 HB3 LEU 17 -0.945 -2.070 1.624
121 HG LEU 17 HG LEU 17 -1.374 -3.593 3.877
122 HD11 LEU 17 HD11 LEU 17 1.551 -3.679 3.224
123 HD12 LEU 17 HD12 LEU 17 0.450 -5.054 3.350
124 HD13 LEU 17 HD13 LEU 17 0.825 -4.087 4.780
125 HD21 LEU 17 HD21 LEU 17 0.441 -1.237 3.432
126 HD22 LEU 17 HD22 LEU 17 -0.060 -1.829 5.017
127 HD23 LEU 17 HD23 LEU 17 -1.272 -1.214 3.883
128 H ALA 18 H ALA 18 -2.575 -4.782 -0.928
129 HA ALA 18 HA ALA 18 -3.633 -2.347 -1.888
130 HB1 ALA 18 HB1 ALA 18 -4.991 -3.808 -3.466
131 HB2 ALA 18 HB2 ALA 18 -4.201 -5.191 -2.697
132 HB3 ALA 18 HB3 ALA 18 -3.236 -3.965 -3.531
133 H LYS 19 H LYS 19 -4.635 -4.582 0.445
134 HA LYS 19 HA LYS 19 -7.413 -4.315 0.553
135 HB2 LYS 19 HB2 LYS 19 -7.133 -5.295 2.729
136 HB3 LYS 19 HB3 LYS 19 -5.974 -6.014 1.654
137 HG2 LYS 19 HG2 LYS 19 -4.716 -5.718 3.532
138 HG3 LYS 19 HG3 LYS 19 -4.358 -4.250 2.623
139 HD2 LYS 19 HD2 LYS 19 -4.753 -3.693 4.935
140 HD3 LYS 19 HD3 LYS 19 -6.053 -3.056 3.929
141 HE2 LYS 19 HE2 LYS 19 -7.381 -5.101 4.531
142 HE3 LYS 19 HE3 LYS 19 -6.119 -5.491 5.698
143 HZ1 LYS 19 HZ1 LYS 19 -7.761 -4.354 6.896
144 HZ2 LYS 19 HZ2 LYS 19 -7.961 -3.174 5.697
145 HZ3 LYS 19 HZ3 LYS 19 -6.548 -3.191 6.638
146 H VAL 20 H VAL 20 -4.784 -2.427 1.784
147 HA VAL 20 HA VAL 20 -6.541 -0.537 3.182
148 HB VAL 20 HB VAL 20 -4.407 -1.310 4.186
149 HG11 VAL 20 HG11 VAL 20 -2.891 -1.549 2.525
150 HG12 VAL 20 HG12 VAL 20 -2.381 0.005 3.215
151 HG13 VAL 20 HG13 VAL 20 -3.368 -0.038 1.737
152 HG21 VAL 20 HG21 VAL 20 -4.551 1.646 3.694
153 HG22 VAL 20 HG22 VAL 20 -3.675 0.858 5.004
154 HG23 VAL 20 HG23 VAL 20 -5.435 0.766 4.940
155 H LEU 21 H LEU 21 -4.653 -0.972 0.434
156 HA LEU 21 HA LEU 21 -3.995 1.443 -0.570
157 HB2 LEU 21 HB2 LEU 21 -4.316 -1.182 -1.383
158 HB3 LEU 21 HB3 LEU 21 -5.155 -0.204 -2.579
159 HG LEU 21 HG LEU 21 -2.757 -0.748 -3.009
160 HD11 LEU 21 HD11 LEU 21 -3.915 1.012 -4.219
161 HD12 LEU 21 HD12 LEU 21 -2.285 1.573 -3.832
162 HD13 LEU 21 HD13 LEU 21 -3.666 2.132 -2.878
163 HD21 LEU 21 HD21 LEU 21 -2.225 -0.163 -0.526
164 HD22 LEU 21 HD22 LEU 21 -2.112 1.494 -1.136
165 HD23 LEU 21 HD23 LEU 21 -1.046 0.241 -1.782
166 H ALA 22 H ALA 22 -6.904 -0.259 -1.542
167 HA ALA 22 HA ALA 22 -7.948 1.833 -3.128
168 HB1 ALA 22 HB1 ALA 22 -8.534 -0.509 -3.437
169 HB2 ALA 22 HB2 ALA 22 -9.963 0.506 -3.255
170 HB3 ALA 22 HB3 ALA 22 -9.409 -0.485 -1.903
171 H GLU 23 H GLU 23 -7.651 1.661 0.038
172 HA GLU 23 HA GLU 23 -10.223 2.647 0.929
173 HB2 GLU 23 HB2 GLU 23 -7.750 2.049 2.485
174 HB3 GLU 23 HB3 GLU 23 -9.432 1.908 3.013
175 HG2 GLU 23 HG2 GLU 23 -8.757 0.300 0.674
176 HG3 GLU 23 HG3 GLU 23 -7.835 -0.124 2.105
177 H LYS 24 H LYS 24 -6.817 3.349 1.320
178 HA LYS 24 HA LYS 24 -7.314 6.071 2.242
179 HB2 LYS 24 HB2 LYS 24 -4.605 4.943 2.061
180 HB3 LYS 24 HB3 LYS 24 -5.360 5.815 3.355
181 HG2 LYS 24 HG2 LYS 24 -6.270 3.057 2.768
182 HG3 LYS 24 HG3 LYS 24 -4.730 3.285 3.585
183 HD2 LYS 24 HD2 LYS 24 -6.541 2.823 5.142
184 HD3 LYS 24 HD3 LYS 24 -5.831 4.418 5.427
185 HE2 LYS 24 HE2 LYS 24 -8.186 4.266 3.637
186 HE3 LYS 24 HE3 LYS 24 -8.464 3.987 5.354
187 HZ1 LYS 24 HZ1 LYS 24 -8.762 6.308 4.839
188 HZ2 LYS 24 HZ2 LYS 24 -7.226 6.403 4.138
189 HZ3 LYS 24 HZ3 LYS 24 -7.378 6.130 5.800
190 H TYR 25 H TYR 25 -5.333 4.266 0.008
191 HA TYR 25 HA TYR 25 -4.027 6.609 -0.955
192 HB2 TYR 25 HB2 TYR 25 -3.805 3.754 -1.825
193 HB3 TYR 25 HB3 TYR 25 -2.609 4.996 -2.107
194 HD1 TYR 25 HD1 TYR 25 -4.424 3.183 0.408
195 HD2 TYR 25 HD2 TYR 25 -0.796 5.145 -0.530
196 HE1 TYR 25 HE1 TYR 25 -3.466 2.331 2.420
197 HE2 TYR 25 HE2 TYR 25 0.210 4.308 1.563
198 HH TYR 25 HH TYR 25 -1.243 1.838 3.403
199 H ALA 26 H ALA 26 -5.626 3.809 -2.364
200 HA ALA 26 HA ALA 26 -6.015 4.969 -4.952
201 HB1 ALA 26 HB1 ALA 26 -5.805 2.578 -4.666
202 HB2 ALA 26 HB2 ALA 26 -7.402 2.944 -5.326
203 HB3 ALA 26 HB3 ALA 26 -7.219 2.552 -3.610
204 H ASN 27 H ASN 27 -7.636 5.048 -1.972
205 HA ASN 27 HA ASN 27 -10.249 5.583 -2.433
206 HB2 ASN 27 HB2 ASN 27 -9.254 5.648 -0.232
207 HB3 ASN 27 HB3 ASN 27 -8.328 7.081 -0.653
208 HD21 ASN 27 HD21 ASN 27 -9.304 9.071 -0.638
209 HD22 ASN 27 HD22 ASN 27 -10.904 9.339 -0.025
Start of MODEL 4
1 H1 GLY 1 H1 GLY 1 16.005 0.192 -3.092
2 H2 GLY 1 H2 GLY 1 17.258 1.325 -2.979
3 H3 GLY 1 H3 GLY 1 16.188 1.378 -4.294
4 HA2 GLY 1 HA3 GLY 1 15.591 3.112 -2.795
5 HA3 GLY 1 HA2 GLY 1 14.350 1.867 -2.756
6 H ILE 2 H ILE 2 13.689 2.540 -0.670
7 HA ILE 2 HA ILE 2 15.633 2.140 1.487
8 HB ILE 2 HB ILE 2 12.874 3.373 1.542
9 HG12 ILE 2 HG12 ILE 2 14.415 4.836 0.410
10 HG13 ILE 2 HG13 ILE 2 14.112 5.479 2.018
11 HG21 ILE 2 HG21 ILE 2 13.388 2.262 3.615
12 HG22 ILE 2 HG22 ILE 2 13.406 4.017 3.834
13 HG23 ILE 2 HG23 ILE 2 14.925 3.126 3.725
14 HD11 ILE 2 HD11 ILE 2 16.557 3.930 1.178
15 HD12 ILE 2 HD12 ILE 2 16.249 4.583 2.789
16 HD13 ILE 2 HD13 ILE 2 16.454 5.674 1.416
17 H GLY 3 H GLY 3 12.141 1.768 1.518
18 HA2 GLY 3 HA2 GLY 3 11.749 -0.864 1.161
19 HA3 GLY 3 HA3 GLY 3 12.325 -0.784 2.816
20 H GLY 4 H GLY 4 11.159 0.556 4.309
21 HA2 GLY 4 HA2 GLY 4 8.323 0.089 4.020
22 HA3 GLY 4 HA3 GLY 4 9.148 0.662 5.463
23 H VAL 5 H VAL 5 9.027 1.893 2.184
24 HA VAL 5 HA VAL 5 8.091 4.474 3.233
25 HB VAL 5 HB VAL 5 10.241 4.933 2.510
26 HG11 VAL 5 HG11 VAL 5 11.284 4.001 0.499
27 HG12 VAL 5 HG12 VAL 5 9.797 3.117 0.134
28 HG13 VAL 5 HG13 VAL 5 10.725 2.723 1.579
29 HG21 VAL 5 HG21 VAL 5 8.642 5.306 -0.007
30 HG22 VAL 5 HG22 VAL 5 10.067 6.228 0.493
31 HG23 VAL 5 HG23 VAL 5 8.557 6.369 1.399
32 H LEU 6 H LEU 6 8.212 2.612 0.227
33 HA LEU 6 HA LEU 6 5.429 2.710 -0.225
34 HB2 LEU 6 HB2 LEU 6 5.212 4.234 -1.986
35 HB3 LEU 6 HB3 LEU 6 6.197 5.075 -0.819
36 HG LEU 6 HG LEU 6 7.090 5.651 -2.888
37 HD11 LEU 6 HD11 LEU 6 9.317 4.635 -3.003
38 HD12 LEU 6 HD12 LEU 6 8.795 3.418 -1.836
39 HD13 LEU 6 HD13 LEU 6 8.852 5.120 -1.372
40 HD21 LEU 6 HD21 LEU 6 7.020 2.756 -3.697
41 HD22 LEU 6 HD22 LEU 6 7.684 4.078 -4.660
42 HD23 LEU 6 HD23 LEU 6 5.960 4.041 -4.280
43 H LEU 7 H LEU 7 8.595 1.891 -0.822
44 HA LEU 7 HA LEU 7 8.286 0.480 -3.257
45 HB2 LEU 7 HB2 LEU 7 10.421 1.407 -2.556
46 HB3 LEU 7 HB3 LEU 7 10.422 0.382 -1.134
47 HG LEU 7 HG LEU 7 11.857 -0.240 -3.225
48 HD11 LEU 7 HD11 LEU 7 10.140 -2.215 -1.759
49 HD12 LEU 7 HD12 LEU 7 11.590 -1.456 -1.115
50 HD13 LEU 7 HD13 LEU 7 11.707 -2.549 -2.503
51 HD21 LEU 7 HD21 LEU 7 10.649 -1.864 -4.662
52 HD22 LEU 7 HD22 LEU 7 10.076 -0.209 -4.866
53 HD23 LEU 7 HD23 LEU 7 9.132 -1.357 -3.911
54 H SER 8 H SER 8 8.870 -0.789 0.086
55 HA SER 8 HA SER 8 7.727 -3.307 -0.907
56 HB2 SER 8 HB2 SER 8 8.486 -4.265 1.298
57 HB3 SER 8 HB3 SER 8 9.787 -3.701 0.251
58 HG SER 8 HG SER 8 9.051 -2.830 2.740
59 H ALA 9 H ALA 9 7.139 -0.612 1.038
60 HA ALA 9 HA ALA 9 4.714 -1.223 2.201
61 HB1 ALA 9 HB1 ALA 9 4.192 1.209 1.420
62 HB2 ALA 9 HB2 ALA 9 5.874 1.186 0.852
63 HB3 ALA 9 HB3 ALA 9 5.508 0.925 2.562
64 H GLY 10 H GLY 10 5.658 -0.805 -1.164
65 HA2 GLY 10 HA2 GLY 10 2.952 -1.130 -2.135
66 HA3 GLY 10 HA3 GLY 10 4.401 -1.027 -3.119
67 H LYS 11 H LYS 11 5.901 -3.012 -1.953
68 HA LYS 11 HA LYS 11 5.160 -5.331 -3.210
69 HB2 LYS 11 HB2 LYS 11 7.102 -4.488 -1.242
70 HB3 LYS 11 HB3 LYS 11 6.645 -6.173 -1.034
71 HG2 LYS 11 HG2 LYS 11 8.470 -6.320 -2.412
72 HG3 LYS 11 HG3 LYS 11 7.126 -6.354 -3.546
73 HD2 LYS 11 HD2 LYS 11 8.498 -3.786 -2.839
74 HD3 LYS 11 HD3 LYS 11 9.142 -4.852 -4.089
75 HE2 LYS 11 HE2 LYS 11 6.303 -3.878 -4.086
76 HE3 LYS 11 HE3 LYS 11 7.610 -2.975 -4.856
77 HZ1 LYS 11 HZ1 LYS 11 6.401 -4.431 -6.415
78 HZ2 LYS 11 HZ2 LYS 11 6.896 -5.789 -5.520
79 HZ3 LYS 11 HZ3 LYS 11 8.047 -4.822 -6.304
80 H ALA 12 H ALA 12 4.456 -4.368 0.120
81 HA ALA 12 HA ALA 12 3.217 -6.830 0.802
82 HB1 ALA 12 HB1 ALA 12 2.437 -5.687 2.792
83 HB2 ALA 12 HB2 ALA 12 2.835 -4.124 2.081
84 HB3 ALA 12 HB3 ALA 12 4.121 -5.262 2.479
85 H ALA 13 H ALA 13 2.091 -3.846 -0.628
86 HA ALA 13 HA ALA 13 -0.680 -4.310 -0.290
87 HB1 ALA 13 HB1 ALA 13 -1.071 -2.525 -1.824
88 HB2 ALA 13 HB2 ALA 13 0.579 -2.648 -2.464
89 HB3 ALA 13 HB3 ALA 13 0.314 -2.083 -0.814
90 H LEU 14 H LEU 14 1.603 -5.080 -2.890
91 HA LEU 14 HA LEU 14 -0.148 -6.019 -4.827
92 HB2 LEU 14 HB2 LEU 14 2.358 -7.511 -4.146
93 HB3 LEU 14 HB3 LEU 14 1.658 -7.206 -5.724
94 HG LEU 14 HG LEU 14 2.715 -4.940 -4.083
95 HD11 LEU 14 HD11 LEU 14 4.433 -6.668 -4.133
96 HD12 LEU 14 HD12 LEU 14 4.887 -5.252 -5.086
97 HD13 LEU 14 HD13 LEU 14 4.331 -6.717 -5.898
98 HD21 LEU 14 HD21 LEU 14 1.410 -4.432 -6.090
99 HD22 LEU 14 HD22 LEU 14 2.506 -5.422 -7.054
100 HD23 LEU 14 HD23 LEU 14 3.095 -3.950 -6.277
101 H LYS 15 H LYS 15 0.783 -7.389 -1.783
102 HA LYS 15 HA LYS 15 -0.346 -9.972 -2.441
103 HB2 LYS 15 HB2 LYS 15 0.967 -9.047 0.092
104 HB3 LYS 15 HB3 LYS 15 0.686 -10.713 -0.404
105 HG2 LYS 15 HG2 LYS 15 2.491 -8.735 -1.754
