Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
640562 | 6kbo RC | 36265 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 VAL 1 H VAL 1 1.807 0.001 0.856
2 HA VAL 1 HA VAL 1 1.974 -0.970 -1.706
3 HB VAL 1 HB VAL 1 2.186 1.036 -3.112
4 HG11 VAL 1 HG11 VAL 1 0.029 0.891 -3.683
5 HG12 VAL 1 HG12 VAL 1 -0.125 -0.218 -2.319
6 HG13 VAL 1 HG13 VAL 1 -0.516 1.490 -2.116
7 HG21 VAL 1 HG21 VAL 1 1.463 2.410 -0.556
8 HG22 VAL 1 HG22 VAL 1 2.726 2.808 -1.722
9 HG23 VAL 1 HG23 VAL 1 1.036 3.137 -2.105
10 H ALA 2 H ALA 2 4.073 -1.185 -2.288
11 HA ALA 2 HA ALA 2 6.052 0.339 -0.721
12 HB1 ALA 2 HB1 ALA 2 5.769 -2.238 -0.428
13 HB2 ALA 2 HB2 ALA 2 6.696 -2.314 -1.927
14 HB3 ALA 2 HB3 ALA 2 7.381 -1.528 -0.505
15 H ARG 3 H ARG 3 5.572 1.844 -2.657
16 HA ARG 3 HA ARG 3 7.442 1.172 -4.834
17 HB2 ARG 3 HB2 ARG 3 5.543 3.236 -5.547
18 HB3 ARG 3 HB3 ARG 3 5.914 1.727 -6.370
19 HG2 ARG 3 HG2 ARG 3 4.383 0.546 -4.852
20 HG3 ARG 3 HG3 ARG 3 3.980 2.086 -4.091
21 HD2 ARG 3 HD2 ARG 3 3.545 2.697 -6.681
22 HD3 ARG 3 HD3 ARG 3 3.154 0.978 -6.695
23 HE ARG 3 HE ARG 3 1.281 1.418 -5.438
24 HH11 ARG 3 HH11 ARG 3 3.340 4.224 -5.496
25 HH12 ARG 3 HH12 ARG 3 2.161 5.265 -4.769
26 HH21 ARG 3 HH21 ARG 3 -0.279 2.778 -4.479
27 HH22 ARG 3 HH22 ARG 3 0.104 4.441 -4.190
28 H GLY 4 H GLY 4 6.976 3.081 -2.182
29 HA2 GLY 4 HA2 GLY 4 8.337 5.420 -3.325
30 HA3 GLY 4 HA3 GLY 4 7.534 5.361 -1.763
31 H TRP 5 H TRP 5 9.203 2.562 -1.945
32 HA TRP 5 HA TRP 5 11.578 3.752 -0.667
33 HB2 TRP 5 HB2 TRP 5 9.934 1.350 0.028
34 HB3 TRP 5 HB3 TRP 5 11.650 1.355 0.425
35 HD1 TRP 5 HD1 TRP 5 10.334 4.789 0.723
36 HE1 TRP 5 HE1 TRP 5 9.892 5.379 3.189
37 HE3 TRP 5 HE3 TRP 5 10.674 0.108 2.751
38 HZ2 TRP 5 HZ2 TRP 5 9.711 4.038 5.666
39 HZ3 TRP 5 HZ3 TRP 5 10.354 -0.152 5.177
40 HH2 TRP 5 HH2 TRP 5 9.883 1.774 6.603
41 H LYS 6 H LYS 6 10.467 1.989 -3.291
42 HA LYS 6 HA LYS 6 13.163 0.908 -3.794
43 HB2 LYS 6 HB2 LYS 6 12.054 -0.812 -5.214
44 HB3 LYS 6 HB3 LYS 6 11.637 -0.932 -3.509
45 HG2 LYS 6 HG2 LYS 6 9.542 -1.095 -4.277
46 HG3 LYS 6 HG3 LYS 6 9.643 0.663 -4.405
47 HD2 LYS 6 HD2 LYS 6 8.966 0.208 -6.527
48 HD3 LYS 6 HD3 LYS 6 10.705 0.025 -6.765
49 HE2 LYS 6 HE2 LYS 6 10.519 -2.375 -6.491
50 HE3 LYS 6 HE3 LYS 6 8.799 -2.227 -6.136
51 HZ1 LYS 6 HZ1 LYS 6 8.362 -1.534 -8.340
52 HZ2 LYS 6 HZ2 LYS 6 9.351 -2.900 -8.460
53 HZ3 LYS 6 HZ3 LYS 6 10.005 -1.359 -8.701
54 H ARG 7 H ARG 7 10.243 2.252 -5.295
55 HA ARG 7 HA ARG 7 11.465 2.629 -7.848
56 HB2 ARG 7 HB2 ARG 7 8.919 2.497 -7.115
57 HB3 ARG 7 HB3 ARG 7 9.102 4.242 -7.007
58 HG2 ARG 7 HG2 ARG 7 8.256 3.762 -9.163
59 HG3 ARG 7 HG3 ARG 7 9.953 4.203 -9.365
60 HD2 ARG 7 HD2 ARG 7 9.895 1.423 -8.946
61 HD3 ARG 7 HD3 ARG 7 8.605 1.779 -10.094
62 HE ARG 7 HE ARG 7 11.031 3.098 -10.789
63 HH11 ARG 7 HH11 ARG 7 9.391 0.029 -10.894
64 HH12 ARG 7 HH12 ARG 7 10.261 -0.536 -12.281
65 HH21 ARG 7 HH21 ARG 7 12.183 2.366 -12.616
66 HH22 ARG 7 HH22 ARG 7 11.850 0.794 -13.260
67 H LYS 8 H LYS 8 10.594 4.836 -5.196
68 HA LYS 8 HA LYS 8 11.553 7.192 -6.351
69 HB2 LYS 8 HB2 LYS 8 10.954 6.282 -3.584
70 HB3 LYS 8 HB3 LYS 8 11.935 7.731 -3.757
71 HG2 LYS 8 HG2 LYS 8 9.537 8.216 -3.512
72 HG3 LYS 8 HG3 LYS 8 10.203 8.811 -5.034
73 HD2 LYS 8 HD2 LYS 8 8.965 7.388 -6.283
74 HD3 LYS 8 HD3 LYS 8 9.077 6.084 -5.099
75 HE2 LYS 8 HE2 LYS 8 6.954 6.542 -4.592
76 HE3 LYS 8 HE3 LYS 8 7.564 8.001 -3.811
77 HZ1 LYS 8 HZ1 LYS 8 6.939 9.310 -5.559
78 HZ2 LYS 8 HZ2 LYS 8 5.720 8.139 -5.628
79 HZ3 LYS 8 HZ3 LYS 8 7.030 8.060 -6.696
80 H CYS 9 H CYS 9 13.170 5.714 -3.560
81 HA CYS 9 HA CYS 9 15.747 6.209 -4.901
82 HB2 CYS 9 HB2 CYS 9 14.962 6.605 -2.016
83 HB3 CYS 9 HB3 CYS 9 16.642 6.504 -2.528
84 HG CYS 9 HG CYS 9 16.889 8.942 -3.315
85 HA PRO 10 HA PRO 10 16.198 1.813 -4.387
86 HB2 PRO 10 HB2 PRO 10 18.705 1.662 -5.418
87 HB3 PRO 10 HB3 PRO 10 17.262 1.844 -6.423
88 HG2 PRO 10 HG2 PRO 10 19.215 3.924 -5.518
89 HG3 PRO 10 HG3 PRO 10 18.475 3.703 -7.114
90 HD2 PRO 10 HD2 PRO 10 17.589 5.548 -5.341
91 HD3 PRO 10 HD3 PRO 10 16.507 4.725 -6.483
92 H LEU 11 H LEU 11 16.701 3.588 -2.122
93 HA LEU 11 HA LEU 11 19.242 2.678 -1.032
94 HB2 LEU 11 HB2 LEU 11 17.113 4.459 0.143
95 HB3 LEU 11 HB3 LEU 11 18.675 4.114 0.881
96 HG LEU 11 HG LEU 11 18.465 5.415 -1.817
97 HD11 LEU 11 HD11 LEU 11 17.553 7.209 -0.875
98 HD12 LEU 11 HD12 LEU 11 19.060 7.406 0.018
99 HD13 LEU 11 HD13 LEU 11 17.714 6.528 0.745
100 HD21 LEU 11 HD21 LEU 11 20.579 4.883 0.191
101 HD22 LEU 11 HD22 LEU 11 20.665 6.405 -0.696
102 HD23 LEU 11 HD23 LEU 11 20.658 4.873 -1.571
103 H PHE 12 H PHE 12 15.797 2.541 -0.133
104 HA PHE 12 HA PHE 12 16.317 0.554 1.898
105 HB2 PHE 12 HB2 PHE 12 14.490 2.423 1.882
106 HB3 PHE 12 HB3 PHE 12 13.571 1.266 0.927
107 HD1 PHE 12 HD1 PHE 12 14.733 2.176 4.214
108 HD2 PHE 12 HD2 PHE 12 12.994 -0.947 1.905
109 HE1 PHE 12 HE1 PHE 12 14.009 1.055 6.282
110 HE2 PHE 12 HE2 PHE 12 12.266 -2.073 3.968
111 HZ PHE 12 HZ PHE 12 12.773 -1.071 6.160
112 H GLY 13 H GLY 13 15.738 0.548 -1.436
113 HA2 GLY 13 HA2 GLY 13 14.683 -2.200 -1.376
114 HA3 GLY 13 HA3 GLY 13 14.618 -1.116 -2.757
115 H LYS 14 H LYS 14 16.502 -0.781 -4.008
116 HA LYS 14 HA LYS 14 17.996 -3.014 -4.599
117 HB2 LYS 14 HB2 LYS 14 17.727 -0.752 -5.864
118 HB3 LYS 14 HB3 LYS 14 19.166 -0.276 -4.971
119 HG2 LYS 14 HG2 LYS 14 20.416 -1.264 -6.502
120 HG3 LYS 14 HG3 LYS 14 19.691 -2.816 -6.076
121 HD2 LYS 14 HD2 LYS 14 18.750 -2.888 -8.088
122 HD3 LYS 14 HD3 LYS 14 17.807 -1.455 -7.670
123 HE2 LYS 14 HE2 LYS 14 19.924 -0.145 -8.345
124 HE3 LYS 14 HE3 LYS 14 20.414 -1.640 -9.140
125 HZ1 LYS 14 HZ1 LYS 14 19.208 -0.024 -10.582
126 HZ2 LYS 14 HZ2 LYS 14 17.821 -0.296 -9.654
127 HZ3 LYS 14 HZ3 LYS 14 18.514 -1.566 -10.531
128 H GLY 15 H GLY 15 18.989 -0.245 -2.588
129 HA2 GLY 15 HA2 GLY 15 21.518 -1.364 -1.907
130 HA3 GLY 15 HA3 GLY 15 20.736 -0.007 -1.109
131 H GLY 16 H GLY 16 18.336 -1.447 -0.395
132 HA2 GLY 16 HA2 GLY 16 19.048 -2.382 2.131
133 HA3 GLY 16 HA3 GLY 16 17.520 -2.719 1.331
134 H1 LYS 1 H LYS 1 18.250 4.680 4.413
135 HA LYS 1 HA LYS 1 16.796 6.993 5.460
136 HB2 LYS 1 HB2 LYS 1 18.163 6.351 2.888
137 HB3 LYS 1 HB3 LYS 1 16.829 7.497 2.851
138 HG2 LYS 1 HG2 LYS 1 17.947 8.980 4.324
139 HG3 LYS 1 HG3 LYS 1 19.185 7.778 4.698
140 HD2 LYS 1 HD2 LYS 1 19.063 8.203 1.863
141 HD3 LYS 1 HD3 LYS 1 19.242 9.751 2.693
142 HE2 LYS 1 HE2 LYS 1 20.974 7.339 3.215
143 HE3 LYS 1 HE3 LYS 1 21.397 8.634 2.095
144 HZ1 LYS 1 HZ1 LYS 1 20.654 9.692 4.618
145 HZ2 LYS 1 HZ2 LYS 1 22.106 9.875 3.770
146 HZ3 LYS 1 HZ3 LYS 1 21.892 8.554 4.805
147 H TYR 2 H TYR 2 14.767 6.318 5.961
148 HA TYR 2 HA TYR 2 13.202 5.099 3.781
149 HB2 TYR 2 HB2 TYR 2 11.801 4.543 6.099
150 HB3 TYR 2 HB3 TYR 2 12.832 3.417 5.222
151 HD1 TYR 2 HD1 TYR 2 12.581 5.618 8.144
152 HD2 TYR 2 HD2 TYR 2 15.031 2.837 6.055
153 HE1 TYR 2 HE1 TYR 2 14.037 5.427 10.118
154 HE2 TYR 2 HE2 TYR 2 16.493 2.638 8.023
155 HH TYR 2 HH TYR 2 17.035 3.597 10.018
156 H GLU 3 H GLU 3 12.833 7.027 6.760
157 HA GLU 3 HA GLU 3 10.312 8.056 6.258
158 HB2 GLU 3 HB2 GLU 3 10.960 9.924 7.758
159 HB3 GLU 3 HB3 GLU 3 11.367 8.343 8.409
160 HG2 GLU 3 HG2 GLU 3 13.672 8.926 7.168
161 HG3 GLU 3 HG3 GLU 3 13.118 10.553 7.559
162 H ILE 4 H ILE 4 13.471 9.346 5.289
163 HA ILE 4 HA ILE 4 12.381 11.635 3.975
164 HB ILE 4 HB ILE 4 14.582 12.103 3.216
165 HG12 ILE 4 HG12 ILE 4 16.307 10.113 3.886
166 HG13 ILE 4 HG13 ILE 4 14.896 9.172 3.416
167 HG21 ILE 4 HG21 ILE 4 14.676 10.786 5.925
168 HG22 ILE 4 HG22 ILE 4 15.924 11.856 5.289
169 HG23 ILE 4 HG23 ILE 4 14.297 12.472 5.574
170 HD11 ILE 4 HD11 ILE 4 16.792 9.988 1.706
171 HD12 ILE 4 HD12 ILE 4 15.116 9.691 1.242
172 HD13 ILE 4 HD13 ILE 4 15.661 11.335 1.576
173 H THR 5 H THR 5 12.113 8.481 3.206
174 HA THR 5 HA THR 5 12.363 8.891 0.309
175 HB THR 5 HB THR 5 11.632 6.201 1.235
176 HG1 THR 5 HG1 THR 5 13.996 7.486 2.117
177 HG21 THR 5 HG21 THR 5 13.153 7.500 -0.870
178 HG22 THR 5 HG22 THR 5 12.389 5.911 -0.850
179 HG23 THR 5 HG23 THR 5 14.010 6.119 -0.189
180 H THR 6 H THR 6 10.074 8.366 2.856
181 HA THR 6 HA THR 6 7.906 8.220 0.863
182 HB THR 6 HB THR 6 7.871 6.189 2.117
183 HG1 THR 6 HG1 THR 6 5.925 7.649 3.522
184 HG21 THR 6 HG21 THR 6 9.255 6.981 4.013
185 HG22 THR 6 HG22 THR 6 7.823 6.095 4.538
186 HG23 THR 6 HG23 THR 6 7.856 7.855 4.635
187 H ILE 7 H ILE 7 9.395 10.228 3.014
188 HA ILE 7 HA ILE 7 6.920 11.766 3.462
189 HB ILE 7 HB ILE 7 9.358 11.883 5.232
190 HG12 ILE 7 HG12 ILE 7 8.355 9.630 5.322
191 HG13 ILE 7 HG13 ILE 7 8.130 10.505 6.833
192 HG21 ILE 7 HG21 ILE 7 7.557 12.826 6.808
193 HG22 ILE 7 HG22 ILE 7 8.156 13.856 5.509
194 HG23 ILE 7 HG23 ILE 7 6.599 13.045 5.343
195 HD11 ILE 7 HD11 ILE 7 6.184 9.258 5.239
196 HD12 ILE 7 HD12 ILE 7 5.946 10.210 6.705
197 HD13 ILE 7 HD13 ILE 7 5.899 10.995 5.126
198 H HIS 8 H HIS 8 9.704 11.664 1.733
199 HA HIS 8 HA HIS 8 9.924 14.601 1.626
200 HB2 HIS 8 HB2 HIS 8 11.937 12.843 2.207
201 HB3 HIS 8 HB3 HIS 8 12.137 13.046 0.469
202 HD1 HIS 8 HD1 HIS 8 12.412 15.620 -0.331
203 HD2 HIS 8 HD2 HIS 8 12.991 14.852 3.710
204 HE1 HIS 8 HE1 HIS 8 13.647 17.619 0.563
205 H ASN 9 H ASN 9 9.070 11.785 -0.060
206 HA ASN 9 HA ASN 9 9.652 12.672 -2.710
207 HB2 ASN 9 HB2 ASN 9 9.435 10.363 -2.586
208 HB3 ASN 9 HB3 ASN 9 8.035 10.448 -1.520
209 HD21 ASN 9 HD21 ASN 9 6.252 9.791 -2.450
210 HD22 ASN 9 HD22 ASN 9 5.830 9.987 -4.114
211 H LEU 10 H LEU 10 6.525 12.228 -1.045
212 HA LEU 10 HA LEU 10 5.493 14.513 -2.591
213 HB2 LEU 10 HB2 LEU 10 3.494 13.443 -3.024
214 HB3 LEU 10 HB3 LEU 10 4.677 12.150 -3.215
215 HG LEU 10 HG LEU 10 3.952 11.906 -0.580
216 HD11 LEU 10 HD11 LEU 10 2.110 13.632 -1.322
217 HD12 LEU 10 HD12 LEU 10 1.724 12.287 -0.250
218 HD13 LEU 10 HD13 LEU 10 1.337 12.184 -1.968
219 HD21 LEU 10 HD21 LEU 10 4.086 10.311 -2.718
220 HD22 LEU 10 HD22 LEU 10 2.333 10.431 -2.570
221 HD23 LEU 10 HD23 LEU 10 3.294 9.833 -1.217
222 H PHE 11 H PHE 11 6.235 13.360 0.416
223 HA PHE 11 HA PHE 11 4.155 14.977 1.728
224 HB2 PHE 11 HB2 PHE 11 5.373 12.414 2.372
225 HB3 PHE 11 HB3 PHE 11 5.471 13.544 3.718
226 HD1 PHE 11 HD1 PHE 11 3.940 12.569 5.206
227 HD2 PHE 11 HD2 PHE 11 2.777 13.375 1.191
228 HE1 PHE 11 HE1 PHE 11 1.601 12.078 5.788
229 HE2 PHE 11 HE2 PHE 11 0.436 12.886 1.767
230 HZ PHE 11 HZ PHE 11 -0.155 12.237 4.068
231 H ARG 12 H ARG 12 6.779 15.802 0.474
232 HA ARG 12 HA ARG 12 8.730 16.450 2.300
233 HB2 ARG 12 HB2 ARG 12 9.198 18.433 0.823
234 HB3 ARG 12 HB3 ARG 12 9.107 16.888 -0.013
235 HG2 ARG 12 HG2 ARG 12 6.749 17.442 -0.618
236 HG3 ARG 12 HG3 ARG 12 7.017 19.049 0.059
237 HD2 ARG 12 HD2 ARG 12 7.354 19.167 -2.308
238 HD3 ARG 12 HD3 ARG 12 8.922 19.326 -1.518
239 HE ARG 12 HE ARG 12 8.697 16.660 -2.057
240 HH11 ARG 12 HH11 ARG 12 8.519 19.579 -3.947
241 HH12 ARG 12 HH12 ARG 12 9.122 18.835 -5.391
242 HH21 ARG 12 HH21 ARG 12 9.492 15.670 -3.952
243 HH22 ARG 12 HH22 ARG 12 9.675 16.612 -5.393
244 H LYS 13 H LYS 13 5.623 17.986 1.782
245 HA LYS 13 HA LYS 13 6.191 19.781 4.050
246 HB2 LYS 13 HB2 LYS 13 5.546 20.546 1.488
247 HB3 LYS 13 HB3 LYS 13 3.982 20.573 2.293
248 HG2 LYS 13 HG2 LYS 13 4.564 22.290 3.677
249 HG3 LYS 13 HG3 LYS 13 6.280 21.879 3.648
250 HD2 LYS 13 HD2 LYS 13 5.199 22.672 1.045
251 HD3 LYS 13 HD3 LYS 13 5.125 23.941 2.270
252 HE2 LYS 13 HE2 LYS 13 7.617 23.095 2.702
253 HE3 LYS 13 HE3 LYS 13 7.472 22.645 1.004
254 HZ1 LYS 13 HZ1 LYS 13 6.486 25.133 0.986
255 HZ2 LYS 13 HZ2 LYS 13 8.102 24.753 0.663
256 HZ3 LYS 13 HZ3 LYS 13 7.648 25.268 2.209
257 H LEU 14 H LEU 14 5.041 17.021 3.940
258 HA LEU 14 HA LEU 14 2.473 17.629 5.251
259 HB2 LEU 14 HB2 LEU 14 3.211 15.542 3.278
260 HB3 LEU 14 HB3 LEU 14 2.098 15.082 4.565
261 HG LEU 14 HG LEU 14 0.975 15.747 2.458
262 HD11 LEU 14 HD11 LEU 14 -0.725 16.251 3.784
263 HD12 LEU 14 HD12 LEU 14 -0.075 17.872 4.028
264 HD13 LEU 14 HD13 LEU 14 0.399 16.561 5.107
