Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
635532 | 6n8c RC | 30545 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 HT1 ALA 1 14.473 8.791 -6.082
2 H2 ALA 1 HT2 ALA 1 12.797 8.614 -6.290
3 H3 ALA 1 HT3 ALA 1 13.873 7.629 -7.161
4 HA ALA 1 HA ALA 1 14.641 6.626 -5.081
5 HB1 ALA 1 HB1 ALA 1 13.389 7.092 -3.027
6 HB2 ALA 1 HB2 ALA 1 12.367 8.243 -3.889
7 HB3 ALA 1 HB3 ALA 1 14.081 8.588 -3.655
8 H THR 2 HN THR 2 13.713 4.634 -4.581
9 HA THR 2 HA THR 2 11.691 3.693 -6.336
10 HB THR 2 HB THR 2 11.851 1.601 -5.041
11 HG1 THR 2 HG1 THR 2 13.349 1.640 -3.262
12 HG21 THR 2 HG21 THR 2 14.266 1.216 -5.382
13 HG22 THR 2 HG22 THR 2 14.521 2.955 -5.520
14 HG23 THR 2 HG23 THR 2 13.565 2.105 -6.734
15 H LEU 3 HN LEU 3 11.683 4.648 -2.929
16 HA LEU 3 HA LEU 3 9.112 3.786 -2.232
17 HB2 LEU 3 HB2 LEU 3 10.736 6.154 -1.280
18 HB3 LEU 3 HB1 LEU 3 9.225 5.643 -0.528
19 HG LEU 3 HG LEU 3 11.583 3.784 -0.912
20 HD11 LEU 3 HD11 LEU 3 10.796 5.426 1.516
21 HD12 LEU 3 HD12 LEU 3 12.256 5.640 0.549
22 HD13 LEU 3 HD13 LEU 3 12.035 4.171 1.500
23 HD21 LEU 3 HD21 LEU 3 9.030 3.692 0.719
24 HD22 LEU 3 HD22 LEU 3 10.361 2.557 0.938
25 HD23 LEU 3 HD23 LEU 3 9.494 2.613 -0.596
26 H GLU 4 HN GLU 4 10.187 6.899 -3.586
27 HA GLU 4 HA GLU 4 7.704 8.190 -3.625
28 HB2 GLU 4 HB2 GLU 4 9.837 9.341 -4.055
29 HB3 GLU 4 HB1 GLU 4 9.994 8.477 -5.585
30 HG2 GLU 4 HG2 GLU 4 7.908 9.488 -6.393
31 HG3 GLU 4 HG1 GLU 4 7.706 10.326 -4.855
32 H LYS 5 HN LYS 5 9.273 6.191 -6.117
33 HA LYS 5 HA LYS 5 7.310 6.421 -8.098
34 HB2 LYS 5 HB2 LYS 5 9.517 5.417 -8.503
35 HB3 LYS 5 HB1 LYS 5 9.085 4.046 -7.480
36 HG2 LYS 5 HG2 LYS 5 7.226 3.486 -8.991
37 HG3 LYS 5 HG1 LYS 5 7.627 4.870 -10.008
38 HD2 LYS 5 HD2 LYS 5 9.832 3.912 -10.488
39 HD3 LYS 5 HD1 LYS 5 9.486 2.547 -9.426
40 HE2 LYS 5 HE2 LYS 5 9.080 1.910 -11.758
41 HE3 LYS 5 HE1 LYS 5 7.557 1.939 -10.868
42 HZ1 LYS 5 HZ1 LYS 5 7.710 3.099 -13.151
43 HZ2 LYS 5 HZ2 LYS 5 8.477 4.346 -12.289
44 HZ3 LYS 5 HZ3 LYS 5 6.895 3.877 -11.883
45 H LEU 6 HN LEU 6 7.644 4.023 -5.490
46 HA LEU 6 HA LEU 6 5.426 2.440 -6.127
47 HB2 LEU 6 HB2 LEU 6 7.090 1.756 -4.471
48 HB3 LEU 6 HB1 LEU 6 6.600 3.075 -3.408
49 HG LEU 6 HG LEU 6 4.322 2.108 -3.274
50 HD11 LEU 6 HD11 LEU 6 4.121 0.973 -5.373
51 HD12 LEU 6 HD12 LEU 6 4.094 -0.283 -4.136
52 HD13 LEU 6 HD13 LEU 6 5.564 0.008 -5.065
53 HD21 LEU 6 HD21 LEU 6 4.944 0.092 -1.954
54 HD22 LEU 6 HD22 LEU 6 5.981 1.469 -1.584
55 HD23 LEU 6 HD23 LEU 6 6.572 0.176 -2.627
56 H MET 7 HN MET 7 5.665 5.280 -3.996
57 HA MET 7 HA MET 7 3.006 5.333 -3.130
58 HB2 MET 7 HB2 MET 7 5.117 7.444 -3.442
59 HB3 MET 7 HB1 MET 7 3.481 7.885 -2.951
60 HG2 MET 7 HG2 MET 7 5.007 5.680 -1.563
61 HG3 MET 7 HG1 MET 7 5.161 7.366 -1.068
62 HE1 MET 7 HE1 MET 7 2.492 4.326 0.253
63 HE2 MET 7 HE2 MET 7 3.651 4.260 -1.071
64 HE3 MET 7 HE3 MET 7 1.942 4.500 -1.418
65 H LYS 8 HN LYS 8 4.513 6.908 -5.937
66 HA LYS 8 HA LYS 8 2.253 8.258 -6.887
67 HB2 LYS 8 HB2 LYS 8 4.515 8.654 -7.762
68 HB3 LYS 8 HB1 LYS 8 4.526 7.041 -8.475
69 HG2 LYS 8 HG2 LYS 8 2.692 7.604 -9.947
70 HG3 LYS 8 HG1 LYS 8 2.458 9.154 -9.137
71 HD2 LYS 8 HD2 LYS 8 3.688 9.604 -11.153
72 HD3 LYS 8 HD1 LYS 8 4.828 9.749 -9.815
73 HE2 LYS 8 HE2 LYS 8 5.859 8.448 -11.600
74 HE3 LYS 8 HE1 LYS 8 5.546 7.391 -10.224
75 HZ1 LYS 8 HZ1 LYS 8 3.668 6.485 -11.274
76 HZ2 LYS 8 HZ2 LYS 8 4.872 6.523 -12.471
77 HZ3 LYS 8 HZ3 LYS 8 3.638 7.690 -12.467
78 H ALA 9 HN ALA 9 3.448 4.993 -7.648
79 HA ALA 9 HA ALA 9 1.497 4.290 -9.530
80 HB1 ALA 9 HB1 ALA 9 3.610 3.013 -8.928
81 HB2 ALA 9 HB2 ALA 9 2.166 2.031 -9.174
82 HB3 ALA 9 HB3 ALA 9 2.726 2.383 -7.538
83 H PHE 10 HN PHE 10 1.527 3.840 -5.999
84 HA PHE 10 HA PHE 10 -0.920 2.500 -5.752
85 HB2 PHE 10 HB2 PHE 10 0.722 2.747 -3.921
86 HB3 PHE 10 HB1 PHE 10 0.336 4.464 -3.820
87 HD1 PHE 10 HD1 PHE 10 -1.048 1.041 -3.423
88 HD2 PHE 10 HD2 PHE 10 -1.640 5.236 -2.716
89 HE1 PHE 10 HE1 PHE 10 -2.965 0.520 -1.939
90 HE2 PHE 10 HE2 PHE 10 -3.558 4.715 -1.233
91 HZ PHE 10 HZ PHE 10 -4.219 2.357 -0.844
92 H GLU 11 HN GLU 11 -0.208 5.988 -5.651
93 HA GLU 11 HA GLU 11 -2.808 6.904 -5.156
94 HB2 GLU 11 HB2 GLU 11 -0.513 8.160 -6.673
95 HB3 GLU 11 HB1 GLU 11 -2.011 9.013 -6.301
96 HG2 GLU 11 HG2 GLU 11 -0.154 7.749 -4.264
97 HG3 GLU 11 HG1 GLU 11 -0.280 9.475 -4.601
98 H SER 12 HN SER 12 -1.147 6.319 -8.250
99 HA SER 12 HA SER 12 -3.212 7.148 -9.953
100 HB2 SER 12 HB2 SER 12 -2.129 5.791 -11.672
101 HB3 SER 12 HB1 SER 12 -0.916 6.648 -10.727
102 HG SER 12 HG SER 12 -0.630 4.290 -11.148
103 H LEU 13 HN LEU 13 -2.512 3.935 -8.590
104 HA LEU 13 HA LEU 13 -4.593 2.518 -9.819
105 HB2 LEU 13 HB2 LEU 13 -3.253 2.158 -7.131
106 HB3 LEU 13 HB1 LEU 13 -4.390 0.995 -7.815
107 HG LEU 13 HG LEU 13 -1.930 1.939 -9.300
108 HD11 LEU 13 HD11 LEU 13 -1.041 -0.367 -8.624
109 HD12 LEU 13 HD12 LEU 13 -2.309 -0.382 -7.398
110 HD13 LEU 13 HD13 LEU 13 -1.059 0.861 -7.358
111 HD21 LEU 13 HD21 LEU 13 -3.553 0.978 -10.771
112 HD22 LEU 13 HD22 LEU 13 -3.929 -0.311 -9.628
113 HD23 LEU 13 HD23 LEU 13 -2.376 -0.300 -10.464
114 H LYS 14 HN LYS 14 -4.533 4.239 -6.704
115 HA LYS 14 HA LYS 14 -7.140 3.640 -5.885
116 HB2 LYS 14 HB2 LYS 14 -5.264 5.909 -5.290
117 HB3 LYS 14 HB1 LYS 14 -6.914 5.932 -4.667
118 HG2 LYS 14 HG2 LYS 14 -5.118 3.530 -4.307
119 HG3 LYS 14 HG1 LYS 14 -5.122 4.868 -3.156
120 HD2 LYS 14 HD2 LYS 14 -7.590 4.586 -2.894
121 HD3 LYS 14 HD1 LYS 14 -7.513 3.179 -3.952
122 HE2 LYS 14 HE2 LYS 14 -7.447 2.340 -1.710
123 HE3 LYS 14 HE1 LYS 14 -5.807 2.203 -2.340
124 HZ1 LYS 14 HZ1 LYS 14 -5.374 4.416 -1.295
125 HZ2 LYS 14 HZ2 LYS 14 -5.658 3.153 -0.196
126 HZ3 LYS 14 HZ3 LYS 14 -6.878 4.287 -0.525
127 H SER 15 HN SER 15 -5.926 6.388 -7.787
128 HA SER 15 HA SER 15 -8.352 7.756 -8.085
129 HB2 SER 15 HB2 SER 15 -5.984 7.567 -9.961
130 HB3 SER 15 HB1 SER 15 -7.308 8.713 -10.146
131 HG SER 15 HG SER 15 -5.156 8.953 -8.650
132 H PHE 16 HN PHE 16 -6.861 5.243 -10.116
133 HA PHE 16 HA PHE 16 -8.819 5.135 -12.116
134 HB2 PHE 16 HB2 PHE 16 -6.864 3.132 -11.018
135 HB3 PHE 16 HB1 PHE 16 -8.034 2.654 -12.246
136 HD1 PHE 16 HD1 PHE 16 -6.928 6.128 -12.254
137 HD2 PHE 16 HD2 PHE 16 -6.101 2.197 -13.779
138 HE1 PHE 16 HE1 PHE 16 -5.487 7.113 -14.013
139 HE2 PHE 16 HE2 PHE 16 -4.661 3.184 -15.538
140 HZ PHE 16 HZ PHE 16 -4.353 5.641 -15.655
141 H GLN 17 HN GLN 17 -8.563 3.312 -9.073
142 HA GLN 17 HA GLN 17 -10.839 1.712 -9.379
143 HB2 GLN 17 HB2 GLN 17 -8.993 1.653 -7.559
144 HB3 GLN 17 HB1 GLN 17 -10.008 2.819 -6.709
145 HG2 GLN 17 HG2 GLN 17 -11.185 0.269 -7.795
146 HG3 GLN 17 HG1 GLN 17 -10.374 0.288 -6.230
147 HE21 GLN 17 HE21 GLN 17 -13.318 -0.054 -6.861
148 HE22 GLN 17 HE22 GLN 17 -14.097 1.167 -5.977
149 H1 ALA 1 HT1 ALA 1 -14.473 -8.791 -6.082
150 H2 ALA 1 HT2 ALA 1 -12.797 -8.614 -6.290
151 H3 ALA 1 HT3 ALA 1 -13.873 -7.629 -7.161
152 HA ALA 1 HA ALA 1 -14.641 -6.626 -5.081
153 HB1 ALA 1 HB1 ALA 1 -13.389 -7.092 -3.027
154 HB2 ALA 1 HB2 ALA 1 -12.367 -8.243 -3.889
155 HB3 ALA 1 HB3 ALA 1 -14.081 -8.588 -3.655
156 H THR 2 HN THR 2 -13.713 -4.634 -4.581
157 HA THR 2 HA THR 2 -11.691 -3.693 -6.336
158 HB THR 2 HB THR 2 -11.851 -1.601 -5.041
159 HG1 THR 2 HG1 THR 2 -13.349 -1.640 -3.262
160 HG21 THR 2 HG21 THR 2 -14.266 -1.216 -5.382
161 HG22 THR 2 HG22 THR 2 -14.521 -2.955 -5.520
162 HG23 THR 2 HG23 THR 2 -13.565 -2.105 -6.734
163 H LEU 3 HN LEU 3 -11.683 -4.648 -2.929
164 HA LEU 3 HA LEU 3 -9.112 -3.786 -2.232
165 HB2 LEU 3 HB2 LEU 3 -10.736 -6.154 -1.280
166 HB3 LEU 3 HB1 LEU 3 -9.225 -5.643 -0.528
167 HG LEU 3 HG LEU 3 -11.583 -3.784 -0.912
168 HD11 LEU 3 HD11 LEU 3 -10.796 -5.426 1.516
169 HD12 LEU 3 HD12 LEU 3 -12.256 -5.640 0.549
170 HD13 LEU 3 HD13 LEU 3 -12.035 -4.171 1.500
171 HD21 LEU 3 HD21 LEU 3 -9.030 -3.692 0.719
172 HD22 LEU 3 HD22 LEU 3 -10.361 -2.557 0.938
173 HD23 LEU 3 HD23 LEU 3 -9.494 -2.613 -0.596
174 H GLU 4 HN GLU 4 -10.187 -6.899 -3.586
175 HA GLU 4 HA GLU 4 -7.704 -8.190 -3.625
176 HB2 GLU 4 HB2 GLU 4 -9.837 -9.341 -4.055
177 HB3 GLU 4 HB1 GLU 4 -9.994 -8.477 -5.585
178 HG2 GLU 4 HG2 GLU 4 -7.908 -9.488 -6.393
179 HG3 GLU 4 HG1 GLU 4 -7.706 -10.326 -4.855
180 H LYS 5 HN LYS 5 -9.273 -6.191 -6.117
181 HA LYS 5 HA LYS 5 -7.310 -6.421 -8.098
182 HB2 LYS 5 HB2 LYS 5 -9.517 -5.417 -8.503
183 HB3 LYS 5 HB1 LYS 5 -9.085 -4.046 -7.480
184 HG2 LYS 5 HG2 LYS 5 -7.226 -3.486 -8.991
185 HG3 LYS 5 HG1 LYS 5 -7.627 -4.870 -10.008
186 HD2 LYS 5 HD2 LYS 5 -9.832 -3.912 -10.488
187 HD3 LYS 5 HD1 LYS 5 -9.486 -2.547 -9.426
188 HE2 LYS 5 HE2 LYS 5 -9.080 -1.910 -11.758
189 HE3 LYS 5 HE1 LYS 5 -7.557 -1.939 -10.868
190 HZ1 LYS 5 HZ1 LYS 5 -7.710 -3.099 -13.151
191 HZ2 LYS 5 HZ2 LYS 5 -8.477 -4.346 -12.289
192 HZ3 LYS 5 HZ3 LYS 5 -6.895 -3.877 -11.883
193 H LEU 6 HN LEU 6 -7.644 -4.023 -5.490
194 HA LEU 6 HA LEU 6 -5.426 -2.440 -6.127
195 HB2 LEU 6 HB2 LEU 6 -7.090 -1.756 -4.471
196 HB3 LEU 6 HB1 LEU 6 -6.600 -3.075 -3.408
197 HG LEU 6 HG LEU 6 -4.322 -2.108 -3.274
198 HD11 LEU 6 HD11 LEU 6 -4.121 -0.973 -5.373
199 HD12 LEU 6 HD12 LEU 6 -4.094 0.283 -4.136
200 HD13 LEU 6 HD13 LEU 6 -5.564 -0.008 -5.065
201 HD21 LEU 6 HD21 LEU 6 -4.944 -0.092 -1.954
202 HD22 LEU 6 HD22 LEU 6 -5.981 -1.469 -1.584
203 HD23 LEU 6 HD23 LEU 6 -6.572 -0.176 -2.627
204 H MET 7 HN MET 7 -5.665 -5.280 -3.996
205 HA MET 7 HA MET 7 -3.006 -5.333 -3.130
206 HB2 MET 7 HB2 MET 7 -5.117 -7.444 -3.442
207 HB3 MET 7 HB1 MET 7 -3.481 -7.885 -2.951
208 HG2 MET 7 HG2 MET 7 -5.007 -5.680 -1.563
209 HG3 MET 7 HG1 MET 7 -5.161 -7.366 -1.068
210 HE1 MET 7 HE1 MET 7 -2.492 -4.326 0.253
211 HE2 MET 7 HE2 MET 7 -3.651 -4.260 -1.071
212 HE3 MET 7 HE3 MET 7 -1.942 -4.500 -1.418
213 H LYS 8 HN LYS 8 -4.513 -6.908 -5.937
214 HA LYS 8 HA LYS 8 -2.253 -8.258 -6.887
215 HB2 LYS 8 HB2 LYS 8 -4.515 -8.654 -7.762
216 HB3 LYS 8 HB1 LYS 8 -4.526 -7.041 -8.475
217 HG2 LYS 8 HG2 LYS 8 -2.692 -7.604 -9.947
218 HG3 LYS 8 HG1 LYS 8 -2.458 -9.154 -9.137
219 HD2 LYS 8 HD2 LYS 8 -3.688 -9.604 -11.153
220 HD3 LYS 8 HD1 LYS 8 -4.828 -9.749 -9.815
221 HE2 LYS 8 HE2 LYS 8 -5.859 -8.448 -11.600
222 HE3 LYS 8 HE1 LYS 8 -5.546 -7.391 -10.224
223 HZ1 LYS 8 HZ1 LYS 8 -3.668 -6.485 -11.274
224 HZ2 LYS 8 HZ2 LYS 8 -4.872 -6.523 -12.471
225 HZ3 LYS 8 HZ3 LYS 8 -3.638 -7.690 -12.467
226 H ALA 9 HN ALA 9 -3.448 -4.993 -7.648
227 HA ALA 9 HA ALA 9 -1.497 -4.290 -9.530
228 HB1 ALA 9 HB1 ALA 9 -3.610 -3.013 -8.928
229 HB2 ALA 9 HB2 ALA 9 -2.166 -2.031 -9.174
230 HB3 ALA 9 HB3 ALA 9 -2.726 -2.383 -7.538
231 H PHE 10 HN PHE 10 -1.527 -3.840 -5.999
232 HA PHE 10 HA PHE 10 0.920 -2.500 -5.752
233 HB2 PHE 10 HB2 PHE 10 -0.722 -2.747 -3.921
234 HB3 PHE 10 HB1 PHE 10 -0.336 -4.464 -3.820
235 HD1 PHE 10 HD1 PHE 10 1.048 -1.041 -3.423
236 HD2 PHE 10 HD2 PHE 10 1.640 -5.236 -2.716
237 HE1 PHE 10 HE1 PHE 10 2.965 -0.520 -1.939
238 HE2 PHE 10 HE2 PHE 10 3.558 -4.715 -1.233
239 HZ PHE 10 HZ PHE 10 4.219 -2.357 -0.844
240 H GLU 11 HN GLU 11 0.208 -5.988 -5.651
241 HA GLU 11 HA GLU 11 2.808 -6.904 -5.156
242 HB2 GLU 11 HB2 GLU 11 0.513 -8.160 -6.673
243 HB3 GLU 11 HB1 GLU 11 2.011 -9.013 -6.301
244 HG2 GLU 11 HG2 GLU 11 0.154 -7.749 -4.264
245 HG3 GLU 11 HG1 GLU 11 0.280 -9.475 -4.601
246 H SER 12 HN SER 12 1.147 -6.319 -8.250
247 HA SER 12 HA SER 12 3.214 -7.148 -9.950
248 HB2 SER 12 HB2 SER 12 2.132 -5.793 -11.673
249 HB3 SER 12 HB1 SER 12 0.919 -6.655 -10.731
250 HG SER 12 HG SER 12 1.711 -3.940 -10.528
251 H LEU 13 HN LEU 13 2.512 -3.935 -8.590
252 HA LEU 13 HA LEU 13 4.593 -2.518 -9.819
253 HB2 LEU 13 HB2 LEU 13 3.253 -2.158 -7.131
254 HB3 LEU 13 HB1 LEU 13 4.390 -0.995 -7.815
255 HG LEU 13 HG LEU 13 1.930 -1.939 -9.300
256 HD11 LEU 13 HD11 LEU 13 1.040 0.367 -8.624
257 HD12 LEU 13 HD12 LEU 13 2.309 0.382 -7.398
258 HD13 LEU 13 HD13 LEU 13 1.059 -0.861 -7.358
259 HD21 LEU 13 HD21 LEU 13 3.553 -0.978 -10.771
260 HD22 LEU 13 HD22 LEU 13 3.929 0.311 -9.628
261 HD23 LEU 13 HD23 LEU 13 2.376 0.300 -10.464
262 H LYS 14 HN LYS 14 4.533 -4.239 -6.704
263 HA LYS 14 HA LYS 14 7.140 -3.640 -5.885
264 HB2 LYS 14 HB2 LYS 14 5.264 -5.909 -5.290
265 HB3 LYS 14 HB1 LYS 14 6.914 -5.932 -4.667
266 HG2 LYS 14 HG2 LYS 14 5.118 -3.530 -4.307
267 HG3 LYS 14 HG1 LYS 14 5.122 -4.868 -3.156
268 HD2 LYS 14 HD2 LYS 14 7.590 -4.586 -2.894
269 HD3 LYS 14 HD1 LYS 14 7.513 -3.179 -3.952
270 HE2 LYS 14 HE2 LYS 14 7.447 -2.340 -1.710
271 HE3 LYS 14 HE1 LYS 14 5.807 -2.203 -2.340
272 HZ1 LYS 14 HZ1 LYS 14 5.374 -4.416 -1.295
273 HZ2 LYS 14 HZ2 LYS 14 5.658 -3.153 -0.196
274 HZ3 LYS 14 HZ3 LYS 14 6.878 -4.287 -0.525
275 H SER 15 HN SER 15 5.926 -6.388 -7.787
276 HA SER 15 HA SER 15 8.355 -7.750 -8.082
277 HB2 SER 15 HB2 SER 15 7.335 -8.827 -10.023
278 HB3 SER 15 HB1 SER 15 6.161 -8.705 -8.717
279 HG SER 15 HG SER 15 5.463 -8.033 -10.891
280 H PHE 16 HN PHE 16 6.861 -5.243 -10.116
281 HA PHE 16 HA PHE 16 8.819 -5.135 -12.115
282 HB2 PHE 16 HB2 PHE 16 7.059 -2.937 -11.001
283 HB3 PHE 16 HB1 PHE 16 8.022 -2.789 -12.470
284 HD1 PHE 16 HD1 PHE 16 4.828 -2.952 -11.740
285 HD2 PHE 16 HD2 PHE 16 7.715 -5.481 -13.670
286 HE1 PHE 16 HE1 PHE 16 3.013 -4.030 -13.040
287 HE2 PHE 16 HE2 PHE 16 5.899 -6.559 -14.971
288 HZ PHE 16 HZ PHE 16 3.548 -5.833 -14.656
289 H GLN 17 HN GLN 17 8.563 -3.312 -9.073
290 HA GLN 17 HA GLN 17 10.839 -1.712 -9.379
291 HB2 GLN 17 HB2 GLN 17 8.993 -1.653 -7.559
292 HB3 GLN 17 HB1 GLN 17 10.008 -2.819 -6.709
293 HG2 GLN 17 HG2 GLN 17 11.185 -0.269 -7.795
294 HG3 GLN 17 HG1 GLN 17 10.374 -0.288 -6.230
295 HE21 GLN 17 HE21 GLN 17 13.318 0.054 -6.861
296 HE22 GLN 17 HE22 GLN 17 14.097 -1.167 -5.977
297 H1 ALA 1 HT1 ALA 1 8.791 14.473 6.082
298 H2 ALA 1 HT2 ALA 1 8.614 12.797 6.290
299 H3 ALA 1 HT3 ALA 1 7.629 13.873 7.161
300 HA ALA 1 HA ALA 1 6.626 14.641 5.081
301 HB1 ALA 1 HB1 ALA 1 7.092 13.389 3.027
302 HB2 ALA 1 HB2 ALA 1 8.243 12.367 3.889
303 HB3 ALA 1 HB3 ALA 1 8.588 14.081 3.655
304 H THR 2 HN THR 2 4.634 13.713 4.581
305 HA THR 2 HA THR 2 3.693 11.691 6.336
306 HB THR 2 HB THR 2 1.601 11.851 5.041
307 HG1 THR 2 HG1 THR 2 1.640 13.349 3.262
308 HG21 THR 2 HG21 THR 2 1.216 14.266 5.382
309 HG22 THR 2 HG22 THR 2 2.955 14.521 5.520
310 HG23 THR 2 HG23 THR 2 2.105 13.565 6.734
311 H LEU 3 HN LEU 3 4.648 11.683 2.929
312 HA LEU 3 HA LEU 3 3.786 9.112 2.232
313 HB2 LEU 3 HB2 LEU 3 6.154 10.736 1.280
314 HB3 LEU 3 HB1 LEU 3 5.643 9.225 0.528
315 HG LEU 3 HG LEU 3 3.784 11.583 0.912
316 HD11 LEU 3 HD11 LEU 3 5.426 10.796 -1.516
317 HD12 LEU 3 HD12 LEU 3 5.640 12.256 -0.549
318 HD13 LEU 3 HD13 LEU 3 4.171 12.035 -1.500
319 HD21 LEU 3 HD21 LEU 3 3.692 9.030 -0.719
320 HD22 LEU 3 HD22 LEU 3 2.557 10.361 -0.938
321 HD23 LEU 3 HD23 LEU 3 2.613 9.494 0.596
322 H GLU 4 HN GLU 4 6.899 10.187 3.586
323 HA GLU 4 HA GLU 4 8.190 7.704 3.625
324 HB2 GLU 4 HB2 GLU 4 9.341 9.837 4.055
325 HB3 GLU 4 HB1 GLU 4 8.477 9.994 5.585
326 HG2 GLU 4 HG2 GLU 4 9.488 7.908 6.393
327 HG3 GLU 4 HG1 GLU 4 10.326 7.706 4.855
328 H LYS 5 HN LYS 5 6.191 9.273 6.117
329 HA LYS 5 HA LYS 5 6.423 7.306 8.094
330 HB2 LYS 5 HB2 LYS 5 5.421 9.538 8.468
331 HB3 LYS 5 HB1 LYS 5 4.020 9.052 7.511
332 HG2 LYS 5 HG2 LYS 5 3.540 7.237 9.084
333 HG3 LYS 5 HG1 LYS 5 4.977 7.645 10.021
334 HD2 LYS 5 HD2 LYS 5 4.042 9.878 10.495
335 HD3 LYS 5 HD1 LYS 5 2.601 9.472 9.560
336 HE2 LYS 5 HE2 LYS 5 2.172 9.129 11.951
337 HE3 LYS 5 HE1 LYS 5 2.153 7.582 11.106
338 HZ1 LYS 5 HZ1 LYS 5 3.495 7.796 13.270
339 HZ2 LYS 5 HZ2 LYS 5 4.645 8.595 12.309
340 HZ3 LYS 5 HZ3 LYS 5 4.202 6.994 11.954
341 H LEU 6 HN LEU 6 4.023 7.644 5.490
342 HA LEU 6 HA LEU 6 2.440 5.426 6.127
343 HB2 LEU 6 HB2 LEU 6 1.756 7.090 4.471
344 HB3 LEU 6 HB1 LEU 6 3.075 6.600 3.408
345 HG LEU 6 HG LEU 6 2.108 4.322 3.274
346 HD11 LEU 6 HD11 LEU 6 0.973 4.121 5.373
347 HD12 LEU 6 HD12 LEU 6 -0.283 4.094 4.136
348 HD13 LEU 6 HD13 LEU 6 0.008 5.564 5.065
349 HD21 LEU 6 HD21 LEU 6 0.092 4.944 1.954
350 HD22 LEU 6 HD22 LEU 6 1.469 5.981 1.584
351 HD23 LEU 6 HD23 LEU 6 0.176 6.572 2.627
352 H MET 7 HN MET 7 5.280 5.665 3.996
353 HA MET 7 HA MET 7 5.333 3.006 3.130
354 HB2 MET 7 HB2 MET 7 7.444 5.117 3.442
355 HB3 MET 7 HB1 MET 7 7.885 3.481 2.951
356 HG2 MET 7 HG2 MET 7 5.680 5.007 1.563
357 HG3 MET 7 HG1 MET 7 7.366 5.161 1.068
358 HE1 MET 7 HE1 MET 7 4.326 2.492 -0.253
359 HE2 MET 7 HE2 MET 7 4.260 3.651 1.071
360 HE3 MET 7 HE3 MET 7 4.500 1.942 1.418
361 H LYS 8 HN LYS 8 6.908 4.513 5.937
362 HA LYS 8 HA LYS 8 8.258 2.253 6.887
363 HB2 LYS 8 HB2 LYS 8 8.654 4.515 7.762
364 HB3 LYS 8 HB1 LYS 8 7.041 4.526 8.475
365 HG2 LYS 8 HG2 LYS 8 7.604 2.692 9.947
366 HG3 LYS 8 HG1 LYS 8 9.154 2.458 9.137
367 HD2 LYS 8 HD2 LYS 8 9.604 3.688 11.153
368 HD3 LYS 8 HD1 LYS 8 9.749 4.828 9.815
369 HE2 LYS 8 HE2 LYS 8 8.448 5.859 11.600
370 HE3 LYS 8 HE1 LYS 8 7.391 5.546 10.224
371 HZ1 LYS 8 HZ1 LYS 8 6.485 3.668 11.274
372 HZ2 LYS 8 HZ2 LYS 8 6.523 4.872 12.471
373 HZ3 LYS 8 HZ3 LYS 8 7.690 3.638 12.467
374 H ALA 9 HN ALA 9 4.993 3.448 7.648
375 HA ALA 9 HA ALA 9 4.290 1.497 9.530
376 HB1 ALA 9 HB1 ALA 9 3.013 3.610 8.928
377 HB2 ALA 9 HB2 ALA 9 2.031 2.166 9.174
378 HB3 ALA 9 HB3 ALA 9 2.383 2.726 7.538
379 H PHE 10 HN PHE 10 3.840 1.527 5.999
380 HA PHE 10 HA PHE 10 2.500 -0.920 5.752
381 HB2 PHE 10 HB2 PHE 10 2.747 0.722 3.921
382 HB3 PHE 10 HB1 PHE 10 4.464 0.336 3.820
383 HD1 PHE 10 HD1 PHE 10 1.041 -1.048 3.423
384 HD2 PHE 10 HD2 PHE 10 5.236 -1.640 2.716
385 HE1 PHE 10 HE1 PHE 10 0.520 -2.965 1.939
386 HE2 PHE 10 HE2 PHE 10 4.715 -3.558 1.233
387 HZ PHE 10 HZ PHE 10 2.357 -4.219 0.844
388 H GLU 11 HN GLU 11 5.988 -0.208 5.651
389 HA GLU 11 HA GLU 11 6.904 -2.808 5.156
390 HB2 GLU 11 HB2 GLU 11 8.160 -0.513 6.673
391 HB3 GLU 11 HB1 GLU 11 9.013 -2.011 6.301
392 HG2 GLU 11 HG2 GLU 11 7.749 -0.154 4.264
393 HG3 GLU 11 HG1 GLU 11 9.475 -0.280 4.601
394 H SER 12 HN SER 12 6.319 -1.147 8.250
395 HA SER 12 HA SER 12 7.148 -3.205 9.962
396 HB2 SER 12 HB2 SER 12 5.002 -1.104 10.339
397 HB3 SER 12 HB1 SER 12 5.613 -2.138 11.627
398 HG SER 12 HG SER 12 6.612 0.124 10.863
399 H LEU 13 HN LEU 13 3.935 -2.512 8.590
400 HA LEU 13 HA LEU 13 2.518 -4.593 9.819
401 HB2 LEU 13 HB2 LEU 13 2.158 -3.253 7.131
402 HB3 LEU 13 HB1 LEU 13 0.995 -4.390 7.815
403 HG LEU 13 HG LEU 13 1.939 -1.930 9.300
404 HD11 LEU 13 HD11 LEU 13 -0.367 -1.041 8.624
405 HD12 LEU 13 HD12 LEU 13 -0.382 -2.309 7.398
406 HD13 LEU 13 HD13 LEU 13 0.861 -1.059 7.358
407 HD21 LEU 13 HD21 LEU 13 0.978 -3.553 10.771
408 HD22 LEU 13 HD22 LEU 13 -0.311 -3.929 9.628
409 HD23 LEU 13 HD23 LEU 13 -0.300 -2.376 10.464
410 H LYS 14 HN LYS 14 4.239 -4.533 6.704
411 HA LYS 14 HA LYS 14 3.640 -7.140 5.885
412 HB2 LYS 14 HB2 LYS 14 5.909 -5.264 5.290
413 HB3 LYS 14 HB1 LYS 14 5.932 -6.914 4.667
414 HG2 LYS 14 HG2 LYS 14 3.530 -5.118 4.307
415 HG3 LYS 14 HG1 LYS 14 4.868 -5.122 3.156
416 HD2 LYS 14 HD2 LYS 14 4.586 -7.590 2.894
417 HD3 LYS 14 HD1 LYS 14 3.179 -7.513 3.952
418 HE2 LYS 14 HE2 LYS 14 2.340 -7.447 1.710
419 HE3 LYS 14 HE1 LYS 14 2.203 -5.807 2.340
420 HZ1 LYS 14 HZ1 LYS 14 4.416 -5.374 1.295
421 HZ2 LYS 14 HZ2 LYS 14 3.153 -5.658 0.196
422 HZ3 LYS 14 HZ3 LYS 14 4.287 -6.878 0.525
423 H SER 15 HN SER 15 6.388 -5.926 7.787
424 HA SER 15 HA SER 15 7.750 -8.355 8.082
425 HB2 SER 15 HB2 SER 15 8.827 -7.335 10.024
426 HB3 SER 15 HB1 SER 15 8.705 -6.162 8.717
427 HG SER 15 HG SER 15 8.038 -5.426 10.858
428 H PHE 16 HN PHE 16 5.243 -6.861 10.116
429 HA PHE 16 HA PHE 16 5.134 -8.815 12.118
430 HB2 PHE 16 HB2 PHE 16 4.002 -6.656 12.313
431 HB3 PHE 16 HB1 PHE 16 2.916 -7.086 10.993
432 HD1 PHE 16 HD1 PHE 16 3.982 -8.078 14.427
433 HD2 PHE 16 HD2 PHE 16 0.964 -8.368 11.385
434 HE1 PHE 16 HE1 PHE 16 2.460 -9.184 16.043
435 HE2 PHE 16 HE2 PHE 16 -0.558 -9.473 13.002
436 HZ PHE 16 HZ PHE 16 0.189 -9.881 15.330
437 H GLN 17 HN GLN 17 3.312 -8.563 9.073
438 HA GLN 17 HA GLN 17 1.712 -10.839 9.379
439 HB2 GLN 17 HB2 GLN 17 1.653 -8.993 7.559
440 HB3 GLN 17 HB1 GLN 17 2.819 -10.008 6.709
441 HG2 GLN 17 HG2 GLN 17 0.269 -11.185 7.795
442 HG3 GLN 17 HG1 GLN 17 0.288 -10.374 6.230
443 HE21 GLN 17 HE21 GLN 17 -0.054 -13.318 6.861
444 HE22 GLN 17 HE22 GLN 17 1.167 -14.097 5.977
445 H1 ALA 1 HT1 ALA 1 -8.791 -14.473 6.082
446 H2 ALA 1 HT2 ALA 1 -8.614 -12.797 6.290
447 H3 ALA 1 HT3 ALA 1 -7.629 -13.873 7.161
448 HA ALA 1 HA ALA 1 -6.626 -14.641 5.081
449 HB1 ALA 1 HB1 ALA 1 -7.092 -13.389 3.027
450 HB2 ALA 1 HB2 ALA 1 -8.243 -12.367 3.889
451 HB3 ALA 1 HB3 ALA 1 -8.588 -14.081 3.655
452 H THR 2 HN THR 2 -4.634 -13.713 4.581
453 HA THR 2 HA THR 2 -3.693 -11.691 6.336
454 HB THR 2 HB THR 2 -1.601 -11.851 5.041
455 HG1 THR 2 HG1 THR 2 -1.640 -13.349 3.262
456 HG21 THR 2 HG21 THR 2 -1.216 -14.266 5.382
457 HG22 THR 2 HG22 THR 2 -2.955 -14.521 5.520
458 HG23 THR 2 HG23 THR 2 -2.105 -13.565 6.734
459 H LEU 3 HN LEU 3 -4.648 -11.683 2.929
460 HA LEU 3 HA LEU 3 -3.786 -9.112 2.232
461 HB2 LEU 3 HB2 LEU 3 -6.154 -10.736 1.280
462 HB3 LEU 3 HB1 LEU 3 -5.643 -9.225 0.528
463 HG LEU 3 HG LEU 3 -3.784 -11.583 0.912
464 HD11 LEU 3 HD11 LEU 3 -5.426 -10.796 -1.516
465 HD12 LEU 3 HD12 LEU 3 -5.640 -12.256 -0.549
466 HD13 LEU 3 HD13 LEU 3 -4.171 -12.035 -1.500
467 HD21 LEU 3 HD21 LEU 3 -3.692 -9.030 -0.719
468 HD22 LEU 3 HD22 LEU 3 -2.557 -10.361 -0.938
469 HD23 LEU 3 HD23 LEU 3 -2.613 -9.494 0.596
470 H GLU 4 HN GLU 4 -6.899 -10.187 3.586
471 HA GLU 4 HA GLU 4 -8.190 -7.704 3.625
472 HB2 GLU 4 HB2 GLU 4 -9.341 -9.837 4.055
473 HB3 GLU 4 HB1 GLU 4 -8.477 -9.994 5.585
474 HG2 GLU 4 HG2 GLU 4 -9.488 -7.908 6.393
475 HG3 GLU 4 HG1 GLU 4 -10.326 -7.706 4.855
476 H LYS 5 HN LYS 5 -6.191 -9.273 6.117
477 HA LYS 5 HA LYS 5 -6.421 -7.311 8.099
478 HB2 LYS 5 HB2 LYS 5 -5.420 -9.520 8.498
479 HB3 LYS 5 HB1 LYS 5 -4.049 -9.087 7.476
480 HG2 LYS 5 HG2 LYS 5 -3.478 -7.240 8.992
481 HG3 LYS 5 HG1 LYS 5 -4.869 -7.630 10.006
482 HD2 LYS 5 HD2 LYS 5 -3.933 -9.843 10.486
483 HD3 LYS 5 HD1 LYS 5 -2.564 -9.512 9.424
484 HE2 LYS 5 HE2 LYS 5 -1.930 -9.116 11.759
485 HE3 LYS 5 HE1 LYS 5 -1.930 -7.595 10.867
486 HZ1 LYS 5 HZ1 LYS 5 -3.098 -7.718 13.145
487 HZ2 LYS 5 HZ2 LYS 5 -4.354 -8.477 12.288
488 HZ3 LYS 5 HZ3 LYS 5 -3.867 -6.903 11.872
489 H LEU 6 HN LEU 6 -4.023 -7.644 5.490
490 HA LEU 6 HA LEU 6 -2.440 -5.426 6.127
491 HB2 LEU 6 HB2 LEU 6 -1.756 -7.090 4.471
492 HB3 LEU 6 HB1 LEU 6 -3.075 -6.600 3.408
493 HG LEU 6 HG LEU 6 -2.108 -4.322 3.274
494 HD11 LEU 6 HD11 LEU 6 -0.973 -4.121 5.373
495 HD12 LEU 6 HD12 LEU 6 0.283 -4.094 4.136
496 HD13 LEU 6 HD13 LEU 6 -0.008 -5.564 5.065
497 HD21 LEU 6 HD21 LEU 6 -0.092 -4.944 1.954
498 HD22 LEU 6 HD22 LEU 6 -1.469 -5.981 1.584
499 HD23 LEU 6 HD23 LEU 6 -0.176 -6.572 2.627
500 H MET 7 HN MET 7 -5.280 -5.665 3.996
501 HA MET 7 HA MET 7 -5.333 -3.006 3.130
502 HB2 MET 7 HB2 MET 7 -7.444 -5.117 3.442
503 HB3 MET 7 HB1 MET 7 -7.885 -3.481 2.951
504 HG2 MET 7 HG2 MET 7 -5.680 -5.007 1.563
505 HG3 MET 7 HG1 MET 7 -7.366 -5.161 1.068
506 HE1 MET 7 HE1 MET 7 -4.326 -2.492 -0.253
507 HE2 MET 7 HE2 MET 7 -4.260 -3.651 1.071
508 HE3 MET 7 HE3 MET 7 -4.500 -1.942 1.418
509 H LYS 8 HN LYS 8 -6.908 -4.513 5.937
510 HA LYS 8 HA LYS 8 -8.258 -2.253 6.887
511 HB2 LYS 8 HB2 LYS 8 -8.654 -4.515 7.762
512 HB3 LYS 8 HB1 LYS 8 -7.041 -4.526 8.475
513 HG2 LYS 8 HG2 LYS 8 -7.604 -2.692 9.947
514 HG3 LYS 8 HG1 LYS 8 -9.154 -2.458 9.137
515 HD2 LYS 8 HD2 LYS 8 -9.604 -3.688 11.153
516 HD3 LYS 8 HD1 LYS 8 -9.749 -4.828 9.815
517 HE2 LYS 8 HE2 LYS 8 -8.448 -5.859 11.600
518 HE3 LYS 8 HE1 LYS 8 -7.391 -5.546 10.224
519 HZ1 LYS 8 HZ1 LYS 8 -6.485 -3.668 11.274
520 HZ2 LYS 8 HZ2 LYS 8 -6.523 -4.872 12.471
521 HZ3 LYS 8 HZ3 LYS 8 -7.690 -3.638 12.467
522 H ALA 9 HN ALA 9 -4.993 -3.448 7.648
523 HA ALA 9 HA ALA 9 -4.290 -1.497 9.530
524 HB1 ALA 9 HB1 ALA 9 -3.013 -3.610 8.928
525 HB2 ALA 9 HB2 ALA 9 -2.031 -2.166 9.174
526 HB3 ALA 9 HB3 ALA 9 -2.383 -2.726 7.538
527 H PHE 10 HN PHE 10 -3.840 -1.527 5.999
528 HA PHE 10 HA PHE 10 -2.500 0.920 5.752
529 HB2 PHE 10 HB2 PHE 10 -2.747 -0.722 3.921
530 HB3 PHE 10 HB1 PHE 10 -4.464 -0.336 3.820
531 HD1 PHE 10 HD1 PHE 10 -1.041 1.048 3.423
532 HD2 PHE 10 HD2 PHE 10 -5.236 1.640 2.716
533 HE1 PHE 10 HE1 PHE 10 -0.520 2.965 1.939
534 HE2 PHE 10 HE2 PHE 10 -4.715 3.558 1.233
535 HZ PHE 10 HZ PHE 10 -2.357 4.219 0.844
536 H GLU 11 HN GLU 11 -5.988 0.208 5.651
537 HA GLU 11 HA GLU 11 -6.904 2.808 5.156
538 HB2 GLU 11 HB2 GLU 11 -8.160 0.513 6.673
539 HB3 GLU 11 HB1 GLU 11 -9.013 2.011 6.301
540 HG2 GLU 11 HG2 GLU 11 -7.749 0.154 4.264
541 HG3 GLU 11 HG1 GLU 11 -9.475 0.280 4.601
542 H SER 12 HN SER 12 -6.319 1.147 8.250
543 HA SER 12 HA SER 12 -7.148 3.205 9.962
544 HB2 SER 12 HB2 SER 12 -6.650 0.936 10.760
545 HB3 SER 12 HB1 SER 12 -4.946 1.164 10.376
546 HG SER 12 HG SER 12 -4.729 2.454 12.060
547 H LEU 13 HN LEU 13 -3.935 2.512 8.590
548 HA LEU 13 HA LEU 13 -2.518 4.593 9.819
549 HB2 LEU 13 HB2 LEU 13 -2.158 3.253 7.131
550 HB3 LEU 13 HB1 LEU 13 -0.995 4.390 7.815
551 HG LEU 13 HG LEU 13 -1.939 1.930 9.300
552 HD11 LEU 13 HD11 LEU 13 0.367 1.041 8.624
553 HD12 LEU 13 HD12 LEU 13 0.382 2.309 7.398
554 HD13 LEU 13 HD13 LEU 13 -0.861 1.059 7.358
555 HD21 LEU 13 HD21 LEU 13 -0.978 3.553 10.771
556 HD22 LEU 13 HD22 LEU 13 0.311 3.929 9.628
557 HD23 LEU 13 HD23 LEU 13 0.300 2.376 10.464
558 H LYS 14 HN LYS 14 -4.239 4.533 6.704
559 HA LYS 14 HA LYS 14 -3.640 7.140 5.885
560 HB2 LYS 14 HB2 LYS 14 -5.909 5.264 5.290
561 HB3 LYS 14 HB1 LYS 14 -5.932 6.914 4.667
562 HG2 LYS 14 HG2 LYS 14 -3.530 5.118 4.307
563 HG3 LYS 14 HG1 LYS 14 -4.868 5.122 3.156
564 HD2 LYS 14 HD2 LYS 14 -4.586 7.590 2.894
565 HD3 LYS 14 HD1 LYS 14 -3.179 7.513 3.952
566 HE2 LYS 14 HE2 LYS 14 -2.340 7.447 1.710
567 HE3 LYS 14 HE1 LYS 14 -2.203 5.807 2.340
568 HZ1 LYS 14 HZ1 LYS 14 -4.416 5.374 1.295
569 HZ2 LYS 14 HZ2 LYS 14 -3.153 5.658 0.196
570 HZ3 LYS 14 HZ3 LYS 14 -4.287 6.878 0.525
571 H SER 15 HN SER 15 -6.388 5.926 7.787
572 HA SER 15 HA SER 15 -7.759 8.350 8.086
573 HB2 SER 15 HB2 SER 15 -7.558 5.980 9.959
574 HB3 SER 15 HB1 SER 15 -8.704 7.303 10.156
575 HG SER 15 HG SER 15 -8.620 5.247 8.284
576 H PHE 16 HN PHE 16 -5.243 6.861 10.116
577 HA PHE 16 HA PHE 16 -5.138 8.819 12.114
578 HB2 PHE 16 HB2 PHE 16 -3.994 6.688 12.361
579 HB3 PHE 16 HB1 PHE 16 -2.925 7.072 11.012
580 HD1 PHE 16 HD1 PHE 16 -3.927 8.139 14.437
581 HD2 PHE 16 HD2 PHE 16 -0.987 8.419 11.318
582 HE1 PHE 16 HE1 PHE 16 -2.394 9.321 15.988
583 HE2 PHE 16 HE2 PHE 16 0.545 9.600 12.870
584 HZ PHE 16 HZ PHE 16 -0.158 10.051 15.203
585 H GLN 17 HN GLN 17 -3.312 8.563 9.073
586 HA GLN 17 HA GLN 17 -1.712 10.839 9.379
587 HB2 GLN 17 HB2 GLN 17 -1.653 8.993 7.559
588 HB3 GLN 17 HB1 GLN 17 -2.819 10.008 6.709
589 HG2 GLN 17 HG2 GLN 17 -0.269 11.185 7.795
590 HG3 GLN 17 HG1 GLN 17 -0.288 10.374 6.230
591 HE21 GLN 17 HE21 GLN 17 0.054 13.318 6.861
592 HE22 GLN 17 HE22 GLN 17 -1.167 14.097 5.977
Start of MODEL 2
1 H1 ALA 1 HT1 ALA 1 12.174 -0.915 -1.860
2 H2 ALA 1 HT2 ALA 1 11.690 0.562 -1.174
3 H3 ALA 1 HT3 ALA 1 13.117 0.475 -2.093
4 HA ALA 1 HA ALA 1 11.925 0.102 -4.095
5 HB1 ALA 1 HB1 ALA 1 10.184 -1.344 -3.036
6 HB2 ALA 1 HB2 ALA 1 9.495 -0.125 -4.107
7 HB3 ALA 1 HB3 ALA 1 9.437 0.103 -2.359
8 H THR 2 HN THR 2 11.257 1.878 -5.311
9 HA THR 2 HA THR 2 11.758 4.430 -4.291
10 HB THR 2 HB THR 2 10.381 5.132 -6.405
11 HG1 THR 2 HG1 THR 2 9.494 2.872 -6.392
12 HG21 THR 2 HG21 THR 2 12.831 3.376 -6.703
13 HG22 THR 2 HG22 THR 2 12.874 5.057 -6.172
14 HG23 THR 2 HG23 THR 2 12.313 4.659 -7.796
15 H LEU 3 HN LEU 3 10.641 5.365 -2.695
16 HA LEU 3 HA LEU 3 8.007 4.786 -1.940
17 HB2 LEU 3 HB2 LEU 3 9.658 7.288 -1.515
18 HB3 LEU 3 HB1 LEU 3 8.130 6.956 -0.699
19 HG LEU 3 HG LEU 3 10.533 5.114 -0.592
20 HD11 LEU 3 HD11 LEU 3 10.699 5.987 1.781
21 HD12 LEU 3 HD12 LEU 3 9.569 7.259 1.318
22 HD13 LEU 3 HD13 LEU 3 11.145 7.152 0.535
23 HD21 LEU 3 HD21 LEU 3 9.219 4.255 1.419
24 HD22 LEU 3 HD22 LEU 3 8.509 3.906 -0.155
25 HD23 LEU 3 HD23 LEU 3 7.862 5.216 0.832
26 H GLU 4 HN GLU 4 9.275 7.435 -3.953
27 HA GLU 4 HA GLU 4 6.857 8.762 -4.427
28 HB2 GLU 4 HB2 GLU 4 9.337 8.486 -6.135
29 HB3 GLU 4 HB1 GLU 4 7.997 9.562 -6.533
30 HG2 GLU 4 HG2 GLU 4 9.570 9.638 -3.942
31 HG3 GLU 4 HG1 GLU 4 9.807 10.738 -5.299
32 H LYS 5 HN LYS 5 8.430 6.160 -6.278
33 HA LYS 5 HA LYS 5 6.559 5.965 -8.349
34 HB2 LYS 5 HB2 LYS 5 8.860 4.779 -8.014
35 HB3 LYS 5 HB1 LYS 5 7.900 3.527 -7.224
36 HG2 LYS 5 HG2 LYS 5 6.888 4.529 -9.838
37 HG3 LYS 5 HG1 LYS 5 8.348 3.540 -9.881
38 HD2 LYS 5 HD2 LYS 5 7.255 1.704 -8.818
39 HD3 LYS 5 HD1 LYS 5 5.873 2.699 -8.362
40 HE2 LYS 5 HE2 LYS 5 5.252 1.341 -10.281
41 HE3 LYS 5 HE1 LYS 5 5.367 3.025 -10.791
42 HZ1 LYS 5 HZ1 LYS 5 7.830 2.310 -11.269
43 HZ2 LYS 5 HZ2 LYS 5 6.598 2.032 -12.405
44 HZ3 LYS 5 HZ3 LYS 5 7.131 0.771 -11.399
45 H LEU 6 HN LEU 6 6.683 4.268 -5.223
46 HA LEU 6 HA LEU 6 4.419 2.655 -5.565
47 HB2 LEU 6 HB2 LEU 6 5.983 2.339 -3.712
48 HB3 LEU 6 HB1 LEU 6 5.507 3.892 -3.025
49 HG LEU 6 HG LEU 6 3.264 2.059 -3.602
50 HD11 LEU 6 HD11 LEU 6 4.925 0.431 -2.816
51 HD12 LEU 6 HD12 LEU 6 3.697 0.691 -1.576
52 HD13 LEU 6 HD13 LEU 6 5.282 1.449 -1.420
53 HD21 LEU 6 HD21 LEU 6 4.156 3.834 -1.316
54 HD22 LEU 6 HD22 LEU 6 2.711 2.827 -1.227
55 HD23 LEU 6 HD23 LEU 6 2.821 4.106 -2.436
56 H MET 7 HN MET 7 4.704 5.919 -4.178
57 HA MET 7 HA MET 7 2.020 6.284 -3.473
58 HB2 MET 7 HB2 MET 7 3.897 7.794 -2.834
59 HB3 MET 7 HB1 MET 7 3.929 8.400 -4.490
60 HG2 MET 7 HG2 MET 7 2.581 9.938 -3.239
61 HG3 MET 7 HG1 MET 7 1.464 8.970 -4.202
62 HE1 MET 7 HE1 MET 7 -0.810 9.036 -2.733
63 HE2 MET 7 HE2 MET 7 -0.858 7.454 -1.959
64 HE3 MET 7 HE3 MET 7 -0.161 7.618 -3.569
65 H LYS 8 HN LYS 8 3.703 7.060 -6.510
66 HA LYS 8 HA LYS 8 1.544 8.212 -7.869
67 HB2 LYS 8 HB2 LYS 8 3.941 6.666 -8.865
68 HB3 LYS 8 HB1 LYS 8 2.783 7.441 -9.947
69 HG2 LYS 8 HG2 LYS 8 3.245 9.616 -8.980
70 HG3 LYS 8 HG1 LYS 8 4.267 8.892 -7.738
71 HD2 LYS 8 HD2 LYS 8 5.711 9.787 -9.465
72 HD3 LYS 8 HD1 LYS 8 5.761 8.027 -9.569
73 HE2 LYS 8 HE2 LYS 8 4.135 8.058 -11.398
74 HE3 LYS 8 HE1 LYS 8 3.989 9.810 -11.266
75 HZ1 LYS 8 HZ1 LYS 8 6.569 9.680 -11.569
76 HZ2 LYS 8 HZ2 LYS 8 5.532 9.640 -12.915
77 HZ3 LYS 8 HZ3 LYS 8 6.203 8.200 -12.312
78 H ALA 9 HN ALA 9 2.621 4.821 -7.755
79 HA ALA 9 HA ALA 9 0.718 3.746 -9.504
80 HB1 ALA 9 HB1 ALA 9 2.174 2.573 -7.135
81 HB2 ALA 9 HB2 ALA 9 2.527 2.354 -8.849
82 HB3 ALA 9 HB3 ALA 9 1.088 1.618 -8.145
83 H PHE 10 HN PHE 10 0.587 4.174 -5.973
84 HA PHE 10 HA PHE 10 -1.925 3.020 -5.534
85 HB2 PHE 10 HB2 PHE 10 -0.282 3.696 -3.766
86 HB3 PHE 10 HB1 PHE 10 -0.753 5.374 -4.040
87 HD1 PHE 10 HD1 PHE 10 -2.492 2.068 -3.632
88 HD2 PHE 10 HD2 PHE 10 -2.307 6.216 -2.534
89 HE1 PHE 10 HE1 PHE 10 -4.444 1.758 -2.136
90 HE2 PHE 10 HE2 PHE 10 -4.261 5.907 -1.040
91 HZ PHE 10 HZ PHE 10 -5.329 3.678 -0.840
92 H GLU 11 HN GLU 11 -1.062 6.399 -6.243
93 HA GLU 11 HA GLU 11 -3.635 7.497 -6.112
94 HB2 GLU 11 HB2 GLU 11 -1.221 8.264 -7.761
95 HB3 GLU 11 HB1 GLU 11 -2.697 9.229 -7.705
96 HG2 GLU 11 HG2 GLU 11 -2.480 9.534 -5.312
97 HG3 GLU 11 HG1 GLU 11 -1.117 8.417 -5.251
98 H SER 12 HN SER 12 -1.882 6.115 -8.887
99 HA SER 12 HA SER 12 -3.838 6.572 -10.838
100 HB2 SER 12 HB2 SER 12 -2.752 4.801 -12.123
101 HB3 SER 12 HB1 SER 12 -1.540 5.822 -11.357
102 HG SER 12 HG SER 12 -1.108 4.252 -9.925
103 H LEU 13 HN LEU 13 -3.338 3.769 -8.704
104 HA LEU 13 HA LEU 13 -5.433 2.170 -9.655
105 HB2 LEU 13 HB2 LEU 13 -3.742 1.316 -8.115
106 HB3 LEU 13 HB1 LEU 13 -4.319 2.399 -6.848
107 HG LEU 13 HG LEU 13 -6.403 0.698 -8.074
108 HD11 LEU 13 HD11 LEU 13 -4.567 -0.915 -8.033
109 HD12 LEU 13 HD12 LEU 13 -5.702 -1.287 -6.736
110 HD13 LEU 13 HD13 LEU 13 -4.182 -0.471 -6.370
111 HD21 LEU 13 HD21 LEU 13 -5.559 1.534 -5.288
112 HD22 LEU 13 HD22 LEU 13 -6.874 0.394 -5.574
113 HD23 LEU 13 HD23 LEU 13 -6.990 2.044 -6.184
114 H LYS 14 HN LYS 14 -5.415 4.595 -7.050
115 HA LYS 14 HA LYS 14 -8.076 4.310 -6.228
116 HB2 LYS 14 HB2 LYS 14 -6.218 6.688 -6.215
117 HB3 LYS 14 HB1 LYS 14 -7.840 6.750 -5.527
118 HG2 LYS 14 HG2 LYS 14 -7.219 4.730 -4.132
119 HG3 LYS 14 HG1 LYS 14 -5.559 4.946 -4.690
120 HD2 LYS 14 HD2 LYS 14 -7.160 7.133 -3.339
121 HD3 LYS 14 HD1 LYS 14 -6.065 6.056 -2.474
122 HE2 LYS 14 HE2 LYS 14 -4.212 6.787 -3.972
123 HE3 LYS 14 HE1 LYS 14 -5.319 7.921 -4.746
124 HZ1 LYS 14 HZ1 LYS 14 -5.586 9.103 -2.731
125 HZ2 LYS 14 HZ2 LYS 14 -3.914 8.878 -2.939
126 HZ3 LYS 14 HZ3 LYS 14 -4.773 7.916 -1.833
127 H SER 15 HN SER 15 -6.666 6.458 -8.689
128 HA SER 15 HA SER 15 -9.014 7.796 -9.433
129 HB2 SER 15 HB2 SER 15 -6.584 7.062 -11.082
130 HB3 SER 15 HB1 SER 15 -7.846 8.168 -11.616
131 HG SER 15 HG SER 15 -7.382 9.333 -9.601
132 H PHE 16 HN PHE 16 -7.561 4.811 -10.714
133 HA PHE 16 HA PHE 16 -9.437 4.282 -12.722
134 HB2 PHE 16 HB2 PHE 16 -7.363 3.042 -12.593
135 HB3 PHE 16 HB1 PHE 16 -7.808 2.385 -11.018
136 HD1 PHE 16 HD1 PHE 16 -8.841 2.484 -14.604
137 HD2 PHE 16 HD2 PHE 16 -9.119 0.425 -10.845
138 HE1 PHE 16 HE1 PHE 16 -10.016 0.606 -15.719
139 HE2 PHE 16 HE2 PHE 16 -10.293 -1.453 -11.960
140 HZ PHE 16 HZ PHE 16 -10.742 -1.363 -14.397
141 H GLN 17 HN GLN 17 -9.386 3.251 -9.318
142 HA GLN 17 HA GLN 17 -11.719 1.704 -9.336
143 HB2 GLN 17 HB2 GLN 17 -10.290 3.261 -7.197
144 HB3 GLN 17 HB1 GLN 17 -11.813 2.444 -6.847
145 HG2 GLN 17 HG2 GLN 17 -9.392 1.089 -8.066
146 HG3 GLN 17 HG1 GLN 17 -9.804 1.032 -6.353
147 HE21 GLN 17 HE21 GLN 17 -10.068 -0.787 -9.102
148 HE22 GLN 17 HE22 GLN 17 -11.492 -1.641 -8.744