106 HG3 LYS 15 HG3 LYS 15 3.023 -10.066 -0.723
107 HD2 LYS 15 HD2 LYS 15 1.584 -10.250 -3.368
108 HD3 LYS 15 HD3 LYS 15 3.281 -10.641 -3.066
109 HE2 LYS 15 HE2 LYS 15 2.711 -12.498 -1.724
110 HE3 LYS 15 HE3 LYS 15 1.024 -11.994 -1.645
111 HZ1 LYS 15 HZ1 LYS 15 1.300 -13.825 -3.174
112 HZ2 LYS 15 HZ2 LYS 15 2.446 -12.952 -4.069
113 HZ3 LYS 15 HZ3 LYS 15 0.833 -12.434 -4.022
114 H GLY 16 H GLY 16 -0.521 -7.846 0.413
115 HA2 GLY 16 HA2 GLY 16 -3.325 -8.634 0.759
116 HA3 GLY 16 HA3 GLY 16 -2.267 -8.134 2.058
117 H LEU 17 H LEU 17 -1.127 -5.971 1.299
118 HA LEU 17 HA LEU 17 -3.094 -4.332 2.261
119 HB2 LEU 17 HB2 LEU 17 -0.247 -3.933 1.618
120 HB3 LEU 17 HB3 LEU 17 -1.267 -2.521 1.917
121 HG LEU 17 HG LEU 17 -1.953 -4.282 3.945
122 HD11 LEU 17 HD11 LEU 17 0.166 -4.857 5.000
123 HD12 LEU 17 HD12 LEU 17 1.022 -4.293 3.563
124 HD13 LEU 17 HD13 LEU 17 -0.072 -5.675 3.454
125 HD21 LEU 17 HD21 LEU 17 -1.878 -1.913 4.190
126 HD22 LEU 17 HD22 LEU 17 -0.126 -1.893 3.928
127 HD23 LEU 17 HD23 LEU 17 -0.789 -2.637 5.384
128 H ALA 18 H ALA 18 -2.673 -4.973 -1.007
129 HA ALA 18 HA ALA 18 -3.435 -2.412 -1.916
130 HB1 ALA 18 HB1 ALA 18 -4.617 -3.667 -3.782
131 HB2 ALA 18 HB2 ALA 18 -4.010 -5.146 -3.027
132 HB3 ALA 18 HB3 ALA 18 -2.882 -3.912 -3.608
133 H LYS 19 H LYS 19 -4.895 -4.729 0.072
134 HA LYS 19 HA LYS 19 -7.639 -4.261 -0.225
135 HB2 LYS 19 HB2 LYS 19 -7.784 -5.461 1.827
136 HB3 LYS 19 HB3 LYS 19 -6.456 -6.140 0.930
137 HG2 LYS 19 HG2 LYS 19 -5.622 -6.086 3.063
138 HG3 LYS 19 HG3 LYS 19 -4.983 -4.601 2.356
139 HD2 LYS 19 HD2 LYS 19 -5.824 -4.240 4.627
140 HD3 LYS 19 HD3 LYS 19 -6.712 -3.307 3.423
141 HE2 LYS 19 HE2 LYS 19 -8.280 -4.228 4.996
142 HE3 LYS 19 HE3 LYS 19 -8.477 -5.049 3.449
143 HZ1 LYS 19 HZ1 LYS 19 -7.251 -6.923 4.284
144 HZ2 LYS 19 HZ2 LYS 19 -8.516 -6.568 5.359
145 HZ3 LYS 19 HZ3 LYS 19 -6.929 -6.123 5.746
146 H VAL 20 H VAL 20 -5.116 -2.672 1.516
147 HA VAL 20 HA VAL 20 -6.936 -0.752 2.781
148 HB VAL 20 HB VAL 20 -5.037 -1.765 4.032
149 HG11 VAL 20 HG11 VAL 20 -3.529 -0.340 1.923
150 HG12 VAL 20 HG12 VAL 20 -3.312 -1.979 2.569
151 HG13 VAL 20 HG13 VAL 20 -2.805 -0.576 3.526
152 HG21 VAL 20 HG21 VAL 20 -6.027 0.303 4.821
153 HG22 VAL 20 HG22 VAL 20 -4.954 1.228 3.772
154 HG23 VAL 20 HG23 VAL 20 -4.289 0.297 5.114
155 H LEU 21 H LEU 21 -4.596 -1.125 0.360
156 HA LEU 21 HA LEU 21 -3.635 1.288 -0.323
157 HB2 LEU 21 HB2 LEU 21 -3.961 -1.245 -1.375
158 HB3 LEU 21 HB3 LEU 21 -4.513 -0.151 -2.630
159 HG LEU 21 HG LEU 21 -2.106 -0.825 -2.690
160 HD11 LEU 21 HD11 LEU 21 -2.914 2.081 -2.519
161 HD12 LEU 21 HD12 LEU 21 -2.915 1.060 -3.960
162 HD13 LEU 21 HD13 LEU 21 -1.387 1.531 -3.212
163 HD21 LEU 21 HD21 LEU 21 -0.593 -0.026 -1.117
164 HD22 LEU 21 HD22 LEU 21 -1.995 -0.403 -0.103
165 HD23 LEU 21 HD23 LEU 21 -1.676 1.267 -0.591
166 H ALA 22 H ALA 22 -6.409 -0.088 -1.974
167 HA ALA 22 HA ALA 22 -6.957 2.219 -3.529
168 HB1 ALA 22 HB1 ALA 22 -7.558 -0.052 -4.192
169 HB2 ALA 22 HB2 ALA 22 -8.934 1.048 -4.249
170 HB3 ALA 22 HB3 ALA 22 -8.769 -0.090 -2.910
171 H GLU 23 H GLU 23 -7.333 1.758 -0.426
172 HA GLU 23 HA GLU 23 -10.017 2.767 0.016
173 HB2 GLU 23 HB2 GLU 23 -7.969 1.791 1.961
174 HB3 GLU 23 HB3 GLU 23 -9.735 1.731 2.119
175 HG2 GLU 23 HG2 GLU 23 -8.511 0.376 -0.198
176 HG3 GLU 23 HG3 GLU 23 -8.232 -0.358 1.361
177 H LYS 24 H LYS 24 -6.756 3.195 1.200
178 HA LYS 24 HA LYS 24 -7.321 5.832 2.311
179 HB2 LYS 24 HB2 LYS 24 -4.691 4.537 2.593
180 HB3 LYS 24 HB3 LYS 24 -5.676 5.322 3.785
181 HG2 LYS 24 HG2 LYS 24 -6.563 2.721 2.688
182 HG3 LYS 24 HG3 LYS 24 -5.246 2.745 3.851
183 HD2 LYS 24 HD2 LYS 24 -7.432 2.266 4.853
184 HD3 LYS 24 HD3 LYS 24 -6.663 3.706 5.538
185 HE2 LYS 24 HE2 LYS 24 -8.534 4.088 3.270
186 HE3 LYS 24 HE3 LYS 24 -9.230 3.640 4.828
187 HZ1 LYS 24 HZ1 LYS 24 -9.086 6.074 4.443
188 HZ2 LYS 24 HZ2 LYS 24 -7.397 5.946 4.427
189 HZ3 LYS 24 HZ3 LYS 24 -8.256 5.561 5.833
190 H TYR 25 H TYR 25 -4.934 4.150 0.402
191 HA TYR 25 HA TYR 25 -3.363 6.488 0.005
192 HB2 TYR 25 HB2 TYR 25 -3.086 3.738 -1.143
193 HB3 TYR 25 HB3 TYR 25 -1.804 4.919 -1.015
194 HD1 TYR 25 HD1 TYR 25 -4.210 3.007 0.850
195 HD2 TYR 25 HD2 TYR 25 -0.343 4.717 0.882
196 HE1 TYR 25 HE1 TYR 25 -3.740 1.854 2.883
197 HE2 TYR 25 HE2 TYR 25 0.166 3.562 3.006
198 HH TYR 25 HH TYR 25 -1.806 1.053 4.222
199 H ALA 26 H ALA 26 -4.768 3.984 -2.033
200 HA ALA 26 HA ALA 26 -4.504 5.446 -4.484
201 HB1 ALA 26 HB1 ALA 26 -6.156 3.028 -3.774
202 HB2 ALA 26 HB2 ALA 26 -4.509 3.014 -4.405
203 HB3 ALA 26 HB3 ALA 26 -5.834 3.600 -5.414
204 H ASN 27 H ASN 27 -6.726 5.359 -1.928
205 HA ASN 27 HA ASN 27 -9.132 6.200 -2.933
206 HB2 ASN 27 HB2 ASN 27 -8.675 5.805 -0.562
207 HB3 ASN 27 HB3 ASN 27 -7.668 7.243 -0.509
208 HD21 ASN 27 HD21 ASN 27 -10.720 6.965 -2.252
209 HD22 ASN 27 HD22 ASN 27 -11.583 8.115 -1.283
Start of MODEL 5
1 H1 GLY 1 H1 GLY 1 15.697 4.907 -3.377
2 H2 GLY 1 H2 GLY 1 16.514 5.431 -1.986
3 H3 GLY 1 H3 GLY 1 14.866 5.777 -2.181
4 HA2 GLY 1 HA3 GLY 1 14.322 3.433 -2.060
5 HA3 GLY 1 HA2 GLY 1 16.030 3.067 -1.859
6 H ILE 2 H ILE 2 13.149 3.634 -0.265
7 HA ILE 2 HA ILE 2 14.471 4.572 2.180
8 HB ILE 2 HB ILE 2 11.561 4.451 1.395
9 HG12 ILE 2 HG12 ILE 2 12.790 6.326 0.416
10 HG13 ILE 2 HG13 ILE 2 11.652 6.901 1.629
11 HG21 ILE 2 HG21 ILE 2 11.845 3.841 3.730
12 HG22 ILE 2 HG22 ILE 2 11.028 5.398 3.554
13 HG23 ILE 2 HG23 ILE 2 12.733 5.340 4.016
14 HD11 ILE 2 HD11 ILE 2 14.618 6.554 2.010
15 HD12 ILE 2 HD12 ILE 2 13.482 7.127 3.228
16 HD13 ILE 2 HD13 ILE 2 13.764 8.079 1.773
17 H GLY 3 H GLY 3 11.897 2.320 1.243
18 HA2 GLY 3 HA2 GLY 3 12.085 -0.019 1.758
19 HA3 GLY 3 HA3 GLY 3 12.948 0.406 3.222
20 H GLY 4 H GLY 4 10.855 2.659 3.461
21 HA2 GLY 4 HA2 GLY 4 8.482 1.110 4.143
22 HA3 GLY 4 HA3 GLY 4 9.269 2.003 5.439
23 H VAL 5 H VAL 5 7.953 2.422 2.171
24 HA VAL 5 HA VAL 5 6.990 5.063 2.947
25 HB VAL 5 HB VAL 5 9.046 5.681 2.052
26 HG11 VAL 5 HG11 VAL 5 9.999 4.776 -0.021
27 HG12 VAL 5 HG12 VAL 5 8.623 3.681 -0.161
28 HG13 VAL 5 HG13 VAL 5 9.742 3.522 1.192
29 HG21 VAL 5 HG21 VAL 5 7.225 5.735 -0.338
30 HG22 VAL 5 HG22 VAL 5 8.565 6.840 0.008
31 HG23 VAL 5 HG23 VAL 5 7.118 6.863 1.021
32 H LEU 6 H LEU 6 7.218 2.897 0.112
33 HA LEU 6 HA LEU 6 4.451 2.605 -0.233
34 HB2 LEU 6 HB2 LEU 6 3.884 4.059 -1.971
35 HB3 LEU 6 HB3 LEU 6 4.784 5.061 -0.862
36 HG LEU 6 HG LEU 6 5.477 5.766 -2.969
37 HD11 LEU 6 HD11 LEU 6 7.818 5.013 -3.259
38 HD12 LEU 6 HD12 LEU 6 7.529 3.791 -2.017
39 HD13 LEU 6 HD13 LEU 6 7.408 5.503 -1.617
40 HD21 LEU 6 HD21 LEU 6 6.154 4.308 -4.804
41 HD22 LEU 6 HD22 LEU 6 4.488 4.009 -4.307
42 HD23 LEU 6 HD23 LEU 6 5.767 2.896 -3.820
43 H LEU 7 H LEU 7 7.652 2.296 -1.050
44 HA LEU 7 HA LEU 7 7.390 0.966 -3.548
45 HB2 LEU 7 HB2 LEU 7 9.366 2.251 -2.983
46 HB3 LEU 7 HB3 LEU 7 9.683 1.211 -1.609
47 HG LEU 7 HG LEU 7 11.062 0.916 -3.778
48 HD11 LEU 7 HD11 LEU 7 11.033 -0.467 -1.724
49 HD12 LEU 7 HD12 LEU 7 11.391 -1.379 -3.197
50 HD13 LEU 7 HD13 LEU 7 9.784 -1.459 -2.468
51 HD21 LEU 7 HD21 LEU 7 8.511 -0.561 -4.451
52 HD22 LEU 7 HD22 LEU 7 10.057 -0.815 -5.272
53 HD23 LEU 7 HD23 LEU 7 9.254 0.753 -5.367
54 H SER 8 H SER 8 8.316 -0.205 -0.278
55 HA SER 8 HA SER 8 7.768 -2.922 -1.247
56 HB2 SER 8 HB2 SER 8 8.728 -3.635 0.961
57 HB3 SER 8 HB3 SER 8 9.863 -2.750 -0.061
58 HG SER 8 HG SER 8 9.700 -2.093 2.238
59 H ALA 9 H ALA 9 6.598 -0.405 0.683
60 HA ALA 9 HA ALA 9 4.354 -1.546 1.841
61 HB1 ALA 9 HB1 ALA 9 4.683 0.728 2.232
62 HB2 ALA 9 HB2 ALA 9 3.338 0.741 1.084
63 HB3 ALA 9 HB3 ALA 9 4.990 1.071 0.527
64 H GLY 10 H GLY 10 5.226 -0.838 -1.496
65 HA2 GLY 10 HA2 GLY 10 2.667 -1.628 -2.559
66 HA3 GLY 10 HA3 GLY 10 4.115 -1.289 -3.489
67 H LYS 11 H LYS 11 5.862 -3.024 -2.248
68 HA LYS 11 HA LYS 11 5.498 -5.481 -3.420
69 HB2 LYS 11 HB2 LYS 11 7.225 -4.309 -1.388
70 HB3 LYS 11 HB3 LYS 11 7.006 -6.044 -1.184
71 HG2 LYS 11 HG2 LYS 11 8.903 -5.904 -2.485
72 HG3 LYS 11 HG3 LYS 11 7.623 -6.204 -3.652
73 HD2 LYS 11 HD2 LYS 11 8.600 -3.437 -3.009
74 HD3 LYS 11 HD3 LYS 11 9.340 -4.431 -4.263
75 HE2 LYS 11 HE2 LYS 11 6.419 -3.721 -4.170
76 HE3 LYS 11 HE3 LYS 11 7.625 -2.809 -5.080
77 HZ1 LYS 11 HZ1 LYS 11 7.044 -5.695 -5.496
78 HZ2 LYS 11 HZ2 LYS 11 8.071 -4.716 -6.428
79 HZ3 LYS 11 HZ3 LYS 11 6.398 -4.436 -6.433
80 H ALA 12 H ALA 12 4.498 -4.404 -0.217
81 HA ALA 12 HA ALA 12 3.424 -6.969 0.493
82 HB1 ALA 12 HB1 ALA 12 4.245 -5.378 2.176
83 HB2 ALA 12 HB2 ALA 12 2.563 -5.828 2.460
84 HB3 ALA 12 HB3 ALA 12 2.949 -4.263 1.743
85 H ALA 13 H ALA 13 2.277 -4.097 -1.086
86 HA ALA 13 HA ALA 13 -0.489 -4.552 -0.679
87 HB1 ALA 13 HB1 ALA 13 -0.918 -2.759 -2.167
88 HB2 ALA 13 HB2 ALA 13 0.687 -2.901 -2.898
89 HB3 ALA 13 HB3 ALA 13 0.525 -2.328 -1.237
90 H LEU 14 H LEU 14 1.782 -5.593 -3.187
91 HA LEU 14 HA LEU 14 -0.025 -6.539 -5.089