265 HD21 LEU 14 HD21 LEU 14 1.613 18.597 3.019
266 HD22 LEU 14 HD22 LEU 14 1.165 17.814 1.503
267 HD23 LEU 14 HD23 LEU 14 2.798 17.627 2.145
268 H THR 15 H THR 15 2.419 17.135 7.334
269 HA THR 15 HA THR 15 4.362 16.323 8.960
270 HB THR 15 HB THR 15 2.002 14.869 9.785
271 HG1 THR 15 HG1 THR 15 0.624 16.126 8.738
272 HG21 THR 15 HG21 THR 15 3.307 17.414 10.759
273 HG22 THR 15 HG22 THR 15 3.649 15.779 11.326
274 HG23 THR 15 HG23 THR 15 2.072 16.506 11.630
275 H HIS 16 H HIS 16 5.690 14.648 9.119
276 HA HIS 16 HA HIS 16 5.732 12.438 7.499
277 HB2 HIS 16 HB2 HIS 16 7.161 11.372 9.290
278 HB3 HIS 16 HB3 HIS 16 7.677 12.975 8.773
279 HD1 HIS 16 HD1 HIS 16 7.200 14.955 10.459
280 HD2 HIS 16 HD2 HIS 16 6.521 11.140 11.959
281 HE1 HIS 16 HE1 HIS 16 7.062 15.229 12.955
282 H ARG 17 H ARG 17 3.866 11.308 7.214
283 HA ARG 17 HA ARG 17 2.829 9.880 9.574
284 HB2 ARG 17 HB2 ARG 17 1.446 11.621 7.772
285 HB3 ARG 17 HB3 ARG 17 0.815 9.991 7.579
286 HG2 ARG 17 HG2 ARG 17 -0.339 10.155 9.459
287 HG3 ARG 17 HG3 ARG 17 1.107 10.606 10.365
288 HD2 ARG 17 HD2 ARG 17 0.673 12.925 9.143
289 HD3 ARG 17 HD3 ARG 17 -0.982 12.316 9.129
290 HE ARG 17 HE ARG 17 -0.045 11.980 11.708
291 HH11 ARG 17 HH11 ARG 17 -0.606 14.621 9.510
292 HH12 ARG 17 HH12 ARG 17 -0.943 15.766 10.766
293 HH21 ARG 17 HH21 ARG 17 -0.487 13.477 13.371
294 HH22 ARG 17 HH22 ARG 17 -0.874 15.114 12.962
295 H LEU 18 H LEU 18 3.035 9.787 6.020
296 HA LEU 18 HA LEU 18 2.366 7.106 5.672
297 HB2 LEU 18 HB2 LEU 18 4.312 8.709 4.022
298 HB3 LEU 18 HB3 LEU 18 3.443 7.264 3.510
299 HG LEU 18 HG LEU 18 1.988 9.770 4.298
300 HD11 LEU 18 HD11 LEU 18 3.102 9.063 1.588
301 HD12 LEU 18 HD12 LEU 18 3.521 10.461 2.578
302 HD13 LEU 18 HD13 LEU 18 1.904 10.323 1.888
303 HD21 LEU 18 HD21 LEU 18 0.668 7.743 4.159
304 HD22 LEU 18 HD22 LEU 18 1.301 7.411 2.546
305 HD23 LEU 18 HD23 LEU 18 0.269 8.816 2.817
306 H PHE 19 H PHE 19 5.113 8.457 7.119
307 HA PHE 19 HA PHE 19 7.153 6.692 6.469
308 HB2 PHE 19 HB2 PHE 19 7.697 8.614 7.760
309 HB3 PHE 19 HB3 PHE 19 6.549 8.180 9.022
310 HD1 PHE 19 HD1 PHE 19 7.932 8.078 10.904
311 HD2 PHE 19 HD2 PHE 19 9.011 5.959 7.374
312 HE1 PHE 19 HE1 PHE 19 9.727 6.937 12.142
313 HE2 PHE 19 HE2 PHE 19 10.807 4.814 8.606
314 HZ PHE 19 HZ PHE 19 11.166 5.302 10.993
315 H ARG 20 H ARG 20 4.847 6.460 9.176
316 HA ARG 20 HA ARG 20 5.448 3.578 9.314
317 HB2 ARG 20 HB2 ARG 20 4.765 3.682 11.682
318 HB3 ARG 20 HB3 ARG 20 6.140 4.724 11.342
319 HG2 ARG 20 HG2 ARG 20 3.808 6.276 10.984
320 HG3 ARG 20 HG3 ARG 20 3.632 5.392 12.502
321 HD2 ARG 20 HD2 ARG 20 6.054 7.019 11.739
322 HD3 ARG 20 HD3 ARG 20 4.732 7.610 12.745
323 HE ARG 20 HE ARG 20 6.858 5.865 13.541
324 HH11 ARG 20 HH11 ARG 20 3.556 6.779 14.161
325 HH12 ARG 20 HH12 ARG 20 3.584 6.253 15.812
326 HH21 ARG 20 HH21 ARG 20 6.907 5.169 15.713
327 HH22 ARG 20 HH22 ARG 20 5.490 5.338 16.694
328 H ARG 21 H ARG 21 3.080 5.931 8.692
329 HA ARG 21 HA ARG 21 0.822 4.221 9.322
330 HB2 ARG 21 HB2 ARG 21 0.854 6.886 7.896
331 HB3 ARG 21 HB3 ARG 21 -0.553 6.071 8.564
332 HG2 ARG 21 HG2 ARG 21 1.781 7.011 10.213
333 HG3 ARG 21 HG3 ARG 21 0.312 7.951 9.945
334 HD2 ARG 21 HD2 ARG 21 -0.134 5.197 10.858
335 HD3 ARG 21 HD3 ARG 21 0.701 6.233 12.016
336 HE ARG 21 HE ARG 21 -2.050 6.359 11.278
337 HH11 ARG 21 HH11 ARG 21 0.666 8.282 12.300
338 HH12 ARG 21 HH12 ARG 21 -0.313 9.521 13.012
339 HH21 ARG 21 HH21 ARG 21 -3.349 7.984 12.212
340 HH22 ARG 21 HH22 ARG 21 -2.597 9.351 12.962
341 H ASN 22 H ASN 22 2.904 4.801 6.686
342 HA ASN 22 HA ASN 22 1.048 3.388 4.884
343 HB2 ASN 22 HB2 ASN 22 1.619 5.835 4.331
344 HB3 ASN 22 HB3 ASN 22 3.224 5.237 3.924
345 HD21 ASN 22 HD21 ASN 22 -0.170 5.117 3.109
346 HD22 ASN 22 HD22 ASN 22 0.038 4.509 1.506
347 H PHE 23 H PHE 23 4.473 3.985 5.618
348 HA PHE 23 HA PHE 23 5.152 1.430 4.342
349 HB2 PHE 23 HB2 PHE 23 6.785 3.853 5.073
350 HB3 PHE 23 HB3 PHE 23 7.544 2.313 4.681
351 HD1 PHE 23 HD1 PHE 23 7.886 1.680 2.461
352 HD2 PHE 23 HD2 PHE 23 5.270 4.918 3.349
353 HE1 PHE 23 HE1 PHE 23 7.754 2.225 0.065
354 HE2 PHE 23 HE2 PHE 23 5.132 5.467 0.954
355 HZ PHE 23 HZ PHE 23 6.374 4.119 -0.691
356 H GLY 24 H GLY 24 4.037 2.133 7.168
357 HA2 GLY 24 HA2 GLY 24 6.126 0.829 8.773
358 HA3 GLY 24 HA3 GLY 24 4.754 1.722 9.410
359 H TYR 25 H TYR 25 3.064 0.227 7.333
360 HA TYR 25 HA TYR 25 2.223 -1.848 9.102
361 HB2 TYR 25 HB2 TYR 25 1.165 -0.488 6.830
362 HB3 TYR 25 HB3 TYR 25 1.088 -2.218 6.516
363 HD1 TYR 25 HD1 TYR 25 0.605 -0.165 9.605
364 HD2 TYR 25 HD2 TYR 25 -1.054 -2.988 6.888
365 HE1 TYR 25 HE1 TYR 25 -1.409 -0.323 11.008
366 HE2 TYR 25 HE2 TYR 25 -3.073 -3.152 8.283
367 HH TYR 25 HH TYR 25 -3.800 -0.956 10.733
368 H THR 26 H THR 26 4.554 -1.663 6.644
369 HA THR 26 HA THR 26 4.478 -4.523 6.062
370 HB THR 26 HB THR 26 5.782 -2.166 4.811
371 HG1 THR 26 HG1 THR 26 5.139 -3.418 2.934
372 HG21 THR 26 HG21 THR 26 7.740 -3.493 5.292
373 HG22 THR 26 HG22 THR 26 7.356 -3.644 3.577
374 HG23 THR 26 HG23 THR 26 6.947 -4.949 4.691
375 H LEU 27 H LEU 27 6.876 -2.127 7.177
376 HA LEU 27 HA LEU 27 8.756 -4.109 7.987
377 HB2 LEU 27 HB2 LEU 27 8.827 -1.401 7.546
378 HB3 LEU 27 HB3 LEU 27 8.973 -1.509 9.300
379 HG LEU 27 HG LEU 27 10.814 -2.710 7.237
380 HD11 LEU 27 HD11 LEU 27 11.218 -0.598 9.350
381 HD12 LEU 27 HD12 LEU 27 11.141 -0.335 7.608
382 HD13 LEU 27 HD13 LEU 27 12.476 -1.255 8.302
383 HD21 LEU 27 HD21 LEU 27 10.596 -4.301 9.022
384 HD22 LEU 27 HD22 LEU 27 10.783 -3.034 10.234
385 HD23 LEU 27 HD23 LEU 27 12.141 -3.468 9.195
386 H ARG 28 H ARG 28 5.837 -3.415 9.245
387 HA ARG 28 HA ARG 28 6.278 -3.154 12.006
388 HB2 ARG 28 HB2 ARG 28 4.073 -3.184 10.391
389 HB3 ARG 28 HB3 ARG 28 3.917 -4.725 11.225
390 HG2 ARG 28 HG2 ARG 28 4.456 -2.237 12.784
391 HG3 ARG 28 HG3 ARG 28 2.823 -2.597 12.221
392 HD2 ARG 28 HD2 ARG 28 3.305 -4.945 13.273
393 HD3 ARG 28 HD3 ARG 28 4.521 -4.058 14.192
394 HE ARG 28 HE ARG 28 2.129 -2.649 14.386
395 HH11 ARG 28 HH11 ARG 28 3.431 -5.734 15.339
396 HH12 ARG 28 HH12 ARG 28 2.420 -5.875 16.738
397 HH21 ARG 28 HH21 ARG 28 0.793 -2.823 16.226
398 HH22 ARG 28 HH22 ARG 28 0.919 -4.219 17.242
Start of MODEL 2
1 H1 VAL 1 H VAL 1 4.094 -4.945 -2.708
2 HA VAL 1 HA VAL 1 3.632 -2.823 -1.940
3 HB VAL 1 HB VAL 1 3.405 -2.745 0.544
4 HG11 VAL 1 HG11 VAL 1 2.320 -5.339 -0.506
5 HG12 VAL 1 HG12 VAL 1 1.572 -4.205 0.621
6 HG13 VAL 1 HG13 VAL 1 1.730 -3.781 -1.084
7 HG21 VAL 1 HG21 VAL 1 3.820 -4.868 1.779
8 HG22 VAL 1 HG22 VAL 1 4.667 -5.477 0.357
9 HG23 VAL 1 HG23 VAL 1 5.288 -4.068 1.217
10 H ALA 2 H ALA 2 6.356 -3.061 -2.735
11 HA ALA 2 HA ALA 2 7.634 -1.215 -0.824
12 HB1 ALA 2 HB1 ALA 2 9.248 -2.905 -2.685
13 HB2 ALA 2 HB2 ALA 2 9.701 -2.192 -1.137
14 HB3 ALA 2 HB3 ALA 2 8.629 -3.592 -1.182
15 H ARG 3 H ARG 3 6.440 0.414 -2.122
16 HA ARG 3 HA ARG 3 7.919 1.077 -4.584
17 HB2 ARG 3 HB2 ARG 3 5.704 2.435 -5.038
18 HB3 ARG 3 HB3 ARG 3 5.817 0.726 -5.441
19 HG2 ARG 3 HG2 ARG 3 4.667 0.140 -3.386
20 HG3 ARG 3 HG3 ARG 3 4.603 1.841 -2.921
21 HD2 ARG 3 HD2 ARG 3 2.599 1.857 -3.913
22 HD3 ARG 3 HD3 ARG 3 3.502 1.873 -5.427
23 HE ARG 3 HE ARG 3 3.225 -0.783 -4.661
24 HH11 ARG 3 HH11 ARG 3 1.187 1.880 -5.598
25 HH12 ARG 3 HH12 ARG 3 -0.042 0.868 -6.281
26 HH21 ARG 3 HH21 ARG 3 1.614 -2.125 -5.559
27 HH22 ARG 3 HH22 ARG 3 0.201 -1.410 -6.258
28 H GLY 4 H GLY 4 6.989 2.048 -1.451
29 HA2 GLY 4 HA2 GLY 4 7.110 4.870 -1.786
30 HA3 GLY 4 HA3 GLY 4 7.244 4.001 -0.264
31 H TRP 5 H TRP 5 9.532 2.457 -1.661
32 HA TRP 5 HA TRP 5 11.581 4.549 -1.330
33 HB2 TRP 5 HB2 TRP 5 11.979 1.668 -0.533
34 HB3 TRP 5 HB3 TRP 5 12.988 3.056 -0.135
35 HD1 TRP 5 HD1 TRP 5 10.806 5.021 1.011
36 HE1 TRP 5 HE1 TRP 5 9.657 4.502 3.255
37 HE3 TRP 5 HE3 TRP 5 11.660 -0.016 1.215
38 HZ2 TRP 5 HZ2 TRP 5 9.177 2.256 4.895
39 HZ3 TRP 5 HZ3 TRP 5 10.823 -1.276 3.156
40 HH2 TRP 5 HH2 TRP 5 9.608 -0.162 4.957
41 H LYS 6 H LYS 6 10.179 2.459 -3.440
42 HA LYS 6 HA LYS 6 12.661 2.143 -4.998
43 HB2 LYS 6 HB2 LYS 6 11.906 -0.038 -4.501
44 HB3 LYS 6 HB3 LYS 6 10.224 0.387 -4.795
45 HG2 LYS 6 HG2 LYS 6 11.906 0.777 -7.134
46 HG3 LYS 6 HG3 LYS 6 11.907 -0.889 -6.551
47 HD2 LYS 6 HD2 LYS 6 9.243 0.250 -6.544
48 HD3 LYS 6 HD3 LYS 6 9.977 0.315 -8.148
49 HE2 LYS 6 HE2 LYS 6 10.429 -2.227 -6.813
50 HE3 LYS 6 HE3 LYS 6 8.715 -1.863 -7.005
51 HZ1 LYS 6 HZ1 LYS 6 9.083 -2.796 -9.010
52 HZ2 LYS 6 HZ2 LYS 6 10.733 -2.423 -9.027
53 HZ3 LYS 6 HZ3 LYS 6 9.593 -1.235 -9.419
54 H ARG 7 H ARG 7 9.193 2.826 -5.165
55 HA ARG 7 HA ARG 7 9.262 3.527 -7.945
56 HB2 ARG 7 HB2 ARG 7 7.264 2.735 -6.395
57 HB3 ARG 7 HB3 ARG 7 7.078 4.465 -6.143
58 HG2 ARG 7 HG2 ARG 7 5.990 4.643 -8.058
59 HG3 ARG 7 HG3 ARG 7 7.384 3.998 -8.929
60 HD2 ARG 7 HD2 ARG 7 6.365 1.727 -7.884
61 HD3 ARG 7 HD3 ARG 7 4.890 2.674 -8.085
62 HE ARG 7 HE ARG 7 6.169 2.934 -10.471
63 HH11 ARG 7 HH11 ARG 7 5.167 0.224 -8.528
64 HH12 ARG 7 HH12 ARG 7 4.919 -0.824 -9.885
65 HH21 ARG 7 HH21 ARG 7 5.845 1.563 -12.265
66 HH22 ARG 7 HH22 ARG 7 5.306 -0.062 -12.010
67 H LYS 8 H LYS 8 8.938 5.379 -4.922
68 HA LYS 8 HA LYS 8 8.949 7.922 -6.155
69 HB2 LYS 8 HB2 LYS 8 9.254 6.886 -3.386
70 HB3 LYS 8 HB3 LYS 8 9.831 8.517 -3.699
71 HG2 LYS 8 HG2 LYS 8 7.736 9.136 -3.257
72 HG3 LYS 8 HG3 LYS 8 7.377 8.557 -4.885
73 HD2 LYS 8 HD2 LYS 8 6.953 6.290 -3.846
74 HD3 LYS 8 HD3 LYS 8 7.024 7.095 -2.276
75 HE2 LYS 8 HE2 LYS 8 5.302 8.652 -3.830
76 HE3 LYS 8 HE3 LYS 8 4.869 6.982 -4.193
77 HZ1 LYS 8 HZ1 LYS 8 4.361 6.553 -1.978
78 HZ2 LYS 8 HZ2 LYS 8 3.732 8.104 -2.228
79 HZ3 LYS 8 HZ3 LYS 8 5.198 7.909 -1.407
80 H CYS 9 H CYS 9 11.473 6.903 -3.891
81 HA CYS 9 HA CYS 9 13.479 7.906 -5.803
82 HB2 CYS 9 HB2 CYS 9 13.750 8.035 -2.800
83 HB3 CYS 9 HB3 CYS 9 14.747 8.836 -4.009
84 HG CYS 9 HG CYS 9 13.483 11.050 -3.793
85 HA PRO 10 HA PRO 10 15.003 3.737 -5.468
86 HB2 PRO 10 HB2 PRO 10 17.144 4.089 -7.098
87 HB3 PRO 10 HB3 PRO 10 15.495 3.904 -7.706
88 HG2 PRO 10 HG2 PRO 10 17.096 6.402 -7.301
89 HG3 PRO 10 HG3 PRO 10 16.053 5.950 -8.661
90 HD2 PRO 10 HD2 PRO 10 15.245 7.638 -6.704
91 HD3 PRO 10 HD3 PRO 10 14.126 6.546 -7.545
92 H LEU 11 H LEU 11 15.626 5.636 -3.363
93 HA LEU 11 HA LEU 11 18.473 5.605 -2.964
94 HB2 LEU 11 HB2 LEU 11 16.103 6.567 -1.453
95 HB3 LEU 11 HB3 LEU 11 17.590 6.270 -0.554
96 HG LEU 11 HG LEU 11 17.692 7.993 -2.988
97 HD11 LEU 11 HD11 LEU 11 17.348 9.874 -1.152
98 HD12 LEU 11 HD12 LEU 11 16.318 8.634 -0.440
99 HD13 LEU 11 HD13 LEU 11 16.001 9.208 -2.075
100 HD21 LEU 11 HD21 LEU 11 19.807 7.792 -2.183
101 HD22 LEU 11 HD22 LEU 11 19.273 7.517 -0.525
102 HD23 LEU 11 HD23 LEU 11 19.273 9.150 -1.193
103 H PHE 12 H PHE 12 15.764 4.168 -1.134
104 HA PHE 12 HA PHE 12 17.609 2.214 0.007
105 HB2 PHE 12 HB2 PHE 12 16.152 3.273 1.601
106 HB3 PHE 12 HB3 PHE 12 14.733 2.897 0.630
107 HD1 PHE 12 HD1 PHE 12 17.542 1.212 2.403
108 HD2 PHE 12 HD2 PHE 12 13.477 1.039 1.155
109 HE1 PHE 12 HE1 PHE 12 17.252 -0.887 3.652
110 HE2 PHE 12 HE2 PHE 12 13.179 -1.060 2.403
111 HZ PHE 12 HZ PHE 12 15.068 -2.026 3.653
112 H GLY 13 H GLY 13 14.863 2.429 -2.160
113 HA2 GLY 13 HA2 GLY 13 14.318 -0.353 -2.316
114 HA3 GLY 13 HA3 GLY 13 13.820 0.864 -3.481
115 H LYS 14 H LYS 14 15.465 1.573 -5.058
116 HA LYS 14 HA LYS 14 16.791 -0.720 -6.173
117 HB2 LYS 14 HB2 LYS 14 17.089 2.094 -7.188
118 HB3 LYS 14 HB3 LYS 14 17.138 0.588 -8.095
119 HG2 LYS 14 HG2 LYS 14 14.695 1.801 -6.816
120 HG3 LYS 14 HG3 LYS 14 15.091 1.819 -8.536
121 HD2 LYS 14 HD2 LYS 14 15.263 -0.847 -7.908
122 HD3 LYS 14 HD3 LYS 14 13.922 -0.300 -6.897
123 HE2 LYS 14 HE2 LYS 14 12.888 -0.918 -8.890
124 HE3 LYS 14 HE3 LYS 14 13.049 0.832 -9.035
125 HZ1 LYS 14 HZ1 LYS 14 13.705 -0.216 -11.078
126 HZ2 LYS 14 HZ2 LYS 14 14.816 -1.207 -10.276
127 HZ3 LYS 14 HZ3 LYS 14 15.073 0.463 -10.352
128 H GLY 15 H GLY 15 17.692 1.982 -4.217
129 HA2 GLY 15 HA2 GLY 15 20.518 1.776 -4.825
130 HA3 GLY 15 HA3 GLY 15 19.779 2.838 -3.636
131 H GLY 16 H GLY 16 18.472 1.151 -1.972