149 H1 ALA 1 HT1 ALA 1 -12.174 0.915 -1.860
150 H2 ALA 1 HT2 ALA 1 -11.690 -0.562 -1.174
151 H3 ALA 1 HT3 ALA 1 -13.117 -0.475 -2.093
152 HA ALA 1 HA ALA 1 -11.925 -0.102 -4.095
153 HB1 ALA 1 HB1 ALA 1 -10.184 1.344 -3.036
154 HB2 ALA 1 HB2 ALA 1 -9.495 0.125 -4.107
155 HB3 ALA 1 HB3 ALA 1 -9.437 -0.103 -2.359
156 H THR 2 HN THR 2 -11.257 -1.878 -5.311
157 HA THR 2 HA THR 2 -11.758 -4.430 -4.291
158 HB THR 2 HB THR 2 -10.382 -5.132 -6.404
159 HG1 THR 2 HG1 THR 2 -9.498 -2.869 -6.391
160 HG21 THR 2 HG21 THR 2 -12.846 -3.387 -6.662
161 HG22 THR 2 HG22 THR 2 -12.862 -5.088 -6.198
162 HG23 THR 2 HG23 THR 2 -12.313 -4.618 -7.807
163 H LEU 3 HN LEU 3 -10.641 -5.365 -2.695
164 HA LEU 3 HA LEU 3 -8.007 -4.786 -1.940
165 HB2 LEU 3 HB2 LEU 3 -9.658 -7.288 -1.515
166 HB3 LEU 3 HB1 LEU 3 -8.130 -6.956 -0.699
167 HG LEU 3 HG LEU 3 -10.533 -5.114 -0.592
168 HD11 LEU 3 HD11 LEU 3 -10.699 -5.987 1.781
169 HD12 LEU 3 HD12 LEU 3 -9.569 -7.259 1.318
170 HD13 LEU 3 HD13 LEU 3 -11.145 -7.152 0.535
171 HD21 LEU 3 HD21 LEU 3 -9.219 -4.255 1.419
172 HD22 LEU 3 HD22 LEU 3 -8.509 -3.906 -0.155
173 HD23 LEU 3 HD23 LEU 3 -7.862 -5.216 0.832
174 H GLU 4 HN GLU 4 -9.275 -7.435 -3.953
175 HA GLU 4 HA GLU 4 -6.857 -8.762 -4.427
176 HB2 GLU 4 HB2 GLU 4 -9.337 -8.486 -6.135
177 HB3 GLU 4 HB1 GLU 4 -7.997 -9.562 -6.533
178 HG2 GLU 4 HG2 GLU 4 -9.570 -9.638 -3.942
179 HG3 GLU 4 HG1 GLU 4 -9.807 -10.738 -5.299
180 H LYS 5 HN LYS 5 -8.430 -6.160 -6.278
181 HA LYS 5 HA LYS 5 -6.558 -5.965 -8.349
182 HB2 LYS 5 HB2 LYS 5 -8.859 -4.781 -8.022
183 HB3 LYS 5 HB1 LYS 5 -7.906 -3.532 -7.220
184 HG2 LYS 5 HG2 LYS 5 -6.872 -4.515 -9.830
185 HG3 LYS 5 HG1 LYS 5 -8.338 -3.535 -9.881
186 HD2 LYS 5 HD2 LYS 5 -7.267 -1.695 -8.807
187 HD3 LYS 5 HD1 LYS 5 -5.883 -2.682 -8.338
188 HE2 LYS 5 HE2 LYS 5 -5.258 -1.312 -10.251
189 HE3 LYS 5 HE1 LYS 5 -5.343 -2.998 -10.758
190 HZ1 LYS 5 HZ1 LYS 5 -7.765 -2.405 -11.341
191 HZ2 LYS 5 HZ2 LYS 5 -6.524 -1.915 -12.392
192 HZ3 LYS 5 HZ3 LYS 5 -7.220 -0.800 -11.316
193 H LEU 6 HN LEU 6 -6.683 -4.268 -5.223
194 HA LEU 6 HA LEU 6 -4.419 -2.655 -5.565
195 HB2 LEU 6 HB2 LEU 6 -5.983 -2.339 -3.712
196 HB3 LEU 6 HB1 LEU 6 -5.507 -3.892 -3.025
197 HG LEU 6 HG LEU 6 -3.264 -2.059 -3.602
198 HD11 LEU 6 HD11 LEU 6 -4.925 -0.431 -2.816
199 HD12 LEU 6 HD12 LEU 6 -3.697 -0.691 -1.576
200 HD13 LEU 6 HD13 LEU 6 -5.282 -1.449 -1.420
201 HD21 LEU 6 HD21 LEU 6 -4.156 -3.834 -1.316
202 HD22 LEU 6 HD22 LEU 6 -2.711 -2.827 -1.227
203 HD23 LEU 6 HD23 LEU 6 -2.821 -4.106 -2.436
204 H MET 7 HN MET 7 -4.704 -5.919 -4.178
205 HA MET 7 HA MET 7 -2.020 -6.284 -3.473
206 HB2 MET 7 HB2 MET 7 -3.897 -7.794 -2.834
207 HB3 MET 7 HB1 MET 7 -3.929 -8.400 -4.490
208 HG2 MET 7 HG2 MET 7 -2.581 -9.938 -3.239
209 HG3 MET 7 HG1 MET 7 -1.464 -8.970 -4.202
210 HE1 MET 7 HE1 MET 7 0.810 -9.036 -2.733
211 HE2 MET 7 HE2 MET 7 0.858 -7.454 -1.959
212 HE3 MET 7 HE3 MET 7 0.161 -7.618 -3.569
213 H LYS 8 HN LYS 8 -3.703 -7.060 -6.510
214 HA LYS 8 HA LYS 8 -1.544 -8.212 -7.869
215 HB2 LYS 8 HB2 LYS 8 -3.941 -6.666 -8.865
216 HB3 LYS 8 HB1 LYS 8 -2.783 -7.441 -9.947
217 HG2 LYS 8 HG2 LYS 8 -3.245 -9.616 -8.980
218 HG3 LYS 8 HG1 LYS 8 -4.267 -8.892 -7.738
219 HD2 LYS 8 HD2 LYS 8 -5.711 -9.787 -9.465
220 HD3 LYS 8 HD1 LYS 8 -5.761 -8.027 -9.569
221 HE2 LYS 8 HE2 LYS 8 -4.135 -8.058 -11.398
222 HE3 LYS 8 HE1 LYS 8 -3.989 -9.810 -11.266
223 HZ1 LYS 8 HZ1 LYS 8 -6.569 -9.680 -11.569
224 HZ2 LYS 8 HZ2 LYS 8 -5.532 -9.640 -12.915
225 HZ3 LYS 8 HZ3 LYS 8 -6.203 -8.200 -12.312
226 H ALA 9 HN ALA 9 -2.621 -4.821 -7.755
227 HA ALA 9 HA ALA 9 -0.718 -3.746 -9.504
228 HB1 ALA 9 HB1 ALA 9 -2.174 -2.573 -7.136
229 HB2 ALA 9 HB2 ALA 9 -2.527 -2.354 -8.850
230 HB3 ALA 9 HB3 ALA 9 -1.088 -1.618 -8.145
231 H PHE 10 HN PHE 10 -0.587 -4.174 -5.973
232 HA PHE 10 HA PHE 10 1.925 -3.020 -5.534
233 HB2 PHE 10 HB2 PHE 10 0.282 -3.696 -3.766
234 HB3 PHE 10 HB1 PHE 10 0.753 -5.374 -4.040
235 HD1 PHE 10 HD1 PHE 10 2.492 -2.068 -3.632
236 HD2 PHE 10 HD2 PHE 10 2.307 -6.216 -2.534
237 HE1 PHE 10 HE1 PHE 10 4.444 -1.758 -2.136
238 HE2 PHE 10 HE2 PHE 10 4.261 -5.907 -1.040
239 HZ PHE 10 HZ PHE 10 5.329 -3.678 -0.840
240 H GLU 11 HN GLU 11 1.062 -6.399 -6.243
241 HA GLU 11 HA GLU 11 3.635 -7.497 -6.112
242 HB2 GLU 11 HB2 GLU 11 1.221 -8.264 -7.761
243 HB3 GLU 11 HB1 GLU 11 2.697 -9.229 -7.705
244 HG2 GLU 11 HG2 GLU 11 2.480 -9.534 -5.312
245 HG3 GLU 11 HG1 GLU 11 1.117 -8.417 -5.251
246 H SER 12 HN SER 12 1.882 -6.115 -8.887
247 HA SER 12 HA SER 12 3.828 -6.569 -10.851
248 HB2 SER 12 HB2 SER 12 1.551 -5.805 -11.379
249 HB3 SER 12 HB1 SER 12 1.881 -4.259 -10.603
250 HG SER 12 HG SER 12 3.406 -5.319 -12.748
251 H LEU 13 HN LEU 13 3.338 -3.769 -8.704
252 HA LEU 13 HA LEU 13 5.433 -2.171 -9.655
253 HB2 LEU 13 HB2 LEU 13 3.751 -1.304 -8.121
254 HB3 LEU 13 HB1 LEU 13 4.304 -2.399 -6.854
255 HG LEU 13 HG LEU 13 6.435 -0.738 -8.038
256 HD11 LEU 13 HD11 LEU 13 4.617 0.904 -8.073
257 HD12 LEU 13 HD12 LEU 13 5.737 1.285 -6.766
258 HD13 LEU 13 HD13 LEU 13 4.197 0.504 -6.408
259 HD21 LEU 13 HD21 LEU 13 5.563 -1.066 -5.156
260 HD22 LEU 13 HD22 LEU 13 7.166 -0.641 -5.758
261 HD23 LEU 13 HD23 LEU 13 6.539 -2.273 -5.994
262 H LYS 14 HN LYS 14 5.415 -4.595 -7.050
263 HA LYS 14 HA LYS 14 8.076 -4.310 -6.228
264 HB2 LYS 14 HB2 LYS 14 6.218 -6.688 -6.215
265 HB3 LYS 14 HB1 LYS 14 7.840 -6.750 -5.527
266 HG2 LYS 14 HG2 LYS 14 7.219 -4.730 -4.132
267 HG3 LYS 14 HG1 LYS 14 5.559 -4.946 -4.690
268 HD2 LYS 14 HD2 LYS 14 7.160 -7.133 -3.339
269 HD3 LYS 14 HD1 LYS 14 6.065 -6.056 -2.474
270 HE2 LYS 14 HE2 LYS 14 4.212 -6.787 -3.972
271 HE3 LYS 14 HE1 LYS 14 5.319 -7.921 -4.746
272 HZ1 LYS 14 HZ1 LYS 14 5.586 -9.103 -2.731
273 HZ2 LYS 14 HZ2 LYS 14 3.914 -8.878 -2.939
274 HZ3 LYS 14 HZ3 LYS 14 4.773 -7.916 -1.833
275 H SER 15 HN SER 15 6.666 -6.458 -8.689
276 HA SER 15 HA SER 15 9.020 -7.787 -9.426
277 HB2 SER 15 HB2 SER 15 7.878 -8.325 -11.518
278 HB3 SER 15 HB1 SER 15 6.765 -8.489 -10.164
279 HG SER 15 HG SER 15 6.942 -6.463 -12.117
280 H PHE 16 HN PHE 16 7.561 -4.811 -10.714
281 HA PHE 16 HA PHE 16 9.439 -4.285 -12.721
282 HB2 PHE 16 HB2 PHE 16 7.387 -3.025 -12.626
283 HB3 PHE 16 HB1 PHE 16 7.792 -2.393 -11.030
284 HD1 PHE 16 HD1 PHE 16 8.925 -2.446 -14.587
285 HD2 PHE 16 HD2 PHE 16 9.115 -0.445 -10.790
286 HE1 PHE 16 HE1 PHE 16 10.153 -0.566 -15.639
287 HE2 PHE 16 HE2 PHE 16 10.344 1.435 -11.842
288 HZ PHE 16 HZ PHE 16 10.864 1.374 -14.266
289 H GLN 17 HN GLN 17 9.386 -3.251 -9.318
290 HA GLN 17 HA GLN 17 11.719 -1.704 -9.334
291 HB2 GLN 17 HB2 GLN 17 10.123 -3.119 -7.267
292 HB3 GLN 17 HB1 GLN 17 11.771 -2.671 -6.829
293 HG2 GLN 17 HG2 GLN 17 9.764 -0.746 -8.029
294 HG3 GLN 17 HG1 GLN 17 10.062 -0.901 -6.299
295 HE21 GLN 17 HE21 GLN 17 10.842 1.087 -8.771
296 HE22 GLN 17 HE22 GLN 17 12.412 1.543 -8.314
297 H1 ALA 1 HT1 ALA 1 -0.915 12.174 1.860
298 H2 ALA 1 HT2 ALA 1 0.562 11.690 1.174
299 H3 ALA 1 HT3 ALA 1 0.475 13.117 2.093
300 HA ALA 1 HA ALA 1 0.102 11.925 4.095
301 HB1 ALA 1 HB1 ALA 1 -1.344 10.184 3.036
302 HB2 ALA 1 HB2 ALA 1 -0.125 9.495 4.107
303 HB3 ALA 1 HB3 ALA 1 0.103 9.437 2.359
304 H THR 2 HN THR 2 1.878 11.257 5.311
305 HA THR 2 HA THR 2 4.430 11.758 4.291
306 HB THR 2 HB THR 2 5.131 10.379 6.405
307 HG1 THR 2 HG1 THR 2 2.851 9.512 6.381
308 HG21 THR 2 HG21 THR 2 3.379 12.832 6.703
309 HG22 THR 2 HG22 THR 2 5.060 12.872 6.171
310 HG23 THR 2 HG23 THR 2 4.662 12.312 7.795
311 H LEU 3 HN LEU 3 5.365 10.641 2.695
312 HA LEU 3 HA LEU 3 4.786 8.007 1.940
313 HB2 LEU 3 HB2 LEU 3 7.288 9.658 1.515
314 HB3 LEU 3 HB1 LEU 3 6.956 8.130 0.699
315 HG LEU 3 HG LEU 3 5.114 10.533 0.592
316 HD11 LEU 3 HD11 LEU 3 5.987 10.699 -1.781
317 HD12 LEU 3 HD12 LEU 3 7.259 9.569 -1.318
318 HD13 LEU 3 HD13 LEU 3 7.152 11.145 -0.535
319 HD21 LEU 3 HD21 LEU 3 4.255 9.219 -1.419
320 HD22 LEU 3 HD22 LEU 3 3.906 8.509 0.155
321 HD23 LEU 3 HD23 LEU 3 5.216 7.862 -0.832
322 H GLU 4 HN GLU 4 7.435 9.275 3.953
323 HA GLU 4 HA GLU 4 8.762 6.857 4.427
324 HB2 GLU 4 HB2 GLU 4 8.486 9.337 6.135
325 HB3 GLU 4 HB1 GLU 4 9.562 7.997 6.533
326 HG2 GLU 4 HG2 GLU 4 9.638 9.570 3.942
327 HG3 GLU 4 HG1 GLU 4 10.738 9.807 5.299
328 H LYS 5 HN LYS 5 6.160 8.430 6.278
329 HA LYS 5 HA LYS 5 5.965 6.559 8.349
330 HB2 LYS 5 HB2 LYS 5 4.788 8.853 8.056
331 HB3 LYS 5 HB1 LYS 5 3.550 7.934 7.199
332 HG2 LYS 5 HG2 LYS 5 4.454 6.829 9.809
333 HG3 LYS 5 HG1 LYS 5 3.485 8.302 9.868
334 HD2 LYS 5 HD2 LYS 5 1.739 7.227 8.510
335 HD3 LYS 5 HD1 LYS 5 2.709 5.757 8.413
336 HE2 LYS 5 HE2 LYS 5 1.026 5.517 10.174
337 HE3 LYS 5 HE1 LYS 5 2.635 5.574 10.892
338 HZ1 LYS 5 HZ1 LYS 5 2.333 7.806 11.524
339 HZ2 LYS 5 HZ2 LYS 5 0.900 7.009 11.970
340 HZ3 LYS 5 HZ3 LYS 5 0.937 7.979 10.575
341 H LEU 6 HN LEU 6 4.268 6.683 5.223
342 HA LEU 6 HA LEU 6 2.655 4.419 5.565
343 HB2 LEU 6 HB2 LEU 6 2.339 5.983 3.712
344 HB3 LEU 6 HB1 LEU 6 3.892 5.507 3.025
345 HG LEU 6 HG LEU 6 2.059 3.264 3.602
346 HD11 LEU 6 HD11 LEU 6 0.431 4.925 2.816
347 HD12 LEU 6 HD12 LEU 6 0.691 3.697 1.576
348 HD13 LEU 6 HD13 LEU 6 1.449 5.282 1.420
349 HD21 LEU 6 HD21 LEU 6 3.834 4.156 1.316
350 HD22 LEU 6 HD22 LEU 6 2.827 2.711 1.227
351 HD23 LEU 6 HD23 LEU 6 4.106 2.821 2.436
352 H MET 7 HN MET 7 5.919 4.704 4.178
353 HA MET 7 HA MET 7 6.284 2.020 3.473
354 HB2 MET 7 HB2 MET 7 7.794 3.897 2.834
355 HB3 MET 7 HB1 MET 7 8.400 3.929 4.490
356 HG2 MET 7 HG2 MET 7 9.938 2.581 3.239
357 HG3 MET 7 HG1 MET 7 8.970 1.464 4.202
358 HE1 MET 7 HE1 MET 7 9.036 -0.810 2.733
359 HE2 MET 7 HE2 MET 7 7.454 -0.858 1.959
360 HE3 MET 7 HE3 MET 7 7.618 -0.161 3.569
361 H LYS 8 HN LYS 8 7.060 3.703 6.510
362 HA LYS 8 HA LYS 8 8.212 1.544 7.869
363 HB2 LYS 8 HB2 LYS 8 6.666 3.941 8.865
364 HB3 LYS 8 HB1 LYS 8 7.441 2.783 9.947
365 HG2 LYS 8 HG2 LYS 8 9.616 3.245 8.980
366 HG3 LYS 8 HG1 LYS 8 8.892 4.267 7.738
367 HD2 LYS 8 HD2 LYS 8 9.787 5.711 9.465
368 HD3 LYS 8 HD1 LYS 8 8.027 5.761 9.569
369 HE2 LYS 8 HE2 LYS 8 8.058 4.135 11.398
370 HE3 LYS 8 HE1 LYS 8 9.810 3.989 11.266
371 HZ1 LYS 8 HZ1 LYS 8 9.680 6.569 11.569
372 HZ2 LYS 8 HZ2 LYS 8 9.640 5.532 12.915
373 HZ3 LYS 8 HZ3 LYS 8 8.200 6.203 12.312
374 H ALA 9 HN ALA 9 4.821 2.621 7.755
375 HA ALA 9 HA ALA 9 3.746 0.718 9.504
376 HB1 ALA 9 HB1 ALA 9 2.573 2.174 7.135
377 HB2 ALA 9 HB2 ALA 9 2.354 2.527 8.849
378 HB3 ALA 9 HB3 ALA 9 1.618 1.088 8.145
379 H PHE 10 HN PHE 10 4.174 0.587 5.973
380 HA PHE 10 HA PHE 10 3.020 -1.925 5.534
381 HB2 PHE 10 HB2 PHE 10 3.696 -0.282 3.766
382 HB3 PHE 10 HB1 PHE 10 5.374 -0.753 4.040
383 HD1 PHE 10 HD1 PHE 10 2.068 -2.492 3.632
384 HD2 PHE 10 HD2 PHE 10 6.216 -2.307 2.534
385 HE1 PHE 10 HE1 PHE 10 1.758 -4.444 2.136
386 HE2 PHE 10 HE2 PHE 10 5.907 -4.261 1.040
387 HZ PHE 10 HZ PHE 10 3.678 -5.329 0.840
388 H GLU 11 HN GLU 11 6.399 -1.062 6.243
389 HA GLU 11 HA GLU 11 7.497 -3.635 6.112
390 HB2 GLU 11 HB2 GLU 11 8.264 -1.221 7.761
391 HB3 GLU 11 HB1 GLU 11 9.229 -2.697 7.705
392 HG2 GLU 11 HG2 GLU 11 9.534 -2.480 5.312
393 HG3 GLU 11 HG1 GLU 11 8.417 -1.117 5.251
394 H SER 12 HN SER 12 6.115 -1.882 8.887
395 HA SER 12 HA SER 12 6.572 -3.838 10.838
396 HB2 SER 12 HB2 SER 12 4.801 -2.752 12.123
397 HB3 SER 12 HB1 SER 12 5.822 -1.540 11.357
398 HG SER 12 HG SER 12 4.252 -1.108 9.925
399 H LEU 13 HN LEU 13 3.769 -3.338 8.704
400 HA LEU 13 HA LEU 13 2.170 -5.433 9.655
401 HB2 LEU 13 HB2 LEU 13 1.316 -3.742 8.115
402 HB3 LEU 13 HB1 LEU 13 2.399 -4.318 6.848
403 HG LEU 13 HG LEU 13 0.697 -6.402 8.073
404 HD11 LEU 13 HD11 LEU 13 -0.897 -4.530 8.017
405 HD12 LEU 13 HD12 LEU 13 -1.296 -5.709 6.768
406 HD13 LEU 13 HD13 LEU 13 -0.477 -4.209 6.335
407 HD21 LEU 13 HD21 LEU 13 1.543 -5.562 5.290
408 HD22 LEU 13 HD22 LEU 13 0.397 -6.873 5.570
409 HD23 LEU 13 HD23 LEU 13 2.044 -6.995 6.188
410 H LYS 14 HN LYS 14 4.595 -5.415 7.050
411 HA LYS 14 HA LYS 14 4.310 -8.076 6.228
412 HB2 LYS 14 HB2 LYS 14 6.688 -6.218 6.215
413 HB3 LYS 14 HB1 LYS 14 6.750 -7.840 5.527
414 HG2 LYS 14 HG2 LYS 14 4.730 -7.219 4.132
415 HG3 LYS 14 HG1 LYS 14 4.946 -5.559 4.690
416 HD2 LYS 14 HD2 LYS 14 7.133 -7.160 3.339
417 HD3 LYS 14 HD1 LYS 14 6.056 -6.065 2.474
418 HE2 LYS 14 HE2 LYS 14 6.787 -4.212 3.972
419 HE3 LYS 14 HE1 LYS 14 7.921 -5.319 4.746
420 HZ1 LYS 14 HZ1 LYS 14 9.103 -5.586 2.731
421 HZ2 LYS 14 HZ2 LYS 14 8.878 -3.914 2.939
422 HZ3 LYS 14 HZ3 LYS 14 7.916 -4.773 1.833
423 H SER 15 HN SER 15 6.458 -6.666 8.689
424 HA SER 15 HA SER 15 7.796 -9.014 9.433
425 HB2 SER 15 HB2 SER 15 8.505 -6.787 10.189
426 HB3 SER 15 HB1 SER 15 7.038 -6.635 11.151
427 HG SER 15 HG SER 15 9.354 -7.908 11.718
428 H PHE 16 HN PHE 16 4.811 -7.561 10.714
429 HA PHE 16 HA PHE 16 4.295 -9.442 12.715
430 HB2 PHE 16 HB2 PHE 16 3.102 -7.266 12.414
431 HB3 PHE 16 HB1 PHE 16 2.238 -7.973 11.052
432 HD1 PHE 16 HD1 PHE 16 2.961 -10.441 13.546
433 HD2 PHE 16 HD2 PHE 16 0.237 -7.265 12.569
434 HE1 PHE 16 HE1 PHE 16 1.291 -11.391 15.109
435 HE2 PHE 16 HE2 PHE 16 -1.433 -8.220 14.130
436 HZ PHE 16 HZ PHE 16 -0.907 -10.282 15.401
437 H GLN 17 HN GLN 17 3.251 -9.386 9.318
438 HA GLN 17 HA GLN 17 1.705 -11.720 9.337
439 HB2 GLN 17 HB2 GLN 17 3.346 -10.462 7.130
440 HB3 GLN 17 HB1 GLN 17 2.240 -11.812 6.877
441 HG2 GLN 17 HG2 GLN 17 1.467 -9.121 8.039
442 HG3 GLN 17 HG1 GLN 17 1.159 -9.635 6.382
443 HE21 GLN 17 HE21 GLN 17 -0.547 -9.183 9.070
444 HE22 GLN 17 HE22 GLN 17 -1.616 -10.500 9.012
445 H1 ALA 1 HT1 ALA 1 0.915 -12.174 1.860
446 H2 ALA 1 HT2 ALA 1 -0.562 -11.690 1.174
447 H3 ALA 1 HT3 ALA 1 -0.475 -13.117 2.093
448 HA ALA 1 HA ALA 1 -0.102 -11.925 4.095
449 HB1 ALA 1 HB1 ALA 1 1.344 -10.184 3.036
450 HB2 ALA 1 HB2 ALA 1 0.125 -9.495 4.107
451 HB3 ALA 1 HB3 ALA 1 -0.103 -9.437 2.359
452 H THR 2 HN THR 2 -1.878 -11.257 5.311
453 HA THR 2 HA THR 2 -4.430 -11.758 4.291
454 HB THR 2 HB THR 2 -5.131 -10.378 6.405
455 HG1 THR 2 HG1 THR 2 -2.857 -9.507 6.386
456 HG21 THR 2 HG21 THR 2 -3.382 -12.833 6.703
457 HG22 THR 2 HG22 THR 2 -5.062 -12.871 6.170
458 HG23 THR 2 HG23 THR 2 -4.665 -12.312 7.795
459 H LEU 3 HN LEU 3 -5.365 -10.641 2.695
460 HA LEU 3 HA LEU 3 -4.786 -8.007 1.940
461 HB2 LEU 3 HB2 LEU 3 -7.288 -9.658 1.515
462 HB3 LEU 3 HB1 LEU 3 -6.956 -8.130 0.699
463 HG LEU 3 HG LEU 3 -5.114 -10.533 0.592
464 HD11 LEU 3 HD11 LEU 3 -5.987 -10.699 -1.781
465 HD12 LEU 3 HD12 LEU 3 -7.259 -9.569 -1.318
466 HD13 LEU 3 HD13 LEU 3 -7.152 -11.145 -0.535
467 HD21 LEU 3 HD21 LEU 3 -4.255 -9.219 -1.419
468 HD22 LEU 3 HD22 LEU 3 -3.906 -8.509 0.155
469 HD23 LEU 3 HD23 LEU 3 -5.216 -7.862 -0.832
470 H GLU 4 HN GLU 4 -7.435 -9.275 3.953
471 HA GLU 4 HA GLU 4 -8.762 -6.857 4.427
472 HB2 GLU 4 HB2 GLU 4 -8.486 -9.337 6.135
473 HB3 GLU 4 HB1 GLU 4 -9.562 -7.997 6.533
474 HG2 GLU 4 HG2 GLU 4 -9.638 -9.570 3.942
475 HG3 GLU 4 HG1 GLU 4 -10.738 -9.807 5.299
476 H LYS 5 HN LYS 5 -6.160 -8.430 6.278
477 HA LYS 5 HA LYS 5 -5.964 -6.560 8.350
478 HB2 LYS 5 HB2 LYS 5 -4.787 -8.856 8.037
479 HB3 LYS 5 HB1 LYS 5 -3.543 -7.921 7.206
480 HG2 LYS 5 HG2 LYS 5 -4.483 -6.845 9.812
481 HG3 LYS 5 HG1 LYS 5 -3.517 -8.320 9.872
482 HD2 LYS 5 HD2 LYS 5 -1.714 -7.264 8.650
483 HD3 LYS 5 HD1 LYS 5 -2.692 -5.824 8.365
484 HE2 LYS 5 HE2 LYS 5 -1.159 -5.398 10.216
485 HE3 LYS 5 HE1 LYS 5 -2.811 -5.460 10.830
486 HZ1 LYS 5 HZ1 LYS 5 -2.391 -7.846 11.347
487 HZ2 LYS 5 HZ2 LYS 5 -1.465 -6.756 12.263
488 HZ3 LYS 5 HZ3 LYS 5 -0.758 -7.595 10.966
489 H LEU 6 HN LEU 6 -4.268 -6.683 5.223
490 HA LEU 6 HA LEU 6 -2.655 -4.419 5.565
491 HB2 LEU 6 HB2 LEU 6 -2.339 -5.983 3.712
492 HB3 LEU 6 HB1 LEU 6 -3.892 -5.507 3.025
493 HG LEU 6 HG LEU 6 -2.059 -3.264 3.602
494 HD11 LEU 6 HD11 LEU 6 -0.431 -4.925 2.816
495 HD12 LEU 6 HD12 LEU 6 -0.691 -3.697 1.576
496 HD13 LEU 6 HD13 LEU 6 -1.449 -5.282 1.420
497 HD21 LEU 6 HD21 LEU 6 -3.834 -4.156 1.316
498 HD22 LEU 6 HD22 LEU 6 -2.827 -2.711 1.227
499 HD23 LEU 6 HD23 LEU 6 -4.106 -2.821 2.436
500 H MET 7 HN MET 7 -5.919 -4.704 4.178
501 HA MET 7 HA MET 7 -6.284 -2.020 3.473
502 HB2 MET 7 HB2 MET 7 -7.794 -3.897 2.834
503 HB3 MET 7 HB1 MET 7 -8.400 -3.929 4.490
504 HG2 MET 7 HG2 MET 7 -9.938 -2.581 3.239
505 HG3 MET 7 HG1 MET 7 -8.970 -1.464 4.202
506 HE1 MET 7 HE1 MET 7 -9.036 0.810 2.733
507 HE2 MET 7 HE2 MET 7 -7.454 0.858 1.959
508 HE3 MET 7 HE3 MET 7 -7.618 0.161 3.569
509 H LYS 8 HN LYS 8 -7.060 -3.703 6.510
510 HA LYS 8 HA LYS 8 -8.212 -1.544 7.869
511 HB2 LYS 8 HB2 LYS 8 -6.666 -3.941 8.865
512 HB3 LYS 8 HB1 LYS 8 -7.441 -2.783 9.947
513 HG2 LYS 8 HG2 LYS 8 -9.616 -3.245 8.980
514 HG3 LYS 8 HG1 LYS 8 -8.892 -4.267 7.738
515 HD2 LYS 8 HD2 LYS 8 -9.787 -5.711 9.465
516 HD3 LYS 8 HD1 LYS 8 -8.027 -5.761 9.569
517 HE2 LYS 8 HE2 LYS 8 -8.058 -4.135 11.398
518 HE3 LYS 8 HE1 LYS 8 -9.810 -3.989 11.266
519 HZ1 LYS 8 HZ1 LYS 8 -9.680 -6.569 11.569
520 HZ2 LYS 8 HZ2 LYS 8 -9.640 -5.532 12.915
521 HZ3 LYS 8 HZ3 LYS 8 -8.200 -6.203 12.312
522 H ALA 9 HN ALA 9 -4.821 -2.621 7.755
523 HA ALA 9 HA ALA 9 -3.746 -0.718 9.504
524 HB1 ALA 9 HB1 ALA 9 -2.573 -2.174 7.136
525 HB2 ALA 9 HB2 ALA 9 -2.354 -2.527 8.850
526 HB3 ALA 9 HB3 ALA 9 -1.618 -1.088 8.145
527 H PHE 10 HN PHE 10 -4.174 -0.587 5.973
528 HA PHE 10 HA PHE 10 -3.020 1.925 5.534
529 HB2 PHE 10 HB2 PHE 10 -3.696 0.282 3.766
530 HB3 PHE 10 HB1 PHE 10 -5.374 0.753 4.040
531 HD1 PHE 10 HD1 PHE 10 -2.068 2.492 3.632
532 HD2 PHE 10 HD2 PHE 10 -6.216 2.307 2.534
533 HE1 PHE 10 HE1 PHE 10 -1.758 4.444 2.136
534 HE2 PHE 10 HE2 PHE 10 -5.907 4.261 1.040
535 HZ PHE 10 HZ PHE 10 -3.678 5.329 0.840
536 H GLU 11 HN GLU 11 -6.399 1.062 6.243
537 HA GLU 11 HA GLU 11 -7.497 3.635 6.112
538 HB2 GLU 11 HB2 GLU 11 -8.264 1.221 7.761
539 HB3 GLU 11 HB1 GLU 11 -9.229 2.697 7.705
540 HG2 GLU 11 HG2 GLU 11 -9.534 2.480 5.312
541 HG3 GLU 11 HG1 GLU 11 -8.417 1.117 5.251
542 H SER 12 HN SER 12 -6.115 1.882 8.887
543 HA SER 12 HA SER 12 -6.573 3.839 10.837
544 HB2 SER 12 HB2 SER 12 -4.801 2.753 12.124
545 HB3 SER 12 HB1 SER 12 -5.823 1.541 11.360
546 HG SER 12 HG SER 12 -3.258 1.709 11.178
547 H LEU 13 HN LEU 13 -3.769 3.338 8.704
548 HA LEU 13 HA LEU 13 -2.171 5.433 9.655
549 HB2 LEU 13 HB2 LEU 13 -1.319 3.740 8.115
550 HB3 LEU 13 HB1 LEU 13 -2.395 4.324 6.846
551 HG LEU 13 HG LEU 13 -0.697 6.402 8.083
552 HD11 LEU 13 HD11 LEU 13 0.893 4.524 8.044
553 HD12 LEU 13 HD12 LEU 13 1.308 5.706 6.803
554 HD13 LEU 13 HD13 LEU 13 0.492 4.208 6.356
555 HD21 LEU 13 HD21 LEU 13 -1.501 5.558 5.288
556 HD22 LEU 13 HD22 LEU 13 -0.377 6.882 5.592
557 HD23 LEU 13 HD23 LEU 13 -2.036 6.981 6.181
558 H LYS 14 HN LYS 14 -4.595 5.415 7.050
559 HA LYS 14 HA LYS 14 -4.310 8.076 6.228
560 HB2 LYS 14 HB2 LYS 14 -6.688 6.218 6.215
561 HB3 LYS 14 HB1 LYS 14 -6.750 7.840 5.527
562 HG2 LYS 14 HG2 LYS 14 -4.730 7.219 4.132
563 HG3 LYS 14 HG1 LYS 14 -4.946 5.559 4.690
564 HD2 LYS 14 HD2 LYS 14 -7.133 7.160 3.339
565 HD3 LYS 14 HD1 LYS 14 -6.056 6.065 2.474
566 HE2 LYS 14 HE2 LYS 14 -6.787 4.212 3.972
567 HE3 LYS 14 HE1 LYS 14 -7.921 5.319 4.746
568 HZ1 LYS 14 HZ1 LYS 14 -9.103 5.586 2.731
569 HZ2 LYS 14 HZ2 LYS 14 -8.878 3.914 2.939
570 HZ3 LYS 14 HZ3 LYS 14 -7.916 4.773 1.833
571 H SER 15 HN SER 15 -6.458 6.666 8.689
572 HA SER 15 HA SER 15 -7.796 9.014 9.433
573 HB2 SER 15 HB2 SER 15 -8.505 6.786 10.190
574 HB3 SER 15 HB1 SER 15 -7.038 6.635 11.152
575 HG SER 15 HG SER 15 -7.732 8.494 12.312
576 H PHE 16 HN PHE 16 -4.811 7.561 10.714
577 HA PHE 16 HA PHE 16 -4.290 9.443 12.718
578 HB2 PHE 16 HB2 PHE 16 -3.034 7.357 12.572
579 HB3 PHE 16 HB1 PHE 16 -2.317 7.872 11.044
580 HD1 PHE 16 HD1 PHE 16 -2.596 8.739 14.658
581 HD2 PHE 16 HD2 PHE 16 -0.430 9.321 10.994
582 HE1 PHE 16 HE1 PHE 16 -0.836 9.972 15.895
583 HE2 PHE 16 HE2 PHE 16 1.332 10.553 12.233
584 HZ PHE 16 HZ PHE 16 1.128 10.879 14.683
585 H GLN 17 HN GLN 17 -3.251 9.386 9.318
586 HA GLN 17 HA GLN 17 -1.705 11.720 9.337
587 HB2 GLN 17 HB2 GLN 17 -3.346 10.462 7.130
588 HB3 GLN 17 HB1 GLN 17 -2.240 11.812 6.877
589 HG2 GLN 17 HG2 GLN 17 -1.467 9.121 8.039
590 HG3 GLN 17 HG1 GLN 17 -1.160 9.634 6.382
591 HE21 GLN 17 HE21 GLN 17 0.547 9.183 9.071
592 HE22 GLN 17 HE22 GLN 17 1.616 10.500 9.011
Start of MODEL 3
1 H1 ALA 1 HT1 ALA 1 12.720 -0.674 -2.615
2 H2 ALA 1 HT2 ALA 1 11.915 0.465 -1.645
3 H3 ALA 1 HT3 ALA 1 13.331 0.902 -2.475
4 HA ALA 1 HA ALA 1 12.175 0.510 -4.602
5 HB1 ALA 1 HB1 ALA 1 10.489 -1.056 -3.628
6 HB2 ALA 1 HB2 ALA 1 9.749 0.247 -4.558
7 HB3 ALA 1 HB3 ALA 1 9.746 0.309 -2.796
8 H THR 2 HN THR 2 11.478 2.387 -5.623
9 HA THR 2 HA THR 2 11.942 4.835 -4.340
10 HB THR 2 HB THR 2 10.566 5.710 -6.400
11 HG1 THR 2 HG1 THR 2 10.646 4.019 -8.037
12 HG21 THR 2 HG21 THR 2 12.539 5.523 -7.751
13 HG22 THR 2 HG22 THR 2 13.060 4.072 -6.895
14 HG23 THR 2 HG23 THR 2 13.081 5.633 -6.076
15 H LEU 3 HN LEU 3 10.782 5.694 -2.743
16 HA LEU 3 HA LEU 3 8.181 4.956 -2.010
17 HB2 LEU 3 HB2 LEU 3 9.747 7.487 -1.462
18 HB3 LEU 3 HB1 LEU 3 8.208 7.101 -0.692
19 HG LEU 3 HG LEU 3 10.620 5.272 -0.607
20 HD11 LEU 3 HD11 LEU 3 10.955 7.523 0.526
21 HD12 LEU 3 HD12 LEU 3 11.087 6.123 1.591
22 HD13 LEU 3 HD13 LEU 3 9.616 7.096 1.592
23 HD21 LEU 3 HD21 LEU 3 7.936 5.347 0.792
24 HD22 LEU 3 HD22 LEU 3 9.285 4.380 1.385
25 HD23 LEU 3 HD23 LEU 3 8.600 4.053 -0.205
26 H GLU 4 HN GLU 4 9.312 7.751 -3.900
27 HA GLU 4 HA GLU 4 6.825 8.970 -4.301
28 HB2 GLU 4 HB2 GLU 4 7.880 10.024 -6.289
29 HB3 GLU 4 HB1 GLU 4 8.890 10.123 -4.848
30 HG2 GLU 4 HG2 GLU 4 10.053 8.010 -5.666
31 HG3 GLU 4 HG1 GLU 4 9.196 8.232 -7.190
32 H LYS 5 HN LYS 5 8.517 6.544 -6.279
33 HA LYS 5 HA LYS 5 6.639 6.360 -8.344
34 HB2 LYS 5 HB2 LYS 5 8.926 5.314 -8.327
35 HB3 LYS 5 HB1 LYS 5 8.275 4.064 -7.264
36 HG2 LYS 5 HG2 LYS 5 6.871 3.198 -8.913
37 HG3 LYS 5 HG1 LYS 5 6.849 4.706 -9.827
38 HD2 LYS 5 HD2 LYS 5 9.300 4.336 -10.323
39 HD3 LYS 5 HD1 LYS 5 9.135 2.733 -9.606
40 HE2 LYS 5 HE2 LYS 5 7.367 3.711 -11.859
41 HE3 LYS 5 HE1 LYS 5 8.867 2.824 -12.135
42 HZ1 LYS 5 HZ1 LYS 5 7.888 1.124 -10.534
43 HZ2 LYS 5 HZ2 LYS 5 7.227 1.196 -12.097
44 HZ3 LYS 5 HZ3 LYS 5 6.404 1.902 -10.790
45 H LEU 6 HN LEU 6 6.866 4.526 -5.305
46 HA LEU 6 HA LEU 6 4.680 2.825 -5.715
47 HB2 LEU 6 HB2 LEU 6 6.263 2.487 -3.886
48 HB3 LEU 6 HB1 LEU 6 5.732 3.987 -3.126
49 HG LEU 6 HG LEU 6 3.558 2.095 -3.771
50 HD11 LEU 6 HD11 LEU 6 5.224 0.468 -3.075
51 HD12 LEU 6 HD12 LEU 6 4.078 0.694 -1.754
52 HD13 LEU 6 HD13 LEU 6 5.665 1.459 -1.685
53 HD21 LEU 6 HD21 LEU 6 3.045 4.068 -2.511
54 HD22 LEU 6 HD22 LEU 6 4.398 3.798 -1.413
55 HD23 LEU 6 HD23 LEU 6 2.994 2.732 -1.361
56 H MET 7 HN MET 7 4.818 6.030 -4.181
57 HA MET 7 HA MET 7 2.123 6.231 -3.451
58 HB2 MET 7 HB2 MET 7 3.913 7.801 -2.735
59 HB3 MET 7 HB1 MET 7 3.938 8.475 -4.364
60 HG2 MET 7 HG2 MET 7 2.512 9.903 -3.069
61 HG3 MET 7 HG1 MET 7 1.447 8.931 -4.083
62 HE1 MET 7 HE1 MET 7 -0.881 7.327 -1.876
63 HE2 MET 7 HE2 MET 7 -0.145 7.410 -3.474
64 HE3 MET 7 HE3 MET 7 -0.795 8.871 -2.734
65 H LYS 8 HN LYS 8 3.751 7.227 -6.455
66 HA LYS 8 HA LYS 8 1.532 8.334 -7.755
67 HB2 LYS 8 HB2 LYS 8 3.981 6.936 -8.842
68 HB3 LYS 8 HB1 LYS 8 2.792 7.741 -9.867
69 HG2 LYS 8 HG2 LYS 8 3.166 9.853 -8.646
70 HG3 LYS 8 HG1 LYS 8 4.359 9.051 -7.625
71 HD2 LYS 8 HD2 LYS 8 5.752 8.572 -9.584
72 HD3 LYS 8 HD1 LYS 8 4.546 9.307 -10.641
73 HE2 LYS 8 HE2 LYS 8 6.341 10.913 -10.184
74 HE3 LYS 8 HE1 LYS 8 4.839 11.463 -9.440
75 HZ1 LYS 8 HZ1 LYS 8 5.593 11.013 -7.355
76 HZ2 LYS 8 HZ2 LYS 8 7.071 11.398 -8.100
77 HZ3 LYS 8 HZ3 LYS 8 6.634 9.773 -7.860
78 H ALA 9 HN ALA 9 2.770 4.998 -7.797
79 HA ALA 9 HA ALA 9 0.910 3.913 -9.587
80 HB1 ALA 9 HB1 ALA 9 2.321 2.634 -7.235
81 HB2 ALA 9 HB2 ALA 9 2.864 2.653 -8.912
82 HB3 ALA 9 HB3 ALA 9 1.423 1.741 -8.462
83 H PHE 10 HN PHE 10 0.779 4.174 -6.039
84 HA PHE 10 HA PHE 10 -1.671 2.881 -5.633
85 HB2 PHE 10 HB2 PHE 10 -0.116 3.501 -3.824
86 HB3 PHE 10 HB1 PHE 10 -0.482 5.203 -4.096
87 HD1 PHE 10 HD1 PHE 10 -1.982 1.937 -3.121
88 HD2 PHE 10 HD2 PHE 10 -2.424 6.209 -3.174
89 HE1 PHE 10 HE1 PHE 10 -3.948 1.753 -1.620
90 HE2 PHE 10 HE2 PHE 10 -4.390 6.025 -1.675
91 HZ PHE 10 HZ PHE 10 -5.151 3.797 -0.897
92 H GLU 11 HN GLU 11 -0.976 6.328 -6.202
93 HA GLU 11 HA GLU 11 -3.599 7.291 -6.014
94 HB2 GLU 11 HB2 GLU 11 -1.232 8.251 -7.630
95 HB3 GLU 11 HB1 GLU 11 -2.752 9.140 -7.525
96 HG2 GLU 11 HG2 GLU 11 -2.540 9.339 -5.120
97 HG3 GLU 11 HG1 GLU 11 -1.124 8.289 -5.116
98 H SER 12 HN SER 12 -1.795 6.125 -8.854
99 HA SER 12 HA SER 12 -3.775 6.574 -10.786
100 HB2 SER 12 HB2 SER 12 -1.655 4.419 -10.636
101 HB3 SER 12 HB1 SER 12 -2.629 4.752 -12.065
102 HG SER 12 HG SER 12 -0.983 6.629 -10.706
103 H LEU 13 HN LEU 13 -3.138 3.706 -8.774
104 HA LEU 13 HA LEU 13 -5.156 2.051 -9.789
105 HB2 LEU 13 HB2 LEU 13 -3.429 1.204 -8.295
106 HB3 LEU 13 HB1 LEU 13 -4.025 2.223 -6.985
107 HG LEU 13 HG LEU 13 -6.201 1.028 -7.070
108 HD11 LEU 13 HD11 LEU 13 -4.760 -0.571 -9.202
109 HD12 LEU 13 HD12 LEU 13 -6.269 0.327 -9.371
110 HD13 LEU 13 HD13 LEU 13 -6.220 -1.138 -8.391
111 HD21 LEU 13 HD21 LEU 13 -3.956 -0.987 -6.868
112 HD22 LEU 13 HD22 LEU 13 -5.450 -0.920 -5.933
113 HD23 LEU 13 HD23 LEU 13 -4.185 0.277 -5.660
114 H LYS 14 HN LYS 14 -5.242 4.355 -7.077
115 HA LYS 14 HA LYS 14 -7.884 3.900 -6.273
116 HB2 LYS 14 HB2 LYS 14 -6.076 6.300 -6.085
117 HB3 LYS 14 HB1 LYS 14 -7.734 6.357 -5.486
118 HG2 LYS 14 HG2 LYS 14 -5.772 4.201 -4.667
119 HG3 LYS 14 HG1 LYS 14 -5.977 5.702 -3.763
120 HD2 LYS 14 HD2 LYS 14 -8.411 5.196 -3.543
121 HD3 LYS 14 HD1 LYS 14 -8.134 3.650 -4.344
122 HE2 LYS 14 HE2 LYS 14 -6.556 3.004 -2.565
123 HE3 LYS 14 HE1 LYS 14 -6.834 4.548 -1.758
124 HZ1 LYS 14 HZ1 LYS 14 -8.225 2.933 -0.745
125 HZ2 LYS 14 HZ2 LYS 14 -8.810 2.390 -2.245
126 HZ3 LYS 14 HZ3 LYS 14 -9.227 3.936 -1.676
127 H SER 15 HN SER 15 -6.590 6.229 -8.626
128 HA SER 15 HA SER 15 -9.003 7.484 -9.299
129 HB2 SER 15 HB2 SER 15 -6.550 6.945 -10.988
130 HB3 SER 15 HB1 SER 15 -7.866 8.012 -11.466
131 HG SER 15 HG SER 15 -6.644 9.407 -10.426
132 H PHE 16 HN PHE 16 -7.415 4.634 -10.722
133 HA PHE 16 HA PHE 16 -9.283 4.111 -12.740
134 HB2 PHE 16 HB2 PHE 16 -7.562 2.191 -11.151
135 HB3 PHE 16 HB1 PHE 16 -8.442 1.763 -12.618
136 HD1 PHE 16 HD1 PHE 16 -5.286 2.155 -11.750
137 HD2 PHE 16 HD2 PHE 16 -8.110 4.176 -14.279
138 HE1 PHE 16 HE1 PHE 16 -3.422 3.047 -13.120
139 HE2 PHE 16 HE2 PHE 16 -6.246 5.068 -15.648
140 HZ PHE 16 HZ PHE 16 -3.901 4.504 -15.068
141 H GLN 17 HN GLN 17 -9.157 2.927 -9.390
142 HA GLN 17 HA GLN 17 -11.413 1.272 -9.473
143 HB2 GLN 17 HB2 GLN 17 -9.647 1.611 -7.596
144 HB3 GLN 17 HB1 GLN 17 -10.724 2.892 -7.037
145 HG2 GLN 17 HG2 GLN 17 -11.812 0.158 -7.669
146 HG3 GLN 17 HG1 GLN 17 -11.067 0.481 -6.105
147 HE21 GLN 17 HE21 GLN 17 -13.960 -0.057 -6.695
148 HE22 GLN 17 HE22 GLN 17 -14.799 1.299 -6.115
149 H1 ALA 1 HT1 ALA 1 -12.720 0.674 -2.615
150 H2 ALA 1 HT2 ALA 1 -11.915 -0.465 -1.645
151 H3 ALA 1 HT3 ALA 1 -13.331 -0.902 -2.475
152 HA ALA 1 HA ALA 1 -12.175 -0.510 -4.602
153 HB1 ALA 1 HB1 ALA 1 -10.489 1.056 -3.628
154 HB2 ALA 1 HB2 ALA 1 -9.749 -0.247 -4.558
155 HB3 ALA 1 HB3 ALA 1 -9.746 -0.309 -2.796
156 H THR 2 HN THR 2 -11.478 -2.387 -5.623
157 HA THR 2 HA THR 2 -11.942 -4.835 -4.340
158 HB THR 2 HB THR 2 -10.547 -5.701 -6.400
159 HG1 THR 2 HG1 THR 2 -10.650 -4.026 -8.040
160 HG21 THR 2 HG21 THR 2 -12.529 -5.559 -7.741
161 HG22 THR 2 HG22 THR 2 -13.073 -4.112 -6.893
162 HG23 THR 2 HG23 THR 2 -13.063 -5.668 -6.064
163 H LEU 3 HN LEU 3 -10.782 -5.694 -2.743
164 HA LEU 3 HA LEU 3 -8.181 -4.956 -2.010
165 HB2 LEU 3 HB2 LEU 3 -9.747 -7.487 -1.462
166 HB3 LEU 3 HB1 LEU 3 -8.208 -7.101 -0.692
167 HG LEU 3 HG LEU 3 -10.620 -5.272 -0.607
168 HD11 LEU 3 HD11 LEU 3 -10.955 -7.523 0.526
169 HD12 LEU 3 HD12 LEU 3 -11.087 -6.123 1.591
170 HD13 LEU 3 HD13 LEU 3 -9.616 -7.096 1.592
171 HD21 LEU 3 HD21 LEU 3 -7.936 -5.347 0.792
172 HD22 LEU 3 HD22 LEU 3 -9.285 -4.380 1.385
173 HD23 LEU 3 HD23 LEU 3 -8.600 -4.053 -0.205
174 H GLU 4 HN GLU 4 -9.312 -7.751 -3.900
175 HA GLU 4 HA GLU 4 -6.825 -8.970 -4.301
176 HB2 GLU 4 HB2 GLU 4 -7.880 -10.024 -6.289
177 HB3 GLU 4 HB1 GLU 4 -8.890 -10.123 -4.848
178 HG2 GLU 4 HG2 GLU 4 -10.053 -8.010 -5.666
179 HG3 GLU 4 HG1 GLU 4 -9.196 -8.232 -7.190
180 H LYS 5 HN LYS 5 -8.517 -6.544 -6.279
181 HA LYS 5 HA LYS 5 -6.644 -6.356 -8.348
182 HB2 LYS 5 HB2 LYS 5 -8.937 -5.317 -8.304
183 HB3 LYS 5 HB1 LYS 5 -8.281 -4.070 -7.243
184 HG2 LYS 5 HG2 LYS 5 -6.665 -3.408 -8.939
185 HG3 LYS 5 HG1 LYS 5 -7.179 -4.728 -9.990
186 HD2 LYS 5 HD2 LYS 5 -9.498 -3.721 -9.971
187 HD3 LYS 5 HD1 LYS 5 -8.815 -2.326 -9.136
188 HE2 LYS 5 HE2 LYS 5 -7.861 -3.356 -11.824
189 HE3 LYS 5 HE1 LYS 5 -8.957 -1.992 -11.607
190 HZ1 LYS 5 HZ1 LYS 5 -7.313 -0.735 -10.583
191 HZ2 LYS 5 HZ2 LYS 5 -6.484 -1.504 -11.850
192 HZ3 LYS 5 HZ3 LYS 5 -6.331 -2.078 -10.260
193 H LEU 6 HN LEU 6 -6.866 -4.526 -5.305
194 HA LEU 6 HA LEU 6 -4.680 -2.825 -5.714
195 HB2 LEU 6 HB2 LEU 6 -6.263 -2.488 -3.886
196 HB3 LEU 6 HB1 LEU 6 -5.732 -3.988 -3.126
197 HG LEU 6 HG LEU 6 -3.558 -2.095 -3.771
198 HD11 LEU 6 HD11 LEU 6 -5.225 -0.468 -3.075
199 HD12 LEU 6 HD12 LEU 6 -4.078 -0.695 -1.754
200 HD13 LEU 6 HD13 LEU 6 -5.666 -1.460 -1.685
201 HD21 LEU 6 HD21 LEU 6 -3.045 -4.068 -2.511
202 HD22 LEU 6 HD22 LEU 6 -4.398 -3.798 -1.413
203 HD23 LEU 6 HD23 LEU 6 -2.994 -2.732 -1.360
204 H MET 7 HN MET 7 -4.818 -6.030 -4.181
205 HA MET 7 HA MET 7 -2.123 -6.231 -3.451
206 HB2 MET 7 HB2 MET 7 -3.913 -7.801 -2.735
207 HB3 MET 7 HB1 MET 7 -3.938 -8.475 -4.364
208 HG2 MET 7 HG2 MET 7 -2.512 -9.903 -3.069
209 HG3 MET 7 HG1 MET 7 -1.447 -8.931 -4.083
210 HE1 MET 7 HE1 MET 7 0.881 -7.327 -1.876
211 HE2 MET 7 HE2 MET 7 0.145 -7.410 -3.474
212 HE3 MET 7 HE3 MET 7 0.795 -8.871 -2.734
213 H LYS 8 HN LYS 8 -3.751 -7.227 -6.455
214 HA LYS 8 HA LYS 8 -1.532 -8.334 -7.755
215 HB2 LYS 8 HB2 LYS 8 -3.981 -6.936 -8.842
216 HB3 LYS 8 HB1 LYS 8 -2.792 -7.741 -9.867
217 HG2 LYS 8 HG2 LYS 8 -3.166 -9.853 -8.646
218 HG3 LYS 8 HG1 LYS 8 -4.359 -9.051 -7.625
219 HD2 LYS 8 HD2 LYS 8 -5.752 -8.572 -9.584
220 HD3 LYS 8 HD1 LYS 8 -4.546 -9.307 -10.641
221 HE2 LYS 8 HE2 LYS 8 -6.341 -10.913 -10.184
222 HE3 LYS 8 HE1 LYS 8 -4.839 -11.463 -9.440
223 HZ1 LYS 8 HZ1 LYS 8 -5.593 -11.013 -7.355
224 HZ2 LYS 8 HZ2 LYS 8 -7.071 -11.398 -8.100
225 HZ3 LYS 8 HZ3 LYS 8 -6.634 -9.773 -7.860
226 H ALA 9 HN ALA 9 -2.770 -4.998 -7.797
227 HA ALA 9 HA ALA 9 -0.910 -3.913 -9.587
228 HB1 ALA 9 HB1 ALA 9 -2.321 -2.634 -7.235
229 HB2 ALA 9 HB2 ALA 9 -2.864 -2.653 -8.912
230 HB3 ALA 9 HB3 ALA 9 -1.423 -1.741 -8.462
231 H PHE 10 HN PHE 10 -0.779 -4.174 -6.039
232 HA PHE 10 HA PHE 10 1.671 -2.881 -5.633
233 HB2 PHE 10 HB2 PHE 10 0.116 -3.501 -3.824
234 HB3 PHE 10 HB1 PHE 10 0.482 -5.203 -4.096
235 HD1 PHE 10 HD1 PHE 10 1.982 -1.937 -3.121
236 HD2 PHE 10 HD2 PHE 10 2.424 -6.209 -3.174
237 HE1 PHE 10 HE1 PHE 10 3.948 -1.753 -1.620
238 HE2 PHE 10 HE2 PHE 10 4.390 -6.025 -1.675
239 HZ PHE 10 HZ PHE 10 5.151 -3.797 -0.897
240 H GLU 11 HN GLU 11 0.976 -6.328 -6.202
241 HA GLU 11 HA GLU 11 3.599 -7.291 -6.014
242 HB2 GLU 11 HB2 GLU 11 1.232 -8.251 -7.630
243 HB3 GLU 11 HB1 GLU 11 2.752 -9.140 -7.525
244 HG2 GLU 11 HG2 GLU 11 2.540 -9.339 -5.120
245 HG3 GLU 11 HG1 GLU 11 1.124 -8.289 -5.116
246 H SER 12 HN SER 12 1.795 -6.125 -8.854
247 HA SER 12 HA SER 12 3.783 -6.576 -10.777
248 HB2 SER 12 HB2 SER 12 2.618 -4.920 -12.146
249 HB3 SER 12 HB1 SER 12 1.451 -5.960 -11.336
250 HG SER 12 HG SER 12 2.176 -3.292 -10.791
251 H LEU 13 HN LEU 13 3.138 -3.706 -8.774
252 HA LEU 13 HA LEU 13 5.157 -2.054 -9.790
253 HB2 LEU 13 HB2 LEU 13 3.427 -1.206 -8.297
254 HB3 LEU 13 HB1 LEU 13 4.035 -2.212 -6.982
255 HG LEU 13 HG LEU 13 6.208 -1.010 -7.096
256 HD11 LEU 13 HD11 LEU 13 4.740 0.548 -9.237
257 HD12 LEU 13 HD12 LEU 13 6.275 -0.308 -9.387
258 HD13 LEU 13 HD13 LEU 13 6.177 1.166 -8.423
259 HD21 LEU 13 HD21 LEU 13 3.959 0.999 -6.879
260 HD22 LEU 13 HD22 LEU 13 5.459 0.935 -5.955
261 HD23 LEU 13 HD23 LEU 13 4.198 -0.264 -5.670
262 H LYS 14 HN LYS 14 5.242 -4.355 -7.077
263 HA LYS 14 HA LYS 14 7.884 -3.900 -6.273
264 HB2 LYS 14 HB2 LYS 14 6.076 -6.300 -6.085
265 HB3 LYS 14 HB1 LYS 14 7.734 -6.357 -5.486
266 HG2 LYS 14 HG2 LYS 14 5.772 -4.201 -4.667
267 HG3 LYS 14 HG1 LYS 14 5.977 -5.702 -3.763
268 HD2 LYS 14 HD2 LYS 14 8.411 -5.196 -3.543
269 HD3 LYS 14 HD1 LYS 14 8.134 -3.650 -4.344
270 HE2 LYS 14 HE2 LYS 14 6.556 -3.004 -2.565
271 HE3 LYS 14 HE1 LYS 14 6.834 -4.548 -1.758
272 HZ1 LYS 14 HZ1 LYS 14 8.225 -2.933 -0.745
273 HZ2 LYS 14 HZ2 LYS 14 8.810 -2.390 -2.245
274 HZ3 LYS 14 HZ3 LYS 14 9.227 -3.936 -1.676
275 H SER 15 HN SER 15 6.590 -6.229 -8.626
276 HA SER 15 HA SER 15 9.003 -7.484 -9.299
277 HB2 SER 15 HB2 SER 15 6.816 -8.334 -10.029
278 HB3 SER 15 HB1 SER 15 6.600 -6.921 -11.059
279 HG SER 15 HG SER 15 8.799 -8.706 -11.249
280 H PHE 16 HN PHE 16 7.415 -4.634 -10.722
281 HA PHE 16 HA PHE 16 9.276 -4.108 -12.744
282 HB2 PHE 16 HB2 PHE 16 7.098 -2.976 -12.590
283 HB3 PHE 16 HB1 PHE 16 7.637 -2.131 -11.139
284 HD1 PHE 16 HD1 PHE 16 8.170 -2.515 -14.784
285 HD2 PHE 16 HD2 PHE 16 9.157 -0.265 -11.261
286 HE1 PHE 16 HE1 PHE 16 9.226 -0.771 -16.194
287 HE2 PHE 16 HE2 PHE 16 10.214 1.480 -12.672
288 HZ PHE 16 HZ PHE 16 10.248 1.227 -15.139
289 H GLN 17 HN GLN 17 9.157 -2.927 -9.390
290 HA GLN 17 HA GLN 17 11.413 -1.272 -9.473
291 HB2 GLN 17 HB2 GLN 17 9.647 -1.611 -7.596
292 HB3 GLN 17 HB1 GLN 17 10.724 -2.892 -7.037
293 HG2 GLN 17 HG2 GLN 17 11.812 -0.158 -7.669