92 HB2 LEU 14 HB2 LEU 14 2.471 -7.971 -4.154
93 HB3 LEU 14 HB3 LEU 14 1.579 -8.349 -5.607
94 HG LEU 14 HG LEU 14 3.125 -7.126 -6.628
95 HD11 LEU 14 HD11 LEU 14 2.716 -4.742 -6.789
96 HD12 LEU 14 HD12 LEU 14 1.695 -4.811 -5.350
97 HD13 LEU 14 HD13 LEU 14 1.205 -5.652 -6.823
98 HD21 LEU 14 HD21 LEU 14 3.711 -5.717 -4.036
99 HD22 LEU 14 HD22 LEU 14 4.677 -5.638 -5.511
100 HD23 LEU 14 HD23 LEU 14 4.520 -7.163 -4.635
101 H LYS 15 H LYS 15 0.864 -7.757 -1.958
102 HA LYS 15 HA LYS 15 -0.478 -10.268 -2.409
103 HB2 LYS 15 HB2 LYS 15 0.921 -9.284 0.055
104 HB3 LYS 15 HB3 LYS 15 0.577 -10.957 -0.380
105 HG2 LYS 15 HG2 LYS 15 2.405 -9.095 -1.869
106 HG3 LYS 15 HG3 LYS 15 2.932 -10.351 -0.734
107 HD2 LYS 15 HD2 LYS 15 2.012 -12.067 -2.164
108 HD3 LYS 15 HD3 LYS 15 1.326 -10.838 -3.231
109 HE2 LYS 15 HE2 LYS 15 3.523 -10.078 -3.840
110 HE3 LYS 15 HE3 LYS 15 4.268 -11.204 -2.707
111 HZ1 LYS 15 HZ1 LYS 15 2.695 -11.917 -5.124
112 HZ2 LYS 15 HZ2 LYS 15 3.323 -13.033 -4.011
113 HZ3 LYS 15 HZ3 LYS 15 4.374 -12.077 -4.932
114 H GLY 16 H GLY 16 -0.428 -7.953 0.291
115 HA2 GLY 16 HA2 GLY 16 -3.241 -8.583 0.818
116 HA3 GLY 16 HA3 GLY 16 -2.085 -8.094 2.042
117 H LEU 17 H LEU 17 -0.877 -6.035 1.163
118 HA LEU 17 HA LEU 17 -2.654 -4.253 2.244
119 HB2 LEU 17 HB2 LEU 17 0.124 -3.966 1.219
120 HB3 LEU 17 HB3 LEU 17 -0.776 -2.573 1.813
121 HG LEU 17 HG LEU 17 0.623 -3.393 3.590
122 HD11 LEU 17 HD11 LEU 17 -2.257 -4.153 4.037
123 HD12 LEU 17 HD12 LEU 17 -1.545 -2.557 4.264
124 HD13 LEU 17 HD13 LEU 17 -1.062 -3.896 5.308
125 HD21 LEU 17 HD21 LEU 17 0.409 -5.652 4.494
126 HD22 LEU 17 HD22 LEU 17 0.949 -5.681 2.817
127 HD23 LEU 17 HD23 LEU 17 -0.727 -6.063 3.209
128 H ALA 18 H ALA 18 -2.492 -4.961 -1.060
129 HA ALA 18 HA ALA 18 -3.211 -2.362 -1.930
130 HB1 ALA 18 HB1 ALA 18 -2.726 -3.896 -3.643
131 HB2 ALA 18 HB2 ALA 18 -4.444 -3.536 -3.786
132 HB3 ALA 18 HB3 ALA 18 -3.922 -5.055 -3.059
133 H LYS 19 H LYS 19 -4.645 -4.694 0.053
134 HA LYS 19 HA LYS 19 -7.388 -4.207 -0.134
135 HB2 LYS 19 HB2 LYS 19 -7.448 -5.341 1.985
136 HB3 LYS 19 HB3 LYS 19 -6.243 -6.094 0.986
137 HG2 LYS 19 HG2 LYS 19 -5.186 -6.049 3.009
138 HG3 LYS 19 HG3 LYS 19 -4.588 -4.575 2.249
139 HD2 LYS 19 HD2 LYS 19 -5.177 -4.172 4.568
140 HD3 LYS 19 HD3 LYS 19 -6.220 -3.265 3.476
141 HE2 LYS 19 HE2 LYS 19 -7.959 -4.983 3.747
142 HE3 LYS 19 HE3 LYS 19 -6.912 -5.847 4.872
143 HZ1 LYS 19 HZ1 LYS 19 -6.940 -3.878 6.311
144 HZ2 LYS 19 HZ2 LYS 19 -8.498 -4.509 6.071
145 HZ3 LYS 19 HZ3 LYS 19 -8.011 -3.112 5.240
146 H VAL 20 H VAL 20 -4.803 -2.635 1.505
147 HA VAL 20 HA VAL 20 -6.571 -0.724 2.870
148 HB VAL 20 HB VAL 20 -4.614 -1.819 4.000
149 HG11 VAL 20 HG11 VAL 20 -2.409 -0.573 3.482
150 HG12 VAL 20 HG12 VAL 20 -3.184 -0.310 1.901
151 HG13 VAL 20 HG13 VAL 20 -2.929 -1.958 2.507
152 HG21 VAL 20 HG21 VAL 20 -3.844 0.195 5.156
153 HG22 VAL 20 HG22 VAL 20 -5.594 0.185 4.935
154 HG23 VAL 20 HG23 VAL 20 -4.580 1.178 3.889
155 H LEU 21 H LEU 21 -4.336 -1.076 0.351
156 HA LEU 21 HA LEU 21 -3.376 1.346 -0.311
157 HB2 LEU 21 HB2 LEU 21 -3.771 -1.159 -1.410
158 HB3 LEU 21 HB3 LEU 21 -4.369 -0.025 -2.612
159 HG LEU 21 HG LEU 21 -1.984 -0.747 -2.768
160 HD11 LEU 21 HD11 LEU 21 -1.254 1.592 -3.337
161 HD12 LEU 21 HD12 LEU 21 -2.733 2.174 -2.563
162 HD13 LEU 21 HD13 LEU 21 -2.828 1.156 -4.000
163 HD21 LEU 21 HD21 LEU 21 -1.744 -0.334 -0.194
164 HD22 LEU 21 HD22 LEU 21 -1.422 1.338 -0.693
165 HD23 LEU 21 HD23 LEU 21 -0.388 0.028 -1.272
166 H ALA 22 H ALA 22 -6.222 0.014 -1.865
167 HA ALA 22 HA ALA 22 -6.859 2.354 -3.332
168 HB1 ALA 22 HB1 ALA 22 -8.886 1.193 -3.951
169 HB2 ALA 22 HB2 ALA 22 -8.614 0.017 -2.664
170 HB3 ALA 22 HB3 ALA 22 -7.498 0.109 -4.027
171 H GLU 23 H GLU 23 -7.081 1.806 -0.213
172 HA GLU 23 HA GLU 23 -9.727 2.819 0.389
173 HB2 GLU 23 HB2 GLU 23 -7.560 1.860 2.205
174 HB3 GLU 23 HB3 GLU 23 -9.312 1.784 2.464
175 HG2 GLU 23 HG2 GLU 23 -8.315 0.438 0.058
176 HG3 GLU 23 HG3 GLU 23 -7.763 -0.257 1.573
177 H LYS 24 H LYS 24 -6.409 3.261 1.384
178 HA LYS 24 HA LYS 24 -6.927 5.881 2.558
179 HB2 LYS 24 HB2 LYS 24 -4.276 4.615 2.663
180 HB3 LYS 24 HB3 LYS 24 -5.203 5.358 3.928
181 HG2 LYS 24 HG2 LYS 24 -6.110 2.755 2.843
182 HG3 LYS 24 HG3 LYS 24 -4.710 2.785 3.907
183 HD2 LYS 24 HD2 LYS 24 -6.705 2.254 5.137
184 HD3 LYS 24 HD3 LYS 24 -6.067 3.820 5.668
185 HE2 LYS 24 HE2 LYS 24 -7.745 4.963 4.339
186 HE3 LYS 24 HE3 LYS 24 -8.316 3.417 3.714
187 HZ1 LYS 24 HZ1 LYS 24 -8.499 4.414 6.505
188 HZ2 LYS 24 HZ2 LYS 24 -8.832 2.808 6.067
189 HZ3 LYS 24 HZ3 LYS 24 -9.783 4.067 5.444
190 H TYR 25 H TYR 25 -4.614 4.236 0.524
191 HA TYR 25 HA TYR 25 -3.101 6.596 0.045
192 HB2 TYR 25 HB2 TYR 25 -2.856 3.843 -1.115
193 HB3 TYR 25 HB3 TYR 25 -1.583 5.041 -1.076
194 HD1 TYR 25 HD1 TYR 25 -3.830 3.073 0.911
195 HD2 TYR 25 HD2 TYR 25 -0.037 4.937 0.756
196 HE1 TYR 25 HE1 TYR 25 -3.225 1.963 2.934
197 HE2 TYR 25 HE2 TYR 25 0.606 3.835 2.868
198 HH TYR 25 HH TYR 25 -0.424 2.795 4.783
199 H ALA 26 H ALA 26 -4.527 4.060 -1.939
200 HA ALA 26 HA ALA 26 -4.375 5.513 -4.403
201 HB1 ALA 26 HB1 ALA 26 -4.317 3.099 -4.357
202 HB2 ALA 26 HB2 ALA 26 -5.747 3.626 -5.248
203 HB3 ALA 26 HB3 ALA 26 -5.902 3.045 -3.585
204 H ASN 27 H ASN 27 -6.565 5.301 -1.802
205 HA ASN 27 HA ASN 27 -9.008 6.045 -2.756
206 HB2 ASN 27 HB2 ASN 27 -8.614 5.638 -0.441
207 HB3 ASN 27 HB3 ASN 27 -7.487 6.981 -0.330
208 HD21 ASN 27 HD21 ASN 27 -8.303 9.082 -0.192
209 HD22 ASN 27 HD22 ASN 27 -9.975 9.412 0.120
Start of MODEL 6
1 H1 GLY 1 H1 GLY 1 13.170 7.783 2.572
2 H2 GLY 1 H2 GLY 1 13.758 7.452 1.013
3 H3 GLY 1 H3 GLY 1 14.539 6.802 2.374
4 HA2 GLY 1 HA3 GLY 1 11.802 6.142 1.441
5 HA3 GLY 1 HA2 GLY 1 13.222 5.115 1.274
6 H ILE 2 H ILE 2 10.593 4.832 2.749
7 HA ILE 2 HA ILE 2 11.699 4.307 5.427
8 HB ILE 2 HB ILE 2 8.836 4.847 4.615
9 HG12 ILE 2 HG12 ILE 2 10.786 6.492 6.240
10 HG13 ILE 2 HG13 ILE 2 10.188 6.872 4.624
11 HG21 ILE 2 HG21 ILE 2 8.961 3.217 6.383
12 HG22 ILE 2 HG22 ILE 2 8.347 4.749 7.006
13 HG23 ILE 2 HG23 ILE 2 10.017 4.276 7.318
14 HD11 ILE 2 HD11 ILE 2 8.512 6.713 7.119
15 HD12 ILE 2 HD12 ILE 2 7.942 7.131 5.503
16 HD13 ILE 2 HD13 ILE 2 9.072 8.193 6.340
17 H GLY 3 H GLY 3 8.784 3.251 3.763
18 HA2 GLY 3 HA2 GLY 3 9.286 0.767 2.904
19 HA3 GLY 3 HA3 GLY 3 9.170 0.538 4.646
20 H GLY 4 H GLY 4 7.232 1.288 5.704
21 HA2 GLY 4 HA2 GLY 4 4.873 0.540 4.220
22 HA3 GLY 4 HA3 GLY 4 4.949 0.943 5.929
23 H VAL 5 H VAL 5 5.940 2.773 3.112
24 HA VAL 5 HA VAL 5 4.155 4.959 3.927
25 HB VAL 5 HB VAL 5 6.305 5.835 4.091
26 HG11 VAL 5 HG11 VAL 5 8.129 5.409 2.537
27 HG12 VAL 5 HG12 VAL 5 7.063 4.423 1.531
28 HG13 VAL 5 HG13 VAL 5 7.479 3.888 3.158
29 HG21 VAL 5 HG21 VAL 5 5.602 6.385 1.215
30 HG22 VAL 5 HG22 VAL 5 6.577 7.403 2.284
31 HG23 VAL 5 HG23 VAL 5 4.853 7.184 2.600
32 H LEU 6 H LEU 6 5.610 3.416 1.110
33 HA LEU 6 HA LEU 6 3.238 3.031 -0.290
34 HB2 LEU 6 HB2 LEU 6 3.190 4.665 -1.976
35 HB3 LEU 6 HB3 LEU 6 3.444 5.567 -0.508
36 HG LEU 6 HG LEU 6 4.765 6.626 -2.116
37 HD11 LEU 6 HD11 LEU 6 6.612 4.814 -0.591
38 HD12 LEU 6 HD12 LEU 6 5.992 6.384 -0.079
39 HD13 LEU 6 HD13 LEU 6 7.095 6.276 -1.450
40 HD21 LEU 6 HD21 LEU 6 6.336 5.520 -3.613
41 HD22 LEU 6 HD22 LEU 6 4.685 4.952 -3.859
42 HD23 LEU 6 HD23 LEU 6 5.841 3.952 -2.977
43 H LEU 7 H LEU 7 6.591 3.294 0.018
44 HA LEU 7 HA LEU 7 7.488 2.124 -2.359
45 HB2 LEU 7 HB2 LEU 7 8.789 3.270 -0.420
46 HB3 LEU 7 HB3 LEU 7 8.874 1.653 0.260
47 HG LEU 7 HG LEU 7 10.903 2.122 -0.928
48 HD11 LEU 7 HD11 LEU 7 9.077 0.213 -2.372
49 HD12 LEU 7 HD12 LEU 7 10.309 -0.154 -1.160
50 HD13 LEU 7 HD13 LEU 7 10.791 0.386 -2.769
51 HD21 LEU 7 HD21 LEU 7 9.791 3.887 -2.306
52 HD22 LEU 7 HD22 LEU 7 9.264 2.598 -3.392
53 HD23 LEU 7 HD23 LEU 7 10.987 2.899 -3.150
54 H SER 8 H SER 8 7.561 0.429 0.794
55 HA SER 8 HA SER 8 7.280 -2.053 -0.756
56 HB2 SER 8 HB2 SER 8 7.993 -3.226 1.296
57 HB3 SER 8 HB3 SER 8 9.192 -2.051 0.755
58 HG SER 8 HG SER 8 8.983 -1.730 2.918
59 H ALA 9 H ALA 9 5.745 0.050 1.383
60 HA ALA 9 HA ALA 9 3.430 -1.277 2.058
61 HB1 ALA 9 HB1 ALA 9 3.587 0.950 2.731
62 HB2 ALA 9 HB2 ALA 9 2.394 1.034 1.431
63 HB3 ALA 9 HB3 ALA 9 4.078 1.496 1.126
64 H GLY 10 H GLY 10 4.740 -0.340 -1.053
65 HA2 GLY 10 HA2 GLY 10 2.320 -1.086 -2.473
66 HA3 GLY 10 HA3 GLY 10 3.824 -0.539 -3.195
67 H LYS 11 H LYS 11 5.588 -2.261 -2.011
68 HA LYS 11 HA LYS 11 5.552 -4.524 -3.601
69 HB2 LYS 11 HB2 LYS 11 7.046 -3.551 -1.282
70 HB3 LYS 11 HB3 LYS 11 7.073 -5.298 -1.475
71 HG2 LYS 11 HG2 LYS 11 8.968 -4.620 -2.588
72 HG3 LYS 11 HG3 LYS 11 7.789 -4.798 -3.881
73 HD2 LYS 11 HD2 LYS 11 8.300 -2.156 -2.547
74 HD3 LYS 11 HD3 LYS 11 9.271 -2.715 -3.909
75 HE2 LYS 11 HE2 LYS 11 6.275 -2.515 -3.982
76 HE3 LYS 11 HE3 LYS 11 7.337 -1.193 -4.468
77 HZ1 LYS 11 HZ1 LYS 11 6.631 -2.508 -6.368