132 HA2 GLY 16 HA2 GLY 16 20.675 -0.056 -0.547
133 HA3 GLY 16 HA3 GLY 16 19.012 0.065 0.007
134 H1 LYS 1 H LYS 1 17.531 1.710 4.527
135 HA LYS 1 HA LYS 1 18.481 4.460 4.836
136 HB2 LYS 1 HB2 LYS 1 19.028 2.445 2.977
137 HB3 LYS 1 HB3 LYS 1 18.039 3.606 2.100
138 HG2 LYS 1 HG2 LYS 1 19.819 4.882 1.814
139 HG3 LYS 1 HG3 LYS 1 19.950 5.082 3.563
140 HD2 LYS 1 HD2 LYS 1 21.447 3.286 3.766
141 HD3 LYS 1 HD3 LYS 1 21.049 2.661 2.164
142 HE2 LYS 1 HE2 LYS 1 21.949 5.111 1.506
143 HE3 LYS 1 HE3 LYS 1 22.900 4.819 2.962
144 HZ1 LYS 1 HZ1 LYS 1 23.263 2.516 1.755
145 HZ2 LYS 1 HZ2 LYS 1 24.248 3.853 1.441
146 HZ3 LYS 1 HZ3 LYS 1 22.991 3.462 0.379
147 H TYR 2 H TYR 2 15.609 2.722 4.334
148 HA TYR 2 HA TYR 2 14.093 4.281 2.652
149 HB2 TYR 2 HB2 TYR 2 12.147 3.603 4.210
150 HB3 TYR 2 HB3 TYR 2 13.064 2.324 3.421
151 HD1 TYR 2 HD1 TYR 2 14.173 0.677 4.687
152 HD2 TYR 2 HD2 TYR 2 12.671 4.155 6.622
153 HE1 TYR 2 HE1 TYR 2 14.635 -0.349 6.874
154 HE2 TYR 2 HE2 TYR 2 13.129 3.140 8.816
155 HH TYR 2 HH TYR 2 14.399 1.449 9.832
156 H GLU 3 H GLU 3 15.069 4.934 5.947
157 HA GLU 3 HA GLU 3 13.346 6.880 6.770
158 HB2 GLU 3 HB2 GLU 3 15.511 7.970 7.771
159 HB3 GLU 3 HB3 GLU 3 14.964 6.399 8.339
160 HG2 GLU 3 HG2 GLU 3 16.819 5.395 7.647
161 HG3 GLU 3 HG3 GLU 3 16.742 6.171 6.065
162 H ILE 4 H ILE 4 16.287 7.460 4.838
163 HA ILE 4 HA ILE 4 15.846 10.202 4.433
164 HB ILE 4 HB ILE 4 17.312 8.331 2.573
165 HG12 ILE 4 HG12 ILE 4 19.181 9.655 4.139
166 HG13 ILE 4 HG13 ILE 4 17.913 9.232 5.283
167 HG21 ILE 4 HG21 ILE 4 17.057 10.386 1.478
168 HG22 ILE 4 HG22 ILE 4 17.317 11.307 2.959
169 HG23 ILE 4 HG23 ILE 4 18.665 10.464 2.196
170 HD11 ILE 4 HD11 ILE 4 19.028 7.193 3.401
171 HD12 ILE 4 HD12 ILE 4 19.839 7.584 4.917
172 HD13 ILE 4 HD13 ILE 4 18.192 6.956 4.935
173 H THR 5 H THR 5 14.254 7.502 3.139
174 HA THR 5 HA THR 5 13.340 8.937 0.761
175 HB THR 5 HB THR 5 12.206 6.271 1.322
176 HG1 THR 5 HG1 THR 5 14.988 6.651 0.816
177 HG21 THR 5 HG21 THR 5 13.049 7.922 -0.957
178 HG22 THR 5 HG22 THR 5 11.734 6.753 -0.827
179 HG23 THR 5 HG23 THR 5 13.379 6.199 -1.137
180 H THR 6 H THR 6 12.318 8.079 3.935
181 HA THR 6 HA THR 6 9.565 8.923 3.309
182 HB THR 6 HB THR 6 9.333 6.787 4.205
183 HG1 THR 6 HG1 THR 6 8.060 8.270 5.395
184 HG21 THR 6 HG21 THR 6 11.268 5.943 5.005
185 HG22 THR 6 HG22 THR 6 10.631 6.465 6.565
186 HG23 THR 6 HG23 THR 6 11.776 7.484 5.692
187 H ILE 7 H ILE 7 12.347 10.133 4.468
188 HA ILE 7 HA ILE 7 11.009 11.813 6.486
189 HB ILE 7 HB ILE 7 13.926 11.103 6.190
190 HG12 ILE 7 HG12 ILE 7 12.433 9.433 7.289
191 HG13 ILE 7 HG13 ILE 7 13.673 10.074 8.364
192 HG21 ILE 7 HG21 ILE 7 14.133 12.478 8.332
193 HG22 ILE 7 HG22 ILE 7 13.976 13.359 6.814
194 HG23 ILE 7 HG23 ILE 7 12.582 13.186 7.882
195 HD11 ILE 7 HD11 ILE 7 10.981 9.904 8.893
196 HD12 ILE 7 HD12 ILE 7 12.160 10.874 9.776
197 HD13 ILE 7 HD13 ILE 7 11.213 11.603 8.480
198 H HIS 8 H HIS 8 12.780 11.772 3.507
199 HA HIS 8 HA HIS 8 12.860 14.711 3.474
200 HB2 HIS 8 HB2 HIS 8 14.739 12.730 2.662
201 HB3 HIS 8 HB3 HIS 8 14.212 13.595 1.221
202 HD1 HIS 8 HD1 HIS 8 16.096 14.048 4.412
203 HD2 HIS 8 HD2 HIS 8 14.986 16.288 1.093
204 HE1 HIS 8 HE1 HIS 8 17.455 16.161 4.541
205 H ASN 9 H ASN 9 11.061 12.131 2.378
206 HA ASN 9 HA ASN 9 10.031 13.701 0.106
207 HB2 ASN 9 HB2 ASN 9 9.809 10.703 0.344
208 HB3 ASN 9 HB3 ASN 9 9.548 11.703 -1.083
209 HD21 ASN 9 HD21 ASN 9 11.793 13.334 -0.916
210 HD22 ASN 9 HD22 ASN 9 13.199 12.372 -1.206
211 H LEU 10 H LEU 10 9.323 13.413 3.086
212 HA LEU 10 HA LEU 10 6.470 12.783 2.694
213 HB2 LEU 10 HB2 LEU 10 6.368 11.762 4.705
214 HB3 LEU 10 HB3 LEU 10 8.078 11.489 4.377
215 HG LEU 10 HG LEU 10 6.998 13.733 6.078
216 HD11 LEU 10 HD11 LEU 10 7.033 12.408 7.871
217 HD12 LEU 10 HD12 LEU 10 8.549 11.649 7.389
218 HD13 LEU 10 HD13 LEU 10 7.021 11.063 6.729
219 HD21 LEU 10 HD21 LEU 10 9.631 13.234 6.736
220 HD22 LEU 10 HD22 LEU 10 9.037 14.573 5.753
221 HD23 LEU 10 HD23 LEU 10 9.610 13.094 4.978
222 H PHE 11 H PHE 11 8.766 15.165 3.543
223 HA PHE 11 HA PHE 11 6.997 16.841 5.059
224 HB2 PHE 11 HB2 PHE 11 9.767 16.765 4.510
225 HB3 PHE 11 HB3 PHE 11 9.180 18.306 3.892
226 HD1 PHE 11 HD1 PHE 11 8.093 16.335 6.854
227 HD2 PHE 11 HD2 PHE 11 9.891 19.907 5.397
228 HE1 PHE 11 HE1 PHE 11 8.112 17.252 9.137
229 HE2 PHE 11 HE2 PHE 11 9.914 20.829 7.678
230 HZ PHE 11 HZ PHE 11 9.025 19.501 9.552
231 H ARG 12 H ARG 12 7.242 16.098 1.812
232 HA ARG 12 HA ARG 12 6.148 18.698 0.976
233 HB2 ARG 12 HB2 ARG 12 7.471 16.483 -0.589
234 HB3 ARG 12 HB3 ARG 12 6.630 17.824 -1.355
235 HG2 ARG 12 HG2 ARG 12 8.249 19.332 -0.818
236 HG3 ARG 12 HG3 ARG 12 8.728 18.464 0.641
237 HD2 ARG 12 HD2 ARG 12 10.085 17.004 -0.510
238 HD3 ARG 12 HD3 ARG 12 9.194 17.200 -2.018
239 HE ARG 12 HE ARG 12 11.457 18.689 -1.185
240 HH11 ARG 12 HH11 ARG 12 8.429 18.993 -2.876
241 HH12 ARG 12 HH12 ARG 12 8.958 20.323 -3.852
242 HH21 ARG 12 HH21 ARG 12 12.165 20.439 -2.464
243 HH22 ARG 12 HH22 ARG 12 11.084 21.144 -3.617
244 H LYS 13 H LYS 13 5.565 15.231 0.983
245 HA LYS 13 HA LYS 13 2.803 15.760 0.100
246 HB2 LYS 13 HB2 LYS 13 4.252 13.148 -0.305
247 HB3 LYS 13 HB3 LYS 13 2.742 13.674 -1.038
248 HG2 LYS 13 HG2 LYS 13 4.158 15.534 -2.111
249 HG3 LYS 13 HG3 LYS 13 5.539 14.524 -1.674
250 HD2 LYS 13 HD2 LYS 13 4.103 12.644 -2.830
251 HD3 LYS 13 HD3 LYS 13 3.355 14.021 -3.642
252 HE2 LYS 13 HE2 LYS 13 6.058 14.558 -3.809
253 HE3 LYS 13 HE3 LYS 13 5.974 12.813 -4.035
254 HZ1 LYS 13 HZ1 LYS 13 5.795 14.145 -6.112
255 HZ2 LYS 13 HZ2 LYS 13 4.313 14.742 -5.557
256 HZ3 LYS 13 HZ3 LYS 13 4.499 13.088 -5.856
257 H LEU 14 H LEU 14 3.808 15.808 2.808
258 HA LEU 14 HA LEU 14 3.498 13.541 4.310
259 HB2 LEU 14 HB2 LEU 14 3.702 16.246 4.817
260 HB3 LEU 14 HB3 LEU 14 2.142 15.818 5.516
261 HG LEU 14 HG LEU 14 4.425 14.072 6.219
262 HD11 LEU 14 HD11 LEU 14 4.728 15.937 8.129
263 HD12 LEU 14 HD12 LEU 14 4.382 16.972 6.744
264 HD13 LEU 14 HD13 LEU 14 5.736 15.845 6.685
265 HD21 LEU 14 HD21 LEU 14 3.267 13.803 8.214
266 HD22 LEU 14 HD22 LEU 14 1.976 13.982 7.026
267 HD23 LEU 14 HD23 LEU 14 2.427 15.345 8.052
268 H THR 15 H THR 15 1.029 15.409 2.714
269 HA THR 15 HA THR 15 -1.267 14.662 4.034
270 HB THR 15 HB THR 15 -1.113 16.216 2.052
271 HG1 THR 15 HG1 THR 15 -3.144 14.281 1.657
272 HG21 THR 15 HG21 THR 15 0.045 14.257 0.705
273 HG22 THR 15 HG22 THR 15 -0.955 15.460 -0.108
274 HG23 THR 15 HG23 THR 15 -1.623 13.875 0.282
275 H HIS 16 H HIS 16 0.691 12.778 1.813
276 HA HIS 16 HA HIS 16 -1.174 10.653 1.482
277 HB2 HIS 16 HB2 HIS 16 1.830 10.638 1.120
278 HB3 HIS 16 HB3 HIS 16 0.711 9.419 0.514
279 HD1 HIS 16 HD1 HIS 16 2.558 10.986 -1.396
280 HD2 HIS 16 HD2 HIS 16 -1.357 12.060 -0.514
281 HE1 HIS 16 HE1 HIS 16 1.793 12.389 -3.337
282 H ARG 17 H ARG 17 -1.733 9.158 2.910
283 HA ARG 17 HA ARG 17 -0.071 8.763 5.284
284 HB2 ARG 17 HB2 ARG 17 -2.044 7.620 6.218
285 HB3 ARG 17 HB3 ARG 17 -2.417 9.255 5.686
286 HG2 ARG 17 HG2 ARG 17 -2.901 7.496 3.513
287 HG3 ARG 17 HG3 ARG 17 -3.670 6.824 4.952
288 HD2 ARG 17 HD2 ARG 17 -4.047 9.590 3.816
289 HD3 ARG 17 HD3 ARG 17 -5.224 8.277 3.822
290 HE ARG 17 HE ARG 17 -4.585 10.048 5.998
291 HH11 ARG 17 HH11 ARG 17 -5.890 6.945 5.109
292 HH12 ARG 17 HH12 ARG 17 -6.826 6.778 6.558
293 HH21 ARG 17 HH21 ARG 17 -5.812 9.839 7.909
294 HH22 ARG 17 HH22 ARG 17 -6.781 8.426 8.150
295 H LEU 18 H LEU 18 0.739 7.663 2.732
296 HA LEU 18 HA LEU 18 0.562 4.787 3.354
297 HB2 LEU 18 HB2 LEU 18 1.080 5.972 0.637
298 HB3 LEU 18 HB3 LEU 18 0.753 4.285 1.031
299 HG LEU 18 HG LEU 18 -1.328 6.345 1.612
300 HD11 LEU 18 HD11 LEU 18 -2.091 5.473 -0.825
301 HD12 LEU 18 HD12 LEU 18 -0.346 5.576 -1.051
302 HD13 LEU 18 HD13 LEU 18 -1.253 6.998 -0.539
303 HD21 LEU 18 HD21 LEU 18 -1.111 3.541 1.756
304 HD22 LEU 18 HD22 LEU 18 -2.232 3.899 0.442
305 HD23 LEU 18 HD23 LEU 18 -2.534 4.539 2.058
306 H PHE 19 H PHE 19 2.498 6.991 4.144
307 HA PHE 19 HA PHE 19 4.946 5.658 3.188
308 HB2 PHE 19 HB2 PHE 19 4.272 8.318 2.828
309 HB3 PHE 19 HB3 PHE 19 5.335 8.358 4.230
310 HD1 PHE 19 HD1 PHE 19 7.183 6.143 3.582
311 HD2 PHE 19 HD2 PHE 19 5.570 9.223 1.126
312 HE1 PHE 19 HE1 PHE 19 9.142 5.986 2.103
313 HE2 PHE 19 HE2 PHE 19 7.526 9.068 -0.357
314 HZ PHE 19 HZ PHE 19 9.315 7.448 0.129
315 H ARG 20 H ARG 20 3.388 7.317 5.893
316 HA ARG 20 HA ARG 20 5.379 6.145 7.712
317 HB2 ARG 20 HB2 ARG 20 3.493 8.479 8.036
318 HB3 ARG 20 HB3 ARG 20 4.402 7.790 9.374
319 HG2 ARG 20 HG2 ARG 20 5.631 8.935 6.875
320 HG3 ARG 20 HG3 ARG 20 5.457 9.795 8.407
321 HD2 ARG 20 HD2 ARG 20 6.671 7.503 9.215
322 HD3 ARG 20 HD3 ARG 20 7.368 7.715 7.610
323 HE ARG 20 HE ARG 20 8.598 9.445 8.438
324 HH11 ARG 20 HH11 ARG 20 5.877 8.911 10.542
325 HH12 ARG 20 HH12 ARG 20 6.391 10.074 11.719
326 HH21 ARG 20 HH21 ARG 20 9.286 10.979 9.980
327 HH22 ARG 20 HH22 ARG 20 8.330 11.251 11.397
328 H ARG 21 H ARG 21 1.966 6.306 6.964
329 HA ARG 21 HA ARG 21 1.262 4.697 9.287
330 HB2 ARG 21 HB2 ARG 21 -0.300 6.112 7.151
331 HB3 ARG 21 HB3 ARG 21 -1.069 4.873 8.134
332 HG2 ARG 21 HG2 ARG 21 -0.645 6.114 10.140
333 HG3 ARG 21 HG3 ARG 21 0.320 7.296 9.254
334 HD2 ARG 21 HD2 ARG 21 -1.542 8.214 8.206
335 HD3 ARG 21 HD3 ARG 21 -2.533 6.788 8.505
336 HE ARG 21 HE ARG 21 -3.102 7.658 10.540
337 HH11 ARG 21 HH11 ARG 21 -0.292 9.325 9.341
338 HH12 ARG 21 HH12 ARG 21 -0.298 10.514 10.601
339 HH21 ARG 21 HH21 ARG 21 -3.121 9.218 12.205
340 HH22 ARG 21 HH22 ARG 21 -1.907 10.452 12.231
341 H ASN 22 H ASN 22 2.309 4.194 6.141
342 HA ASN 22 HA ASN 22 1.159 1.480 6.120
343 HB2 ASN 22 HB2 ASN 22 0.352 3.037 4.289
344 HB3 ASN 22 HB3 ASN 22 2.000 3.028 3.667
345 HD21 ASN 22 HD21 ASN 22 -0.833 1.852 2.981
346 HD22 ASN 22 HD22 ASN 22 -0.433 0.275 2.396
347 H PHE 23 H PHE 23 3.953 3.474 5.252
348 HA PHE 23 HA PHE 23 5.606 1.049 5.133
349 HB2 PHE 23 HB2 PHE 23 5.952 3.819 4.009
350 HB3 PHE 23 HB3 PHE 23 7.321 2.722 4.167
351 HD1 PHE 23 HD1 PHE 23 3.825 2.689 2.858
352 HD2 PHE 23 HD2 PHE 23 7.866 1.455 2.339
353 HE1 PHE 23 HE1 PHE 23 3.228 1.644 0.711
354 HE2 PHE 23 HE2 PHE 23 7.275 0.409 0.192
355 HZ PHE 23 HZ PHE 23 4.954 0.503 -0.625
356 H GLY 24 H GLY 24 4.618 2.909 7.469
357 HA2 GLY 24 HA2 GLY 24 7.277 3.301 8.690
358 HA3 GLY 24 HA3 GLY 24 5.837 4.209 9.127
359 H TYR 25 H TYR 25 4.110 1.863 9.154
360 HA TYR 25 HA TYR 25 4.579 1.066 11.857
361 HB2 TYR 25 HB2 TYR 25 2.384 1.097 10.085
362 HB3 TYR 25 HB3 TYR 25 2.619 -0.586 10.546
363 HD1 TYR 25 HD1 TYR 25 2.449 -1.258 12.914
364 HD2 TYR 25 HD2 TYR 25 1.602 2.721 11.665
365 HE1 TYR 25 HE1 TYR 25 1.305 -0.837 15.051
366 HE2 TYR 25 HE2 TYR 25 0.457 3.153 13.799
367 HH TYR 25 HH TYR 25 0.813 1.700 16.405
368 H THR 26 H THR 26 5.716 -0.052 8.901
369 HA THR 26 HA THR 26 5.987 -2.827 9.740
370 HB THR 26 HB THR 26 6.356 -1.357 7.189
371 HG1 THR 26 HG1 THR 26 5.394 -3.392 6.468
372 HG21 THR 26 HG21 THR 26 8.573 -2.289 7.437
373 HG22 THR 26 HG22 THR 26 7.683 -3.229 6.240
374 HG23 THR 26 HG23 THR 26 7.901 -3.859 7.873
375 H LEU 27 H LEU 27 8.151 -0.185 8.710
376 HA LEU 27 HA LEU 27 10.527 -1.538 9.473
377 HB2 LEU 27 HB2 LEU 27 11.665 0.451 8.945
378 HB3 LEU 27 HB3 LEU 27 10.322 0.341 7.810
379 HG LEU 27 HG LEU 27 9.160 1.889 9.634
380 HD11 LEU 27 HD11 LEU 27 10.646 2.361 11.256
381 HD12 LEU 27 HD12 LEU 27 11.227 3.555 10.096
382 HD13 LEU 27 HD13 LEU 27 12.039 1.996 10.237
383 HD21 LEU 27 HD21 LEU 27 10.265 2.215 7.103
384 HD22 LEU 27 HD22 LEU 27 10.924 3.546 8.055
385 HD23 LEU 27 HD23 LEU 27 9.178 3.325 7.937
386 H ARG 28 H ARG 28 8.107 -0.361 11.351
387 HA ARG 28 HA ARG 28 9.893 0.466 13.532
388 HB2 ARG 28 HB2 ARG 28 8.170 2.082 13.075
389 HB3 ARG 28 HB3 ARG 28 6.925 0.842 13.126
390 HG2 ARG 28 HG2 ARG 28 6.921 0.737 15.409
391 HG3 ARG 28 HG3 ARG 28 8.600 1.265 15.544
392 HD2 ARG 28 HD2 ARG 28 7.006 3.323 14.330
393 HD3 ARG 28 HD3 ARG 28 6.278 2.813 15.852
394 HE ARG 28 HE ARG 28 8.986 3.163 16.332