294 HG3 GLN 17 HG1 GLN 17 11.067 -0.481 -6.105
295 HE21 GLN 17 HE21 GLN 17 13.960 0.058 -6.695
296 HE22 GLN 17 HE22 GLN 17 14.799 -1.299 -6.115
297 H1 ALA 1 HT1 ALA 1 -0.674 12.720 2.615
298 H2 ALA 1 HT2 ALA 1 0.465 11.915 1.645
299 H3 ALA 1 HT3 ALA 1 0.902 13.331 2.475
300 HA ALA 1 HA ALA 1 0.509 12.175 4.602
301 HB1 ALA 1 HB1 ALA 1 -1.056 10.489 3.628
302 HB2 ALA 1 HB2 ALA 1 0.247 9.749 4.558
303 HB3 ALA 1 HB3 ALA 1 0.310 9.746 2.796
304 H THR 2 HN THR 2 2.387 11.478 5.623
305 HA THR 2 HA THR 2 4.835 11.942 4.341
306 HB THR 2 HB THR 2 5.706 10.550 6.397
307 HG1 THR 2 HG1 THR 2 4.023 10.647 8.038
308 HG21 THR 2 HG21 THR 2 5.548 12.526 7.747
309 HG22 THR 2 HG22 THR 2 4.100 13.064 6.897
310 HG23 THR 2 HG23 THR 2 5.658 13.066 6.072
311 H LEU 3 HN LEU 3 5.694 10.782 2.743
312 HA LEU 3 HA LEU 3 4.956 8.181 2.010
313 HB2 LEU 3 HB2 LEU 3 7.487 9.747 1.462
314 HB3 LEU 3 HB1 LEU 3 7.101 8.208 0.692
315 HG LEU 3 HG LEU 3 5.272 10.620 0.607
316 HD11 LEU 3 HD11 LEU 3 7.523 10.955 -0.526
317 HD12 LEU 3 HD12 LEU 3 6.123 11.087 -1.591
318 HD13 LEU 3 HD13 LEU 3 7.096 9.616 -1.592
319 HD21 LEU 3 HD21 LEU 3 5.347 7.936 -0.792
320 HD22 LEU 3 HD22 LEU 3 4.380 9.285 -1.385
321 HD23 LEU 3 HD23 LEU 3 4.053 8.600 0.205
322 H GLU 4 HN GLU 4 7.751 9.312 3.900
323 HA GLU 4 HA GLU 4 8.970 6.825 4.301
324 HB2 GLU 4 HB2 GLU 4 10.024 7.880 6.289
325 HB3 GLU 4 HB1 GLU 4 10.123 8.890 4.848
326 HG2 GLU 4 HG2 GLU 4 8.010 10.053 5.666
327 HG3 GLU 4 HG1 GLU 4 8.232 9.196 7.190
328 H LYS 5 HN LYS 5 6.544 8.517 6.279
329 HA LYS 5 HA LYS 5 6.362 6.638 8.343
330 HB2 LYS 5 HB2 LYS 5 5.319 8.941 8.296
331 HB3 LYS 5 HB1 LYS 5 4.045 8.256 7.285
332 HG2 LYS 5 HG2 LYS 5 3.211 6.921 8.989
333 HG3 LYS 5 HG1 LYS 5 4.759 6.854 9.833
334 HD2 LYS 5 HD2 LYS 5 4.482 9.319 10.337
335 HD3 LYS 5 HD1 LYS 5 2.839 9.192 9.706
336 HE2 LYS 5 HE2 LYS 5 3.916 7.442 11.932
337 HE3 LYS 5 HE1 LYS 5 3.009 8.927 12.213
338 HZ1 LYS 5 HZ1 LYS 5 1.327 7.823 10.598
339 HZ2 LYS 5 HZ2 LYS 5 1.356 7.359 12.232
340 HZ3 LYS 5 HZ3 LYS 5 2.099 6.384 11.056
341 H LEU 6 HN LEU 6 4.526 6.866 5.305
342 HA LEU 6 HA LEU 6 2.825 4.680 5.715
343 HB2 LEU 6 HB2 LEU 6 2.487 6.263 3.886
344 HB3 LEU 6 HB1 LEU 6 3.987 5.732 3.126
345 HG LEU 6 HG LEU 6 2.095 3.558 3.772
346 HD11 LEU 6 HD11 LEU 6 0.467 5.224 3.075
347 HD12 LEU 6 HD12 LEU 6 0.694 4.077 1.755
348 HD13 LEU 6 HD13 LEU 6 1.459 5.665 1.685
349 HD21 LEU 6 HD21 LEU 6 4.068 3.044 2.511
350 HD22 LEU 6 HD22 LEU 6 3.798 4.398 1.413
351 HD23 LEU 6 HD23 LEU 6 2.732 2.994 1.361
352 H MET 7 HN MET 7 6.030 4.818 4.181
353 HA MET 7 HA MET 7 6.231 2.123 3.451
354 HB2 MET 7 HB2 MET 7 7.801 3.913 2.735
355 HB3 MET 7 HB1 MET 7 8.475 3.938 4.364
356 HG2 MET 7 HG2 MET 7 9.903 2.512 3.069
357 HG3 MET 7 HG1 MET 7 8.931 1.447 4.083
358 HE1 MET 7 HE1 MET 7 7.327 -0.881 1.876
359 HE2 MET 7 HE2 MET 7 7.410 -0.145 3.474
360 HE3 MET 7 HE3 MET 7 8.871 -0.795 2.734
361 H LYS 8 HN LYS 8 7.227 3.751 6.455
362 HA LYS 8 HA LYS 8 8.334 1.532 7.755
363 HB2 LYS 8 HB2 LYS 8 6.936 3.981 8.842
364 HB3 LYS 8 HB1 LYS 8 7.741 2.792 9.867
365 HG2 LYS 8 HG2 LYS 8 9.853 3.166 8.646
366 HG3 LYS 8 HG1 LYS 8 9.051 4.359 7.625
367 HD2 LYS 8 HD2 LYS 8 8.572 5.752 9.584
368 HD3 LYS 8 HD1 LYS 8 9.307 4.546 10.641
369 HE2 LYS 8 HE2 LYS 8 10.913 6.341 10.184
370 HE3 LYS 8 HE1 LYS 8 11.463 4.839 9.440
371 HZ1 LYS 8 HZ1 LYS 8 11.013 5.593 7.355
372 HZ2 LYS 8 HZ2 LYS 8 11.398 7.071 8.100
373 HZ3 LYS 8 HZ3 LYS 8 9.773 6.634 7.860
374 H ALA 9 HN ALA 9 4.998 2.770 7.797
375 HA ALA 9 HA ALA 9 3.913 0.910 9.587
376 HB1 ALA 9 HB1 ALA 9 2.616 2.292 7.226
377 HB2 ALA 9 HB2 ALA 9 2.670 2.881 8.888
378 HB3 ALA 9 HB3 ALA 9 1.742 1.434 8.495
379 H PHE 10 HN PHE 10 4.174 0.779 6.039
380 HA PHE 10 HA PHE 10 2.881 -1.671 5.633
381 HB2 PHE 10 HB2 PHE 10 3.501 -0.116 3.824
382 HB3 PHE 10 HB1 PHE 10 5.203 -0.482 4.096
383 HD1 PHE 10 HD1 PHE 10 1.937 -1.982 3.121
384 HD2 PHE 10 HD2 PHE 10 6.209 -2.424 3.174
385 HE1 PHE 10 HE1 PHE 10 1.753 -3.948 1.620
386 HE2 PHE 10 HE2 PHE 10 6.025 -4.390 1.675
387 HZ PHE 10 HZ PHE 10 3.797 -5.151 0.897
388 H GLU 11 HN GLU 11 6.328 -0.976 6.202
389 HA GLU 11 HA GLU 11 7.291 -3.599 6.014
390 HB2 GLU 11 HB2 GLU 11 8.251 -1.232 7.630
391 HB3 GLU 11 HB1 GLU 11 9.140 -2.752 7.525
392 HG2 GLU 11 HG2 GLU 11 9.339 -2.540 5.120
393 HG3 GLU 11 HG1 GLU 11 8.289 -1.124 5.116
394 H SER 12 HN SER 12 6.125 -1.795 8.854
395 HA SER 12 HA SER 12 6.574 -3.775 10.786
396 HB2 SER 12 HB2 SER 12 5.954 -1.469 11.365
397 HB3 SER 12 HB1 SER 12 4.357 -1.713 10.662
398 HG SER 12 HG SER 12 4.637 -2.032 13.030
399 H LEU 13 HN LEU 13 3.706 -3.138 8.774
400 HA LEU 13 HA LEU 13 2.051 -5.156 9.789
401 HB2 LEU 13 HB2 LEU 13 1.204 -3.429 8.295
402 HB3 LEU 13 HB1 LEU 13 2.223 -4.025 6.985
403 HG LEU 13 HG LEU 13 1.028 -6.201 7.071
404 HD11 LEU 13 HD11 LEU 13 -0.571 -4.761 9.202
405 HD12 LEU 13 HD12 LEU 13 0.327 -6.269 9.371
406 HD13 LEU 13 HD13 LEU 13 -1.138 -6.220 8.391
407 HD21 LEU 13 HD21 LEU 13 -0.987 -3.956 6.867
408 HD22 LEU 13 HD22 LEU 13 -0.920 -5.449 5.933
409 HD23 LEU 13 HD23 LEU 13 0.277 -4.185 5.659
410 H LYS 14 HN LYS 14 4.355 -5.242 7.077
411 HA LYS 14 HA LYS 14 3.900 -7.884 6.273
412 HB2 LYS 14 HB2 LYS 14 6.300 -6.076 6.085
413 HB3 LYS 14 HB1 LYS 14 6.357 -7.734 5.486
414 HG2 LYS 14 HG2 LYS 14 4.201 -5.772 4.667
415 HG3 LYS 14 HG1 LYS 14 5.702 -5.977 3.763
416 HD2 LYS 14 HD2 LYS 14 5.196 -8.411 3.543
417 HD3 LYS 14 HD1 LYS 14 3.650 -8.134 4.344
418 HE2 LYS 14 HE2 LYS 14 3.004 -6.556 2.565
419 HE3 LYS 14 HE1 LYS 14 4.548 -6.834 1.758
420 HZ1 LYS 14 HZ1 LYS 14 2.933 -8.225 0.745
421 HZ2 LYS 14 HZ2 LYS 14 2.390 -8.810 2.245
422 HZ3 LYS 14 HZ3 LYS 14 3.936 -9.227 1.676
423 H SER 15 HN SER 15 6.229 -6.590 8.626
424 HA SER 15 HA SER 15 7.484 -9.003 9.299
425 HB2 SER 15 HB2 SER 15 8.334 -6.817 10.029
426 HB3 SER 15 HB1 SER 15 6.921 -6.600 11.058
427 HG SER 15 HG SER 15 9.163 -7.761 11.695
428 H PHE 16 HN PHE 16 4.634 -7.415 10.722
429 HA PHE 16 HA PHE 16 4.113 -9.280 12.741
430 HB2 PHE 16 HB2 PHE 16 2.402 -7.346 11.212
431 HB3 PHE 16 HB1 PHE 16 1.656 -8.485 12.333
432 HD1 PHE 16 HD1 PHE 16 3.146 -5.299 12.047
433 HD2 PHE 16 HD2 PHE 16 2.868 -8.669 14.695
434 HE1 PHE 16 HE1 PHE 16 3.803 -3.856 13.954
435 HE2 PHE 16 HE2 PHE 16 3.523 -7.226 16.602
436 HZ PHE 16 HZ PHE 16 3.991 -4.819 16.231
437 H GLN 17 HN GLN 17 2.927 -9.157 9.390
438 HA GLN 17 HA GLN 17 1.272 -11.413 9.473
439 HB2 GLN 17 HB2 GLN 17 1.611 -9.647 7.596
440 HB3 GLN 17 HB1 GLN 17 2.892 -10.724 7.037
441 HG2 GLN 17 HG2 GLN 17 0.158 -11.812 7.669
442 HG3 GLN 17 HG1 GLN 17 0.481 -11.067 6.105
443 HE21 GLN 17 HE21 GLN 17 -0.057 -13.960 6.695
444 HE22 GLN 17 HE22 GLN 17 1.299 -14.799 6.115
445 H1 ALA 1 HT1 ALA 1 0.674 -12.720 2.615
446 H2 ALA 1 HT2 ALA 1 -0.465 -11.915 1.645
447 H3 ALA 1 HT3 ALA 1 -0.902 -13.331 2.475
448 HA ALA 1 HA ALA 1 -0.510 -12.175 4.602
449 HB1 ALA 1 HB1 ALA 1 1.056 -10.489 3.628
450 HB2 ALA 1 HB2 ALA 1 -0.247 -9.749 4.558
451 HB3 ALA 1 HB3 ALA 1 -0.309 -9.746 2.796
452 H THR 2 HN THR 2 -2.387 -11.478 5.623
453 HA THR 2 HA THR 2 -4.835 -11.942 4.340
454 HB THR 2 HB THR 2 -5.701 -10.547 6.400
455 HG1 THR 2 HG1 THR 2 -4.026 -10.650 8.040
456 HG21 THR 2 HG21 THR 2 -5.559 -12.529 7.741
457 HG22 THR 2 HG22 THR 2 -4.112 -13.073 6.893
458 HG23 THR 2 HG23 THR 2 -5.668 -13.063 6.064
459 H LEU 3 HN LEU 3 -5.694 -10.782 2.743
460 HA LEU 3 HA LEU 3 -4.956 -8.181 2.010
461 HB2 LEU 3 HB2 LEU 3 -7.487 -9.747 1.462
462 HB3 LEU 3 HB1 LEU 3 -7.101 -8.208 0.692
463 HG LEU 3 HG LEU 3 -5.272 -10.620 0.607
464 HD11 LEU 3 HD11 LEU 3 -7.523 -10.955 -0.526
465 HD12 LEU 3 HD12 LEU 3 -6.123 -11.087 -1.591
466 HD13 LEU 3 HD13 LEU 3 -7.096 -9.616 -1.592
467 HD21 LEU 3 HD21 LEU 3 -5.347 -7.936 -0.792
468 HD22 LEU 3 HD22 LEU 3 -4.380 -9.285 -1.385
469 HD23 LEU 3 HD23 LEU 3 -4.053 -8.600 0.205
470 H GLU 4 HN GLU 4 -7.751 -9.312 3.900
471 HA GLU 4 HA GLU 4 -8.970 -6.825 4.301
472 HB2 GLU 4 HB2 GLU 4 -10.024 -7.880 6.289
473 HB3 GLU 4 HB1 GLU 4 -10.123 -8.890 4.848
474 HG2 GLU 4 HG2 GLU 4 -8.010 -10.053 5.666
475 HG3 GLU 4 HG1 GLU 4 -8.232 -9.196 7.190
476 H LYS 5 HN LYS 5 -6.544 -8.517 6.279
477 HA LYS 5 HA LYS 5 -6.356 -6.644 8.348
478 HB2 LYS 5 HB2 LYS 5 -5.317 -8.937 8.304
479 HB3 LYS 5 HB1 LYS 5 -4.070 -8.281 7.243
480 HG2 LYS 5 HG2 LYS 5 -3.408 -6.665 8.939
481 HG3 LYS 5 HG1 LYS 5 -4.728 -7.179 9.990
482 HD2 LYS 5 HD2 LYS 5 -3.721 -9.498 9.971
483 HD3 LYS 5 HD1 LYS 5 -2.326 -8.815 9.136
484 HE2 LYS 5 HE2 LYS 5 -3.356 -7.861 11.824
485 HE3 LYS 5 HE1 LYS 5 -1.992 -8.957 11.607
486 HZ1 LYS 5 HZ1 LYS 5 -0.735 -7.313 10.583
487 HZ2 LYS 5 HZ2 LYS 5 -1.504 -6.484 11.850
488 HZ3 LYS 5 HZ3 LYS 5 -2.078 -6.331 10.260
489 H LEU 6 HN LEU 6 -4.526 -6.866 5.305
490 HA LEU 6 HA LEU 6 -2.825 -4.680 5.714
491 HB2 LEU 6 HB2 LEU 6 -2.488 -6.263 3.886
492 HB3 LEU 6 HB1 LEU 6 -3.988 -5.732 3.126
493 HG LEU 6 HG LEU 6 -2.095 -3.558 3.771
494 HD11 LEU 6 HD11 LEU 6 -0.468 -5.225 3.075
495 HD12 LEU 6 HD12 LEU 6 -0.695 -4.078 1.754
496 HD13 LEU 6 HD13 LEU 6 -1.460 -5.666 1.685
497 HD21 LEU 6 HD21 LEU 6 -4.068 -3.045 2.511
498 HD22 LEU 6 HD22 LEU 6 -3.798 -4.398 1.413
499 HD23 LEU 6 HD23 LEU 6 -2.732 -2.994 1.360
500 H MET 7 HN MET 7 -6.030 -4.818 4.181
501 HA MET 7 HA MET 7 -6.231 -2.123 3.451
502 HB2 MET 7 HB2 MET 7 -7.801 -3.913 2.735
503 HB3 MET 7 HB1 MET 7 -8.475 -3.938 4.364
504 HG2 MET 7 HG2 MET 7 -9.903 -2.512 3.069
505 HG3 MET 7 HG1 MET 7 -8.931 -1.447 4.083
506 HE1 MET 7 HE1 MET 7 -7.327 0.881 1.876
507 HE2 MET 7 HE2 MET 7 -7.410 0.145 3.474
508 HE3 MET 7 HE3 MET 7 -8.871 0.795 2.734
509 H LYS 8 HN LYS 8 -7.227 -3.751 6.455
510 HA LYS 8 HA LYS 8 -8.334 -1.532 7.755
511 HB2 LYS 8 HB2 LYS 8 -6.936 -3.981 8.842
512 HB3 LYS 8 HB1 LYS 8 -7.741 -2.792 9.867
513 HG2 LYS 8 HG2 LYS 8 -9.853 -3.166 8.646
514 HG3 LYS 8 HG1 LYS 8 -9.051 -4.359 7.625
515 HD2 LYS 8 HD2 LYS 8 -8.572 -5.752 9.584
516 HD3 LYS 8 HD1 LYS 8 -9.307 -4.546 10.641
517 HE2 LYS 8 HE2 LYS 8 -10.913 -6.341 10.184
518 HE3 LYS 8 HE1 LYS 8 -11.463 -4.839 9.440
519 HZ1 LYS 8 HZ1 LYS 8 -11.013 -5.593 7.355
520 HZ2 LYS 8 HZ2 LYS 8 -11.398 -7.071 8.100
521 HZ3 LYS 8 HZ3 LYS 8 -9.773 -6.634 7.860
522 H ALA 9 HN ALA 9 -4.998 -2.770 7.797
523 HA ALA 9 HA ALA 9 -3.913 -0.910 9.587
524 HB1 ALA 9 HB1 ALA 9 -2.634 -2.321 7.235
525 HB2 ALA 9 HB2 ALA 9 -2.653 -2.864 8.912
526 HB3 ALA 9 HB3 ALA 9 -1.741 -1.423 8.462
527 H PHE 10 HN PHE 10 -4.174 -0.779 6.039
528 HA PHE 10 HA PHE 10 -2.881 1.671 5.633
529 HB2 PHE 10 HB2 PHE 10 -3.501 0.116 3.824
530 HB3 PHE 10 HB1 PHE 10 -5.203 0.482 4.096
531 HD1 PHE 10 HD1 PHE 10 -1.937 1.982 3.121
532 HD2 PHE 10 HD2 PHE 10 -6.209 2.424 3.174
533 HE1 PHE 10 HE1 PHE 10 -1.753 3.948 1.620
534 HE2 PHE 10 HE2 PHE 10 -6.025 4.390 1.675
535 HZ PHE 10 HZ PHE 10 -3.797 5.151 0.897
536 H GLU 11 HN GLU 11 -6.328 0.976 6.202
537 HA GLU 11 HA GLU 11 -7.291 3.599 6.014
538 HB2 GLU 11 HB2 GLU 11 -8.251 1.232 7.630
539 HB3 GLU 11 HB1 GLU 11 -9.140 2.752 7.525
540 HG2 GLU 11 HG2 GLU 11 -9.339 2.540 5.120
541 HG3 GLU 11 HG1 GLU 11 -8.289 1.124 5.116
542 H SER 12 HN SER 12 -6.125 1.795 8.854
543 HA SER 12 HA SER 12 -6.577 3.785 10.774
544 HB2 SER 12 HB2 SER 12 -4.924 2.623 12.148
545 HB3 SER 12 HB1 SER 12 -5.966 1.455 11.341
546 HG SER 12 HG SER 12 -3.308 1.750 11.190
547 H LEU 13 HN LEU 13 -3.706 3.138 8.774
548 HA LEU 13 HA LEU 13 -2.053 5.157 9.790
549 HB2 LEU 13 HB2 LEU 13 -1.207 3.428 8.295
550 HB3 LEU 13 HB1 LEU 13 -2.213 4.038 6.982
551 HG LEU 13 HG LEU 13 -1.011 6.211 7.097
552 HD11 LEU 13 HD11 LEU 13 0.545 4.742 9.238
553 HD12 LEU 13 HD12 LEU 13 -0.312 6.275 9.389
554 HD13 LEU 13 HD13 LEU 13 1.163 6.181 8.427
555 HD21 LEU 13 HD21 LEU 13 0.995 3.959 6.879
556 HD22 LEU 13 HD22 LEU 13 0.940 5.464 5.961
557 HD23 LEU 13 HD23 LEU 13 -0.263 4.208 5.667
558 H LYS 14 HN LYS 14 -4.355 5.242 7.077
559 HA LYS 14 HA LYS 14 -3.900 7.884 6.273
560 HB2 LYS 14 HB2 LYS 14 -6.300 6.076 6.085
561 HB3 LYS 14 HB1 LYS 14 -6.357 7.734 5.486
562 HG2 LYS 14 HG2 LYS 14 -4.201 5.772 4.667
563 HG3 LYS 14 HG1 LYS 14 -5.702 5.977 3.763
564 HD2 LYS 14 HD2 LYS 14 -5.196 8.411 3.543
565 HD3 LYS 14 HD1 LYS 14 -3.650 8.134 4.344
566 HE2 LYS 14 HE2 LYS 14 -3.004 6.556 2.565
567 HE3 LYS 14 HE1 LYS 14 -4.548 6.834 1.758
568 HZ1 LYS 14 HZ1 LYS 14 -2.933 8.225 0.745
569 HZ2 LYS 14 HZ2 LYS 14 -2.390 8.810 2.245
570 HZ3 LYS 14 HZ3 LYS 14 -3.936 9.227 1.676
571 H SER 15 HN SER 15 -6.229 6.590 8.626
572 HA SER 15 HA SER 15 -7.484 9.003 9.299
573 HB2 SER 15 HB2 SER 15 -8.334 6.817 10.029
574 HB3 SER 15 HB1 SER 15 -6.921 6.600 11.058
575 HG SER 15 HG SER 15 -7.657 8.106 12.407
576 H PHE 16 HN PHE 16 -4.634 7.415 10.722
577 HA PHE 16 HA PHE 16 -4.110 9.278 12.743
578 HB2 PHE 16 HB2 PHE 16 -2.946 7.142 12.664
579 HB3 PHE 16 HB1 PHE 16 -2.165 7.593 11.147
580 HD1 PHE 16 HD1 PHE 16 -2.431 8.423 14.759
581 HD2 PHE 16 HD2 PHE 16 -0.257 9.046 11.106
582 HE1 PHE 16 HE1 PHE 16 -0.638 9.578 16.023
583 HE2 PHE 16 HE2 PHE 16 1.537 10.200 12.371
584 HZ PHE 16 HZ PHE 16 1.346 10.466 14.830
585 H GLN 17 HN GLN 17 -2.927 9.157 9.390
586 HA GLN 17 HA GLN 17 -1.272 11.413 9.472
587 HB2 GLN 17 HB2 GLN 17 -1.612 9.647 7.596
588 HB3 GLN 17 HB1 GLN 17 -2.893 10.724 7.037
589 HG2 GLN 17 HG2 GLN 17 -0.158 11.811 7.668
590 HG3 GLN 17 HG1 GLN 17 -0.482 11.066 6.105
591 HE21 GLN 17 HE21 GLN 17 0.057 13.959 6.695
592 HE22 GLN 17 HE22 GLN 17 -1.300 14.798 6.115
Start of MODEL 4
1 H1 ALA 1 HT1 ALA 1 13.162 1.558 -6.074
2 H2 ALA 1 HT2 ALA 1 13.712 0.368 -4.993
3 H3 ALA 1 HT3 ALA 1 13.861 2.014 -4.598
4 HA ALA 1 HA ALA 1 11.375 0.410 -4.781
5 HB1 ALA 1 HB1 ALA 1 12.313 0.148 -2.635
6 HB2 ALA 1 HB2 ALA 1 11.181 1.484 -2.421
7 HB3 ALA 1 HB3 ALA 1 12.906 1.808 -2.593
8 H THR 2 HN THR 2 12.816 3.642 -4.563
9 HA THR 2 HA THR 2 11.903 5.743 -4.818
10 HB THR 2 HB THR 2 10.271 5.826 -6.813
11 HG1 THR 2 HG1 THR 2 10.160 3.938 -7.991
12 HG21 THR 2 HG21 THR 2 12.095 5.550 -8.381
13 HG22 THR 2 HG22 THR 2 12.969 4.522 -7.246
14 HG23 THR 2 HG23 THR 2 12.746 6.235 -6.892
15 H LEU 3 HN LEU 3 10.861 5.979 -2.822
16 HA LEU 3 HA LEU 3 8.363 4.931 -2.117
17 HB2 LEU 3 HB2 LEU 3 9.757 7.480 -1.278
18 HB3 LEU 3 HB1 LEU 3 8.267 6.899 -0.535
19 HG LEU 3 HG LEU 3 10.787 5.231 -0.733
20 HD11 LEU 3 HD11 LEU 3 9.752 6.980 1.516
21 HD12 LEU 3 HD12 LEU 3 11.290 7.142 0.668
22 HD13 LEU 3 HD13 LEU 3 11.005 5.756 1.721
23 HD21 LEU 3 HD21 LEU 3 8.889 3.827 -0.430
24 HD22 LEU 3 HD22 LEU 3 8.129 4.963 0.684
25 HD23 LEU 3 HD23 LEU 3 9.547 4.046 1.190
26 H GLU 4 HN GLU 4 9.183 8.038 -3.645
27 HA GLU 4 HA GLU 4 6.596 9.094 -3.806
28 HB2 GLU 4 HB2 GLU 4 8.638 10.394 -4.267
29 HB3 GLU 4 HB1 GLU 4 8.896 9.459 -5.741
30 HG2 GLU 4 HG2 GLU 4 6.766 10.257 -6.650
31 HG3 GLU 4 HG1 GLU 4 6.445 11.146 -5.162
32 H LYS 5 HN LYS 5 8.391 7.095 -6.140
33 HA LYS 5 HA LYS 5 6.457 7.021 -8.161
34 HB2 LYS 5 HB2 LYS 5 8.750 6.205 -8.478
35 HB3 LYS 5 HB1 LYS 5 8.439 4.875 -7.363
36 HG2 LYS 5 HG2 LYS 5 8.191 4.078 -9.657
37 HG3 LYS 5 HG1 LYS 5 6.614 4.084 -8.869
38 HD2 LYS 5 HD2 LYS 5 5.973 6.116 -9.974
39 HD3 LYS 5 HD1 LYS 5 7.615 6.387 -10.560
40 HE2 LYS 5 HE2 LYS 5 6.294 5.499 -12.390
41 HE3 LYS 5 HE1 LYS 5 7.430 4.254 -11.873
42 HZ1 LYS 5 HZ1 LYS 5 5.431 3.628 -10.313
43 HZ2 LYS 5 HZ2 LYS 5 5.518 3.053 -11.909
44 HZ3 LYS 5 HZ3 LYS 5 4.527 4.381 -11.534
45 H LEU 6 HN LEU 6 6.951 4.830 -5.402
46 HA LEU 6 HA LEU 6 4.898 3.015 -5.974
47 HB2 LEU 6 HB2 LEU 6 6.580 2.588 -4.251
48 HB3 LEU 6 HB1 LEU 6 5.950 3.919 -3.281
49 HG LEU 6 HG LEU 6 3.765 2.758 -3.126
50 HD11 LEU 6 HD11 LEU 6 3.718 1.483 -5.153
51 HD12 LEU 6 HD12 LEU 6 3.772 0.309 -3.838
52 HD13 LEU 6 HD13 LEU 6 5.234 0.673 -4.756
53 HD21 LEU 6 HD21 LEU 6 4.489 0.995 -1.599
54 HD22 LEU 6 HD22 LEU 6 5.558 2.387 -1.422
55 HD23 LEU 6 HD23 LEU 6 6.091 0.976 -2.336
56 H MET 7 HN MET 7 4.835 5.991 -4.023
57 HA MET 7 HA MET 7 2.165 5.860 -3.194
58 HB2 MET 7 HB2 MET 7 3.798 7.469 -2.288
59 HB3 MET 7 HB1 MET 7 3.801 8.328 -3.828
60 HG2 MET 7 HG2 MET 7 2.283 9.463 -2.297
61 HG3 MET 7 HG1 MET 7 1.339 8.698 -3.574
62 HE1 MET 7 HE1 MET 7 0.006 9.670 -0.985
63 HE2 MET 7 HE2 MET 7 -1.049 8.311 -0.603
64 HE3 MET 7 HE3 MET 7 -0.833 8.805 -2.281
65 H LYS 8 HN LYS 8 3.583 7.383 -6.081
66 HA LYS 8 HA LYS 8 1.227 8.454 -7.147
67 HB2 LYS 8 HB2 LYS 8 3.786 7.511 -8.424
68 HB3 LYS 8 HB1 LYS 8 2.457 8.154 -9.388
69 HG2 LYS 8 HG2 LYS 8 2.488 10.218 -7.984
70 HG3 LYS 8 HG1 LYS 8 3.894 9.579 -7.131
71 HD2 LYS 8 HD2 LYS 8 5.227 9.608 -9.126
72 HD3 LYS 8 HD1 LYS 8 3.819 9.935 -10.136
73 HE2 LYS 8 HE2 LYS 8 5.063 12.006 -9.816
74 HE3 LYS 8 HE1 LYS 8 3.529 12.117 -8.953
75 HZ1 LYS 8 HZ1 LYS 8 5.037 12.839 -7.394
76 HZ2 LYS 8 HZ2 LYS 8 6.241 11.743 -7.878
77 HZ3 LYS 8 HZ3 LYS 8 4.900 11.197 -6.992
78 H ALA 9 HN ALA 9 2.732 5.275 -7.684
79 HA ALA 9 HA ALA 9 0.894 4.283 -9.549
80 HB1 ALA 9 HB1 ALA 9 1.886 2.220 -9.206
81 HB2 ALA 9 HB2 ALA 9 2.074 2.481 -7.472
82 HB3 ALA 9 HB3 ALA 9 3.145 3.299 -8.609
83 H PHE 10 HN PHE 10 0.888 4.057 -5.996
84 HA PHE 10 HA PHE 10 -1.432 2.517 -5.703
85 HB2 PHE 10 HB2 PHE 10 0.071 2.961 -3.834
86 HB3 PHE 10 HB1 PHE 10 -0.321 4.679 -3.898
87 HD1 PHE 10 HD1 PHE 10 -1.801 1.299 -3.351
88 HD2 PHE 10 HD2 PHE 10 -2.244 5.538 -2.811
89 HE1 PHE 10 HE1 PHE 10 -3.763 0.908 -1.887
90 HE2 PHE 10 HE2 PHE 10 -4.207 5.146 -1.347
91 HZ PHE 10 HZ PHE 10 -4.966 2.831 -0.885
92 H GLU 11 HN GLU 11 -1.042 6.055 -5.813
93 HA GLU 11 HA GLU 11 -3.723 6.758 -5.418
94 HB2 GLU 11 HB2 GLU 11 -1.518 8.122 -6.973
95 HB3 GLU 11 HB1 GLU 11 -3.094 8.857 -6.682
96 HG2 GLU 11 HG2 GLU 11 -1.176 7.897 -4.537
97 HG3 GLU 11 HG1 GLU 11 -1.451 9.579 -4.986
98 H SER 12 HN SER 12 -1.951 6.137 -8.441
99 HA SER 12 HA SER 12 -4.035 6.668 -10.236
100 HB2 SER 12 HB2 SER 12 -1.743 4.700 -10.440
101 HB3 SER 12 HB1 SER 12 -2.797 5.135 -11.782
102 HG SER 12 HG SER 12 -0.826 6.609 -10.479
103 H LEU 13 HN LEU 13 -3.087 3.622 -8.650
104 HA LEU 13 HA LEU 13 -5.003 1.946 -9.818
105 HB2 LEU 13 HB2 LEU 13 -3.713 1.882 -7.083
106 HB3 LEU 13 HB1 LEU 13 -4.698 0.571 -7.732
107 HG LEU 13 HG LEU 13 -2.301 1.685 -9.203
108 HD11 LEU 13 HD11 LEU 13 -2.494 -0.526 -7.150
109 HD12 LEU 13 HD12 LEU 13 -1.374 0.835 -7.183
110 HD13 LEU 13 HD13 LEU 13 -1.202 -0.475 -8.349
111 HD21 LEU 13 HD21 LEU 13 -3.867 0.442 -10.592
112 HD22 LEU 13 HD22 LEU 13 -3.932 -0.867 -9.412
113 HD23 LEU 13 HD23 LEU 13 -2.447 -0.565 -10.314
114 H LYS 14 HN LYS 14 -5.166 3.857 -6.820
115 HA LYS 14 HA LYS 14 -7.723 3.077 -5.995
116 HB2 LYS 14 HB2 LYS 14 -6.181 4.354 -4.570
117 HB3 LYS 14 HB1 LYS 14 -6.356 5.754 -5.628
118 HG2 LYS 14 HG2 LYS 14 -7.834 6.035 -3.718
119 HG3 LYS 14 HG1 LYS 14 -8.817 5.741 -5.151
120 HD2 LYS 14 HD2 LYS 14 -9.095 3.401 -4.539
121 HD3 LYS 14 HD1 LYS 14 -7.994 3.594 -3.174
122 HE2 LYS 14 HE2 LYS 14 -9.541 5.227 -2.157
123 HE3 LYS 14 HE1 LYS 14 -10.644 5.030 -3.519
124 HZ1 LYS 14 HZ1 LYS 14 -9.829 2.940 -1.576
125 HZ2 LYS 14 HZ2 LYS 14 -10.764 2.645 -2.963
126 HZ3 LYS 14 HZ3 LYS 14 -11.364 3.644 -1.726
127 H SER 15 HN SER 15 -6.724 5.797 -8.060
128 HA SER 15 HA SER 15 -9.256 6.921 -8.484
129 HB2 SER 15 HB2 SER 15 -7.177 8.043 -9.157
130 HB3 SER 15 HB1 SER 15 -6.890 6.803 -10.375
131 HG SER 15 HG SER 15 -8.202 7.840 -11.633
132 H PHE 16 HN PHE 16 -7.502 4.430 -10.326
133 HA PHE 16 HA PHE 16 -9.398 4.021 -12.345
134 HB2 PHE 16 HB2 PHE 16 -7.128 3.072 -12.412
135 HB3 PHE 16 HB1 PHE 16 -7.539 1.994 -11.078
136 HD1 PHE 16 HD1 PHE 16 -8.385 2.877 -14.591
137 HD2 PHE 16 HD2 PHE 16 -8.768 -0.018 -11.441
138 HE1 PHE 16 HE1 PHE 16 -9.349 1.255 -16.200
139 HE2 PHE 16 HE2 PHE 16 -9.732 -1.640 -13.050
140 HZ PHE 16 HZ PHE 16 -10.022 -1.004 -15.429
141 H GLN 17 HN GLN 17 -9.044 2.419 -9.188
142 HA GLN 17 HA GLN 17 -11.159 0.601 -9.425
143 HB2 GLN 17 HB2 GLN 17 -9.487 1.661 -7.293
144 HB3 GLN 17 HB1 GLN 17 -11.134 1.346 -6.744
145 HG2 GLN 17 HG2 GLN 17 -9.967 -0.707 -6.443
146 HG3 GLN 17 HG1 GLN 17 -10.930 -0.926 -7.903
147 HE21 GLN 17 HE21 GLN 17 -7.659 0.377 -7.063
148 HE22 GLN 17 HE22 GLN 17 -6.875 -0.375 -8.367
149 H1 ALA 1 HT1 ALA 1 -13.162 -1.558 -6.074
150 H2 ALA 1 HT2 ALA 1 -13.712 -0.368 -4.993
151 H3 ALA 1 HT3 ALA 1 -13.861 -2.014 -4.598
152 HA ALA 1 HA ALA 1 -11.375 -0.410 -4.781
153 HB1 ALA 1 HB1 ALA 1 -12.313 -0.148 -2.635
154 HB2 ALA 1 HB2 ALA 1 -11.181 -1.484 -2.421
155 HB3 ALA 1 HB3 ALA 1 -12.906 -1.808 -2.593
156 H THR 2 HN THR 2 -12.816 -3.642 -4.563
157 HA THR 2 HA THR 2 -11.903 -5.743 -4.818
158 HB THR 2 HB THR 2 -10.271 -5.826 -6.813
159 HG1 THR 2 HG1 THR 2 -10.160 -3.938 -7.991
160 HG21 THR 2 HG21 THR 2 -12.095 -5.550 -8.381
161 HG22 THR 2 HG22 THR 2 -12.969 -4.522 -7.246
162 HG23 THR 2 HG23 THR 2 -12.746 -6.235 -6.892
163 H LEU 3 HN LEU 3 -10.861 -5.979 -2.822
164 HA LEU 3 HA LEU 3 -8.363 -4.931 -2.117
165 HB2 LEU 3 HB2 LEU 3 -9.757 -7.480 -1.278
166 HB3 LEU 3 HB1 LEU 3 -8.267 -6.899 -0.535
167 HG LEU 3 HG LEU 3 -10.787 -5.231 -0.733
168 HD11 LEU 3 HD11 LEU 3 -9.752 -6.980 1.516
169 HD12 LEU 3 HD12 LEU 3 -11.290 -7.142 0.668
170 HD13 LEU 3 HD13 LEU 3 -11.005 -5.756 1.721
171 HD21 LEU 3 HD21 LEU 3 -8.889 -3.827 -0.430
172 HD22 LEU 3 HD22 LEU 3 -8.129 -4.963 0.684
173 HD23 LEU 3 HD23 LEU 3 -9.547 -4.046 1.190
174 H GLU 4 HN GLU 4 -9.183 -8.038 -3.645
175 HA GLU 4 HA GLU 4 -6.596 -9.094 -3.806
176 HB2 GLU 4 HB2 GLU 4 -8.638 -10.394 -4.267
177 HB3 GLU 4 HB1 GLU 4 -8.896 -9.459 -5.741
178 HG2 GLU 4 HG2 GLU 4 -6.766 -10.257 -6.650
179 HG3 GLU 4 HG1 GLU 4 -6.445 -11.146 -5.162
180 H LYS 5 HN LYS 5 -8.391 -7.095 -6.140
181 HA LYS 5 HA LYS 5 -6.457 -7.021 -8.161
182 HB2 LYS 5 HB2 LYS 5 -8.750 -6.205 -8.478
183 HB3 LYS 5 HB1 LYS 5 -8.439 -4.875 -7.363
184 HG2 LYS 5 HG2 LYS 5 -8.191 -4.078 -9.657
185 HG3 LYS 5 HG1 LYS 5 -6.614 -4.084 -8.869
186 HD2 LYS 5 HD2 LYS 5 -5.973 -6.116 -9.974
187 HD3 LYS 5 HD1 LYS 5 -7.615 -6.387 -10.560
188 HE2 LYS 5 HE2 LYS 5 -6.294 -5.499 -12.390
189 HE3 LYS 5 HE1 LYS 5 -7.430 -4.254 -11.873
190 HZ1 LYS 5 HZ1 LYS 5 -5.431 -3.628 -10.313
191 HZ2 LYS 5 HZ2 LYS 5 -5.518 -3.053 -11.909
192 HZ3 LYS 5 HZ3 LYS 5 -4.527 -4.381 -11.534
193 H LEU 6 HN LEU 6 -6.951 -4.830 -5.402
194 HA LEU 6 HA LEU 6 -4.898 -3.015 -5.974
195 HB2 LEU 6 HB2 LEU 6 -6.580 -2.588 -4.251
196 HB3 LEU 6 HB1 LEU 6 -5.950 -3.919 -3.281
197 HG LEU 6 HG LEU 6 -3.765 -2.758 -3.126
198 HD11 LEU 6 HD11 LEU 6 -3.718 -1.483 -5.153
199 HD12 LEU 6 HD12 LEU 6 -3.772 -0.309 -3.838
200 HD13 LEU 6 HD13 LEU 6 -5.234 -0.673 -4.756
201 HD21 LEU 6 HD21 LEU 6 -4.489 -0.995 -1.599
202 HD22 LEU 6 HD22 LEU 6 -5.558 -2.387 -1.422
203 HD23 LEU 6 HD23 LEU 6 -6.091 -0.976 -2.336
204 H MET 7 HN MET 7 -4.835 -5.991 -4.023
205 HA MET 7 HA MET 7 -2.165 -5.860 -3.194
206 HB2 MET 7 HB2 MET 7 -3.798 -7.469 -2.288
207 HB3 MET 7 HB1 MET 7 -3.801 -8.328 -3.828
208 HG2 MET 7 HG2 MET 7 -2.283 -9.463 -2.297
209 HG3 MET 7 HG1 MET 7 -1.339 -8.698 -3.574
210 HE1 MET 7 HE1 MET 7 -0.006 -9.670 -0.985
211 HE2 MET 7 HE2 MET 7 1.049 -8.311 -0.603
212 HE3 MET 7 HE3 MET 7 0.833 -8.805 -2.281
213 H LYS 8 HN LYS 8 -3.583 -7.383 -6.081
214 HA LYS 8 HA LYS 8 -1.227 -8.454 -7.147
215 HB2 LYS 8 HB2 LYS 8 -3.786 -7.511 -8.424
216 HB3 LYS 8 HB1 LYS 8 -2.457 -8.154 -9.388
217 HG2 LYS 8 HG2 LYS 8 -2.488 -10.218 -7.984
218 HG3 LYS 8 HG1 LYS 8 -3.894 -9.579 -7.131
219 HD2 LYS 8 HD2 LYS 8 -5.227 -9.608 -9.126
220 HD3 LYS 8 HD1 LYS 8 -3.819 -9.935 -10.136
221 HE2 LYS 8 HE2 LYS 8 -5.063 -12.006 -9.816
222 HE3 LYS 8 HE1 LYS 8 -3.529 -12.117 -8.953
223 HZ1 LYS 8 HZ1 LYS 8 -5.037 -12.839 -7.394
224 HZ2 LYS 8 HZ2 LYS 8 -6.241 -11.743 -7.878
225 HZ3 LYS 8 HZ3 LYS 8 -4.900 -11.197 -6.992
226 H ALA 9 HN ALA 9 -2.732 -5.275 -7.684
227 HA ALA 9 HA ALA 9 -0.894 -4.283 -9.549
228 HB1 ALA 9 HB1 ALA 9 -1.886 -2.220 -9.206
229 HB2 ALA 9 HB2 ALA 9 -2.074 -2.481 -7.472
230 HB3 ALA 9 HB3 ALA 9 -3.145 -3.299 -8.609
231 H PHE 10 HN PHE 10 -0.888 -4.057 -5.996
232 HA PHE 10 HA PHE 10 1.432 -2.517 -5.703
233 HB2 PHE 10 HB2 PHE 10 -0.071 -2.961 -3.834
234 HB3 PHE 10 HB1 PHE 10 0.321 -4.679 -3.898
235 HD1 PHE 10 HD1 PHE 10 1.801 -1.299 -3.351
236 HD2 PHE 10 HD2 PHE 10 2.244 -5.538 -2.811
237 HE1 PHE 10 HE1 PHE 10 3.763 -0.908 -1.887
238 HE2 PHE 10 HE2 PHE 10 4.207 -5.146 -1.347
239 HZ PHE 10 HZ PHE 10 4.966 -2.831 -0.885
240 H GLU 11 HN GLU 11 1.042 -6.055 -5.813
241 HA GLU 11 HA GLU 11 3.723 -6.758 -5.418
242 HB2 GLU 11 HB2 GLU 11 1.518 -8.122 -6.973
243 HB3 GLU 11 HB1 GLU 11 3.094 -8.857 -6.682
244 HG2 GLU 11 HG2 GLU 11 1.176 -7.897 -4.537
245 HG3 GLU 11 HG1 GLU 11 1.451 -9.579 -4.986
246 H SER 12 HN SER 12 1.951 -6.137 -8.441
247 HA SER 12 HA SER 12 4.035 -6.668 -10.235
248 HB2 SER 12 HB2 SER 12 1.715 -6.330 -10.965
249 HB3 SER 12 HB1 SER 12 1.796 -4.640 -10.476
250 HG SER 12 HG SER 12 3.562 -5.845 -12.343
251 H LEU 13 HN LEU 13 3.087 -3.622 -8.650
252 HA LEU 13 HA LEU 13 5.003 -1.946 -9.818
253 HB2 LEU 13 HB2 LEU 13 3.713 -1.882 -7.083
254 HB3 LEU 13 HB1 LEU 13 4.698 -0.571 -7.732
255 HG LEU 13 HG LEU 13 2.301 -1.685 -9.203
256 HD11 LEU 13 HD11 LEU 13 2.494 0.526 -7.150
257 HD12 LEU 13 HD12 LEU 13 1.374 -0.835 -7.183
258 HD13 LEU 13 HD13 LEU 13 1.202 0.475 -8.349
259 HD21 LEU 13 HD21 LEU 13 3.867 -0.442 -10.592
260 HD22 LEU 13 HD22 LEU 13 3.932 0.867 -9.412
261 HD23 LEU 13 HD23 LEU 13 2.447 0.565 -10.314
262 H LYS 14 HN LYS 14 5.166 -3.857 -6.820
263 HA LYS 14 HA LYS 14 7.723 -3.077 -5.995
264 HB2 LYS 14 HB2 LYS 14 6.181 -4.354 -4.570
265 HB3 LYS 14 HB1 LYS 14 6.356 -5.754 -5.628
266 HG2 LYS 14 HG2 LYS 14 7.834 -6.035 -3.718
267 HG3 LYS 14 HG1 LYS 14 8.817 -5.741 -5.151
268 HD2 LYS 14 HD2 LYS 14 9.095 -3.401 -4.539
269 HD3 LYS 14 HD1 LYS 14 7.994 -3.594 -3.174
270 HE2 LYS 14 HE2 LYS 14 9.541 -5.227 -2.157
271 HE3 LYS 14 HE1 LYS 14 10.644 -5.030 -3.519
272 HZ1 LYS 14 HZ1 LYS 14 9.829 -2.940 -1.576
273 HZ2 LYS 14 HZ2 LYS 14 10.764 -2.645 -2.963
274 HZ3 LYS 14 HZ3 LYS 14 11.364 -3.644 -1.726
275 H SER 15 HN SER 15 6.724 -5.797 -8.060
276 HA SER 15 HA SER 15 9.261 -6.909 -8.479
277 HB2 SER 15 HB2 SER 15 8.305 -7.958 -10.467
278 HB3 SER 15 HB1 SER 15 7.152 -8.026 -9.138
279 HG SER 15 HG SER 15 5.956 -6.485 -10.086
280 H PHE 16 HN PHE 16 7.502 -4.430 -10.326
281 HA PHE 16 HA PHE 16 9.398 -4.021 -12.345
282 HB2 PHE 16 HB2 PHE 16 7.163 -3.065 -12.475
283 HB3 PHE 16 HB1 PHE 16 7.486 -2.050 -11.070
284 HD1 PHE 16 HD1 PHE 16 8.600 -2.756 -14.560
285 HD2 PHE 16 HD2 PHE 16 8.589 0.035 -11.295
286 HE1 PHE 16 HE1 PHE 16 9.591 -1.027 -16.035
287 HE2 PHE 16 HE2 PHE 16 9.580 1.764 -12.770
288 HZ PHE 16 HZ PHE 16 10.081 1.234 -15.140
289 H GLN 17 HN GLN 17 9.044 -2.419 -9.188
290 HA GLN 17 HA GLN 17 11.159 -0.601 -9.426
291 HB2 GLN 17 HB2 GLN 17 9.494 -1.670 -7.287
292 HB3 GLN 17 HB1 GLN 17 11.139 -1.335 -6.746
293 HG2 GLN 17 HG2 GLN 17 9.977 0.712 -6.447
294 HG3 GLN 17 HG1 GLN 17 10.896 0.927 -7.936
295 HE21 GLN 17 HE21 GLN 17 7.665 -0.409 -6.997
296 HE22 GLN 17 HE22 GLN 17 6.836 0.325 -8.283
297 H1 ALA 1 HT1 ALA 1 1.558 13.162 6.074
298 H2 ALA 1 HT2 ALA 1 0.368 13.712 4.993
299 H3 ALA 1 HT3 ALA 1 2.014 13.861 4.598
300 HA ALA 1 HA ALA 1 0.410 11.376 4.780
301 HB1 ALA 1 HB1 ALA 1 0.149 12.314 2.635
302 HB2 ALA 1 HB2 ALA 1 1.485 11.182 2.421
303 HB3 ALA 1 HB3 ALA 1 1.810 12.907 2.594
304 H THR 2 HN THR 2 3.642 12.816 4.563
305 HA THR 2 HA THR 2 5.743 11.903 4.818
306 HB THR 2 HB THR 2 5.826 10.270 6.813
307 HG1 THR 2 HG1 THR 2 3.860 10.398 8.047
308 HG21 THR 2 HG21 THR 2 5.550 12.093 8.382
309 HG22 THR 2 HG22 THR 2 4.522 12.969 7.248
310 HG23 THR 2 HG23 THR 2 6.235 12.745 6.894
311 H LEU 3 HN LEU 3 5.979 10.861 2.822
312 HA LEU 3 HA LEU 3 4.931 8.363 2.117
313 HB2 LEU 3 HB2 LEU 3 7.480 9.757 1.278
314 HB3 LEU 3 HB1 LEU 3 6.899 8.267 0.535
315 HG LEU 3 HG LEU 3 5.231 10.787 0.733
316 HD11 LEU 3 HD11 LEU 3 6.980 9.752 -1.516
317 HD12 LEU 3 HD12 LEU 3 7.142 11.290 -0.668
318 HD13 LEU 3 HD13 LEU 3 5.756 11.005 -1.721
319 HD21 LEU 3 HD21 LEU 3 3.827 8.889 0.430
320 HD22 LEU 3 HD22 LEU 3 4.963 8.129 -0.684
321 HD23 LEU 3 HD23 LEU 3 4.046 9.547 -1.190
322 H GLU 4 HN GLU 4 8.038 9.183 3.645
323 HA GLU 4 HA GLU 4 9.094 6.596 3.806
324 HB2 GLU 4 HB2 GLU 4 10.394 8.638 4.267
325 HB3 GLU 4 HB1 GLU 4 9.459 8.896 5.741
326 HG2 GLU 4 HG2 GLU 4 10.257 6.766 6.650
327 HG3 GLU 4 HG1 GLU 4 11.146 6.445 5.162
328 H LYS 5 HN LYS 5 7.095 8.391 6.140
329 HA LYS 5 HA LYS 5 7.021 6.457 8.161
330 HB2 LYS 5 HB2 LYS 5 6.205 8.750 8.478
331 HB3 LYS 5 HB1 LYS 5 4.875 8.439 7.363
332 HG2 LYS 5 HG2 LYS 5 4.078 8.191 9.657
333 HG3 LYS 5 HG1 LYS 5 4.084 6.614 8.869
334 HD2 LYS 5 HD2 LYS 5 6.116 5.973 9.974
335 HD3 LYS 5 HD1 LYS 5 6.387 7.615 10.560
336 HE2 LYS 5 HE2 LYS 5 5.499 6.293 12.390
337 HE3 LYS 5 HE1 LYS 5 4.254 7.430 11.873
338 HZ1 LYS 5 HZ1 LYS 5 3.628 5.431 10.313
339 HZ2 LYS 5 HZ2 LYS 5 3.053 5.518 11.909
340 HZ3 LYS 5 HZ3 LYS 5 4.381 4.527 11.534
341 H LEU 6 HN LEU 6 4.830 6.951 5.402
342 HA LEU 6 HA LEU 6 3.015 4.898 5.974
343 HB2 LEU 6 HB2 LEU 6 2.588 6.580 4.251
344 HB3 LEU 6 HB1 LEU 6 3.919 5.950 3.281
345 HG LEU 6 HG LEU 6 2.758 3.765 3.126
346 HD11 LEU 6 HD11 LEU 6 1.483 3.718 5.153
347 HD12 LEU 6 HD12 LEU 6 0.309 3.772 3.838
348 HD13 LEU 6 HD13 LEU 6 0.673 5.234 4.756
349 HD21 LEU 6 HD21 LEU 6 0.995 4.489 1.599
350 HD22 LEU 6 HD22 LEU 6 2.387 5.558 1.422
351 HD23 LEU 6 HD23 LEU 6 0.976 6.091 2.336
352 H MET 7 HN MET 7 5.991 4.835 4.023
353 HA MET 7 HA MET 7 5.860 2.165 3.194
354 HB2 MET 7 HB2 MET 7 7.469 3.798 2.288
355 HB3 MET 7 HB1 MET 7 8.328 3.801 3.828
356 HG2 MET 7 HG2 MET 7 9.463 2.283 2.297
357 HG3 MET 7 HG1 MET 7 8.698 1.339 3.574
358 HE1 MET 7 HE1 MET 7 9.670 0.006 0.985
359 HE2 MET 7 HE2 MET 7 8.311 -1.049 0.603
360 HE3 MET 7 HE3 MET 7 8.805 -0.833 2.281
361 H LYS 8 HN LYS 8 7.383 3.583 6.081
362 HA LYS 8 HA LYS 8 8.454 1.227 7.147
363 HB2 LYS 8 HB2 LYS 8 7.511 3.786 8.424
364 HB3 LYS 8 HB1 LYS 8 8.154 2.457 9.388
365 HG2 LYS 8 HG2 LYS 8 10.218 2.488 7.984
366 HG3 LYS 8 HG1 LYS 8 9.579 3.894 7.131
367 HD2 LYS 8 HD2 LYS 8 9.608 5.227 9.126
368 HD3 LYS 8 HD1 LYS 8 9.935 3.819 10.136
369 HE2 LYS 8 HE2 LYS 8 12.006 5.063 9.816
370 HE3 LYS 8 HE1 LYS 8 12.117 3.529 8.953
371 HZ1 LYS 8 HZ1 LYS 8 12.839 5.037 7.394
372 HZ2 LYS 8 HZ2 LYS 8 11.743 6.241 7.878
373 HZ3 LYS 8 HZ3 LYS 8 11.197 4.900 6.992
374 H ALA 9 HN ALA 9 5.275 2.732 7.684
375 HA ALA 9 HA ALA 9 4.283 0.894 9.549
376 HB1 ALA 9 HB1 ALA 9 2.220 1.886 9.206
377 HB2 ALA 9 HB2 ALA 9 2.481 2.073 7.473
378 HB3 ALA 9 HB3 ALA 9 3.299 3.146 8.608
379 H PHE 10 HN PHE 10 4.057 0.888 5.996
380 HA PHE 10 HA PHE 10 2.517 -1.432 5.703
381 HB2 PHE 10 HB2 PHE 10 2.961 0.071 3.834
382 HB3 PHE 10 HB1 PHE 10 4.679 -0.321 3.898
383 HD1 PHE 10 HD1 PHE 10 1.299 -1.801 3.351
384 HD2 PHE 10 HD2 PHE 10 5.538 -2.244 2.811
385 HE1 PHE 10 HE1 PHE 10 0.908 -3.763 1.887
386 HE2 PHE 10 HE2 PHE 10 5.146 -4.207 1.347
387 HZ PHE 10 HZ PHE 10 2.831 -4.966 0.885
388 H GLU 11 HN GLU 11 6.055 -1.042 5.813
389 HA GLU 11 HA GLU 11 6.758 -3.723 5.418
390 HB2 GLU 11 HB2 GLU 11 8.122 -1.518 6.973
391 HB3 GLU 11 HB1 GLU 11 8.857 -3.094 6.682
392 HG2 GLU 11 HG2 GLU 11 7.897 -1.176 4.537
393 HG3 GLU 11 HG1 GLU 11 9.579 -1.451 4.986
394 H SER 12 HN SER 12 6.137 -1.951 8.441
395 HA SER 12 HA SER 12 6.668 -4.035 10.236
396 HB2 SER 12 HB2 SER 12 6.328 -1.713 10.962
397 HB3 SER 12 HB1 SER 12 4.637 -1.797 10.473
398 HG SER 12 HG SER 12 5.807 -2.631 12.750
399 H LEU 13 HN LEU 13 3.622 -3.087 8.650
400 HA LEU 13 HA LEU 13 1.946 -5.003 9.818
401 HB2 LEU 13 HB2 LEU 13 1.882 -3.713 7.083
402 HB3 LEU 13 HB1 LEU 13 0.571 -4.698 7.732
403 HG LEU 13 HG LEU 13 1.685 -2.301 9.203
404 HD11 LEU 13 HD11 LEU 13 -0.526 -2.494 7.150
405 HD12 LEU 13 HD12 LEU 13 0.835 -1.374 7.183
406 HD13 LEU 13 HD13 LEU 13 -0.475 -1.201 8.349
407 HD21 LEU 13 HD21 LEU 13 0.442 -3.867 10.592
408 HD22 LEU 13 HD22 LEU 13 -0.867 -3.932 9.412
409 HD23 LEU 13 HD23 LEU 13 -0.565 -2.447 10.314
410 H LYS 14 HN LYS 14 3.857 -5.166 6.820
411 HA LYS 14 HA LYS 14 3.077 -7.723 5.995
412 HB2 LYS 14 HB2 LYS 14 4.354 -6.181 4.570
413 HB3 LYS 14 HB1 LYS 14 5.754 -6.356 5.628
414 HG2 LYS 14 HG2 LYS 14 6.035 -7.834 3.718
415 HG3 LYS 14 HG1 LYS 14 5.741 -8.817 5.151
416 HD2 LYS 14 HD2 LYS 14 3.401 -9.095 4.539
417 HD3 LYS 14 HD1 LYS 14 3.594 -7.994 3.174
418 HE2 LYS 14 HE2 LYS 14 5.227 -9.541 2.157
419 HE3 LYS 14 HE1 LYS 14 5.030 -10.644 3.519
420 HZ1 LYS 14 HZ1 LYS 14 2.940 -9.829 1.576
421 HZ2 LYS 14 HZ2 LYS 14 2.645 -10.764 2.963
422 HZ3 LYS 14 HZ3 LYS 14 3.644 -11.364 1.726
423 H SER 15 HN SER 15 5.797 -6.724 8.060
424 HA SER 15 HA SER 15 6.921 -9.256 8.484
425 HB2 SER 15 HB2 SER 15 6.821 -6.839 10.303
426 HB3 SER 15 HB1 SER 15 7.827 -8.255 10.593
427 HG SER 15 HG SER 15 9.193 -7.273 9.337
428 H PHE 16 HN PHE 16 4.430 -7.502 10.326
429 HA PHE 16 HA PHE 16 4.021 -9.398 12.345
430 HB2 PHE 16 HB2 PHE 16 3.055 -7.186 12.514
431 HB3 PHE 16 HB1 PHE 16 2.078 -7.459 11.071
432 HD1 PHE 16 HD1 PHE 16 2.677 -8.696 14.541
433 HD2 PHE 16 HD2 PHE 16 -0.028 -8.531 11.208
434 HE1 PHE 16 HE1 PHE 16 0.897 -9.716 15.935
435 HE2 PHE 16 HE2 PHE 16 -1.808 -9.551 12.602
436 HZ PHE 16 HZ PHE 16 -1.345 -10.143 14.966
437 H GLN 17 HN GLN 17 2.419 -9.044 9.188
438 HA GLN 17 HA GLN 17 0.601 -11.159 9.425
439 HB2 GLN 17 HB2 GLN 17 1.456 -9.372 7.398
440 HB3 GLN 17 HB1 GLN 17 1.567 -11.002 6.731
441 HG2 GLN 17 HG2 GLN 17 -0.677 -10.066 6.363
442 HG3 GLN 17 HG1 GLN 17 -0.752 -11.453 7.447
443 HE21 GLN 17 HE21 GLN 17 -0.406 -7.861 7.636
444 HE22 GLN 17 HE22 GLN 17 -1.351 -7.705 9.038