78 HZ2 LYS 11 HZ2 LYS 11 7.298 -3.910 -5.686
79 HZ3 LYS 11 HZ3 LYS 11 8.305 -2.625 -6.147
80 H ALA 12 H ALA 12 4.301 -4.076 -0.332
81 HA ALA 12 HA ALA 12 3.522 -6.863 -0.167
82 HB1 ALA 12 HB1 ALA 12 4.360 -5.679 1.821
83 HB2 ALA 12 HB2 ALA 12 2.731 -6.316 2.059
84 HB3 ALA 12 HB3 ALA 12 2.969 -4.595 1.742
85 H ALA 13 H ALA 13 2.169 -3.874 -1.201
86 HA ALA 13 HA ALA 13 -0.563 -4.465 -0.731
87 HB1 ALA 13 HB1 ALA 13 0.323 -2.165 -1.186
88 HB2 ALA 13 HB2 ALA 13 -1.133 -2.611 -2.092
89 HB3 ALA 13 HB3 ALA 13 0.453 -2.626 -2.888
90 H LEU 14 H LEU 14 1.643 -5.175 -3.387
91 HA LEU 14 HA LEU 14 -0.208 -6.057 -5.281
92 HB2 LEU 14 HB2 LEU 14 2.415 -7.431 -4.677
93 HB3 LEU 14 HB3 LEU 14 1.496 -7.562 -6.156
94 HG LEU 14 HG LEU 14 2.954 -6.080 -6.952
95 HD11 LEU 14 HD11 LEU 14 2.450 -3.713 -6.583
96 HD12 LEU 14 HD12 LEU 14 1.416 -4.152 -5.227
97 HD13 LEU 14 HD13 LEU 14 0.996 -4.673 -6.858
98 HD21 LEU 14 HD21 LEU 14 3.556 -5.224 -4.131
99 HD22 LEU 14 HD22 LEU 14 4.437 -4.710 -5.571
100 HD23 LEU 14 HD23 LEU 14 4.446 -6.407 -5.088
101 H LYS 15 H LYS 15 0.904 -7.455 -2.313
102 HA LYS 15 HA LYS 15 -0.391 -9.982 -2.858
103 HB2 LYS 15 HB2 LYS 15 1.155 -9.130 -0.436
104 HB3 LYS 15 HB3 LYS 15 0.816 -10.779 -0.957
105 HG2 LYS 15 HG2 LYS 15 2.511 -8.789 -2.428
106 HG3 LYS 15 HG3 LYS 15 3.133 -10.097 -1.423
107 HD2 LYS 15 HD2 LYS 15 1.394 -10.441 -3.851
108 HD3 LYS 15 HD3 LYS 15 3.154 -10.595 -3.853
109 HE2 LYS 15 HE2 LYS 15 2.932 -12.348 -2.121
110 HE3 LYS 15 HE3 LYS 15 1.185 -12.280 -2.323
111 HZ1 LYS 15 HZ1 LYS 15 1.444 -12.947 -4.623
112 HZ2 LYS 15 HZ2 LYS 15 2.186 -14.083 -3.607
113 HZ3 LYS 15 HZ3 LYS 15 3.131 -12.969 -4.463
114 H GLY 16 H GLY 16 -0.235 -7.863 0.015
115 HA2 GLY 16 HA2 GLY 16 -2.982 -8.664 0.660
116 HA3 GLY 16 HA3 GLY 16 -1.773 -8.213 1.844
117 H LEU 17 H LEU 17 -0.720 -6.012 1.030
118 HA LEU 17 HA LEU 17 -2.547 -4.380 2.246
119 HB2 LEU 17 HB2 LEU 17 0.207 -3.993 1.297
120 HB3 LEU 17 HB3 LEU 17 -0.759 -2.555 1.627
121 HG LEU 17 HG LEU 17 -1.293 -4.108 3.815
122 HD11 LEU 17 HD11 LEU 17 0.377 -5.735 3.231
123 HD12 LEU 17 HD12 LEU 17 0.854 -4.858 4.686
124 HD13 LEU 17 HD13 LEU 17 1.610 -4.476 3.137
125 HD21 LEU 17 HD21 LEU 17 0.205 -2.533 5.006
126 HD22 LEU 17 HD22 LEU 17 -0.935 -1.757 3.898
127 HD23 LEU 17 HD23 LEU 17 0.763 -1.946 3.438
128 H ALA 18 H ALA 18 -2.577 -5.005 -1.037
129 HA ALA 18 HA ALA 18 -3.514 -2.490 -1.875
130 HB1 ALA 18 HB1 ALA 18 -5.009 -3.797 -3.445
131 HB2 ALA 18 HB2 ALA 18 -4.328 -5.258 -2.727
132 HB3 ALA 18 HB3 ALA 18 -3.278 -4.106 -3.557
133 H LYS 19 H LYS 19 -4.593 -4.701 0.448
134 HA LYS 19 HA LYS 19 -7.338 -4.232 0.675
135 HB2 LYS 19 HB2 LYS 19 -6.998 -5.240 2.862
136 HB3 LYS 19 HB3 LYS 19 -6.047 -6.070 1.664
137 HG2 LYS 19 HG2 LYS 19 -4.509 -5.952 3.301
138 HG3 LYS 19 HG3 LYS 19 -4.185 -4.426 2.482
139 HD2 LYS 19 HD2 LYS 19 -4.240 -3.988 4.821
140 HD3 LYS 19 HD3 LYS 19 -5.708 -3.320 4.103
141 HE2 LYS 19 HE2 LYS 19 -6.189 -4.472 6.207
142 HE3 LYS 19 HE3 LYS 19 -6.968 -5.275 4.844
143 HZ1 LYS 19 HZ1 LYS 19 -5.451 -7.026 4.908
144 HZ2 LYS 19 HZ2 LYS 19 -5.778 -6.721 6.546
145 HZ3 LYS 19 HZ3 LYS 19 -4.334 -6.167 5.854
146 H VAL 20 H VAL 20 -4.532 -2.569 1.886
147 HA VAL 20 HA VAL 20 -6.120 -0.549 3.312
148 HB VAL 20 HB VAL 20 -4.039 -1.438 4.304
149 HG11 VAL 20 HG11 VAL 20 -2.923 -0.287 1.813
150 HG12 VAL 20 HG12 VAL 20 -2.591 -1.851 2.584
151 HG13 VAL 20 HG13 VAL 20 -1.920 -0.361 3.275
152 HG21 VAL 20 HG21 VAL 20 -3.964 1.498 3.706
153 HG22 VAL 20 HG22 VAL 20 -3.102 0.692 5.018
154 HG23 VAL 20 HG23 VAL 20 -4.866 0.727 5.011
155 H LEU 21 H LEU 21 -4.273 -1.087 0.547
156 HA LEU 21 HA LEU 21 -3.470 1.276 -0.454
157 HB2 LEU 21 HB2 LEU 21 -4.026 -1.311 -1.281
158 HB3 LEU 21 HB3 LEU 21 -4.766 -0.248 -2.468
159 HG LEU 21 HG LEU 21 -2.396 -1.045 -2.839
160 HD11 LEU 21 HD11 LEU 21 -1.760 1.197 -3.775
161 HD12 LEU 21 HD12 LEU 21 -3.140 1.879 -2.903
162 HD13 LEU 21 HD13 LEU 21 -3.403 0.690 -4.184
163 HD21 LEU 21 HD21 LEU 21 -1.670 1.252 -1.050
164 HD22 LEU 21 HD22 LEU 21 -0.631 -0.035 -1.675
165 HD23 LEU 21 HD23 LEU 21 -1.818 -0.387 -0.411
166 H ALA 22 H ALA 22 -6.507 -0.189 -1.438
167 HA ALA 22 HA ALA 22 -7.402 1.997 -2.991
168 HB1 ALA 22 HB1 ALA 22 -9.535 0.808 -3.070
169 HB2 ALA 22 HB2 ALA 22 -8.949 -0.282 -1.812
170 HB3 ALA 22 HB3 ALA 22 -8.159 -0.246 -3.390
171 H GLU 23 H GLU 23 -7.083 1.857 0.160
172 HA GLU 23 HA GLU 23 -9.629 2.873 1.084
173 HB2 GLU 23 HB2 GLU 23 -7.114 2.099 2.511
174 HB3 GLU 23 HB3 GLU 23 -8.748 2.116 3.172
175 HG2 GLU 23 HG2 GLU 23 -8.319 0.463 0.778
176 HG3 GLU 23 HG3 GLU 23 -7.481 -0.077 2.224
177 H LYS 24 H LYS 24 -6.218 3.390 1.377
178 HA LYS 24 HA LYS 24 -6.514 6.120 2.318
179 HB2 LYS 24 HB2 LYS 24 -3.891 4.825 2.155
180 HB3 LYS 24 HB3 LYS 24 -4.620 5.704 3.464
181 HG2 LYS 24 HG2 LYS 24 -5.380 2.930 2.673
182 HG3 LYS 24 HG3 LYS 24 -4.197 3.274 3.942
183 HD2 LYS 24 HD2 LYS 24 -7.165 3.529 3.903
184 HD3 LYS 24 HD3 LYS 24 -6.104 2.884 5.159
185 HE2 LYS 24 HE2 LYS 24 -5.391 5.167 5.703
186 HE3 LYS 24 HE3 LYS 24 -6.410 5.775 4.393
187 HZ1 LYS 24 HZ1 LYS 24 -7.409 4.321 6.786
188 HZ2 LYS 24 HZ2 LYS 24 -8.357 4.998 5.551
189 HZ3 LYS 24 HZ3 LYS 24 -7.459 6.006 6.578
190 H TYR 25 H TYR 25 -4.596 4.203 0.105
191 HA TYR 25 HA TYR 25 -3.203 6.513 -0.850
192 HB2 TYR 25 HB2 TYR 25 -2.935 3.623 -1.598
193 HB3 TYR 25 HB3 TYR 25 -1.728 4.859 -1.853
194 HD1 TYR 25 HD1 TYR 25 -3.661 3.063 0.573
195 HD2 TYR 25 HD2 TYR 25 -0.052 5.164 -0.134
196 HE1 TYR 25 HE1 TYR 25 -2.830 2.313 2.682
197 HE2 TYR 25 HE2 TYR 25 0.818 4.429 2.061
198 HH TYR 25 HH TYR 25 -0.016 3.619 4.192
199 H ALA 26 H ALA 26 -4.708 3.652 -2.255
200 HA ALA 26 HA ALA 26 -4.925 4.686 -4.909
201 HB1 ALA 26 HB1 ALA 26 -4.795 2.301 -4.456
202 HB2 ALA 26 HB2 ALA 26 -6.314 2.673 -5.280
203 HB3 ALA 26 HB3 ALA 26 -6.301 2.376 -3.535
204 H ASN 27 H ASN 27 -6.692 4.969 -2.045
205 HA ASN 27 HA ASN 27 -9.279 5.553 -2.896
206 HB2 ASN 27 HB2 ASN 27 -8.556 5.251 -0.552
207 HB3 ASN 27 HB3 ASN 27 -7.709 6.789 -0.630
208 HD21 ASN 27 HD21 ASN 27 -8.865 8.693 -0.592
209 HD22 ASN 27 HD22 ASN 27 -10.540 8.761 -0.173
Start of MODEL 7
1 H1 GLY 1 H1 GLY 1 14.362 6.931 1.996
2 H2 GLY 1 H2 GLY 1 14.928 6.591 0.432
3 H3 GLY 1 H3 GLY 1 15.649 5.850 1.777
4 HA2 GLY 1 HA3 GLY 1 12.872 5.417 0.830
5 HA3 GLY 1 HA2 GLY 1 14.211 4.289 0.660
6 H ILE 2 H ILE 2 11.774 3.688 1.962
7 HA ILE 2 HA ILE 2 12.680 3.366 4.732
8 HB ILE 2 HB ILE 2 9.874 4.035 3.835
9 HG12 ILE 2 HG12 ILE 2 11.832 5.647 5.490
10 HG13 ILE 2 HG13 ILE 2 11.355 5.987 3.828
11 HG21 ILE 2 HG21 ILE 2 10.943 3.501 6.593
12 HG22 ILE 2 HG22 ILE 2 9.896 2.442 5.648
13 HG23 ILE 2 HG23 ILE 2 9.301 4.011 6.199
14 HD11 ILE 2 HD11 ILE 2 10.208 7.433 5.409
15 HD12 ILE 2 HD12 ILE 2 9.521 6.018 6.210
16 HD13 ILE 2 HD13 ILE 2 9.079 6.391 4.544
17 H GLY 3 H GLY 3 9.808 2.457 2.914
18 HA2 GLY 3 HA2 GLY 3 10.013 -0.060 2.200
19 HA3 GLY 3 HA3 GLY 3 9.993 -0.244 3.948
20 H GLY 4 H GLY 4 8.194 0.722 5.099
21 HA2 GLY 4 HA2 GLY 4 5.706 0.116 3.754
22 HA3 GLY 4 HA3 GLY 4 5.903 0.481 5.463
23 H VAL 5 H VAL 5 6.845 2.274 2.593
24 HA VAL 5 HA VAL 5 5.329 4.585 3.583
25 HB VAL 5 HB VAL 5 7.552 5.270 3.524
26 HG11 VAL 5 HG11 VAL 5 9.154 4.742 1.762
27 HG12 VAL 5 HG12 VAL 5 7.907 3.855 0.877
28 HG13 VAL 5 HG13 VAL 5 8.467 3.262 2.438
29 HG21 VAL 5 HG21 VAL 5 6.059 6.758 2.218
30 HG22 VAL 5 HG22 VAL 5 6.611 5.941 0.749
31 HG23 VAL 5 HG23 VAL 5 7.755 6.857 1.736
32 H LEU 6 H LEU 6 6.319 2.957 0.619
33 HA LEU 6 HA LEU 6 3.789 2.790 -0.508
34 HB2 LEU 6 HB2 LEU 6 3.676 4.451 -2.166
35 HB3 LEU 6 HB3 LEU 6 4.149 5.306 -0.721
36 HG LEU 6 HG LEU 6 5.372 6.307 -2.430
37 HD11 LEU 6 HD11 LEU 6 6.817 5.914 -0.582
38 HD12 LEU 6 HD12 LEU 6 7.732 5.715 -2.079
39 HD13 LEU 6 HD13 LEU 6 7.208 4.298 -1.169
40 HD21 LEU 6 HD21 LEU 6 6.686 5.101 -4.120
41 HD22 LEU 6 HD22 LEU 6 4.959 4.752 -4.214
42 HD23 LEU 6 HD23 LEU 6 6.059 3.576 -3.492
43 H LEU 7 H LEU 7 7.160 2.795 -0.592
44 HA LEU 7 HA LEU 7 7.664 1.583 -3.077
45 HB2 LEU 7 HB2 LEU 7 9.243 2.673 -1.296
46 HB3 LEU 7 HB3 LEU 7 9.372 1.032 -0.684
47 HG LEU 7 HG LEU 7 11.230 1.407 -2.099
48 HD11 LEU 7 HD11 LEU 7 9.097 -0.202 -3.487
49 HD12 LEU 7 HD12 LEU 7 10.402 -0.782 -2.450
50 HD13 LEU 7 HD13 LEU 7 10.772 -0.135 -4.048
51 HD21 LEU 7 HD21 LEU 7 9.358 2.265 -4.282
52 HD22 LEU 7 HD22 LEU 7 11.120 2.377 -4.255
53 HD23 LEU 7 HD23 LEU 7 10.147 3.386 -3.175
54 H SER 8 H SER 8 8.072 -0.103 0.066
55 HA SER 8 HA SER 8 7.425 -2.566 -1.391
56 HB2 SER 8 HB2 SER 8 8.332 -3.797 0.530
57 HB3 SER 8 HB3 SER 8 9.525 -2.681 -0.150
58 HG SER 8 HG SER 8 8.551 -2.792 2.351
59 H ALA 9 H ALA 9 6.252 -0.311 0.786
60 HA ALA 9 HA ALA 9 3.973 -1.545 1.746
61 HB1 ALA 9 HB1 ALA 9 4.224 0.673 2.350
62 HB2 ALA 9 HB2 ALA 9 2.979 0.803 1.100