395 HH11 ARG 28 HH11 ARG 28 6.265 5.100 15.350
396 HH12 ARG 28 HH12 ARG 28 6.883 6.557 16.054
397 HH21 ARG 28 HH21 ARG 28 9.809 5.076 17.263
398 HH22 ARG 28 HH22 ARG 28 8.899 6.543 17.141
Start of MODEL 3
1 H1 VAL 1 H VAL 1 2.607 -1.325 -3.685
2 HA VAL 1 HA VAL 1 1.583 -0.441 -1.596
3 HB VAL 1 HB VAL 1 2.509 -3.062 -0.424
4 HG11 VAL 1 HG11 VAL 1 2.455 -1.423 1.255
5 HG12 VAL 1 HG12 VAL 1 0.972 -0.703 0.624
6 HG13 VAL 1 HG13 VAL 1 0.922 -2.280 1.413
7 HG21 VAL 1 HG21 VAL 1 0.747 -3.876 -1.614
8 HG22 VAL 1 HG22 VAL 1 -0.133 -3.268 -0.211
9 HG23 VAL 1 HG23 VAL 1 -0.068 -2.314 -1.692
10 H ALA 2 H ALA 2 4.429 -1.637 -2.846
11 HA ALA 2 HA ALA 2 6.026 -0.181 -0.839
12 HB1 ALA 2 HB1 ALA 2 6.319 -2.746 -1.090
13 HB2 ALA 2 HB2 ALA 2 7.210 -2.325 -2.554
14 HB3 ALA 2 HB3 ALA 2 7.749 -1.717 -0.989
15 H ARG 3 H ARG 3 5.436 1.678 -2.260
16 HA ARG 3 HA ARG 3 7.237 1.820 -4.589
17 HB2 ARG 3 HB2 ARG 3 5.038 3.775 -4.451
18 HB3 ARG 3 HB3 ARG 3 5.651 2.862 -5.823
19 HG2 ARG 3 HG2 ARG 3 4.433 0.886 -5.052
20 HG3 ARG 3 HG3 ARG 3 3.807 1.813 -3.686
21 HD2 ARG 3 HD2 ARG 3 2.061 2.085 -5.115
22 HD3 ARG 3 HD3 ARG 3 3.053 3.443 -5.644
23 HE ARG 3 HE ARG 3 3.324 2.398 -7.654
24 HH11 ARG 3 HH11 ARG 3 2.291 0.050 -5.301
25 HH12 ARG 3 HH12 ARG 3 2.107 -1.224 -6.461
26 HH21 ARG 3 HH21 ARG 3 3.086 0.729 -9.190
27 HH22 ARG 3 HH22 ARG 3 2.560 -0.837 -8.673
28 H GLY 4 H GLY 4 6.495 3.047 -1.516
29 HA2 GLY 4 HA2 GLY 4 7.530 5.700 -1.892
30 HA3 GLY 4 HA3 GLY 4 7.160 4.933 -0.355
31 H TRP 5 H TRP 5 8.974 2.654 -1.533
32 HA TRP 5 HA TRP 5 11.503 3.912 -0.693
33 HB2 TRP 5 HB2 TRP 5 10.402 1.159 -0.160
34 HB3 TRP 5 HB3 TRP 5 12.123 1.508 -0.019
35 HD1 TRP 5 HD1 TRP 5 10.646 4.566 1.118
36 HE1 TRP 5 HE1 TRP 5 10.370 4.625 3.677
37 HE3 TRP 5 HE3 TRP 5 11.243 -0.414 2.114
38 HZ2 TRP 5 HZ2 TRP 5 10.401 2.801 5.832
39 HZ3 TRP 5 HZ3 TRP 5 11.105 -1.173 4.450
40 HH2 TRP 5 HH2 TRP 5 10.694 0.402 6.269
41 H LYS 6 H LYS 6 9.853 2.365 -3.198
42 HA LYS 6 HA LYS 6 12.379 1.674 -4.548
43 HB2 LYS 6 HB2 LYS 6 11.089 -0.299 -4.403
44 HB3 LYS 6 HB3 LYS 6 9.600 0.547 -4.806
45 HG2 LYS 6 HG2 LYS 6 11.599 0.753 -6.905
46 HG3 LYS 6 HG3 LYS 6 11.164 -0.918 -6.533
47 HD2 LYS 6 HD2 LYS 6 8.839 0.817 -6.650
48 HD3 LYS 6 HD3 LYS 6 9.757 0.834 -8.158
49 HE2 LYS 6 HE2 LYS 6 9.333 -1.820 -6.953
50 HE3 LYS 6 HE3 LYS 6 7.880 -1.011 -7.540
51 HZ1 LYS 6 HZ1 LYS 6 9.808 -2.370 -9.027
52 HZ2 LYS 6 HZ2 LYS 6 9.910 -0.738 -9.459
53 HZ3 LYS 6 HZ3 LYS 6 8.438 -1.558 -9.596
54 H ARG 7 H ARG 7 9.169 3.103 -5.041
55 HA ARG 7 HA ARG 7 9.889 4.138 -7.638
56 HB2 ARG 7 HB2 ARG 7 7.525 3.427 -6.634
57 HB3 ARG 7 HB3 ARG 7 7.487 5.126 -6.182
58 HG2 ARG 7 HG2 ARG 7 6.926 5.709 -8.241
59 HG3 ARG 7 HG3 ARG 7 8.332 4.874 -8.906
60 HD2 ARG 7 HD2 ARG 7 6.764 2.763 -8.381
61 HD3 ARG 7 HD3 ARG 7 5.522 3.983 -8.663
62 HE ARG 7 HE ARG 7 7.498 4.011 -10.709
63 HH11 ARG 7 HH11 ARG 7 4.693 2.291 -9.572
64 HH12 ARG 7 HH12 ARG 7 4.262 1.695 -11.139
65 HH21 ARG 7 HH21 ARG 7 6.939 3.231 -12.779
66 HH22 ARG 7 HH22 ARG 7 5.540 2.230 -12.963
67 H LYS 8 H LYS 8 9.107 5.549 -4.464
68 HA LYS 8 HA LYS 8 9.576 8.221 -5.137
69 HB2 LYS 8 HB2 LYS 8 9.428 6.658 -2.621
70 HB3 LYS 8 HB3 LYS 8 10.237 8.217 -2.527
71 HG2 LYS 8 HG2 LYS 8 7.875 8.389 -1.950
72 HG3 LYS 8 HG3 LYS 8 8.255 9.320 -3.401
73 HD2 LYS 8 HD2 LYS 8 7.096 7.901 -4.781
74 HD3 LYS 8 HD3 LYS 8 7.322 6.510 -3.719
75 HE2 LYS 8 HE2 LYS 8 5.489 6.988 -2.485
76 HE3 LYS 8 HE3 LYS 8 5.725 8.731 -2.615
77 HZ1 LYS 8 HZ1 LYS 8 3.919 7.163 -4.015
78 HZ2 LYS 8 HZ2 LYS 8 5.077 7.658 -5.144
79 HZ3 LYS 8 HZ3 LYS 8 4.237 8.810 -4.234
80 H CYS 9 H CYS 9 11.730 6.420 -2.960
81 HA CYS 9 HA CYS 9 14.017 7.638 -4.364
82 HB2 CYS 9 HB2 CYS 9 13.239 7.851 -1.622
83 HB3 CYS 9 HB3 CYS 9 14.755 6.963 -1.702
84 HG CYS 9 HG CYS 9 15.227 9.403 -3.708
85 HA PRO 10 HA PRO 10 15.056 3.356 -5.050
86 HB2 PRO 10 HB2 PRO 10 17.324 3.853 -6.455
87 HB3 PRO 10 HB3 PRO 10 15.708 4.009 -7.153
88 HG2 PRO 10 HG2 PRO 10 17.518 6.135 -6.074
89 HG3 PRO 10 HG3 PRO 10 16.526 6.149 -7.545
90 HD2 PRO 10 HD2 PRO 10 15.763 7.387 -5.260
91 HD3 PRO 10 HD3 PRO 10 14.599 6.667 -6.391
92 H LEU 11 H LEU 11 15.741 4.639 -2.521
93 HA LEU 11 HA LEU 11 18.538 3.979 -2.082
94 HB2 LEU 11 HB2 LEU 11 16.389 5.296 -0.489
95 HB3 LEU 11 HB3 LEU 11 17.780 4.612 0.348
96 HG LEU 11 HG LEU 11 18.314 6.467 -1.907
97 HD11 LEU 11 HD11 LEU 11 17.390 8.283 -1.025
98 HD12 LEU 11 HD12 LEU 11 18.032 7.911 0.575
99 HD13 LEU 11 HD13 LEU 11 16.496 7.215 0.057
100 HD21 LEU 11 HD21 LEU 11 20.139 5.390 -0.707
101 HD22 LEU 11 HD22 LEU 11 19.546 6.055 0.816
102 HD23 LEU 11 HD23 LEU 11 20.154 7.133 -0.440
103 H PHE 12 H PHE 12 15.344 2.749 -1.306
104 HA PHE 12 HA PHE 12 16.579 0.474 0.092
105 HB2 PHE 12 HB2 PHE 12 14.273 2.067 0.662
106 HB3 PHE 12 HB3 PHE 12 13.751 0.413 0.359
107 HD1 PHE 12 HD1 PHE 12 13.392 -0.723 2.313
108 HD2 PHE 12 HD2 PHE 12 16.703 1.940 2.061
109 HE1 PHE 12 HE1 PHE 12 14.068 -1.353 4.593
110 HE2 PHE 12 HE2 PHE 12 17.385 1.313 4.340
111 HZ PHE 12 HZ PHE 12 16.068 -0.336 5.609
112 H GLY 13 H GLY 13 14.673 1.419 -2.648
113 HA2 GLY 13 HA2 GLY 13 13.633 -1.150 -3.294
114 HA3 GLY 13 HA3 GLY 13 13.746 0.225 -4.382
115 H LYS 14 H LYS 14 15.501 0.426 -5.750
116 HA LYS 14 HA LYS 14 16.704 -1.934 -6.646
117 HB2 LYS 14 HB2 LYS 14 17.936 -0.581 -8.161
118 HB3 LYS 14 HB3 LYS 14 16.380 0.213 -7.944
119 HG2 LYS 14 HG2 LYS 14 17.410 1.772 -6.356
120 HG3 LYS 14 HG3 LYS 14 18.970 0.988 -6.615
121 HD2 LYS 14 HD2 LYS 14 17.333 2.279 -8.795
122 HD3 LYS 14 HD3 LYS 14 18.652 3.079 -7.934
123 HE2 LYS 14 HE2 LYS 14 20.115 2.165 -9.328
124 HE3 LYS 14 HE3 LYS 14 19.596 0.557 -8.824
125 HZ1 LYS 14 HZ1 LYS 14 18.836 2.102 -11.186
126 HZ2 LYS 14 HZ2 LYS 14 17.654 1.107 -10.497
127 HZ3 LYS 14 HZ3 LYS 14 19.116 0.441 -11.025
128 H GLY 15 H GLY 15 17.622 0.270 -4.144
129 HA2 GLY 15 HA2 GLY 15 20.276 -0.996 -3.954
130 HA3 GLY 15 HA3 GLY 15 19.841 0.551 -3.244
131 H GLY 16 H GLY 16 17.852 -2.341 -3.064
132 HA2 GLY 16 HA2 GLY 16 17.976 -2.181 -0.153
133 HA3 GLY 16 HA3 GLY 16 16.841 -3.136 -1.096
134 H1 LYS 1 H LYS 1 18.471 2.418 5.752
135 HA LYS 1 HA LYS 1 17.587 5.064 6.704
136 HB2 LYS 1 HB2 LYS 1 19.079 4.207 4.261
137 HB3 LYS 1 HB3 LYS 1 18.021 5.607 4.155
138 HG2 LYS 1 HG2 LYS 1 19.305 6.858 5.604
139 HG3 LYS 1 HG3 LYS 1 20.036 5.435 6.351
140 HD2 LYS 1 HD2 LYS 1 21.131 5.015 4.087
141 HD3 LYS 1 HD3 LYS 1 20.634 6.656 3.668
142 HE2 LYS 1 HE2 LYS 1 22.856 6.818 4.461
143 HE3 LYS 1 HE3 LYS 1 21.824 7.417 5.759
144 HZ1 LYS 1 HZ1 LYS 1 22.618 5.874 7.112
145 HZ2 LYS 1 HZ2 LYS 1 23.717 5.408 5.914
146 HZ3 LYS 1 HZ3 LYS 1 22.219 4.631 6.035
147 H TYR 2 H TYR 2 15.426 4.700 6.975
148 HA TYR 2 HA TYR 2 13.933 3.856 4.578
149 HB2 TYR 2 HB2 TYR 2 12.170 3.409 6.601
150 HB3 TYR 2 HB3 TYR 2 13.234 2.180 5.924
151 HD1 TYR 2 HD1 TYR 2 15.272 1.505 7.125
152 HD2 TYR 2 HD2 TYR 2 12.531 4.291 8.807
153 HE1 TYR 2 HE1 TYR 2 16.299 1.173 9.335
154 HE2 TYR 2 HE2 TYR 2 13.551 3.968 11.021
155 HH TYR 2 HH TYR 2 14.871 2.333 12.218
156 H GLU 3 H GLU 3 13.636 5.751 7.582
157 HA GLU 3 HA GLU 3 11.368 7.202 6.921
158 HB2 GLU 3 HB2 GLU 3 12.268 8.937 8.503
159 HB3 GLU 3 HB3 GLU 3 12.202 7.305 9.153
160 HG2 GLU 3 HG2 GLU 3 14.613 7.057 8.626
161 HG3 GLU 3 HG3 GLU 3 14.637 8.752 8.142
162 H ILE 4 H ILE 4 14.770 7.970 6.267
163 HA ILE 4 HA ILE 4 14.244 10.448 4.986
164 HB ILE 4 HB ILE 4 16.531 10.433 4.285
165 HG12 ILE 4 HG12 ILE 4 17.644 8.032 5.134
166 HG13 ILE 4 HG13 ILE 4 16.151 7.544 4.339
167 HG21 ILE 4 HG21 ILE 4 16.225 9.143 6.992
168 HG22 ILE 4 HG22 ILE 4 17.687 9.944 6.418
169 HG23 ILE 4 HG23 ILE 4 16.200 10.869 6.632
170 HD11 ILE 4 HD11 ILE 4 17.986 7.523 2.775
171 HD12 ILE 4 HD12 ILE 4 16.838 8.789 2.339
172 HD13 ILE 4 HD13 ILE 4 18.352 9.208 3.141
173 H THR 5 H THR 5 13.562 7.338 4.034
174 HA THR 5 HA THR 5 13.884 7.913 1.174
175 HB THR 5 HB THR 5 13.194 5.314 2.559
176 HG1 THR 5 HG1 THR 5 15.570 6.497 1.685
177 HG21 THR 5 HG21 THR 5 12.198 5.495 0.310
178 HG22 THR 5 HG22 THR 5 13.471 4.275 0.376
179 HG23 THR 5 HG23 THR 5 13.792 5.849 -0.352
180 H THR 6 H THR 6 11.512 7.559 3.665
181 HA THR 6 HA THR 6 9.352 7.638 1.666
182 HB THR 6 HB THR 6 8.133 7.248 4.123
183 HG1 THR 6 HG1 THR 6 9.960 6.699 5.225
184 HG21 THR 6 HG21 THR 6 8.839 5.540 1.792
185 HG22 THR 6 HG22 THR 6 7.256 5.999 2.417
186 HG23 THR 6 HG23 THR 6 8.197 4.751 3.232
187 H ILE 7 H ILE 7 11.107 9.617 3.651
188 HA ILE 7 HA ILE 7 8.851 11.440 4.139
189 HB ILE 7 HB ILE 7 11.595 11.349 5.391
190 HG12 ILE 7 HG12 ILE 7 8.843 10.991 6.596
191 HG13 ILE 7 HG13 ILE 7 9.942 9.677 6.194
192 HG21 ILE 7 HG21 ILE 7 10.052 13.148 6.820
193 HG22 ILE 7 HG22 ILE 7 11.378 13.538 5.725
194 HG23 ILE 7 HG23 ILE 7 9.717 13.537 5.133
195 HD11 ILE 7 HD11 ILE 7 9.959 11.533 8.468
196 HD12 ILE 7 HD12 ILE 7 10.513 9.862 8.353
197 HD13 ILE 7 HD13 ILE 7 11.535 11.173 7.764
198 H HIS 8 H HIS 8 12.044 11.191 2.682
199 HA HIS 8 HA HIS 8 12.347 13.897 1.961
200 HB2 HIS 8 HB2 HIS 8 14.090 11.989 1.944
201 HB3 HIS 8 HB3 HIS 8 13.461 11.620 0.341
202 HD1 HIS 8 HD1 HIS 8 13.656 13.641 -1.439
203 HD2 HIS 8 HD2 HIS 8 15.949 13.980 2.009
204 HE1 HIS 8 HE1 HIS 8 15.399 15.379 -1.958
205 H ASN 9 H ASN 9 10.685 11.213 0.444
206 HA ASN 9 HA ASN 9 9.955 12.945 -1.818
207 HB2 ASN 9 HB2 ASN 9 9.633 9.946 -1.586
208 HB3 ASN 9 HB3 ASN 9 9.389 10.925 -3.030
209 HD21 ASN 9 HD21 ASN 9 10.995 10.911 -4.411
210 HD22 ASN 9 HD22 ASN 9 12.658 10.623 -4.043
211 H LEU 10 H LEU 10 8.800 12.808 0.991
212 HA LEU 10 HA LEU 10 6.001 12.332 0.202
213 HB2 LEU 10 HB2 LEU 10 6.328 10.751 1.838
214 HB3 LEU 10 HB3 LEU 10 7.478 11.752 2.723
215 HG LEU 10 HG LEU 10 5.552 13.177 3.448
216 HD11 LEU 10 HD11 LEU 10 3.928 10.935 2.255
217 HD12 LEU 10 HD12 LEU 10 3.991 12.598 1.673
218 HD13 LEU 10 HD13 LEU 10 3.302 12.244 3.258
219 HD21 LEU 10 HD21 LEU 10 6.572 11.001 4.594
220 HD22 LEU 10 HD22 LEU 10 4.920 10.429 4.362
221 HD23 LEU 10 HD23 LEU 10 5.223 11.896 5.295
222 H PHE 11 H PHE 11 8.296 14.471 1.702
223 HA PHE 11 HA PHE 11 6.639 16.277 2.992
224 HB2 PHE 11 HB2 PHE 11 9.342 16.348 1.824
225 HB3 PHE 11 HB3 PHE 11 8.558 17.919 1.952
226 HD1 PHE 11 HD1 PHE 11 7.946 15.159 4.296
227 HD2 PHE 11 HD2 PHE 11 10.028 18.806 3.605
228 HE1 PHE 11 HE1 PHE 11 8.551 15.262 6.679
229 HE2 PHE 11 HE2 PHE 11 10.637 18.914 5.987
230 HZ PHE 11 HZ PHE 11 9.899 17.140 7.527
231 H ARG 12 H ARG 12 7.055 15.709 -0.387
232 HA ARG 12 HA ARG 12 6.116 18.215 -1.339
233 HB2 ARG 12 HB2 ARG 12 6.773 15.589 -2.477
234 HB3 ARG 12 HB3 ARG 12 5.488 16.435 -3.328
235 HG2 ARG 12 HG2 ARG 12 6.929 18.352 -3.663
236 HG3 ARG 12 HG3 ARG 12 8.212 17.570 -2.738
237 HD2 ARG 12 HD2 ARG 12 7.697 15.659 -4.573
238 HD3 ARG 12 HD3 ARG 12 7.309 17.105 -5.504
239 HE ARG 12 HE ARG 12 9.764 17.530 -4.256
240 HH11 ARG 12 HH11 ARG 12 8.377 15.455 -6.684
241 HH12 ARG 12 HH12 ARG 12 9.864 15.261 -7.553
242 HH21 ARG 12 HH21 ARG 12 11.727 17.283 -5.392
243 HH22 ARG 12 HH22 ARG 12 11.767 16.300 -6.817
244 H LYS 13 H LYS 13 4.527 15.053 -0.944
245 HA LYS 13 HA LYS 13 1.942 16.467 -0.906
246 HB2 LYS 13 HB2 LYS 13 2.772 13.978 -2.326
247 HB3 LYS 13 HB3 LYS 13 1.129 14.070 -1.705
248 HG2 LYS 13 HG2 LYS 13 0.642 15.973 -3.043
249 HG3 LYS 13 HG3 LYS 13 2.335 16.157 -3.503
250 HD2 LYS 13 HD2 LYS 13 2.121 13.808 -4.507
251 HD3 LYS 13 HD3 LYS 13 0.378 14.041 -4.349
252 HE2 LYS 13 HE2 LYS 13 1.830 16.269 -5.603
253 HE3 LYS 13 HE3 LYS 13 1.839 14.763 -6.519
254 HZ1 LYS 13 HZ1 LYS 13 -0.423 16.482 -5.793
255 HZ2 LYS 13 HZ2 LYS 13 -0.696 14.823 -5.974
256 HZ3 LYS 13 HZ3 LYS 13 -0.078 15.724 -7.265
257 H LEU 14 H LEU 14 2.842 16.420 1.460
258 HA LEU 14 HA LEU 14 2.944 14.198 3.051
259 HB2 LEU 14 HB2 LEU 14 2.441 15.589 4.902
260 HB3 LEU 14 HB3 LEU 14 3.339 16.564 3.742
261 HG LEU 14 HG LEU 14 0.852 17.228 3.015
262 HD11 LEU 14 HD11 LEU 14 0.674 16.292 5.850