445 H1 ALA 1 HT1 ALA 1 -1.558 -13.162 6.074
446 H2 ALA 1 HT2 ALA 1 -0.368 -13.712 4.993
447 H3 ALA 1 HT3 ALA 1 -2.014 -13.861 4.598
448 HA ALA 1 HA ALA 1 -0.410 -11.376 4.780
449 HB1 ALA 1 HB1 ALA 1 -0.149 -12.313 2.635
450 HB2 ALA 1 HB2 ALA 1 -1.485 -11.182 2.421
451 HB3 ALA 1 HB3 ALA 1 -1.810 -12.907 2.594
452 H THR 2 HN THR 2 -3.642 -12.816 4.563
453 HA THR 2 HA THR 2 -5.743 -11.903 4.818
454 HB THR 2 HB THR 2 -5.826 -10.271 6.813
455 HG1 THR 2 HG1 THR 2 -3.936 -10.170 7.995
456 HG21 THR 2 HG21 THR 2 -5.550 -12.094 8.381
457 HG22 THR 2 HG22 THR 2 -4.522 -12.969 7.246
458 HG23 THR 2 HG23 THR 2 -6.235 -12.746 6.893
459 H LEU 3 HN LEU 3 -5.979 -10.861 2.822
460 HA LEU 3 HA LEU 3 -4.931 -8.363 2.117
461 HB2 LEU 3 HB2 LEU 3 -7.480 -9.757 1.278
462 HB3 LEU 3 HB1 LEU 3 -6.899 -8.267 0.535
463 HG LEU 3 HG LEU 3 -5.231 -10.787 0.733
464 HD11 LEU 3 HD11 LEU 3 -6.980 -9.752 -1.516
465 HD12 LEU 3 HD12 LEU 3 -7.142 -11.290 -0.668
466 HD13 LEU 3 HD13 LEU 3 -5.756 -11.005 -1.721
467 HD21 LEU 3 HD21 LEU 3 -3.827 -8.889 0.430
468 HD22 LEU 3 HD22 LEU 3 -4.963 -8.129 -0.684
469 HD23 LEU 3 HD23 LEU 3 -4.046 -9.547 -1.190
470 H GLU 4 HN GLU 4 -8.038 -9.183 3.645
471 HA GLU 4 HA GLU 4 -9.094 -6.596 3.806
472 HB2 GLU 4 HB2 GLU 4 -10.394 -8.638 4.267
473 HB3 GLU 4 HB1 GLU 4 -9.459 -8.896 5.741
474 HG2 GLU 4 HG2 GLU 4 -10.257 -6.766 6.650
475 HG3 GLU 4 HG1 GLU 4 -11.146 -6.445 5.162
476 H LYS 5 HN LYS 5 -7.095 -8.391 6.140
477 HA LYS 5 HA LYS 5 -7.021 -6.457 8.161
478 HB2 LYS 5 HB2 LYS 5 -6.205 -8.750 8.478
479 HB3 LYS 5 HB1 LYS 5 -4.875 -8.439 7.363
480 HG2 LYS 5 HG2 LYS 5 -4.078 -8.191 9.657
481 HG3 LYS 5 HG1 LYS 5 -4.084 -6.614 8.869
482 HD2 LYS 5 HD2 LYS 5 -6.116 -5.973 9.974
483 HD3 LYS 5 HD1 LYS 5 -6.387 -7.615 10.560
484 HE2 LYS 5 HE2 LYS 5 -5.499 -6.293 12.390
485 HE3 LYS 5 HE1 LYS 5 -4.254 -7.430 11.873
486 HZ1 LYS 5 HZ1 LYS 5 -3.628 -5.431 10.313
487 HZ2 LYS 5 HZ2 LYS 5 -3.053 -5.518 11.909
488 HZ3 LYS 5 HZ3 LYS 5 -4.381 -4.527 11.534
489 H LEU 6 HN LEU 6 -4.830 -6.951 5.402
490 HA LEU 6 HA LEU 6 -3.015 -4.898 5.974
491 HB2 LEU 6 HB2 LEU 6 -2.588 -6.580 4.251
492 HB3 LEU 6 HB1 LEU 6 -3.919 -5.950 3.281
493 HG LEU 6 HG LEU 6 -2.758 -3.765 3.126
494 HD11 LEU 6 HD11 LEU 6 -1.483 -3.718 5.153
495 HD12 LEU 6 HD12 LEU 6 -0.309 -3.772 3.838
496 HD13 LEU 6 HD13 LEU 6 -0.673 -5.234 4.756
497 HD21 LEU 6 HD21 LEU 6 -0.995 -4.489 1.599
498 HD22 LEU 6 HD22 LEU 6 -2.387 -5.558 1.422
499 HD23 LEU 6 HD23 LEU 6 -0.976 -6.091 2.336
500 H MET 7 HN MET 7 -5.991 -4.835 4.023
501 HA MET 7 HA MET 7 -5.860 -2.165 3.194
502 HB2 MET 7 HB2 MET 7 -7.469 -3.798 2.288
503 HB3 MET 7 HB1 MET 7 -8.328 -3.801 3.828
504 HG2 MET 7 HG2 MET 7 -9.463 -2.283 2.297
505 HG3 MET 7 HG1 MET 7 -8.698 -1.339 3.574
506 HE1 MET 7 HE1 MET 7 -9.670 -0.006 0.985
507 HE2 MET 7 HE2 MET 7 -8.311 1.049 0.603
508 HE3 MET 7 HE3 MET 7 -8.805 0.833 2.281
509 H LYS 8 HN LYS 8 -7.383 -3.583 6.081
510 HA LYS 8 HA LYS 8 -8.454 -1.227 7.147
511 HB2 LYS 8 HB2 LYS 8 -7.511 -3.786 8.424
512 HB3 LYS 8 HB1 LYS 8 -8.154 -2.457 9.388
513 HG2 LYS 8 HG2 LYS 8 -10.218 -2.488 7.984
514 HG3 LYS 8 HG1 LYS 8 -9.579 -3.894 7.131
515 HD2 LYS 8 HD2 LYS 8 -9.608 -5.227 9.126
516 HD3 LYS 8 HD1 LYS 8 -9.935 -3.819 10.136
517 HE2 LYS 8 HE2 LYS 8 -12.006 -5.063 9.816
518 HE3 LYS 8 HE1 LYS 8 -12.117 -3.529 8.953
519 HZ1 LYS 8 HZ1 LYS 8 -12.839 -5.037 7.394
520 HZ2 LYS 8 HZ2 LYS 8 -11.743 -6.241 7.878
521 HZ3 LYS 8 HZ3 LYS 8 -11.197 -4.900 6.992
522 H ALA 9 HN ALA 9 -5.275 -2.732 7.684
523 HA ALA 9 HA ALA 9 -4.283 -0.894 9.549
524 HB1 ALA 9 HB1 ALA 9 -2.220 -1.886 9.206
525 HB2 ALA 9 HB2 ALA 9 -2.481 -2.074 7.472
526 HB3 ALA 9 HB3 ALA 9 -3.299 -3.145 8.609
527 H PHE 10 HN PHE 10 -4.057 -0.888 5.996
528 HA PHE 10 HA PHE 10 -2.517 1.432 5.703
529 HB2 PHE 10 HB2 PHE 10 -2.961 -0.071 3.834
530 HB3 PHE 10 HB1 PHE 10 -4.679 0.321 3.898
531 HD1 PHE 10 HD1 PHE 10 -1.299 1.801 3.351
532 HD2 PHE 10 HD2 PHE 10 -5.538 2.244 2.811
533 HE1 PHE 10 HE1 PHE 10 -0.908 3.763 1.887
534 HE2 PHE 10 HE2 PHE 10 -5.146 4.207 1.347
535 HZ PHE 10 HZ PHE 10 -2.831 4.966 0.885
536 H GLU 11 HN GLU 11 -6.055 1.042 5.813
537 HA GLU 11 HA GLU 11 -6.758 3.723 5.418
538 HB2 GLU 11 HB2 GLU 11 -8.122 1.518 6.973
539 HB3 GLU 11 HB1 GLU 11 -8.857 3.094 6.682
540 HG2 GLU 11 HG2 GLU 11 -7.897 1.176 4.537
541 HG3 GLU 11 HG1 GLU 11 -9.579 1.451 4.986
542 H SER 12 HN SER 12 -6.137 1.951 8.441
543 HA SER 12 HA SER 12 -6.668 4.035 10.236
544 HB2 SER 12 HB2 SER 12 -6.327 1.713 10.962
545 HB3 SER 12 HB1 SER 12 -4.637 1.797 10.473
546 HG SER 12 HG SER 12 -5.036 2.214 12.740
547 H LEU 13 HN LEU 13 -3.622 3.087 8.650
548 HA LEU 13 HA LEU 13 -1.946 5.003 9.818
549 HB2 LEU 13 HB2 LEU 13 -1.882 3.713 7.083
550 HB3 LEU 13 HB1 LEU 13 -0.571 4.698 7.732
551 HG LEU 13 HG LEU 13 -1.685 2.301 9.203
552 HD11 LEU 13 HD11 LEU 13 0.525 2.494 7.150
553 HD12 LEU 13 HD12 LEU 13 -0.835 1.373 7.183
554 HD13 LEU 13 HD13 LEU 13 0.475 1.202 8.349
555 HD21 LEU 13 HD21 LEU 13 -0.442 3.867 10.592
556 HD22 LEU 13 HD22 LEU 13 0.867 3.932 9.412
557 HD23 LEU 13 HD23 LEU 13 0.565 2.447 10.314
558 H LYS 14 HN LYS 14 -3.857 5.166 6.820
559 HA LYS 14 HA LYS 14 -3.077 7.723 5.995
560 HB2 LYS 14 HB2 LYS 14 -4.354 6.181 4.570
561 HB3 LYS 14 HB1 LYS 14 -5.754 6.356 5.628
562 HG2 LYS 14 HG2 LYS 14 -6.035 7.834 3.718
563 HG3 LYS 14 HG1 LYS 14 -5.741 8.817 5.151
564 HD2 LYS 14 HD2 LYS 14 -3.401 9.095 4.539
565 HD3 LYS 14 HD1 LYS 14 -3.594 7.994 3.174
566 HE2 LYS 14 HE2 LYS 14 -5.227 9.541 2.157
567 HE3 LYS 14 HE1 LYS 14 -5.030 10.644 3.519
568 HZ1 LYS 14 HZ1 LYS 14 -2.940 9.829 1.576
569 HZ2 LYS 14 HZ2 LYS 14 -2.645 10.764 2.963
570 HZ3 LYS 14 HZ3 LYS 14 -3.644 11.364 1.726
571 H SER 15 HN SER 15 -5.797 6.724 8.060
572 HA SER 15 HA SER 15 -6.921 9.256 8.484
573 HB2 SER 15 HB2 SER 15 -6.821 6.838 10.303
574 HB3 SER 15 HB1 SER 15 -7.827 8.255 10.593
575 HG SER 15 HG SER 15 -9.118 7.663 9.019
576 H PHE 16 HN PHE 16 -4.430 7.502 10.326
577 HA PHE 16 HA PHE 16 -4.021 9.398 12.345
578 HB2 PHE 16 HB2 PHE 16 -3.055 7.187 12.516
579 HB3 PHE 16 HB1 PHE 16 -2.081 7.457 11.070
580 HD1 PHE 16 HD1 PHE 16 -2.671 8.701 14.540
581 HD2 PHE 16 HD2 PHE 16 0.027 8.523 11.202
582 HE1 PHE 16 HE1 PHE 16 -0.885 9.719 15.928
583 HE2 PHE 16 HE2 PHE 16 1.812 9.541 12.590
584 HZ PHE 16 HZ PHE 16 1.356 10.139 14.953
585 H GLN 17 HN GLN 17 -2.419 9.044 9.188
586 HA GLN 17 HA GLN 17 -0.601 11.159 9.425
587 HB2 GLN 17 HB2 GLN 17 -1.456 9.372 7.398
588 HB3 GLN 17 HB1 GLN 17 -1.568 11.002 6.731
589 HG2 GLN 17 HG2 GLN 17 0.677 10.066 6.363
590 HG3 GLN 17 HG1 GLN 17 0.751 11.454 7.447
591 HE21 GLN 17 HE21 GLN 17 0.412 7.860 7.633
592 HE22 GLN 17 HE22 GLN 17 1.355 7.705 9.035
Start of MODEL 5
1 H1 ALA 1 HT1 ALA 1 13.152 -1.403 -3.383
2 H2 ALA 1 HT2 ALA 1 13.335 -0.016 -2.419
3 H3 ALA 1 HT3 ALA 1 14.088 -0.103 -3.939
4 HA ALA 1 HA ALA 1 12.115 0.150 -5.100
5 HB1 ALA 1 HB1 ALA 1 10.842 -1.546 -3.874
6 HB2 ALA 1 HB2 ALA 1 9.908 -0.053 -3.968
7 HB3 ALA 1 HB3 ALA 1 10.737 -0.482 -2.472
8 H THR 2 HN THR 2 11.862 2.243 -5.564
9 HA THR 2 HA THR 2 12.567 4.304 -3.739
10 HB THR 2 HB THR 2 11.066 4.509 -6.361
11 HG1 THR 2 HG1 THR 2 12.972 3.668 -6.884
12 HG21 THR 2 HG21 THR 2 11.836 6.816 -6.371
13 HG22 THR 2 HG22 THR 2 12.713 6.563 -4.862
14 HG23 THR 2 HG23 THR 2 10.950 6.518 -4.875
15 H LEU 3 HN LEU 3 11.383 5.212 -2.191
16 HA LEU 3 HA LEU 3 8.757 4.467 -1.571
17 HB2 LEU 3 HB2 LEU 3 10.506 6.768 -0.750
18 HB3 LEU 3 HB1 LEU 3 8.829 6.682 -0.209
19 HG LEU 3 HG LEU 3 9.340 4.304 0.564
20 HD11 LEU 3 HD11 LEU 3 11.350 3.803 -0.614
21 HD12 LEU 3 HD12 LEU 3 11.837 4.000 1.069
22 HD13 LEU 3 HD13 LEU 3 12.120 5.300 -0.088
23 HD21 LEU 3 HD21 LEU 3 10.691 6.721 1.789
24 HD22 LEU 3 HD22 LEU 3 10.617 5.159 2.604
25 HD23 LEU 3 HD23 LEU 3 9.129 6.024 2.218
26 H GLU 4 HN GLU 4 9.973 7.376 -3.222
27 HA GLU 4 HA GLU 4 7.520 8.676 -3.585
28 HB2 GLU 4 HB2 GLU 4 10.049 8.689 -5.239
29 HB3 GLU 4 HB1 GLU 4 8.676 9.748 -5.568
30 HG2 GLU 4 HG2 GLU 4 8.847 10.753 -3.371
31 HG3 GLU 4 HG1 GLU 4 10.088 9.597 -2.891
32 H LYS 5 HN LYS 5 9.210 6.364 -5.699
33 HA LYS 5 HA LYS 5 7.380 6.362 -7.818
34 HB2 LYS 5 HB2 LYS 5 9.654 5.286 -7.801
35 HB3 LYS 5 HB1 LYS 5 8.962 3.976 -6.844
36 HG2 LYS 5 HG2 LYS 5 7.485 4.721 -9.313
37 HG3 LYS 5 HG1 LYS 5 9.042 3.925 -9.543
38 HD2 LYS 5 HD2 LYS 5 8.123 2.276 -7.695
39 HD3 LYS 5 HD1 LYS 5 6.556 2.880 -8.234
40 HE2 LYS 5 HE2 LYS 5 8.659 1.804 -10.127
41 HE3 LYS 5 HE1 LYS 5 7.365 0.813 -9.455
42 HZ1 LYS 5 HZ1 LYS 5 7.192 3.061 -11.343
43 HZ2 LYS 5 HZ2 LYS 5 5.870 2.713 -10.335
44 HZ3 LYS 5 HZ3 LYS 5 6.450 1.537 -11.417
45 H LEU 6 HN LEU 6 7.505 4.308 -4.913
46 HA LEU 6 HA LEU 6 5.304 2.679 -5.493
47 HB2 LEU 6 HB2 LEU 6 6.841 2.187 -3.660
48 HB3 LEU 6 HB1 LEU 6 6.313 3.635 -2.804
49 HG LEU 6 HG LEU 6 4.128 1.829 -3.635
50 HD11 LEU 6 HD11 LEU 6 4.553 0.127 -2.000
51 HD12 LEU 6 HD12 LEU 6 5.935 1.006 -1.349
52 HD13 LEU 6 HD13 LEU 6 6.030 0.277 -2.951
53 HD21 LEU 6 HD21 LEU 6 3.521 2.294 -1.194
54 HD22 LEU 6 HD22 LEU 6 3.614 3.710 -2.241
55 HD23 LEU 6 HD23 LEU 6 4.939 3.340 -1.139
56 H MET 7 HN MET 7 5.457 5.761 -3.722
57 HA MET 7 HA MET 7 2.751 5.956 -3.035
58 HB2 MET 7 HB2 MET 7 4.500 7.443 -2.134
59 HB3 MET 7 HB1 MET 7 4.667 8.198 -3.720
60 HG2 MET 7 HG2 MET 7 3.208 9.576 -2.338
61 HG3 MET 7 HG1 MET 7 2.250 8.837 -3.621
62 HE1 MET 7 HE1 MET 7 0.023 9.234 -2.448
63 HE2 MET 7 HE2 MET 7 0.914 10.110 -1.205
64 HE3 MET 7 HE3 MET 7 -0.285 8.907 -0.736
65 H LYS 8 HN LYS 8 4.461 7.143 -5.922
66 HA LYS 8 HA LYS 8 2.290 8.383 -7.180
67 HB2 LYS 8 HB2 LYS 8 4.738 7.024 -8.319
68 HB3 LYS 8 HB1 LYS 8 3.587 7.930 -9.302
69 HG2 LYS 8 HG2 LYS 8 3.971 9.935 -7.921
70 HG3 LYS 8 HG1 LYS 8 5.118 9.034 -6.929
71 HD2 LYS 8 HD2 LYS 8 6.527 8.641 -8.925
72 HD3 LYS 8 HD1 LYS 8 5.391 9.573 -9.901
73 HE2 LYS 8 HE2 LYS 8 6.891 10.645 -7.493
74 HE3 LYS 8 HE1 LYS 8 7.334 10.944 -9.174
75 HZ1 LYS 8 HZ1 LYS 8 4.797 11.728 -7.846
76 HZ2 LYS 8 HZ2 LYS 8 5.116 11.920 -9.503
77 HZ3 LYS 8 HZ3 LYS 8 6.036 12.768 -8.354
78 H ALA 9 HN ALA 9 3.473 5.037 -7.447
79 HA ALA 9 HA ALA 9 1.634 4.123 -9.351
80 HB1 ALA 9 HB1 ALA 9 3.548 2.778 -8.741
81 HB2 ALA 9 HB2 ALA 9 2.085 1.864 -8.374
82 HB3 ALA 9 HB3 ALA 9 2.981 2.652 -7.076
83 H PHE 10 HN PHE 10 1.431 4.120 -5.797
84 HA PHE 10 HA PHE 10 -1.050 2.846 -5.547
85 HB2 PHE 10 HB2 PHE 10 0.390 3.245 -3.622
86 HB3 PHE 10 HB1 PHE 10 0.191 4.988 -3.803
87 HD1 PHE 10 HD1 PHE 10 -1.673 1.821 -3.160
88 HD2 PHE 10 HD2 PHE 10 -1.685 6.108 -2.884
89 HE1 PHE 10 HE1 PHE 10 -3.745 1.728 -1.801
90 HE2 PHE 10 HE2 PHE 10 -3.757 6.014 -1.525
91 HZ PHE 10 HZ PHE 10 -4.787 3.824 -0.983
92 H GLU 11 HN GLU 11 -0.285 6.311 -5.834
93 HA GLU 11 HA GLU 11 -2.896 7.305 -5.630
94 HB2 GLU 11 HB2 GLU 11 -0.484 8.340 -7.132
95 HB3 GLU 11 HB1 GLU 11 -1.988 9.248 -6.973
96 HG2 GLU 11 HG2 GLU 11 -0.293 8.232 -4.671
97 HG3 GLU 11 HG1 GLU 11 -0.365 9.903 -5.229
98 H SER 12 HN SER 12 -1.049 6.321 -8.510
99 HA SER 12 HA SER 12 -2.977 6.947 -10.444
100 HB2 SER 12 HB2 SER 12 -0.657 6.323 -10.996
101 HB3 SER 12 HB1 SER 12 -0.968 4.678 -10.450
102 HG SER 12 HG SER 12 -1.792 6.004 -12.750
103 H LEU 13 HN LEU 13 -2.433 3.926 -8.638
104 HA LEU 13 HA LEU 13 -4.456 2.390 -9.816
105 HB2 LEU 13 HB2 LEU 13 -2.740 1.446 -8.335
106 HB3 LEU 13 HB1 LEU 13 -3.433 2.316 -6.967
107 HG LEU 13 HG LEU 13 -5.572 1.095 -7.303
108 HD11 LEU 13 HD11 LEU 13 -5.562 0.571 -9.620
109 HD12 LEU 13 HD12 LEU 13 -5.365 -0.984 -8.811
110 HD13 LEU 13 HD13 LEU 13 -3.969 -0.179 -9.526
111 HD21 LEU 13 HD21 LEU 13 -4.166 0.111 -5.672
112 HD22 LEU 13 HD22 LEU 13 -3.007 -0.445 -6.880
113 HD23 LEU 13 HD23 LEU 13 -4.579 -1.231 -6.738
114 H LYS 14 HN LYS 14 -4.562 4.485 -6.941
115 HA LYS 14 HA LYS 14 -7.225 4.023 -6.216
116 HB2 LYS 14 HB2 LYS 14 -5.635 5.224 -4.780
117 HB3 LYS 14 HB1 LYS 14 -5.605 6.565 -5.924
118 HG2 LYS 14 HG2 LYS 14 -7.142 7.116 -4.122
119 HG3 LYS 14 HG1 LYS 14 -8.076 6.835 -5.591
120 HD2 LYS 14 HD2 LYS 14 -8.635 4.581 -4.863
121 HD3 LYS 14 HD1 LYS 14 -7.589 4.743 -3.451
122 HE2 LYS 14 HE2 LYS 14 -8.998 6.588 -2.616
123 HE3 LYS 14 HE1 LYS 14 -10.047 6.427 -4.025
124 HZ1 LYS 14 HZ1 LYS 14 -10.924 5.255 -2.091
125 HZ2 LYS 14 HZ2 LYS 14 -9.523 4.296 -2.024
126 HZ3 LYS 14 HZ3 LYS 14 -10.572 4.182 -3.356
127 H SER 15 HN SER 15 -5.846 6.493 -8.373
128 HA SER 15 HA SER 15 -8.222 7.838 -9.000
129 HB2 SER 15 HB2 SER 15 -6.007 8.701 -9.620
130 HB3 SER 15 HB1 SER 15 -5.792 7.365 -10.748
131 HG SER 15 HG SER 15 -6.776 9.609 -11.370
132 H PHE 16 HN PHE 16 -6.651 5.073 -10.599
133 HA PHE 16 HA PHE 16 -8.487 4.735 -12.687
134 HB2 PHE 16 HB2 PHE 16 -6.845 2.662 -11.212
135 HB3 PHE 16 HB1 PHE 16 -7.675 2.384 -12.741
136 HD1 PHE 16 HD1 PHE 16 -4.681 2.109 -12.319
137 HD2 PHE 16 HD2 PHE 16 -7.085 5.438 -13.588
138 HE1 PHE 16 HE1 PHE 16 -2.740 3.051 -13.538
139 HE2 PHE 16 HE2 PHE 16 -5.143 6.376 -14.804
140 HZ PHE 16 HZ PHE 16 -2.970 5.184 -14.781
141 H GLN 17 HN GLN 17 -8.449 3.304 -9.435
142 HA GLN 17 HA GLN 17 -10.728 1.701 -9.690
143 HB2 GLN 17 HB2 GLN 17 -9.044 1.763 -7.768
144 HB3 GLN 17 HB1 GLN 17 -9.957 3.140 -7.152
145 HG2 GLN 17 HG2 GLN 17 -10.770 1.080 -6.111
146 HG3 GLN 17 HG1 GLN 17 -12.017 1.752 -7.161
147 HE21 GLN 17 HE21 GLN 17 -9.212 -0.513 -7.483
148 HE22 GLN 17 HE22 GLN 17 -10.044 -1.620 -8.463
149 H1 ALA 1 HT1 ALA 1 -13.152 1.403 -3.383
150 H2 ALA 1 HT2 ALA 1 -13.335 0.016 -2.419
151 H3 ALA 1 HT3 ALA 1 -14.088 0.103 -3.939
152 HA ALA 1 HA ALA 1 -12.115 -0.150 -5.100
153 HB1 ALA 1 HB1 ALA 1 -10.842 1.546 -3.874
154 HB2 ALA 1 HB2 ALA 1 -9.908 0.053 -3.968
155 HB3 ALA 1 HB3 ALA 1 -10.737 0.482 -2.472
156 H THR 2 HN THR 2 -11.862 -2.243 -5.564
157 HA THR 2 HA THR 2 -12.567 -4.304 -3.739
158 HB THR 2 HB THR 2 -11.066 -4.509 -6.361
159 HG1 THR 2 HG1 THR 2 -12.972 -3.668 -6.884
160 HG21 THR 2 HG21 THR 2 -11.836 -6.816 -6.371
161 HG22 THR 2 HG22 THR 2 -12.713 -6.563 -4.862
162 HG23 THR 2 HG23 THR 2 -10.950 -6.518 -4.875
163 H LEU 3 HN LEU 3 -11.383 -5.212 -2.191
164 HA LEU 3 HA LEU 3 -8.757 -4.467 -1.571
165 HB2 LEU 3 HB2 LEU 3 -10.506 -6.768 -0.750
166 HB3 LEU 3 HB1 LEU 3 -8.829 -6.682 -0.209
167 HG LEU 3 HG LEU 3 -9.340 -4.304 0.564
168 HD11 LEU 3 HD11 LEU 3 -11.350 -3.803 -0.614
169 HD12 LEU 3 HD12 LEU 3 -11.837 -4.000 1.069
170 HD13 LEU 3 HD13 LEU 3 -12.120 -5.300 -0.088
171 HD21 LEU 3 HD21 LEU 3 -10.691 -6.721 1.789
172 HD22 LEU 3 HD22 LEU 3 -10.617 -5.159 2.604
173 HD23 LEU 3 HD23 LEU 3 -9.129 -6.024 2.218
174 H GLU 4 HN GLU 4 -9.973 -7.376 -3.222
175 HA GLU 4 HA GLU 4 -7.520 -8.676 -3.585
176 HB2 GLU 4 HB2 GLU 4 -10.049 -8.689 -5.239
177 HB3 GLU 4 HB1 GLU 4 -8.676 -9.748 -5.568
178 HG2 GLU 4 HG2 GLU 4 -8.847 -10.753 -3.371
179 HG3 GLU 4 HG1 GLU 4 -10.088 -9.597 -2.891
180 H LYS 5 HN LYS 5 -9.210 -6.364 -5.699
181 HA LYS 5 HA LYS 5 -7.380 -6.362 -7.818
182 HB2 LYS 5 HB2 LYS 5 -9.654 -5.286 -7.801
183 HB3 LYS 5 HB1 LYS 5 -8.962 -3.976 -6.844
184 HG2 LYS 5 HG2 LYS 5 -7.485 -4.721 -9.313
185 HG3 LYS 5 HG1 LYS 5 -9.042 -3.925 -9.543
186 HD2 LYS 5 HD2 LYS 5 -8.123 -2.276 -7.695
187 HD3 LYS 5 HD1 LYS 5 -6.556 -2.880 -8.234
188 HE2 LYS 5 HE2 LYS 5 -8.659 -1.804 -10.127
189 HE3 LYS 5 HE1 LYS 5 -7.365 -0.813 -9.455
190 HZ1 LYS 5 HZ1 LYS 5 -7.192 -3.061 -11.343
191 HZ2 LYS 5 HZ2 LYS 5 -5.870 -2.713 -10.335
192 HZ3 LYS 5 HZ3 LYS 5 -6.450 -1.537 -11.417
193 H LEU 6 HN LEU 6 -7.505 -4.308 -4.913
194 HA LEU 6 HA LEU 6 -5.304 -2.679 -5.493
195 HB2 LEU 6 HB2 LEU 6 -6.841 -2.187 -3.660
196 HB3 LEU 6 HB1 LEU 6 -6.313 -3.635 -2.804
197 HG LEU 6 HG LEU 6 -4.128 -1.829 -3.635
198 HD11 LEU 6 HD11 LEU 6 -4.553 -0.127 -2.000
199 HD12 LEU 6 HD12 LEU 6 -5.935 -1.006 -1.349
200 HD13 LEU 6 HD13 LEU 6 -6.030 -0.277 -2.951
201 HD21 LEU 6 HD21 LEU 6 -3.521 -2.294 -1.194
202 HD22 LEU 6 HD22 LEU 6 -3.614 -3.710 -2.241
203 HD23 LEU 6 HD23 LEU 6 -4.939 -3.340 -1.139
204 H MET 7 HN MET 7 -5.457 -5.761 -3.722
205 HA MET 7 HA MET 7 -2.751 -5.956 -3.035
206 HB2 MET 7 HB2 MET 7 -4.500 -7.443 -2.134
207 HB3 MET 7 HB1 MET 7 -4.667 -8.198 -3.720
208 HG2 MET 7 HG2 MET 7 -3.208 -9.576 -2.338
209 HG3 MET 7 HG1 MET 7 -2.250 -8.837 -3.621
210 HE1 MET 7 HE1 MET 7 -0.023 -9.234 -2.448
211 HE2 MET 7 HE2 MET 7 -0.914 -10.110 -1.205
212 HE3 MET 7 HE3 MET 7 0.285 -8.907 -0.736
213 H LYS 8 HN LYS 8 -4.461 -7.143 -5.922
214 HA LYS 8 HA LYS 8 -2.290 -8.383 -7.180
215 HB2 LYS 8 HB2 LYS 8 -4.738 -7.024 -8.319
216 HB3 LYS 8 HB1 LYS 8 -3.587 -7.930 -9.302
217 HG2 LYS 8 HG2 LYS 8 -3.971 -9.935 -7.921
218 HG3 LYS 8 HG1 LYS 8 -5.118 -9.034 -6.929
219 HD2 LYS 8 HD2 LYS 8 -6.527 -8.641 -8.925
220 HD3 LYS 8 HD1 LYS 8 -5.391 -9.573 -9.901
221 HE2 LYS 8 HE2 LYS 8 -6.891 -10.645 -7.493
222 HE3 LYS 8 HE1 LYS 8 -7.334 -10.944 -9.174
223 HZ1 LYS 8 HZ1 LYS 8 -4.797 -11.728 -7.846
224 HZ2 LYS 8 HZ2 LYS 8 -5.116 -11.920 -9.503
225 HZ3 LYS 8 HZ3 LYS 8 -6.036 -12.768 -8.354
226 H ALA 9 HN ALA 9 -3.473 -5.037 -7.447
227 HA ALA 9 HA ALA 9 -1.634 -4.123 -9.351
228 HB1 ALA 9 HB1 ALA 9 -3.548 -2.778 -8.741
229 HB2 ALA 9 HB2 ALA 9 -2.085 -1.864 -8.374
230 HB3 ALA 9 HB3 ALA 9 -2.981 -2.652 -7.076
231 H PHE 10 HN PHE 10 -1.431 -4.120 -5.797
232 HA PHE 10 HA PHE 10 1.050 -2.846 -5.547
233 HB2 PHE 10 HB2 PHE 10 -0.390 -3.245 -3.622
234 HB3 PHE 10 HB1 PHE 10 -0.191 -4.988 -3.803
235 HD1 PHE 10 HD1 PHE 10 1.673 -1.821 -3.160
236 HD2 PHE 10 HD2 PHE 10 1.685 -6.108 -2.884
237 HE1 PHE 10 HE1 PHE 10 3.745 -1.728 -1.801
238 HE2 PHE 10 HE2 PHE 10 3.757 -6.014 -1.525
239 HZ PHE 10 HZ PHE 10 4.787 -3.824 -0.983
240 H GLU 11 HN GLU 11 0.285 -6.311 -5.834
241 HA GLU 11 HA GLU 11 2.896 -7.305 -5.630
242 HB2 GLU 11 HB2 GLU 11 0.484 -8.340 -7.132
243 HB3 GLU 11 HB1 GLU 11 1.988 -9.248 -6.973
244 HG2 GLU 11 HG2 GLU 11 0.293 -8.232 -4.671
245 HG3 GLU 11 HG1 GLU 11 0.365 -9.903 -5.229
246 H SER 12 HN SER 12 1.049 -6.321 -8.510
247 HA SER 12 HA SER 12 2.977 -6.947 -10.444
248 HB2 SER 12 HB2 SER 12 0.897 -4.749 -10.407
249 HB3 SER 12 HB1 SER 12 1.832 -5.204 -11.829
250 HG SER 12 HG SER 12 0.276 -7.021 -10.304
251 H LEU 13 HN LEU 13 2.433 -3.926 -8.638
252 HA LEU 13 HA LEU 13 4.455 -2.390 -9.816
253 HB2 LEU 13 HB2 LEU 13 2.740 -1.446 -8.335
254 HB3 LEU 13 HB1 LEU 13 3.433 -2.316 -6.967
255 HG LEU 13 HG LEU 13 5.572 -1.095 -7.303
256 HD11 LEU 13 HD11 LEU 13 5.562 -0.571 -9.620
257 HD12 LEU 13 HD12 LEU 13 5.365 0.984 -8.811
258 HD13 LEU 13 HD13 LEU 13 3.969 0.179 -9.526
259 HD21 LEU 13 HD21 LEU 13 4.166 -0.111 -5.672
260 HD22 LEU 13 HD22 LEU 13 3.007 0.445 -6.880
261 HD23 LEU 13 HD23 LEU 13 4.579 1.231 -6.738
262 H LYS 14 HN LYS 14 4.562 -4.485 -6.941
263 HA LYS 14 HA LYS 14 7.225 -4.023 -6.216
264 HB2 LYS 14 HB2 LYS 14 5.635 -5.224 -4.780
265 HB3 LYS 14 HB1 LYS 14 5.605 -6.565 -5.924
266 HG2 LYS 14 HG2 LYS 14 7.142 -7.116 -4.122
267 HG3 LYS 14 HG1 LYS 14 8.076 -6.835 -5.591
268 HD2 LYS 14 HD2 LYS 14 8.635 -4.581 -4.863
269 HD3 LYS 14 HD1 LYS 14 7.589 -4.743 -3.451
270 HE2 LYS 14 HE2 LYS 14 8.998 -6.588 -2.616
271 HE3 LYS 14 HE1 LYS 14 10.047 -6.427 -4.025
272 HZ1 LYS 14 HZ1 LYS 14 10.924 -5.255 -2.091
273 HZ2 LYS 14 HZ2 LYS 14 9.523 -4.296 -2.024
274 HZ3 LYS 14 HZ3 LYS 14 10.572 -4.182 -3.356
275 H SER 15 HN SER 15 5.846 -6.493 -8.373
276 HA SER 15 HA SER 15 8.229 -7.828 -8.995
277 HB2 SER 15 HB2 SER 15 7.071 -8.651 -10.981
278 HB3 SER 15 HB1 SER 15 5.983 -8.680 -9.597
279 HG SER 15 HG SER 15 4.913 -6.968 -10.392
280 H PHE 16 HN PHE 16 6.651 -5.073 -10.599
281 HA PHE 16 HA PHE 16 8.474 -4.730 -12.695
282 HB2 PHE 16 HB2 PHE 16 6.335 -3.564 -12.617
283 HB3 PHE 16 HB1 PHE 16 6.843 -2.676 -11.182
284 HD1 PHE 16 HD1 PHE 16 7.655 -3.248 -14.778
285 HD2 PHE 16 HD2 PHE 16 8.103 -0.682 -11.363
286 HE1 PHE 16 HE1 PHE 16 8.678 -1.508 -16.219
287 HE2 PHE 16 HE2 PHE 16 9.128 1.056 -12.803
288 HZ PHE 16 HZ PHE 16 9.415 0.644 -15.232
289 H GLN 17 HN GLN 17 8.449 -3.304 -9.435
290 HA GLN 17 HA GLN 17 10.728 -1.701 -9.690
291 HB2 GLN 17 HB2 GLN 17 9.044 -1.763 -7.768
292 HB3 GLN 17 HB1 GLN 17 9.957 -3.140 -7.152
293 HG2 GLN 17 HG2 GLN 17 10.770 -1.080 -6.111
294 HG3 GLN 17 HG1 GLN 17 12.017 -1.752 -7.161
295 HE21 GLN 17 HE21 GLN 17 9.212 0.513 -7.483
296 HE22 GLN 17 HE22 GLN 17 10.044 1.620 -8.463
297 H1 ALA 1 HT1 ALA 1 -1.403 13.152 3.383
298 H2 ALA 1 HT2 ALA 1 -0.016 13.335 2.419
299 H3 ALA 1 HT3 ALA 1 -0.103 14.088 3.939
300 HA ALA 1 HA ALA 1 0.150 12.115 5.100
301 HB1 ALA 1 HB1 ALA 1 -1.546 10.842 3.874
302 HB2 ALA 1 HB2 ALA 1 -0.053 9.908 3.968
303 HB3 ALA 1 HB3 ALA 1 -0.482 10.737 2.472
304 H THR 2 HN THR 2 2.243 11.862 5.564
305 HA THR 2 HA THR 2 4.304 12.567 3.739
306 HB THR 2 HB THR 2 4.509 11.066 6.361
307 HG1 THR 2 HG1 THR 2 3.668 12.972 6.884
308 HG21 THR 2 HG21 THR 2 6.816 11.836 6.371
309 HG22 THR 2 HG22 THR 2 6.563 12.713 4.862
310 HG23 THR 2 HG23 THR 2 6.518 10.950 4.875
311 H LEU 3 HN LEU 3 5.212 11.383 2.191
312 HA LEU 3 HA LEU 3 4.467 8.757 1.571
313 HB2 LEU 3 HB2 LEU 3 6.768 10.506 0.750
314 HB3 LEU 3 HB1 LEU 3 6.682 8.829 0.209
315 HG LEU 3 HG LEU 3 4.304 9.340 -0.564
316 HD11 LEU 3 HD11 LEU 3 3.803 11.350 0.614
317 HD12 LEU 3 HD12 LEU 3 4.000 11.837 -1.069
318 HD13 LEU 3 HD13 LEU 3 5.300 12.120 0.088
319 HD21 LEU 3 HD21 LEU 3 6.721 10.691 -1.789
320 HD22 LEU 3 HD22 LEU 3 5.159 10.617 -2.604
321 HD23 LEU 3 HD23 LEU 3 6.024 9.129 -2.218
322 H GLU 4 HN GLU 4 7.376 9.973 3.222
323 HA GLU 4 HA GLU 4 8.676 7.520 3.585
324 HB2 GLU 4 HB2 GLU 4 8.689 10.049 5.239
325 HB3 GLU 4 HB1 GLU 4 9.748 8.676 5.568
326 HG2 GLU 4 HG2 GLU 4 10.753 8.847 3.371
327 HG3 GLU 4 HG1 GLU 4 9.597 10.088 2.891
328 H LYS 5 HN LYS 5 6.364 9.210 5.699
329 HA LYS 5 HA LYS 5 6.362 7.380 7.818
330 HB2 LYS 5 HB2 LYS 5 5.286 9.654 7.801
331 HB3 LYS 5 HB1 LYS 5 3.976 8.962 6.844
332 HG2 LYS 5 HG2 LYS 5 4.721 7.485 9.313
333 HG3 LYS 5 HG1 LYS 5 3.925 9.042 9.543
334 HD2 LYS 5 HD2 LYS 5 2.276 8.123 7.695
335 HD3 LYS 5 HD1 LYS 5 2.880 6.556 8.234
336 HE2 LYS 5 HE2 LYS 5 1.804 8.659 10.128
337 HE3 LYS 5 HE1 LYS 5 0.813 7.365 9.455
338 HZ1 LYS 5 HZ1 LYS 5 3.061 7.192 11.343
339 HZ2 LYS 5 HZ2 LYS 5 2.712 5.870 10.335
340 HZ3 LYS 5 HZ3 LYS 5 1.537 6.450 11.417
341 H LEU 6 HN LEU 6 4.308 7.505 4.913
342 HA LEU 6 HA LEU 6 2.679 5.304 5.493
343 HB2 LEU 6 HB2 LEU 6 2.187 6.841 3.660
344 HB3 LEU 6 HB1 LEU 6 3.635 6.313 2.804
345 HG LEU 6 HG LEU 6 1.829 4.128 3.635
346 HD11 LEU 6 HD11 LEU 6 0.127 4.553 2.000
347 HD12 LEU 6 HD12 LEU 6 1.006 5.935 1.349
348 HD13 LEU 6 HD13 LEU 6 0.277 6.030 2.951
349 HD21 LEU 6 HD21 LEU 6 2.294 3.521 1.194
350 HD22 LEU 6 HD22 LEU 6 3.710 3.614 2.241
351 HD23 LEU 6 HD23 LEU 6 3.340 4.939 1.139
352 H MET 7 HN MET 7 5.761 5.457 3.722
353 HA MET 7 HA MET 7 5.956 2.751 3.035
354 HB2 MET 7 HB2 MET 7 7.443 4.500 2.134
355 HB3 MET 7 HB1 MET 7 8.198 4.667 3.720
356 HG2 MET 7 HG2 MET 7 9.576 3.208 2.338
357 HG3 MET 7 HG1 MET 7 8.837 2.250 3.621
358 HE1 MET 7 HE1 MET 7 9.234 0.023 2.448
359 HE2 MET 7 HE2 MET 7 10.110 0.914 1.205
360 HE3 MET 7 HE3 MET 7 8.907 -0.285 0.736
361 H LYS 8 HN LYS 8 7.143 4.461 5.922
362 HA LYS 8 HA LYS 8 8.383 2.290 7.180
363 HB2 LYS 8 HB2 LYS 8 7.024 4.738 8.319
364 HB3 LYS 8 HB1 LYS 8 7.930 3.587 9.302
365 HG2 LYS 8 HG2 LYS 8 9.935 3.971 7.921
366 HG3 LYS 8 HG1 LYS 8 9.034 5.118 6.929
367 HD2 LYS 8 HD2 LYS 8 8.641 6.527 8.925
368 HD3 LYS 8 HD1 LYS 8 9.573 5.391 9.901
369 HE2 LYS 8 HE2 LYS 8 10.645 6.891 7.493
370 HE3 LYS 8 HE1 LYS 8 10.944 7.334 9.174
371 HZ1 LYS 8 HZ1 LYS 8 11.728 4.797 7.846
372 HZ2 LYS 8 HZ2 LYS 8 11.920 5.116 9.503
373 HZ3 LYS 8 HZ3 LYS 8 12.768 6.036 8.354
374 H ALA 9 HN ALA 9 5.037 3.473 7.447
375 HA ALA 9 HA ALA 9 4.123 1.634 9.350
376 HB1 ALA 9 HB1 ALA 9 2.779 3.550 8.738
377 HB2 ALA 9 HB2 ALA 9 1.864 2.086 8.376
378 HB3 ALA 9 HB3 ALA 9 2.651 2.979 7.074
379 H PHE 10 HN PHE 10 4.120 1.431 5.797
380 HA PHE 10 HA PHE 10 2.846 -1.050 5.547
381 HB2 PHE 10 HB2 PHE 10 3.245 0.390 3.622
382 HB3 PHE 10 HB1 PHE 10 4.988 0.191 3.803
383 HD1 PHE 10 HD1 PHE 10 1.821 -1.673 3.160
384 HD2 PHE 10 HD2 PHE 10 6.108 -1.685 2.884
385 HE1 PHE 10 HE1 PHE 10 1.728 -3.745 1.801
386 HE2 PHE 10 HE2 PHE 10 6.014 -3.757 1.525
387 HZ PHE 10 HZ PHE 10 3.824 -4.787 0.983
388 H GLU 11 HN GLU 11 6.311 -0.285 5.834
389 HA GLU 11 HA GLU 11 7.305 -2.896 5.630
390 HB2 GLU 11 HB2 GLU 11 8.340 -0.484 7.132
391 HB3 GLU 11 HB1 GLU 11 9.248 -1.988 6.973
392 HG2 GLU 11 HG2 GLU 11 8.232 -0.293 4.671
393 HG3 GLU 11 HG1 GLU 11 9.903 -0.365 5.229
394 H SER 12 HN SER 12 6.321 -1.049 8.510
395 HA SER 12 HA SER 12 6.948 -2.985 10.435
396 HB2 SER 12 HB2 SER 12 5.404 -1.812 11.904
397 HB3 SER 12 HB1 SER 12 6.317 -0.637 10.962
398 HG SER 12 HG SER 12 4.562 -0.189 9.797
399 H LEU 13 HN LEU 13 3.926 -2.433 8.638
400 HA LEU 13 HA LEU 13 2.393 -4.456 9.818
401 HB2 LEU 13 HB2 LEU 13 1.430 -2.751 8.348
402 HB3 LEU 13 HB1 LEU 13 2.312 -3.419 6.974
403 HG LEU 13 HG LEU 13 1.115 -5.571 7.270
404 HD11 LEU 13 HD11 LEU 13 0.630 -5.576 9.613
405 HD12 LEU 13 HD12 LEU 13 -0.930 -5.478 8.798
406 HD13 LEU 13 HD13 LEU 13 -0.216 -4.032 9.511
407 HD21 LEU 13 HD21 LEU 13 0.096 -4.153 5.677
408 HD22 LEU 13 HD22 LEU 13 -0.456 -3.018 6.909
409 HD23 LEU 13 HD23 LEU 13 -1.232 -4.593 6.751
410 H LYS 14 HN LYS 14 4.485 -4.562 6.941
411 HA LYS 14 HA LYS 14 4.023 -7.225 6.216
412 HB2 LYS 14 HB2 LYS 14 5.224 -5.635 4.780
413 HB3 LYS 14 HB1 LYS 14 6.565 -5.605 5.924
414 HG2 LYS 14 HG2 LYS 14 7.116 -7.142 4.122
415 HG3 LYS 14 HG1 LYS 14 6.835 -8.076 5.591
416 HD2 LYS 14 HD2 LYS 14 4.581 -8.635 4.863
417 HD3 LYS 14 HD1 LYS 14 4.743 -7.589 3.451
418 HE2 LYS 14 HE2 LYS 14 6.588 -8.998 2.616
419 HE3 LYS 14 HE1 LYS 14 6.427 -10.047 4.025
420 HZ1 LYS 14 HZ1 LYS 14 5.255 -10.924 2.091
421 HZ2 LYS 14 HZ2 LYS 14 4.296 -9.523 2.024
422 HZ3 LYS 14 HZ3 LYS 14 4.182 -10.572 3.356
423 H SER 15 HN SER 15 6.493 -5.846 8.373
424 HA SER 15 HA SER 15 7.838 -8.222 9.000
425 HB2 SER 15 HB2 SER 15 8.701 -6.007 9.621
426 HB3 SER 15 HB1 SER 15 7.365 -5.791 10.747
427 HG SER 15 HG SER 15 9.497 -6.656 11.538
428 H PHE 16 HN PHE 16 5.073 -6.651 10.599
429 HA PHE 16 HA PHE 16 4.735 -8.479 12.692
430 HB2 PHE 16 HB2 PHE 16 3.543 -6.372 12.681
431 HB3 PHE 16 HB1 PHE 16 2.689 -6.818 11.203
432 HD1 PHE 16 HD1 PHE 16 3.195 -7.809 14.765
433 HD2 PHE 16 HD2 PHE 16 0.693 -8.089 11.284
434 HE1 PHE 16 HE1 PHE 16 1.443 -8.933 16.114
435 HE2 PHE 16 HE2 PHE 16 -1.058 -9.212 12.633
436 HZ PHE 16 HZ PHE 16 -0.683 -9.634 15.048
437 H GLN 17 HN GLN 17 3.304 -8.449 9.435
438 HA GLN 17 HA GLN 17 1.701 -10.728 9.689
439 HB2 GLN 17 HB2 GLN 17 1.857 -9.001 7.759
440 HB3 GLN 17 HB1 GLN 17 3.127 -10.050 7.129
441 HG2 GLN 17 HG2 GLN 17 0.995 -10.707 6.149
442 HG3 GLN 17 HG1 GLN 17 1.543 -11.975 7.244
443 HE21 GLN 17 HE21 GLN 17 -0.404 -8.932 7.481
444 HE22 GLN 17 HE22 GLN 17 -1.587 -9.607 8.494
445 H1 ALA 1 HT1 ALA 1 1.403 -13.152 3.383
446 H2 ALA 1 HT2 ALA 1 0.016 -13.335 2.419
447 H3 ALA 1 HT3 ALA 1 0.103 -14.088 3.939
448 HA ALA 1 HA ALA 1 -0.150 -12.115 5.100
449 HB1 ALA 1 HB1 ALA 1 1.546 -10.842 3.874
450 HB2 ALA 1 HB2 ALA 1 0.053 -9.908 3.968
451 HB3 ALA 1 HB3 ALA 1 0.482 -10.737 2.472
452 H THR 2 HN THR 2 -2.243 -11.862 5.564
453 HA THR 2 HA THR 2 -4.298 -12.564 3.732
454 HB THR 2 HB THR 2 -4.493 -11.111 6.378
455 HG1 THR 2 HG1 THR 2 -3.707 -13.029 6.883
456 HG21 THR 2 HG21 THR 2 -6.808 -11.827 6.383
457 HG22 THR 2 HG22 THR 2 -6.581 -12.693 4.865
458 HG23 THR 2 HG23 THR 2 -6.506 -10.931 4.894
459 H LEU 3 HN LEU 3 -5.212 -11.383 2.191
460 HA LEU 3 HA LEU 3 -4.467 -8.757 1.571
461 HB2 LEU 3 HB2 LEU 3 -6.768 -10.506 0.750
462 HB3 LEU 3 HB1 LEU 3 -6.682 -8.829 0.209
463 HG LEU 3 HG LEU 3 -4.304 -9.340 -0.564
464 HD11 LEU 3 HD11 LEU 3 -3.803 -11.350 0.614
465 HD12 LEU 3 HD12 LEU 3 -4.000 -11.837 -1.069
466 HD13 LEU 3 HD13 LEU 3 -5.300 -12.120 0.088
467 HD21 LEU 3 HD21 LEU 3 -6.721 -10.691 -1.789
468 HD22 LEU 3 HD22 LEU 3 -5.159 -10.617 -2.604
469 HD23 LEU 3 HD23 LEU 3 -6.024 -9.129 -2.218
470 H GLU 4 HN GLU 4 -7.376 -9.973 3.222
471 HA GLU 4 HA GLU 4 -8.676 -7.520 3.585
472 HB2 GLU 4 HB2 GLU 4 -8.689 -10.049 5.239
473 HB3 GLU 4 HB1 GLU 4 -9.748 -8.676 5.568
474 HG2 GLU 4 HG2 GLU 4 -10.753 -8.847 3.371
475 HG3 GLU 4 HG1 GLU 4 -9.597 -10.088 2.891
476 H LYS 5 HN LYS 5 -6.364 -9.210 5.699
477 HA LYS 5 HA LYS 5 -6.365 -7.376 7.813
478 HB2 LYS 5 HB2 LYS 5 -4.257 -9.260 6.782
479 HB3 LYS 5 HB1 LYS 5 -3.982 -8.232 8.187
480 HG2 LYS 5 HG2 LYS 5 -6.343 -9.216 8.930
481 HG3 LYS 5 HG1 LYS 5 -5.858 -10.539 7.869
482 HD2 LYS 5 HD2 LYS 5 -4.451 -11.325 9.435
483 HD3 LYS 5 HD1 LYS 5 -3.617 -9.773 9.503
484 HE2 LYS 5 HE2 LYS 5 -6.269 -10.079 10.878
485 HE3 LYS 5 HE1 LYS 5 -4.813 -10.701 11.656
486 HZ1 LYS 5 HZ1 LYS 5 -5.570 -8.251 12.030
487 HZ2 LYS 5 HZ2 LYS 5 -4.781 -7.983 10.549
488 HZ3 LYS 5 HZ3 LYS 5 -3.922 -8.621 11.867
489 H LEU 6 HN LEU 6 -4.308 -7.505 4.913
490 HA LEU 6 HA LEU 6 -2.679 -5.304 5.493
491 HB2 LEU 6 HB2 LEU 6 -2.187 -6.841 3.660
492 HB3 LEU 6 HB1 LEU 6 -3.635 -6.313 2.804
493 HG LEU 6 HG LEU 6 -1.829 -4.128 3.635
494 HD11 LEU 6 HD11 LEU 6 -0.127 -4.553 2.000
495 HD12 LEU 6 HD12 LEU 6 -1.006 -5.935 1.349
496 HD13 LEU 6 HD13 LEU 6 -0.277 -6.030 2.951
497 HD21 LEU 6 HD21 LEU 6 -2.294 -3.521 1.194
498 HD22 LEU 6 HD22 LEU 6 -3.709 -3.614 2.241
499 HD23 LEU 6 HD23 LEU 6 -3.340 -4.939 1.139
500 H MET 7 HN MET 7 -5.761 -5.457 3.722
501 HA MET 7 HA MET 7 -5.956 -2.751 3.035
502 HB2 MET 7 HB2 MET 7 -7.443 -4.500 2.134
503 HB3 MET 7 HB1 MET 7 -8.198 -4.667 3.720
504 HG2 MET 7 HG2 MET 7 -9.576 -3.208 2.338
505 HG3 MET 7 HG1 MET 7 -8.837 -2.250 3.621
506 HE1 MET 7 HE1 MET 7 -9.234 -0.023 2.448
507 HE2 MET 7 HE2 MET 7 -10.110 -0.914 1.205
508 HE3 MET 7 HE3 MET 7 -8.907 0.285 0.736
509 H LYS 8 HN LYS 8 -7.143 -4.461 5.922
510 HA LYS 8 HA LYS 8 -8.383 -2.290 7.180
511 HB2 LYS 8 HB2 LYS 8 -7.024 -4.738 8.319
512 HB3 LYS 8 HB1 LYS 8 -7.930 -3.587 9.302
513 HG2 LYS 8 HG2 LYS 8 -9.935 -3.971 7.921
514 HG3 LYS 8 HG1 LYS 8 -9.034 -5.118 6.929
515 HD2 LYS 8 HD2 LYS 8 -8.641 -6.527 8.925
516 HD3 LYS 8 HD1 LYS 8 -9.573 -5.391 9.901
517 HE2 LYS 8 HE2 LYS 8 -10.645 -6.891 7.493
518 HE3 LYS 8 HE1 LYS 8 -10.944 -7.334 9.174
519 HZ1 LYS 8 HZ1 LYS 8 -11.728 -4.797 7.846
520 HZ2 LYS 8 HZ2 LYS 8 -11.920 -5.116 9.503
521 HZ3 LYS 8 HZ3 LYS 8 -12.768 -6.036 8.354
522 H ALA 9 HN ALA 9 -5.037 -3.473 7.447
523 HA ALA 9 HA ALA 9 -4.124 -1.633 9.350
524 HB1 ALA 9 HB1 ALA 9 -2.723 -3.481 8.828
525 HB2 ALA 9 HB2 ALA 9 -1.860 -2.053 8.258
526 HB3 ALA 9 HB3 ALA 9 -2.714 -3.084 7.110
527 H PHE 10 HN PHE 10 -4.120 -1.431 5.797
528 HA PHE 10 HA PHE 10 -2.846 1.050 5.547
529 HB2 PHE 10 HB2 PHE 10 -3.245 -0.390 3.622
530 HB3 PHE 10 HB1 PHE 10 -4.988 -0.191 3.803
531 HD1 PHE 10 HD1 PHE 10 -1.821 1.673 3.160
532 HD2 PHE 10 HD2 PHE 10 -6.108 1.685 2.884
533 HE1 PHE 10 HE1 PHE 10 -1.728 3.745 1.801
534 HE2 PHE 10 HE2 PHE 10 -6.014 3.757 1.525
535 HZ PHE 10 HZ PHE 10 -3.824 4.787 0.983
536 H GLU 11 HN GLU 11 -6.311 0.285 5.834
537 HA GLU 11 HA GLU 11 -7.305 2.896 5.630
538 HB2 GLU 11 HB2 GLU 11 -8.340 0.484 7.132
539 HB3 GLU 11 HB1 GLU 11 -9.248 1.988 6.973
540 HG2 GLU 11 HG2 GLU 11 -8.232 0.293 4.671
541 HG3 GLU 11 HG1 GLU 11 -9.903 0.365 5.229
542 H SER 12 HN SER 12 -6.321 1.049 8.510
543 HA SER 12 HA SER 12 -6.949 2.986 10.434
544 HB2 SER 12 HB2 SER 12 -5.381 1.819 11.897
545 HB3 SER 12 HB1 SER 12 -6.335 0.653 10.985
546 HG SER 12 HG SER 12 -3.637 1.273 10.854
547 H LEU 13 HN LEU 13 -3.926 2.433 8.638
548 HA LEU 13 HA LEU 13 -2.390 4.455 9.816
549 HB2 LEU 13 HB2 LEU 13 -1.446 2.740 8.335
550 HB3 LEU 13 HB1 LEU 13 -2.316 3.433 6.967
551 HG LEU 13 HG LEU 13 -1.095 5.572 7.303
552 HD11 LEU 13 HD11 LEU 13 -0.571 5.562 9.620
553 HD12 LEU 13 HD12 LEU 13 0.984 5.365 8.811
554 HD13 LEU 13 HD13 LEU 13 0.179 3.969 9.526
555 HD21 LEU 13 HD21 LEU 13 -0.111 4.166 5.672
556 HD22 LEU 13 HD22 LEU 13 0.445 3.007 6.880
557 HD23 LEU 13 HD23 LEU 13 1.231 4.579 6.738
558 H LYS 14 HN LYS 14 -4.485 4.562 6.941
559 HA LYS 14 HA LYS 14 -4.023 7.225 6.216
560 HB2 LYS 14 HB2 LYS 14 -5.224 5.635 4.780
561 HB3 LYS 14 HB1 LYS 14 -6.565 5.605 5.924
562 HG2 LYS 14 HG2 LYS 14 -7.116 7.142 4.122
563 HG3 LYS 14 HG1 LYS 14 -6.835 8.076 5.591
564 HD2 LYS 14 HD2 LYS 14 -4.581 8.635 4.863
565 HD3 LYS 14 HD1 LYS 14 -4.743 7.589 3.451
566 HE2 LYS 14 HE2 LYS 14 -6.588 8.998 2.616
567 HE3 LYS 14 HE1 LYS 14 -6.427 10.047 4.025
568 HZ1 LYS 14 HZ1 LYS 14 -5.255 10.924 2.091
569 HZ2 LYS 14 HZ2 LYS 14 -4.296 9.523 2.024
570 HZ3 LYS 14 HZ3 LYS 14 -4.182 10.572 3.356
571 H SER 15 HN SER 15 -6.493 5.846 8.373
572 HA SER 15 HA SER 15 -7.838 8.222 9.000
573 HB2 SER 15 HB2 SER 15 -8.701 6.008 9.623
574 HB3 SER 15 HB1 SER 15 -7.365 5.794 10.750
575 HG SER 15 HG SER 15 -8.229 7.249 12.073
576 H PHE 16 HN PHE 16 -5.073 6.651 10.599
577 HA PHE 16 HA PHE 16 -4.737 8.481 12.690
578 HB2 PHE 16 HB2 PHE 16 -2.859 6.634 11.242
579 HB3 PHE 16 HB1 PHE 16 -2.256 7.733 12.483
580 HD1 PHE 16 HD1 PHE 16 -3.562 4.521 11.923
581 HD2 PHE 16 HD2 PHE 16 -3.758 7.788 14.704
582 HE1 PHE 16 HE1 PHE 16 -4.358 2.971 13.687
583 HE2 PHE 16 HE2 PHE 16 -4.552 6.238 16.469
584 HZ PHE 16 HZ PHE 16 -4.852 3.829 15.960
585 H GLN 17 HN GLN 17 -3.304 8.449 9.435
586 HA GLN 17 HA GLN 17 -1.701 10.728 9.690
587 HB2 GLN 17 HB2 GLN 17 -1.763 9.044 7.768
588 HB3 GLN 17 HB1 GLN 17 -3.140 9.957 7.152
589 HG2 GLN 17 HG2 GLN 17 -1.080 10.770 6.111
590 HG3 GLN 17 HG1 GLN 17 -1.752 12.017 7.161
591 HE21 GLN 17 HE21 GLN 17 0.513 9.212 7.483
592 HE22 GLN 17 HE22 GLN 17 1.620 10.044 8.463