63 HB3 ALA 9 HB3 ALA 9 4.672 1.165 0.716
64 H GLY 10 H GLY 10 5.015 -0.712 -1.488
65 HA2 GLY 10 HA2 GLY 10 2.488 -1.506 -2.690
66 HA3 GLY 10 HA3 GLY 10 3.951 -1.021 -3.540
67 H LYS 11 H LYS 11 5.785 -2.690 -2.426
68 HA LYS 11 HA LYS 11 5.573 -5.083 -3.826
69 HB2 LYS 11 HB2 LYS 11 7.324 -3.895 -1.813
70 HB3 LYS 11 HB3 LYS 11 7.336 -5.653 -1.825
71 HG2 LYS 11 HG2 LYS 11 9.071 -5.131 -3.230
72 HG3 LYS 11 HG3 LYS 11 7.736 -5.399 -4.342
73 HD2 LYS 11 HD2 LYS 11 8.427 -2.658 -3.341
74 HD3 LYS 11 HD3 LYS 11 9.233 -3.363 -4.743
75 HE2 LYS 11 HE2 LYS 11 6.261 -3.010 -4.451
76 HE3 LYS 11 HE3 LYS 11 7.320 -1.906 -5.329
77 HZ1 LYS 11 HZ1 LYS 11 6.268 -3.430 -6.846
78 HZ2 LYS 11 HZ2 LYS 11 6.838 -4.767 -5.973
79 HZ3 LYS 11 HZ3 LYS 11 7.934 -3.761 -6.789
80 H ALA 12 H ALA 12 4.406 -4.258 -0.656
81 HA ALA 12 HA ALA 12 3.703 -7.039 -0.113
82 HB1 ALA 12 HB1 ALA 12 4.614 -5.759 1.741
83 HB2 ALA 12 HB2 ALA 12 2.941 -6.210 2.065
84 HB3 ALA 12 HB3 ALA 12 3.330 -4.564 1.567
85 H ALA 13 H ALA 13 2.353 -4.133 -1.335
86 HA ALA 13 HA ALA 13 -0.341 -4.487 -0.667
87 HB1 ALA 13 HB1 ALA 13 0.650 -3.092 -3.137
88 HB2 ALA 13 HB2 ALA 13 0.643 -2.371 -1.530
89 HB3 ALA 13 HB3 ALA 13 -0.888 -2.838 -2.289
90 H LEU 14 H LEU 14 1.405 -5.411 -3.662
91 HA LEU 14 HA LEU 14 -0.861 -6.536 -4.850
92 HB2 LEU 14 HB2 LEU 14 0.790 -7.981 -6.172
93 HB3 LEU 14 HB3 LEU 14 0.784 -6.253 -6.393
94 HG LEU 14 HG LEU 14 3.015 -7.630 -6.270
95 HD11 LEU 14 HD11 LEU 14 2.842 -5.248 -6.662
96 HD12 LEU 14 HD12 LEU 14 4.167 -5.611 -5.556
97 HD13 LEU 14 HD13 LEU 14 2.651 -4.960 -4.934
98 HD21 LEU 14 HD21 LEU 14 2.707 -8.614 -4.087
99 HD22 LEU 14 HD22 LEU 14 2.511 -7.016 -3.361
100 HD23 LEU 14 HD23 LEU 14 4.063 -7.488 -4.053
101 H LYS 15 H LYS 15 0.896 -7.712 -2.173
102 HA LYS 15 HA LYS 15 -0.298 -10.344 -2.428
103 HB2 LYS 15 HB2 LYS 15 1.235 -9.158 -0.134
104 HB3 LYS 15 HB3 LYS 15 0.896 -10.865 -0.401
105 HG2 LYS 15 HG2 LYS 15 2.577 -9.126 -2.147
106 HG3 LYS 15 HG3 LYS 15 3.208 -10.252 -0.951
107 HD2 LYS 15 HD2 LYS 15 1.535 -10.919 -3.360
108 HD3 LYS 15 HD3 LYS 15 3.274 -11.204 -3.203
109 HE2 LYS 15 HE2 LYS 15 2.864 -12.714 -1.330
110 HE3 LYS 15 HE3 LYS 15 1.140 -12.395 -1.456
111 HZ1 LYS 15 HZ1 LYS 15 1.836 -14.512 -2.495
112 HZ2 LYS 15 HZ2 LYS 15 2.767 -13.639 -3.607
113 HZ3 LYS 15 HZ3 LYS 15 1.080 -13.460 -3.587
114 H GLY 16 H GLY 16 -0.137 -7.997 0.233
115 HA2 GLY 16 HA2 GLY 16 -2.901 -8.677 0.936
116 HA3 GLY 16 HA3 GLY 16 -1.684 -8.183 2.092
117 H LEU 17 H LEU 17 -0.550 -6.092 1.082
118 HA LEU 17 HA LEU 17 -2.286 -4.319 2.230
119 HB2 LEU 17 HB2 LEU 17 0.467 -4.122 1.224
120 HB3 LEU 17 HB3 LEU 17 -0.416 -2.619 1.478
121 HG LEU 17 HG LEU 17 -0.986 -4.048 3.758
122 HD11 LEU 17 HD11 LEU 17 0.633 -5.740 3.224
123 HD12 LEU 17 HD12 LEU 17 1.158 -4.804 4.628
124 HD13 LEU 17 HD13 LEU 17 1.894 -4.516 3.050
125 HD21 LEU 17 HD21 LEU 17 1.114 -1.955 3.239
126 HD22 LEU 17 HD22 LEU 17 0.588 -2.462 4.843
127 HD23 LEU 17 HD23 LEU 17 -0.568 -1.706 3.735
128 H ALA 18 H ALA 18 -2.387 -5.130 -1.019
129 HA ALA 18 HA ALA 18 -3.210 -2.607 -1.969
130 HB1 ALA 18 HB1 ALA 18 -4.108 -5.375 -2.733
131 HB2 ALA 18 HB2 ALA 18 -3.015 -4.285 -3.593
132 HB3 ALA 18 HB3 ALA 18 -4.736 -3.920 -3.508
133 H LYS 19 H LYS 19 -4.380 -4.695 0.407
134 HA LYS 19 HA LYS 19 -7.108 -4.144 0.593
135 HB2 LYS 19 HB2 LYS 19 -6.825 -5.073 2.812
136 HB3 LYS 19 HB3 LYS 19 -5.872 -5.975 1.670
137 HG2 LYS 19 HG2 LYS 19 -4.362 -5.830 3.336
138 HG3 LYS 19 HG3 LYS 19 -3.981 -4.341 2.474
139 HD2 LYS 19 HD2 LYS 19 -4.096 -3.866 4.823
140 HD3 LYS 19 HD3 LYS 19 -5.473 -3.123 4.003
141 HE2 LYS 19 HE2 LYS 19 -6.252 -4.129 6.035
142 HE3 LYS 19 HE3 LYS 19 -6.851 -5.075 4.674
143 HZ1 LYS 19 HZ1 LYS 19 -6.084 -6.629 6.221
144 HZ2 LYS 19 HZ2 LYS 19 -4.674 -5.754 6.560
145 HZ3 LYS 19 HZ3 LYS 19 -4.841 -6.548 5.071
146 H VAL 20 H VAL 20 -4.263 -2.559 1.780
147 HA VAL 20 HA VAL 20 -5.748 -0.460 3.187
148 HB VAL 20 HB VAL 20 -3.693 -1.522 4.131
149 HG11 VAL 20 HG11 VAL 20 -2.569 -0.302 1.685
150 HG12 VAL 20 HG12 VAL 20 -2.225 -1.867 2.444
151 HG13 VAL 20 HG13 VAL 20 -1.562 -0.379 3.143
152 HG21 VAL 20 HG21 VAL 20 -2.711 0.539 4.972
153 HG22 VAL 20 HG22 VAL 20 -4.472 0.624 4.963
154 HG23 VAL 20 HG23 VAL 20 -3.543 1.445 3.708
155 H LEU 21 H LEU 21 -3.955 -1.116 0.406
156 HA LEU 21 HA LEU 21 -3.048 1.196 -0.627
157 HB2 LEU 21 HB2 LEU 21 -3.710 -1.365 -1.402
158 HB3 LEU 21 HB3 LEU 21 -4.481 -0.312 -2.578
159 HG LEU 21 HG LEU 21 -2.169 -1.129 -3.106
160 HD11 LEU 21 HD11 LEU 21 -3.184 0.731 -4.295
161 HD12 LEU 21 HD12 LEU 21 -1.491 1.119 -3.981
162 HD13 LEU 21 HD13 LEU 21 -2.763 1.833 -2.982
163 HD21 LEU 21 HD21 LEU 21 -1.504 -0.519 -0.630
164 HD22 LEU 21 HD22 LEU 21 -1.172 1.067 -1.346
165 HD23 LEU 21 HD23 LEU 21 -0.329 -0.365 -1.943
166 H ALA 22 H ALA 22 -6.182 -0.119 -1.510
167 HA ALA 22 HA ALA 22 -7.016 2.091 -3.065
168 HB1 ALA 22 HB1 ALA 22 -7.898 -0.147 -3.360
169 HB2 ALA 22 HB2 ALA 22 -9.192 1.018 -3.088
170 HB3 ALA 22 HB3 ALA 22 -8.679 -0.052 -1.783
171 H GLU 23 H GLU 23 -6.607 1.912 0.072
172 HA GLU 23 HA GLU 23 -8.995 3.234 1.056
173 HB2 GLU 23 HB2 GLU 23 -6.608 2.254 2.554
174 HB3 GLU 23 HB3 GLU 23 -8.286 2.358 3.111
175 HG2 GLU 23 HG2 GLU 23 -7.825 0.697 0.741
176 HG3 GLU 23 HG3 GLU 23 -7.070 0.105 2.207
177 H LYS 24 H LYS 24 -5.513 3.433 1.284
178 HA LYS 24 HA LYS 24 -5.562 6.172 2.284
179 HB2 LYS 24 HB2 LYS 24 -3.067 4.642 1.946
180 HB3 LYS 24 HB3 LYS 24 -3.599 5.617 3.276
181 HG2 LYS 24 HG2 LYS 24 -5.007 3.066 2.771
182 HG3 LYS 24 HG3 LYS 24 -3.392 3.000 3.454
183 HD2 LYS 24 HD2 LYS 24 -5.126 2.879 5.147
184 HD3 LYS 24 HD3 LYS 24 -4.098 4.305 5.364
185 HE2 LYS 24 HE2 LYS 24 -5.813 5.693 4.324
186 HE3 LYS 24 HE3 LYS 24 -6.804 4.262 4.056
187 HZ1 LYS 24 HZ1 LYS 24 -7.512 5.508 6.016
188 HZ2 LYS 24 HZ2 LYS 24 -5.978 5.302 6.714
189 HZ3 LYS 24 HZ3 LYS 24 -6.975 3.955 6.434
190 H TYR 25 H TYR 25 -3.964 4.176 -0.101
191 HA TYR 25 HA TYR 25 -2.419 6.375 -1.091
192 HB2 TYR 25 HB2 TYR 25 -2.525 3.501 -1.947
193 HB3 TYR 25 HB3 TYR 25 -1.230 4.619 -2.299
194 HD1 TYR 25 HD1 TYR 25 -3.088 3.000 0.306
195 HD2 TYR 25 HD2 TYR 25 0.655 4.629 -0.799
196 HE1 TYR 25 HE1 TYR 25 -2.130 2.068 2.281
197 HE2 TYR 25 HE2 TYR 25 1.679 3.708 1.253
198 HH TYR 25 HH TYR 25 0.961 2.950 3.480
199 H ALA 26 H ALA 26 -4.382 3.767 -2.378
200 HA ALA 26 HA ALA 26 -4.762 4.962 -4.964
201 HB1 ALA 26 HB1 ALA 26 -4.757 2.550 -4.664
202 HB2 ALA 26 HB2 ALA 26 -6.316 3.078 -5.300
203 HB3 ALA 26 HB3 ALA 26 -6.150 2.668 -3.589
204 H ASN 27 H ASN 27 -6.164 5.242 -1.907
205 HA ASN 27 HA ASN 27 -8.739 6.047 -2.183
206 HB2 ASN 27 HB2 ASN 27 -7.560 6.073 -0.070
207 HB3 ASN 27 HB3 ASN 27 -6.526 7.380 -0.620
208 HD21 ASN 27 HD21 ASN 27 -7.309 9.478 -0.649
209 HD22 ASN 27 HD22 ASN 27 -8.818 9.931 0.078
Start of MODEL 8
1 H1 GLY 1 H1 GLY 1 14.701 3.237 0.450
2 H2 GLY 1 H2 GLY 1 15.186 3.101 2.070
3 H3 GLY 1 H3 GLY 1 14.111 4.325 1.608
4 HA2 GLY 1 HA3 GLY 1 12.442 2.685 1.031
5 HA3 GLY 1 HA2 GLY 1 13.559 1.418 1.513
6 H ILE 2 H ILE 2 10.991 3.256 2.496
7 HA ILE 2 HA ILE 2 11.632 2.973 5.346
8 HB ILE 2 HB ILE 2 9.420 4.486 3.942
9 HG12 ILE 2 HG12 ILE 2 11.553 5.610 3.767
10 HG13 ILE 2 HG13 ILE 2 10.532 6.481 4.904
11 HG21 ILE 2 HG21 ILE 2 8.564 3.581 5.988
12 HG22 ILE 2 HG22 ILE 2 8.808 5.321 6.170
13 HG23 ILE 2 HG23 ILE 2 9.957 4.190 6.884
14 HD11 ILE 2 HD11 ILE 2 11.735 5.441 6.765
15 HD12 ILE 2 HD12 ILE 2 12.804 6.367 5.712
16 HD13 ILE 2 HD13 ILE 2 12.776 4.607 5.612
17 H GLY 3 H GLY 3 8.572 2.868 3.602
18 HA2 GLY 3 HA2 GLY 3 8.103 0.195 3.472
19 HA3 GLY 3 HA3 GLY 3 7.641 0.641 5.108
20 H GLY 4 H GLY 4 6.024 2.255 5.388
21 HA2 GLY 4 HA2 GLY 4 3.855 1.861 3.517
22 HA3 GLY 4 HA3 GLY 4 3.763 2.688 5.065
23 H VAL 5 H VAL 5 5.842 3.256 2.293
24 HA VAL 5 HA VAL 5 4.826 6.008 2.151
25 HB VAL 5 HB VAL 5 7.037 6.223 2.838
26 HG11 VAL 5 HG11 VAL 5 7.643 3.860 2.625
27 HG12 VAL 5 HG12 VAL 5 8.913 4.917 2.002
28 HG13 VAL 5 HG13 VAL 5 7.838 4.068 0.885
29 HG21 VAL 5 HG21 VAL 5 7.266 6.242 -0.162
30 HG22 VAL 5 HG22 VAL 5 8.263 7.147 0.983
31 HG23 VAL 5 HG23 VAL 5 6.551 7.536 0.804
32 H LEU 6 H LEU 6 6.283 3.434 0.216
33 HA LEU 6 HA LEU 6 4.363 3.363 -1.779
34 HB2 LEU 6 HB2 LEU 6 5.212 4.544 -3.613
35 HB3 LEU 6 HB3 LEU 6 5.382 5.655 -2.281
36 HG LEU 6 HG LEU 6 7.297 5.954 -3.567
37 HD11 LEU 6 HD11 LEU 6 8.011 4.131 -1.295
38 HD12 LEU 6 HD12 LEU 6 7.955 5.895 -1.308
39 HD13 LEU 6 HD13 LEU 6 9.191 5.044 -2.237
40 HD21 LEU 6 HD21 LEU 6 7.103 4.038 -5.020
41 HD22 LEU 6 HD22 LEU 6 7.639 2.968 -3.726
42 HD23 LEU 6 HD23 LEU 6 8.746 4.170 -4.393
43 H LEU 7 H LEU 7 7.434 2.833 -0.500
44 HA LEU 7 HA LEU 7 8.521 1.032 -2.355
45 HB2 LEU 7 HB2 LEU 7 9.539 2.251 -0.276
46 HB3 LEU 7 HB3 LEU 7 9.080 0.782 0.573
47 HG LEU 7 HG LEU 7 11.376 0.608 -0.055
48 HD11 LEU 7 HD11 LEU 7 10.375 -1.495 -0.277