263 HD12 LEU 14 HD12 LEU 14 -0.448 16.032 4.513
264 HD13 LEU 14 HD13 LEU 14 -0.334 17.619 5.274
265 HD21 LEU 14 HD21 LEU 14 1.257 19.276 4.000
266 HD22 LEU 14 HD22 LEU 14 2.879 18.588 3.913
267 HD23 LEU 14 HD23 LEU 14 1.990 18.559 5.436
268 H THR 15 H THR 15 0.175 15.568 1.505
269 HA THR 15 HA THR 15 -2.003 14.899 2.908
270 HB THR 15 HB THR 15 -2.307 15.735 0.698
271 HG1 THR 15 HG1 THR 15 -3.300 13.099 0.451
272 HG21 THR 15 HG21 THR 15 -0.288 14.593 -0.260
273 HG22 THR 15 HG22 THR 15 -1.709 14.567 -1.305
274 HG23 THR 15 HG23 THR 15 -1.257 13.127 -0.394
275 H HIS 16 H HIS 16 -0.052 12.554 1.084
276 HA HIS 16 HA HIS 16 -1.602 10.344 2.167
277 HB2 HIS 16 HB2 HIS 16 0.035 8.969 0.781
278 HB3 HIS 16 HB3 HIS 16 -1.027 10.052 -0.112
279 HD1 HIS 16 HD1 HIS 16 2.536 9.958 1.194
280 HD2 HIS 16 HD2 HIS 16 0.270 11.750 -1.791
281 HE1 HIS 16 HE1 HIS 16 4.182 11.206 -0.241
282 H ARG 17 H ARG 17 -1.074 9.273 3.950
283 HA ARG 17 HA ARG 17 1.472 9.848 5.244
284 HB2 ARG 17 HB2 ARG 17 -1.082 8.539 6.150
285 HB3 ARG 17 HB3 ARG 17 0.389 8.440 7.110
286 HG2 ARG 17 HG2 ARG 17 -0.937 11.004 6.253
287 HG3 ARG 17 HG3 ARG 17 -1.123 10.243 7.834
288 HD2 ARG 17 HD2 ARG 17 1.411 10.367 8.015
289 HD3 ARG 17 HD3 ARG 17 1.352 11.439 6.616
290 HE ARG 17 HE ARG 17 0.630 12.080 9.317
291 HH11 ARG 17 HH11 ARG 17 0.093 12.858 5.966
292 HH12 ARG 17 HH12 ARG 17 -0.414 14.483 6.289
293 HH21 ARG 17 HH21 ARG 17 -0.036 14.216 9.755
294 HH22 ARG 17 HH22 ARG 17 -0.487 15.254 8.445
295 H LEU 18 H LEU 18 1.242 8.099 2.848
296 HA LEU 18 HA LEU 18 1.415 5.409 3.322
297 HB2 LEU 18 HB2 LEU 18 2.875 5.270 1.365
298 HB3 LEU 18 HB3 LEU 18 1.508 6.350 1.097
299 HG LEU 18 HG LEU 18 3.213 8.219 1.731
300 HD11 LEU 18 HD11 LEU 18 4.869 5.886 1.764
301 HD12 LEU 18 HD12 LEU 18 5.287 7.557 2.141
302 HD13 LEU 18 HD13 LEU 18 5.399 6.974 0.481
303 HD21 LEU 18 HD21 LEU 18 3.848 8.423 -0.615
304 HD22 LEU 18 HD22 LEU 18 2.154 7.957 -0.456
305 HD23 LEU 18 HD23 LEU 18 3.362 6.751 -0.900
306 H PHE 19 H PHE 19 3.675 7.879 4.214
307 HA PHE 19 HA PHE 19 6.027 6.455 4.519
308 HB2 PHE 19 HB2 PHE 19 6.116 8.798 4.851
309 HB3 PHE 19 HB3 PHE 19 4.868 8.749 6.091
310 HD1 PHE 19 HD1 PHE 19 7.763 6.471 5.871
311 HD2 PHE 19 HD2 PHE 19 6.026 9.821 7.840
312 HE1 PHE 19 HE1 PHE 19 9.501 6.346 7.608
313 HE2 PHE 19 HE2 PHE 19 7.762 9.701 9.580
314 HZ PHE 19 HZ PHE 19 9.503 7.963 9.465
315 H ARG 20 H ARG 20 3.454 6.926 6.937
316 HA ARG 20 HA ARG 20 4.579 4.676 8.462
317 HB2 ARG 20 HB2 ARG 20 3.115 5.589 10.326
318 HB3 ARG 20 HB3 ARG 20 4.483 6.587 9.853
319 HG2 ARG 20 HG2 ARG 20 3.014 8.018 8.550
320 HG3 ARG 20 HG3 ARG 20 1.636 6.999 8.968
321 HD2 ARG 20 HD2 ARG 20 3.278 8.113 11.180
322 HD3 ARG 20 HD3 ARG 20 2.208 9.211 10.310
323 HE ARG 20 HE ARG 20 0.750 6.928 11.002
324 HH11 ARG 20 HH11 ARG 20 2.312 9.639 12.531
325 HH12 ARG 20 HH12 ARG 20 1.237 9.659 13.890
326 HH21 ARG 20 HH21 ARG 20 -0.672 6.946 12.786
327 HH22 ARG 20 HH22 ARG 20 -0.460 8.126 14.034
328 H ARG 21 H ARG 21 1.584 6.006 7.140
329 HA ARG 21 HA ARG 21 -0.161 4.005 8.050
330 HB2 ARG 21 HB2 ARG 21 -0.259 5.870 5.687
331 HB3 ARG 21 HB3 ARG 21 -1.552 4.727 6.023
332 HG2 ARG 21 HG2 ARG 21 -0.596 6.887 7.892
333 HG3 ARG 21 HG3 ARG 21 -2.049 6.954 6.892
334 HD2 ARG 21 HD2 ARG 21 -2.447 4.613 8.174
335 HD3 ARG 21 HD3 ARG 21 -1.531 5.490 9.398
336 HE ARG 21 HE ARG 21 -4.233 5.942 8.649
337 HH11 ARG 21 HH11 ARG 21 -1.338 7.567 9.697
338 HH12 ARG 21 HH12 ARG 21 -2.188 8.890 10.425
339 HH21 ARG 21 HH21 ARG 21 -5.363 7.679 9.603
340 HH22 ARG 21 HH22 ARG 21 -4.477 8.952 10.372
341 H ASN 22 H ASN 22 2.283 3.921 5.674
342 HA ASN 22 HA ASN 22 1.264 1.334 4.701
343 HB2 ASN 22 HB2 ASN 22 1.450 3.461 3.096
344 HB3 ASN 22 HB3 ASN 22 3.119 2.909 2.985
345 HD21 ASN 22 HD21 ASN 22 2.759 2.463 0.776
346 HD22 ASN 22 HD22 ASN 22 1.916 1.037 0.283
347 H PHE 23 H PHE 23 4.264 3.255 4.898
348 HA PHE 23 HA PHE 23 5.820 0.813 5.174
349 HB2 PHE 23 HB2 PHE 23 6.563 3.718 4.855
350 HB3 PHE 23 HB3 PHE 23 7.760 2.477 5.213
351 HD1 PHE 23 HD1 PHE 23 5.569 3.904 2.692
352 HD2 PHE 23 HD2 PHE 23 8.281 0.742 3.570
353 HE1 PHE 23 HE1 PHE 23 5.750 3.396 0.291
354 HE2 PHE 23 HE2 PHE 23 8.465 0.230 1.171
355 HZ PHE 23 HZ PHE 23 7.200 1.558 -0.473
356 H GLY 24 H GLY 24 3.965 2.129 7.275
357 HA2 GLY 24 HA2 GLY 24 5.954 2.257 9.453
358 HA3 GLY 24 HA3 GLY 24 4.396 3.068 9.486
359 H TYR 25 H TYR 25 3.202 0.560 8.246
360 HA TYR 25 HA TYR 25 2.516 -0.680 10.749
361 HB2 TYR 25 HB2 TYR 25 1.282 -0.392 8.249
362 HB3 TYR 25 HB3 TYR 25 1.570 -2.120 8.424
363 HD1 TYR 25 HD1 TYR 25 0.415 -3.410 10.109
364 HD2 TYR 25 HD2 TYR 25 -0.201 0.788 9.793
365 HE1 TYR 25 HE1 TYR 25 -1.562 -3.597 11.560
366 HE2 TYR 25 HE2 TYR 25 -2.179 0.613 11.246
367 HH TYR 25 HH TYR 25 -3.636 -2.344 12.015
368 H THR 26 H THR 26 4.936 -1.146 8.457
369 HA THR 26 HA THR 26 5.241 -3.992 9.100
370 HB THR 26 HB THR 26 6.146 -2.281 6.849
371 HG1 THR 26 HG1 THR 26 4.556 -3.705 6.347
372 HG21 THR 26 HG21 THR 26 8.290 -2.992 7.708
373 HG22 THR 26 HG22 THR 26 7.914 -3.919 6.255
374 HG23 THR 26 HG23 THR 26 7.721 -4.655 7.846
375 H LEU 27 H LEU 27 7.238 -1.045 8.876
376 HA LEU 27 HA LEU 27 9.419 -2.193 10.309
377 HB2 LEU 27 HB2 LEU 27 8.924 0.153 8.828
378 HB3 LEU 27 HB3 LEU 27 9.427 0.666 10.437
379 HG LEU 27 HG LEU 27 10.985 -1.131 8.579
380 HD11 LEU 27 HD11 LEU 27 12.365 0.670 8.111
381 HD12 LEU 27 HD12 LEU 27 11.807 1.593 9.506
382 HD13 LEU 27 HD13 LEU 27 10.758 1.398 8.101
383 HD21 LEU 27 HD21 LEU 27 11.443 -1.778 10.829
384 HD22 LEU 27 HD22 LEU 27 11.576 -0.098 11.348
385 HD23 LEU 27 HD23 LEU 27 12.794 -0.789 10.273
386 H ARG 28 H ARG 28 6.448 -1.440 11.375
387 HA ARG 28 HA ARG 28 6.699 0.137 13.623
388 HB2 ARG 28 HB2 ARG 28 4.790 -1.197 14.550
389 HB3 ARG 28 HB3 ARG 28 4.532 -0.595 12.918
390 HG2 ARG 28 HG2 ARG 28 4.910 -2.742 11.976
391 HG3 ARG 28 HG3 ARG 28 5.482 -3.382 13.517
392 HD2 ARG 28 HD2 ARG 28 2.990 -2.418 14.145
393 HD3 ARG 28 HD3 ARG 28 2.761 -3.045 12.514
394 HE ARG 28 HE ARG 28 4.107 -5.019 13.853
395 HH11 ARG 28 HH11 ARG 28 1.112 -3.303 14.298
396 HH12 ARG 28 HH12 ARG 28 0.318 -4.627 15.084
397 HH21 ARG 28 HH21 ARG 28 3.074 -6.771 14.885
398 HH22 ARG 28 HH22 ARG 28 1.436 -6.600 15.418
Start of MODEL 4
1 H1 VAL 1 H VAL 1 1.749 -1.203 -0.332
2 HA VAL 1 HA VAL 1 2.517 -2.160 -2.843
3 HB VAL 1 HB VAL 1 0.752 -0.586 -3.644
4 HG11 VAL 1 HG11 VAL 1 1.074 1.787 -3.500
5 HG12 VAL 1 HG12 VAL 1 1.121 1.118 -1.868
6 HG13 VAL 1 HG13 VAL 1 2.620 1.574 -2.679
7 HG21 VAL 1 HG21 VAL 1 3.537 0.219 -4.471
8 HG22 VAL 1 HG22 VAL 1 2.725 -1.250 -5.011
9 HG23 VAL 1 HG23 VAL 1 2.064 0.329 -5.435
10 H ALA 2 H ALA 2 4.635 -1.573 -3.392
11 HA ALA 2 HA ALA 2 6.024 0.033 -1.347
12 HB1 ALA 2 HB1 ALA 2 7.811 -1.419 -1.356
13 HB2 ALA 2 HB2 ALA 2 6.457 -2.526 -1.593
14 HB3 ALA 2 HB3 ALA 2 7.442 -2.032 -2.970
15 H ARG 3 H ARG 3 5.341 1.808 -2.891
16 HA ARG 3 HA ARG 3 7.284 2.045 -5.094
17 HB2 ARG 3 HB2 ARG 3 5.745 3.203 -6.364
18 HB3 ARG 3 HB3 ARG 3 4.696 2.083 -5.505
19 HG2 ARG 3 HG2 ARG 3 4.281 3.895 -3.830
20 HG3 ARG 3 HG3 ARG 3 5.154 4.992 -4.902
21 HD2 ARG 3 HD2 ARG 3 3.318 3.693 -6.544
22 HD3 ARG 3 HD3 ARG 3 2.433 4.035 -5.058
23 HE ARG 3 HE ARG 3 2.532 6.277 -5.543
24 HH11 ARG 3 HH11 ARG 3 4.705 4.533 -7.630
25 HH12 ARG 3 HH12 ARG 3 5.025 5.895 -8.651
26 HH21 ARG 3 HH21 ARG 3 2.946 8.078 -6.881
27 HH22 ARG 3 HH22 ARG 3 4.025 7.912 -8.223
28 H GLY 4 H GLY 4 6.301 3.275 -2.080
29 HA2 GLY 4 HA2 GLY 4 7.396 5.930 -2.485
30 HA3 GLY 4 HA3 GLY 4 6.728 5.292 -0.990
31 H TRP 5 H TRP 5 8.728 2.937 -1.902
32 HA TRP 5 HA TRP 5 11.046 4.142 -0.537
33 HB2 TRP 5 HB2 TRP 5 9.702 1.502 -0.185
34 HB3 TRP 5 HB3 TRP 5 11.449 1.579 0.029
35 HD1 TRP 5 HD1 TRP 5 9.844 4.743 1.127
36 HE1 TRP 5 HE1 TRP 5 9.696 4.822 3.696
37 HE3 TRP 5 HE3 TRP 5 10.985 -0.133 2.157
38 HZ2 TRP 5 HZ2 TRP 5 10.019 3.052 5.870
39 HZ3 TRP 5 HZ3 TRP 5 11.045 -0.858 4.508
40 HH2 TRP 5 HH2 TRP 5 10.573 0.702 6.324
41 H LYS 6 H LYS 6 9.888 2.553 -3.313
42 HA LYS 6 HA LYS 6 12.650 2.107 -4.241
43 HB2 LYS 6 HB2 LYS 6 10.179 0.600 -5.117
44 HB3 LYS 6 HB3 LYS 6 11.827 0.302 -5.654
45 HG2 LYS 6 HG2 LYS 6 12.222 -1.026 -3.924
46 HG3 LYS 6 HG3 LYS 6 11.657 0.196 -2.782
47 HD2 LYS 6 HD2 LYS 6 9.457 -0.578 -2.858
48 HD3 LYS 6 HD3 LYS 6 9.715 -1.442 -4.377
49 HE2 LYS 6 HE2 LYS 6 9.717 -3.185 -2.883
50 HE3 LYS 6 HE3 LYS 6 11.438 -2.806 -2.950
51 HZ1 LYS 6 HZ1 LYS 6 9.708 -2.749 -0.727
52 HZ2 LYS 6 HZ2 LYS 6 10.328 -1.196 -0.980
53 HZ3 LYS 6 HZ3 LYS 6 11.381 -2.504 -0.772
54 H ARG 7 H ARG 7 9.340 2.701 -5.430
55 HA ARG 7 HA ARG 7 10.069 3.625 -7.969
56 HB2 ARG 7 HB2 ARG 7 7.708 3.117 -6.725
57 HB3 ARG 7 HB3 ARG 7 7.688 4.875 -6.751
58 HG2 ARG 7 HG2 ARG 7 7.094 4.879 -8.882
59 HG3 ARG 7 HG3 ARG 7 8.495 3.896 -9.313
60 HD2 ARG 7 HD2 ARG 7 7.145 1.902 -8.481
61 HD3 ARG 7 HD3 ARG 7 5.752 2.983 -8.496
62 HE ARG 7 HE ARG 7 5.668 2.741 -10.759
63 HH11 ARG 7 HH11 ARG 7 8.874 1.921 -9.677
64 HH12 ARG 7 HH12 ARG 7 9.414 1.415 -11.243
65 HH21 ARG 7 HH21 ARG 7 6.368 2.077 -12.826
66 HH22 ARG 7 HH22 ARG 7 7.988 1.505 -13.034
67 H LYS 8 H LYS 8 9.201 5.514 -5.071
68 HA LYS 8 HA LYS 8 9.743 8.038 -6.149
69 HB2 LYS 8 HB2 LYS 8 9.377 6.907 -3.445
70 HB3 LYS 8 HB3 LYS 8 10.281 8.415 -3.515
71 HG2 LYS 8 HG2 LYS 8 7.945 8.870 -3.145
72 HG3 LYS 8 HG3 LYS 8 8.420 9.450 -4.743
73 HD2 LYS 8 HD2 LYS 8 7.566 7.193 -5.606
74 HD3 LYS 8 HD3 LYS 8 6.786 7.032 -4.030
75 HE2 LYS 8 HE2 LYS 8 5.137 7.972 -5.394
76 HE3 LYS 8 HE3 LYS 8 5.790 9.343 -4.497
77 HZ1 LYS 8 HZ1 LYS 8 6.723 8.603 -7.210
78 HZ2 LYS 8 HZ2 LYS 8 7.022 10.039 -6.369
79 HZ3 LYS 8 HZ3 LYS 8 5.465 9.701 -6.939
80 H CYS 9 H CYS 9 11.739 6.659 -3.561
81 HA CYS 9 HA CYS 9 14.124 7.566 -5.036
82 HB2 CYS 9 HB2 CYS 9 13.429 8.860 -2.912
83 HB3 CYS 9 HB3 CYS 9 13.979 7.438 -2.033
84 HG CYS 9 HG CYS 9 16.580 7.651 -3.382
85 HA PRO 10 HA PRO 10 15.163 3.242 -4.797
86 HB2 PRO 10 HB2 PRO 10 17.557 3.464 -6.058
87 HB3 PRO 10 HB3 PRO 10 16.012 3.490 -6.917
88 HG2 PRO 10 HG2 PRO 10 17.759 5.776 -6.092
89 HG3 PRO 10 HG3 PRO 10 16.903 5.518 -7.624
90 HD2 PRO 10 HD2 PRO 10 15.963 7.162 -5.688
91 HD3 PRO 10 HD3 PRO 10 14.891 6.245 -6.766
92 H LEU 11 H LEU 11 15.647 4.979 -2.501
93 HA LEU 11 HA LEU 11 18.382 4.473 -1.692
94 HB2 LEU 11 HB2 LEU 11 16.057 5.948 -0.581
95 HB3 LEU 11 HB3 LEU 11 17.291 5.390 0.546
96 HG LEU 11 HG LEU 11 17.863 7.143 -1.839
97 HD11 LEU 11 HD11 LEU 11 16.340 8.040 0.095
98 HD12 LEU 11 HD12 LEU 11 17.652 9.026 -0.550
99 HD13 LEU 11 HD13 LEU 11 17.870 8.151 0.965
100 HD21 LEU 11 HD21 LEU 11 19.713 7.348 0.326
101 HD22 LEU 11 HD22 LEU 11 20.000 6.829 -1.335
102 HD23 LEU 11 HD23 LEU 11 19.522 5.651 -0.112
103 H PHE 12 H PHE 12 15.148 3.290 -0.933
104 HA PHE 12 HA PHE 12 16.315 1.289 0.870
105 HB2 PHE 12 HB2 PHE 12 14.342 2.792 1.564
106 HB3 PHE 12 HB3 PHE 12 13.370 1.790 0.492
107 HD1 PHE 12 HD1 PHE 12 14.745 2.130 3.751
108 HD2 PHE 12 HD2 PHE 12 13.375 -0.734 0.916
109 HE1 PHE 12 HE1 PHE 12 14.461 0.484 5.557
110 HE2 PHE 12 HE2 PHE 12 13.088 -2.384 2.718
111 HZ PHE 12 HZ PHE 12 13.630 -1.776 5.042
112 H GLY 13 H GLY 13 14.726 1.696 -2.179
113 HA2 GLY 13 HA2 GLY 13 13.872 -1.008 -2.507
114 HA3 GLY 13 HA3 GLY 13 14.016 0.197 -3.778
115 H LYS 14 H LYS 14 15.650 0.036 -5.190
116 HA LYS 14 HA LYS 14 17.185 -2.274 -5.389
117 HB2 LYS 14 HB2 LYS 14 18.330 -1.215 -7.193
118 HB3 LYS 14 HB3 LYS 14 16.670 -0.638 -7.232
119 HG2 LYS 14 HG2 LYS 14 17.506 1.379 -5.928
120 HG3 LYS 14 HG3 LYS 14 19.131 0.826 -6.338
121 HD2 LYS 14 HD2 LYS 14 17.961 0.722 -8.766
122 HD3 LYS 14 HD3 LYS 14 17.053 2.050 -8.039
123 HE2 LYS 14 HE2 LYS 14 18.911 3.027 -9.134
124 HE3 LYS 14 HE3 LYS 14 19.272 3.066 -7.409
125 HZ1 LYS 14 HZ1 LYS 14 20.920 1.539 -7.623
126 HZ2 LYS 14 HZ2 LYS 14 21.013 2.216 -9.171
127 HZ3 LYS 14 HZ3 LYS 14 20.199 0.752 -8.936
128 H GLY 15 H GLY 15 17.748 0.630 -3.589
129 HA2 GLY 15 HA2 GLY 15 20.543 -0.124 -3.098