Start of MODEL 6
1 H1 ALA 1 HT1 ALA 1 12.114 9.245 -4.840
2 H2 ALA 1 HT2 ALA 1 13.325 9.404 -6.021
3 H3 ALA 1 HT3 ALA 1 13.612 9.927 -4.431
4 HA ALA 1 HA ALA 1 14.565 7.672 -5.222
5 HB1 ALA 1 HB1 ALA 1 14.821 7.169 -2.997
6 HB2 ALA 1 HB2 ALA 1 13.109 7.395 -2.641
7 HB3 ALA 1 HB3 ALA 1 14.168 8.796 -2.801
8 H THR 2 HN THR 2 13.827 5.342 -4.399
9 HA THR 2 HA THR 2 11.798 4.479 -6.151
10 HB THR 2 HB THR 2 12.010 2.306 -4.996
11 HG1 THR 2 HG1 THR 2 13.461 2.222 -3.226
12 HG21 THR 2 HG21 THR 2 14.675 3.699 -5.371
13 HG22 THR 2 HG22 THR 2 13.694 3.038 -6.680
14 HG23 THR 2 HG23 THR 2 14.380 1.963 -5.461
15 H LEU 3 HN LEU 3 11.766 5.272 -2.714
16 HA LEU 3 HA LEU 3 9.247 4.260 -2.030
17 HB2 LEU 3 HB2 LEU 3 10.711 6.705 -1.007
18 HB3 LEU 3 HB1 LEU 3 9.286 6.003 -0.240
19 HG LEU 3 HG LEU 3 11.837 4.457 -0.776
20 HD11 LEU 3 HD11 LEU 3 12.320 6.223 0.826
21 HD12 LEU 3 HD12 LEU 3 12.195 4.692 1.693
22 HD13 LEU 3 HD13 LEU 3 10.859 5.843 1.738
23 HD21 LEU 3 HD21 LEU 3 9.904 3.013 -0.569
24 HD22 LEU 3 HD22 LEU 3 9.335 3.904 0.842
25 HD23 LEU 3 HD23 LEU 3 10.799 2.930 0.948
26 H GLU 4 HN GLU 4 10.154 7.465 -3.285
27 HA GLU 4 HA GLU 4 7.605 8.622 -3.262
28 HB2 GLU 4 HB2 GLU 4 10.014 9.101 -5.013
29 HB3 GLU 4 HB1 GLU 4 8.537 10.052 -5.163
30 HG2 GLU 4 HG2 GLU 4 9.822 11.317 -3.657
31 HG3 GLU 4 HG1 GLU 4 8.761 10.394 -2.595
32 H LYS 5 HN LYS 5 9.255 6.796 -5.832
33 HA LYS 5 HA LYS 5 7.266 6.994 -7.790
34 HB2 LYS 5 HB2 LYS 5 9.510 6.123 -8.257
35 HB3 LYS 5 HB1 LYS 5 9.181 4.709 -7.257
36 HG2 LYS 5 HG2 LYS 5 8.833 4.123 -9.596
37 HG3 LYS 5 HG1 LYS 5 7.275 4.136 -8.773
38 HD2 LYS 5 HD2 LYS 5 6.779 6.355 -9.648
39 HD3 LYS 5 HD1 LYS 5 8.383 6.461 -10.373
40 HE2 LYS 5 HE2 LYS 5 7.861 4.526 -11.813
41 HE3 LYS 5 HE1 LYS 5 6.257 4.420 -11.089
42 HZ1 LYS 5 HZ1 LYS 5 5.648 6.484 -11.988
43 HZ2 LYS 5 HZ2 LYS 5 6.427 5.663 -13.256
44 HZ3 LYS 5 HZ3 LYS 5 7.245 6.882 -12.400
45 H LEU 6 HN LEU 6 7.742 4.529 -5.266
46 HA LEU 6 HA LEU 6 5.597 2.859 -5.941
47 HB2 LEU 6 HB2 LEU 6 7.503 2.595 -4.158
48 HB3 LEU 6 HB1 LEU 6 6.327 3.339 -3.073
49 HG LEU 6 HG LEU 6 5.599 0.988 -4.822
50 HD11 LEU 6 HD11 LEU 6 7.493 0.263 -3.473
51 HD12 LEU 6 HD12 LEU 6 6.016 -0.427 -2.800
52 HD13 LEU 6 HD13 LEU 6 6.772 0.966 -2.025
53 HD21 LEU 6 HD21 LEU 6 4.417 2.440 -2.468
54 HD22 LEU 6 HD22 LEU 6 4.036 0.735 -2.707
55 HD23 LEU 6 HD23 LEU 6 3.636 1.910 -3.957
56 H MET 7 HN MET 7 5.715 5.634 -3.718
57 HA MET 7 HA MET 7 3.065 5.529 -2.823
58 HB2 MET 7 HB2 MET 7 5.072 7.746 -3.102
59 HB3 MET 7 HB1 MET 7 3.423 8.096 -2.581
60 HG2 MET 7 HG2 MET 7 4.912 5.855 -1.259
61 HG3 MET 7 HG1 MET 7 5.279 7.517 -0.793
62 HE1 MET 7 HE1 MET 7 3.521 4.753 0.723
63 HE2 MET 7 HE2 MET 7 3.012 4.637 -0.959
64 HE3 MET 7 HE3 MET 7 1.812 4.912 0.300
65 H LYS 8 HN LYS 8 4.465 7.266 -5.594
66 HA LYS 8 HA LYS 8 2.133 8.531 -6.483
67 HB2 LYS 8 HB2 LYS 8 4.557 7.539 -7.992
68 HB3 LYS 8 HB1 LYS 8 3.278 8.497 -8.739
69 HG2 LYS 8 HG2 LYS 8 3.651 10.291 -7.085
70 HG3 LYS 8 HG1 LYS 8 4.936 9.337 -6.343
71 HD2 LYS 8 HD2 LYS 8 6.217 9.389 -8.432
72 HD3 LYS 8 HD1 LYS 8 4.920 10.283 -9.224
73 HE2 LYS 8 HE2 LYS 8 6.679 11.832 -8.508
74 HE3 LYS 8 HE1 LYS 8 5.210 12.121 -7.577
75 HZ1 LYS 8 HZ1 LYS 8 7.529 11.858 -6.414
76 HZ2 LYS 8 HZ2 LYS 8 7.156 10.205 -6.525
77 HZ3 LYS 8 HZ3 LYS 8 6.115 11.260 -5.694
78 H ALA 9 HN ALA 9 3.483 5.357 -7.361
79 HA ALA 9 HA ALA 9 1.553 4.623 -9.252
80 HB1 ALA 9 HB1 ALA 9 3.511 3.290 -9.096
81 HB2 ALA 9 HB2 ALA 9 2.189 2.253 -8.563
82 HB3 ALA 9 HB3 ALA 9 3.261 2.995 -7.376
83 H PHE 10 HN PHE 10 1.638 4.056 -5.739
84 HA PHE 10 HA PHE 10 -0.738 2.589 -5.529
85 HB2 PHE 10 HB2 PHE 10 0.912 2.874 -3.688
86 HB3 PHE 10 HB1 PHE 10 0.361 4.540 -3.494
87 HD1 PHE 10 HD1 PHE 10 -0.627 0.983 -3.237
88 HD2 PHE 10 HD2 PHE 10 -1.772 5.055 -2.491
89 HE1 PHE 10 HE1 PHE 10 -2.532 0.195 -1.860
90 HE2 PHE 10 HE2 PHE 10 -3.676 4.266 -1.112
91 HZ PHE 10 HZ PHE 10 -4.056 1.836 -0.797
92 H GLU 11 HN GLU 11 -0.201 6.101 -5.306
93 HA GLU 11 HA GLU 11 -2.838 6.867 -4.762
94 HB2 GLU 11 HB2 GLU 11 -0.622 8.286 -6.250
95 HB3 GLU 11 HB1 GLU 11 -2.157 9.051 -5.840
96 HG2 GLU 11 HG2 GLU 11 -0.222 7.815 -3.858
97 HG3 GLU 11 HG1 GLU 11 -0.438 9.542 -4.137
98 H SER 12 HN SER 12 -1.178 6.470 -7.886
99 HA SER 12 HA SER 12 -3.289 7.251 -9.553
100 HB2 SER 12 HB2 SER 12 -1.087 5.226 -10.017
101 HB3 SER 12 HB1 SER 12 -2.161 5.828 -11.277
102 HG SER 12 HG SER 12 -0.318 7.283 -9.684
103 H LEU 13 HN LEU 13 -2.424 4.033 -8.296
104 HA LEU 13 HA LEU 13 -4.442 2.556 -9.558
105 HB2 LEU 13 HB2 LEU 13 -2.596 1.479 -8.386
106 HB3 LEU 13 HB1 LEU 13 -3.155 2.140 -6.849
107 HG LEU 13 HG LEU 13 -5.299 0.899 -7.133
108 HD11 LEU 13 HD11 LEU 13 -5.423 0.694 -9.524
109 HD12 LEU 13 HD12 LEU 13 -5.263 -0.941 -8.882
110 HD13 LEU 13 HD13 LEU 13 -3.866 -0.132 -9.593
111 HD21 LEU 13 HD21 LEU 13 -2.752 -0.743 -7.267
112 HD22 LEU 13 HD22 LEU 13 -4.318 -1.367 -6.747
113 HD23 LEU 13 HD23 LEU 13 -3.516 -0.107 -5.810
114 H LYS 14 HN LYS 14 -4.441 4.172 -6.386
115 HA LYS 14 HA LYS 14 -7.006 3.419 -5.559
116 HB2 LYS 14 HB2 LYS 14 -5.366 5.890 -4.979
117 HB3 LYS 14 HB1 LYS 14 -6.905 5.555 -4.190
118 HG2 LYS 14 HG2 LYS 14 -4.598 3.594 -4.192
119 HG3 LYS 14 HG1 LYS 14 -4.840 4.789 -2.919
120 HD2 LYS 14 HD2 LYS 14 -6.966 2.791 -3.735
121 HD3 LYS 14 HD1 LYS 14 -5.819 2.503 -2.430
122 HE2 LYS 14 HE2 LYS 14 -6.600 4.634 -1.355
123 HE3 LYS 14 HE1 LYS 14 -7.844 4.751 -2.599
124 HZ1 LYS 14 HZ1 LYS 14 -7.516 2.378 -0.855
125 HZ2 LYS 14 HZ2 LYS 14 -8.822 2.743 -1.879
126 HZ3 LYS 14 HZ3 LYS 14 -8.553 3.667 -0.479
127 H SER 15 HN SER 15 -5.949 6.282 -7.387
128 HA SER 15 HA SER 15 -8.442 7.539 -7.622
129 HB2 SER 15 HB2 SER 15 -6.082 7.522 -9.518
130 HB3 SER 15 HB1 SER 15 -7.463 8.605 -9.666
131 HG SER 15 HG SER 15 -5.736 8.366 -7.420
132 H PHE 16 HN PHE 16 -6.846 5.170 -9.747
133 HA PHE 16 HA PHE 16 -8.814 5.032 -11.732
134 HB2 PHE 16 HB2 PHE 16 -6.953 2.870 -10.714
135 HB3 PHE 16 HB1 PHE 16 -7.891 2.766 -12.202
136 HD1 PHE 16 HD1 PHE 16 -4.721 2.978 -11.481
137 HD2 PHE 16 HD2 PHE 16 -7.683 5.587 -13.179
138 HE1 PHE 16 HE1 PHE 16 -2.942 4.216 -12.684
139 HE2 PHE 16 HE2 PHE 16 -5.902 6.823 -14.382
140 HZ PHE 16 HZ PHE 16 -3.532 6.139 -14.134
141 H GLN 17 HN GLN 17 -8.440 3.121 -8.757
142 HA GLN 17 HA GLN 17 -10.634 1.418 -9.099
143 HB2 GLN 17 HB2 GLN 17 -8.848 1.221 -7.333
144 HB3 GLN 17 HB1 GLN 17 -9.653 2.525 -6.460
145 HG2 GLN 17 HG2 GLN 17 -10.405 0.355 -5.603
146 HG3 GLN 17 HG1 GLN 17 -11.737 1.183 -6.406
147 HE21 GLN 17 HE21 GLN 17 -12.928 -0.297 -7.607
148 HE22 GLN 17 HE22 GLN 17 -12.268 -1.574 -8.510
149 H1 ALA 1 HT1 ALA 1 -12.114 -9.245 -4.840
150 H2 ALA 1 HT2 ALA 1 -13.325 -9.404 -6.021
151 H3 ALA 1 HT3 ALA 1 -13.612 -9.927 -4.431
152 HA ALA 1 HA ALA 1 -14.565 -7.672 -5.222
153 HB1 ALA 1 HB1 ALA 1 -14.821 -7.169 -2.997
154 HB2 ALA 1 HB2 ALA 1 -13.109 -7.395 -2.641
155 HB3 ALA 1 HB3 ALA 1 -14.168 -8.796 -2.801
156 H THR 2 HN THR 2 -13.827 -5.342 -4.399
157 HA THR 2 HA THR 2 -11.798 -4.479 -6.151
158 HB THR 2 HB THR 2 -12.010 -2.306 -4.996
159 HG1 THR 2 HG1 THR 2 -13.461 -2.222 -3.226
160 HG21 THR 2 HG21 THR 2 -14.675 -3.699 -5.371
161 HG22 THR 2 HG22 THR 2 -13.694 -3.038 -6.680
162 HG23 THR 2 HG23 THR 2 -14.380 -1.963 -5.461
163 H LEU 3 HN LEU 3 -11.766 -5.272 -2.714
164 HA LEU 3 HA LEU 3 -9.247 -4.260 -2.030
165 HB2 LEU 3 HB2 LEU 3 -10.711 -6.705 -1.007
166 HB3 LEU 3 HB1 LEU 3 -9.286 -6.003 -0.240
167 HG LEU 3 HG LEU 3 -11.837 -4.457 -0.776
168 HD11 LEU 3 HD11 LEU 3 -12.320 -6.223 0.826
169 HD12 LEU 3 HD12 LEU 3 -12.195 -4.692 1.693
170 HD13 LEU 3 HD13 LEU 3 -10.859 -5.843 1.738
171 HD21 LEU 3 HD21 LEU 3 -9.904 -3.013 -0.569
172 HD22 LEU 3 HD22 LEU 3 -9.335 -3.904 0.842
173 HD23 LEU 3 HD23 LEU 3 -10.799 -2.930 0.948
174 H GLU 4 HN GLU 4 -10.154 -7.465 -3.285
175 HA GLU 4 HA GLU 4 -7.605 -8.622 -3.262
176 HB2 GLU 4 HB2 GLU 4 -10.014 -9.101 -5.013
177 HB3 GLU 4 HB1 GLU 4 -8.537 -10.052 -5.163
178 HG2 GLU 4 HG2 GLU 4 -9.822 -11.317 -3.657
179 HG3 GLU 4 HG1 GLU 4 -8.761 -10.394 -2.595
180 H LYS 5 HN LYS 5 -9.255 -6.796 -5.832
181 HA LYS 5 HA LYS 5 -7.266 -6.994 -7.790
182 HB2 LYS 5 HB2 LYS 5 -9.510 -6.123 -8.257
183 HB3 LYS 5 HB1 LYS 5 -9.181 -4.709 -7.257
184 HG2 LYS 5 HG2 LYS 5 -8.833 -4.123 -9.596
185 HG3 LYS 5 HG1 LYS 5 -7.275 -4.136 -8.773
186 HD2 LYS 5 HD2 LYS 5 -6.779 -6.355 -9.648
187 HD3 LYS 5 HD1 LYS 5 -8.383 -6.461 -10.373
188 HE2 LYS 5 HE2 LYS 5 -7.861 -4.526 -11.813
189 HE3 LYS 5 HE1 LYS 5 -6.257 -4.420 -11.089
190 HZ1 LYS 5 HZ1 LYS 5 -5.648 -6.484 -11.988
191 HZ2 LYS 5 HZ2 LYS 5 -6.427 -5.663 -13.256
192 HZ3 LYS 5 HZ3 LYS 5 -7.245 -6.882 -12.400
193 H LEU 6 HN LEU 6 -7.742 -4.529 -5.266
194 HA LEU 6 HA LEU 6 -5.597 -2.859 -5.941
195 HB2 LEU 6 HB2 LEU 6 -7.503 -2.595 -4.158
196 HB3 LEU 6 HB1 LEU 6 -6.327 -3.339 -3.073
197 HG LEU 6 HG LEU 6 -5.599 -0.988 -4.822
198 HD11 LEU 6 HD11 LEU 6 -7.493 -0.263 -3.473
199 HD12 LEU 6 HD12 LEU 6 -6.016 0.427 -2.800
200 HD13 LEU 6 HD13 LEU 6 -6.772 -0.966 -2.025
201 HD21 LEU 6 HD21 LEU 6 -4.417 -2.440 -2.468
202 HD22 LEU 6 HD22 LEU 6 -4.036 -0.735 -2.707
203 HD23 LEU 6 HD23 LEU 6 -3.636 -1.910 -3.957
204 H MET 7 HN MET 7 -5.715 -5.634 -3.718
205 HA MET 7 HA MET 7 -3.065 -5.529 -2.823
206 HB2 MET 7 HB2 MET 7 -5.072 -7.746 -3.102
207 HB3 MET 7 HB1 MET 7 -3.423 -8.096 -2.581
208 HG2 MET 7 HG2 MET 7 -4.912 -5.855 -1.259
209 HG3 MET 7 HG1 MET 7 -5.279 -7.517 -0.793
210 HE1 MET 7 HE1 MET 7 -3.521 -4.753 0.723
211 HE2 MET 7 HE2 MET 7 -3.012 -4.637 -0.959
212 HE3 MET 7 HE3 MET 7 -1.812 -4.912 0.300
213 H LYS 8 HN LYS 8 -4.465 -7.266 -5.594
214 HA LYS 8 HA LYS 8 -2.133 -8.531 -6.483
215 HB2 LYS 8 HB2 LYS 8 -4.557 -7.539 -7.992
216 HB3 LYS 8 HB1 LYS 8 -3.278 -8.497 -8.739
217 HG2 LYS 8 HG2 LYS 8 -3.651 -10.291 -7.085
218 HG3 LYS 8 HG1 LYS 8 -4.936 -9.337 -6.343
219 HD2 LYS 8 HD2 LYS 8 -6.217 -9.389 -8.432
220 HD3 LYS 8 HD1 LYS 8 -4.920 -10.283 -9.224
221 HE2 LYS 8 HE2 LYS 8 -6.679 -11.832 -8.508
222 HE3 LYS 8 HE1 LYS 8 -5.210 -12.121 -7.577
223 HZ1 LYS 8 HZ1 LYS 8 -7.529 -11.858 -6.414
224 HZ2 LYS 8 HZ2 LYS 8 -7.156 -10.205 -6.525
225 HZ3 LYS 8 HZ3 LYS 8 -6.115 -11.260 -5.694
226 H ALA 9 HN ALA 9 -3.483 -5.357 -7.361
227 HA ALA 9 HA ALA 9 -1.554 -4.623 -9.252
228 HB1 ALA 9 HB1 ALA 9 -3.512 -3.290 -9.096
229 HB2 ALA 9 HB2 ALA 9 -2.189 -2.253 -8.563
230 HB3 ALA 9 HB3 ALA 9 -3.261 -2.995 -7.376
231 H PHE 10 HN PHE 10 -1.638 -4.056 -5.739
232 HA PHE 10 HA PHE 10 0.738 -2.589 -5.529
233 HB2 PHE 10 HB2 PHE 10 -0.912 -2.874 -3.688
234 HB3 PHE 10 HB1 PHE 10 -0.361 -4.540 -3.494
235 HD1 PHE 10 HD1 PHE 10 0.627 -0.983 -3.237
236 HD2 PHE 10 HD2 PHE 10 1.772 -5.055 -2.491
237 HE1 PHE 10 HE1 PHE 10 2.532 -0.195 -1.860
238 HE2 PHE 10 HE2 PHE 10 3.676 -4.266 -1.112
239 HZ PHE 10 HZ PHE 10 4.056 -1.836 -0.797
240 H GLU 11 HN GLU 11 0.201 -6.101 -5.306
241 HA GLU 11 HA GLU 11 2.838 -6.867 -4.762
242 HB2 GLU 11 HB2 GLU 11 0.622 -8.286 -6.250
243 HB3 GLU 11 HB1 GLU 11 2.157 -9.051 -5.840
244 HG2 GLU 11 HG2 GLU 11 0.222 -7.815 -3.858
245 HG3 GLU 11 HG1 GLU 11 0.438 -9.542 -4.137
246 H SER 12 HN SER 12 1.178 -6.470 -7.886
247 HA SER 12 HA SER 12 3.296 -7.250 -9.542
248 HB2 SER 12 HB2 SER 12 2.163 -6.014 -11.318
249 HB3 SER 12 HB1 SER 12 0.985 -6.895 -10.350
250 HG SER 12 HG SER 12 0.332 -5.040 -9.439
251 H LEU 13 HN LEU 13 2.424 -4.033 -8.296
252 HA LEU 13 HA LEU 13 4.442 -2.556 -9.558
253 HB2 LEU 13 HB2 LEU 13 2.596 -1.479 -8.386
254 HB3 LEU 13 HB1 LEU 13 3.155 -2.140 -6.849
255 HG LEU 13 HG LEU 13 5.299 -0.899 -7.133
256 HD11 LEU 13 HD11 LEU 13 5.423 -0.693 -9.524
257 HD12 LEU 13 HD12 LEU 13 5.262 0.941 -8.882
258 HD13 LEU 13 HD13 LEU 13 3.866 0.132 -9.593
259 HD21 LEU 13 HD21 LEU 13 2.753 0.743 -7.267
260 HD22 LEU 13 HD22 LEU 13 4.318 1.366 -6.747
261 HD23 LEU 13 HD23 LEU 13 3.516 0.107 -5.810
262 H LYS 14 HN LYS 14 4.441 -4.172 -6.386
263 HA LYS 14 HA LYS 14 7.006 -3.419 -5.559
264 HB2 LYS 14 HB2 LYS 14 5.366 -5.890 -4.979
265 HB3 LYS 14 HB1 LYS 14 6.905 -5.555 -4.190
266 HG2 LYS 14 HG2 LYS 14 4.598 -3.594 -4.192
267 HG3 LYS 14 HG1 LYS 14 4.840 -4.789 -2.919
268 HD2 LYS 14 HD2 LYS 14 6.966 -2.791 -3.735
269 HD3 LYS 14 HD1 LYS 14 5.819 -2.503 -2.430
270 HE2 LYS 14 HE2 LYS 14 6.600 -4.634 -1.355
271 HE3 LYS 14 HE1 LYS 14 7.844 -4.751 -2.599
272 HZ1 LYS 14 HZ1 LYS 14 7.516 -2.378 -0.855
273 HZ2 LYS 14 HZ2 LYS 14 8.822 -2.743 -1.879
274 HZ3 LYS 14 HZ3 LYS 14 8.553 -3.667 -0.479
275 H SER 15 HN SER 15 5.949 -6.282 -7.387
276 HA SER 15 HA SER 15 8.448 -7.526 -7.617
277 HB2 SER 15 HB2 SER 15 7.505 -8.726 -9.524
278 HB3 SER 15 HB1 SER 15 6.315 -8.619 -8.231
279 HG SER 15 HG SER 15 5.214 -7.125 -9.356
280 H PHE 16 HN PHE 16 6.846 -5.170 -9.747
281 HA PHE 16 HA PHE 16 8.815 -5.032 -11.732
282 HB2 PHE 16 HB2 PHE 16 6.944 -2.879 -10.713
283 HB3 PHE 16 HB1 PHE 16 7.885 -2.765 -12.199
284 HD1 PHE 16 HD1 PHE 16 4.707 -3.045 -11.443
285 HD2 PHE 16 HD2 PHE 16 7.712 -5.546 -13.223
286 HE1 PHE 16 HE1 PHE 16 2.944 -4.307 -12.648
287 HE2 PHE 16 HE2 PHE 16 5.949 -6.808 -14.426
288 HZ PHE 16 HZ PHE 16 3.566 -6.189 -14.138
289 H GLN 17 HN GLN 17 8.440 -3.121 -8.757
290 HA GLN 17 HA GLN 17 10.634 -1.418 -9.099
291 HB2 GLN 17 HB2 GLN 17 8.848 -1.221 -7.333
292 HB3 GLN 17 HB1 GLN 17 9.653 -2.525 -6.460
293 HG2 GLN 17 HG2 GLN 17 10.405 -0.355 -5.603
294 HG3 GLN 17 HG1 GLN 17 11.737 -1.183 -6.406
295 HE21 GLN 17 HE21 GLN 17 12.928 0.297 -7.607
296 HE22 GLN 17 HE22 GLN 17 12.268 1.574 -8.510
297 H1 ALA 1 HT1 ALA 1 9.245 12.114 4.840
298 H2 ALA 1 HT2 ALA 1 9.404 13.325 6.021
299 H3 ALA 1 HT3 ALA 1 9.927 13.612 4.431
300 HA ALA 1 HA ALA 1 7.672 14.565 5.222
301 HB1 ALA 1 HB1 ALA 1 7.169 14.821 2.997
302 HB2 ALA 1 HB2 ALA 1 7.395 13.109 2.641
303 HB3 ALA 1 HB3 ALA 1 8.796 14.168 2.801
304 H THR 2 HN THR 2 5.342 13.827 4.399
305 HA THR 2 HA THR 2 4.479 11.798 6.151
306 HB THR 2 HB THR 2 2.306 12.010 4.996
307 HG1 THR 2 HG1 THR 2 2.222 13.461 3.226
308 HG21 THR 2 HG21 THR 2 3.699 14.675 5.371
309 HG22 THR 2 HG22 THR 2 3.038 13.694 6.680
310 HG23 THR 2 HG23 THR 2 1.963 14.380 5.461
311 H LEU 3 HN LEU 3 5.272 11.766 2.714
312 HA LEU 3 HA LEU 3 4.260 9.247 2.030
313 HB2 LEU 3 HB2 LEU 3 6.705 10.711 1.007
314 HB3 LEU 3 HB1 LEU 3 6.003 9.286 0.240
315 HG LEU 3 HG LEU 3 4.457 11.837 0.776
316 HD11 LEU 3 HD11 LEU 3 6.223 12.320 -0.826
317 HD12 LEU 3 HD12 LEU 3 4.692 12.195 -1.693
318 HD13 LEU 3 HD13 LEU 3 5.843 10.859 -1.738
319 HD21 LEU 3 HD21 LEU 3 3.013 9.904 0.569
320 HD22 LEU 3 HD22 LEU 3 3.904 9.335 -0.842
321 HD23 LEU 3 HD23 LEU 3 2.930 10.799 -0.948
322 H GLU 4 HN GLU 4 7.465 10.154 3.285
323 HA GLU 4 HA GLU 4 8.622 7.605 3.262
324 HB2 GLU 4 HB2 GLU 4 9.101 10.014 5.013
325 HB3 GLU 4 HB1 GLU 4 10.052 8.537 5.163
326 HG2 GLU 4 HG2 GLU 4 11.317 9.822 3.657
327 HG3 GLU 4 HG1 GLU 4 10.394 8.761 2.595
328 H LYS 5 HN LYS 5 6.796 9.255 5.832
329 HA LYS 5 HA LYS 5 6.994 7.266 7.790
330 HB2 LYS 5 HB2 LYS 5 6.123 9.510 8.257
331 HB3 LYS 5 HB1 LYS 5 4.709 9.181 7.257
332 HG2 LYS 5 HG2 LYS 5 4.123 8.833 9.596
333 HG3 LYS 5 HG1 LYS 5 4.136 7.275 8.773
334 HD2 LYS 5 HD2 LYS 5 6.355 6.779 9.648
335 HD3 LYS 5 HD1 LYS 5 6.461 8.383 10.373
336 HE2 LYS 5 HE2 LYS 5 4.526 7.861 11.813
337 HE3 LYS 5 HE1 LYS 5 4.420 6.257 11.089
338 HZ1 LYS 5 HZ1 LYS 5 6.484 5.648 11.988
339 HZ2 LYS 5 HZ2 LYS 5 5.663 6.427 13.256
340 HZ3 LYS 5 HZ3 LYS 5 6.882 7.245 12.400
341 H LEU 6 HN LEU 6 4.529 7.742 5.266
342 HA LEU 6 HA LEU 6 2.859 5.597 5.941
343 HB2 LEU 6 HB2 LEU 6 2.595 7.503 4.158
344 HB3 LEU 6 HB1 LEU 6 3.339 6.327 3.073
345 HG LEU 6 HG LEU 6 0.988 5.599 4.822
346 HD11 LEU 6 HD11 LEU 6 0.263 7.493 3.473
347 HD12 LEU 6 HD12 LEU 6 -0.427 6.016 2.800
348 HD13 LEU 6 HD13 LEU 6 0.966 6.772 2.025
349 HD21 LEU 6 HD21 LEU 6 2.440 4.417 2.468
350 HD22 LEU 6 HD22 LEU 6 0.735 4.036 2.707
351 HD23 LEU 6 HD23 LEU 6 1.910 3.636 3.957
352 H MET 7 HN MET 7 5.634 5.715 3.718
353 HA MET 7 HA MET 7 5.529 3.065 2.823
354 HB2 MET 7 HB2 MET 7 7.746 5.072 3.102
355 HB3 MET 7 HB1 MET 7 8.096 3.423 2.581
356 HG2 MET 7 HG2 MET 7 5.855 4.912 1.259
357 HG3 MET 7 HG1 MET 7 7.517 5.279 0.793
358 HE1 MET 7 HE1 MET 7 4.753 3.521 -0.723
359 HE2 MET 7 HE2 MET 7 4.637 3.012 0.959
360 HE3 MET 7 HE3 MET 7 4.912 1.812 -0.300
361 H LYS 8 HN LYS 8 7.266 4.465 5.594
362 HA LYS 8 HA LYS 8 8.531 2.133 6.483
363 HB2 LYS 8 HB2 LYS 8 7.539 4.557 7.992
364 HB3 LYS 8 HB1 LYS 8 8.497 3.278 8.739
365 HG2 LYS 8 HG2 LYS 8 10.291 3.651 7.085
366 HG3 LYS 8 HG1 LYS 8 9.337 4.936 6.343
367 HD2 LYS 8 HD2 LYS 8 9.389 6.217 8.432
368 HD3 LYS 8 HD1 LYS 8 10.283 4.920 9.224
369 HE2 LYS 8 HE2 LYS 8 11.832 6.679 8.508
370 HE3 LYS 8 HE1 LYS 8 12.121 5.210 7.577
371 HZ1 LYS 8 HZ1 LYS 8 11.858 7.529 6.414
372 HZ2 LYS 8 HZ2 LYS 8 10.205 7.156 6.525
373 HZ3 LYS 8 HZ3 LYS 8 11.260 6.115 5.694
374 H ALA 9 HN ALA 9 5.357 3.483 7.361
375 HA ALA 9 HA ALA 9 4.623 1.553 9.252
376 HB1 ALA 9 HB1 ALA 9 3.290 3.511 9.096
377 HB2 ALA 9 HB2 ALA 9 2.253 2.189 8.563
378 HB3 ALA 9 HB3 ALA 9 2.995 3.261 7.376
379 H PHE 10 HN PHE 10 4.056 1.638 5.739
380 HA PHE 10 HA PHE 10 2.589 -0.738 5.529
381 HB2 PHE 10 HB2 PHE 10 2.874 0.912 3.688
382 HB3 PHE 10 HB1 PHE 10 4.540 0.361 3.494
383 HD1 PHE 10 HD1 PHE 10 0.983 -0.627 3.237
384 HD2 PHE 10 HD2 PHE 10 5.055 -1.772 2.491
385 HE1 PHE 10 HE1 PHE 10 0.195 -2.532 1.860
386 HE2 PHE 10 HE2 PHE 10 4.266 -3.676 1.112
387 HZ PHE 10 HZ PHE 10 1.836 -4.056 0.797
388 H GLU 11 HN GLU 11 6.101 -0.201 5.306
389 HA GLU 11 HA GLU 11 6.867 -2.838 4.762
390 HB2 GLU 11 HB2 GLU 11 8.286 -0.622 6.250
391 HB3 GLU 11 HB1 GLU 11 9.051 -2.157 5.840
392 HG2 GLU 11 HG2 GLU 11 7.815 -0.222 3.858
393 HG3 GLU 11 HG1 GLU 11 9.542 -0.438 4.137
394 H SER 12 HN SER 12 6.470 -1.178 7.886
395 HA SER 12 HA SER 12 7.251 -3.289 9.553
396 HB2 SER 12 HB2 SER 12 5.226 -1.087 10.017
397 HB3 SER 12 HB1 SER 12 5.828 -2.160 11.277
398 HG SER 12 HG SER 12 7.596 -1.033 11.334
399 H LEU 13 HN LEU 13 4.033 -2.424 8.296
400 HA LEU 13 HA LEU 13 2.556 -4.442 9.558
401 HB2 LEU 13 HB2 LEU 13 1.479 -2.596 8.386
402 HB3 LEU 13 HB1 LEU 13 2.139 -3.155 6.849
403 HG LEU 13 HG LEU 13 0.898 -5.299 7.133
404 HD11 LEU 13 HD11 LEU 13 0.694 -5.423 9.524
405 HD12 LEU 13 HD12 LEU 13 -0.941 -5.263 8.882
406 HD13 LEU 13 HD13 LEU 13 -0.132 -3.867 9.594
407 HD21 LEU 13 HD21 LEU 13 -0.743 -2.752 7.267
408 HD22 LEU 13 HD22 LEU 13 -1.367 -4.318 6.747
409 HD23 LEU 13 HD23 LEU 13 -0.107 -3.515 5.810
410 H LYS 14 HN LYS 14 4.172 -4.441 6.386
411 HA LYS 14 HA LYS 14 3.419 -7.006 5.559
412 HB2 LYS 14 HB2 LYS 14 5.890 -5.366 4.979
413 HB3 LYS 14 HB1 LYS 14 5.555 -6.905 4.190
414 HG2 LYS 14 HG2 LYS 14 3.594 -4.598 4.192
415 HG3 LYS 14 HG1 LYS 14 4.789 -4.840 2.919
416 HD2 LYS 14 HD2 LYS 14 2.791 -6.966 3.735
417 HD3 LYS 14 HD1 LYS 14 2.503 -5.819 2.430
418 HE2 LYS 14 HE2 LYS 14 4.634 -6.600 1.355
419 HE3 LYS 14 HE1 LYS 14 4.751 -7.844 2.599
420 HZ1 LYS 14 HZ1 LYS 14 2.378 -7.516 0.855
421 HZ2 LYS 14 HZ2 LYS 14 2.743 -8.822 1.879
422 HZ3 LYS 14 HZ3 LYS 14 3.667 -8.553 0.479
423 H SER 15 HN SER 15 6.282 -5.949 7.387
424 HA SER 15 HA SER 15 7.539 -8.442 7.622
425 HB2 SER 15 HB2 SER 15 8.639 -6.338 8.250
426 HB3 SER 15 HB1 SER 15 7.512 -6.137 9.589
427 HG SER 15 HG SER 15 9.747 -7.680 9.392
428 H PHE 16 HN PHE 16 5.170 -6.846 9.747
429 HA PHE 16 HA PHE 16 5.031 -8.813 11.733
430 HB2 PHE 16 HB2 PHE 16 2.879 -6.946 10.707
431 HB3 PHE 16 HB1 PHE 16 2.754 -7.895 12.187
432 HD1 PHE 16 HD1 PHE 16 2.988 -4.721 11.485
433 HD2 PHE 16 HD2 PHE 16 5.556 -7.703 13.207
434 HE1 PHE 16 HE1 PHE 16 4.213 -2.953 12.719
435 HE2 PHE 16 HE2 PHE 16 6.780 -5.935 14.441
436 HZ PHE 16 HZ PHE 16 6.110 -3.560 14.197
437 H GLN 17 HN GLN 17 3.121 -8.440 8.757
438 HA GLN 17 HA GLN 17 1.418 -10.634 9.099
439 HB2 GLN 17 HB2 GLN 17 1.221 -8.848 7.333
440 HB3 GLN 17 HB1 GLN 17 2.525 -9.653 6.460
441 HG2 GLN 17 HG2 GLN 17 0.355 -10.405 5.603
442 HG3 GLN 17 HG1 GLN 17 1.183 -11.737 6.406
443 HE21 GLN 17 HE21 GLN 17 -0.297 -12.928 7.607
444 HE22 GLN 17 HE22 GLN 17 -1.574 -12.268 8.510
445 H1 ALA 1 HT1 ALA 1 -9.245 -12.114 4.840
446 H2 ALA 1 HT2 ALA 1 -9.404 -13.325 6.021
447 H3 ALA 1 HT3 ALA 1 -9.927 -13.612 4.431
448 HA ALA 1 HA ALA 1 -7.672 -14.565 5.222
449 HB1 ALA 1 HB1 ALA 1 -7.169 -14.821 2.997
450 HB2 ALA 1 HB2 ALA 1 -7.395 -13.109 2.641
451 HB3 ALA 1 HB3 ALA 1 -8.796 -14.168 2.801
452 H THR 2 HN THR 2 -5.342 -13.827 4.399
453 HA THR 2 HA THR 2 -4.479 -11.798 6.151
454 HB THR 2 HB THR 2 -2.306 -12.010 4.996
455 HG1 THR 2 HG1 THR 2 -2.222 -13.461 3.226
456 HG21 THR 2 HG21 THR 2 -3.699 -14.675 5.371
457 HG22 THR 2 HG22 THR 2 -3.038 -13.694 6.680
458 HG23 THR 2 HG23 THR 2 -1.963 -14.380 5.461
459 H LEU 3 HN LEU 3 -5.272 -11.766 2.714
460 HA LEU 3 HA LEU 3 -4.260 -9.247 2.030
461 HB2 LEU 3 HB2 LEU 3 -6.705 -10.711 1.007
462 HB3 LEU 3 HB1 LEU 3 -6.003 -9.286 0.240
463 HG LEU 3 HG LEU 3 -4.457 -11.837 0.776
464 HD11 LEU 3 HD11 LEU 3 -6.223 -12.320 -0.826
465 HD12 LEU 3 HD12 LEU 3 -4.692 -12.195 -1.693
466 HD13 LEU 3 HD13 LEU 3 -5.843 -10.859 -1.738
467 HD21 LEU 3 HD21 LEU 3 -3.013 -9.904 0.569
468 HD22 LEU 3 HD22 LEU 3 -3.904 -9.335 -0.842
469 HD23 LEU 3 HD23 LEU 3 -2.930 -10.799 -0.948
470 H GLU 4 HN GLU 4 -7.465 -10.154 3.285
471 HA GLU 4 HA GLU 4 -8.622 -7.605 3.262
472 HB2 GLU 4 HB2 GLU 4 -9.101 -10.014 5.013
473 HB3 GLU 4 HB1 GLU 4 -10.052 -8.537 5.163
474 HG2 GLU 4 HG2 GLU 4 -11.317 -9.822 3.657
475 HG3 GLU 4 HG1 GLU 4 -10.394 -8.761 2.595
476 H LYS 5 HN LYS 5 -6.796 -9.255 5.832
477 HA LYS 5 HA LYS 5 -6.994 -7.266 7.790
478 HB2 LYS 5 HB2 LYS 5 -6.123 -9.510 8.257
479 HB3 LYS 5 HB1 LYS 5 -4.709 -9.181 7.257
480 HG2 LYS 5 HG2 LYS 5 -4.123 -8.833 9.596
481 HG3 LYS 5 HG1 LYS 5 -4.136 -7.275 8.773
482 HD2 LYS 5 HD2 LYS 5 -6.355 -6.779 9.648
483 HD3 LYS 5 HD1 LYS 5 -6.461 -8.383 10.373
484 HE2 LYS 5 HE2 LYS 5 -4.526 -7.861 11.813
485 HE3 LYS 5 HE1 LYS 5 -4.420 -6.257 11.089
486 HZ1 LYS 5 HZ1 LYS 5 -6.484 -5.648 11.988
487 HZ2 LYS 5 HZ2 LYS 5 -5.663 -6.427 13.256
488 HZ3 LYS 5 HZ3 LYS 5 -6.882 -7.245 12.400
489 H LEU 6 HN LEU 6 -4.529 -7.742 5.266
490 HA LEU 6 HA LEU 6 -2.859 -5.597 5.941
491 HB2 LEU 6 HB2 LEU 6 -2.595 -7.503 4.158
492 HB3 LEU 6 HB1 LEU 6 -3.339 -6.327 3.073
493 HG LEU 6 HG LEU 6 -0.988 -5.599 4.822
494 HD11 LEU 6 HD11 LEU 6 -0.263 -7.493 3.473
495 HD12 LEU 6 HD12 LEU 6 0.427 -6.016 2.800
496 HD13 LEU 6 HD13 LEU 6 -0.966 -6.772 2.025
497 HD21 LEU 6 HD21 LEU 6 -2.440 -4.417 2.468
498 HD22 LEU 6 HD22 LEU 6 -0.735 -4.036 2.707
499 HD23 LEU 6 HD23 LEU 6 -1.910 -3.636 3.957
500 H MET 7 HN MET 7 -5.634 -5.715 3.718
501 HA MET 7 HA MET 7 -5.529 -3.065 2.823
502 HB2 MET 7 HB2 MET 7 -7.746 -5.072 3.102
503 HB3 MET 7 HB1 MET 7 -8.096 -3.423 2.581
504 HG2 MET 7 HG2 MET 7 -5.855 -4.912 1.259
505 HG3 MET 7 HG1 MET 7 -7.517 -5.279 0.793
506 HE1 MET 7 HE1 MET 7 -4.753 -3.521 -0.723
507 HE2 MET 7 HE2 MET 7 -4.637 -3.012 0.959
508 HE3 MET 7 HE3 MET 7 -4.912 -1.812 -0.300
509 H LYS 8 HN LYS 8 -7.266 -4.465 5.594
510 HA LYS 8 HA LYS 8 -8.531 -2.133 6.483
511 HB2 LYS 8 HB2 LYS 8 -7.539 -4.557 7.992
512 HB3 LYS 8 HB1 LYS 8 -8.497 -3.278 8.739
513 HG2 LYS 8 HG2 LYS 8 -10.291 -3.651 7.085
514 HG3 LYS 8 HG1 LYS 8 -9.337 -4.936 6.343
515 HD2 LYS 8 HD2 LYS 8 -9.389 -6.217 8.432
516 HD3 LYS 8 HD1 LYS 8 -10.283 -4.920 9.224
517 HE2 LYS 8 HE2 LYS 8 -11.832 -6.679 8.508
518 HE3 LYS 8 HE1 LYS 8 -12.121 -5.210 7.577
519 HZ1 LYS 8 HZ1 LYS 8 -11.858 -7.529 6.414
520 HZ2 LYS 8 HZ2 LYS 8 -10.205 -7.156 6.525
521 HZ3 LYS 8 HZ3 LYS 8 -11.260 -6.115 5.694
522 H ALA 9 HN ALA 9 -5.357 -3.483 7.361
523 HA ALA 9 HA ALA 9 -4.623 -1.553 9.252
524 HB1 ALA 9 HB1 ALA 9 -3.290 -3.511 9.096
525 HB2 ALA 9 HB2 ALA 9 -2.253 -2.189 8.563
526 HB3 ALA 9 HB3 ALA 9 -2.995 -3.261 7.376
527 H PHE 10 HN PHE 10 -4.056 -1.638 5.739
528 HA PHE 10 HA PHE 10 -2.589 0.738 5.529
529 HB2 PHE 10 HB2 PHE 10 -2.874 -0.912 3.688
530 HB3 PHE 10 HB1 PHE 10 -4.540 -0.361 3.494
531 HD1 PHE 10 HD1 PHE 10 -0.983 0.627 3.237
532 HD2 PHE 10 HD2 PHE 10 -5.055 1.772 2.491
533 HE1 PHE 10 HE1 PHE 10 -0.195 2.532 1.860
534 HE2 PHE 10 HE2 PHE 10 -4.266 3.676 1.112
535 HZ PHE 10 HZ PHE 10 -1.836 4.056 0.797
536 H GLU 11 HN GLU 11 -6.101 0.201 5.306
537 HA GLU 11 HA GLU 11 -6.867 2.838 4.762
538 HB2 GLU 11 HB2 GLU 11 -8.286 0.622 6.250
539 HB3 GLU 11 HB1 GLU 11 -9.051 2.157 5.840
540 HG2 GLU 11 HG2 GLU 11 -7.815 0.222 3.858
541 HG3 GLU 11 HG1 GLU 11 -9.542 0.438 4.137
542 H SER 12 HN SER 12 -6.470 1.178 7.886
543 HA SER 12 HA SER 12 -7.251 3.289 9.553
544 HB2 SER 12 HB2 SER 12 -6.894 1.005 10.383
545 HB3 SER 12 HB1 SER 12 -5.169 1.145 10.056
546 HG SER 12 HG SER 12 -5.226 2.994 11.506
547 H LEU 13 HN LEU 13 -4.033 2.424 8.296
548 HA LEU 13 HA LEU 13 -2.556 4.442 9.558
549 HB2 LEU 13 HB2 LEU 13 -1.479 2.596 8.386
550 HB3 LEU 13 HB1 LEU 13 -2.140 3.155 6.849
551 HG LEU 13 HG LEU 13 -0.899 5.299 7.133
552 HD11 LEU 13 HD11 LEU 13 -0.693 5.423 9.524
553 HD12 LEU 13 HD12 LEU 13 0.941 5.262 8.882
554 HD13 LEU 13 HD13 LEU 13 0.132 3.866 9.593
555 HD21 LEU 13 HD21 LEU 13 0.743 2.753 7.267
556 HD22 LEU 13 HD22 LEU 13 1.366 4.318 6.747
557 HD23 LEU 13 HD23 LEU 13 0.107 3.516 5.810
558 H LYS 14 HN LYS 14 -4.172 4.441 6.386
559 HA LYS 14 HA LYS 14 -3.419 7.006 5.559
560 HB2 LYS 14 HB2 LYS 14 -5.890 5.366 4.979
561 HB3 LYS 14 HB1 LYS 14 -5.555 6.905 4.190
562 HG2 LYS 14 HG2 LYS 14 -3.594 4.598 4.192
563 HG3 LYS 14 HG1 LYS 14 -4.789 4.840 2.919
564 HD2 LYS 14 HD2 LYS 14 -2.791 6.966 3.735
565 HD3 LYS 14 HD1 LYS 14 -2.503 5.819 2.430
566 HE2 LYS 14 HE2 LYS 14 -4.634 6.600 1.355
567 HE3 LYS 14 HE1 LYS 14 -4.751 7.844 2.599
568 HZ1 LYS 14 HZ1 LYS 14 -2.378 7.516 0.855
569 HZ2 LYS 14 HZ2 LYS 14 -2.743 8.822 1.879
570 HZ3 LYS 14 HZ3 LYS 14 -3.667 8.553 0.479
571 H SER 15 HN SER 15 -6.282 5.949 7.387
572 HA SER 15 HA SER 15 -7.527 8.448 7.617
573 HB2 SER 15 HB2 SER 15 -8.727 7.502 9.524
574 HB3 SER 15 HB1 SER 15 -8.619 6.312 8.232
575 HG SER 15 HG SER 15 -7.253 6.448 10.685
576 H PHE 16 HN PHE 16 -5.170 6.846 9.747
577 HA PHE 16 HA PHE 16 -5.033 8.812 11.734
578 HB2 PHE 16 HB2 PHE 16 -4.007 6.620 12.019
579 HB3 PHE 16 HB1 PHE 16 -2.868 6.956 10.715
580 HD1 PHE 16 HD1 PHE 16 -3.973 8.108 14.085
581 HD2 PHE 16 HD2 PHE 16 -0.868 8.165 11.118
582 HE1 PHE 16 HE1 PHE 16 -2.449 9.211 15.701
583 HE2 PHE 16 HE2 PHE 16 0.657 9.267 12.734
584 HZ PHE 16 HZ PHE 16 -0.134 9.790 15.026
585 H GLN 17 HN GLN 17 -3.121 8.440 8.757
586 HA GLN 17 HA GLN 17 -1.418 10.634 9.099
587 HB2 GLN 17 HB2 GLN 17 -1.221 8.848 7.333
588 HB3 GLN 17 HB1 GLN 17 -2.525 9.653 6.460
589 HG2 GLN 17 HG2 GLN 17 -0.355 10.405 5.603
590 HG3 GLN 17 HG1 GLN 17 -1.183 11.737 6.406
591 HE21 GLN 17 HE21 GLN 17 0.297 12.928 7.607
592 HE22 GLN 17 HE22 GLN 17 1.574 12.268 8.510
Start of MODEL 7
1 H1 ALA 1 HT1 ALA 1 14.788 6.889 -5.608
2 H2 ALA 1 HT2 ALA 1 14.933 7.083 -3.927
3 H3 ALA 1 HT3 ALA 1 15.374 8.348 -4.972
4 HA ALA 1 HA ALA 1 13.127 8.492 -3.776
5 HB1 ALA 1 HB1 ALA 1 12.136 9.561 -5.797
6 HB2 ALA 1 HB2 ALA 1 13.412 8.837 -6.776
7 HB3 ALA 1 HB3 ALA 1 13.817 10.033 -5.545
8 H THR 2 HN THR 2 13.488 5.658 -4.084
9 HA THR 2 HA THR 2 11.578 4.533 -5.860
10 HB THR 2 HB THR 2 11.836 2.496 -4.485
11 HG1 THR 2 HG1 THR 2 12.719 2.590 -2.557
12 HG21 THR 2 HG21 THR 2 14.255 2.224 -4.825
13 HG22 THR 2 HG22 THR 2 14.437 3.971 -4.984
14 HG23 THR 2 HG23 THR 2 13.529 3.066 -6.194
15 H LEU 3 HN LEU 3 11.437 5.555 -2.473
16 HA LEU 3 HA LEU 3 8.902 4.556 -1.826
17 HB2 LEU 3 HB2 LEU 3 10.518 6.893 -0.840
18 HB3 LEU 3 HB1 LEU 3 8.886 6.607 -0.233
19 HG LEU 3 HG LEU 3 9.645 4.200 0.220
20 HD11 LEU 3 HD11 LEU 3 12.179 4.106 0.625
21 HD12 LEU 3 HD12 LEU 3 12.282 5.551 -0.381
22 HD13 LEU 3 HD13 LEU 3 11.649 4.049 -1.055
23 HD21 LEU 3 HD21 LEU 3 9.323 5.678 2.078
24 HD22 LEU 3 HD22 LEU 3 10.786 6.586 1.695
25 HD23 LEU 3 HD23 LEU 3 10.907 4.939 2.316
26 H GLU 4 HN GLU 4 9.830 7.705 -3.203
27 HA GLU 4 HA GLU 4 7.281 8.851 -3.319
28 HB2 GLU 4 HB2 GLU 4 9.362 10.109 -3.723
29 HB3 GLU 4 HB1 GLU 4 9.590 9.237 -5.239
30 HG2 GLU 4 HG2 GLU 4 7.466 10.130 -6.092
31 HG3 GLU 4 HG1 GLU 4 7.197 10.974 -4.569
32 H LYS 5 HN LYS 5 9.018 6.905 -5.741
33 HA LYS 5 HA LYS 5 7.090 6.991 -7.768
34 HB2 LYS 5 HB2 LYS 5 9.352 6.117 -8.126
35 HB3 LYS 5 HB1 LYS 5 9.004 4.751 -7.066
36 HG2 LYS 5 HG2 LYS 5 8.733 4.054 -9.388
37 HG3 LYS 5 HG1 LYS 5 7.155 4.078 -8.604
38 HD2 LYS 5 HD2 LYS 5 6.626 6.225 -9.603
39 HD3 LYS 5 HD1 LYS 5 8.258 6.365 -10.260
40 HE2 LYS 5 HE2 LYS 5 6.266 4.197 -10.989
41 HE3 LYS 5 HE1 LYS 5 6.641 5.606 -11.981
42 HZ1 LYS 5 HZ1 LYS 5 8.370 3.317 -11.297
43 HZ2 LYS 5 HZ2 LYS 5 9.046 4.802 -11.768
44 HZ3 LYS 5 HZ3 LYS 5 8.014 3.962 -12.824
45 H LEU 6 HN LEU 6 7.501 4.658 -5.113
46 HA LEU 6 HA LEU 6 5.390 2.939 -5.771
47 HB2 LEU 6 HB2 LEU 6 7.047 2.374 -4.067
48 HB3 LEU 6 HB1 LEU 6 6.462 3.682 -3.039
49 HG LEU 6 HG LEU 6 4.370 1.815 -3.967
50 HD11 LEU 6 HD11 LEU 6 6.405 0.345 -3.537
51 HD12 LEU 6 HD12 LEU 6 4.991 -0.012 -2.545
52 HD13 LEU 6 HD13 LEU 6 6.341 0.895 -1.862
53 HD21 LEU 6 HD21 LEU 6 3.853 1.976 -1.468
54 HD22 LEU 6 HD22 LEU 6 3.796 3.496 -2.359
55 HD23 LEU 6 HD23 LEU 6 5.197 3.113 -1.359
56 H MET 7 HN MET 7 5.419 5.822 -3.686
57 HA MET 7 HA MET 7 2.742 5.743 -2.869
58 HB2 MET 7 HB2 MET 7 4.418 7.256 -1.882
59 HB3 MET 7 HB1 MET 7 4.464 8.180 -3.384
60 HG2 MET 7 HG2 MET 7 2.971 9.304 -1.826
61 HG3 MET 7 HG1 MET 7 2.009 8.615 -3.132
62 HE1 MET 7 HE1 MET 7 -0.193 8.709 -1.831
63 HE2 MET 7 HE2 MET 7 0.700 9.550 -0.566
64 HE3 MET 7 HE3 MET 7 -0.373 8.219 -0.141
65 H LYS 8 HN LYS 8 4.221 7.349 -5.680
66 HA LYS 8 HA LYS 8 1.910 8.552 -6.703
67 HB2 LYS 8 HB2 LYS 8 4.387 7.509 -8.084
68 HB3 LYS 8 HB1 LYS 8 3.123 8.412 -8.920
69 HG2 LYS 8 HG2 LYS 8 3.418 10.250 -7.223
70 HG3 LYS 8 HG1 LYS 8 4.813 9.371 -6.595
71 HD2 LYS 8 HD2 LYS 8 4.527 10.221 -9.490
72 HD3 LYS 8 HD1 LYS 8 5.402 11.156 -8.276
73 HE2 LYS 8 HE2 LYS 8 6.860 9.188 -7.846
74 HE3 LYS 8 HE1 LYS 8 6.019 8.310 -9.123
75 HZ1 LYS 8 HZ1 LYS 8 8.083 9.352 -9.895
76 HZ2 LYS 8 HZ2 LYS 8 7.457 10.880 -9.496
77 HZ3 LYS 8 HZ3 LYS 8 6.722 9.949 -10.713
78 H ALA 9 HN ALA 9 3.308 5.348 -7.381
79 HA ALA 9 HA ALA 9 1.444 4.505 -9.294
80 HB1 ALA 9 HB1 ALA 9 3.386 3.181 -9.024
81 HB2 ALA 9 HB2 ALA 9 2.064 2.173 -8.433
82 HB3 ALA 9 HB3 ALA 9 3.120 3.004 -7.290
83 H PHE 10 HN PHE 10 1.418 4.115 -5.757
84 HA PHE 10 HA PHE 10 -0.954 2.643 -5.548
85 HB2 PHE 10 HB2 PHE 10 0.560 2.958 -3.648
86 HB3 PHE 10 HB1 PHE 10 0.171 4.679 -3.609
87 HD1 PHE 10 HD1 PHE 10 -1.292 1.270 -3.270
88 HD2 PHE 10 HD2 PHE 10 -1.807 5.474 -2.551
89 HE1 PHE 10 HE1 PHE 10 -3.298 0.789 -1.895
90 HE2 PHE 10 HE2 PHE 10 -3.812 4.992 -1.174
91 HZ PHE 10 HZ PHE 10 -4.558 2.649 -0.847
92 H GLU 11 HN GLU 11 -0.445 6.164 -5.484
93 HA GLU 11 HA GLU 11 -3.103 6.938 -5.063
94 HB2 GLU 11 HB2 GLU 11 -0.840 8.295 -6.536
95 HB3 GLU 11 HB1 GLU 11 -2.397 9.068 -6.237
96 HG2 GLU 11 HG2 GLU 11 -2.116 8.849 -3.842
97 HG3 GLU 11 HG1 GLU 11 -0.652 7.891 -4.059
98 H SER 12 HN SER 12 -1.340 6.399 -8.109
99 HA SER 12 HA SER 12 -3.400 7.082 -9.880
100 HB2 SER 12 HB2 SER 12 -1.174 5.052 -10.172
101 HB3 SER 12 HB1 SER 12 -2.209 5.584 -11.495
102 HG SER 12 HG SER 12 -1.508 7.764 -10.898
103 H LEU 13 HN LEU 13 -2.559 3.935 -8.438
104 HA LEU 13 HA LEU 13 -4.526 2.384 -9.689
105 HB2 LEU 13 HB2 LEU 13 -2.707 1.383 -8.407
106 HB3 LEU 13 HB1 LEU 13 -3.328 2.103 -6.921
107 HG LEU 13 HG LEU 13 -5.442 0.825 -7.214
108 HD11 LEU 13 HD11 LEU 13 -3.944 -0.260 -9.610
109 HD12 LEU 13 HD12 LEU 13 -5.521 0.528 -9.591
110 HD13 LEU 13 HD13 LEU 13 -5.332 -1.082 -8.897
111 HD21 LEU 13 HD21 LEU 13 -2.830 -0.704 -7.163
112 HD22 LEU 13 HD22 LEU 13 -4.388 -1.463 -6.836
113 HD23 LEU 13 HD23 LEU 13 -3.798 -0.175 -5.787
114 H LYS 14 HN LYS 14 -4.636 4.154 -6.603
115 HA LYS 14 HA LYS 14 -7.221 3.423 -5.820
116 HB2 LYS 14 HB2 LYS 14 -5.636 4.586 -4.341
117 HB3 LYS 14 HB1 LYS 14 -5.777 6.039 -5.329
118 HG2 LYS 14 HG2 LYS 14 -7.246 6.278 -3.413
119 HG3 LYS 14 HG1 LYS 14 -8.244 6.051 -4.849
120 HD2 LYS 14 HD2 LYS 14 -8.563 3.698 -4.318
121 HD3 LYS 14 HD1 LYS 14 -7.444 3.818 -2.960
122 HE2 LYS 14 HE2 LYS 14 -8.948 5.443 -1.864
123 HE3 LYS 14 HE1 LYS 14 -10.070 5.315 -3.220
124 HZ1 LYS 14 HZ1 LYS 14 -10.521 3.082 -2.713
125 HZ2 LYS 14 HZ2 LYS 14 -10.567 3.892 -1.220
126 HZ3 LYS 14 HZ3 LYS 14 -9.210 2.961 -1.643
127 H SER 15 HN SER 15 -6.124 6.201 -7.754
128 HA SER 15 HA SER 15 -8.616 7.425 -8.131
129 HB2 SER 15 HB2 SER 15 -6.197 7.331 -9.948
130 HB3 SER 15 HB1 SER 15 -7.579 8.395 -10.194
131 HG SER 15 HG SER 15 -6.896 9.620 -8.622
132 H PHE 16 HN PHE 16 -6.938 4.968 -10.084
133 HA PHE 16 HA PHE 16 -8.841 4.720 -12.120
134 HB2 PHE 16 HB2 PHE 16 -6.738 2.916 -10.991
135 HB3 PHE 16 HB1 PHE 16 -7.910 2.251 -12.129
136 HD1 PHE 16 HD1 PHE 16 -4.839 4.011 -11.817
137 HD2 PHE 16 HD2 PHE 16 -8.322 3.666 -14.307
138 HE1 PHE 16 HE1 PHE 16 -3.591 5.026 -13.704
139 HE2 PHE 16 HE2 PHE 16 -7.074 4.681 -16.194
140 HZ PHE 16 HZ PHE 16 -4.708 5.361 -15.893
141 H GLN 17 HN GLN 17 -8.550 2.958 -9.044
142 HA GLN 17 HA GLN 17 -10.723 1.221 -9.370
143 HB2 GLN 17 HB2 GLN 17 -9.089 0.980 -7.557
144 HB3 GLN 17 HB1 GLN 17 -9.665 2.479 -6.826
145 HG2 GLN 17 HG2 GLN 17 -11.894 1.496 -6.521
146 HG3 GLN 17 HG1 GLN 17 -11.356 0.006 -7.293
147 HE21 GLN 17 HE21 GLN 17 -12.329 -0.127 -4.659
148 HE22 GLN 17 HE22 GLN 17 -11.042 -0.443 -3.598
149 H1 ALA 1 HT1 ALA 1 -14.788 -6.889 -5.608
150 H2 ALA 1 HT2 ALA 1 -14.933 -7.083 -3.927