49 HD12 LEU 7 HD12 LEU 7 11.270 -1.276 -1.783
50 HD13 LEU 7 HD13 LEU 7 9.517 -1.032 -1.746
51 HD21 LEU 7 HD21 LEU 7 10.594 1.078 -2.910
52 HD22 LEU 7 HD22 LEU 7 12.216 1.036 -2.213
53 HD23 LEU 7 HD23 LEU 7 11.116 2.366 -1.830
54 H SER 8 H SER 8 7.312 0.074 0.888
55 HA SER 8 HA SER 8 6.690 -2.528 -0.323
56 HB2 SER 8 HB2 SER 8 6.498 -3.377 1.991
57 HB3 SER 8 HB3 SER 8 8.094 -2.711 1.644
58 HG SER 8 HG SER 8 7.054 -2.068 3.699
59 H ALA 9 H ALA 9 5.389 0.313 0.926
60 HA ALA 9 HA ALA 9 2.685 -0.240 1.061
61 HB1 ALA 9 HB1 ALA 9 4.313 2.039 -0.010
62 HB2 ALA 9 HB2 ALA 9 3.365 1.958 1.481
63 HB3 ALA 9 HB3 ALA 9 2.545 2.071 -0.079
64 H GLY 10 H GLY 10 4.960 -0.457 -1.549
65 HA2 GLY 10 HA2 GLY 10 2.817 -1.009 -3.460
66 HA3 GLY 10 HA3 GLY 10 4.536 -0.930 -3.820
67 H LYS 11 H LYS 11 5.772 -2.571 -2.358
68 HA LYS 11 HA LYS 11 5.567 -5.054 -3.410
69 HB2 LYS 11 HB2 LYS 11 6.588 -4.007 -0.829
70 HB3 LYS 11 HB3 LYS 11 6.767 -5.713 -1.237
71 HG2 LYS 11 HG2 LYS 11 8.293 -5.271 -2.894
72 HG3 LYS 11 HG3 LYS 11 7.699 -3.623 -3.143
73 HD2 LYS 11 HD2 LYS 11 9.940 -3.945 -1.911
74 HD3 LYS 11 HD3 LYS 11 8.742 -2.827 -1.241
75 HE2 LYS 11 HE2 LYS 11 9.503 -4.116 0.587
76 HE3 LYS 11 HE3 LYS 11 7.900 -4.735 0.146
77 HZ1 LYS 11 HZ1 LYS 11 9.168 -6.450 -1.206
78 HZ2 LYS 11 HZ2 LYS 11 9.224 -6.623 0.474
79 HZ3 LYS 11 HZ3 LYS 11 10.553 -5.965 -0.355
80 H ALA 12 H ALA 12 4.405 -4.218 -0.146
81 HA ALA 12 HA ALA 12 3.355 -6.835 0.258
82 HB1 ALA 12 HB1 ALA 12 4.168 -5.470 2.120
83 HB2 ALA 12 HB2 ALA 12 2.485 -5.940 2.355
84 HB3 ALA 12 HB3 ALA 12 2.877 -4.304 1.830
85 H ALA 13 H ALA 13 2.202 -3.942 -1.163
86 HA ALA 13 HA ALA 13 -0.571 -4.334 -0.608
87 HB1 ALA 13 HB1 ALA 13 0.449 -2.113 -1.171
88 HB2 ALA 13 HB2 ALA 13 -1.053 -2.510 -2.020
89 HB3 ALA 13 HB3 ALA 13 0.509 -2.653 -2.851
90 H LEU 14 H LEU 14 1.544 -5.205 -3.316
91 HA LEU 14 HA LEU 14 -0.395 -6.039 -5.132
92 HB2 LEU 14 HB2 LEU 14 2.178 -7.526 -4.563
93 HB3 LEU 14 HB3 LEU 14 1.203 -7.672 -6.006
94 HG LEU 14 HG LEU 14 2.732 -6.303 -6.886
95 HD11 LEU 14 HD11 LEU 14 2.282 -3.910 -6.655
96 HD12 LEU 14 HD12 LEU 14 1.238 -4.251 -5.274
97 HD13 LEU 14 HD13 LEU 14 0.810 -4.854 -6.876
98 HD21 LEU 14 HD21 LEU 14 4.304 -4.972 -5.641
99 HD22 LEU 14 HD22 LEU 14 4.163 -6.576 -4.912
100 HD23 LEU 14 HD23 LEU 14 3.365 -5.193 -4.163
101 H LYS 15 H LYS 15 0.725 -7.466 -2.165
102 HA LYS 15 HA LYS 15 -0.675 -9.948 -2.697
103 HB2 LYS 15 HB2 LYS 15 0.957 -9.157 -0.309
104 HB3 LYS 15 HB3 LYS 15 0.543 -10.793 -0.820
105 HG2 LYS 15 HG2 LYS 15 2.259 -8.864 -2.341
106 HG3 LYS 15 HG3 LYS 15 2.873 -10.182 -1.343
107 HD2 LYS 15 HD2 LYS 15 1.134 -10.424 -3.792
108 HD3 LYS 15 HD3 LYS 15 2.859 -10.791 -3.706
109 HE2 LYS 15 HE2 LYS 15 0.786 -12.135 -2.013
110 HE3 LYS 15 HE3 LYS 15 1.322 -12.786 -3.565
111 HZ1 LYS 15 HZ1 LYS 15 3.546 -12.982 -2.698
112 HZ2 LYS 15 HZ2 LYS 15 2.480 -13.759 -1.632
113 HZ3 LYS 15 HZ3 LYS 15 3.103 -12.231 -1.245
114 H GLY 16 H GLY 16 -0.376 -7.840 0.167
115 HA2 GLY 16 HA2 GLY 16 -3.125 -8.566 0.887
116 HA3 GLY 16 HA3 GLY 16 -1.876 -8.122 2.032
117 H LEU 17 H LEU 17 -0.799 -5.996 1.261
118 HA LEU 17 HA LEU 17 -2.526 -4.232 2.431
119 HB2 LEU 17 HB2 LEU 17 0.178 -3.918 1.227
120 HB3 LEU 17 HB3 LEU 17 -0.710 -2.512 1.806
121 HG LEU 17 HG LEU 17 0.843 -3.293 3.508
122 HD11 LEU 17 HD11 LEU 17 -1.221 -2.275 4.265
123 HD12 LEU 17 HD12 LEU 17 -0.725 -3.554 5.377
124 HD13 LEU 17 HD13 LEU 17 -2.033 -3.839 4.227
125 HD21 LEU 17 HD21 LEU 17 -0.681 -5.892 3.421
126 HD22 LEU 17 HD22 LEU 17 0.550 -5.459 4.606
127 HD23 LEU 17 HD23 LEU 17 0.988 -5.642 2.907
128 H ALA 18 H ALA 18 -2.600 -4.964 -0.879
129 HA ALA 18 HA ALA 18 -3.451 -2.409 -1.723
130 HB1 ALA 18 HB1 ALA 18 -4.872 -3.694 -3.401
131 HB2 ALA 18 HB2 ALA 18 -4.159 -5.158 -2.712
132 HB3 ALA 18 HB3 ALA 18 -3.125 -3.927 -3.455
133 H LYS 19 H LYS 19 -4.652 -4.683 0.460
134 HA LYS 19 HA LYS 19 -7.404 -4.262 0.582
135 HB2 LYS 19 HB2 LYS 19 -7.121 -5.185 2.826
136 HB3 LYS 19 HB3 LYS 19 -6.159 -6.053 1.667
137 HG2 LYS 19 HG2 LYS 19 -4.658 -5.904 3.347
138 HG3 LYS 19 HG3 LYS 19 -4.286 -4.423 2.472
139 HD2 LYS 19 HD2 LYS 19 -4.377 -3.988 4.849
140 HD3 LYS 19 HD3 LYS 19 -5.699 -3.164 4.018
141 HE2 LYS 19 HE2 LYS 19 -7.262 -4.830 4.734
142 HE3 LYS 19 HE3 LYS 19 -5.968 -5.825 5.397
143 HZ1 LYS 19 HZ1 LYS 19 -7.158 -4.581 7.112
144 HZ2 LYS 19 HZ2 LYS 19 -6.697 -3.118 6.387
145 HZ3 LYS 19 HZ3 LYS 19 -5.522 -4.145 7.044
146 H VAL 20 H VAL 20 -4.708 -2.527 1.818
147 HA VAL 20 HA VAL 20 -6.391 -0.535 3.171
148 HB VAL 20 HB VAL 20 -4.329 -1.490 4.229
149 HG11 VAL 20 HG11 VAL 20 -2.187 -0.311 3.416
150 HG12 VAL 20 HG12 VAL 20 -3.102 -0.148 1.899
151 HG13 VAL 20 HG13 VAL 20 -2.790 -1.754 2.580
152 HG21 VAL 20 HG21 VAL 20 -3.507 0.618 5.138
153 HG22 VAL 20 HG22 VAL 20 -5.267 0.601 5.035
154 HG23 VAL 20 HG23 VAL 20 -4.322 1.488 3.839
155 H LEU 21 H LEU 21 -4.325 -1.055 0.515
156 HA LEU 21 HA LEU 21 -3.497 1.339 -0.387
157 HB2 LEU 21 HB2 LEU 21 -3.857 -1.257 -1.278
158 HB3 LEU 21 HB3 LEU 21 -4.520 -0.224 -2.536
159 HG LEU 21 HG LEU 21 -2.126 -0.888 -2.727
160 HD11 LEU 21 HD11 LEU 21 -1.479 1.398 -3.499
161 HD12 LEU 21 HD12 LEU 21 -2.900 2.033 -2.660
162 HD13 LEU 21 HD13 LEU 21 -3.097 0.930 -4.022
163 HD21 LEU 21 HD21 LEU 21 -1.589 1.316 -0.762
164 HD22 LEU 21 HD22 LEU 21 -0.489 0.061 -1.350
165 HD23 LEU 21 HD23 LEU 21 -1.778 -0.354 -0.211
166 H ALA 22 H ALA 22 -6.373 -0.190 -1.703
167 HA ALA 22 HA ALA 22 -7.123 2.020 -3.320
168 HB1 ALA 22 HB1 ALA 22 -9.156 0.750 -3.746
169 HB2 ALA 22 HB2 ALA 22 -8.733 -0.349 -2.431
170 HB3 ALA 22 HB3 ALA 22 -7.713 -0.255 -3.869
171 H GLU 23 H GLU 23 -7.212 1.670 -0.184
172 HA GLU 23 HA GLU 23 -9.865 2.627 0.478
173 HB2 GLU 23 HB2 GLU 23 -7.592 1.854 2.255
174 HB3 GLU 23 HB3 GLU 23 -9.330 1.729 2.584
175 HG2 GLU 23 HG2 GLU 23 -8.326 0.287 0.232
176 HG3 GLU 23 HG3 GLU 23 -7.766 -0.317 1.779
177 H LYS 24 H LYS 24 -6.520 3.218 1.314
178 HA LYS 24 HA LYS 24 -7.059 5.913 2.290
179 HB2 LYS 24 HB2 LYS 24 -4.380 4.718 2.424
180 HB3 LYS 24 HB3 LYS 24 -5.293 5.543 3.645
181 HG2 LYS 24 HG2 LYS 24 -6.140 2.835 2.790
182 HG3 LYS 24 HG3 LYS 24 -4.747 3.002 3.848
183 HD2 LYS 24 HD2 LYS 24 -6.756 2.493 5.091
184 HD3 LYS 24 HD3 LYS 24 -6.132 4.085 5.536
185 HE2 LYS 24 HE2 LYS 24 -8.228 3.880 3.434
186 HE3 LYS 24 HE3 LYS 24 -8.699 3.670 5.118
187 HZ1 LYS 24 HZ1 LYS 24 -8.942 5.970 4.354
188 HZ2 LYS 24 HZ2 LYS 24 -7.281 6.051 4.035
189 HZ3 LYS 24 HZ3 LYS 24 -7.826 5.848 5.625
190 H TYR 25 H TYR 25 -4.739 4.170 0.340
191 HA TYR 25 HA TYR 25 -3.311 6.513 -0.368
192 HB2 TYR 25 HB2 TYR 25 -3.064 3.707 -1.384
193 HB3 TYR 25 HB3 TYR 25 -1.812 4.924 -1.445
194 HD1 TYR 25 HD1 TYR 25 -3.949 2.998 0.700
195 HD2 TYR 25 HD2 TYR 25 -0.209 4.951 0.363
196 HE1 TYR 25 HE1 TYR 25 -3.267 1.996 2.749
197 HE2 TYR 25 HE2 TYR 25 0.521 3.946 2.505
198 HH TYR 25 HH TYR 25 -0.689 2.988 4.600
199 H ALA 26 H ALA 26 -4.800 3.862 -2.137
200 HA ALA 26 HA ALA 26 -4.811 5.205 -4.674
201 HB1 ALA 26 HB1 ALA 26 -6.206 2.719 -3.694
202 HB2 ALA 26 HB2 ALA 26 -4.644 2.795 -4.515
203 HB3 ALA 26 HB3 ALA 26 -6.121 3.228 -5.382
204 H ASN 27 H ASN 27 -6.782 5.142 -1.937
205 HA ASN 27 HA ASN 27 -9.330 5.742 -2.702
206 HB2 ASN 27 HB2 ASN 27 -8.613 5.574 -0.398
207 HB3 ASN 27 HB3 ASN 27 -7.637 7.025 -0.559
208 HD21 ASN 27 HD21 ASN 27 -8.715 8.010 1.141
209 HD22 ASN 27 HD22 ASN 27 -10.322 8.636 0.975
Start of MODEL 9
1 H1 GLY 1 H1 GLY 1 15.748 3.420 -0.495
2 H2 GLY 1 H2 GLY 1 16.262 2.493 -1.818
3 H3 GLY 1 H3 GLY 1 16.871 2.171 -0.268
4 HA2 GLY 1 HA3 GLY 1 14.047 1.830 -1.112
5 HA3 GLY 1 HA2 GLY 1 15.214 0.530 -0.896
6 H ILE 2 H ILE 2 12.751 2.221 0.565
7 HA ILE 2 HA ILE 2 13.782 1.722 3.269
8 HB ILE 2 HB ILE 2 11.487 3.451 2.334
9 HG12 ILE 2 HG12 ILE 2 13.610 4.473 1.825
10 HG13 ILE 2 HG13 ILE 2 12.898 5.309 3.201
11 HG21 ILE 2 HG21 ILE 2 10.970 2.460 4.460
12 HG22 ILE 2 HG22 ILE 2 11.319 4.180 4.661
13 HG23 ILE 2 HG23 ILE 2 12.528 2.978 5.113
14 HD11 ILE 2 HD11 ILE 2 15.280 4.976 3.516
15 HD12 ILE 2 HD12 ILE 2 15.073 3.235 3.334
16 HD13 ILE 2 HD13 ILE 2 14.356 4.068 4.712
17 H GLY 3 H GLY 3 10.471 1.943 2.081
18 HA2 GLY 3 HA2 GLY 3 9.791 -0.678 1.850
19 HA3 GLY 3 HA3 GLY 3 9.686 -0.359 3.573
20 H GLY 4 H GLY 4 8.273 1.387 4.266
21 HA2 GLY 4 HA2 GLY 4 5.727 1.104 2.942
22 HA3 GLY 4 HA3 GLY 4 6.035 1.957 4.443
23 H VAL 5 H VAL 5 7.967 2.726 1.747
24 HA VAL 5 HA VAL 5 6.892 5.406 1.628
25 HB VAL 5 HB VAL 5 9.214 5.460 1.680
26 HG11 VAL 5 HG11 VAL 5 10.690 3.974 0.400
27 HG12 VAL 5 HG12 VAL 5 9.277 3.184 -0.318
28 HG13 VAL 5 HG13 VAL 5 9.581 3.045 1.414
29 HG21 VAL 5 HG21 VAL 5 8.652 5.379 -1.273
30 HG22 VAL 5 HG22 VAL 5 9.966 6.245 -0.464
31 HG23 VAL 5 HG23 VAL 5 8.291 6.751 -0.221
32 H LEU 6 H LEU 6 7.444 2.662 -0.515