130 HA3 GLY 15 HA3 GLY 15 19.811 1.423 -2.700
131 H GLY 16 H GLY 16 18.535 -1.792 -1.960
132 HA2 GLY 16 HA2 GLY 16 17.858 -1.169 0.679
133 HA3 GLY 16 HA3 GLY 16 18.038 -2.797 0.041
134 H1 LYS 1 H LYS 1 17.680 3.699 7.450
135 HA LYS 1 HA LYS 1 18.336 6.115 5.900
136 HB2 LYS 1 HB2 LYS 1 18.589 3.201 5.328
137 HB3 LYS 1 HB3 LYS 1 18.232 4.275 3.981
138 HG2 LYS 1 HG2 LYS 1 20.261 5.630 5.034
139 HG3 LYS 1 HG3 LYS 1 20.691 4.017 5.609
140 HD2 LYS 1 HD2 LYS 1 19.895 3.871 2.863
141 HD3 LYS 1 HD3 LYS 1 21.124 5.123 3.052
142 HE2 LYS 1 HE2 LYS 1 22.737 3.638 3.644
143 HE3 LYS 1 HE3 LYS 1 21.600 2.564 4.458
144 HZ1 LYS 1 HZ1 LYS 1 22.096 1.316 2.642
145 HZ2 LYS 1 HZ2 LYS 1 22.385 2.650 1.641
146 HZ3 LYS 1 HZ3 LYS 1 20.796 2.190 2.000
147 H TYR 2 H TYR 2 15.919 3.652 6.506
148 HA TYR 2 HA TYR 2 14.122 4.092 4.466
149 HB2 TYR 2 HB2 TYR 2 12.357 3.525 6.269
150 HB3 TYR 2 HB3 TYR 2 13.594 2.327 5.906
151 HD1 TYR 2 HD1 TYR 2 15.169 1.644 7.558
152 HD2 TYR 2 HD2 TYR 2 12.520 4.878 8.350
153 HE1 TYR 2 HE1 TYR 2 15.804 1.575 9.933
154 HE2 TYR 2 HE2 TYR 2 13.148 4.818 10.727
155 HH TYR 2 HH TYR 2 15.222 2.290 12.017
156 H GLU 3 H GLU 3 14.559 5.945 7.444
157 HA GLU 3 HA GLU 3 12.360 7.600 7.360
158 HB2 GLU 3 HB2 GLU 3 13.837 9.303 8.490
159 HB3 GLU 3 HB3 GLU 3 13.809 7.715 9.243
160 HG2 GLU 3 HG2 GLU 3 15.928 7.187 8.043
161 HG3 GLU 3 HG3 GLU 3 15.973 8.863 7.499
162 H ILE 4 H ILE 4 15.481 8.062 5.727
163 HA ILE 4 HA ILE 4 14.739 10.507 4.479
164 HB ILE 4 HB ILE 4 16.887 8.589 3.579
165 HG12 ILE 4 HG12 ILE 4 18.096 10.642 5.000
166 HG13 ILE 4 HG13 ILE 4 16.676 10.255 5.965
167 HG21 ILE 4 HG21 ILE 4 16.621 10.172 1.894
168 HG22 ILE 4 HG22 ILE 4 16.289 11.473 3.036
169 HG23 ILE 4 HG23 ILE 4 17.926 10.836 2.877
170 HD11 ILE 4 HD11 ILE 4 17.396 7.867 5.911
171 HD12 ILE 4 HD12 ILE 4 18.894 8.403 5.148
172 HD13 ILE 4 HD13 ILE 4 18.486 8.954 6.772
173 H THR 5 H THR 5 13.659 7.424 3.965
174 HA THR 5 HA THR 5 13.246 7.819 1.083
175 HB THR 5 HB THR 5 12.271 5.288 2.118
176 HG1 THR 5 HG1 THR 5 14.858 6.142 2.814
177 HG21 THR 5 HG21 THR 5 13.497 6.356 -0.200
178 HG22 THR 5 HG22 THR 5 12.818 4.743 0.030
179 HG23 THR 5 HG23 THR 5 14.520 5.043 0.379
180 H THR 6 H THR 6 11.661 7.981 4.091
181 HA THR 6 HA THR 6 9.046 8.072 2.732
182 HB THR 6 HB THR 6 8.587 6.306 4.083
183 HG1 THR 6 HG1 THR 6 7.368 8.138 4.914
184 HG21 THR 6 HG21 THR 6 10.628 5.735 5.002
185 HG22 THR 6 HG22 THR 6 9.712 6.172 6.444
186 HG23 THR 6 HG23 THR 6 10.855 7.318 5.745
187 H ILE 7 H ILE 7 11.363 9.883 4.198
188 HA ILE 7 HA ILE 7 9.399 11.855 5.169
189 HB ILE 7 HB ILE 7 12.262 11.561 6.084
190 HG12 ILE 7 HG12 ILE 7 9.721 10.903 7.587
191 HG13 ILE 7 HG13 ILE 7 10.745 9.703 6.806
192 HG21 ILE 7 HG21 ILE 7 10.222 13.617 6.433
193 HG22 ILE 7 HG22 ILE 7 10.916 13.049 7.950
194 HG23 ILE 7 HG23 ILE 7 11.966 13.693 6.688
195 HD11 ILE 7 HD11 ILE 7 12.589 10.879 8.310
196 HD12 ILE 7 HD12 ILE 7 11.171 11.236 9.295
197 HD13 ILE 7 HD13 ILE 7 11.574 9.564 8.903
198 H HIS 8 H HIS 8 11.809 11.172 2.893
199 HA HIS 8 HA HIS 8 11.946 14.016 2.140
200 HB2 HIS 8 HB2 HIS 8 14.092 12.201 2.728
201 HB3 HIS 8 HB3 HIS 8 14.184 12.683 1.036
202 HD1 HIS 8 HD1 HIS 8 13.337 15.606 1.230
203 HD2 HIS 8 HD2 HIS 8 15.960 13.789 3.891
204 HE1 HIS 8 HE1 HIS 8 14.689 17.479 2.225
205 H ASN 9 H ASN 9 10.652 11.156 1.325
206 HA ASN 9 HA ASN 9 11.135 11.326 -1.544
207 HB2 ASN 9 HB2 ASN 9 9.850 9.319 0.269
208 HB3 ASN 9 HB3 ASN 9 9.444 9.312 -1.444
209 HD21 ASN 9 HD21 ASN 9 10.392 7.238 -1.587
210 HD22 ASN 9 HD22 ASN 9 12.107 7.051 -1.669
211 H LEU 10 H LEU 10 8.250 11.107 0.549
212 HA LEU 10 HA LEU 10 6.851 12.845 -1.376
213 HB2 LEU 10 HB2 LEU 10 4.776 11.627 -0.351
214 HB3 LEU 10 HB3 LEU 10 5.698 10.895 -1.663
215 HG LEU 10 HG LEU 10 6.409 10.185 1.141
216 HD11 LEU 10 HD11 LEU 10 3.776 9.899 0.125
217 HD12 LEU 10 HD12 LEU 10 4.445 9.291 1.639
218 HD13 LEU 10 HD13 LEU 10 4.520 8.301 0.182
219 HD21 LEU 10 HD21 LEU 10 7.372 8.362 0.193
220 HD22 LEU 10 HD22 LEU 10 7.443 9.444 -1.198
221 HD23 LEU 10 HD23 LEU 10 6.157 8.241 -1.080
222 H PHE 11 H PHE 11 8.145 12.732 1.627
223 HA PHE 11 HA PHE 11 6.045 14.117 3.055
224 HB2 PHE 11 HB2 PHE 11 8.552 12.811 3.725
225 HB3 PHE 11 HB3 PHE 11 8.400 14.372 4.526
226 HD1 PHE 11 HD1 PHE 11 8.088 13.672 6.746
227 HD2 PHE 11 HD2 PHE 11 5.630 12.085 3.655
228 HE1 PHE 11 HE1 PHE 11 6.620 12.657 8.440
229 HE2 PHE 11 HE2 PHE 11 4.157 11.068 5.344
230 HZ PHE 11 HZ PHE 11 4.651 11.355 7.740
231 H ARG 12 H ARG 12 8.469 14.963 0.883
232 HA ARG 12 HA ARG 12 9.149 17.529 1.955
233 HB2 ARG 12 HB2 ARG 12 10.343 17.887 -0.089
234 HB3 ARG 12 HB3 ARG 12 10.594 16.212 0.387
235 HG2 ARG 12 HG2 ARG 12 8.830 15.540 -1.215
236 HG3 ARG 12 HG3 ARG 12 8.724 17.220 -1.746
237 HD2 ARG 12 HD2 ARG 12 11.037 17.172 -2.461
238 HD3 ARG 12 HD3 ARG 12 11.222 15.532 -1.840
239 HE ARG 12 HE ARG 12 9.143 15.435 -3.650
240 HH11 ARG 12 HH11 ARG 12 12.524 16.264 -3.699
241 HH12 ARG 12 HH12 ARG 12 12.754 15.777 -5.346
242 HH21 ARG 12 HH21 ARG 12 9.432 14.791 -5.820
243 HH22 ARG 12 HH22 ARG 12 10.995 14.940 -6.552
244 H LYS 13 H LYS 13 6.367 16.354 0.583
245 HA LYS 13 HA LYS 13 5.573 19.036 -0.346
246 HB2 LYS 13 HB2 LYS 13 5.215 16.378 -1.553
247 HB3 LYS 13 HB3 LYS 13 3.756 17.359 -1.518
248 HG2 LYS 13 HG2 LYS 13 5.832 19.041 -2.399
249 HG3 LYS 13 HG3 LYS 13 5.997 17.519 -3.279
250 HD2 LYS 13 HD2 LYS 13 4.451 18.402 -4.651
251 HD3 LYS 13 HD3 LYS 13 3.308 17.916 -3.396
252 HE2 LYS 13 HE2 LYS 13 2.892 20.039 -2.789
253 HE3 LYS 13 HE3 LYS 13 4.584 20.514 -2.931
254 HZ1 LYS 13 HZ1 LYS 13 2.448 20.641 -4.904
255 HZ2 LYS 13 HZ2 LYS 13 3.977 20.210 -5.485
256 HZ3 LYS 13 HZ3 LYS 13 3.766 21.675 -4.665
257 H LEU 14 H LEU 14 3.822 16.044 0.465
258 HA LEU 14 HA LEU 14 2.254 17.603 2.412
259 HB2 LEU 14 HB2 LEU 14 1.421 15.631 0.341
260 HB3 LEU 14 HB3 LEU 14 0.500 15.727 1.840
261 HG LEU 14 HG LEU 14 0.122 18.149 1.370
262 HD11 LEU 14 HD11 LEU 14 1.911 18.716 -0.059
263 HD12 LEU 14 HD12 LEU 14 0.453 18.811 -1.047
264 HD13 LEU 14 HD13 LEU 14 1.523 17.417 -1.187
265 HD21 LEU 14 HD21 LEU 14 -1.343 17.590 -0.747
266 HD22 LEU 14 HD22 LEU 14 -1.739 16.930 0.840
267 HD23 LEU 14 HD23 LEU 14 -0.888 15.935 -0.342
268 H THR 15 H THR 15 2.592 16.961 4.423
269 HA THR 15 HA THR 15 3.610 14.267 4.930
270 HB THR 15 HB THR 15 3.765 15.267 7.347
271 HG1 THR 15 HG1 THR 15 3.014 17.251 7.373
272 HG21 THR 15 HG21 THR 15 5.522 15.083 5.183
273 HG22 THR 15 HG22 THR 15 5.947 15.307 6.881
274 HG23 THR 15 HG23 THR 15 5.754 16.708 5.827
275 H HIS 16 H HIS 16 1.939 12.857 4.980
276 HA HIS 16 HA HIS 16 -0.286 13.469 6.813
277 HB2 HIS 16 HB2 HIS 16 -0.297 11.715 4.349
278 HB3 HIS 16 HB3 HIS 16 -1.657 11.917 5.449
279 HD1 HIS 16 HD1 HIS 16 -1.426 15.028 5.764
280 HD2 HIS 16 HD2 HIS 16 -1.381 12.963 2.159
281 HE1 HIS 16 HE1 HIS 16 -2.165 16.691 4.028
282 H ARG 17 H ARG 17 -0.600 10.376 5.752
283 HA ARG 17 HA ARG 17 0.912 9.288 8.037
284 HB2 ARG 17 HB2 ARG 17 -1.583 7.966 7.045
285 HB3 ARG 17 HB3 ARG 17 -0.852 7.911 8.644
286 HG2 ARG 17 HG2 ARG 17 -2.543 9.285 9.174
287 HG3 ARG 17 HG3 ARG 17 -1.481 10.525 8.501
288 HD2 ARG 17 HD2 ARG 17 -2.863 10.913 6.793
289 HD3 ARG 17 HD3 ARG 17 -3.049 9.192 6.456
290 HE ARG 17 HE ARG 17 -4.870 10.861 7.872
291 HH11 ARG 17 HH11 ARG 17 -3.621 7.616 7.693
292 HH12 ARG 17 HH12 ARG 17 -5.044 6.891 8.363
293 HH21 ARG 17 HH21 ARG 17 -6.749 9.919 8.755
294 HH22 ARG 17 HH22 ARG 17 -6.824 8.202 8.967
295 H LEU 18 H LEU 18 2.331 9.339 5.845
296 HA LEU 18 HA LEU 18 2.065 6.666 4.634
297 HB2 LEU 18 HB2 LEU 18 3.553 8.983 3.432
298 HB3 LEU 18 HB3 LEU 18 3.072 7.477 2.654
299 HG LEU 18 HG LEU 18 0.894 9.211 3.666
300 HD11 LEU 18 HD11 LEU 18 1.896 9.940 0.995
301 HD12 LEU 18 HD12 LEU 18 2.849 10.521 2.360
302 HD13 LEU 18 HD13 LEU 18 1.139 10.935 2.239
303 HD21 LEU 18 HD21 LEU 18 -0.274 7.837 2.376
304 HD22 LEU 18 HD22 LEU 18 1.213 6.993 1.943
305 HD23 LEU 18 HD23 LEU 18 0.649 8.346 0.962
306 H PHE 19 H PHE 19 3.472 7.627 7.131
307 HA PHE 19 HA PHE 19 6.195 6.760 6.420
308 HB2 PHE 19 HB2 PHE 19 6.228 8.995 7.328
309 HB3 PHE 19 HB3 PHE 19 5.240 8.501 8.698
310 HD1 PHE 19 HD1 PHE 19 7.999 6.470 7.384
311 HD2 PHE 19 HD2 PHE 19 6.772 9.240 10.374
312 HE1 PHE 19 HE1 PHE 19 10.039 5.979 8.671
313 HE2 PHE 19 HE2 PHE 19 8.809 8.754 11.665
314 HZ PHE 19 HZ PHE 19 10.446 7.123 10.815
315 H ARG 20 H ARG 20 3.716 6.552 8.957
316 HA ARG 20 HA ARG 20 4.895 3.979 9.779
317 HB2 ARG 20 HB2 ARG 20 3.316 5.990 11.390
318 HB3 ARG 20 HB3 ARG 20 3.752 4.388 11.972
319 HG2 ARG 20 HG2 ARG 20 6.044 4.910 12.009
320 HG3 ARG 20 HG3 ARG 20 5.807 6.364 11.039
321 HD2 ARG 20 HD2 ARG 20 5.015 7.582 12.807
322 HD3 ARG 20 HD3 ARG 20 4.388 6.162 13.643
323 HE ARG 20 HE ARG 20 6.962 7.332 13.964
324 HH11 ARG 20 HH11 ARG 20 5.259 4.295 13.987
325 HH12 ARG 20 HH12 ARG 20 6.385 3.524 15.055
326 HH21 ARG 20 HH21 ARG 20 8.451 6.327 15.370
327 HH22 ARG 20 HH22 ARG 20 8.199 4.680 15.842
328 H ARG 21 H ARG 21 1.974 5.687 8.899
329 HA ARG 21 HA ARG 21 0.237 3.453 9.436
330 HB2 ARG 21 HB2 ARG 21 -0.133 6.148 8.160
331 HB3 ARG 21 HB3 ARG 21 -1.398 4.930 8.079
332 HG2 ARG 21 HG2 ARG 21 -0.186 5.922 10.647
333 HG3 ARG 21 HG3 ARG 21 -1.657 6.576 9.926
334 HD2 ARG 21 HD2 ARG 21 -1.953 3.773 9.990
335 HD3 ARG 21 HD3 ARG 21 -1.322 4.254 11.565
336 HE ARG 21 HE ARG 21 -3.937 4.786 10.515
337 HH11 ARG 21 HH11 ARG 21 -1.475 5.893 12.714
338 HH12 ARG 21 HH12 ARG 21 -2.587 6.742 13.737
339 HH21 ARG 21 HH21 ARG 21 -5.411 5.899 11.854
340 HH22 ARG 21 HH22 ARG 21 -4.825 6.742 13.248
341 H ASN 22 H ASN 22 2.402 4.206 6.998
342 HA ASN 22 HA ASN 22 1.002 2.430 5.110
343 HB2 ASN 22 HB2 ASN 22 1.189 4.822 4.351
344 HB3 ASN 22 HB3 ASN 22 2.938 4.625 4.355
345 HD21 ASN 22 HD21 ASN 22 0.187 4.434 2.519
346 HD22 ASN 22 HD22 ASN 22 0.799 3.495 1.204
347 H PHE 23 H PHE 23 4.237 3.646 5.985
348 HA PHE 23 HA PHE 23 5.373 1.080 5.132
349 HB2 PHE 23 HB2 PHE 23 6.587 3.798 5.602
350 HB3 PHE 23 HB3 PHE 23 7.577 2.353 5.428
351 HD1 PHE 23 HD1 PHE 23 7.784 1.232 3.300
352 HD2 PHE 23 HD2 PHE 23 5.367 4.710 3.724
353 HE1 PHE 23 HE1 PHE 23 7.701 1.467 0.853
354 HE2 PHE 23 HE2 PHE 23 5.280 4.950 1.276
355 HZ PHE 23 HZ PHE 23 6.447 3.327 -0.162
356 H GLY 24 H GLY 24 3.961 1.921 7.761
357 HA2 GLY 24 HA2 GLY 24 6.102 1.024 9.586
358 HA3 GLY 24 HA3 GLY 24 4.753 2.038 10.072
359 H TYR 25 H TYR 25 2.862 0.411 8.456
360 HA TYR 25 HA TYR 25 2.220 -1.488 10.507
361 HB2 TYR 25 HB2 TYR 25 0.839 -0.174 8.399
362 HB3 TYR 25 HB3 TYR 25 0.644 -1.907 8.158
363 HD1 TYR 25 HD1 TYR 25 -0.484 -3.278 9.858
364 HD2 TYR 25 HD2 TYR 25 -0.178 0.946 10.269
365 HE1 TYR 25 HE1 TYR 25 -2.238 -3.324 11.581
366 HE2 TYR 25 HE2 TYR 25 -1.931 0.912 11.994
367 HH TYR 25 HH TYR 25 -2.787 -1.017 13.709
368 H THR 26 H THR 26 4.179 -1.573 7.775
369 HA THR 26 HA THR 26 3.858 -4.465 7.408
370 HB THR 26 HB THR 26 4.928 -2.275 5.709
371 HG1 THR 26 HG1 THR 26 2.990 -3.076 5.068
372 HG21 THR 26 HG21 THR 26 6.898 -3.670 5.900
373 HG22 THR 26 HG22 THR 26 6.169 -3.904 4.311
374 HG23 THR 26 HG23 THR 26 5.943 -5.116 5.573
375 H LEU 27 H LEU 27 6.472 -2.070 7.804
376 HA LEU 27 HA LEU 27 8.468 -4.020 8.339
377 HB2 LEU 27 HB2 LEU 27 8.262 -1.090 8.329
378 HB3 LEU 27 HB3 LEU 27 9.454 -1.745 9.450
379 HG LEU 27 HG LEU 27 10.331 -1.084 7.191
380 HD11 LEU 27 HD11 LEU 27 11.320 -3.594 6.933
381 HD12 LEU 27 HD12 LEU 27 10.725 -3.630 8.593
382 HD13 LEU 27 HD13 LEU 27 11.896 -2.406 8.102
383 HD21 LEU 27 HD21 LEU 27 8.889 -3.568 6.275
384 HD22 LEU 27 HD22 LEU 27 9.913 -2.509 5.304
385 HD23 LEU 27 HD23 LEU 27 8.367 -1.922 5.919
386 H ARG 28 H ARG 28 5.864 -3.178 10.135
387 HA ARG 28 HA ARG 28 6.746 -2.744 12.719
388 HB2 ARG 28 HB2 ARG 28 4.620 -3.638 13.466
389 HB3 ARG 28 HB3 ARG 28 4.377 -2.684 12.009
390 HG2 ARG 28 HG2 ARG 28 4.276 -4.732 10.681
391 HG3 ARG 28 HG3 ARG 28 4.519 -5.689 12.144
392 HD2 ARG 28 HD2 ARG 28 2.275 -3.722 12.010