151 H3 ALA 1 HT3 ALA 1 -15.374 -8.348 -4.972
152 HA ALA 1 HA ALA 1 -13.127 -8.492 -3.776
153 HB1 ALA 1 HB1 ALA 1 -12.136 -9.561 -5.797
154 HB2 ALA 1 HB2 ALA 1 -13.412 -8.837 -6.776
155 HB3 ALA 1 HB3 ALA 1 -13.817 -10.033 -5.545
156 H THR 2 HN THR 2 -13.488 -5.658 -4.084
157 HA THR 2 HA THR 2 -11.578 -4.533 -5.860
158 HB THR 2 HB THR 2 -11.836 -2.496 -4.485
159 HG1 THR 2 HG1 THR 2 -12.719 -2.590 -2.557
160 HG21 THR 2 HG21 THR 2 -14.255 -2.224 -4.826
161 HG22 THR 2 HG22 THR 2 -14.437 -3.971 -4.984
162 HG23 THR 2 HG23 THR 2 -13.528 -3.065 -6.194
163 H LEU 3 HN LEU 3 -11.437 -5.555 -2.473
164 HA LEU 3 HA LEU 3 -8.902 -4.556 -1.826
165 HB2 LEU 3 HB2 LEU 3 -10.518 -6.893 -0.840
166 HB3 LEU 3 HB1 LEU 3 -8.886 -6.607 -0.233
167 HG LEU 3 HG LEU 3 -9.645 -4.200 0.220
168 HD11 LEU 3 HD11 LEU 3 -12.179 -4.106 0.625
169 HD12 LEU 3 HD12 LEU 3 -12.282 -5.550 -0.381
170 HD13 LEU 3 HD13 LEU 3 -11.649 -4.049 -1.055
171 HD21 LEU 3 HD21 LEU 3 -9.323 -5.678 2.078
172 HD22 LEU 3 HD22 LEU 3 -10.786 -6.586 1.695
173 HD23 LEU 3 HD23 LEU 3 -10.907 -4.939 2.316
174 H GLU 4 HN GLU 4 -9.830 -7.705 -3.203
175 HA GLU 4 HA GLU 4 -7.281 -8.851 -3.319
176 HB2 GLU 4 HB2 GLU 4 -9.362 -10.109 -3.723
177 HB3 GLU 4 HB1 GLU 4 -9.590 -9.237 -5.239
178 HG2 GLU 4 HG2 GLU 4 -7.466 -10.130 -6.092
179 HG3 GLU 4 HG1 GLU 4 -7.197 -10.974 -4.569
180 H LYS 5 HN LYS 5 -9.018 -6.905 -5.741
181 HA LYS 5 HA LYS 5 -7.090 -6.991 -7.768
182 HB2 LYS 5 HB2 LYS 5 -9.352 -6.117 -8.126
183 HB3 LYS 5 HB1 LYS 5 -9.004 -4.751 -7.066
184 HG2 LYS 5 HG2 LYS 5 -8.733 -4.054 -9.388
185 HG3 LYS 5 HG1 LYS 5 -7.155 -4.078 -8.604
186 HD2 LYS 5 HD2 LYS 5 -6.626 -6.225 -9.603
187 HD3 LYS 5 HD1 LYS 5 -8.258 -6.365 -10.260
188 HE2 LYS 5 HE2 LYS 5 -6.266 -4.197 -10.989
189 HE3 LYS 5 HE1 LYS 5 -6.641 -5.606 -11.981
190 HZ1 LYS 5 HZ1 LYS 5 -8.370 -3.317 -11.297
191 HZ2 LYS 5 HZ2 LYS 5 -9.046 -4.802 -11.768
192 HZ3 LYS 5 HZ3 LYS 5 -8.014 -3.962 -12.824
193 H LEU 6 HN LEU 6 -7.501 -4.658 -5.113
194 HA LEU 6 HA LEU 6 -5.390 -2.939 -5.771
195 HB2 LEU 6 HB2 LEU 6 -7.047 -2.374 -4.068
196 HB3 LEU 6 HB1 LEU 6 -6.462 -3.682 -3.039
197 HG LEU 6 HG LEU 6 -4.370 -1.815 -3.967
198 HD11 LEU 6 HD11 LEU 6 -6.405 -0.346 -3.537
199 HD12 LEU 6 HD12 LEU 6 -4.991 0.012 -2.545
200 HD13 LEU 6 HD13 LEU 6 -6.341 -0.895 -1.862
201 HD21 LEU 6 HD21 LEU 6 -3.853 -1.976 -1.468
202 HD22 LEU 6 HD22 LEU 6 -3.796 -3.496 -2.359
203 HD23 LEU 6 HD23 LEU 6 -5.197 -3.113 -1.359
204 H MET 7 HN MET 7 -5.419 -5.822 -3.686
205 HA MET 7 HA MET 7 -2.742 -5.743 -2.869
206 HB2 MET 7 HB2 MET 7 -4.418 -7.256 -1.882
207 HB3 MET 7 HB1 MET 7 -4.464 -8.180 -3.384
208 HG2 MET 7 HG2 MET 7 -2.971 -9.304 -1.826
209 HG3 MET 7 HG1 MET 7 -2.009 -8.615 -3.132
210 HE1 MET 7 HE1 MET 7 0.193 -8.709 -1.831
211 HE2 MET 7 HE2 MET 7 -0.700 -9.550 -0.566
212 HE3 MET 7 HE3 MET 7 0.373 -8.219 -0.141
213 H LYS 8 HN LYS 8 -4.221 -7.349 -5.680
214 HA LYS 8 HA LYS 8 -1.910 -8.552 -6.703
215 HB2 LYS 8 HB2 LYS 8 -4.387 -7.509 -8.084
216 HB3 LYS 8 HB1 LYS 8 -3.123 -8.412 -8.920
217 HG2 LYS 8 HG2 LYS 8 -3.418 -10.250 -7.223
218 HG3 LYS 8 HG1 LYS 8 -4.813 -9.371 -6.595
219 HD2 LYS 8 HD2 LYS 8 -4.527 -10.221 -9.490
220 HD3 LYS 8 HD1 LYS 8 -5.402 -11.156 -8.276
221 HE2 LYS 8 HE2 LYS 8 -6.860 -9.188 -7.846
222 HE3 LYS 8 HE1 LYS 8 -6.019 -8.310 -9.123
223 HZ1 LYS 8 HZ1 LYS 8 -8.083 -9.352 -9.895
224 HZ2 LYS 8 HZ2 LYS 8 -7.457 -10.880 -9.496
225 HZ3 LYS 8 HZ3 LYS 8 -6.722 -9.949 -10.713
226 H ALA 9 HN ALA 9 -3.308 -5.348 -7.381
227 HA ALA 9 HA ALA 9 -1.444 -4.505 -9.294
228 HB1 ALA 9 HB1 ALA 9 -3.387 -3.181 -9.023
229 HB2 ALA 9 HB2 ALA 9 -2.065 -2.173 -8.434
230 HB3 ALA 9 HB3 ALA 9 -3.119 -3.003 -7.289
231 H PHE 10 HN PHE 10 -1.418 -4.115 -5.757
232 HA PHE 10 HA PHE 10 0.954 -2.643 -5.548
233 HB2 PHE 10 HB2 PHE 10 -0.560 -2.958 -3.648
234 HB3 PHE 10 HB1 PHE 10 -0.171 -4.679 -3.609
235 HD1 PHE 10 HD1 PHE 10 1.292 -1.270 -3.270
236 HD2 PHE 10 HD2 PHE 10 1.807 -5.474 -2.551
237 HE1 PHE 10 HE1 PHE 10 3.298 -0.789 -1.895
238 HE2 PHE 10 HE2 PHE 10 3.812 -4.992 -1.174
239 HZ PHE 10 HZ PHE 10 4.558 -2.649 -0.847
240 H GLU 11 HN GLU 11 0.445 -6.164 -5.484
241 HA GLU 11 HA GLU 11 3.103 -6.938 -5.063
242 HB2 GLU 11 HB2 GLU 11 0.840 -8.295 -6.536
243 HB3 GLU 11 HB1 GLU 11 2.397 -9.068 -6.237
244 HG2 GLU 11 HG2 GLU 11 2.116 -8.849 -3.842
245 HG3 GLU 11 HG1 GLU 11 0.652 -7.891 -4.059
246 H SER 12 HN SER 12 1.340 -6.399 -8.109
247 HA SER 12 HA SER 12 3.408 -7.081 -9.870
248 HB2 SER 12 HB2 SER 12 2.211 -5.765 -11.543
249 HB3 SER 12 HB1 SER 12 1.070 -6.703 -10.585
250 HG SER 12 HG SER 12 1.680 -3.947 -10.453
251 H LEU 13 HN LEU 13 2.559 -3.935 -8.438
252 HA LEU 13 HA LEU 13 4.526 -2.384 -9.689
253 HB2 LEU 13 HB2 LEU 13 2.708 -1.383 -8.406
254 HB3 LEU 13 HB1 LEU 13 3.329 -2.103 -6.921
255 HG LEU 13 HG LEU 13 5.442 -0.825 -7.214
256 HD11 LEU 13 HD11 LEU 13 3.945 0.255 -9.612
257 HD12 LEU 13 HD12 LEU 13 5.525 -0.528 -9.590
258 HD13 LEU 13 HD13 LEU 13 5.330 1.083 -8.899
259 HD21 LEU 13 HD21 LEU 13 2.831 0.704 -7.163
260 HD22 LEU 13 HD22 LEU 13 4.388 1.464 -6.837
261 HD23 LEU 13 HD23 LEU 13 3.800 0.176 -5.787
262 H LYS 14 HN LYS 14 4.636 -4.154 -6.603
263 HA LYS 14 HA LYS 14 7.221 -3.423 -5.820
264 HB2 LYS 14 HB2 LYS 14 5.636 -4.586 -4.341
265 HB3 LYS 14 HB1 LYS 14 5.777 -6.039 -5.329
266 HG2 LYS 14 HG2 LYS 14 7.246 -6.278 -3.413
267 HG3 LYS 14 HG1 LYS 14 8.244 -6.051 -4.849
268 HD2 LYS 14 HD2 LYS 14 8.563 -3.698 -4.318
269 HD3 LYS 14 HD1 LYS 14 7.444 -3.818 -2.960
270 HE2 LYS 14 HE2 LYS 14 8.948 -5.443 -1.864
271 HE3 LYS 14 HE1 LYS 14 10.070 -5.315 -3.220
272 HZ1 LYS 14 HZ1 LYS 14 10.521 -3.082 -2.713
273 HZ2 LYS 14 HZ2 LYS 14 10.567 -3.892 -1.220
274 HZ3 LYS 14 HZ3 LYS 14 9.210 -2.961 -1.643
275 H SER 15 HN SER 15 6.124 -6.201 -7.754
276 HA SER 15 HA SER 15 8.616 -7.425 -8.131
277 HB2 SER 15 HB2 SER 15 6.197 -7.331 -9.948
278 HB3 SER 15 HB1 SER 15 7.579 -8.395 -10.194
279 HG SER 15 HG SER 15 7.155 -9.173 -8.025
280 H PHE 16 HN PHE 16 6.938 -4.968 -10.084
281 HA PHE 16 HA PHE 16 8.835 -4.714 -12.126
282 HB2 PHE 16 HB2 PHE 16 6.650 -3.689 -12.318
283 HB3 PHE 16 HB1 PHE 16 6.966 -2.658 -10.923
284 HD1 PHE 16 HD1 PHE 16 8.151 -3.445 -14.374
285 HD2 PHE 16 HD2 PHE 16 8.081 -0.587 -11.168
286 HE1 PHE 16 HE1 PHE 16 9.190 -1.753 -15.860
287 HE2 PHE 16 HE2 PHE 16 9.121 1.105 -12.653
288 HZ PHE 16 HZ PHE 16 9.675 0.522 -14.999
289 H GLN 17 HN GLN 17 8.550 -2.958 -9.044
290 HA GLN 17 HA GLN 17 10.723 -1.221 -9.370
291 HB2 GLN 17 HB2 GLN 17 9.086 -0.986 -7.557
292 HB3 GLN 17 HB1 GLN 17 9.672 -2.479 -6.823
293 HG2 GLN 17 HG2 GLN 17 11.898 -1.482 -6.531
294 HG3 GLN 17 HG1 GLN 17 11.344 0.005 -7.300
295 HE21 GLN 17 HE21 GLN 17 12.331 0.129 -4.662
296 HE22 GLN 17 HE22 GLN 17 11.046 0.441 -3.598
297 H1 ALA 1 HT1 ALA 1 6.889 14.788 5.608
298 H2 ALA 1 HT2 ALA 1 7.083 14.933 3.927
299 H3 ALA 1 HT3 ALA 1 8.348 15.374 4.972
300 HA ALA 1 HA ALA 1 8.492 13.127 3.776
301 HB1 ALA 1 HB1 ALA 1 9.561 12.136 5.797
302 HB2 ALA 1 HB2 ALA 1 8.837 13.412 6.776
303 HB3 ALA 1 HB3 ALA 1 10.033 13.817 5.545
304 H THR 2 HN THR 2 5.658 13.488 4.084
305 HA THR 2 HA THR 2 4.533 11.578 5.860
306 HB THR 2 HB THR 2 2.496 11.836 4.485
307 HG1 THR 2 HG1 THR 2 2.590 12.719 2.557
308 HG21 THR 2 HG21 THR 2 2.224 14.255 4.826
309 HG22 THR 2 HG22 THR 2 3.971 14.437 4.984
310 HG23 THR 2 HG23 THR 2 3.065 13.528 6.194
311 H LEU 3 HN LEU 3 5.555 11.437 2.473
312 HA LEU 3 HA LEU 3 4.556 8.902 1.826
313 HB2 LEU 3 HB2 LEU 3 6.893 10.518 0.840
314 HB3 LEU 3 HB1 LEU 3 6.607 8.886 0.233
315 HG LEU 3 HG LEU 3 4.200 9.645 -0.220
316 HD11 LEU 3 HD11 LEU 3 4.106 12.179 -0.625
317 HD12 LEU 3 HD12 LEU 3 5.550 12.282 0.381
318 HD13 LEU 3 HD13 LEU 3 4.049 11.649 1.055
319 HD21 LEU 3 HD21 LEU 3 5.678 9.323 -2.078
320 HD22 LEU 3 HD22 LEU 3 6.586 10.786 -1.695
321 HD23 LEU 3 HD23 LEU 3 4.939 10.907 -2.316
322 H GLU 4 HN GLU 4 7.705 9.830 3.203
323 HA GLU 4 HA GLU 4 8.851 7.281 3.319
324 HB2 GLU 4 HB2 GLU 4 10.109 9.362 3.723
325 HB3 GLU 4 HB1 GLU 4 9.237 9.590 5.239
326 HG2 GLU 4 HG2 GLU 4 10.130 7.466 6.092
327 HG3 GLU 4 HG1 GLU 4 10.974 7.197 4.569
328 H LYS 5 HN LYS 5 6.905 9.018 5.741
329 HA LYS 5 HA LYS 5 6.991 7.090 7.768
330 HB2 LYS 5 HB2 LYS 5 6.117 9.352 8.126
331 HB3 LYS 5 HB1 LYS 5 4.751 9.004 7.066
332 HG2 LYS 5 HG2 LYS 5 4.054 8.733 9.388
333 HG3 LYS 5 HG1 LYS 5 4.078 7.155 8.604
334 HD2 LYS 5 HD2 LYS 5 6.225 6.626 9.603
335 HD3 LYS 5 HD1 LYS 5 6.365 8.258 10.260
336 HE2 LYS 5 HE2 LYS 5 4.197 6.266 10.989
337 HE3 LYS 5 HE1 LYS 5 5.606 6.641 11.981
338 HZ1 LYS 5 HZ1 LYS 5 3.317 8.370 11.297
339 HZ2 LYS 5 HZ2 LYS 5 4.802 9.046 11.768
340 HZ3 LYS 5 HZ3 LYS 5 3.962 8.014 12.824
341 H LEU 6 HN LEU 6 4.658 7.501 5.113
342 HA LEU 6 HA LEU 6 2.939 5.390 5.771
343 HB2 LEU 6 HB2 LEU 6 2.374 7.047 4.068
344 HB3 LEU 6 HB1 LEU 6 3.682 6.462 3.039
345 HG LEU 6 HG LEU 6 1.815 4.370 3.967
346 HD11 LEU 6 HD11 LEU 6 0.346 6.405 3.537
347 HD12 LEU 6 HD12 LEU 6 -0.012 4.991 2.545
348 HD13 LEU 6 HD13 LEU 6 0.895 6.341 1.862
349 HD21 LEU 6 HD21 LEU 6 1.976 3.853 1.468
350 HD22 LEU 6 HD22 LEU 6 3.496 3.796 2.359
351 HD23 LEU 6 HD23 LEU 6 3.113 5.197 1.359
352 H MET 7 HN MET 7 5.822 5.419 3.686
353 HA MET 7 HA MET 7 5.743 2.742 2.869
354 HB2 MET 7 HB2 MET 7 7.256 4.418 1.882
355 HB3 MET 7 HB1 MET 7 8.180 4.464 3.384
356 HG2 MET 7 HG2 MET 7 9.304 2.971 1.826
357 HG3 MET 7 HG1 MET 7 8.615 2.009 3.132
358 HE1 MET 7 HE1 MET 7 8.709 -0.193 1.831
359 HE2 MET 7 HE2 MET 7 9.550 0.700 0.566
360 HE3 MET 7 HE3 MET 7 8.219 -0.373 0.141
361 H LYS 8 HN LYS 8 7.349 4.221 5.680
362 HA LYS 8 HA LYS 8 8.552 1.910 6.703
363 HB2 LYS 8 HB2 LYS 8 7.509 4.387 8.084
364 HB3 LYS 8 HB1 LYS 8 8.412 3.123 8.920
365 HG2 LYS 8 HG2 LYS 8 10.250 3.418 7.223
366 HG3 LYS 8 HG1 LYS 8 9.371 4.813 6.595
367 HD2 LYS 8 HD2 LYS 8 10.221 4.527 9.490
368 HD3 LYS 8 HD1 LYS 8 11.156 5.402 8.276
369 HE2 LYS 8 HE2 LYS 8 9.188 6.860 7.846
370 HE3 LYS 8 HE1 LYS 8 8.310 6.019 9.123
371 HZ1 LYS 8 HZ1 LYS 8 9.352 8.083 9.895
372 HZ2 LYS 8 HZ2 LYS 8 10.880 7.457 9.496
373 HZ3 LYS 8 HZ3 LYS 8 9.949 6.722 10.713
374 H ALA 9 HN ALA 9 5.348 3.308 7.381
375 HA ALA 9 HA ALA 9 4.505 1.444 9.294
376 HB1 ALA 9 HB1 ALA 9 3.182 3.387 9.023
377 HB2 ALA 9 HB2 ALA 9 2.174 2.065 8.435
378 HB3 ALA 9 HB3 ALA 9 3.003 3.118 7.289
379 H PHE 10 HN PHE 10 4.115 1.418 5.757
380 HA PHE 10 HA PHE 10 2.643 -0.954 5.548
381 HB2 PHE 10 HB2 PHE 10 2.958 0.560 3.648
382 HB3 PHE 10 HB1 PHE 10 4.679 0.171 3.609
383 HD1 PHE 10 HD1 PHE 10 1.270 -1.292 3.270
384 HD2 PHE 10 HD2 PHE 10 5.474 -1.807 2.551
385 HE1 PHE 10 HE1 PHE 10 0.789 -3.298 1.895
386 HE2 PHE 10 HE2 PHE 10 4.992 -3.812 1.174
387 HZ PHE 10 HZ PHE 10 2.649 -4.558 0.847
388 H GLU 11 HN GLU 11 6.164 -0.445 5.484
389 HA GLU 11 HA GLU 11 6.938 -3.103 5.063
390 HB2 GLU 11 HB2 GLU 11 8.295 -0.840 6.536
391 HB3 GLU 11 HB1 GLU 11 9.068 -2.397 6.237
392 HG2 GLU 11 HG2 GLU 11 8.849 -2.116 3.842
393 HG3 GLU 11 HG1 GLU 11 7.891 -0.652 4.059
394 H SER 12 HN SER 12 6.399 -1.340 8.109
395 HA SER 12 HA SER 12 7.082 -3.400 9.880
396 HB2 SER 12 HB2 SER 12 5.054 -1.171 10.169
397 HB3 SER 12 HB1 SER 12 5.583 -2.205 11.493
398 HG SER 12 HG SER 12 7.315 -1.035 11.623
399 H LEU 13 HN LEU 13 3.935 -2.559 8.438
400 HA LEU 13 HA LEU 13 2.384 -4.526 9.689
401 HB2 LEU 13 HB2 LEU 13 1.383 -2.707 8.407
402 HB3 LEU 13 HB1 LEU 13 2.103 -3.328 6.921
403 HG LEU 13 HG LEU 13 0.825 -5.442 7.214
404 HD11 LEU 13 HD11 LEU 13 -0.260 -3.944 9.610
405 HD12 LEU 13 HD12 LEU 13 0.528 -5.521 9.591
406 HD13 LEU 13 HD13 LEU 13 -1.082 -5.332 8.897
407 HD21 LEU 13 HD21 LEU 13 -0.704 -2.830 7.163
408 HD22 LEU 13 HD22 LEU 13 -1.463 -4.388 6.836
409 HD23 LEU 13 HD23 LEU 13 -0.175 -3.798 5.787
410 H LYS 14 HN LYS 14 4.154 -4.636 6.603
411 HA LYS 14 HA LYS 14 3.423 -7.221 5.820
412 HB2 LYS 14 HB2 LYS 14 4.586 -5.636 4.341
413 HB3 LYS 14 HB1 LYS 14 6.039 -5.777 5.329
414 HG2 LYS 14 HG2 LYS 14 6.278 -7.246 3.413
415 HG3 LYS 14 HG1 LYS 14 6.051 -8.244 4.849
416 HD2 LYS 14 HD2 LYS 14 3.698 -8.563 4.318
417 HD3 LYS 14 HD1 LYS 14 3.818 -7.444 2.960
418 HE2 LYS 14 HE2 LYS 14 5.443 -8.948 1.864
419 HE3 LYS 14 HE1 LYS 14 5.315 -10.070 3.220
420 HZ1 LYS 14 HZ1 LYS 14 3.082 -10.521 2.713
421 HZ2 LYS 14 HZ2 LYS 14 3.892 -10.567 1.220
422 HZ3 LYS 14 HZ3 LYS 14 2.961 -9.210 1.643
423 H SER 15 HN SER 15 6.201 -6.124 7.754
424 HA SER 15 HA SER 15 7.426 -8.616 8.131
425 HB2 SER 15 HB2 SER 15 8.510 -6.499 8.748
426 HB3 SER 15 HB1 SER 15 7.319 -6.248 10.021
427 HG SER 15 HG SER 15 8.509 -7.474 11.227
428 H PHE 16 HN PHE 16 4.968 -6.938 10.084
429 HA PHE 16 HA PHE 16 4.717 -8.838 12.122
430 HB2 PHE 16 HB2 PHE 16 3.688 -6.638 12.295
431 HB3 PHE 16 HB1 PHE 16 2.614 -7.007 10.944
432 HD1 PHE 16 HD1 PHE 16 3.546 -8.077 14.394
433 HD2 PHE 16 HD2 PHE 16 0.594 -8.203 11.276
434 HE1 PHE 16 HE1 PHE 16 1.943 -9.146 15.955
435 HE2 PHE 16 HE2 PHE 16 -1.009 -9.271 12.838
436 HZ PHE 16 HZ PHE 16 -0.335 -9.743 15.177
437 H GLN 17 HN GLN 17 2.958 -8.550 9.044
438 HA GLN 17 HA GLN 17 1.221 -10.723 9.370
439 HB2 GLN 17 HB2 GLN 17 0.980 -9.089 7.557
440 HB3 GLN 17 HB1 GLN 17 2.479 -9.665 6.826
441 HG2 GLN 17 HG2 GLN 17 1.496 -11.894 6.521
442 HG3 GLN 17 HG1 GLN 17 0.006 -11.356 7.293
443 HE21 GLN 17 HE21 GLN 17 -0.127 -12.329 4.658
444 HE22 GLN 17 HE22 GLN 17 -0.443 -11.042 3.598
445 H1 ALA 1 HT1 ALA 1 -6.889 -14.788 5.608
446 H2 ALA 1 HT2 ALA 1 -7.083 -14.933 3.927
447 H3 ALA 1 HT3 ALA 1 -8.348 -15.374 4.972
448 HA ALA 1 HA ALA 1 -8.492 -13.127 3.776
449 HB1 ALA 1 HB1 ALA 1 -9.561 -12.136 5.797
450 HB2 ALA 1 HB2 ALA 1 -8.837 -13.412 6.776
451 HB3 ALA 1 HB3 ALA 1 -10.033 -13.817 5.545
452 H THR 2 HN THR 2 -5.658 -13.488 4.084
453 HA THR 2 HA THR 2 -4.533 -11.578 5.860
454 HB THR 2 HB THR 2 -2.496 -11.836 4.485
455 HG1 THR 2 HG1 THR 2 -2.590 -12.719 2.557
456 HG21 THR 2 HG21 THR 2 -2.224 -14.255 4.826
457 HG22 THR 2 HG22 THR 2 -3.971 -14.437 4.984
458 HG23 THR 2 HG23 THR 2 -3.065 -13.528 6.194
459 H LEU 3 HN LEU 3 -5.555 -11.437 2.473
460 HA LEU 3 HA LEU 3 -4.556 -8.902 1.826
461 HB2 LEU 3 HB2 LEU 3 -6.893 -10.518 0.840
462 HB3 LEU 3 HB1 LEU 3 -6.607 -8.886 0.233
463 HG LEU 3 HG LEU 3 -4.200 -9.645 -0.220
464 HD11 LEU 3 HD11 LEU 3 -4.106 -12.179 -0.625
465 HD12 LEU 3 HD12 LEU 3 -5.550 -12.282 0.381
466 HD13 LEU 3 HD13 LEU 3 -4.049 -11.649 1.055
467 HD21 LEU 3 HD21 LEU 3 -5.678 -9.323 -2.078
468 HD22 LEU 3 HD22 LEU 3 -6.586 -10.786 -1.695
469 HD23 LEU 3 HD23 LEU 3 -4.939 -10.907 -2.316
470 H GLU 4 HN GLU 4 -7.705 -9.830 3.203
471 HA GLU 4 HA GLU 4 -8.851 -7.281 3.319
472 HB2 GLU 4 HB2 GLU 4 -10.109 -9.362 3.723
473 HB3 GLU 4 HB1 GLU 4 -9.237 -9.590 5.239
474 HG2 GLU 4 HG2 GLU 4 -10.130 -7.466 6.092
475 HG3 GLU 4 HG1 GLU 4 -10.974 -7.197 4.569
476 H LYS 5 HN LYS 5 -6.905 -9.018 5.741
477 HA LYS 5 HA LYS 5 -6.991 -7.090 7.768
478 HB2 LYS 5 HB2 LYS 5 -6.117 -9.352 8.126
479 HB3 LYS 5 HB1 LYS 5 -4.751 -9.004 7.066
480 HG2 LYS 5 HG2 LYS 5 -4.054 -8.733 9.388
481 HG3 LYS 5 HG1 LYS 5 -4.078 -7.155 8.604
482 HD2 LYS 5 HD2 LYS 5 -6.225 -6.626 9.603
483 HD3 LYS 5 HD1 LYS 5 -6.365 -8.258 10.260
484 HE2 LYS 5 HE2 LYS 5 -4.197 -6.266 10.989
485 HE3 LYS 5 HE1 LYS 5 -5.606 -6.641 11.981
486 HZ1 LYS 5 HZ1 LYS 5 -3.317 -8.370 11.297
487 HZ2 LYS 5 HZ2 LYS 5 -4.802 -9.046 11.768
488 HZ3 LYS 5 HZ3 LYS 5 -3.962 -8.014 12.824
489 H LEU 6 HN LEU 6 -4.658 -7.501 5.113
490 HA LEU 6 HA LEU 6 -2.939 -5.390 5.771
491 HB2 LEU 6 HB2 LEU 6 -2.374 -7.047 4.068
492 HB3 LEU 6 HB1 LEU 6 -3.682 -6.462 3.039
493 HG LEU 6 HG LEU 6 -1.815 -4.370 3.967
494 HD11 LEU 6 HD11 LEU 6 -0.346 -6.405 3.537
495 HD12 LEU 6 HD12 LEU 6 0.012 -4.991 2.545
496 HD13 LEU 6 HD13 LEU 6 -0.895 -6.341 1.862
497 HD21 LEU 6 HD21 LEU 6 -1.976 -3.853 1.468
498 HD22 LEU 6 HD22 LEU 6 -3.496 -3.796 2.359
499 HD23 LEU 6 HD23 LEU 6 -3.113 -5.197 1.359
500 H MET 7 HN MET 7 -5.822 -5.419 3.686
501 HA MET 7 HA MET 7 -5.743 -2.742 2.869
502 HB2 MET 7 HB2 MET 7 -7.256 -4.418 1.882
503 HB3 MET 7 HB1 MET 7 -8.180 -4.464 3.384
504 HG2 MET 7 HG2 MET 7 -9.304 -2.971 1.826
505 HG3 MET 7 HG1 MET 7 -8.615 -2.009 3.132
506 HE1 MET 7 HE1 MET 7 -8.709 0.193 1.831
507 HE2 MET 7 HE2 MET 7 -9.550 -0.700 0.566
508 HE3 MET 7 HE3 MET 7 -8.219 0.373 0.141
509 H LYS 8 HN LYS 8 -7.349 -4.221 5.680
510 HA LYS 8 HA LYS 8 -8.552 -1.910 6.703
511 HB2 LYS 8 HB2 LYS 8 -7.509 -4.387 8.084
512 HB3 LYS 8 HB1 LYS 8 -8.412 -3.123 8.920
513 HG2 LYS 8 HG2 LYS 8 -10.250 -3.418 7.223
514 HG3 LYS 8 HG1 LYS 8 -9.371 -4.813 6.595
515 HD2 LYS 8 HD2 LYS 8 -10.221 -4.527 9.490
516 HD3 LYS 8 HD1 LYS 8 -11.156 -5.402 8.276
517 HE2 LYS 8 HE2 LYS 8 -9.188 -6.860 7.846
518 HE3 LYS 8 HE1 LYS 8 -8.310 -6.019 9.123
519 HZ1 LYS 8 HZ1 LYS 8 -9.352 -8.083 9.895
520 HZ2 LYS 8 HZ2 LYS 8 -10.880 -7.457 9.496
521 HZ3 LYS 8 HZ3 LYS 8 -9.949 -6.722 10.713
522 H ALA 9 HN ALA 9 -5.348 -3.308 7.381
523 HA ALA 9 HA ALA 9 -4.505 -1.444 9.294
524 HB1 ALA 9 HB1 ALA 9 -3.181 -3.387 9.023
525 HB2 ALA 9 HB2 ALA 9 -2.173 -2.065 8.434
526 HB3 ALA 9 HB3 ALA 9 -3.003 -3.119 7.289
527 H PHE 10 HN PHE 10 -4.115 -1.418 5.757
528 HA PHE 10 HA PHE 10 -2.643 0.954 5.548
529 HB2 PHE 10 HB2 PHE 10 -2.958 -0.560 3.648
530 HB3 PHE 10 HB1 PHE 10 -4.679 -0.171 3.609
531 HD1 PHE 10 HD1 PHE 10 -1.270 1.292 3.270
532 HD2 PHE 10 HD2 PHE 10 -5.474 1.807 2.551
533 HE1 PHE 10 HE1 PHE 10 -0.789 3.298 1.895
534 HE2 PHE 10 HE2 PHE 10 -4.992 3.812 1.174
535 HZ PHE 10 HZ PHE 10 -2.649 4.558 0.847
536 H GLU 11 HN GLU 11 -6.164 0.445 5.484
537 HA GLU 11 HA GLU 11 -6.938 3.103 5.063
538 HB2 GLU 11 HB2 GLU 11 -8.295 0.840 6.536
539 HB3 GLU 11 HB1 GLU 11 -9.068 2.397 6.237
540 HG2 GLU 11 HG2 GLU 11 -8.849 2.116 3.842
541 HG3 GLU 11 HG1 GLU 11 -7.891 0.652 4.059
542 H SER 12 HN SER 12 -6.399 1.340 8.109
543 HA SER 12 HA SER 12 -7.081 3.408 9.870
544 HB2 SER 12 HB2 SER 12 -5.765 2.211 11.544
545 HB3 SER 12 HB1 SER 12 -6.703 1.070 10.585
546 HG SER 12 HG SER 12 -3.952 1.577 10.619
547 H LEU 13 HN LEU 13 -3.935 2.559 8.438
548 HA LEU 13 HA LEU 13 -2.386 4.526 9.689
549 HB2 LEU 13 HB2 LEU 13 -1.381 2.708 8.412
550 HB3 LEU 13 HB1 LEU 13 -2.101 3.324 6.924
551 HG LEU 13 HG LEU 13 -0.824 5.441 7.215
552 HD11 LEU 13 HD11 LEU 13 0.266 3.943 9.609
553 HD12 LEU 13 HD12 LEU 13 -0.524 5.520 9.593
554 HD13 LEU 13 HD13 LEU 13 1.085 5.333 8.895
555 HD21 LEU 13 HD21 LEU 13 0.705 2.829 7.163
556 HD22 LEU 13 HD22 LEU 13 1.463 4.387 6.834
557 HD23 LEU 13 HD23 LEU 13 0.174 3.796 5.787
558 H LYS 14 HN LYS 14 -4.154 4.636 6.603
559 HA LYS 14 HA LYS 14 -3.423 7.221 5.820
560 HB2 LYS 14 HB2 LYS 14 -4.586 5.636 4.341
561 HB3 LYS 14 HB1 LYS 14 -6.039 5.777 5.329
562 HG2 LYS 14 HG2 LYS 14 -6.278 7.246 3.413
563 HG3 LYS 14 HG1 LYS 14 -6.051 8.244 4.849
564 HD2 LYS 14 HD2 LYS 14 -3.698 8.563 4.318
565 HD3 LYS 14 HD1 LYS 14 -3.818 7.444 2.960
566 HE2 LYS 14 HE2 LYS 14 -5.443 8.948 1.864
567 HE3 LYS 14 HE1 LYS 14 -5.315 10.070 3.220
568 HZ1 LYS 14 HZ1 LYS 14 -3.082 10.521 2.713
569 HZ2 LYS 14 HZ2 LYS 14 -3.892 10.567 1.220
570 HZ3 LYS 14 HZ3 LYS 14 -2.961 9.210 1.643
571 H SER 15 HN SER 15 -6.201 6.124 7.754
572 HA SER 15 HA SER 15 -7.414 8.621 8.127
573 HB2 SER 15 HB2 SER 15 -8.521 7.624 10.062
574 HB3 SER 15 HB1 SER 15 -8.490 6.476 8.727
575 HG SER 15 HG SER 15 -6.966 6.533 11.095
576 H PHE 16 HN PHE 16 -4.968 6.938 10.084
577 HA PHE 16 HA PHE 16 -4.715 8.835 12.126
578 HB2 PHE 16 HB2 PHE 16 -3.688 6.656 12.329
579 HB3 PHE 16 HB1 PHE 16 -2.664 6.960 10.925
580 HD1 PHE 16 HD1 PHE 16 -3.430 8.175 14.371
581 HD2 PHE 16 HD2 PHE 16 -0.589 8.072 11.151
582 HE1 PHE 16 HE1 PHE 16 -1.728 9.224 15.839
583 HE2 PHE 16 HE2 PHE 16 1.113 9.121 12.619
584 HZ PHE 16 HZ PHE 16 0.543 9.697 14.963
585 H GLN 17 HN GLN 17 -2.958 8.550 9.044
586 HA GLN 17 HA GLN 17 -1.221 10.723 9.370
587 HB2 GLN 17 HB2 GLN 17 -0.981 9.089 7.558
588 HB3 GLN 17 HB1 GLN 17 -2.479 9.665 6.826
589 HG2 GLN 17 HG2 GLN 17 -1.496 11.894 6.521
590 HG3 GLN 17 HG1 GLN 17 -0.006 11.356 7.293
591 HE21 GLN 17 HE21 GLN 17 0.128 12.328 4.658
592 HE22 GLN 17 HE22 GLN 17 0.443 11.041 3.598
Start of MODEL 8
1 H1 ALA 1 HT1 ALA 1 13.792 8.392 -3.436
2 H2 ALA 1 HT2 ALA 1 14.104 6.726 -3.311
3 H3 ALA 1 HT3 ALA 1 12.542 7.325 -3.017
4 HA ALA 1 HA ALA 1 12.692 8.203 -5.427
5 HB1 ALA 1 HB1 ALA 1 15.033 7.673 -5.790
6 HB2 ALA 1 HB2 ALA 1 14.060 6.623 -6.821
7 HB3 ALA 1 HB3 ALA 1 14.763 5.991 -5.333
8 H THR 2 HN THR 2 13.057 4.933 -4.041
9 HA THR 2 HA THR 2 11.061 3.725 -5.656
10 HB THR 2 HB THR 2 11.157 1.887 -4.006
11 HG1 THR 2 HG1 THR 2 12.552 2.173 -2.222
12 HG21 THR 2 HG21 THR 2 12.928 2.245 -5.785
13 HG22 THR 2 HG22 THR 2 13.450 1.297 -4.393
14 HG23 THR 2 HG23 THR 2 13.924 2.990 -4.535
15 H LEU 3 HN LEU 3 10.996 5.188 -2.428
16 HA LEU 3 HA LEU 3 8.381 4.500 -1.705
17 HB2 LEU 3 HB2 LEU 3 10.193 6.785 -0.981
18 HB3 LEU 3 HB1 LEU 3 8.536 6.731 -0.379
19 HG LEU 3 HG LEU 3 9.078 4.317 0.356
20 HD11 LEU 3 HD11 LEU 3 11.571 4.086 0.883
21 HD12 LEU 3 HD12 LEU 3 11.831 5.424 -0.237
22 HD13 LEU 3 HD13 LEU 3 11.122 3.916 -0.814
23 HD21 LEU 3 HD21 LEU 3 10.300 5.206 2.417
24 HD22 LEU 3 HD22 LEU 3 8.784 6.015 2.019
25 HD23 LEU 3 HD23 LEU 3 10.323 6.776 1.613
26 H GLU 4 HN GLU 4 9.588 7.361 -3.442
27 HA GLU 4 HA GLU 4 7.147 8.698 -3.742
28 HB2 GLU 4 HB2 GLU 4 9.617 8.640 -5.482
29 HB3 GLU 4 HB1 GLU 4 8.252 9.717 -5.780
30 HG2 GLU 4 HG2 GLU 4 8.518 10.755 -3.608
31 HG3 GLU 4 HG1 GLU 4 9.754 9.585 -3.153
32 H LYS 5 HN LYS 5 8.720 6.324 -5.875
33 HA LYS 5 HA LYS 5 6.818 6.322 -7.928
34 HB2 LYS 5 HB2 LYS 5 9.000 5.214 -8.127
35 HB3 LYS 5 HB1 LYS 5 8.509 4.020 -6.925
36 HG2 LYS 5 HG2 LYS 5 6.731 3.216 -8.368
37 HG3 LYS 5 HG1 LYS 5 7.048 4.498 -9.537
38 HD2 LYS 5 HD2 LYS 5 8.105 2.488 -10.359
39 HD3 LYS 5 HD1 LYS 5 9.380 3.570 -9.798
40 HE2 LYS 5 HE2 LYS 5 9.519 2.358 -7.677
41 HE3 LYS 5 HE1 LYS 5 8.184 1.313 -8.163
42 HZ1 LYS 5 HZ1 LYS 5 9.669 0.819 -10.184
43 HZ2 LYS 5 HZ2 LYS 5 10.038 0.076 -8.701
44 HZ3 LYS 5 HZ3 LYS 5 10.931 1.423 -9.225
45 H LEU 6 HN LEU 6 7.011 4.310 -4.998
46 HA LEU 6 HA LEU 6 4.762 2.714 -5.476
47 HB2 LEU 6 HB2 LEU 6 6.355 2.222 -3.688
48 HB3 LEU 6 HB1 LEU 6 5.878 3.690 -2.836
49 HG LEU 6 HG LEU 6 3.571 2.821 -2.635
50 HD11 LEU 6 HD11 LEU 6 3.393 1.431 -4.584
51 HD12 LEU 6 HD12 LEU 6 3.257 0.359 -3.192
52 HD13 LEU 6 HD13 LEU 6 4.772 0.452 -4.089
53 HD21 LEU 6 HD21 LEU 6 4.033 1.197 -0.927
54 HD22 LEU 6 HD22 LEU 6 5.395 2.317 -0.931
55 HD23 LEU 6 HD23 LEU 6 5.553 0.733 -1.691
56 H MET 7 HN MET 7 5.031 5.819 -3.759
57 HA MET 7 HA MET 7 2.354 6.071 -2.982
58 HB2 MET 7 HB2 MET 7 4.161 7.540 -2.166
59 HB3 MET 7 HB1 MET 7 4.279 8.272 -3.767
60 HG2 MET 7 HG2 MET 7 2.895 9.692 -2.354
61 HG3 MET 7 HG1 MET 7 1.877 8.947 -3.585
62 HE1 MET 7 HE1 MET 7 -0.527 9.106 -0.583
63 HE2 MET 7 HE2 MET 7 -0.303 9.403 -2.305
64 HE3 MET 7 HE3 MET 7 0.676 10.282 -1.133
65 H LYS 8 HN LYS 8 3.981 7.184 -5.946
66 HA LYS 8 HA LYS 8 1.790 8.443 -7.146
67 HB2 LYS 8 HB2 LYS 8 4.170 7.021 -8.350
68 HB3 LYS 8 HB1 LYS 8 3.001 7.934 -9.306
69 HG2 LYS 8 HG2 LYS 8 3.474 9.951 -7.967
70 HG3 LYS 8 HG1 LYS 8 4.644 9.043 -7.010
71 HD2 LYS 8 HD2 LYS 8 5.976 8.608 -9.040
72 HD3 LYS 8 HD1 LYS 8 4.807 9.512 -10.002
73 HE2 LYS 8 HE2 LYS 8 5.272 11.538 -8.676
74 HE3 LYS 8 HE1 LYS 8 6.436 10.638 -7.704
75 HZ1 LYS 8 HZ1 LYS 8 7.617 11.805 -9.390
76 HZ2 LYS 8 HZ2 LYS 8 6.594 11.213 -10.611
77 HZ3 LYS 8 HZ3 LYS 8 7.647 10.158 -9.797
78 H ALA 9 HN ALA 9 2.904 5.073 -7.400
79 HA ALA 9 HA ALA 9 0.986 4.162 -9.224
80 HB1 ALA 9 HB1 ALA 9 2.299 2.651 -6.953
81 HB2 ALA 9 HB2 ALA 9 2.949 2.837 -8.582
82 HB3 ALA 9 HB3 ALA 9 1.466 1.919 -8.324
83 H PHE 10 HN PHE 10 0.906 4.218 -5.666
84 HA PHE 10 HA PHE 10 -1.585 2.992 -5.309
85 HB2 PHE 10 HB2 PHE 10 0.333 4.064 -3.656
86 HB3 PHE 10 HB1 PHE 10 -1.017 5.178 -3.436
87 HD1 PHE 10 HD1 PHE 10 0.280 1.875 -2.733
88 HD2 PHE 10 HD2 PHE 10 -3.298 4.244 -2.844
89 HE1 PHE 10 HE1 PHE 10 -0.869 0.204 -1.306
90 HE2 PHE 10 HE2 PHE 10 -4.448 2.575 -1.414
91 HZ PHE 10 HZ PHE 10 -3.233 0.555 -0.645
92 H GLU 11 HN GLU 11 -0.772 6.438 -5.679
93 HA GLU 11 HA GLU 11 -3.356 7.481 -5.400
94 HB2 GLU 11 HB2 GLU 11 -0.982 8.453 -7.001
95 HB3 GLU 11 HB1 GLU 11 -2.464 9.388 -6.802
96 HG2 GLU 11 HG2 GLU 11 -0.709 8.375 -4.545
97 HG3 GLU 11 HG1 GLU 11 -0.768 10.038 -5.126
98 H SER 12 HN SER 12 -1.630 6.420 -8.326
99 HA SER 12 HA SER 12 -3.614 7.051 -10.200
100 HB2 SER 12 HB2 SER 12 -1.571 4.818 -10.203
101 HB3 SER 12 HB1 SER 12 -2.549 5.267 -11.597
102 HG SER 12 HG SER 12 -1.667 7.441 -11.251
103 H LEU 13 HN LEU 13 -3.057 4.049 -8.367
104 HA LEU 13 HA LEU 13 -5.149 2.536 -9.453
105 HB2 LEU 13 HB2 LEU 13 -3.424 1.541 -8.041
106 HB3 LEU 13 HB1 LEU 13 -3.997 2.468 -6.654
107 HG LEU 13 HG LEU 13 -6.083 0.896 -8.034
108 HD11 LEU 13 HD11 LEU 13 -4.193 -0.672 -8.205
109 HD12 LEU 13 HD12 LEU 13 -5.352 -1.234 -7.001
110 HD13 LEU 13 HD13 LEU 13 -3.852 -0.462 -6.487
111 HD21 LEU 13 HD21 LEU 13 -5.190 1.392 -5.183
112 HD22 LEU 13 HD22 LEU 13 -6.515 0.299 -5.586
113 HD23 LEU 13 HD23 LEU 13 -6.633 2.013 -5.986
114 H LYS 14 HN LYS 14 -5.117 4.672 -6.606
115 HA LYS 14 HA LYS 14 -7.757 4.278 -5.762
116 HB2 LYS 14 HB2 LYS 14 -5.893 6.643 -5.589
117 HB3 LYS 14 HB1 LYS 14 -7.512 6.683 -4.896
118 HG2 LYS 14 HG2 LYS 14 -7.012 4.839 -3.429
119 HG3 LYS 14 HG1 LYS 14 -5.469 4.548 -4.239
120 HD2 LYS 14 HD2 LYS 14 -4.557 6.615 -3.450
121 HD3 LYS 14 HD1 LYS 14 -6.133 7.177 -2.896
122 HE2 LYS 14 HE2 LYS 14 -6.186 5.571 -1.130
123 HE3 LYS 14 HE1 LYS 14 -4.797 4.705 -1.779
124 HZ1 LYS 14 HZ1 LYS 14 -4.871 7.361 -0.488
125 HZ2 LYS 14 HZ2 LYS 14 -3.568 6.893 -1.472
126 HZ3 LYS 14 HZ3 LYS 14 -3.936 6.009 -0.069
127 H SER 15 HN SER 15 -6.414 6.680 -8.025
128 HA SER 15 HA SER 15 -8.787 8.058 -8.591
129 HB2 SER 15 HB2 SER 15 -6.580 8.869 -9.302
130 HB3 SER 15 HB1 SER 15 -6.429 7.511 -10.414
131 HG SER 15 HG SER 15 -7.754 9.858 -10.703
132 H PHE 16 HN PHE 16 -7.322 5.240 -10.198
133 HA PHE 16 HA PHE 16 -9.230 4.903 -12.218
134 HB2 PHE 16 HB2 PHE 16 -7.575 2.829 -10.759
135 HB3 PHE 16 HB1 PHE 16 -8.480 2.524 -12.241
136 HD1 PHE 16 HD1 PHE 16 -5.316 2.663 -11.428
137 HD2 PHE 16 HD2 PHE 16 -8.038 5.075 -13.714
138 HE1 PHE 16 HE1 PHE 16 -3.420 3.541 -12.760
139 HE2 PHE 16 HE2 PHE 16 -6.140 5.954 -15.045
140 HZ PHE 16 HZ PHE 16 -3.831 5.186 -14.569
141 H GLN 17 HN GLN 17 -9.108 3.522 -8.944
142 HA GLN 17 HA GLN 17 -11.422 1.954 -9.088
143 HB2 GLN 17 HB2 GLN 17 -9.791 1.837 -7.236
144 HB3 GLN 17 HB1 GLN 17 -10.325 3.423 -6.679
145 HG2 GLN 17 HG2 GLN 17 -12.593 2.565 -6.329
146 HG3 GLN 17 HG1 GLN 17 -12.109 0.986 -6.946
147 HE21 GLN 17 HE21 GLN 17 -13.094 0.832 -4.438
148 HE22 GLN 17 HE22 GLN 17 -11.863 0.694 -3.278
149 H1 ALA 1 HT1 ALA 1 -13.792 -8.392 -3.436
150 H2 ALA 1 HT2 ALA 1 -14.104 -6.726 -3.311
151 H3 ALA 1 HT3 ALA 1 -12.542 -7.325 -3.017
152 HA ALA 1 HA ALA 1 -12.692 -8.203 -5.427
153 HB1 ALA 1 HB1 ALA 1 -15.033 -7.673 -5.790
154 HB2 ALA 1 HB2 ALA 1 -14.060 -6.623 -6.821
155 HB3 ALA 1 HB3 ALA 1 -14.763 -5.991 -5.333
156 H THR 2 HN THR 2 -13.057 -4.933 -4.041
157 HA THR 2 HA THR 2 -11.061 -3.725 -5.656
158 HB THR 2 HB THR 2 -11.157 -1.887 -4.006
159 HG1 THR 2 HG1 THR 2 -12.552 -2.173 -2.222
160 HG21 THR 2 HG21 THR 2 -12.928 -2.245 -5.785
161 HG22 THR 2 HG22 THR 2 -13.450 -1.297 -4.393
162 HG23 THR 2 HG23 THR 2 -13.924 -2.990 -4.535
163 H LEU 3 HN LEU 3 -10.996 -5.188 -2.428
164 HA LEU 3 HA LEU 3 -8.381 -4.500 -1.705
165 HB2 LEU 3 HB2 LEU 3 -10.193 -6.785 -0.981
166 HB3 LEU 3 HB1 LEU 3 -8.536 -6.731 -0.379
167 HG LEU 3 HG LEU 3 -9.078 -4.317 0.356
168 HD11 LEU 3 HD11 LEU 3 -11.571 -4.086 0.883
169 HD12 LEU 3 HD12 LEU 3 -11.831 -5.424 -0.237
170 HD13 LEU 3 HD13 LEU 3 -11.122 -3.916 -0.814
171 HD21 LEU 3 HD21 LEU 3 -10.300 -5.206 2.417
172 HD22 LEU 3 HD22 LEU 3 -8.784 -6.015 2.019
173 HD23 LEU 3 HD23 LEU 3 -10.323 -6.776 1.613
174 H GLU 4 HN GLU 4 -9.588 -7.361 -3.442
175 HA GLU 4 HA GLU 4 -7.147 -8.698 -3.742
176 HB2 GLU 4 HB2 GLU 4 -9.617 -8.640 -5.482
177 HB3 GLU 4 HB1 GLU 4 -8.252 -9.717 -5.780
178 HG2 GLU 4 HG2 GLU 4 -8.518 -10.755 -3.608
179 HG3 GLU 4 HG1 GLU 4 -9.754 -9.585 -3.153
180 H LYS 5 HN LYS 5 -8.720 -6.324 -5.875
181 HA LYS 5 HA LYS 5 -6.818 -6.322 -7.928
182 HB2 LYS 5 HB2 LYS 5 -9.000 -5.214 -8.127
183 HB3 LYS 5 HB1 LYS 5 -8.509 -4.020 -6.925
184 HG2 LYS 5 HG2 LYS 5 -6.731 -3.216 -8.368
185 HG3 LYS 5 HG1 LYS 5 -7.048 -4.498 -9.537
186 HD2 LYS 5 HD2 LYS 5 -8.105 -2.488 -10.359
187 HD3 LYS 5 HD1 LYS 5 -9.380 -3.570 -9.798
188 HE2 LYS 5 HE2 LYS 5 -9.519 -2.358 -7.677
189 HE3 LYS 5 HE1 LYS 5 -8.184 -1.313 -8.163
190 HZ1 LYS 5 HZ1 LYS 5 -9.669 -0.819 -10.184
191 HZ2 LYS 5 HZ2 LYS 5 -10.038 -0.076 -8.701
192 HZ3 LYS 5 HZ3 LYS 5 -10.931 -1.423 -9.225
193 H LEU 6 HN LEU 6 -7.011 -4.310 -4.998
194 HA LEU 6 HA LEU 6 -4.762 -2.715 -5.477
195 HB2 LEU 6 HB2 LEU 6 -6.355 -2.221 -3.689
196 HB3 LEU 6 HB1 LEU 6 -5.878 -3.689 -2.836
197 HG LEU 6 HG LEU 6 -3.570 -2.820 -2.636
198 HD11 LEU 6 HD11 LEU 6 -3.400 -1.429 -4.589
199 HD12 LEU 6 HD12 LEU 6 -3.249 -0.362 -3.194
200 HD13 LEU 6 HD13 LEU 6 -4.771 -0.445 -4.082
201 HD21 LEU 6 HD21 LEU 6 -4.031 -1.197 -0.928
202 HD22 LEU 6 HD22 LEU 6 -5.395 -2.314 -0.932
203 HD23 LEU 6 HD23 LEU 6 -5.549 -0.730 -1.693
204 H MET 7 HN MET 7 -5.031 -5.819 -3.759
205 HA MET 7 HA MET 7 -2.354 -6.071 -2.982
206 HB2 MET 7 HB2 MET 7 -4.161 -7.540 -2.166
207 HB3 MET 7 HB1 MET 7 -4.279 -8.272 -3.767
208 HG2 MET 7 HG2 MET 7 -2.895 -9.692 -2.354
209 HG3 MET 7 HG1 MET 7 -1.877 -8.947 -3.585
210 HE1 MET 7 HE1 MET 7 0.527 -9.106 -0.583
211 HE2 MET 7 HE2 MET 7 0.303 -9.403 -2.305
212 HE3 MET 7 HE3 MET 7 -0.676 -10.282 -1.133
213 H LYS 8 HN LYS 8 -3.981 -7.184 -5.946
214 HA LYS 8 HA LYS 8 -1.790 -8.443 -7.146
215 HB2 LYS 8 HB2 LYS 8 -4.170 -7.021 -8.350
216 HB3 LYS 8 HB1 LYS 8 -3.001 -7.934 -9.306
217 HG2 LYS 8 HG2 LYS 8 -3.474 -9.951 -7.967
218 HG3 LYS 8 HG1 LYS 8 -4.644 -9.043 -7.010
219 HD2 LYS 8 HD2 LYS 8 -5.976 -8.608 -9.040
220 HD3 LYS 8 HD1 LYS 8 -4.807 -9.512 -10.002
221 HE2 LYS 8 HE2 LYS 8 -5.272 -11.538 -8.676
222 HE3 LYS 8 HE1 LYS 8 -6.436 -10.638 -7.704
223 HZ1 LYS 8 HZ1 LYS 8 -7.617 -11.805 -9.390
224 HZ2 LYS 8 HZ2 LYS 8 -6.594 -11.213 -10.611
225 HZ3 LYS 8 HZ3 LYS 8 -7.647 -10.158 -9.797
226 H ALA 9 HN ALA 9 -2.904 -5.073 -7.400
227 HA ALA 9 HA ALA 9 -0.986 -4.162 -9.224
228 HB1 ALA 9 HB1 ALA 9 -2.299 -2.651 -6.953
229 HB2 ALA 9 HB2 ALA 9 -2.949 -2.837 -8.582
230 HB3 ALA 9 HB3 ALA 9 -1.466 -1.919 -8.324
231 H PHE 10 HN PHE 10 -0.906 -4.218 -5.666
232 HA PHE 10 HA PHE 10 1.585 -2.992 -5.310
233 HB2 PHE 10 HB2 PHE 10 -0.332 -4.059 -3.656
234 HB3 PHE 10 HB1 PHE 10 1.015 -5.175 -3.434
235 HD1 PHE 10 HD1 PHE 10 -0.348 -2.023 -2.497
236 HD2 PHE 10 HD2 PHE 10 3.370 -4.089 -3.083
237 HE1 PHE 10 HE1 PHE 10 0.805 -0.353 -1.070
238 HE2 PHE 10 HE2 PHE 10 4.523 -2.422 -1.655
239 HZ PHE 10 HZ PHE 10 3.240 -0.554 -0.648
240 H GLU 11 HN GLU 11 0.772 -6.438 -5.679
241 HA GLU 11 HA GLU 11 3.356 -7.481 -5.400
242 HB2 GLU 11 HB2 GLU 11 0.982 -8.453 -7.001
243 HB3 GLU 11 HB1 GLU 11 2.464 -9.388 -6.802
244 HG2 GLU 11 HG2 GLU 11 0.709 -8.375 -4.545
245 HG3 GLU 11 HG1 GLU 11 0.768 -10.038 -5.126
246 H SER 12 HN SER 12 1.630 -6.420 -8.326
247 HA SER 12 HA SER 12 3.621 -7.052 -10.191
248 HB2 SER 12 HB2 SER 12 2.529 -5.451 -11.673
249 HB3 SER 12 HB1 SER 12 1.311 -6.377 -10.804
250 HG SER 12 HG SER 12 2.225 -3.742 -10.301
251 H LEU 13 HN LEU 13 3.057 -4.049 -8.367
252 HA LEU 13 HA LEU 13 5.149 -2.536 -9.453
253 HB2 LEU 13 HB2 LEU 13 3.424 -1.541 -8.040
254 HB3 LEU 13 HB1 LEU 13 3.997 -2.468 -6.653
255 HG LEU 13 HG LEU 13 6.083 -0.897 -8.034
256 HD11 LEU 13 HD11 LEU 13 4.192 0.671 -8.205
257 HD12 LEU 13 HD12 LEU 13 5.352 1.234 -7.002
258 HD13 LEU 13 HD13 LEU 13 3.852 0.461 -6.487
259 HD21 LEU 13 HD21 LEU 13 5.191 -1.392 -5.182
260 HD22 LEU 13 HD22 LEU 13 6.515 -0.299 -5.586
261 HD23 LEU 13 HD23 LEU 13 6.633 -2.012 -5.986
262 H LYS 14 HN LYS 14 5.117 -4.672 -6.606
263 HA LYS 14 HA LYS 14 7.757 -4.278 -5.760
264 HB2 LYS 14 HB2 LYS 14 5.900 -6.652 -5.597
265 HB3 LYS 14 HB1 LYS 14 7.512 -6.675 -4.886
266 HG2 LYS 14 HG2 LYS 14 6.976 -4.825 -3.437
267 HG3 LYS 14 HG1 LYS 14 5.434 -4.564 -4.257
268 HD2 LYS 14 HD2 LYS 14 4.561 -6.655 -3.469
269 HD3 LYS 14 HD1 LYS 14 6.143 -7.166 -2.880
270 HE2 LYS 14 HE2 LYS 14 6.122 -5.498 -1.151
271 HE3 LYS 14 HE1 LYS 14 4.683 -4.735 -1.821
272 HZ1 LYS 14 HZ1 LYS 14 4.909 -7.378 -0.510
273 HZ2 LYS 14 HZ2 LYS 14 3.564 -6.951 -1.456
274 HZ3 LYS 14 HZ3 LYS 14 3.938 -6.063 -0.057
275 H SER 15 HN SER 15 6.414 -6.680 -8.025
276 HA SER 15 HA SER 15 8.787 -8.058 -8.591
277 HB2 SER 15 HB2 SER 15 6.376 -7.528 -10.343
278 HB3 SER 15 HB1 SER 15 7.658 -8.669 -10.740
279 HG SER 15 HG SER 15 5.884 -8.706 -8.527
280 H PHE 16 HN PHE 16 7.322 -5.240 -10.198
281 HA PHE 16 HA PHE 16 9.227 -4.904 -12.220
282 HB2 PHE 16 HB2 PHE 16 6.991 -3.471 -11.217
283 HB3 PHE 16 HB1 PHE 16 8.343 -2.341 -11.296
284 HD1 PHE 16 HD1 PHE 16 6.889 -5.140 -13.342
285 HD2 PHE 16 HD2 PHE 16 8.682 -1.236 -13.311
286 HE1 PHE 16 HE1 PHE 16 6.645 -5.008 -15.807
287 HE2 PHE 16 HE2 PHE 16 8.437 -1.104 -15.775
288 HZ PHE 16 HZ PHE 16 7.420 -2.990 -17.023
289 H GLN 17 HN GLN 17 9.108 -3.522 -8.944
290 HA GLN 17 HA GLN 17 11.422 -1.954 -9.088
291 HB2 GLN 17 HB2 GLN 17 9.791 -1.837 -7.236
292 HB3 GLN 17 HB1 GLN 17 10.325 -3.423 -6.679
293 HG2 GLN 17 HG2 GLN 17 12.593 -2.565 -6.329
294 HG3 GLN 17 HG1 GLN 17 12.109 -0.986 -6.946
295 HE21 GLN 17 HE21 GLN 17 13.094 -0.832 -4.438