33 HA LEU 6 HA LEU 6 5.125 2.842 -1.988
34 HB2 LEU 6 HB2 LEU 6 5.600 3.954 -3.988
35 HB3 LEU 6 HB3 LEU 6 6.233 5.016 -2.758
36 HG LEU 6 HG LEU 6 7.788 5.129 -4.475
37 HD11 LEU 6 HD11 LEU 6 8.875 3.078 -2.568
38 HD12 LEU 6 HD12 LEU 6 8.932 4.831 -2.388
39 HD13 LEU 6 HD13 LEU 6 9.837 4.048 -3.685
40 HD21 LEU 6 HD21 LEU 6 7.677 2.134 -4.735
41 HD22 LEU 6 HD22 LEU 6 8.746 3.202 -5.645
42 HD23 LEU 6 HD23 LEU 6 6.999 3.318 -5.853
43 H LEU 7 H LEU 7 8.300 1.908 -1.445
44 HA LEU 7 HA LEU 7 8.672 0.090 -3.560
45 HB2 LEU 7 HB2 LEU 7 10.530 1.080 -2.401
46 HB3 LEU 7 HB3 LEU 7 10.000 0.393 -0.880
47 HG LEU 7 HG LEU 7 11.988 -0.663 -2.244
48 HD11 LEU 7 HD11 LEU 7 11.114 -1.348 -0.093
49 HD12 LEU 7 HD12 LEU 7 11.464 -2.757 -1.104
50 HD13 LEU 7 HD13 LEU 7 9.797 -2.197 -0.893
51 HD21 LEU 7 HD21 LEU 7 9.534 -1.999 -3.403
52 HD22 LEU 7 HD22 LEU 7 11.190 -2.606 -3.550
53 HD23 LEU 7 HD23 LEU 7 10.744 -1.070 -4.298
54 H SER 8 H SER 8 8.193 -0.716 -0.076
55 HA SER 8 HA SER 8 7.154 -3.283 -1.063
56 HB2 SER 8 HB2 SER 8 7.379 -4.110 1.237
57 HB3 SER 8 HB3 SER 8 8.912 -3.521 0.597
58 HG SER 8 HG SER 8 8.546 -2.772 2.729
59 H ALA 9 H ALA 9 6.344 -0.342 0.367
60 HA ALA 9 HA ALA 9 3.679 -0.679 1.021
61 HB1 ALA 9 HB1 ALA 9 4.559 1.468 1.268
62 HB2 ALA 9 HB2 ALA 9 3.508 1.637 -0.144
63 HB3 ALA 9 HB3 ALA 9 5.260 1.463 -0.352
64 H GLY 10 H GLY 10 5.390 -1.003 -1.996
65 HA2 GLY 10 HA2 GLY 10 2.896 -1.385 -3.467
66 HA3 GLY 10 HA3 GLY 10 4.511 -1.357 -4.157
67 H LYS 11 H LYS 11 5.905 -3.133 -2.865
68 HA LYS 11 HA LYS 11 5.356 -5.565 -3.973
69 HB2 LYS 11 HB2 LYS 11 6.889 -4.666 -1.599
70 HB3 LYS 11 HB3 LYS 11 6.867 -6.371 -2.052
71 HG2 LYS 11 HG2 LYS 11 8.074 -5.989 -3.979
72 HG3 LYS 11 HG3 LYS 11 7.587 -4.292 -4.065
73 HD2 LYS 11 HD2 LYS 11 9.988 -4.825 -3.318
74 HD3 LYS 11 HD3 LYS 11 9.034 -3.658 -2.386
75 HE2 LYS 11 HE2 LYS 11 10.063 -5.108 -0.813
76 HE3 LYS 11 HE3 LYS 11 8.335 -5.507 -0.911
77 HZ1 LYS 11 HZ1 LYS 11 8.843 -7.415 -2.250
78 HZ2 LYS 11 HZ2 LYS 11 9.828 -7.478 -0.873
79 HZ3 LYS 11 HZ3 LYS 11 10.482 -6.989 -2.357
80 H ALA 12 H ALA 12 4.778 -4.718 -0.549
81 HA ALA 12 HA ALA 12 3.591 -7.242 0.003
82 HB1 ALA 12 HB1 ALA 12 3.031 -6.292 2.174
83 HB2 ALA 12 HB2 ALA 12 3.428 -4.676 1.586
84 HB3 ALA 12 HB3 ALA 12 4.694 -5.896 1.737
85 H ALA 13 H ALA 13 2.487 -4.264 -1.287
86 HA ALA 13 HA ALA 13 -0.256 -4.503 -0.571
87 HB1 ALA 13 HB1 ALA 13 0.768 -3.006 -2.968
88 HB2 ALA 13 HB2 ALA 13 0.828 -2.374 -1.323
89 HB3 ALA 13 HB3 ALA 13 -0.737 -2.735 -2.073
90 H LEU 14 H LEU 14 1.586 -5.555 -3.433
91 HA LEU 14 HA LEU 14 -0.564 -6.395 -5.003
92 HB2 LEU 14 HB2 LEU 14 2.034 -7.913 -4.745
93 HB3 LEU 14 HB3 LEU 14 0.900 -8.010 -6.069
94 HG LEU 14 HG LEU 14 2.341 -6.659 -7.099
95 HD11 LEU 14 HD11 LEU 14 1.111 -4.602 -5.284
96 HD12 LEU 14 HD12 LEU 14 0.471 -5.165 -6.828
97 HD13 LEU 14 HD13 LEU 14 1.986 -4.261 -6.777
98 HD21 LEU 14 HD21 LEU 14 4.051 -5.330 -5.977
99 HD22 LEU 14 HD22 LEU 14 4.025 -6.997 -5.395
100 HD23 LEU 14 HD23 LEU 14 3.321 -5.713 -4.416
101 H LYS 15 H LYS 15 0.797 -7.713 -2.119
102 HA LYS 15 HA LYS 15 -0.586 -10.234 -2.467
103 HB2 LYS 15 HB2 LYS 15 1.213 -9.335 -0.241
104 HB3 LYS 15 HB3 LYS 15 0.743 -10.992 -0.616
105 HG2 LYS 15 HG2 LYS 15 2.403 -9.177 -2.331
106 HG3 LYS 15 HG3 LYS 15 3.021 -10.521 -1.368
107 HD2 LYS 15 HD2 LYS 15 1.122 -10.658 -3.705
108 HD3 LYS 15 HD3 LYS 15 2.816 -11.166 -3.699
109 HE2 LYS 15 HE2 LYS 15 2.363 -12.948 -2.204
110 HE3 LYS 15 HE3 LYS 15 0.751 -12.323 -1.865
111 HZ1 LYS 15 HZ1 LYS 15 1.661 -13.379 -4.488
112 HZ2 LYS 15 HZ2 LYS 15 0.098 -12.825 -4.124
113 HZ3 LYS 15 HZ3 LYS 15 0.698 -14.225 -3.375
114 H GLY 16 H GLY 16 -0.141 -7.991 0.279
115 HA2 GLY 16 HA2 GLY 16 -2.886 -8.597 1.110
116 HA3 GLY 16 HA3 GLY 16 -1.600 -8.117 2.197
117 H LEU 17 H LEU 17 -0.483 -6.074 1.265
118 HA LEU 17 HA LEU 17 -2.146 -4.259 2.455
119 HB2 LEU 17 HB2 LEU 17 0.534 -3.991 1.182
120 HB3 LEU 17 HB3 LEU 17 -0.323 -2.578 1.796
121 HG LEU 17 HG LEU 17 1.236 -3.326 3.466
122 HD11 LEU 17 HD11 LEU 17 -0.265 -3.674 5.353
123 HD12 LEU 17 HD12 LEU 17 -1.575 -4.081 4.246
124 HD13 LEU 17 HD13 LEU 17 -0.902 -2.452 4.252
125 HD21 LEU 17 HD21 LEU 17 1.504 -5.639 2.793
126 HD22 LEU 17 HD22 LEU 17 -0.141 -6.001 3.309
127 HD23 LEU 17 HD23 LEU 17 1.076 -5.547 4.501
128 H ALA 18 H ALA 18 -2.300 -5.018 -0.844
129 HA ALA 18 HA ALA 18 -3.056 -2.421 -1.683
130 HB1 ALA 18 HB1 ALA 18 -4.495 -3.635 -3.391
131 HB2 ALA 18 HB2 ALA 18 -3.837 -5.129 -2.716
132 HB3 ALA 18 HB3 ALA 18 -2.759 -3.923 -3.431
133 H LYS 19 H LYS 19 -4.334 -4.680 0.463
134 HA LYS 19 HA LYS 19 -7.078 -4.179 0.522
135 HB2 LYS 19 HB2 LYS 19 -6.907 -5.229 2.699
136 HB3 LYS 19 HB3 LYS 19 -5.852 -6.040 1.579
137 HG2 LYS 19 HG2 LYS 19 -4.488 -5.946 3.385
138 HG3 LYS 19 HG3 LYS 19 -4.054 -4.441 2.579
139 HD2 LYS 19 HD2 LYS 19 -4.320 -3.988 4.909
140 HD3 LYS 19 HD3 LYS 19 -5.669 -3.262 4.032
141 HE2 LYS 19 HE2 LYS 19 -6.474 -4.334 6.050
142 HE3 LYS 19 HE3 LYS 19 -7.072 -5.193 4.632
143 HZ1 LYS 19 HZ1 LYS 19 -6.300 -6.728 6.318
144 HZ2 LYS 19 HZ2 LYS 19 -4.765 -6.014 6.322
145 HZ3 LYS 19 HZ3 LYS 19 -5.311 -6.839 4.945
146 H VAL 20 H VAL 20 -4.338 -2.579 1.855
147 HA VAL 20 HA VAL 20 -5.957 -0.575 3.263
148 HB VAL 20 HB VAL 20 -3.934 -1.648 4.294
149 HG11 VAL 20 HG11 VAL 20 -1.751 -0.498 3.550
150 HG12 VAL 20 HG12 VAL 20 -2.641 -0.243 2.032
151 HG13 VAL 20 HG13 VAL 20 -2.386 -1.885 2.651
152 HG21 VAL 20 HG21 VAL 20 -4.826 0.446 5.168
153 HG22 VAL 20 HG22 VAL 20 -3.813 1.344 4.035
154 HG23 VAL 20 HG23 VAL 20 -3.068 0.382 5.312
155 H LEU 21 H LEU 21 -3.892 -1.076 0.603
156 HA LEU 21 HA LEU 21 -2.952 1.296 -0.232
157 HB2 LEU 21 HB2 LEU 21 -3.425 -1.248 -1.175
158 HB3 LEU 21 HB3 LEU 21 -4.109 -0.183 -2.393
159 HG LEU 21 HG LEU 21 -1.731 -0.896 -2.700
160 HD11 LEU 21 HD11 LEU 21 -2.463 2.030 -2.551
161 HD12 LEU 21 HD12 LEU 21 -2.699 0.955 -3.931
162 HD13 LEU 21 HD13 LEU 21 -1.067 1.405 -3.433
163 HD21 LEU 21 HD21 LEU 21 -1.019 1.283 -0.782
164 HD22 LEU 21 HD22 LEU 21 -0.047 -0.092 -1.332
165 HD23 LEU 21 HD23 LEU 21 -1.346 -0.338 -0.153
166 H ALA 22 H ALA 22 -5.901 -0.053 -1.576
167 HA ALA 22 HA ALA 22 -6.555 2.240 -3.108
168 HB1 ALA 22 HB1 ALA 22 -8.277 -0.073 -2.289
169 HB2 ALA 22 HB2 ALA 22 -7.272 0.026 -3.736
170 HB3 ALA 22 HB3 ALA 22 -8.661 1.094 -3.553
171 H GLU 23 H GLU 23 -6.652 1.831 0.025
172 HA GLU 23 HA GLU 23 -9.280 2.865 0.698
173 HB2 GLU 23 HB2 GLU 23 -7.052 1.906 2.440
174 HB3 GLU 23 HB3 GLU 23 -8.794 1.874 2.782
175 HG2 GLU 23 HG2 GLU 23 -7.820 0.463 0.378
176 HG3 GLU 23 HG3 GLU 23 -7.415 -0.251 1.924
177 H LYS 24 H LYS 24 -5.919 3.301 1.548
178 HA LYS 24 HA LYS 24 -6.362 5.945 2.693
179 HB2 LYS 24 HB2 LYS 24 -3.723 4.637 2.689
180 HB3 LYS 24 HB3 LYS 24 -4.561 5.439 3.977
181 HG2 LYS 24 HG2 LYS 24 -5.573 2.821 3.016
182 HG3 LYS 24 HG3 LYS 24 -4.138 2.859 4.028
183 HD2 LYS 24 HD2 LYS 24 -6.176 2.408 5.287
184 HD3 LYS 24 HD3 LYS 24 -5.375 3.890 5.831
185 HE2 LYS 24 HE2 LYS 24 -6.971 5.239 4.643
186 HE3 LYS 24 HE3 LYS 24 -7.676 3.804 3.904
187 HZ1 LYS 24 HZ1 LYS 24 -8.499 3.094 6.009
188 HZ2 LYS 24 HZ2 LYS 24 -8.964 4.711 5.802
189 HZ3 LYS 24 HZ3 LYS 24 -7.667 4.325 6.826
190 H TYR 25 H TYR 25 -4.191 4.243 0.570
191 HA TYR 25 HA TYR 25 -2.686 6.567 -0.056
192 HB2 TYR 25 HB2 TYR 25 -2.542 3.790 -1.168
193 HB3 TYR 25 HB3 TYR 25 -1.251 4.966 -1.206
194 HD1 TYR 25 HD1 TYR 25 -3.415 3.031 0.896
195 HD2 TYR 25 HD2 TYR 25 0.368 4.899 0.593
196 HE1 TYR 25 HE1 TYR 25 -2.740 1.943 2.906
197 HE2 TYR 25 HE2 TYR 25 1.087 3.807 2.691
198 HH TYR 25 HH TYR 25 -0.011 2.818 4.712
199 H ALA 26 H ALA 26 -4.287 4.015 -1.886
200 HA ALA 26 HA ALA 26 -4.288 5.441 -4.382
201 HB1 ALA 26 HB1 ALA 26 -5.619 3.546 -5.168
202 HB2 ALA 26 HB2 ALA 26 -5.816 3.000 -3.500
203 HB3 ALA 26 HB3 ALA 26 -4.217 3.000 -4.246
204 H ASN 27 H ASN 27 -6.252 5.316 -1.626
205 HA ASN 27 HA ASN 27 -8.759 6.090 -2.330
206 HB2 ASN 27 HB2 ASN 27 -8.154 5.835 -0.051
207 HB3 ASN 27 HB3 ASN 27 -6.927 7.089 -0.161
208 HD21 ASN 27 HD21 ASN 27 -10.306 6.381 0.119
209 HD22 ASN 27 HD22 ASN 27 -10.824 7.980 0.545
Start of MODEL 10
1 H1 GLY 1 H1 GLY 1 17.104 1.346 0.155
2 H2 GLY 1 H2 GLY 1 17.134 0.138 -1.036
3 H3 GLY 1 H3 GLY 1 17.249 -0.283 0.601
4 HA2 GLY 1 HA3 GLY 1 14.890 0.918 -0.746
5 HA3 GLY 1 HA2 GLY 1 15.036 -0.749 -0.207
6 H ILE 2 H ILE 2 13.214 1.582 0.551
7 HA ILE 2 HA ILE 2 13.897 1.899 3.372
8 HB ILE 2 HB ILE 2 11.721 3.157 1.696
9 HG12 ILE 2 HG12 ILE 2 13.903 4.014 1.103
10 HG13 ILE 2 HG13 ILE 2 13.028 5.236 2.017
11 HG21 ILE 2 HG21 ILE 2 11.285 4.582 3.617
12 HG22 ILE 2 HG22 ILE 2 12.474 3.677 4.559
13 HG23 ILE 2 HG23 ILE 2 11.007 2.878 3.981
14 HD11 ILE 2 HD11 ILE 2 15.166 3.428 3.115
15 HD12 ILE 2 HD12 ILE 2 14.296 4.673 4.010
16 HD13 ILE 2 HD13 ILE 2 15.362 5.127 2.682