393 HD3 ARG 28 HD3 ARG 28 2.111 -5.288 11.216
394 HE ARG 28 HE ARG 28 3.002 -5.562 13.906
395 HH11 ARG 28 HH11 ARG 28 0.183 -4.975 11.949
396 HH12 ARG 28 HH12 ARG 28 -0.923 -5.615 13.118
397 HH21 ARG 28 HH21 ARG 28 1.555 -6.409 15.454
398 HH22 ARG 28 HH22 ARG 28 -0.141 -6.430 15.111
Start of MODEL 5
1 H1 VAL 1 H VAL 1 1.062 -1.294 -0.523
2 HA VAL 1 HA VAL 1 2.074 -2.186 -2.962
3 HB VAL 1 HB VAL 1 2.080 -0.157 -4.321
4 HG11 VAL 1 HG11 VAL 1 -0.136 -0.299 -5.141
5 HG12 VAL 1 HG12 VAL 1 0.254 -1.893 -4.491
6 HG13 VAL 1 HG13 VAL 1 -0.763 -0.786 -3.567
7 HG21 VAL 1 HG21 VAL 1 1.822 1.765 -3.197
8 HG22 VAL 1 HG22 VAL 1 0.092 1.467 -3.377
9 HG23 VAL 1 HG23 VAL 1 0.920 0.991 -1.894
10 H ALA 2 H ALA 2 4.236 -1.869 -3.032
11 HA ALA 2 HA ALA 2 5.373 0.079 -1.132
12 HB1 ALA 2 HB1 ALA 2 6.665 -2.526 -1.906
13 HB2 ALA 2 HB2 ALA 2 7.127 -1.427 -0.606
14 HB3 ALA 2 HB3 ALA 2 5.625 -2.343 -0.493
15 H ARG 3 H ARG 3 5.238 1.500 -3.077
16 HA ARG 3 HA ARG 3 7.534 1.048 -4.870
17 HB2 ARG 3 HB2 ARG 3 5.481 2.994 -5.709
18 HB3 ARG 3 HB3 ARG 3 6.344 1.788 -6.652
19 HG2 ARG 3 HG2 ARG 3 4.046 1.204 -4.797
20 HG3 ARG 3 HG3 ARG 3 3.923 1.375 -6.548
21 HD2 ARG 3 HD2 ARG 3 5.956 -0.528 -5.585
22 HD3 ARG 3 HD3 ARG 3 4.281 -0.980 -5.275
23 HE ARG 3 HE ARG 3 5.618 -1.037 -7.778
24 HH11 ARG 3 HH11 ARG 3 2.528 -0.397 -6.306
25 HH12 ARG 3 HH12 ARG 3 1.621 -0.813 -7.722
26 HH21 ARG 3 HH21 ARG 3 4.434 -1.587 -9.649
27 HH22 ARG 3 HH22 ARG 3 2.706 -1.490 -9.623
28 H GLY 4 H GLY 4 6.160 3.046 -2.476
29 HA2 GLY 4 HA2 GLY 4 7.467 5.491 -3.219
30 HA3 GLY 4 HA3 GLY 4 6.684 5.151 -1.683
31 H TRP 5 H TRP 5 8.579 2.620 -1.846
32 HA TRP 5 HA TRP 5 10.903 4.017 -0.690
33 HB2 TRP 5 HB2 TRP 5 9.389 1.606 0.217
34 HB3 TRP 5 HB3 TRP 5 11.120 1.677 0.533
35 HD1 TRP 5 HD1 TRP 5 9.615 5.069 0.679
36 HE1 TRP 5 HE1 TRP 5 9.308 5.803 3.126
37 HE3 TRP 5 HE3 TRP 5 10.435 0.579 2.983
38 HZ2 TRP 5 HZ2 TRP 5 9.402 4.636 5.694
39 HZ3 TRP 5 HZ3 TRP 5 10.309 0.474 5.438
40 HH2 TRP 5 HH2 TRP 5 9.804 2.462 6.764
41 H LYS 6 H LYS 6 9.852 2.111 -3.206
42 HA LYS 6 HA LYS 6 12.558 1.027 -3.652
43 HB2 LYS 6 HB2 LYS 6 11.159 -0.850 -3.462
44 HB3 LYS 6 HB3 LYS 6 9.849 -0.075 -4.343
45 HG2 LYS 6 HG2 LYS 6 12.295 -0.372 -5.907
46 HG3 LYS 6 HG3 LYS 6 11.594 -1.902 -5.373
47 HD2 LYS 6 HD2 LYS 6 9.390 -0.518 -6.221
48 HD3 LYS 6 HD3 LYS 6 10.630 0.023 -7.356
49 HE2 LYS 6 HE2 LYS 6 10.033 -2.865 -6.726
50 HE3 LYS 6 HE3 LYS 6 9.369 -1.991 -8.106
51 HZ1 LYS 6 HZ1 LYS 6 12.278 -2.295 -7.613
52 HZ2 LYS 6 HZ2 LYS 6 11.528 -1.715 -9.013
53 HZ3 LYS 6 HZ3 LYS 6 11.384 -3.348 -8.591
54 H ARG 7 H ARG 7 9.685 2.358 -5.259
55 HA ARG 7 HA ARG 7 11.189 2.857 -7.692
56 HB2 ARG 7 HB2 ARG 7 8.891 2.104 -7.910
57 HB3 ARG 7 HB3 ARG 7 8.324 3.458 -6.942
58 HG2 ARG 7 HG2 ARG 7 9.883 4.245 -9.284
59 HG3 ARG 7 HG3 ARG 7 8.390 3.383 -9.662
60 HD2 ARG 7 HD2 ARG 7 7.925 5.315 -7.588
61 HD3 ARG 7 HD3 ARG 7 8.690 6.089 -8.975
62 HE ARG 7 HE ARG 7 6.023 5.052 -8.829
63 HH11 ARG 7 HH11 ARG 7 8.684 5.752 -10.962
64 HH12 ARG 7 HH12 ARG 7 7.683 5.921 -12.367
65 HH21 ARG 7 HH21 ARG 7 4.696 5.272 -10.670
66 HH22 ARG 7 HH22 ARG 7 5.414 5.648 -12.199
67 H LYS 8 H LYS 8 9.328 4.832 -5.377
68 HA LYS 8 HA LYS 8 9.926 7.338 -6.331
69 HB2 LYS 8 HB2 LYS 8 9.320 6.256 -3.620
70 HB3 LYS 8 HB3 LYS 8 9.891 7.916 -3.737
71 HG2 LYS 8 HG2 LYS 8 7.493 6.791 -5.171
72 HG3 LYS 8 HG3 LYS 8 7.448 7.773 -3.705
73 HD2 LYS 8 HD2 LYS 8 8.655 9.564 -4.997
74 HD3 LYS 8 HD3 LYS 8 8.392 8.595 -6.448
75 HE2 LYS 8 HE2 LYS 8 5.947 8.665 -5.960
76 HE3 LYS 8 HE3 LYS 8 6.291 9.784 -4.642
77 HZ1 LYS 8 HZ1 LYS 8 6.442 10.219 -7.536
78 HZ2 LYS 8 HZ2 LYS 8 7.507 11.078 -6.542
79 HZ3 LYS 8 HZ3 LYS 8 5.837 11.233 -6.325
80 H CYS 9 H CYS 9 11.574 6.119 -3.428
81 HA CYS 9 HA CYS 9 14.070 7.294 -4.465
82 HB2 CYS 9 HB2 CYS 9 12.695 7.636 -1.892
83 HB3 CYS 9 HB3 CYS 9 14.409 7.267 -1.743
84 HG CYS 9 HG CYS 9 14.463 9.485 -3.985
85 HA PRO 10 HA PRO 10 15.392 3.038 -4.121
86 HB2 PRO 10 HB2 PRO 10 17.861 3.455 -5.169
87 HB3 PRO 10 HB3 PRO 10 16.403 3.339 -6.161
88 HG2 PRO 10 HG2 PRO 10 17.867 5.776 -5.223
89 HG3 PRO 10 HG3 PRO 10 17.178 5.431 -6.819
90 HD2 PRO 10 HD2 PRO 10 15.930 7.004 -5.002
91 HD3 PRO 10 HD3 PRO 10 15.042 5.988 -6.156
92 H LEU 11 H LEU 11 15.523 4.840 -1.823
93 HA LEU 11 HA LEU 11 18.211 4.456 -0.766
94 HB2 LEU 11 HB2 LEU 11 15.780 5.937 0.165
95 HB3 LEU 11 HB3 LEU 11 17.113 5.608 1.269
96 HG LEU 11 HG LEU 11 17.807 6.907 -1.299
97 HD11 LEU 11 HD11 LEU 11 16.064 8.154 0.781
98 HD12 LEU 11 HD12 LEU 11 15.984 8.282 -0.976
99 HD13 LEU 11 HD13 LEU 11 17.247 9.134 -0.085
100 HD21 LEU 11 HD21 LEU 11 18.941 6.481 1.283
101 HD22 LEU 11 HD22 LEU 11 18.831 8.216 0.985
102 HD23 LEU 11 HD23 LEU 11 19.687 7.176 -0.155
103 H PHE 12 H PHE 12 14.939 3.270 -0.328
104 HA PHE 12 HA PHE 12 15.831 1.518 1.846
105 HB2 PHE 12 HB2 PHE 12 13.779 2.804 2.245
106 HB3 PHE 12 HB3 PHE 12 13.044 2.086 0.815
107 HD1 PHE 12 HD1 PHE 12 13.822 1.666 4.313
108 HD2 PHE 12 HD2 PHE 12 12.511 -0.338 0.795
109 HE1 PHE 12 HE1 PHE 12 12.974 -0.190 5.690
110 HE2 PHE 12 HE2 PHE 12 11.662 -2.196 2.165
111 HZ PHE 12 HZ PHE 12 11.892 -2.124 4.617
112 H GLY 13 H GLY 13 14.625 1.483 -1.441
113 HA2 GLY 13 HA2 GLY 13 14.127 -1.315 -1.589
114 HA3 GLY 13 HA3 GLY 13 14.327 -0.225 -2.953
115 H LYS 14 H LYS 14 16.252 -0.144 -4.018
116 HA LYS 14 HA LYS 14 18.003 -2.345 -3.765
117 HB2 LYS 14 HB2 LYS 14 19.361 -1.201 -5.473
118 HB3 LYS 14 HB3 LYS 14 17.655 -1.234 -5.903
119 HG2 LYS 14 HG2 LYS 14 18.034 0.930 -6.384
120 HG3 LYS 14 HG3 LYS 14 17.753 1.135 -4.653
121 HD2 LYS 14 HD2 LYS 14 19.732 2.322 -5.083
122 HD3 LYS 14 HD3 LYS 14 20.270 0.793 -4.382
123 HE2 LYS 14 HE2 LYS 14 21.679 0.883 -6.167
124 HE3 LYS 14 HE3 LYS 14 20.313 0.075 -6.935
125 HZ1 LYS 14 HZ1 LYS 14 19.705 1.973 -8.056
126 HZ2 LYS 14 HZ2 LYS 14 21.391 2.110 -8.072
127 HZ3 LYS 14 HZ3 LYS 14 20.481 3.013 -6.969
128 H GLY 15 H GLY 15 17.940 0.764 -2.278
129 HA2 GLY 15 HA2 GLY 15 20.644 1.171 -1.705
130 HA3 GLY 15 HA3 GLY 15 19.307 1.750 -0.722
131 H GLY 16 H GLY 16 18.290 -0.930 -0.161
132 HA2 GLY 16 HA2 GLY 16 20.207 -1.594 1.952
133 HA3 GLY 16 HA3 GLY 16 18.519 -2.080 1.895
134 H1 LYS 1 H LYS 1 18.922 2.923 4.825
135 HA LYS 1 HA LYS 1 18.318 5.698 5.556
136 HB2 LYS 1 HB2 LYS 1 18.787 4.575 2.793
137 HB3 LYS 1 HB3 LYS 1 18.764 6.269 3.263
138 HG2 LYS 1 HG2 LYS 1 20.724 5.345 4.870
139 HG3 LYS 1 HG3 LYS 1 20.907 4.271 3.480
140 HD2 LYS 1 HD2 LYS 1 21.232 6.100 2.001
141 HD3 LYS 1 HD3 LYS 1 20.725 7.267 3.226
142 HE2 LYS 1 HE2 LYS 1 22.835 7.481 3.883
143 HE3 LYS 1 HE3 LYS 1 22.873 5.770 4.304
144 HZ1 LYS 1 HZ1 LYS 1 23.142 6.199 1.492
145 HZ2 LYS 1 HZ2 LYS 1 24.129 5.317 2.545
146 HZ3 LYS 1 HZ3 LYS 1 24.359 6.983 2.366
147 H TYR 2 H TYR 2 16.190 5.355 6.293
148 HA TYR 2 HA TYR 2 14.260 4.614 4.193
149 HB2 TYR 2 HB2 TYR 2 12.730 4.353 6.320
150 HB3 TYR 2 HB3 TYR 2 13.834 3.065 5.849
151 HD1 TYR 2 HD1 TYR 2 15.799 2.563 7.173
152 HD2 TYR 2 HD2 TYR 2 13.176 5.721 8.287
153 HE1 TYR 2 HE1 TYR 2 16.852 2.646 9.394
154 HE2 TYR 2 HE2 TYR 2 14.222 5.814 10.511
155 HH TYR 2 HH TYR 2 17.089 4.603 11.246
156 H GLU 3 H GLU 3 14.873 6.835 6.885
157 HA GLU 3 HA GLU 3 12.639 8.433 6.758
158 HB2 GLU 3 HB2 GLU 3 14.185 10.299 7.519
159 HB3 GLU 3 HB3 GLU 3 14.184 8.840 8.499
160 HG2 GLU 3 HG2 GLU 3 16.182 8.344 6.692
161 HG3 GLU 3 HG3 GLU 3 16.336 10.076 6.980
162 H ILE 4 H ILE 4 15.653 8.845 4.909
163 HA ILE 4 HA ILE 4 14.783 11.077 3.425
164 HB ILE 4 HB ILE 4 16.798 9.046 2.477
165 HG12 ILE 4 HG12 ILE 4 17.579 9.531 4.635
166 HG13 ILE 4 HG13 ILE 4 18.438 10.684 3.620
167 HG21 ILE 4 HG21 ILE 4 17.828 11.093 1.463
168 HG22 ILE 4 HG22 ILE 4 16.263 10.638 0.791
169 HG23 ILE 4 HG23 ILE 4 16.377 11.976 1.934
170 HD11 ILE 4 HD11 ILE 4 16.713 12.377 4.218
171 HD12 ILE 4 HD12 ILE 4 16.050 11.212 5.365
172 HD13 ILE 4 HD13 ILE 4 17.694 11.816 5.572
173 H THR 5 H THR 5 13.829 7.851 3.285
174 HA THR 5 HA THR 5 13.119 7.930 0.455
175 HB THR 5 HB THR 5 12.237 5.653 2.137
176 HG1 THR 5 HG1 THR 5 14.898 6.476 1.900
177 HG21 THR 5 HG21 THR 5 13.639 5.870 -0.531
178 HG22 THR 5 HG22 THR 5 11.907 5.652 -0.280
179 HG23 THR 5 HG23 THR 5 13.033 4.380 0.191
180 H THR 6 H THR 6 11.707 8.368 3.575
181 HA THR 6 HA THR 6 8.989 8.183 2.504
182 HB THR 6 HB THR 6 8.300 7.672 4.573
183 HG1 THR 6 HG1 THR 6 10.061 9.477 5.858
184 HG21 THR 6 HG21 THR 6 10.587 6.504 4.322
185 HG22 THR 6 HG22 THR 6 9.849 6.559 5.924
186 HG23 THR 6 HG23 THR 6 11.151 7.676 5.512
187 H ILE 7 H ILE 7 11.243 10.496 3.914
188 HA ILE 7 HA ILE 7 9.403 12.663 4.026
189 HB ILE 7 HB ILE 7 11.285 14.072 4.489
190 HG12 ILE 7 HG12 ILE 7 12.964 11.769 3.476
191 HG13 ILE 7 HG13 ILE 7 12.813 13.367 2.754
192 HG21 ILE 7 HG21 ILE 7 12.427 11.831 5.907
193 HG22 ILE 7 HG22 ILE 7 11.521 13.210 6.525
194 HG23 ILE 7 HG23 ILE 7 10.665 11.784 5.942
195 HD11 ILE 7 HD11 ILE 7 13.704 14.091 5.151
196 HD12 ILE 7 HD12 ILE 7 14.403 12.473 5.074
197 HD13 ILE 7 HD13 ILE 7 14.779 13.657 3.822
198 H HIS 8 H HIS 8 11.711 11.516 1.627
199 HA HIS 8 HA HIS 8 11.396 13.783 -0.100
200 HB2 HIS 8 HB2 HIS 8 12.707 11.091 -0.385
201 HB3 HIS 8 HB3 HIS 8 12.542 12.169 -1.768
202 HD1 HIS 8 HD1 HIS 8 13.048 14.362 0.942
203 HD2 HIS 8 HD2 HIS 8 15.536 11.820 -1.204
204 HE1 HIS 8 HE1 HIS 8 15.382 15.209 1.345
205 H ASN 9 H ASN 9 9.730 10.804 0.399
206 HA ASN 9 HA ASN 9 8.291 11.073 -2.140
207 HB2 ASN 9 HB2 ASN 9 7.993 8.835 -2.106
208 HB3 ASN 9 HB3 ASN 9 9.265 8.842 -0.887
209 HD21 ASN 9 HD21 ASN 9 6.431 7.524 -1.538
210 HD22 ASN 9 HD22 ASN 9 5.777 7.340 0.052
211 H LEU 10 H LEU 10 8.034 12.082 1.002
212 HA LEU 10 HA LEU 10 5.183 11.755 1.312
213 HB2 LEU 10 HB2 LEU 10 6.296 11.723 3.345
214 HB3 LEU 10 HB3 LEU 10 7.360 13.055 2.895
215 HG LEU 10 HG LEU 10 5.445 14.606 3.117
216 HD11 LEU 10 HD11 LEU 10 3.979 12.275 4.333
217 HD12 LEU 10 HD12 LEU 10 3.705 12.856 2.691
218 HD13 LEU 10 HD13 LEU 10 3.378 13.911 4.065
219 HD21 LEU 10 HD21 LEU 10 5.203 13.752 5.749
220 HD22 LEU 10 HD22 LEU 10 6.406 14.871 5.106
221 HD23 LEU 10 HD23 LEU 10 6.777 13.151 5.232
222 H PHE 11 H PHE 11 7.421 14.295 0.363
223 HA PHE 11 HA PHE 11 5.488 16.386 0.324
224 HB2 PHE 11 HB2 PHE 11 8.287 16.147 -0.068
225 HB3 PHE 11 HB3 PHE 11 7.624 16.907 -1.512
226 HD1 PHE 11 HD1 PHE 11 6.540 17.192 2.032
227 HD2 PHE 11 HD2 PHE 11 8.224 19.137 -1.358
228 HE1 PHE 11 HE1 PHE 11 6.435 19.345 3.219
229 HE2 PHE 11 HE2 PHE 11 8.123 21.292 -0.177
230 HZ PHE 11 HZ PHE 11 7.229 21.399 2.115
231 H ARG 12 H ARG 12 5.843 13.704 -1.594
232 HA ARG 12 HA ARG 12 5.210 14.848 -4.143
233 HB2 ARG 12 HB2 ARG 12 5.052 11.995 -3.155
234 HB3 ARG 12 HB3 ARG 12 4.831 12.490 -4.828
235 HG2 ARG 12 HG2 ARG 12 7.344 13.043 -3.277
236 HG3 ARG 12 HG3 ARG 12 7.097 11.582 -4.235
237 HD2 ARG 12 HD2 ARG 12 6.588 13.110 -6.187
238 HD3 ARG 12 HD3 ARG 12 7.187 14.434 -5.188
239 HE ARG 12 HE ARG 12 9.065 12.306 -5.314
240 HH11 ARG 12 HH11 ARG 12 7.788 14.990 -7.126
241 HH12 ARG 12 HH12 ARG 12 9.231 15.216 -8.058
242 HH21 ARG 12 HH21 ARG 12 10.970 12.594 -6.535
243 HH22 ARG 12 HH22 ARG 12 11.040 13.852 -7.723
244 H LYS 13 H LYS 13 3.321 12.416 -2.368
245 HA LYS 13 HA LYS 13 0.892 13.950 -3.028
246 HB2 LYS 13 HB2 LYS 13 1.392 11.651 -4.201
247 HB3 LYS 13 HB3 LYS 13 0.825 10.978 -2.679
248 HG2 LYS 13 HG2 LYS 13 -1.317 11.944 -2.942
249 HG3 LYS 13 HG3 LYS 13 -0.772 12.954 -4.282
250 HD2 LYS 13 HD2 LYS 13 -0.552 9.986 -4.508
251 HD3 LYS 13 HD3 LYS 13 -2.126 10.754 -4.733
252 HE2 LYS 13 HE2 LYS 13 -1.294 12.086 -6.535
253 HE3 LYS 13 HE3 LYS 13 0.364 11.577 -6.217
254 HZ1 LYS 13 HZ1 LYS 13 -1.341 9.343 -6.661
255 HZ2 LYS 13 HZ2 LYS 13 0.083 9.780 -7.463
256 HZ3 LYS 13 HZ3 LYS 13 -1.402 10.415 -7.967
257 H LEU 14 H LEU 14 2.212 14.448 -0.673
258 HA LEU 14 HA LEU 14 1.704 13.005 1.575
259 HB2 LEU 14 HB2 LEU 14 1.177 15.465 2.528
260 HB3 LEU 14 HB3 LEU 14 2.798 14.864 2.189