296 HE22 GLN 17 HE22 GLN 17 11.863 -0.694 -3.278
297 H1 ALA 1 HT1 ALA 1 8.392 13.792 3.436
298 H2 ALA 1 HT2 ALA 1 6.726 14.104 3.311
299 H3 ALA 1 HT3 ALA 1 7.325 12.542 3.017
300 HA ALA 1 HA ALA 1 8.203 12.692 5.427
301 HB1 ALA 1 HB1 ALA 1 7.673 15.033 5.790
302 HB2 ALA 1 HB2 ALA 1 6.623 14.060 6.821
303 HB3 ALA 1 HB3 ALA 1 5.991 14.763 5.333
304 H THR 2 HN THR 2 4.933 13.057 4.041
305 HA THR 2 HA THR 2 3.725 11.061 5.656
306 HB THR 2 HB THR 2 1.887 11.157 4.006
307 HG1 THR 2 HG1 THR 2 2.173 12.552 2.222
308 HG21 THR 2 HG21 THR 2 2.245 12.928 5.785
309 HG22 THR 2 HG22 THR 2 1.297 13.450 4.393
310 HG23 THR 2 HG23 THR 2 2.990 13.924 4.535
311 H LEU 3 HN LEU 3 5.188 10.996 2.428
312 HA LEU 3 HA LEU 3 4.500 8.381 1.705
313 HB2 LEU 3 HB2 LEU 3 6.785 10.193 0.981
314 HB3 LEU 3 HB1 LEU 3 6.731 8.536 0.379
315 HG LEU 3 HG LEU 3 4.317 9.078 -0.356
316 HD11 LEU 3 HD11 LEU 3 4.086 11.571 -0.883
317 HD12 LEU 3 HD12 LEU 3 5.424 11.831 0.237
318 HD13 LEU 3 HD13 LEU 3 3.916 11.122 0.814
319 HD21 LEU 3 HD21 LEU 3 5.206 10.300 -2.417
320 HD22 LEU 3 HD22 LEU 3 6.015 8.784 -2.019
321 HD23 LEU 3 HD23 LEU 3 6.776 10.323 -1.613
322 H GLU 4 HN GLU 4 7.361 9.588 3.442
323 HA GLU 4 HA GLU 4 8.698 7.147 3.742
324 HB2 GLU 4 HB2 GLU 4 8.640 9.617 5.482
325 HB3 GLU 4 HB1 GLU 4 9.717 8.252 5.780
326 HG2 GLU 4 HG2 GLU 4 10.755 8.518 3.608
327 HG3 GLU 4 HG1 GLU 4 9.585 9.754 3.153
328 H LYS 5 HN LYS 5 6.324 8.720 5.875
329 HA LYS 5 HA LYS 5 6.327 6.812 7.922
330 HB2 LYS 5 HB2 LYS 5 5.236 9.017 8.107
331 HB3 LYS 5 HB1 LYS 5 4.003 8.496 6.960
332 HG2 LYS 5 HG2 LYS 5 3.004 7.062 8.470
333 HG3 LYS 5 HG1 LYS 5 4.507 6.770 9.346
334 HD2 LYS 5 HD2 LYS 5 3.002 8.123 10.725
335 HD3 LYS 5 HD1 LYS 5 4.402 9.084 10.252
336 HE2 LYS 5 HE2 LYS 5 3.075 10.065 8.393
337 HE3 LYS 5 HE1 LYS 5 1.672 9.143 8.933
338 HZ1 LYS 5 HZ1 LYS 5 2.418 10.332 11.203
339 HZ2 LYS 5 HZ2 LYS 5 1.270 10.982 10.133
340 HZ3 LYS 5 HZ3 LYS 5 2.883 11.513 10.079
341 H LEU 6 HN LEU 6 4.310 7.011 4.998
342 HA LEU 6 HA LEU 6 2.714 4.762 5.476
343 HB2 LEU 6 HB2 LEU 6 2.221 6.356 3.688
344 HB3 LEU 6 HB1 LEU 6 3.690 5.880 2.836
345 HG LEU 6 HG LEU 6 2.823 3.572 2.634
346 HD11 LEU 6 HD11 LEU 6 1.430 3.388 4.579
347 HD12 LEU 6 HD12 LEU 6 0.358 3.261 3.187
348 HD13 LEU 6 HD13 LEU 6 0.455 4.772 4.090
349 HD21 LEU 6 HD21 LEU 6 1.203 4.032 0.925
350 HD22 LEU 6 HD22 LEU 6 2.317 5.400 0.933
351 HD23 LEU 6 HD23 LEU 6 0.732 5.549 1.691
352 H MET 7 HN MET 7 5.819 5.031 3.759
353 HA MET 7 HA MET 7 6.071 2.354 2.982
354 HB2 MET 7 HB2 MET 7 7.540 4.161 2.166
355 HB3 MET 7 HB1 MET 7 8.272 4.279 3.767
356 HG2 MET 7 HG2 MET 7 9.692 2.895 2.354
357 HG3 MET 7 HG1 MET 7 8.947 1.877 3.585
358 HE1 MET 7 HE1 MET 7 9.106 -0.527 0.583
359 HE2 MET 7 HE2 MET 7 9.403 -0.303 2.305
360 HE3 MET 7 HE3 MET 7 10.282 0.676 1.133
361 H LYS 8 HN LYS 8 7.184 3.981 5.946
362 HA LYS 8 HA LYS 8 8.443 1.790 7.146
363 HB2 LYS 8 HB2 LYS 8 7.021 4.170 8.350
364 HB3 LYS 8 HB1 LYS 8 7.934 3.001 9.306
365 HG2 LYS 8 HG2 LYS 8 9.951 3.474 7.967
366 HG3 LYS 8 HG1 LYS 8 9.043 4.644 7.010
367 HD2 LYS 8 HD2 LYS 8 8.608 5.976 9.040
368 HD3 LYS 8 HD1 LYS 8 9.512 4.807 10.002
369 HE2 LYS 8 HE2 LYS 8 11.538 5.272 8.676
370 HE3 LYS 8 HE1 LYS 8 10.638 6.436 7.704
371 HZ1 LYS 8 HZ1 LYS 8 11.805 7.617 9.390
372 HZ2 LYS 8 HZ2 LYS 8 11.213 6.594 10.611
373 HZ3 LYS 8 HZ3 LYS 8 10.158 7.647 9.797
374 H ALA 9 HN ALA 9 5.073 2.904 7.400
375 HA ALA 9 HA ALA 9 4.162 0.986 9.224
376 HB1 ALA 9 HB1 ALA 9 2.651 2.299 6.953
377 HB2 ALA 9 HB2 ALA 9 2.837 2.949 8.582
378 HB3 ALA 9 HB3 ALA 9 1.919 1.466 8.324
379 H PHE 10 HN PHE 10 4.218 0.906 5.666
380 HA PHE 10 HA PHE 10 2.992 -1.585 5.309
381 HB2 PHE 10 HB2 PHE 10 4.058 0.332 3.656
382 HB3 PHE 10 HB1 PHE 10 5.177 -1.013 3.436
383 HD1 PHE 10 HD1 PHE 10 1.913 0.296 2.661
384 HD2 PHE 10 HD2 PHE 10 4.207 -3.323 2.918
385 HE1 PHE 10 HE1 PHE 10 0.247 -0.861 1.234
386 HE2 PHE 10 HE2 PHE 10 2.544 -4.481 1.489
387 HZ PHE 10 HZ PHE 10 0.563 -3.250 0.647
388 H GLU 11 HN GLU 11 6.438 -0.772 5.679
389 HA GLU 11 HA GLU 11 7.481 -3.356 5.400
390 HB2 GLU 11 HB2 GLU 11 8.453 -0.982 7.001
391 HB3 GLU 11 HB1 GLU 11 9.388 -2.464 6.802
392 HG2 GLU 11 HG2 GLU 11 8.375 -0.709 4.545
393 HG3 GLU 11 HG1 GLU 11 10.038 -0.768 5.126
394 H SER 12 HN SER 12 6.420 -1.630 8.326
395 HA SER 12 HA SER 12 7.053 -3.621 10.191
396 HB2 SER 12 HB2 SER 12 5.441 -2.535 11.668
397 HB3 SER 12 HB1 SER 12 6.385 -1.320 10.812
398 HG SER 12 HG SER 12 4.674 -0.851 9.571
399 H LEU 13 HN LEU 13 4.049 -3.057 8.367
400 HA LEU 13 HA LEU 13 2.538 -5.150 9.454
401 HB2 LEU 13 HB2 LEU 13 1.537 -3.425 8.049
402 HB3 LEU 13 HB1 LEU 13 2.462 -3.991 6.658
403 HG LEU 13 HG LEU 13 0.893 -6.082 8.035
404 HD11 LEU 13 HD11 LEU 13 -0.678 -4.195 8.206
405 HD12 LEU 13 HD12 LEU 13 -1.235 -5.352 6.997
406 HD13 LEU 13 HD13 LEU 13 -0.463 -3.850 6.489
407 HD21 LEU 13 HD21 LEU 13 1.393 -5.188 5.186
408 HD22 LEU 13 HD22 LEU 13 0.301 -6.513 5.586
409 HD23 LEU 13 HD23 LEU 13 2.014 -6.630 5.989
410 H LYS 14 HN LYS 14 4.672 -5.117 6.606
411 HA LYS 14 HA LYS 14 4.278 -7.757 5.760
412 HB2 LYS 14 HB2 LYS 14 6.647 -5.896 5.593
413 HB3 LYS 14 HB1 LYS 14 6.682 -7.513 4.895
414 HG2 LYS 14 HG2 LYS 14 4.838 -6.999 3.431
415 HG3 LYS 14 HG1 LYS 14 4.560 -5.455 4.242
416 HD2 LYS 14 HD2 LYS 14 6.640 -4.563 3.456
417 HD3 LYS 14 HD1 LYS 14 7.180 -6.144 2.893
418 HE2 LYS 14 HE2 LYS 14 5.556 -6.168 1.135
419 HE3 LYS 14 HE1 LYS 14 4.729 -4.758 1.789
420 HZ1 LYS 14 HZ1 LYS 14 7.384 -4.894 0.497
421 HZ2 LYS 14 HZ2 LYS 14 6.932 -3.574 1.467
422 HZ3 LYS 14 HZ3 LYS 14 6.049 -3.941 0.063
423 H SER 15 HN SER 15 6.680 -6.414 8.025
424 HA SER 15 HA SER 15 8.058 -8.786 8.591
425 HB2 SER 15 HB2 SER 15 7.529 -6.375 10.343
426 HB3 SER 15 HB1 SER 15 8.670 -7.659 10.740
427 HG SER 15 HG SER 15 9.006 -5.545 9.147
428 H PHE 16 HN PHE 16 5.240 -7.322 10.198
429 HA PHE 16 HA PHE 16 4.907 -9.233 12.215
430 HB2 PHE 16 HB2 PHE 16 2.832 -7.561 10.775
431 HB3 PHE 16 HB1 PHE 16 2.531 -8.470 12.256
432 HD1 PHE 16 HD1 PHE 16 2.771 -5.293 11.397
433 HD2 PHE 16 HD2 PHE 16 5.026 -8.077 13.767
434 HE1 PHE 16 HE1 PHE 16 3.692 -3.414 12.728
435 HE2 PHE 16 HE2 PHE 16 5.946 -6.199 15.098
436 HZ PHE 16 HZ PHE 16 5.280 -3.867 14.578
437 H GLN 17 HN GLN 17 3.522 -9.108 8.944
438 HA GLN 17 HA GLN 17 1.954 -11.422 9.088
439 HB2 GLN 17 HB2 GLN 17 1.837 -9.791 7.236
440 HB3 GLN 17 HB1 GLN 17 3.423 -10.325 6.679
441 HG2 GLN 17 HG2 GLN 17 2.565 -12.593 6.329
442 HG3 GLN 17 HG1 GLN 17 0.986 -12.109 6.946
443 HE21 GLN 17 HE21 GLN 17 0.832 -13.094 4.438
444 HE22 GLN 17 HE22 GLN 17 0.694 -11.863 3.278
445 H1 ALA 1 HT1 ALA 1 -8.392 -13.792 3.436
446 H2 ALA 1 HT2 ALA 1 -6.726 -14.104 3.311
447 H3 ALA 1 HT3 ALA 1 -7.325 -12.542 3.017
448 HA ALA 1 HA ALA 1 -8.203 -12.692 5.427
449 HB1 ALA 1 HB1 ALA 1 -7.673 -15.033 5.790
450 HB2 ALA 1 HB2 ALA 1 -6.623 -14.060 6.821
451 HB3 ALA 1 HB3 ALA 1 -5.991 -14.763 5.333
452 H THR 2 HN THR 2 -4.933 -13.057 4.041
453 HA THR 2 HA THR 2 -3.725 -11.061 5.656
454 HB THR 2 HB THR 2 -1.887 -11.157 4.006
455 HG1 THR 2 HG1 THR 2 -2.173 -12.552 2.222
456 HG21 THR 2 HG21 THR 2 -2.245 -12.928 5.785
457 HG22 THR 2 HG22 THR 2 -1.297 -13.450 4.393
458 HG23 THR 2 HG23 THR 2 -2.990 -13.924 4.535
459 H LEU 3 HN LEU 3 -5.188 -10.996 2.428
460 HA LEU 3 HA LEU 3 -4.500 -8.381 1.705
461 HB2 LEU 3 HB2 LEU 3 -6.785 -10.193 0.981
462 HB3 LEU 3 HB1 LEU 3 -6.731 -8.536 0.379
463 HG LEU 3 HG LEU 3 -4.317 -9.078 -0.356
464 HD11 LEU 3 HD11 LEU 3 -4.086 -11.571 -0.883
465 HD12 LEU 3 HD12 LEU 3 -5.424 -11.831 0.237
466 HD13 LEU 3 HD13 LEU 3 -3.916 -11.122 0.814
467 HD21 LEU 3 HD21 LEU 3 -5.206 -10.300 -2.417
468 HD22 LEU 3 HD22 LEU 3 -6.015 -8.784 -2.019
469 HD23 LEU 3 HD23 LEU 3 -6.776 -10.323 -1.613
470 H GLU 4 HN GLU 4 -7.361 -9.588 3.442
471 HA GLU 4 HA GLU 4 -8.698 -7.147 3.742
472 HB2 GLU 4 HB2 GLU 4 -8.640 -9.617 5.482
473 HB3 GLU 4 HB1 GLU 4 -9.717 -8.252 5.780
474 HG2 GLU 4 HG2 GLU 4 -10.755 -8.518 3.608
475 HG3 GLU 4 HG1 GLU 4 -9.585 -9.754 3.153
476 H LYS 5 HN LYS 5 -6.324 -8.720 5.875
477 HA LYS 5 HA LYS 5 -6.322 -6.818 7.928
478 HB2 LYS 5 HB2 LYS 5 -5.214 -9.000 8.127
479 HB3 LYS 5 HB1 LYS 5 -4.020 -8.509 6.925
480 HG2 LYS 5 HG2 LYS 5 -3.216 -6.731 8.368
481 HG3 LYS 5 HG1 LYS 5 -4.498 -7.048 9.537
482 HD2 LYS 5 HD2 LYS 5 -2.488 -8.105 10.359
483 HD3 LYS 5 HD1 LYS 5 -3.570 -9.380 9.798
484 HE2 LYS 5 HE2 LYS 5 -2.358 -9.519 7.677
485 HE3 LYS 5 HE1 LYS 5 -1.313 -8.184 8.163
486 HZ1 LYS 5 HZ1 LYS 5 -0.819 -9.669 10.184
487 HZ2 LYS 5 HZ2 LYS 5 -0.076 -10.038 8.701
488 HZ3 LYS 5 HZ3 LYS 5 -1.423 -10.931 9.225
489 H LEU 6 HN LEU 6 -4.310 -7.011 4.998
490 HA LEU 6 HA LEU 6 -2.714 -4.762 5.477
491 HB2 LEU 6 HB2 LEU 6 -2.221 -6.354 3.689
492 HB3 LEU 6 HB1 LEU 6 -3.689 -5.879 2.836
493 HG LEU 6 HG LEU 6 -2.821 -3.570 2.635
494 HD11 LEU 6 HD11 LEU 6 -1.431 -3.395 4.586
495 HD12 LEU 6 HD12 LEU 6 -0.361 -3.252 3.193
496 HD13 LEU 6 HD13 LEU 6 -0.449 -4.770 4.085
497 HD21 LEU 6 HD21 LEU 6 -1.196 -4.032 0.927
498 HD22 LEU 6 HD22 LEU 6 -2.315 -5.394 0.931
499 HD23 LEU 6 HD23 LEU 6 -0.732 -5.552 1.692
500 H MET 7 HN MET 7 -5.819 -5.031 3.759
501 HA MET 7 HA MET 7 -6.071 -2.354 2.982
502 HB2 MET 7 HB2 MET 7 -7.540 -4.161 2.166
503 HB3 MET 7 HB1 MET 7 -8.272 -4.279 3.767
504 HG2 MET 7 HG2 MET 7 -9.692 -2.895 2.354
505 HG3 MET 7 HG1 MET 7 -8.947 -1.877 3.585
506 HE1 MET 7 HE1 MET 7 -9.106 0.527 0.583
507 HE2 MET 7 HE2 MET 7 -9.403 0.303 2.305
508 HE3 MET 7 HE3 MET 7 -10.282 -0.676 1.133
509 H LYS 8 HN LYS 8 -7.184 -3.981 5.946
510 HA LYS 8 HA LYS 8 -8.443 -1.790 7.146
511 HB2 LYS 8 HB2 LYS 8 -7.021 -4.170 8.350
512 HB3 LYS 8 HB1 LYS 8 -7.934 -3.001 9.306
513 HG2 LYS 8 HG2 LYS 8 -9.951 -3.474 7.967
514 HG3 LYS 8 HG1 LYS 8 -9.043 -4.644 7.010
515 HD2 LYS 8 HD2 LYS 8 -8.608 -5.976 9.040
516 HD3 LYS 8 HD1 LYS 8 -9.512 -4.807 10.002
517 HE2 LYS 8 HE2 LYS 8 -11.538 -5.272 8.676
518 HE3 LYS 8 HE1 LYS 8 -10.638 -6.436 7.704
519 HZ1 LYS 8 HZ1 LYS 8 -11.805 -7.617 9.390
520 HZ2 LYS 8 HZ2 LYS 8 -11.213 -6.594 10.611
521 HZ3 LYS 8 HZ3 LYS 8 -10.158 -7.647 9.797
522 H ALA 9 HN ALA 9 -5.073 -2.904 7.400
523 HA ALA 9 HA ALA 9 -4.162 -0.986 9.224
524 HB1 ALA 9 HB1 ALA 9 -2.651 -2.299 6.953
525 HB2 ALA 9 HB2 ALA 9 -2.837 -2.949 8.582
526 HB3 ALA 9 HB3 ALA 9 -1.919 -1.466 8.324
527 H PHE 10 HN PHE 10 -4.218 -0.906 5.666
528 HA PHE 10 HA PHE 10 -2.992 1.585 5.310
529 HB2 PHE 10 HB2 PHE 10 -4.059 -0.332 3.656
530 HB3 PHE 10 HB1 PHE 10 -5.176 1.014 3.435
531 HD1 PHE 10 HD1 PHE 10 -2.063 -0.358 2.439
532 HD2 PHE 10 HD2 PHE 10 -4.053 3.382 3.136
533 HE1 PHE 10 HE1 PHE 10 -0.397 0.795 1.010
534 HE2 PHE 10 HE2 PHE 10 -2.389 4.535 1.706
535 HZ PHE 10 HZ PHE 10 -0.560 3.242 0.642
536 H GLU 11 HN GLU 11 -6.438 0.772 5.679
537 HA GLU 11 HA GLU 11 -7.481 3.356 5.400
538 HB2 GLU 11 HB2 GLU 11 -8.453 0.982 7.001
539 HB3 GLU 11 HB1 GLU 11 -9.388 2.464 6.802
540 HG2 GLU 11 HG2 GLU 11 -8.375 0.709 4.545
541 HG3 GLU 11 HG1 GLU 11 -10.038 0.768 5.126
542 H SER 12 HN SER 12 -6.420 1.630 8.326
543 HA SER 12 HA SER 12 -7.053 3.622 10.190
544 HB2 SER 12 HB2 SER 12 -5.440 2.535 11.668
545 HB3 SER 12 HB1 SER 12 -6.389 1.323 10.814
546 HG SER 12 HG SER 12 -3.708 2.060 10.525
547 H LEU 13 HN LEU 13 -4.049 3.057 8.367
548 HA LEU 13 HA LEU 13 -2.535 5.149 9.452
549 HB2 LEU 13 HB2 LEU 13 -1.542 3.424 8.038
550 HB3 LEU 13 HB1 LEU 13 -2.470 3.999 6.652
551 HG LEU 13 HG LEU 13 -0.898 6.083 8.033
552 HD11 LEU 13 HD11 LEU 13 0.667 4.188 8.204
553 HD12 LEU 13 HD12 LEU 13 1.234 5.353 7.007
554 HD13 LEU 13 HD13 LEU 13 0.462 3.856 6.484
555 HD21 LEU 13 HD21 LEU 13 -1.392 5.192 5.181
556 HD22 LEU 13 HD22 LEU 13 -0.299 6.515 5.585
557 HD23 LEU 13 HD23 LEU 13 -2.012 6.634 5.984
558 H LYS 14 HN LYS 14 -4.672 5.117 6.606
559 HA LYS 14 HA LYS 14 -4.278 7.757 5.761
560 HB2 LYS 14 HB2 LYS 14 -6.652 5.901 5.597
561 HB3 LYS 14 HB1 LYS 14 -6.672 7.511 4.883
562 HG2 LYS 14 HG2 LYS 14 -4.816 6.973 3.441
563 HG3 LYS 14 HG1 LYS 14 -4.563 5.430 4.262
564 HD2 LYS 14 HD2 LYS 14 -6.658 4.565 3.467
565 HD3 LYS 14 HD1 LYS 14 -7.155 6.149 2.871
566 HE2 LYS 14 HE2 LYS 14 -5.468 6.114 1.157
567 HE3 LYS 14 HE1 LYS 14 -4.730 4.665 1.832
568 HZ1 LYS 14 HZ1 LYS 14 -7.365 4.924 0.508
569 HZ2 LYS 14 HZ2 LYS 14 -6.949 3.568 1.444
570 HZ3 LYS 14 HZ3 LYS 14 -6.055 3.948 0.050
571 H SER 15 HN SER 15 -6.680 6.414 8.025
572 HA SER 15 HA SER 15 -8.058 8.787 8.591
573 HB2 SER 15 HB2 SER 15 -8.869 6.580 9.304
574 HB3 SER 15 HB1 SER 15 -7.511 6.429 10.415
575 HG SER 15 HG SER 15 -8.341 8.019 11.654
576 H PHE 16 HN PHE 16 -5.240 7.322 10.198
577 HA PHE 16 HA PHE 16 -4.900 9.224 12.222
578 HB2 PHE 16 HB2 PHE 16 -3.682 7.133 12.254
579 HB3 PHE 16 HB1 PHE 16 -2.868 7.537 10.744
580 HD1 PHE 16 HD1 PHE 16 -3.315 8.695 14.271
581 HD2 PHE 16 HD2 PHE 16 -0.853 8.755 10.751
582 HE1 PHE 16 HE1 PHE 16 -1.527 9.855 15.540
583 HE2 PHE 16 HE2 PHE 16 0.935 9.915 12.023
584 HZ PHE 16 HZ PHE 16 0.597 10.463 14.416
585 H GLN 17 HN GLN 17 -3.522 9.108 8.944
586 HA GLN 17 HA GLN 17 -1.954 11.422 9.088
587 HB2 GLN 17 HB2 GLN 17 -1.838 9.790 7.236
588 HB3 GLN 17 HB1 GLN 17 -3.424 10.325 6.679
589 HG2 GLN 17 HG2 GLN 17 -2.563 12.593 6.329
590 HG3 GLN 17 HG1 GLN 17 -0.985 12.107 6.945
591 HE21 GLN 17 HE21 GLN 17 -0.833 13.092 4.436
592 HE22 GLN 17 HE22 GLN 17 -0.693 11.859 3.277
Start of MODEL 9
1 H1 ALA 1 HT1 ALA 1 13.712 8.417 -7.377
2 H2 ALA 1 HT2 ALA 1 14.069 9.721 -6.348
3 H3 ALA 1 HT3 ALA 1 12.456 9.256 -6.607
4 HA ALA 1 HA ALA 1 14.509 7.555 -5.305
5 HB1 ALA 1 HB1 ALA 1 14.123 9.266 -3.743
6 HB2 ALA 1 HB2 ALA 1 12.929 8.051 -3.287
7 HB3 ALA 1 HB3 ALA 1 12.439 9.459 -4.229
8 H THR 2 HN THR 2 13.653 5.595 -4.495
9 HA THR 2 HA THR 2 11.690 4.367 -6.127
10 HB THR 2 HB THR 2 11.902 2.462 -4.568
11 HG1 THR 2 HG1 THR 2 12.163 3.245 -2.600
12 HG21 THR 2 HG21 THR 2 14.372 2.164 -4.814
13 HG22 THR 2 HG22 THR 2 14.492 3.856 -5.296
14 HG23 THR 2 HG23 THR 2 13.594 2.716 -6.297
15 H LEU 3 HN LEU 3 11.596 5.710 -2.851
16 HA LEU 3 HA LEU 3 9.037 4.849 -2.104
17 HB2 LEU 3 HB2 LEU 3 10.457 7.429 -1.392
18 HB3 LEU 3 HB1 LEU 3 9.065 6.762 -0.540
19 HG LEU 3 HG LEU 3 11.728 5.348 -0.875
20 HD11 LEU 3 HD11 LEU 3 12.048 7.199 0.620
21 HD12 LEU 3 HD12 LEU 3 11.851 5.766 1.630
22 HD13 LEU 3 HD13 LEU 3 10.510 6.893 1.427
23 HD21 LEU 3 HD21 LEU 3 10.726 3.868 0.919
24 HD22 LEU 3 HD22 LEU 3 9.933 3.748 -0.650
25 HD23 LEU 3 HD23 LEU 3 9.188 4.686 0.645
26 H GLU 4 HN GLU 4 10.045 7.824 -3.777
27 HA GLU 4 HA GLU 4 7.526 9.024 -3.996
28 HB2 GLU 4 HB2 GLU 4 9.963 9.162 -5.778
29 HB3 GLU 4 HB1 GLU 4 8.533 10.166 -6.021
30 HG2 GLU 4 HG2 GLU 4 8.778 11.153 -3.822
31 HG3 GLU 4 HG1 GLU 4 10.089 10.044 -3.424
32 H LYS 5 HN LYS 5 9.196 6.810 -6.225
33 HA LYS 5 HA LYS 5 7.261 6.755 -8.247
34 HB2 LYS 5 HB2 LYS 5 9.505 5.783 -8.505
35 HB3 LYS 5 HB1 LYS 5 9.094 4.520 -7.343
36 HG2 LYS 5 HG2 LYS 5 7.283 3.738 -8.811
37 HG3 LYS 5 HG1 LYS 5 7.657 5.016 -9.968
38 HD2 LYS 5 HD2 LYS 5 9.929 4.082 -10.258
39 HD3 LYS 5 HD1 LYS 5 9.537 2.791 -9.121
40 HE2 LYS 5 HE2 LYS 5 8.055 3.323 -11.713
41 HE3 LYS 5 HE1 LYS 5 9.269 2.065 -11.485
42 HZ1 LYS 5 HZ1 LYS 5 7.340 0.929 -11.069
43 HZ2 LYS 5 HZ2 LYS 5 6.562 2.263 -10.360
44 HZ3 LYS 5 HZ3 LYS 5 7.756 1.415 -9.499
45 H LEU 6 HN LEU 6 7.623 4.675 -5.382
46 HA LEU 6 HA LEU 6 5.464 2.961 -5.868
47 HB2 LEU 6 HB2 LEU 6 7.114 2.515 -4.122
48 HB3 LEU 6 HB1 LEU 6 6.570 3.932 -3.223
49 HG LEU 6 HG LEU 6 4.421 2.047 -3.960
50 HD11 LEU 6 HD11 LEU 6 6.281 0.480 -3.440
51 HD12 LEU 6 HD12 LEU 6 5.004 0.416 -2.225
52 HD13 LEU 6 HD13 LEU 6 6.501 1.286 -1.886
53 HD21 LEU 6 HD21 LEU 6 3.908 3.891 -2.519
54 HD22 LEU 6 HD22 LEU 6 5.303 3.563 -1.491
55 HD23 LEU 6 HD23 LEU 6 3.925 2.462 -1.486
56 H MET 7 HN MET 7 5.581 6.026 -4.066
57 HA MET 7 HA MET 7 2.909 6.100 -3.237
58 HB2 MET 7 HB2 MET 7 4.641 7.651 -2.413
59 HB3 MET 7 HB1 MET 7 4.689 8.430 -3.995
60 HG2 MET 7 HG2 MET 7 3.246 9.749 -2.576
61 HG3 MET 7 HG1 MET 7 2.225 8.913 -3.743
62 HE1 MET 7 HE1 MET 7 1.115 10.239 -1.406
63 HE2 MET 7 HE2 MET 7 0.141 9.115 -0.462
64 HE3 MET 7 HE3 MET 7 -0.021 9.152 -2.216
65 H LYS 8 HN LYS 8 4.414 7.391 -6.192
66 HA LYS 8 HA LYS 8 2.132 8.554 -7.320
67 HB2 LYS 8 HB2 LYS 8 4.571 7.311 -8.603
68 HB3 LYS 8 HB1 LYS 8 3.333 8.178 -9.514
69 HG2 LYS 8 HG2 LYS 8 3.707 10.181 -8.120
70 HG3 LYS 8 HG1 LYS 8 4.952 9.318 -7.216
71 HD2 LYS 8 HD2 LYS 8 6.285 9.047 -9.255
72 HD3 LYS 8 HD1 LYS 8 5.027 9.844 -10.202
73 HE2 LYS 8 HE2 LYS 8 6.805 11.445 -9.663
74 HE3 LYS 8 HE1 LYS 8 5.318 11.892 -8.827
75 HZ1 LYS 8 HZ1 LYS 8 6.142 11.245 -6.812
76 HZ2 LYS 8 HZ2 LYS 8 7.571 11.788 -7.554
77 HZ3 LYS 8 HZ3 LYS 8 7.230 10.125 -7.474
78 H ALA 9 HN ALA 9 3.437 5.264 -7.693
79 HA ALA 9 HA ALA 9 1.540 4.297 -9.513
80 HB1 ALA 9 HB1 ALA 9 3.138 2.907 -7.359
81 HB2 ALA 9 HB2 ALA 9 3.483 2.980 -9.087
82 HB3 ALA 9 HB3 ALA 9 2.111 2.040 -8.501
83 H PHE 10 HN PHE 10 1.524 4.243 -5.954
84 HA PHE 10 HA PHE 10 -0.887 2.864 -5.600
85 HB2 PHE 10 HB2 PHE 10 0.702 3.361 -3.770
86 HB3 PHE 10 HB1 PHE 10 0.237 5.062 -3.851
87 HD1 PHE 10 HD1 PHE 10 -1.048 1.628 -3.229
88 HD2 PHE 10 HD2 PHE 10 -1.783 5.844 -2.854
89 HE1 PHE 10 HE1 PHE 10 -3.019 1.157 -1.804
90 HE2 PHE 10 HE2 PHE 10 -3.755 5.371 -1.425
91 HZ PHE 10 HZ PHE 10 -4.372 3.026 -0.902
92 H GLU 11 HN GLU 11 -0.281 6.360 -5.872
93 HA GLU 11 HA GLU 11 -2.915 7.240 -5.519
94 HB2 GLU 11 HB2 GLU 11 -0.628 8.393 -7.125
95 HB3 GLU 11 HB1 GLU 11 -2.159 9.234 -6.883
96 HG2 GLU 11 HG2 GLU 11 -0.315 8.268 -4.677
97 HG3 GLU 11 HG1 GLU 11 -0.482 9.939 -5.212
98 H SER 12 HN SER 12 -1.184 6.368 -8.504
99 HA SER 12 HA SER 12 -3.242 6.937 -10.317
100 HB2 SER 12 HB2 SER 12 -2.092 5.432 -11.858
101 HB3 SER 12 HB1 SER 12 -0.921 6.429 -11.000
102 HG SER 12 HG SER 12 -0.329 4.716 -9.804
103 H LEU 13 HN LEU 13 -2.472 3.919 -8.594
104 HA LEU 13 HA LEU 13 -4.489 2.318 -9.691
105 HB2 LEU 13 HB2 LEU 13 -2.677 1.397 -8.327
106 HB3 LEU 13 HB1 LEU 13 -3.295 2.241 -6.908
107 HG LEU 13 HG LEU 13 -5.414 0.971 -7.085
108 HD11 LEU 13 HD11 LEU 13 -5.356 -1.044 -8.651
109 HD12 LEU 13 HD12 LEU 13 -3.980 -0.275 -9.441
110 HD13 LEU 13 HD13 LEU 13 -5.552 0.524 -9.433
111 HD21 LEU 13 HD21 LEU 13 -4.394 -1.314 -6.588
112 HD22 LEU 13 HD22 LEU 13 -3.761 0.023 -5.628
113 HD23 LEU 13 HD23 LEU 13 -2.830 -0.606 -6.987
114 H LYS 14 HN LYS 14 -4.532 4.368 -6.782
115 HA LYS 14 HA LYS 14 -7.133 3.783 -5.934
116 HB2 LYS 14 HB2 LYS 14 -5.324 6.150 -5.573
117 HB3 LYS 14 HB1 LYS 14 -6.990 6.216 -4.996
118 HG2 LYS 14 HG2 LYS 14 -5.219 3.873 -4.317
119 HG3 LYS 14 HG1 LYS 14 -5.170 5.354 -3.357
120 HD2 LYS 14 HD2 LYS 14 -7.598 5.194 -2.967
121 HD3 LYS 14 HD1 LYS 14 -7.661 3.721 -3.933
122 HE2 LYS 14 HE2 LYS 14 -5.953 4.030 -1.452
123 HE3 LYS 14 HE1 LYS 14 -7.563 3.313 -1.450
124 HZ1 LYS 14 HZ1 LYS 14 -5.277 2.356 -3.086
125 HZ2 LYS 14 HZ2 LYS 14 -6.819 1.647 -3.001
126 HZ3 LYS 14 HZ3 LYS 14 -5.803 1.644 -1.640
127 H SER 15 HN SER 15 -5.969 6.337 -8.118
128 HA SER 15 HA SER 15 -8.428 7.589 -8.602
129 HB2 SER 15 HB2 SER 15 -6.023 7.255 -10.409
130 HB3 SER 15 HB1 SER 15 -7.376 8.329 -10.750
131 HG SER 15 HG SER 15 -5.479 9.237 -9.607
132 H PHE 16 HN PHE 16 -6.830 4.911 -10.318
133 HA PHE 16 HA PHE 16 -8.749 4.523 -12.319
134 HB2 PHE 16 HB2 PHE 16 -6.568 3.425 -12.384
135 HB3 PHE 16 HB1 PHE 16 -6.982 2.478 -10.954
136 HD1 PHE 16 HD1 PHE 16 -7.935 3.133 -14.493
137 HD2 PHE 16 HD2 PHE 16 -8.307 0.506 -11.116
138 HE1 PHE 16 HE1 PHE 16 -9.051 1.446 -15.928
139 HE2 PHE 16 HE2 PHE 16 -9.422 -1.179 -12.551
140 HZ PHE 16 HZ PHE 16 -9.794 -0.711 -14.956
141 H GLN 17 HN GLN 17 -8.490 3.054 -9.088
142 HA GLN 17 HA GLN 17 -10.712 1.358 -9.243
143 HB2 GLN 17 HB2 GLN 17 -8.890 1.581 -7.402
144 HB3 GLN 17 HB1 GLN 17 -9.976 2.782 -6.701
145 HG2 GLN 17 HG2 GLN 17 -11.014 0.078 -7.523
146 HG3 GLN 17 HG1 GLN 17 -10.234 0.300 -5.958
147 HE21 GLN 17 HE21 GLN 17 -13.128 -0.276 -6.518
148 HE22 GLN 17 HE22 GLN 17 -13.987 1.006 -5.809
149 H1 ALA 1 HT1 ALA 1 -13.712 -8.417 -7.377
150 H2 ALA 1 HT2 ALA 1 -14.069 -9.721 -6.348
151 H3 ALA 1 HT3 ALA 1 -12.456 -9.256 -6.607
152 HA ALA 1 HA ALA 1 -14.509 -7.555 -5.305
153 HB1 ALA 1 HB1 ALA 1 -14.123 -9.266 -3.743
154 HB2 ALA 1 HB2 ALA 1 -12.929 -8.051 -3.287
155 HB3 ALA 1 HB3 ALA 1 -12.439 -9.459 -4.229
156 H THR 2 HN THR 2 -13.653 -5.595 -4.495
157 HA THR 2 HA THR 2 -11.690 -4.367 -6.127
158 HB THR 2 HB THR 2 -11.902 -2.462 -4.568
159 HG1 THR 2 HG1 THR 2 -12.163 -3.245 -2.600
160 HG21 THR 2 HG21 THR 2 -14.372 -2.164 -4.814
161 HG22 THR 2 HG22 THR 2 -14.492 -3.856 -5.296
162 HG23 THR 2 HG23 THR 2 -13.594 -2.716 -6.297
163 H LEU 3 HN LEU 3 -11.596 -5.710 -2.851
164 HA LEU 3 HA LEU 3 -9.037 -4.849 -2.104
165 HB2 LEU 3 HB2 LEU 3 -10.457 -7.429 -1.392
166 HB3 LEU 3 HB1 LEU 3 -9.065 -6.762 -0.540
167 HG LEU 3 HG LEU 3 -11.728 -5.348 -0.875
168 HD11 LEU 3 HD11 LEU 3 -12.048 -7.199 0.620
169 HD12 LEU 3 HD12 LEU 3 -11.851 -5.766 1.630
170 HD13 LEU 3 HD13 LEU 3 -10.510 -6.893 1.427
171 HD21 LEU 3 HD21 LEU 3 -10.726 -3.868 0.919
172 HD22 LEU 3 HD22 LEU 3 -9.933 -3.748 -0.650
173 HD23 LEU 3 HD23 LEU 3 -9.188 -4.686 0.645
174 H GLU 4 HN GLU 4 -10.045 -7.824 -3.777
175 HA GLU 4 HA GLU 4 -7.526 -9.024 -3.996
176 HB2 GLU 4 HB2 GLU 4 -9.963 -9.162 -5.778
177 HB3 GLU 4 HB1 GLU 4 -8.533 -10.166 -6.021
178 HG2 GLU 4 HG2 GLU 4 -8.778 -11.153 -3.822
179 HG3 GLU 4 HG1 GLU 4 -10.089 -10.044 -3.424
180 H LYS 5 HN LYS 5 -9.196 -6.810 -6.225
181 HA LYS 5 HA LYS 5 -7.258 -6.757 -8.243
182 HB2 LYS 5 HB2 LYS 5 -9.575 -5.775 -8.363
183 HB3 LYS 5 HB1 LYS 5 -8.979 -4.419 -7.405
184 HG2 LYS 5 HG2 LYS 5 -7.361 -3.840 -9.102
185 HG3 LYS 5 HG1 LYS 5 -7.721 -5.306 -10.015
186 HD2 LYS 5 HD2 LYS 5 -10.093 -4.478 -10.249
187 HD3 LYS 5 HD1 LYS 5 -9.565 -2.950 -9.542
188 HE2 LYS 5 HE2 LYS 5 -8.318 -4.197 -12.005
189 HE3 LYS 5 HE1 LYS 5 -9.563 -2.952 -12.056
190 HZ1 LYS 5 HZ1 LYS 5 -7.433 -1.917 -12.229
191 HZ2 LYS 5 HZ2 LYS 5 -6.860 -2.726 -10.849
192 HZ3 LYS 5 HZ3 LYS 5 -8.070 -1.543 -10.702
193 H LEU 6 HN LEU 6 -7.623 -4.675 -5.382
194 HA LEU 6 HA LEU 6 -5.464 -2.961 -5.868
195 HB2 LEU 6 HB2 LEU 6 -7.114 -2.515 -4.122
196 HB3 LEU 6 HB1 LEU 6 -6.570 -3.932 -3.223
197 HG LEU 6 HG LEU 6 -4.421 -2.047 -3.960
198 HD11 LEU 6 HD11 LEU 6 -6.281 -0.480 -3.440
199 HD12 LEU 6 HD12 LEU 6 -5.004 -0.416 -2.225
200 HD13 LEU 6 HD13 LEU 6 -6.501 -1.286 -1.886
201 HD21 LEU 6 HD21 LEU 6 -3.908 -3.891 -2.519
202 HD22 LEU 6 HD22 LEU 6 -5.303 -3.563 -1.491
203 HD23 LEU 6 HD23 LEU 6 -3.925 -2.462 -1.486
204 H MET 7 HN MET 7 -5.581 -6.026 -4.066
205 HA MET 7 HA MET 7 -2.909 -6.100 -3.237
206 HB2 MET 7 HB2 MET 7 -4.641 -7.651 -2.413
207 HB3 MET 7 HB1 MET 7 -4.689 -8.430 -3.995
208 HG2 MET 7 HG2 MET 7 -3.246 -9.749 -2.576
209 HG3 MET 7 HG1 MET 7 -2.225 -8.913 -3.743
210 HE1 MET 7 HE1 MET 7 -1.115 -10.239 -1.406
211 HE2 MET 7 HE2 MET 7 -0.141 -9.115 -0.462
212 HE3 MET 7 HE3 MET 7 0.021 -9.152 -2.216
213 H LYS 8 HN LYS 8 -4.414 -7.391 -6.192
214 HA LYS 8 HA LYS 8 -2.132 -8.554 -7.320
215 HB2 LYS 8 HB2 LYS 8 -4.571 -7.311 -8.603
216 HB3 LYS 8 HB1 LYS 8 -3.333 -8.178 -9.514
217 HG2 LYS 8 HG2 LYS 8 -3.707 -10.181 -8.120
218 HG3 LYS 8 HG1 LYS 8 -4.952 -9.318 -7.216
219 HD2 LYS 8 HD2 LYS 8 -6.285 -9.047 -9.255
220 HD3 LYS 8 HD1 LYS 8 -5.027 -9.844 -10.202
221 HE2 LYS 8 HE2 LYS 8 -6.805 -11.445 -9.663
222 HE3 LYS 8 HE1 LYS 8 -5.318 -11.892 -8.827
223 HZ1 LYS 8 HZ1 LYS 8 -6.142 -11.245 -6.812
224 HZ2 LYS 8 HZ2 LYS 8 -7.571 -11.788 -7.554
225 HZ3 LYS 8 HZ3 LYS 8 -7.230 -10.125 -7.474
226 H ALA 9 HN ALA 9 -3.437 -5.264 -7.693
227 HA ALA 9 HA ALA 9 -1.540 -4.297 -9.513
228 HB1 ALA 9 HB1 ALA 9 -3.254 -2.984 -7.421
229 HB2 ALA 9 HB2 ALA 9 -3.389 -2.901 -9.177
230 HB3 ALA 9 HB3 ALA 9 -2.090 -2.040 -8.351
231 H PHE 10 HN PHE 10 -1.524 -4.243 -5.954
232 HA PHE 10 HA PHE 10 0.887 -2.864 -5.600
233 HB2 PHE 10 HB2 PHE 10 -0.702 -3.361 -3.770
234 HB3 PHE 10 HB1 PHE 10 -0.237 -5.062 -3.851
235 HD1 PHE 10 HD1 PHE 10 1.048 -1.628 -3.229
236 HD2 PHE 10 HD2 PHE 10 1.783 -5.844 -2.854
237 HE1 PHE 10 HE1 PHE 10 3.019 -1.157 -1.804
238 HE2 PHE 10 HE2 PHE 10 3.755 -5.371 -1.425
239 HZ PHE 10 HZ PHE 10 4.372 -3.026 -0.902
240 H GLU 11 HN GLU 11 0.281 -6.360 -5.872
241 HA GLU 11 HA GLU 11 2.915 -7.240 -5.519
242 HB2 GLU 11 HB2 GLU 11 0.628 -8.393 -7.125
243 HB3 GLU 11 HB1 GLU 11 2.159 -9.234 -6.883
244 HG2 GLU 11 HG2 GLU 11 0.315 -8.268 -4.677
245 HG3 GLU 11 HG1 GLU 11 0.482 -9.939 -5.212
246 H SER 12 HN SER 12 1.184 -6.368 -8.504
247 HA SER 12 HA SER 12 3.242 -6.937 -10.316
248 HB2 SER 12 HB2 SER 12 2.094 -5.416 -11.854
249 HB3 SER 12 HB1 SER 12 0.933 -6.440 -11.016
250 HG SER 12 HG SER 12 0.337 -4.752 -9.773
251 H LEU 13 HN LEU 13 2.472 -3.919 -8.594
252 HA LEU 13 HA LEU 13 4.489 -2.318 -9.691
253 HB2 LEU 13 HB2 LEU 13 2.677 -1.396 -8.328
254 HB3 LEU 13 HB1 LEU 13 3.294 -2.240 -6.909
255 HG LEU 13 HG LEU 13 5.414 -0.971 -7.085
256 HD11 LEU 13 HD11 LEU 13 5.354 1.045 -8.650
257 HD12 LEU 13 HD12 LEU 13 3.980 0.274 -9.442
258 HD13 LEU 13 HD13 LEU 13 5.554 -0.522 -9.432
259 HD21 LEU 13 HD21 LEU 13 4.395 1.314 -6.587
260 HD22 LEU 13 HD22 LEU 13 3.761 -0.023 -5.628
261 HD23 LEU 13 HD23 LEU 13 2.830 0.606 -6.987
262 H LYS 14 HN LYS 14 4.532 -4.368 -6.782
263 HA LYS 14 HA LYS 14 7.133 -3.783 -5.934
264 HB2 LYS 14 HB2 LYS 14 5.324 -6.150 -5.573
265 HB3 LYS 14 HB1 LYS 14 6.990 -6.216 -4.996
266 HG2 LYS 14 HG2 LYS 14 5.219 -3.873 -4.317
267 HG3 LYS 14 HG1 LYS 14 5.170 -5.354 -3.357
268 HD2 LYS 14 HD2 LYS 14 7.598 -5.194 -2.967
269 HD3 LYS 14 HD1 LYS 14 7.661 -3.721 -3.933
270 HE2 LYS 14 HE2 LYS 14 5.953 -4.030 -1.452
271 HE3 LYS 14 HE1 LYS 14 7.563 -3.313 -1.450
272 HZ1 LYS 14 HZ1 LYS 14 5.277 -2.356 -3.086
273 HZ2 LYS 14 HZ2 LYS 14 6.819 -1.647 -3.001
274 HZ3 LYS 14 HZ3 LYS 14 5.803 -1.644 -1.640
275 H SER 15 HN SER 15 5.969 -6.337 -8.118
276 HA SER 15 HA SER 15 8.428 -7.589 -8.602
277 HB2 SER 15 HB2 SER 15 6.286 -8.550 -9.324
278 HB3 SER 15 HB1 SER 15 6.075 -7.237 -10.479
279 HG SER 15 HG SER 15 7.962 -9.335 -10.462
280 H PHE 16 HN PHE 16 6.830 -4.911 -10.318
281 HA PHE 16 HA PHE 16 8.751 -4.525 -12.317
282 HB2 PHE 16 HB2 PHE 16 6.752 -2.710 -11.000
283 HB3 PHE 16 HB1 PHE 16 7.892 -2.074 -12.186
284 HD1 PHE 16 HD1 PHE 16 4.714 -3.518 -11.783
285 HD2 PHE 16 HD2 PHE 16 8.131 -3.591 -14.384
286 HE1 PHE 16 HE1 PHE 16 3.299 -4.402 -13.616
287 HE2 PHE 16 HE2 PHE 16 6.715 -4.476 -16.218
288 HZ PHE 16 HZ PHE 16 4.299 -4.880 -15.834
289 H GLN 17 HN GLN 17 8.490 -3.054 -9.088
290 HA GLN 17 HA GLN 17 10.712 -1.358 -9.243
291 HB2 GLN 17 HB2 GLN 17 8.890 -1.581 -7.402
292 HB3 GLN 17 HB1 GLN 17 9.976 -2.782 -6.701
293 HG2 GLN 17 HG2 GLN 17 11.014 -0.078 -7.523
294 HG3 GLN 17 HG1 GLN 17 10.234 -0.300 -5.958
295 HE21 GLN 17 HE21 GLN 17 13.128 0.276 -6.517
296 HE22 GLN 17 HE22 GLN 17 13.987 -1.006 -5.809
297 H1 ALA 1 HT1 ALA 1 8.417 13.712 7.377
298 H2 ALA 1 HT2 ALA 1 9.721 14.069 6.348
299 H3 ALA 1 HT3 ALA 1 9.256 12.456 6.607
300 HA ALA 1 HA ALA 1 7.555 14.509 5.305
301 HB1 ALA 1 HB1 ALA 1 9.266 14.123 3.743
302 HB2 ALA 1 HB2 ALA 1 8.051 12.929 3.287
303 HB3 ALA 1 HB3 ALA 1 9.459 12.439 4.229
304 H THR 2 HN THR 2 5.595 13.653 4.495
305 HA THR 2 HA THR 2 4.367 11.690 6.127
306 HB THR 2 HB THR 2 2.462 11.902 4.568
307 HG1 THR 2 HG1 THR 2 3.245 12.163 2.600
308 HG21 THR 2 HG21 THR 2 2.164 14.372 4.814
309 HG22 THR 2 HG22 THR 2 3.856 14.492 5.296
310 HG23 THR 2 HG23 THR 2 2.716 13.594 6.297
311 H LEU 3 HN LEU 3 5.710 11.596 2.851
312 HA LEU 3 HA LEU 3 4.849 9.037 2.104
313 HB2 LEU 3 HB2 LEU 3 7.429 10.457 1.392
314 HB3 LEU 3 HB1 LEU 3 6.762 9.065 0.540
315 HG LEU 3 HG LEU 3 5.348 11.728 0.875
316 HD11 LEU 3 HD11 LEU 3 7.199 12.048 -0.620
317 HD12 LEU 3 HD12 LEU 3 5.766 11.851 -1.630
318 HD13 LEU 3 HD13 LEU 3 6.893 10.510 -1.427
319 HD21 LEU 3 HD21 LEU 3 3.868 10.726 -0.919
320 HD22 LEU 3 HD22 LEU 3 3.748 9.933 0.650
321 HD23 LEU 3 HD23 LEU 3 4.686 9.188 -0.645
322 H GLU 4 HN GLU 4 7.824 10.045 3.777
323 HA GLU 4 HA GLU 4 9.024 7.526 3.996
324 HB2 GLU 4 HB2 GLU 4 9.162 9.963 5.778
325 HB3 GLU 4 HB1 GLU 4 10.166 8.533 6.021
326 HG2 GLU 4 HG2 GLU 4 11.153 8.778 3.822
327 HG3 GLU 4 HG1 GLU 4 10.044 10.089 3.424
328 H LYS 5 HN LYS 5 6.810 9.196 6.225
329 HA LYS 5 HA LYS 5 6.757 7.258 8.244
330 HB2 LYS 5 HB2 LYS 5 5.776 9.575 8.363
331 HB3 LYS 5 HB1 LYS 5 4.419 8.980 7.405
332 HG2 LYS 5 HG2 LYS 5 3.839 7.362 9.101
333 HG3 LYS 5 HG1 LYS 5 5.305 7.721 10.014
334 HD2 LYS 5 HD2 LYS 5 4.477 10.094 10.246
335 HD3 LYS 5 HD1 LYS 5 2.949 9.563 9.541
336 HE2 LYS 5 HE2 LYS 5 4.200 8.321 12.005
337 HE3 LYS 5 HE1 LYS 5 2.952 9.565 12.055
338 HZ1 LYS 5 HZ1 LYS 5 1.926 7.430 12.233
339 HZ2 LYS 5 HZ2 LYS 5 2.729 6.862 10.848
340 HZ3 LYS 5 HZ3 LYS 5 1.542 8.069 10.709
341 H LEU 6 HN LEU 6 4.675 7.623 5.382
342 HA LEU 6 HA LEU 6 2.961 5.464 5.868
343 HB2 LEU 6 HB2 LEU 6 2.515 7.114 4.122
344 HB3 LEU 6 HB1 LEU 6 3.932 6.570 3.223
345 HG LEU 6 HG LEU 6 2.047 4.421 3.960
346 HD11 LEU 6 HD11 LEU 6 0.480 6.281 3.440
347 HD12 LEU 6 HD12 LEU 6 0.416 5.004 2.225
348 HD13 LEU 6 HD13 LEU 6 1.286 6.501 1.886
349 HD21 LEU 6 HD21 LEU 6 3.891 3.908 2.519
350 HD22 LEU 6 HD22 LEU 6 3.563 5.303 1.491
351 HD23 LEU 6 HD23 LEU 6 2.462 3.925 1.486
352 H MET 7 HN MET 7 6.026 5.581 4.066
353 HA MET 7 HA MET 7 6.100 2.909 3.237
354 HB2 MET 7 HB2 MET 7 7.651 4.641 2.413
355 HB3 MET 7 HB1 MET 7 8.430 4.689 3.995
356 HG2 MET 7 HG2 MET 7 9.749 3.246 2.576
357 HG3 MET 7 HG1 MET 7 8.913 2.225 3.743
358 HE1 MET 7 HE1 MET 7 10.239 1.115 1.406
359 HE2 MET 7 HE2 MET 7 9.115 0.141 0.462
360 HE3 MET 7 HE3 MET 7 9.152 -0.021 2.216
361 H LYS 8 HN LYS 8 7.391 4.414 6.192
362 HA LYS 8 HA LYS 8 8.554 2.132 7.320
363 HB2 LYS 8 HB2 LYS 8 7.311 4.571 8.603
364 HB3 LYS 8 HB1 LYS 8 8.178 3.333 9.514
365 HG2 LYS 8 HG2 LYS 8 10.181 3.707 8.120
366 HG3 LYS 8 HG1 LYS 8 9.318 4.952 7.216
367 HD2 LYS 8 HD2 LYS 8 9.047 6.285 9.255
368 HD3 LYS 8 HD1 LYS 8 9.844 5.027 10.202
369 HE2 LYS 8 HE2 LYS 8 11.445 6.805 9.663
370 HE3 LYS 8 HE1 LYS 8 11.892 5.318 8.827
371 HZ1 LYS 8 HZ1 LYS 8 11.245 6.142 6.812
372 HZ2 LYS 8 HZ2 LYS 8 11.788 7.571 7.554
373 HZ3 LYS 8 HZ3 LYS 8 10.125 7.230 7.474
374 H ALA 9 HN ALA 9 5.264 3.437 7.693
375 HA ALA 9 HA ALA 9 4.297 1.540 9.513
376 HB1 ALA 9 HB1 ALA 9 2.974 3.237 7.410
377 HB2 ALA 9 HB2 ALA 9 2.913 3.403 9.165
378 HB3 ALA 9 HB3 ALA 9 2.039 2.092 8.373
379 H PHE 10 HN PHE 10 4.243 1.524 5.954
380 HA PHE 10 HA PHE 10 2.864 -0.887 5.600
381 HB2 PHE 10 HB2 PHE 10 3.361 0.702 3.770
382 HB3 PHE 10 HB1 PHE 10 5.062 0.237 3.851
383 HD1 PHE 10 HD1 PHE 10 1.628 -1.048 3.229
384 HD2 PHE 10 HD2 PHE 10 5.844 -1.783 2.854
385 HE1 PHE 10 HE1 PHE 10 1.157 -3.019 1.804
386 HE2 PHE 10 HE2 PHE 10 5.371 -3.755 1.425
387 HZ PHE 10 HZ PHE 10 3.026 -4.372 0.902
388 H GLU 11 HN GLU 11 6.360 -0.281 5.872
389 HA GLU 11 HA GLU 11 7.240 -2.915 5.519
390 HB2 GLU 11 HB2 GLU 11 8.393 -0.628 7.125
391 HB3 GLU 11 HB1 GLU 11 9.234 -2.159 6.883
392 HG2 GLU 11 HG2 GLU 11 8.268 -0.315 4.677
393 HG3 GLU 11 HG1 GLU 11 9.939 -0.482 5.212
394 H SER 12 HN SER 12 6.368 -1.184 8.504
395 HA SER 12 HA SER 12 6.936 -3.234 10.327
396 HB2 SER 12 HB2 SER 12 4.827 -1.066 10.430
397 HB3 SER 12 HB1 SER 12 5.260 -2.092 11.794
398 HG SER 12 HG SER 12 7.103 -0.510 10.325
399 H LEU 13 HN LEU 13 3.919 -2.472 8.594
400 HA LEU 13 HA LEU 13 2.318 -4.489 9.691
401 HB2 LEU 13 HB2 LEU 13 1.396 -2.677 8.328
402 HB3 LEU 13 HB1 LEU 13 2.240 -3.294 6.909
403 HG LEU 13 HG LEU 13 0.971 -5.414 7.085
404 HD11 LEU 13 HD11 LEU 13 -1.045 -5.354 8.650
405 HD12 LEU 13 HD12 LEU 13 -0.274 -3.980 9.442
406 HD13 LEU 13 HD13 LEU 13 0.522 -5.554 9.432
407 HD21 LEU 13 HD21 LEU 13 -1.314 -4.395 6.587
408 HD22 LEU 13 HD22 LEU 13 0.023 -3.761 5.628
409 HD23 LEU 13 HD23 LEU 13 -0.606 -2.830 6.987
410 H LYS 14 HN LYS 14 4.368 -4.532 6.782
411 HA LYS 14 HA LYS 14 3.783 -7.133 5.934
412 HB2 LYS 14 HB2 LYS 14 6.150 -5.324 5.573
413 HB3 LYS 14 HB1 LYS 14 6.216 -6.990 4.996
414 HG2 LYS 14 HG2 LYS 14 3.873 -5.219 4.317
415 HG3 LYS 14 HG1 LYS 14 5.354 -5.170 3.357
416 HD2 LYS 14 HD2 LYS 14 5.194 -7.598 2.967
417 HD3 LYS 14 HD1 LYS 14 3.721 -7.661 3.933
418 HE2 LYS 14 HE2 LYS 14 4.030 -5.953 1.452
419 HE3 LYS 14 HE1 LYS 14 3.313 -7.563 1.450
420 HZ1 LYS 14 HZ1 LYS 14 2.356 -5.277 3.086
421 HZ2 LYS 14 HZ2 LYS 14 1.647 -6.819 3.001
422 HZ3 LYS 14 HZ3 LYS 14 1.644 -5.803 1.640
423 H SER 15 HN SER 15 6.337 -5.969 8.118
424 HA SER 15 HA SER 15 7.589 -8.428 8.602
425 HB2 SER 15 HB2 SER 15 8.550 -6.287 9.324
426 HB3 SER 15 HB1 SER 15 7.237 -6.075 10.479
427 HG SER 15 HG SER 15 8.402 -7.224 11.784
428 H PHE 16 HN PHE 16 4.911 -6.830 10.318
429 HA PHE 16 HA PHE 16 4.519 -8.748 12.321
430 HB2 PHE 16 HB2 PHE 16 2.523 -6.938 10.940
431 HB3 PHE 16 HB1 PHE 16 2.163 -7.884 12.381
432 HD1 PHE 16 HD1 PHE 16 2.552 -4.701 11.634
433 HD2 PHE 16 HD2 PHE 16 4.657 -7.654 13.940
434 HE1 PHE 16 HE1 PHE 16 3.519 -2.909 13.050
435 HE2 PHE 16 HE2 PHE 16 5.622 -5.861 15.355
436 HZ PHE 16 HZ PHE 16 5.054 -3.489 14.911
437 H GLN 17 HN GLN 17 3.054 -8.490 9.088
438 HA GLN 17 HA GLN 17 1.358 -10.712 9.243
439 HB2 GLN 17 HB2 GLN 17 1.581 -8.890 7.402
440 HB3 GLN 17 HB1 GLN 17 2.782 -9.976 6.701
441 HG2 GLN 17 HG2 GLN 17 0.078 -11.014 7.523
442 HG3 GLN 17 HG1 GLN 17 0.300 -10.234 5.958
443 HE21 GLN 17 HE21 GLN 17 -0.276 -13.128 6.517
444 HE22 GLN 17 HE22 GLN 17 1.006 -13.987 5.809
445 H1 ALA 1 HT1 ALA 1 -8.417 -13.712 7.377