17 H GLY 3 H GLY 3 10.764 1.629 1.810
18 HA2 GLY 3 HA2 GLY 3 9.912 -0.814 2.075
19 HA3 GLY 3 HA3 GLY 3 9.948 -0.352 3.770
20 H GLY 4 H GLY 4 8.735 1.559 4.369
21 HA2 GLY 4 HA2 GLY 4 6.085 1.347 3.201
22 HA3 GLY 4 HA3 GLY 4 6.497 2.136 4.714
23 H VAL 5 H VAL 5 8.112 2.744 1.678
24 HA VAL 5 HA VAL 5 7.295 5.531 1.848
25 HB VAL 5 HB VAL 5 9.618 5.391 1.605
26 HG11 VAL 5 HG11 VAL 5 9.724 3.003 1.033
27 HG12 VAL 5 HG12 VAL 5 10.793 3.971 0.020
28 HG13 VAL 5 HG13 VAL 5 9.256 3.383 -0.623
29 HG21 VAL 5 HG21 VAL 5 8.566 6.964 0.023
30 HG22 VAL 5 HG22 VAL 5 8.620 5.703 -1.215
31 HG23 VAL 5 HG23 VAL 5 10.121 6.351 -0.547
32 H LEU 6 H LEU 6 7.431 2.899 -0.504
33 HA LEU 6 HA LEU 6 4.887 3.095 -1.495
34 HB2 LEU 6 HB2 LEU 6 4.919 4.359 -3.474
35 HB3 LEU 6 HB3 LEU 6 5.688 5.381 -2.287
36 HG LEU 6 HG LEU 6 6.915 5.736 -4.226
37 HD11 LEU 6 HD11 LEU 6 8.456 5.433 -2.458
38 HD12 LEU 6 HD12 LEU 6 9.135 4.667 -3.895
39 HD13 LEU 6 HD13 LEU 6 8.406 3.680 -2.627
40 HD21 LEU 6 HD21 LEU 6 6.968 2.769 -4.730
41 HD22 LEU 6 HD22 LEU 6 7.752 4.001 -5.722
42 HD23 LEU 6 HD23 LEU 6 5.994 3.964 -5.591
43 H LEU 7 H LEU 7 8.150 2.352 -1.727
44 HA LEU 7 HA LEU 7 8.252 0.754 -4.025
45 HB2 LEU 7 HB2 LEU 7 10.106 1.739 -2.438
46 HB3 LEU 7 HB3 LEU 7 9.980 0.170 -1.658
47 HG LEU 7 HG LEU 7 11.760 -0.001 -3.164
48 HD11 LEU 7 HD11 LEU 7 10.429 -1.958 -3.330
49 HD12 LEU 7 HD12 LEU 7 10.904 -1.529 -4.975
50 HD13 LEU 7 HD13 LEU 7 9.271 -1.166 -4.397
51 HD21 LEU 7 HD21 LEU 7 11.788 0.831 -5.376
52 HD22 LEU 7 HD22 LEU 7 11.104 2.101 -4.353
53 HD23 LEU 7 HD23 LEU 7 10.045 1.114 -5.361
54 H SER 8 H SER 8 8.500 -0.519 -0.690
55 HA SER 8 HA SER 8 7.416 -3.033 -1.733
56 HB2 SER 8 HB2 SER 8 8.161 -4.011 0.421
57 HB3 SER 8 HB3 SER 8 9.484 -3.286 -0.493
58 HG SER 8 HG SER 8 9.301 -2.796 1.861
59 H ALA 9 H ALA 9 6.743 -0.346 0.219
60 HA ALA 9 HA ALA 9 4.305 -0.951 1.324
61 HB1 ALA 9 HB1 ALA 9 5.470 1.415 -0.085
62 HB2 ALA 9 HB2 ALA 9 5.020 1.233 1.618
63 HB3 ALA 9 HB3 ALA 9 3.765 1.445 0.393
64 H GLY 10 H GLY 10 5.337 -0.800 -2.004
65 HA2 GLY 10 HA2 GLY 10 2.614 -1.109 -3.006
66 HA3 GLY 10 HA3 GLY 10 4.071 -0.939 -3.973
67 H LYS 11 H LYS 11 5.662 -2.863 -2.960
68 HA LYS 11 HA LYS 11 4.902 -5.168 -4.292
69 HB2 LYS 11 HB2 LYS 11 6.855 -4.485 -2.169
70 HB3 LYS 11 HB3 LYS 11 6.742 -6.139 -2.780
71 HG2 LYS 11 HG2 LYS 11 7.554 -5.546 -4.849
72 HG3 LYS 11 HG3 LYS 11 7.077 -3.848 -4.672
73 HD2 LYS 11 HD2 LYS 11 9.565 -4.415 -4.437
74 HD3 LYS 11 HD3 LYS 11 8.812 -3.410 -3.183
75 HE2 LYS 11 HE2 LYS 11 8.434 -5.377 -1.817
76 HE3 LYS 11 HE3 LYS 11 9.234 -6.389 -3.029
77 HZ1 LYS 11 HZ1 LYS 11 10.832 -5.925 -1.357
78 HZ2 LYS 11 HZ2 LYS 11 10.501 -4.266 -1.386
79 HZ3 LYS 11 HZ3 LYS 11 11.259 -4.995 -2.710
80 H ALA 12 H ALA 12 4.852 -4.553 -0.776
81 HA ALA 12 HA ALA 12 3.781 -7.094 -0.157
82 HB1 ALA 12 HB1 ALA 12 3.305 -6.163 2.061
83 HB2 ALA 12 HB2 ALA 12 3.662 -4.547 1.452
84 HB3 ALA 12 HB3 ALA 12 4.938 -5.762 1.527
85 H ALA 13 H ALA 13 2.477 -4.197 -1.358
86 HA ALA 13 HA ALA 13 -0.237 -4.614 -0.543
87 HB1 ALA 13 HB1 ALA 13 0.646 -2.392 -1.226
88 HB2 ALA 13 HB2 ALA 13 -0.859 -2.850 -2.035
89 HB3 ALA 13 HB3 ALA 13 0.686 -2.970 -2.893
90 H LEU 14 H LEU 14 1.671 -5.505 -3.369
91 HA LEU 14 HA LEU 14 -0.195 -6.605 -5.073
92 HB2 LEU 14 HB2 LEU 14 2.474 -7.729 -4.211
93 HB3 LEU 14 HB3 LEU 14 1.513 -8.452 -5.476
94 HG LEU 14 HG LEU 14 2.270 -7.012 -7.019
95 HD11 LEU 14 HD11 LEU 14 2.215 -4.780 -4.994
96 HD12 LEU 14 HD12 LEU 14 0.962 -5.128 -6.187
97 HD13 LEU 14 HD13 LEU 14 2.562 -4.608 -6.713
98 HD21 LEU 14 HD21 LEU 14 4.181 -6.566 -4.738
99 HD22 LEU 14 HD22 LEU 14 4.490 -6.004 -6.387
100 HD23 LEU 14 HD23 LEU 14 4.309 -7.730 -6.061
101 H LYS 15 H LYS 15 1.009 -7.762 -2.023
102 HA LYS 15 HA LYS 15 -0.340 -10.299 -2.280
103 HB2 LYS 15 HB2 LYS 15 1.375 -9.224 -0.062
104 HB3 LYS 15 HB3 LYS 15 0.944 -10.907 -0.341
105 HG2 LYS 15 HG2 LYS 15 2.594 -9.198 -2.182
106 HG3 LYS 15 HG3 LYS 15 3.237 -10.401 -1.057
107 HD2 LYS 15 HD2 LYS 15 1.308 -10.937 -3.303
108 HD3 LYS 15 HD3 LYS 15 3.048 -11.253 -3.362
109 HE2 LYS 15 HE2 LYS 15 2.810 -12.739 -1.433
110 HE3 LYS 15 HE3 LYS 15 1.067 -12.487 -1.454
111 HZ1 LYS 15 HZ1 LYS 15 0.981 -13.463 -3.658
112 HZ2 LYS 15 HZ2 LYS 15 1.682 -14.551 -2.560
113 HZ3 LYS 15 HZ3 LYS 15 2.662 -13.700 -3.651
114 H GLY 16 H GLY 16 -0.022 -7.955 0.382
115 HA2 GLY 16 HA2 GLY 16 -2.739 -8.666 1.231
116 HA3 GLY 16 HA3 GLY 16 -1.467 -8.111 2.302
117 H LEU 17 H LEU 17 -0.449 -6.026 1.226
118 HA LEU 17 HA LEU 17 -2.178 -4.280 2.458
119 HB2 LEU 17 HB2 LEU 17 0.474 -3.903 1.145
120 HB3 LEU 17 HB3 LEU 17 -0.432 -2.541 1.809
121 HG LEU 17 HG LEU 17 1.124 -3.198 3.472
122 HD11 LEU 17 HD11 LEU 17 -0.341 -3.865 5.324
123 HD12 LEU 17 HD12 LEU 17 -1.594 -4.305 4.161
124 HD13 LEU 17 HD13 LEU 17 -1.079 -2.624 4.309
125 HD21 LEU 17 HD21 LEU 17 1.257 -5.464 4.381
126 HD22 LEU 17 HD22 LEU 17 1.662 -5.432 2.664
127 HD23 LEU 17 HD23 LEU 17 0.080 -6.014 3.188
128 H ALA 18 H ALA 18 -2.304 -5.104 -0.813
129 HA ALA 18 HA ALA 18 -3.152 -2.576 -1.741
130 HB1 ALA 18 HB1 ALA 18 -4.594 -3.914 -3.361
131 HB2 ALA 18 HB2 ALA 18 -3.866 -5.350 -2.636
132 HB3 ALA 18 HB3 ALA 18 -2.848 -4.142 -3.428
133 H LYS 19 H LYS 19 -4.407 -4.826 0.479
134 HA LYS 19 HA LYS 19 -7.153 -4.305 0.516
135 HB2 LYS 19 HB2 LYS 19 -7.102 -5.575 2.428
136 HB3 LYS 19 HB3 LYS 19 -5.565 -6.005 1.737
137 HG2 LYS 19 HG2 LYS 19 -4.976 -3.794 3.261
138 HG3 LYS 19 HG3 LYS 19 -6.159 -4.669 4.235
139 HD2 LYS 19 HD2 LYS 19 -3.544 -5.688 3.149
140 HD3 LYS 19 HD3 LYS 19 -3.988 -5.450 4.842
141 HE2 LYS 19 HE2 LYS 19 -5.530 -7.287 3.065
142 HE3 LYS 19 HE3 LYS 19 -4.060 -7.838 3.874
143 HZ1 LYS 19 HZ1 LYS 19 -5.095 -7.194 5.999
144 HZ2 LYS 19 HZ2 LYS 19 -5.968 -8.403 5.191
145 HZ3 LYS 19 HZ3 LYS 19 -6.525 -6.800 5.177
146 H VAL 20 H VAL 20 -4.414 -2.654 1.869
147 HA VAL 20 HA VAL 20 -6.065 -0.660 3.244
148 HB VAL 20 HB VAL 20 -4.102 -1.764 4.326
149 HG11 VAL 20 HG11 VAL 20 -2.478 -2.068 2.833
150 HG12 VAL 20 HG12 VAL 20 -1.902 -0.557 3.563
151 HG13 VAL 20 HG13 VAL 20 -2.786 -0.524 2.023
152 HG21 VAL 20 HG21 VAL 20 -3.845 1.220 4.064
153 HG22 VAL 20 HG22 VAL 20 -3.220 0.229 5.383
154 HG23 VAL 20 HG23 VAL 20 -4.961 0.387 5.147
155 H LEU 21 H LEU 21 -4.032 -1.207 0.604
156 HA LEU 21 HA LEU 21 -3.027 1.148 -0.240
157 HB2 LEU 21 HB2 LEU 21 -3.591 -1.391 -1.194
158 HB3 LEU 21 HB3 LEU 21 -4.201 -0.278 -2.407
159 HG LEU 21 HG LEU 21 -1.857 -1.124 -2.640
160 HD11 LEU 21 HD11 LEU 21 -1.067 1.150 -3.384
161 HD12 LEU 21 HD12 LEU 21 -2.492 1.827 -2.584
162 HD13 LEU 21 HD13 LEU 21 -2.684 0.728 -3.951
163 HD21 LEU 21 HD21 LEU 21 -0.155 -0.322 -1.271
164 HD22 LEU 21 HD22 LEU 21 -1.473 -0.572 -0.113
165 HD23 LEU 21 HD23 LEU 21 -1.121 1.051 -0.723
166 H ALA 22 H ALA 22 -6.008 -0.161 -1.530
167 HA ALA 22 HA ALA 22 -6.704 2.106 -3.067
168 HB1 ALA 22 HB1 ALA 22 -8.839 0.984 -3.399
169 HB2 ALA 22 HB2 ALA 22 -8.438 -0.150 -2.111
170 HB3 ALA 22 HB3 ALA 22 -7.483 -0.121 -3.594
171 H GLU 23 H GLU 23 -6.648 1.764 0.073
172 HA GLU 23 HA GLU 23 -9.183 2.931 0.838
173 HB2 GLU 23 HB2 GLU 23 -6.918 1.949 2.518
174 HB3 GLU 23 HB3 GLU 23 -8.645 1.988 2.925
175 HG2 GLU 23 HG2 GLU 23 -7.900 0.469 0.528
176 HG3 GLU 23 HG3 GLU 23 -7.301 -0.188 2.041
177 H LYS 24 H LYS 24 -5.779 3.255 1.589
178 HA LYS 24 HA LYS 24 -6.112 5.941 2.674
179 HB2 LYS 24 HB2 LYS 24 -3.517 4.551 2.660
180 HB3 LYS 24 HB3 LYS 24 -4.308 5.410 3.941
181 HG2 LYS 24 HG2 LYS 24 -5.408 2.812 3.045
182 HG3 LYS 24 HG3 LYS 24 -3.967 2.823 4.048
183 HD2 LYS 24 HD2 LYS 24 -5.973 2.451 5.351
184 HD3 LYS 24 HD3 LYS 24 -5.181 3.961 5.823
185 HE2 LYS 24 HE2 LYS 24 -6.834 5.265 4.796
186 HE3 LYS 24 HE3 LYS 24 -7.424 3.907 3.840
187 HZ1 LYS 24 HZ1 LYS 24 -8.434 2.950 5.717
188 HZ2 LYS 24 HZ2 LYS 24 -8.833 4.595 5.803
189 HZ3 LYS 24 HZ3 LYS 24 -7.610 3.965 6.794
190 H TYR 25 H TYR 25 -4.154 4.112 0.456
191 HA TYR 25 HA TYR 25 -2.500 6.345 -0.184
192 HB2 TYR 25 HB2 TYR 25 -2.548 3.554 -1.275
193 HB3 TYR 25 HB3 TYR 25 -1.204 4.665 -1.391
194 HD1 TYR 25 HD1 TYR 25 -3.371 2.896 0.848
195 HD2 TYR 25 HD2 TYR 25 0.497 4.522 0.314
196 HE1 TYR 25 HE1 TYR 25 -2.662 1.798 2.840
197 HE2 TYR 25 HE2 TYR 25 1.259 3.426 2.396
198 HH TYR 25 HH TYR 25 -0.475 0.957 3.867
199 H ALA 26 H ALA 26 -4.323 3.893 -1.933
200 HA ALA 26 HA ALA 26 -4.371 5.286 -4.428
201 HB1 ALA 26 HB1 ALA 26 -6.005 3.552 -5.052
202 HB2 ALA 26 HB2 ALA 26 -6.062 3.034 -3.364
203 HB3 ALA 26 HB3 ALA 26 -4.566 2.876 -4.286
204 H ASN 27 H ASN 27 -6.168 5.408 -1.544
205 HA ASN 27 HA ASN 27 -8.603 6.471 -2.079
206 HB2 ASN 27 HB2 ASN 27 -7.892 6.194 0.157
207 HB3 ASN 27 HB3 ASN 27 -6.499 7.236 -0.073
208 HD21 ASN 27 HD21 ASN 27 -6.743 9.444 0.083
209 HD22 ASN 27 HD22 ASN 27 -8.192 10.192 0.655
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