446 H2 ALA 1 HT2 ALA 1 -9.721 -14.069 6.348
447 H3 ALA 1 HT3 ALA 1 -9.256 -12.456 6.607
448 HA ALA 1 HA ALA 1 -7.555 -14.509 5.305
449 HB1 ALA 1 HB1 ALA 1 -9.266 -14.123 3.743
450 HB2 ALA 1 HB2 ALA 1 -8.051 -12.929 3.287
451 HB3 ALA 1 HB3 ALA 1 -9.459 -12.439 4.229
452 H THR 2 HN THR 2 -5.595 -13.653 4.495
453 HA THR 2 HA THR 2 -4.367 -11.690 6.127
454 HB THR 2 HB THR 2 -2.462 -11.902 4.568
455 HG1 THR 2 HG1 THR 2 -3.245 -12.163 2.600
456 HG21 THR 2 HG21 THR 2 -2.164 -14.372 4.814
457 HG22 THR 2 HG22 THR 2 -3.856 -14.492 5.296
458 HG23 THR 2 HG23 THR 2 -2.716 -13.594 6.297
459 H LEU 3 HN LEU 3 -5.710 -11.596 2.851
460 HA LEU 3 HA LEU 3 -4.849 -9.037 2.104
461 HB2 LEU 3 HB2 LEU 3 -7.429 -10.457 1.392
462 HB3 LEU 3 HB1 LEU 3 -6.762 -9.065 0.540
463 HG LEU 3 HG LEU 3 -5.348 -11.728 0.875
464 HD11 LEU 3 HD11 LEU 3 -7.199 -12.048 -0.620
465 HD12 LEU 3 HD12 LEU 3 -5.766 -11.851 -1.630
466 HD13 LEU 3 HD13 LEU 3 -6.893 -10.510 -1.427
467 HD21 LEU 3 HD21 LEU 3 -3.868 -10.726 -0.919
468 HD22 LEU 3 HD22 LEU 3 -3.748 -9.933 0.650
469 HD23 LEU 3 HD23 LEU 3 -4.686 -9.188 -0.645
470 H GLU 4 HN GLU 4 -7.824 -10.045 3.777
471 HA GLU 4 HA GLU 4 -9.024 -7.526 3.996
472 HB2 GLU 4 HB2 GLU 4 -9.162 -9.963 5.778
473 HB3 GLU 4 HB1 GLU 4 -10.166 -8.533 6.021
474 HG2 GLU 4 HG2 GLU 4 -11.153 -8.778 3.822
475 HG3 GLU 4 HG1 GLU 4 -10.044 -10.089 3.424
476 H LYS 5 HN LYS 5 -6.810 -9.196 6.225
477 HA LYS 5 HA LYS 5 -6.755 -7.261 8.247
478 HB2 LYS 5 HB2 LYS 5 -5.783 -9.505 8.505
479 HB3 LYS 5 HB1 LYS 5 -4.520 -9.094 7.343
480 HG2 LYS 5 HG2 LYS 5 -3.738 -7.283 8.811
481 HG3 LYS 5 HG1 LYS 5 -5.016 -7.657 9.968
482 HD2 LYS 5 HD2 LYS 5 -4.082 -9.929 10.258
483 HD3 LYS 5 HD1 LYS 5 -2.791 -9.537 9.121
484 HE2 LYS 5 HE2 LYS 5 -3.323 -8.055 11.713
485 HE3 LYS 5 HE1 LYS 5 -2.065 -9.269 11.485
486 HZ1 LYS 5 HZ1 LYS 5 -0.929 -7.340 11.069
487 HZ2 LYS 5 HZ2 LYS 5 -2.263 -6.562 10.360
488 HZ3 LYS 5 HZ3 LYS 5 -1.415 -7.756 9.499
489 H LEU 6 HN LEU 6 -4.675 -7.623 5.382
490 HA LEU 6 HA LEU 6 -2.961 -5.464 5.868
491 HB2 LEU 6 HB2 LEU 6 -2.515 -7.114 4.122
492 HB3 LEU 6 HB1 LEU 6 -3.932 -6.570 3.223
493 HG LEU 6 HG LEU 6 -2.047 -4.421 3.960
494 HD11 LEU 6 HD11 LEU 6 -0.480 -6.281 3.440
495 HD12 LEU 6 HD12 LEU 6 -0.416 -5.004 2.225
496 HD13 LEU 6 HD13 LEU 6 -1.286 -6.501 1.886
497 HD21 LEU 6 HD21 LEU 6 -3.891 -3.908 2.519
498 HD22 LEU 6 HD22 LEU 6 -3.563 -5.303 1.491
499 HD23 LEU 6 HD23 LEU 6 -2.462 -3.925 1.486
500 H MET 7 HN MET 7 -6.026 -5.581 4.066
501 HA MET 7 HA MET 7 -6.100 -2.909 3.237
502 HB2 MET 7 HB2 MET 7 -7.651 -4.641 2.413
503 HB3 MET 7 HB1 MET 7 -8.430 -4.689 3.995
504 HG2 MET 7 HG2 MET 7 -9.749 -3.246 2.576
505 HG3 MET 7 HG1 MET 7 -8.913 -2.225 3.743
506 HE1 MET 7 HE1 MET 7 -10.239 -1.115 1.406
507 HE2 MET 7 HE2 MET 7 -9.115 -0.141 0.462
508 HE3 MET 7 HE3 MET 7 -9.152 0.021 2.216
509 H LYS 8 HN LYS 8 -7.391 -4.414 6.192
510 HA LYS 8 HA LYS 8 -8.554 -2.132 7.320
511 HB2 LYS 8 HB2 LYS 8 -7.311 -4.571 8.603
512 HB3 LYS 8 HB1 LYS 8 -8.178 -3.333 9.514
513 HG2 LYS 8 HG2 LYS 8 -10.181 -3.707 8.120
514 HG3 LYS 8 HG1 LYS 8 -9.318 -4.952 7.216
515 HD2 LYS 8 HD2 LYS 8 -9.047 -6.285 9.255
516 HD3 LYS 8 HD1 LYS 8 -9.844 -5.027 10.202
517 HE2 LYS 8 HE2 LYS 8 -11.445 -6.805 9.663
518 HE3 LYS 8 HE1 LYS 8 -11.892 -5.318 8.827
519 HZ1 LYS 8 HZ1 LYS 8 -11.245 -6.142 6.812
520 HZ2 LYS 8 HZ2 LYS 8 -11.788 -7.571 7.554
521 HZ3 LYS 8 HZ3 LYS 8 -10.125 -7.230 7.474
522 H ALA 9 HN ALA 9 -5.264 -3.437 7.693
523 HA ALA 9 HA ALA 9 -4.297 -1.540 9.513
524 HB1 ALA 9 HB1 ALA 9 -2.907 -3.138 7.360
525 HB2 ALA 9 HB2 ALA 9 -2.980 -3.483 9.087
526 HB3 ALA 9 HB3 ALA 9 -2.040 -2.111 8.502
527 H PHE 10 HN PHE 10 -4.243 -1.524 5.954
528 HA PHE 10 HA PHE 10 -2.864 0.887 5.600
529 HB2 PHE 10 HB2 PHE 10 -3.361 -0.702 3.770
530 HB3 PHE 10 HB1 PHE 10 -5.062 -0.237 3.851
531 HD1 PHE 10 HD1 PHE 10 -1.628 1.048 3.229
532 HD2 PHE 10 HD2 PHE 10 -5.844 1.783 2.854
533 HE1 PHE 10 HE1 PHE 10 -1.157 3.019 1.804
534 HE2 PHE 10 HE2 PHE 10 -5.371 3.755 1.425
535 HZ PHE 10 HZ PHE 10 -3.026 4.372 0.902
536 H GLU 11 HN GLU 11 -6.360 0.281 5.872
537 HA GLU 11 HA GLU 11 -7.240 2.915 5.519
538 HB2 GLU 11 HB2 GLU 11 -8.393 0.628 7.125
539 HB3 GLU 11 HB1 GLU 11 -9.234 2.159 6.883
540 HG2 GLU 11 HG2 GLU 11 -8.268 0.315 4.677
541 HG3 GLU 11 HG1 GLU 11 -9.939 0.482 5.212
542 H SER 12 HN SER 12 -6.368 1.184 8.504
543 HA SER 12 HA SER 12 -6.937 3.242 10.317
544 HB2 SER 12 HB2 SER 12 -5.433 2.089 11.860
545 HB3 SER 12 HB1 SER 12 -6.427 0.919 10.999
546 HG SER 12 HG SER 12 -3.701 1.524 10.734
547 H LEU 13 HN LEU 13 -3.919 2.472 8.594
548 HA LEU 13 HA LEU 13 -2.318 4.489 9.691
549 HB2 LEU 13 HB2 LEU 13 -1.397 2.677 8.327
550 HB3 LEU 13 HB1 LEU 13 -2.241 3.295 6.908
551 HG LEU 13 HG LEU 13 -0.972 5.414 7.085
552 HD11 LEU 13 HD11 LEU 13 1.044 5.356 8.650
553 HD12 LEU 13 HD12 LEU 13 0.276 3.980 9.440
554 HD13 LEU 13 HD13 LEU 13 -0.524 5.551 9.433
555 HD21 LEU 13 HD21 LEU 13 1.314 4.394 6.589
556 HD22 LEU 13 HD22 LEU 13 -0.022 3.764 5.627
557 HD23 LEU 13 HD23 LEU 13 0.605 2.830 6.985
558 H LYS 14 HN LYS 14 -4.368 4.532 6.782
559 HA LYS 14 HA LYS 14 -3.783 7.133 5.934
560 HB2 LYS 14 HB2 LYS 14 -6.150 5.324 5.573
561 HB3 LYS 14 HB1 LYS 14 -6.216 6.990 4.996
562 HG2 LYS 14 HG2 LYS 14 -3.873 5.219 4.317
563 HG3 LYS 14 HG1 LYS 14 -5.354 5.170 3.357
564 HD2 LYS 14 HD2 LYS 14 -5.194 7.598 2.967
565 HD3 LYS 14 HD1 LYS 14 -3.721 7.661 3.933
566 HE2 LYS 14 HE2 LYS 14 -4.030 5.953 1.452
567 HE3 LYS 14 HE1 LYS 14 -3.313 7.563 1.450
568 HZ1 LYS 14 HZ1 LYS 14 -2.356 5.277 3.086
569 HZ2 LYS 14 HZ2 LYS 14 -1.647 6.819 3.001
570 HZ3 LYS 14 HZ3 LYS 14 -1.644 5.803 1.640
571 H SER 15 HN SER 15 -6.337 5.969 8.118
572 HA SER 15 HA SER 15 -7.589 8.428 8.602
573 HB2 SER 15 HB2 SER 15 -7.255 6.023 10.409
574 HB3 SER 15 HB1 SER 15 -8.329 7.377 10.750
575 HG SER 15 HG SER 15 -8.525 5.346 8.863
576 H PHE 16 HN PHE 16 -4.911 6.830 10.318
577 HA PHE 16 HA PHE 16 -4.523 8.749 12.319
578 HB2 PHE 16 HB2 PHE 16 -3.426 6.567 12.383
579 HB3 PHE 16 HB1 PHE 16 -2.478 6.982 10.954
580 HD1 PHE 16 HD1 PHE 16 -3.137 7.939 14.492
581 HD2 PHE 16 HD2 PHE 16 -0.503 8.300 11.119
582 HE1 PHE 16 HE1 PHE 16 -1.448 9.049 15.929
583 HE2 PHE 16 HE2 PHE 16 1.184 9.411 12.556
584 HZ PHE 16 HZ PHE 16 0.713 9.785 14.960
585 H GLN 17 HN GLN 17 -3.054 8.490 9.088
586 HA GLN 17 HA GLN 17 -1.358 10.712 9.243
587 HB2 GLN 17 HB2 GLN 17 -1.581 8.890 7.402
588 HB3 GLN 17 HB1 GLN 17 -2.782 9.976 6.701
589 HG2 GLN 17 HG2 GLN 17 -0.078 11.014 7.523
590 HG3 GLN 17 HG1 GLN 17 -0.300 10.234 5.958
591 HE21 GLN 17 HE21 GLN 17 0.276 13.128 6.517
592 HE22 GLN 17 HE22 GLN 17 -1.006 13.987 5.809
Start of MODEL 10
1 H1 ALA 1 HT1 ALA 1 15.987 7.525 -2.571
2 H2 ALA 1 HT2 ALA 1 15.510 5.902 -2.726
3 H3 ALA 1 HT3 ALA 1 14.403 7.068 -2.176
4 HA ALA 1 HA ALA 1 14.351 8.141 -4.293
5 HB1 ALA 1 HB1 ALA 1 16.762 7.724 -4.800
6 HB2 ALA 1 HB2 ALA 1 15.703 7.322 -6.152
7 HB3 ALA 1 HB3 ALA 1 16.368 6.039 -5.140
8 H THR 2 HN THR 2 14.804 4.647 -3.806
9 HA THR 2 HA THR 2 12.842 3.822 -5.686
10 HB THR 2 HB THR 2 12.970 1.645 -4.524
11 HG1 THR 2 HG1 THR 2 14.086 1.468 -2.650
12 HG21 THR 2 HG21 THR 2 15.573 3.107 -5.016
13 HG22 THR 2 HG22 THR 2 14.688 2.081 -6.145
14 HG23 THR 2 HG23 THR 2 15.479 1.368 -4.739
15 H LEU 3 HN LEU 3 12.739 4.494 -2.209
16 HA LEU 3 HA LEU 3 10.144 3.590 -1.671
17 HB2 LEU 3 HB2 LEU 3 11.715 5.876 -0.457
18 HB3 LEU 3 HB1 LEU 3 10.219 5.233 0.217
19 HG LEU 3 HG LEU 3 12.699 3.570 -0.305
20 HD11 LEU 3 HD11 LEU 3 11.664 4.911 2.203
21 HD12 LEU 3 HD12 LEU 3 13.245 5.111 1.448
22 HD13 LEU 3 HD13 LEU 3 12.831 3.588 2.235
23 HD21 LEU 3 HD21 LEU 3 10.753 2.174 -0.309
24 HD22 LEU 3 HD22 LEU 3 10.045 3.043 1.051
25 HD23 LEU 3 HD23 LEU 3 11.454 2.016 1.301
26 H GLU 4 HN GLU 4 11.271 6.802 -2.709
27 HA GLU 4 HA GLU 4 8.793 8.104 -2.706
28 HB2 GLU 4 HB2 GLU 4 11.262 8.526 -4.396
29 HB3 GLU 4 HB1 GLU 4 9.860 9.593 -4.461
30 HG2 GLU 4 HG2 GLU 4 11.225 10.643 -2.869
31 HG3 GLU 4 HG1 GLU 4 10.118 9.704 -1.871
32 H LYS 5 HN LYS 5 10.429 6.326 -5.319
33 HA LYS 5 HA LYS 5 8.525 6.742 -7.327
34 HB2 LYS 5 HB2 LYS 5 10.424 4.448 -6.815
35 HB3 LYS 5 HB1 LYS 5 9.420 4.558 -8.261
36 HG2 LYS 5 HG2 LYS 5 10.440 6.669 -8.882
37 HG3 LYS 5 HG1 LYS 5 11.338 6.727 -7.365
38 HD2 LYS 5 HD2 LYS 5 12.842 5.937 -9.090
39 HD3 LYS 5 HD1 LYS 5 12.464 4.577 -8.032
40 HE2 LYS 5 HE2 LYS 5 10.783 3.770 -9.616
41 HE3 LYS 5 HE1 LYS 5 11.065 5.165 -10.657
42 HZ1 LYS 5 HZ1 LYS 5 12.427 3.648 -11.635
43 HZ2 LYS 5 HZ2 LYS 5 12.751 2.818 -10.188
44 HZ3 LYS 5 HZ3 LYS 5 13.519 4.299 -10.512
45 H LEU 6 HN LEU 6 8.775 4.120 -4.932
46 HA LEU 6 HA LEU 6 6.569 2.611 -5.769
47 HB2 LEU 6 HB2 LEU 6 7.899 2.981 -3.092
48 HB3 LEU 6 HB1 LEU 6 6.489 1.938 -3.279
49 HG LEU 6 HG LEU 6 8.925 1.668 -5.046
50 HD11 LEU 6 HD11 LEU 6 9.557 -0.233 -3.534
51 HD12 LEU 6 HD12 LEU 6 8.315 0.307 -2.404
52 HD13 LEU 6 HD13 LEU 6 9.696 1.345 -2.760
53 HD21 LEU 6 HD21 LEU 6 6.459 0.043 -4.423
54 HD22 LEU 6 HD22 LEU 6 7.904 -0.736 -5.063
55 HD23 LEU 6 HD23 LEU 6 7.095 0.522 -5.996
56 H MET 7 HN MET 7 6.757 5.253 -3.392
57 HA MET 7 HA MET 7 4.076 5.248 -2.593
58 HB2 MET 7 HB2 MET 7 5.867 6.537 -1.468
59 HB3 MET 7 HB1 MET 7 5.914 7.639 -2.844
60 HG2 MET 7 HG2 MET 7 4.506 8.604 -1.112
61 HG3 MET 7 HG1 MET 7 3.490 8.132 -2.472
62 HE1 MET 7 HE1 MET 7 0.948 7.350 0.087
63 HE2 MET 7 HE2 MET 7 1.631 8.479 -1.079
64 HE3 MET 7 HE3 MET 7 2.159 8.532 0.601
65 H LYS 8 HN LYS 8 5.668 7.053 -5.214
66 HA LYS 8 HA LYS 8 3.441 8.493 -6.107
67 HB2 LYS 8 HB2 LYS 8 6.060 7.710 -7.219
68 HB3 LYS 8 HB1 LYS 8 4.813 8.061 -8.416
69 HG2 LYS 8 HG2 LYS 8 5.963 10.131 -7.906
70 HG3 LYS 8 HG1 LYS 8 4.349 10.213 -7.200
71 HD2 LYS 8 HD2 LYS 8 5.256 9.552 -5.011
72 HD3 LYS 8 HD1 LYS 8 6.872 9.435 -5.709
73 HE2 LYS 8 HE2 LYS 8 6.795 11.831 -6.296
74 HE3 LYS 8 HE1 LYS 8 5.183 11.951 -5.591
75 HZ1 LYS 8 HZ1 LYS 8 6.444 12.583 -3.824
76 HZ2 LYS 8 HZ2 LYS 8 7.775 11.627 -4.270
77 HZ3 LYS 8 HZ3 LYS 8 6.417 10.910 -3.544
78 H ALA 9 HN ALA 9 4.647 5.302 -7.118
79 HA ALA 9 HA ALA 9 2.750 4.780 -9.111
80 HB1 ALA 9 HB1 ALA 9 4.689 3.365 -8.879
81 HB2 ALA 9 HB2 ALA 9 3.254 2.369 -8.638
82 HB3 ALA 9 HB3 ALA 9 4.207 2.893 -7.250
83 H PHE 10 HN PHE 10 2.675 4.021 -5.634
84 HA PHE 10 HA PHE 10 0.217 2.682 -5.583
85 HB2 PHE 10 HB2 PHE 10 1.829 2.783 -3.686
86 HB3 PHE 10 HB1 PHE 10 1.349 4.459 -3.412
87 HD1 PHE 10 HD1 PHE 10 0.117 0.956 -3.501
88 HD2 PHE 10 HD2 PHE 10 -0.703 5.001 -2.311
89 HE1 PHE 10 HE1 PHE 10 -1.848 0.176 -2.208
90 HE2 PHE 10 HE2 PHE 10 -2.668 4.220 -1.016
91 HZ PHE 10 HZ PHE 10 -3.240 1.807 -0.966
92 H GLU 11 HN GLU 11 0.937 6.139 -5.148
93 HA GLU 11 HA GLU 11 -1.673 7.023 -4.650
94 HB2 GLU 11 HB2 GLU 11 0.671 8.395 -5.981
95 HB3 GLU 11 HB1 GLU 11 -0.834 9.222 -5.581
96 HG2 GLU 11 HG2 GLU 11 0.957 7.773 -3.607
97 HG3 GLU 11 HG1 GLU 11 0.845 9.522 -3.795
98 H SER 12 HN SER 12 0.077 6.704 -7.734
99 HA SER 12 HA SER 12 -1.935 7.691 -9.414
100 HB2 SER 12 HB2 SER 12 -0.808 6.488 -11.217
101 HB3 SER 12 HB1 SER 12 0.380 7.253 -10.166
102 HG SER 12 HG SER 12 1.157 5.285 -10.140
103 H LEU 13 HN LEU 13 -1.286 4.367 -8.322
104 HA LEU 13 HA LEU 13 -3.336 3.084 -9.733
105 HB2 LEU 13 HB2 LEU 13 -1.581 1.845 -8.570
106 HB3 LEU 13 HB1 LEU 13 -2.175 2.425 -7.014
107 HG LEU 13 HG LEU 13 -4.343 1.298 -7.435
108 HD11 LEU 13 HD11 LEU 13 -2.932 0.461 -9.978
109 HD12 LEU 13 HD12 LEU 13 -4.470 1.311 -9.826
110 HD13 LEU 13 HD13 LEU 13 -4.348 -0.384 -9.352
111 HD21 LEU 13 HD21 LEU 13 -3.575 -0.908 -6.961
112 HD22 LEU 13 HD22 LEU 13 -2.319 0.160 -6.337
113 HD23 LEU 13 HD23 LEU 13 -2.087 -0.669 -7.877
114 H LYS 14 HN LYS 14 -3.359 4.517 -6.476
115 HA LYS 14 HA LYS 14 -5.991 3.865 -5.788
116 HB2 LYS 14 HB2 LYS 14 -4.138 6.083 -4.956
117 HB3 LYS 14 HB1 LYS 14 -5.794 6.016 -4.352
118 HG2 LYS 14 HG2 LYS 14 -3.912 3.653 -4.189
119 HG3 LYS 14 HG1 LYS 14 -4.039 4.855 -2.905
120 HD2 LYS 14 HD2 LYS 14 -6.476 4.406 -2.746
121 HD3 LYS 14 HD1 LYS 14 -6.313 3.162 -3.984
122 HE2 LYS 14 HE2 LYS 14 -4.758 1.915 -2.550
123 HE3 LYS 14 HE1 LYS 14 -4.885 3.164 -1.311
124 HZ1 LYS 14 HZ1 LYS 14 -7.351 1.944 -2.314
125 HZ2 LYS 14 HZ2 LYS 14 -6.991 2.546 -0.766
126 HZ3 LYS 14 HZ3 LYS 14 -6.388 1.035 -1.255
127 H SER 15 HN SER 15 -4.713 6.761 -7.406
128 HA SER 15 HA SER 15 -7.122 8.167 -7.653
129 HB2 SER 15 HB2 SER 15 -4.701 8.118 -9.468
130 HB3 SER 15 HB1 SER 15 -6.013 9.285 -9.600
131 HG SER 15 HG SER 15 -5.179 10.323 -7.982
132 H PHE 16 HN PHE 16 -5.584 5.831 -9.854
133 HA PHE 16 HA PHE 16 -7.480 5.914 -11.910
134 HB2 PHE 16 HB2 PHE 16 -5.359 4.784 -12.215
135 HB3 PHE 16 HB1 PHE 16 -5.751 3.625 -10.945
136 HD1 PHE 16 HD1 PHE 16 -6.859 4.870 -14.285
137 HD2 PHE 16 HD2 PHE 16 -7.001 1.674 -11.419
138 HE1 PHE 16 HE1 PHE 16 -8.001 3.429 -15.949
139 HE2 PHE 16 HE2 PHE 16 -8.145 0.233 -13.082
140 HZ PHE 16 HZ PHE 16 -8.645 1.111 -15.347
141 H GLN 17 HN GLN 17 -7.321 3.825 -9.034
142 HA GLN 17 HA GLN 17 -9.595 2.278 -9.553
143 HB2 GLN 17 HB2 GLN 17 -7.818 2.013 -7.691
144 HB3 GLN 17 HB1 GLN 17 -8.841 3.114 -6.765
145 HG2 GLN 17 HG2 GLN 17 -10.051 0.727 -8.138
146 HG3 GLN 17 HG1 GLN 17 -9.269 0.541 -6.572
147 HE21 GLN 17 HE21 GLN 17 -12.188 0.309 -7.203
148 HE22 GLN 17 HE22 GLN 17 -12.957 1.466 -6.227
149 H1 ALA 1 HT1 ALA 1 -15.987 -7.525 -2.571
150 H2 ALA 1 HT2 ALA 1 -15.510 -5.902 -2.726
151 H3 ALA 1 HT3 ALA 1 -14.403 -7.068 -2.176
152 HA ALA 1 HA ALA 1 -14.351 -8.141 -4.293
153 HB1 ALA 1 HB1 ALA 1 -16.762 -7.724 -4.800
154 HB2 ALA 1 HB2 ALA 1 -15.703 -7.322 -6.152
155 HB3 ALA 1 HB3 ALA 1 -16.368 -6.039 -5.140
156 H THR 2 HN THR 2 -14.804 -4.647 -3.806
157 HA THR 2 HA THR 2 -12.842 -3.822 -5.686
158 HB THR 2 HB THR 2 -12.970 -1.645 -4.524
159 HG1 THR 2 HG1 THR 2 -14.086 -1.468 -2.650
160 HG21 THR 2 HG21 THR 2 -15.573 -3.107 -5.016
161 HG22 THR 2 HG22 THR 2 -14.688 -2.081 -6.145
162 HG23 THR 2 HG23 THR 2 -15.479 -1.368 -4.739
163 H LEU 3 HN LEU 3 -12.739 -4.494 -2.209
164 HA LEU 3 HA LEU 3 -10.144 -3.590 -1.671
165 HB2 LEU 3 HB2 LEU 3 -11.715 -5.876 -0.457
166 HB3 LEU 3 HB1 LEU 3 -10.219 -5.233 0.217
167 HG LEU 3 HG LEU 3 -12.699 -3.570 -0.305
168 HD11 LEU 3 HD11 LEU 3 -11.664 -4.911 2.203
169 HD12 LEU 3 HD12 LEU 3 -13.245 -5.111 1.448
170 HD13 LEU 3 HD13 LEU 3 -12.831 -3.588 2.235
171 HD21 LEU 3 HD21 LEU 3 -10.753 -2.174 -0.309
172 HD22 LEU 3 HD22 LEU 3 -10.045 -3.043 1.051
173 HD23 LEU 3 HD23 LEU 3 -11.454 -2.016 1.301
174 H GLU 4 HN GLU 4 -11.271 -6.802 -2.709
175 HA GLU 4 HA GLU 4 -8.793 -8.104 -2.706
176 HB2 GLU 4 HB2 GLU 4 -11.262 -8.526 -4.396
177 HB3 GLU 4 HB1 GLU 4 -9.860 -9.593 -4.461
178 HG2 GLU 4 HG2 GLU 4 -11.225 -10.643 -2.869
179 HG3 GLU 4 HG1 GLU 4 -10.118 -9.704 -1.871
180 H LYS 5 HN LYS 5 -10.429 -6.326 -5.319
181 HA LYS 5 HA LYS 5 -8.525 -6.742 -7.327
182 HB2 LYS 5 HB2 LYS 5 -10.424 -4.448 -6.815
183 HB3 LYS 5 HB1 LYS 5 -9.420 -4.558 -8.261
184 HG2 LYS 5 HG2 LYS 5 -10.440 -6.669 -8.882
185 HG3 LYS 5 HG1 LYS 5 -11.338 -6.727 -7.365
186 HD2 LYS 5 HD2 LYS 5 -12.842 -5.937 -9.090
187 HD3 LYS 5 HD1 LYS 5 -12.464 -4.577 -8.032
188 HE2 LYS 5 HE2 LYS 5 -10.783 -3.770 -9.616
189 HE3 LYS 5 HE1 LYS 5 -11.065 -5.165 -10.657
190 HZ1 LYS 5 HZ1 LYS 5 -12.427 -3.648 -11.635
191 HZ2 LYS 5 HZ2 LYS 5 -12.751 -2.818 -10.188
192 HZ3 LYS 5 HZ3 LYS 5 -13.519 -4.299 -10.512
193 H LEU 6 HN LEU 6 -8.775 -4.120 -4.932
194 HA LEU 6 HA LEU 6 -6.569 -2.611 -5.769
195 HB2 LEU 6 HB2 LEU 6 -7.899 -2.981 -3.092
196 HB3 LEU 6 HB1 LEU 6 -6.489 -1.938 -3.279
197 HG LEU 6 HG LEU 6 -8.925 -1.668 -5.046
198 HD11 LEU 6 HD11 LEU 6 -9.557 0.233 -3.535
199 HD12 LEU 6 HD12 LEU 6 -8.315 -0.307 -2.404
200 HD13 LEU 6 HD13 LEU 6 -9.696 -1.345 -2.760
201 HD21 LEU 6 HD21 LEU 6 -6.459 -0.043 -4.423
202 HD22 LEU 6 HD22 LEU 6 -7.905 0.736 -5.063
203 HD23 LEU 6 HD23 LEU 6 -7.095 -0.522 -5.996
204 H MET 7 HN MET 7 -6.757 -5.253 -3.392
205 HA MET 7 HA MET 7 -4.076 -5.248 -2.593
206 HB2 MET 7 HB2 MET 7 -5.867 -6.537 -1.468
207 HB3 MET 7 HB1 MET 7 -5.914 -7.639 -2.844
208 HG2 MET 7 HG2 MET 7 -4.506 -8.604 -1.112
209 HG3 MET 7 HG1 MET 7 -3.490 -8.132 -2.472
210 HE1 MET 7 HE1 MET 7 -0.948 -7.350 0.087
211 HE2 MET 7 HE2 MET 7 -1.631 -8.479 -1.079
212 HE3 MET 7 HE3 MET 7 -2.159 -8.532 0.601
213 H LYS 8 HN LYS 8 -5.668 -7.053 -5.214
214 HA LYS 8 HA LYS 8 -3.441 -8.493 -6.107
215 HB2 LYS 8 HB2 LYS 8 -6.060 -7.710 -7.219
216 HB3 LYS 8 HB1 LYS 8 -4.813 -8.061 -8.416
217 HG2 LYS 8 HG2 LYS 8 -5.963 -10.131 -7.906
218 HG3 LYS 8 HG1 LYS 8 -4.349 -10.213 -7.200
219 HD2 LYS 8 HD2 LYS 8 -5.256 -9.552 -5.011
220 HD3 LYS 8 HD1 LYS 8 -6.872 -9.435 -5.709
221 HE2 LYS 8 HE2 LYS 8 -6.795 -11.831 -6.296
222 HE3 LYS 8 HE1 LYS 8 -5.183 -11.951 -5.591
223 HZ1 LYS 8 HZ1 LYS 8 -6.444 -12.583 -3.824
224 HZ2 LYS 8 HZ2 LYS 8 -7.775 -11.627 -4.270
225 HZ3 LYS 8 HZ3 LYS 8 -6.417 -10.910 -3.544
226 H ALA 9 HN ALA 9 -4.647 -5.302 -7.118
227 HA ALA 9 HA ALA 9 -2.750 -4.780 -9.111
228 HB1 ALA 9 HB1 ALA 9 -4.688 -3.365 -8.879
229 HB2 ALA 9 HB2 ALA 9 -3.253 -2.369 -8.637
230 HB3 ALA 9 HB3 ALA 9 -4.207 -2.894 -7.249
231 H PHE 10 HN PHE 10 -2.675 -4.021 -5.634
232 HA PHE 10 HA PHE 10 -0.217 -2.682 -5.583
233 HB2 PHE 10 HB2 PHE 10 -1.829 -2.783 -3.686
234 HB3 PHE 10 HB1 PHE 10 -1.349 -4.459 -3.412
235 HD1 PHE 10 HD1 PHE 10 -0.117 -0.956 -3.501
236 HD2 PHE 10 HD2 PHE 10 0.703 -5.001 -2.311
237 HE1 PHE 10 HE1 PHE 10 1.848 -0.176 -2.208
238 HE2 PHE 10 HE2 PHE 10 2.668 -4.220 -1.016
239 HZ PHE 10 HZ PHE 10 3.240 -1.807 -0.966
240 H GLU 11 HN GLU 11 -0.937 -6.139 -5.148
241 HA GLU 11 HA GLU 11 1.673 -7.023 -4.650
242 HB2 GLU 11 HB2 GLU 11 -0.671 -8.395 -5.981
243 HB3 GLU 11 HB1 GLU 11 0.834 -9.222 -5.581
244 HG2 GLU 11 HG2 GLU 11 -0.957 -7.773 -3.607
245 HG3 GLU 11 HG1 GLU 11 -0.845 -9.522 -3.795
246 H SER 12 HN SER 12 -0.077 -6.704 -7.734
247 HA SER 12 HA SER 12 1.927 -7.692 -9.424
248 HB2 SER 12 HB2 SER 12 -0.177 -5.576 -9.928
249 HB3 SER 12 HB1 SER 12 0.816 -6.304 -11.187
250 HG SER 12 HG SER 12 -0.195 -8.187 -10.916
251 H LEU 13 HN LEU 13 1.286 -4.367 -8.322
252 HA LEU 13 HA LEU 13 3.336 -3.085 -9.733
253 HB2 LEU 13 HB2 LEU 13 1.581 -1.846 -8.571
254 HB3 LEU 13 HB1 LEU 13 2.175 -2.425 -7.015
255 HG LEU 13 HG LEU 13 4.343 -1.298 -7.436
256 HD11 LEU 13 HD11 LEU 13 2.932 -0.456 -9.978
257 HD12 LEU 13 HD12 LEU 13 4.466 -1.312 -9.829
258 HD13 LEU 13 HD13 LEU 13 4.352 0.382 -9.353
259 HD21 LEU 13 HD21 LEU 13 3.575 0.909 -6.962
260 HD22 LEU 13 HD22 LEU 13 2.318 -0.159 -6.339
261 HD23 LEU 13 HD23 LEU 13 2.088 0.670 -7.878
262 H LYS 14 HN LYS 14 3.359 -4.517 -6.476
263 HA LYS 14 HA LYS 14 5.991 -3.865 -5.788
264 HB2 LYS 14 HB2 LYS 14 4.138 -6.083 -4.956
265 HB3 LYS 14 HB1 LYS 14 5.794 -6.016 -4.352
266 HG2 LYS 14 HG2 LYS 14 3.912 -3.653 -4.189
267 HG3 LYS 14 HG1 LYS 14 4.039 -4.855 -2.905
268 HD2 LYS 14 HD2 LYS 14 6.476 -4.406 -2.746
269 HD3 LYS 14 HD1 LYS 14 6.313 -3.162 -3.984
270 HE2 LYS 14 HE2 LYS 14 4.758 -1.915 -2.550
271 HE3 LYS 14 HE1 LYS 14 4.885 -3.164 -1.311
272 HZ1 LYS 14 HZ1 LYS 14 7.351 -1.944 -2.314
273 HZ2 LYS 14 HZ2 LYS 14 6.991 -2.546 -0.766
274 HZ3 LYS 14 HZ3 LYS 14 6.388 -1.035 -1.255
275 H SER 15 HN SER 15 4.713 -6.761 -7.406
276 HA SER 15 HA SER 15 7.122 -8.167 -7.653
277 HB2 SER 15 HB2 SER 15 4.700 -8.118 -9.468
278 HB3 SER 15 HB1 SER 15 6.014 -9.285 -9.600
279 HG SER 15 HG SER 15 4.531 -8.822 -7.224
280 H PHE 16 HN PHE 16 5.584 -5.831 -9.854
281 HA PHE 16 HA PHE 16 7.483 -5.914 -11.908
282 HB2 PHE 16 HB2 PHE 16 5.756 -3.619 -10.948
283 HB3 PHE 16 HB1 PHE 16 6.682 -3.602 -12.447
284 HD1 PHE 16 HD1 PHE 16 3.506 -3.702 -11.622
285 HD2 PHE 16 HD2 PHE 16 6.348 -6.386 -13.405
286 HE1 PHE 16 HE1 PHE 16 1.660 -4.895 -12.770
287 HE2 PHE 16 HE2 PHE 16 4.501 -7.578 -14.551
288 HZ PHE 16 HZ PHE 16 2.157 -6.833 -14.235
289 H GLN 17 HN GLN 17 7.321 -3.825 -9.034
290 HA GLN 17 HA GLN 17 9.595 -2.278 -9.553
291 HB2 GLN 17 HB2 GLN 17 7.818 -2.013 -7.691
292 HB3 GLN 17 HB1 GLN 17 8.841 -3.114 -6.765
293 HG2 GLN 17 HG2 GLN 17 10.051 -0.728 -8.139
294 HG3 GLN 17 HG1 GLN 17 9.268 -0.540 -6.573
295 HE21 GLN 17 HE21 GLN 17 12.188 -0.309 -7.202
296 HE22 GLN 17 HE22 GLN 17 12.956 -1.465 -6.225
297 H1 ALA 1 HT1 ALA 1 7.525 15.987 2.571
298 H2 ALA 1 HT2 ALA 1 5.902 15.510 2.726
299 H3 ALA 1 HT3 ALA 1 7.068 14.403 2.176
300 HA ALA 1 HA ALA 1 8.141 14.351 4.293
301 HB1 ALA 1 HB1 ALA 1 7.724 16.762 4.800
302 HB2 ALA 1 HB2 ALA 1 7.322 15.703 6.152
303 HB3 ALA 1 HB3 ALA 1 6.039 16.368 5.140
304 H THR 2 HN THR 2 4.647 14.804 3.806
305 HA THR 2 HA THR 2 3.822 12.842 5.686
306 HB THR 2 HB THR 2 1.645 12.970 4.524
307 HG1 THR 2 HG1 THR 2 1.468 14.086 2.650
308 HG21 THR 2 HG21 THR 2 3.107 15.573 5.016
309 HG22 THR 2 HG22 THR 2 2.081 14.688 6.145
310 HG23 THR 2 HG23 THR 2 1.368 15.479 4.739
311 H LEU 3 HN LEU 3 4.494 12.739 2.209
312 HA LEU 3 HA LEU 3 3.590 10.144 1.671
313 HB2 LEU 3 HB2 LEU 3 5.876 11.715 0.457
314 HB3 LEU 3 HB1 LEU 3 5.233 10.219 -0.217
315 HG LEU 3 HG LEU 3 3.570 12.699 0.305
316 HD11 LEU 3 HD11 LEU 3 4.911 11.664 -2.203
317 HD12 LEU 3 HD12 LEU 3 5.111 13.245 -1.448
318 HD13 LEU 3 HD13 LEU 3 3.588 12.831 -2.235
319 HD21 LEU 3 HD21 LEU 3 2.174 10.753 0.309
320 HD22 LEU 3 HD22 LEU 3 3.043 10.045 -1.051
321 HD23 LEU 3 HD23 LEU 3 2.016 11.454 -1.301
322 H GLU 4 HN GLU 4 6.802 11.271 2.709
323 HA GLU 4 HA GLU 4 8.104 8.793 2.706
324 HB2 GLU 4 HB2 GLU 4 8.526 11.262 4.396
325 HB3 GLU 4 HB1 GLU 4 9.593 9.860 4.461
326 HG2 GLU 4 HG2 GLU 4 10.643 11.225 2.869
327 HG3 GLU 4 HG1 GLU 4 9.704 10.118 1.871
328 H LYS 5 HN LYS 5 6.326 10.429 5.319
329 HA LYS 5 HA LYS 5 6.742 8.525 7.327
330 HB2 LYS 5 HB2 LYS 5 4.448 10.424 6.815
331 HB3 LYS 5 HB1 LYS 5 4.558 9.420 8.261
332 HG2 LYS 5 HG2 LYS 5 6.669 10.440 8.882
333 HG3 LYS 5 HG1 LYS 5 6.727 11.338 7.365
334 HD2 LYS 5 HD2 LYS 5 5.937 12.842 9.090
335 HD3 LYS 5 HD1 LYS 5 4.577 12.464 8.032
336 HE2 LYS 5 HE2 LYS 5 3.770 10.783 9.616
337 HE3 LYS 5 HE1 LYS 5 5.165 11.065 10.657
338 HZ1 LYS 5 HZ1 LYS 5 3.648 12.427 11.635
339 HZ2 LYS 5 HZ2 LYS 5 2.818 12.751 10.188
340 HZ3 LYS 5 HZ3 LYS 5 4.299 13.519 10.512
341 H LEU 6 HN LEU 6 4.120 8.775 4.932
342 HA LEU 6 HA LEU 6 2.611 6.569 5.769
343 HB2 LEU 6 HB2 LEU 6 2.981 7.899 3.092
344 HB3 LEU 6 HB1 LEU 6 1.938 6.489 3.279
345 HG LEU 6 HG LEU 6 1.668 8.925 5.046
346 HD11 LEU 6 HD11 LEU 6 -0.233 9.557 3.534
347 HD12 LEU 6 HD12 LEU 6 0.307 8.315 2.404
348 HD13 LEU 6 HD13 LEU 6 1.345 9.696 2.760
349 HD21 LEU 6 HD21 LEU 6 0.043 6.459 4.423
350 HD22 LEU 6 HD22 LEU 6 -0.736 7.904 5.063
351 HD23 LEU 6 HD23 LEU 6 0.522 7.095 5.996
352 H MET 7 HN MET 7 5.253 6.757 3.392
353 HA MET 7 HA MET 7 5.248 4.076 2.593
354 HB2 MET 7 HB2 MET 7 6.537 5.867 1.468
355 HB3 MET 7 HB1 MET 7 7.639 5.914 2.844
356 HG2 MET 7 HG2 MET 7 8.604 4.506 1.112
357 HG3 MET 7 HG1 MET 7 8.132 3.490 2.472
358 HE1 MET 7 HE1 MET 7 7.350 0.948 -0.087
359 HE2 MET 7 HE2 MET 7 8.479 1.631 1.079
360 HE3 MET 7 HE3 MET 7 8.532 2.159 -0.601
361 H LYS 8 HN LYS 8 7.053 5.668 5.214
362 HA LYS 8 HA LYS 8 8.493 3.441 6.107
363 HB2 LYS 8 HB2 LYS 8 7.710 6.060 7.219
364 HB3 LYS 8 HB1 LYS 8 8.061 4.813 8.416
365 HG2 LYS 8 HG2 LYS 8 10.131 5.963 7.906
366 HG3 LYS 8 HG1 LYS 8 10.213 4.349 7.200
367 HD2 LYS 8 HD2 LYS 8 9.552 5.256 5.011
368 HD3 LYS 8 HD1 LYS 8 9.435 6.872 5.709
369 HE2 LYS 8 HE2 LYS 8 11.831 6.795 6.296
370 HE3 LYS 8 HE1 LYS 8 11.951 5.183 5.591
371 HZ1 LYS 8 HZ1 LYS 8 12.583 6.444 3.824
372 HZ2 LYS 8 HZ2 LYS 8 11.627 7.775 4.270
373 HZ3 LYS 8 HZ3 LYS 8 10.910 6.417 3.544
374 H ALA 9 HN ALA 9 5.302 4.647 7.118
375 HA ALA 9 HA ALA 9 4.780 2.750 9.111
376 HB1 ALA 9 HB1 ALA 9 3.365 4.688 8.879
377 HB2 ALA 9 HB2 ALA 9 2.369 3.253 8.637
378 HB3 ALA 9 HB3 ALA 9 2.894 4.207 7.249
379 H PHE 10 HN PHE 10 4.021 2.675 5.634
380 HA PHE 10 HA PHE 10 2.682 0.217 5.583
381 HB2 PHE 10 HB2 PHE 10 2.783 1.829 3.686
382 HB3 PHE 10 HB1 PHE 10 4.459 1.349 3.412
383 HD1 PHE 10 HD1 PHE 10 0.956 0.117 3.501
384 HD2 PHE 10 HD2 PHE 10 5.001 -0.703 2.311
385 HE1 PHE 10 HE1 PHE 10 0.176 -1.848 2.208
386 HE2 PHE 10 HE2 PHE 10 4.220 -2.668 1.016
387 HZ PHE 10 HZ PHE 10 1.807 -3.240 0.966
388 H GLU 11 HN GLU 11 6.139 0.937 5.148
389 HA GLU 11 HA GLU 11 7.023 -1.673 4.650
390 HB2 GLU 11 HB2 GLU 11 8.395 0.671 5.981
391 HB3 GLU 11 HB1 GLU 11 9.222 -0.834 5.581
392 HG2 GLU 11 HG2 GLU 11 7.773 0.957 3.607
393 HG3 GLU 11 HG1 GLU 11 9.522 0.845 3.795
394 H SER 12 HN SER 12 6.704 0.077 7.734
395 HA SER 12 HA SER 12 7.692 -1.928 9.422
396 HB2 SER 12 HB2 SER 12 5.582 0.181 9.930
397 HB3 SER 12 HB1 SER 12 6.308 -0.815 11.188
398 HG SER 12 HG SER 12 7.573 0.950 11.125
399 H LEU 13 HN LEU 13 4.367 -1.286 8.322
400 HA LEU 13 HA LEU 13 3.085 -3.336 9.733
401 HB2 LEU 13 HB2 LEU 13 1.846 -1.581 8.571
402 HB3 LEU 13 HB1 LEU 13 2.425 -2.175 7.015
403 HG LEU 13 HG LEU 13 1.298 -4.343 7.436
404 HD11 LEU 13 HD11 LEU 13 0.456 -2.932 9.978
405 HD12 LEU 13 HD12 LEU 13 1.312 -4.467 9.829
406 HD13 LEU 13 HD13 LEU 13 -0.382 -4.351 9.353
407 HD21 LEU 13 HD21 LEU 13 -0.909 -3.575 6.962
408 HD22 LEU 13 HD22 LEU 13 0.159 -2.318 6.338
409 HD23 LEU 13 HD23 LEU 13 -0.670 -2.088 7.878
410 H LYS 14 HN LYS 14 4.517 -3.359 6.476
411 HA LYS 14 HA LYS 14 3.865 -5.991 5.788
412 HB2 LYS 14 HB2 LYS 14 6.083 -4.138 4.956
413 HB3 LYS 14 HB1 LYS 14 6.016 -5.794 4.352
414 HG2 LYS 14 HG2 LYS 14 3.653 -3.912 4.189
415 HG3 LYS 14 HG1 LYS 14 4.855 -4.039 2.905
416 HD2 LYS 14 HD2 LYS 14 4.406 -6.476 2.746
417 HD3 LYS 14 HD1 LYS 14 3.162 -6.313 3.984
418 HE2 LYS 14 HE2 LYS 14 1.915 -4.758 2.550
419 HE3 LYS 14 HE1 LYS 14 3.164 -4.885 1.311
420 HZ1 LYS 14 HZ1 LYS 14 1.944 -7.351 2.314
421 HZ2 LYS 14 HZ2 LYS 14 2.546 -6.991 0.766
422 HZ3 LYS 14 HZ3 LYS 14 1.035 -6.388 1.255
423 H SER 15 HN SER 15 6.761 -4.713 7.406
424 HA SER 15 HA SER 15 8.156 -7.129 7.649
425 HB2 SER 15 HB2 SER 15 9.399 -6.052 9.454
426 HB3 SER 15 HB1 SER 15 9.155 -4.917 8.132
427 HG SER 15 HG SER 15 8.630 -4.366 10.506
428 H PHE 16 HN PHE 16 5.831 -5.584 9.854
429 HA PHE 16 HA PHE 16 5.914 -7.482 11.908
430 HB2 PHE 16 HB2 PHE 16 3.623 -5.752 10.946
431 HB3 PHE 16 HB1 PHE 16 3.603 -6.676 12.446
432 HD1 PHE 16 HD1 PHE 16 3.737 -3.496 11.597
433 HD2 PHE 16 HD2 PHE 16 6.369 -6.360 13.420
434 HE1 PHE 16 HE1 PHE 16 4.944 -1.658 12.743
435 HE2 PHE 16 HE2 PHE 16 7.575 -4.522 14.567
436 HZ PHE 16 HZ PHE 16 6.863 -2.171 14.228
437 H GLN 17 HN GLN 17 3.825 -7.321 9.034
438 HA GLN 17 HA GLN 17 2.278 -9.595 9.553
439 HB2 GLN 17 HB2 GLN 17 2.013 -7.818 7.691
440 HB3 GLN 17 HB1 GLN 17 3.114 -8.841 6.765
441 HG2 GLN 17 HG2 GLN 17 0.728 -10.051 8.139
442 HG3 GLN 17 HG1 GLN 17 0.540 -9.268 6.573
443 HE21 GLN 17 HE21 GLN 17 0.309 -12.188 7.202
444 HE22 GLN 17 HE22 GLN 17 1.465 -12.956 6.225
445 H1 ALA 1 HT1 ALA 1 -7.525 -15.987 2.571
446 H2 ALA 1 HT2 ALA 1 -5.902 -15.510 2.726
447 H3 ALA 1 HT3 ALA 1 -7.068 -14.403 2.176
448 HA ALA 1 HA ALA 1 -8.141 -14.351 4.293
449 HB1 ALA 1 HB1 ALA 1 -7.724 -16.762 4.800
450 HB2 ALA 1 HB2 ALA 1 -7.322 -15.703 6.152
451 HB3 ALA 1 HB3 ALA 1 -6.039 -16.368 5.140
452 H THR 2 HN THR 2 -4.647 -14.804 3.806
453 HA THR 2 HA THR 2 -3.822 -12.842 5.686
454 HB THR 2 HB THR 2 -1.645 -12.970 4.524
455 HG1 THR 2 HG1 THR 2 -1.468 -14.086 2.650
456 HG21 THR 2 HG21 THR 2 -3.107 -15.573 5.016
457 HG22 THR 2 HG22 THR 2 -2.081 -14.688 6.145
458 HG23 THR 2 HG23 THR 2 -1.368 -15.479 4.739
459 H LEU 3 HN LEU 3 -4.494 -12.739 2.209
460 HA LEU 3 HA LEU 3 -3.590 -10.144 1.671
461 HB2 LEU 3 HB2 LEU 3 -5.876 -11.715 0.457
462 HB3 LEU 3 HB1 LEU 3 -5.233 -10.219 -0.217
463 HG LEU 3 HG LEU 3 -3.570 -12.699 0.305
464 HD11 LEU 3 HD11 LEU 3 -4.911 -11.664 -2.203
465 HD12 LEU 3 HD12 LEU 3 -5.111 -13.245 -1.448
466 HD13 LEU 3 HD13 LEU 3 -3.588 -12.831 -2.235
467 HD21 LEU 3 HD21 LEU 3 -2.174 -10.753 0.309
468 HD22 LEU 3 HD22 LEU 3 -3.043 -10.045 -1.051
469 HD23 LEU 3 HD23 LEU 3 -2.016 -11.454 -1.301
470 H GLU 4 HN GLU 4 -6.802 -11.271 2.709
471 HA GLU 4 HA GLU 4 -8.104 -8.793 2.706
472 HB2 GLU 4 HB2 GLU 4 -8.526 -11.262 4.396
473 HB3 GLU 4 HB1 GLU 4 -9.593 -9.860 4.461
474 HG2 GLU 4 HG2 GLU 4 -10.643 -11.225 2.869
475 HG3 GLU 4 HG1 GLU 4 -9.704 -10.118 1.871
476 H LYS 5 HN LYS 5 -6.326 -10.429 5.319
477 HA LYS 5 HA LYS 5 -6.742 -8.525 7.327
478 HB2 LYS 5 HB2 LYS 5 -4.448 -10.424 6.815
479 HB3 LYS 5 HB1 LYS 5 -4.558 -9.420 8.261
480 HG2 LYS 5 HG2 LYS 5 -6.669 -10.440 8.882
481 HG3 LYS 5 HG1 LYS 5 -6.727 -11.338 7.365
482 HD2 LYS 5 HD2 LYS 5 -5.937 -12.842 9.090
483 HD3 LYS 5 HD1 LYS 5 -4.577 -12.464 8.032
484 HE2 LYS 5 HE2 LYS 5 -3.770 -10.783 9.616
485 HE3 LYS 5 HE1 LYS 5 -5.165 -11.065 10.657
486 HZ1 LYS 5 HZ1 LYS 5 -3.648 -12.427 11.635
487 HZ2 LYS 5 HZ2 LYS 5 -2.818 -12.751 10.188
488 HZ3 LYS 5 HZ3 LYS 5 -4.299 -13.519 10.512
489 H LEU 6 HN LEU 6 -4.120 -8.775 4.932
490 HA LEU 6 HA LEU 6 -2.611 -6.569 5.769
491 HB2 LEU 6 HB2 LEU 6 -2.981 -7.899 3.092
492 HB3 LEU 6 HB1 LEU 6 -1.938 -6.489 3.278
493 HG LEU 6 HG LEU 6 -1.668 -8.925 5.046
494 HD11 LEU 6 HD11 LEU 6 0.233 -9.557 3.534
495 HD12 LEU 6 HD12 LEU 6 -0.307 -8.315 2.404
496 HD13 LEU 6 HD13 LEU 6 -1.345 -9.696 2.760
497 HD21 LEU 6 HD21 LEU 6 -0.043 -6.459 4.423
498 HD22 LEU 6 HD22 LEU 6 0.736 -7.904 5.063
499 HD23 LEU 6 HD23 LEU 6 -0.522 -7.095 5.996
500 H MET 7 HN MET 7 -5.253 -6.757 3.392
501 HA MET 7 HA MET 7 -5.248 -4.076 2.593
502 HB2 MET 7 HB2 MET 7 -6.537 -5.867 1.468
503 HB3 MET 7 HB1 MET 7 -7.639 -5.914 2.844
504 HG2 MET 7 HG2 MET 7 -8.604 -4.506 1.112
505 HG3 MET 7 HG1 MET 7 -8.132 -3.490 2.472
506 HE1 MET 7 HE1 MET 7 -7.350 -0.948 -0.087
507 HE2 MET 7 HE2 MET 7 -8.479 -1.631 1.079
508 HE3 MET 7 HE3 MET 7 -8.532 -2.159 -0.601
509 H LYS 8 HN LYS 8 -7.053 -5.668 5.214
510 HA LYS 8 HA LYS 8 -8.493 -3.441 6.107
511 HB2 LYS 8 HB2 LYS 8 -7.710 -6.060 7.219
512 HB3 LYS 8 HB1 LYS 8 -8.061 -4.813 8.416
513 HG2 LYS 8 HG2 LYS 8 -10.131 -5.963 7.906
514 HG3 LYS 8 HG1 LYS 8 -10.213 -4.349 7.200
515 HD2 LYS 8 HD2 LYS 8 -9.552 -5.256 5.011
516 HD3 LYS 8 HD1 LYS 8 -9.435 -6.872 5.709
517 HE2 LYS 8 HE2 LYS 8 -11.831 -6.795 6.296
518 HE3 LYS 8 HE1 LYS 8 -11.951 -5.183 5.591
519 HZ1 LYS 8 HZ1 LYS 8 -12.583 -6.444 3.824
520 HZ2 LYS 8 HZ2 LYS 8 -11.627 -7.775 4.270
521 HZ3 LYS 8 HZ3 LYS 8 -10.910 -6.417 3.544
522 H ALA 9 HN ALA 9 -5.302 -4.647 7.118
523 HA ALA 9 HA ALA 9 -4.780 -2.750 9.111
524 HB1 ALA 9 HB1 ALA 9 -3.365 -4.689 8.879
525 HB2 ALA 9 HB2 ALA 9 -2.369 -3.254 8.638
526 HB3 ALA 9 HB3 ALA 9 -2.893 -4.207 7.250
527 H PHE 10 HN PHE 10 -4.021 -2.675 5.634
528 HA PHE 10 HA PHE 10 -2.682 -0.217 5.583
529 HB2 PHE 10 HB2 PHE 10 -2.783 -1.829 3.686
530 HB3 PHE 10 HB1 PHE 10 -4.459 -1.349 3.412
531 HD1 PHE 10 HD1 PHE 10 -0.956 -0.117 3.501
532 HD2 PHE 10 HD2 PHE 10 -5.001 0.703 2.311
533 HE1 PHE 10 HE1 PHE 10 -0.176 1.848 2.208
534 HE2 PHE 10 HE2 PHE 10 -4.220 2.668 1.016
535 HZ PHE 10 HZ PHE 10 -1.807 3.240 0.966
536 H GLU 11 HN GLU 11 -6.139 -0.937 5.148
537 HA GLU 11 HA GLU 11 -7.023 1.673 4.650
538 HB2 GLU 11 HB2 GLU 11 -8.395 -0.671 5.981
539 HB3 GLU 11 HB1 GLU 11 -9.222 0.834 5.581
540 HG2 GLU 11 HG2 GLU 11 -7.773 -0.957 3.607
541 HG3 GLU 11 HG1 GLU 11 -9.522 -0.845 3.795
542 H SER 12 HN SER 12 -6.704 -0.077 7.734
543 HA SER 12 HA SER 12 -7.691 1.934 9.414
544 HB2 SER 12 HB2 SER 12 -6.488 0.807 11.215
545 HB3 SER 12 HB1 SER 12 -7.250 -0.381 10.163
546 HG SER 12 HG SER 12 -4.561 0.260 10.522
547 H LEU 13 HN LEU 13 -4.367 1.286 8.322
548 HA LEU 13 HA LEU 13 -3.084 3.336 9.733
549 HB2 LEU 13 HB2 LEU 13 -1.845 1.581 8.570
550 HB3 LEU 13 HB1 LEU 13 -2.425 2.175 7.014
551 HG LEU 13 HG LEU 13 -1.298 4.343 7.435
552 HD11 LEU 13 HD11 LEU 13 -0.460 2.932 9.978
553 HD12 LEU 13 HD12 LEU 13 -1.311 4.469 9.827
554 HD13 LEU 13 HD13 LEU 13 0.383 4.349 9.352
555 HD21 LEU 13 HD21 LEU 13 0.908 3.575 6.961
556 HD22 LEU 13 HD22 LEU 13 -0.159 2.318 6.338
557 HD23 LEU 13 HD23 LEU 13 0.669 2.088 7.877
558 H LYS 14 HN LYS 14 -4.517 3.359 6.476
559 HA LYS 14 HA LYS 14 -3.865 5.991 5.788
560 HB2 LYS 14 HB2 LYS 14 -6.083 4.138 4.956
561 HB3 LYS 14 HB1 LYS 14 -6.016 5.794 4.352
562 HG2 LYS 14 HG2 LYS 14 -3.653 3.912 4.189
563 HG3 LYS 14 HG1 LYS 14 -4.855 4.039 2.905
564 HD2 LYS 14 HD2 LYS 14 -4.406 6.476 2.746
565 HD3 LYS 14 HD1 LYS 14 -3.162 6.313 3.984
566 HE2 LYS 14 HE2 LYS 14 -1.915 4.758 2.550
567 HE3 LYS 14 HE1 LYS 14 -3.164 4.885 1.311
568 HZ1 LYS 14 HZ1 LYS 14 -1.944 7.351 2.314
569 HZ2 LYS 14 HZ2 LYS 14 -2.546 6.991 0.766
570 HZ3 LYS 14 HZ3 LYS 14 -1.035 6.388 1.255
571 H SER 15 HN SER 15 -6.761 4.713 7.406
572 HA SER 15 HA SER 15 -8.156 7.128 7.649
573 HB2 SER 15 HB2 SER 15 -9.400 6.050 9.454
574 HB3 SER 15 HB1 SER 15 -9.152 4.914 8.131
575 HG SER 15 HG SER 15 -7.744 5.105 10.584
576 H PHE 16 HN PHE 16 -5.831 5.584 9.854
577 HA PHE 16 HA PHE 16 -5.914 7.480 11.910
578 HB2 PHE 16 HB2 PHE 16 -4.784 5.360 12.215
579 HB3 PHE 16 HB1 PHE 16 -3.624 5.752 10.945
580 HD1 PHE 16 HD1 PHE 16 -4.871 6.862 14.284
581 HD2 PHE 16 HD2 PHE 16 -1.673 7.001 11.421
582 HE1 PHE 16 HE1 PHE 16 -3.432 8.006 15.947
583 HE2 PHE 16 HE2 PHE 16 -0.233 8.145 13.083
584 HZ PHE 16 HZ PHE 16 -1.113 8.649 15.347
585 H GLN 17 HN GLN 17 -3.825 7.321 9.034
586 HA GLN 17 HA GLN 17 -2.278 9.595 9.553
587 HB2 GLN 17 HB2 GLN 17 -2.013 7.818 7.691
588 HB3 GLN 17 HB1 GLN 17 -3.114 8.841 6.765
589 HG2 GLN 17 HG2 GLN 17 -0.727 10.051 8.138
590 HG3 GLN 17 HG1 GLN 17 -0.541 9.268 6.572
591 HE21 GLN 17 HE21 GLN 17 -0.309 12.188 7.203
592 HE22 GLN 17 HE22 GLN 17 -1.466 12.956 6.227