261 HG LEU 14 HG LEU 14 2.766 16.003 0.023
262 HD11 LEU 14 HD11 LEU 14 0.457 15.964 -0.542
263 HD12 LEU 14 HD12 LEU 14 0.932 17.656 -0.396
264 HD13 LEU 14 HD13 LEU 14 0.024 16.880 0.901
265 HD21 LEU 14 HD21 LEU 14 3.167 17.120 2.459
266 HD22 LEU 14 HD22 LEU 14 1.945 18.203 1.791
267 HD23 LEU 14 HD23 LEU 14 3.461 17.942 0.926
268 H THR 15 H THR 15 -0.146 11.892 1.858
269 HA THR 15 HA THR 15 -2.705 13.292 1.553
270 HB THR 15 HB THR 15 -3.551 10.840 2.035
271 HG1 THR 15 HG1 THR 15 -2.074 9.314 1.811
272 HG21 THR 15 HG21 THR 15 -2.720 10.511 -0.585
273 HG22 THR 15 HG22 THR 15 -2.752 12.261 -0.372
274 HG23 THR 15 HG23 THR 15 -4.201 11.307 -0.054
275 H HIS 16 H HIS 16 -2.265 10.534 3.646
276 HA HIS 16 HA HIS 16 -2.789 12.252 5.981
277 HB2 HIS 16 HB2 HIS 16 -4.239 9.894 4.983
278 HB3 HIS 16 HB3 HIS 16 -3.872 9.849 6.705
279 HD1 HIS 16 HD1 HIS 16 -6.654 10.483 4.932
280 HD2 HIS 16 HD2 HIS 16 -4.497 12.931 7.504
281 HE1 HIS 16 HE1 HIS 16 -8.274 12.248 5.699
282 H ARG 17 H ARG 17 -2.299 8.760 5.833
283 HA ARG 17 HA ARG 17 0.225 9.119 7.313
284 HB2 ARG 17 HB2 ARG 17 -1.820 6.924 7.699
285 HB3 ARG 17 HB3 ARG 17 -0.300 7.083 8.569
286 HG2 ARG 17 HG2 ARG 17 -2.539 9.092 8.658
287 HG3 ARG 17 HG3 ARG 17 -2.261 7.834 9.864
288 HD2 ARG 17 HD2 ARG 17 -0.063 8.778 10.349
289 HD3 ARG 17 HD3 ARG 17 -0.319 10.021 9.126
290 HE ARG 17 HE ARG 17 -2.382 10.013 11.097
291 HH11 ARG 17 HH11 ARG 17 0.875 11.058 10.446
292 HH12 ARG 17 HH12 ARG 17 0.813 12.382 11.561
293 HH21 ARG 17 HH21 ARG 17 -2.476 11.753 12.569
294 HH22 ARG 17 HH22 ARG 17 -1.094 12.776 12.769
295 H LEU 18 H LEU 18 0.973 9.051 4.974
296 HA LEU 18 HA LEU 18 1.061 6.350 3.865
297 HB2 LEU 18 HB2 LEU 18 2.323 7.599 2.000
298 HB3 LEU 18 HB3 LEU 18 0.587 7.849 2.173
299 HG LEU 18 HG LEU 18 1.019 9.983 3.308
300 HD11 LEU 18 HD11 LEU 18 3.540 10.738 2.830
301 HD12 LEU 18 HD12 LEU 18 3.806 9.020 3.126
302 HD13 LEU 18 HD13 LEU 18 3.023 10.015 4.353
303 HD21 LEU 18 HD21 LEU 18 0.620 10.297 1.053
304 HD22 LEU 18 HD22 LEU 18 2.102 9.475 0.567
305 HD23 LEU 18 HD23 LEU 18 2.180 11.092 1.270
306 H PHE 19 H PHE 19 2.562 7.310 6.302
307 HA PHE 19 HA PHE 19 5.258 6.565 5.376
308 HB2 PHE 19 HB2 PHE 19 5.460 8.810 6.080
309 HB3 PHE 19 HB3 PHE 19 4.415 8.555 7.472
310 HD1 PHE 19 HD1 PHE 19 7.283 6.490 6.350
311 HD2 PHE 19 HD2 PHE 19 5.757 9.189 9.266
312 HE1 PHE 19 HE1 PHE 19 9.262 6.085 7.756
313 HE2 PHE 19 HE2 PHE 19 7.733 8.789 10.676
314 HZ PHE 19 HZ PHE 19 9.489 7.236 9.921
315 H ARG 20 H ARG 20 3.129 6.582 8.232
316 HA ARG 20 HA ARG 20 4.532 4.223 9.253
317 HB2 ARG 20 HB2 ARG 20 2.437 5.931 10.608
318 HB3 ARG 20 HB3 ARG 20 3.397 4.663 11.360
319 HG2 ARG 20 HG2 ARG 20 4.544 7.175 10.163
320 HG3 ARG 20 HG3 ARG 20 4.171 6.960 11.874
321 HD2 ARG 20 HD2 ARG 20 5.670 4.738 11.320
322 HD3 ARG 20 HD3 ARG 20 6.419 5.959 10.293
323 HE ARG 20 HE ARG 20 6.111 7.109 12.790
324 HH11 ARG 20 HH11 ARG 20 7.807 4.407 11.397
325 HH12 ARG 20 HH12 ARG 20 9.103 4.460 12.546
326 HH21 ARG 20 HH21 ARG 20 7.811 7.189 14.309
327 HH22 ARG 20 HH22 ARG 20 9.104 6.043 14.202
328 H ARG 21 H ARG 21 1.284 5.356 8.411
329 HA ARG 21 HA ARG 21 0.074 2.799 8.928
330 HB2 ARG 21 HB2 ARG 21 -0.970 5.222 8.961
331 HB3 ARG 21 HB3 ARG 21 -1.252 4.891 7.258
332 HG2 ARG 21 HG2 ARG 21 -3.041 3.688 7.748
333 HG3 ARG 21 HG3 ARG 21 -2.092 2.641 8.806
334 HD2 ARG 21 HD2 ARG 21 -2.336 4.825 10.372
335 HD3 ARG 21 HD3 ARG 21 -3.841 4.924 9.458
336 HE ARG 21 HE ARG 21 -3.192 3.035 11.501
337 HH11 ARG 21 HH11 ARG 21 -5.032 3.506 8.583
338 HH12 ARG 21 HH12 ARG 21 -6.217 2.307 8.982
339 HH21 ARG 21 HH21 ARG 21 -4.746 1.455 12.037
340 HH22 ARG 21 HH22 ARG 21 -6.054 1.142 10.948
341 H ASN 22 H ASN 22 2.079 3.813 6.551
342 HA ASN 22 HA ASN 22 0.866 1.994 4.575
343 HB2 ASN 22 HB2 ASN 22 2.072 4.695 4.244
344 HB3 ASN 22 HB3 ASN 22 2.386 3.511 2.980
345 HD21 ASN 22 HD21 ASN 22 -0.395 4.447 4.980
346 HD22 ASN 22 HD22 ASN 22 -1.507 4.588 3.664
347 H PHE 23 H PHE 23 3.973 3.490 5.486
348 HA PHE 23 HA PHE 23 5.334 1.035 4.627
349 HB2 PHE 23 HB2 PHE 23 6.354 3.835 5.118
350 HB3 PHE 23 HB3 PHE 23 7.414 2.463 4.812
351 HD1 PHE 23 HD1 PHE 23 4.988 4.774 3.365
352 HD2 PHE 23 HD2 PHE 23 7.533 1.445 2.621
353 HE1 PHE 23 HE1 PHE 23 4.734 5.126 0.943
354 HE2 PHE 23 HE2 PHE 23 7.285 1.793 0.198
355 HZ PHE 23 HZ PHE 23 5.885 3.635 -0.645
356 H GLY 24 H GLY 24 3.882 1.787 7.269
357 HA2 GLY 24 HA2 GLY 24 6.116 1.092 9.073
358 HA3 GLY 24 HA3 GLY 24 4.696 2.002 9.567
359 H TYR 25 H TYR 25 3.026 0.111 7.879
360 HA TYR 25 HA TYR 25 2.488 -1.754 10.001
361 HB2 TYR 25 HB2 TYR 25 1.085 -0.705 7.717
362 HB3 TYR 25 HB3 TYR 25 0.982 -2.463 7.724
363 HD1 TYR 25 HD1 TYR 25 1.007 0.021 10.514
364 HD2 TYR 25 HD2 TYR 25 -1.127 -3.045 8.477
365 HE1 TYR 25 HE1 TYR 25 -0.769 0.137 12.212
366 HE2 TYR 25 HE2 TYR 25 -2.909 -2.937 10.168
367 HH TYR 25 HH TYR 25 -3.322 -0.449 12.249
368 H THR 26 H THR 26 4.514 -1.738 7.314
369 HA THR 26 HA THR 26 4.463 -4.648 6.997
370 HB THR 26 HB THR 26 5.455 -2.395 5.338
371 HG1 THR 26 HG1 THR 26 4.599 -3.833 3.712
372 HG21 THR 26 HG21 THR 26 7.525 -3.597 5.662
373 HG22 THR 26 HG22 THR 26 6.913 -3.934 4.042
374 HG23 THR 26 HG23 THR 26 6.727 -5.132 5.322
375 H LEU 27 H LEU 27 6.863 -2.060 7.516
376 HA LEU 27 HA LEU 27 8.940 -3.877 8.232
377 HB2 LEU 27 HB2 LEU 27 8.816 -1.234 7.510
378 HB3 LEU 27 HB3 LEU 27 9.203 -1.142 9.227
379 HG LEU 27 HG LEU 27 10.806 -2.498 7.064
380 HD11 LEU 27 HD11 LEU 27 12.514 -0.835 8.182
381 HD12 LEU 27 HD12 LEU 27 11.040 0.030 8.615
382 HD13 LEU 27 HD13 LEU 27 11.404 -0.298 6.921
383 HD21 LEU 27 HD21 LEU 27 12.432 -2.935 8.920
384 HD22 LEU 27 HD22 LEU 27 10.957 -3.899 8.985
385 HD23 LEU 27 HD23 LEU 27 11.152 -2.511 10.057
386 H ARG 28 H ARG 28 6.198 -3.175 9.824
387 HA ARG 28 HA ARG 28 6.890 -2.528 12.430
388 HB2 ARG 28 HB2 ARG 28 4.571 -2.655 11.611
389 HB3 ARG 28 HB3 ARG 28 4.702 -4.406 11.521
390 HG2 ARG 28 HG2 ARG 28 5.406 -3.955 14.104
391 HG3 ARG 28 HG3 ARG 28 4.234 -2.665 13.826
392 HD2 ARG 28 HD2 ARG 28 2.695 -4.220 14.304
393 HD3 ARG 28 HD3 ARG 28 3.003 -4.811 12.672
394 HE ARG 28 HE ARG 28 4.814 -5.943 14.551
395 HH11 ARG 28 HH11 ARG 28 1.550 -6.148 13.357
396 HH12 ARG 28 HH12 ARG 28 1.364 -7.820 13.774
397 HH21 ARG 28 HH21 ARG 28 4.581 -8.144 15.104
398 HH22 ARG 28 HH22 ARG 28 3.089 -8.954 14.767
Start of MODEL 6
1 H1 VAL 1 H VAL 1 -0.338 1.593 -1.725
2 HA VAL 1 HA VAL 1 1.204 1.250 -3.366
3 HB VAL 1 HB VAL 1 1.890 3.170 -4.727
4 HG11 VAL 1 HG11 VAL 1 -0.149 2.440 -5.470
5 HG12 VAL 1 HG12 VAL 1 -0.957 2.790 -3.940
6 HG13 VAL 1 HG13 VAL 1 -0.551 4.104 -5.045
7 HG21 VAL 1 HG21 VAL 1 0.603 4.787 -2.533
8 HG22 VAL 1 HG22 VAL 1 2.290 4.830 -3.047
9 HG23 VAL 1 HG23 VAL 1 1.026 5.433 -4.118
10 H ALA 2 H ALA 2 3.386 0.940 -3.579
11 HA ALA 2 HA ALA 2 5.099 2.305 -1.604
12 HB1 ALA 2 HB1 ALA 2 5.087 0.171 -0.769
13 HB2 ALA 2 HB2 ALA 2 4.905 -0.570 -2.359
14 HB3 ALA 2 HB3 ALA 2 6.467 0.081 -1.863
15 H ARG 3 H ARG 3 5.365 3.844 -3.442
16 HA ARG 3 HA ARG 3 7.345 2.852 -5.386
17 HB2 ARG 3 HB2 ARG 3 6.633 5.033 -6.624
18 HB3 ARG 3 HB3 ARG 3 5.606 3.609 -6.713
19 HG2 ARG 3 HG2 ARG 3 4.046 4.504 -5.208
20 HG3 ARG 3 HG3 ARG 3 5.162 5.762 -4.674
21 HD2 ARG 3 HD2 ARG 3 3.668 6.875 -6.089
22 HD3 ARG 3 HD3 ARG 3 5.093 6.596 -7.088
23 HE ARG 3 HE ARG 3 3.360 4.447 -7.463
24 HH11 ARG 3 HH11 ARG 3 3.458 7.875 -8.065
25 HH12 ARG 3 HH12 ARG 3 2.430 7.791 -9.457
26 HH21 ARG 3 HH21 ARG 3 2.005 4.324 -9.294
27 HH22 ARG 3 HH22 ARG 3 1.603 5.772 -10.154
28 H GLY 4 H GLY 4 6.760 4.995 -2.781
29 HA2 GLY 4 HA2 GLY 4 8.808 6.903 -3.384
30 HA3 GLY 4 HA3 GLY 4 7.992 6.702 -1.840
31 H TRP 5 H TRP 5 8.917 3.711 -2.304
32 HA TRP 5 HA TRP 5 11.616 4.135 -1.197
33 HB2 TRP 5 HB2 TRP 5 9.373 2.400 -0.297
34 HB3 TRP 5 HB3 TRP 5 11.004 1.749 -0.153
35 HD1 TRP 5 HD1 TRP 5 10.770 5.466 0.350
36 HE1 TRP 5 HE1 TRP 5 11.049 6.019 2.848
37 HE3 TRP 5 HE3 TRP 5 10.435 0.740 2.269
38 HZ2 TRP 5 HZ2 TRP 5 11.118 4.635 5.307
39 HZ3 TRP 5 HZ3 TRP 5 10.618 0.440 4.704
40 HH2 TRP 5 HH2 TRP 5 10.953 2.348 6.190
41 H LYS 6 H LYS 6 9.848 2.860 -3.725
42 HA LYS 6 HA LYS 6 11.982 0.938 -4.387
43 HB2 LYS 6 HB2 LYS 6 9.977 -0.296 -4.219
44 HB3 LYS 6 HB3 LYS 6 9.044 0.947 -5.042
45 HG2 LYS 6 HG2 LYS 6 11.190 -0.104 -6.691
46 HG3 LYS 6 HG3 LYS 6 10.053 -1.350 -6.170
47 HD2 LYS 6 HD2 LYS 6 8.705 1.076 -7.021
48 HD3 LYS 6 HD3 LYS 6 9.726 0.402 -8.294
49 HE2 LYS 6 HE2 LYS 6 8.413 -1.408 -8.560
50 HE3 LYS 6 HE3 LYS 6 8.107 -1.565 -6.830
51 HZ1 LYS 6 HZ1 LYS 6 6.494 0.215 -6.978
52 HZ2 LYS 6 HZ2 LYS 6 6.094 -1.020 -8.063
53 HZ3 LYS 6 HZ3 LYS 6 6.805 0.406 -8.630
54 H ARG 7 H ARG 7 9.737 3.316 -5.774
55 HA ARG 7 HA ARG 7 11.251 3.422 -8.244
56 HB2 ARG 7 HB2 ARG 7 8.869 3.590 -8.455
57 HB3 ARG 7 HB3 ARG 7 8.802 4.896 -7.280
58 HG2 ARG 7 HG2 ARG 7 10.548 5.638 -9.416
59 HG3 ARG 7 HG3 ARG 7 9.006 5.087 -10.074
60 HD2 ARG 7 HD2 ARG 7 7.879 6.851 -9.245
61 HD3 ARG 7 HD3 ARG 7 8.795 6.855 -7.738
62 HE ARG 7 HE ARG 7 10.542 7.759 -9.653
63 HH11 ARG 7 HH11 ARG 7 7.427 8.733 -8.441
64 HH12 ARG 7 HH12 ARG 7 7.682 10.416 -8.764
65 HH21 ARG 7 HH21 ARG 7 10.890 9.972 -10.082
66 HH22 ARG 7 HH22 ARG 7 9.652 11.119 -9.699
67 H LYS 8 H LYS 8 10.345 5.738 -5.689
68 HA LYS 8 HA LYS 8 11.766 7.935 -6.522
69 HB2 LYS 8 HB2 LYS 8 10.942 6.900 -3.852
70 HB3 LYS 8 HB3 LYS 8 12.090 8.232 -3.893
71 HG2 LYS 8 HG2 LYS 8 9.374 8.221 -5.193
72 HG3 LYS 8 HG3 LYS 8 9.791 9.018 -3.674
73 HD2 LYS 8 HD2 LYS 8 11.608 9.774 -5.790
74 HD3 LYS 8 HD3 LYS 8 9.934 10.104 -6.238
75 HE2 LYS 8 HE2 LYS 8 10.451 10.876 -3.506
76 HE3 LYS 8 HE3 LYS 8 11.590 11.651 -4.606
77 HZ1 LYS 8 HZ1 LYS 8 8.727 12.034 -4.334
78 HZ2 LYS 8 HZ2 LYS 8 9.306 12.006 -5.923
79 HZ3 LYS 8 HZ3 LYS 8 9.925 13.126 -4.815
80 H CYS 9 H CYS 9 13.018 5.964 -3.843
81 HA CYS 9 HA CYS 9 15.706 6.243 -5.015
82 HB2 CYS 9 HB2 CYS 9 14.838 7.308 -2.616
83 HB3 CYS 9 HB3 CYS 9 15.638 5.821 -2.122
84 HG CYS 9 HG CYS 9 17.228 7.981 -4.217
85 HA PRO 10 HA PRO 10 15.437 1.787 -5.033
86 HB2 PRO 10 HB2 PRO 10 17.863 1.385 -6.182
87 HB3 PRO 10 HB3 PRO 10 16.438 1.885 -7.099
88 HG2 PRO 10 HG2 PRO 10 18.705 3.545 -6.068
89 HG3 PRO 10 HG3 PRO 10 17.897 3.611 -7.645
90 HD2 PRO 10 HD2 PRO 10 17.347 5.360 -5.652
91 HD3 PRO 10 HD3 PRO 10 16.124 4.835 -6.826
92 H LEU 11 H LEU 11 16.275 3.221 -2.623
93 HA LEU 11 HA LEU 11 18.646 1.762 -1.746
94 HB2 LEU 11 HB2 LEU 11 16.989 3.849 -0.337
95 HB3 LEU 11 HB3 LEU 11 18.481 3.140 0.278
96 HG LEU 11 HG LEU 11 18.197 4.919 -2.142
97 HD11 LEU 11 HD11 LEU 11 18.719 6.634 -0.827
98 HD12 LEU 11 HD12 LEU 11 20.013 5.734 -0.037
99 HD13 LEU 11 HD13 LEU 11 18.354 5.578 0.538
100 HD21 LEU 11 HD21 LEU 11 19.910 3.364 -2.648
101 HD22 LEU 11 HD22 LEU 11 20.564 3.444 -1.013
102 HD23 LEU 11 HD23 LEU 11 20.717 4.830 -2.092
103 H PHE 12 H PHE 12 15.189 1.939 -1.188
104 HA PHE 12 HA PHE 12 15.403 -0.239 0.777
105 HB2 PHE 12 HB2 PHE 12 14.004 2.112 0.954
106 HB3 PHE 12 HB3 PHE 12 12.764 0.995 0.395
107 HD1 PHE 12 HD1 PHE 12 14.474 2.261 3.206
108 HD2 PHE 12 HD2 PHE 12 12.578 -1.242 1.704
109 HE1 PHE 12 HE1 PHE 12 14.194 1.431 5.505
110 HE2 PHE 12 HE2 PHE 12 12.295 -2.078 4.001
111 HZ PHE 12 HZ PHE 12 13.102 -0.741 5.905
112 H GLY 13 H GLY 13 14.449 0.505 -2.414
113 HA2 GLY 13 HA2 GLY 13 12.527 -1.633 -2.681
114 HA3 GLY 13 HA3 GLY 13 13.158 -0.626 -3.975
115 H LYS 14 H LYS 14 14.762 -1.388 -5.249
116 HA LYS 14 HA LYS 14 15.336 -4.172 -5.175
117 HB2 LYS 14 HB2 LYS 14 16.809 -3.694 -7.098
118 HB3 LYS 14 HB3 LYS 14 15.208 -2.990 -7.292
119 HG2 LYS 14 HG2 LYS 14 16.500 -1.244 -7.972
120 HG3 LYS 14 HG3 LYS 14 16.373 -0.875 -6.251
121 HD2 LYS 14 HD2 LYS 14 18.592 -0.904 -6.122
122 HD3 LYS 14 HD3 LYS 14 18.564 -2.620 -6.537
123 HE2 LYS 14 HE2 LYS 14 18.845 -2.171 -8.834
124 HE3 LYS 14 HE3 LYS 14 18.463 -0.463 -8.626
125 HZ1 LYS 14 HZ1 LYS 14 20.967 -1.631 -8.623
126 HZ2 LYS 14 HZ2 LYS 14 20.679 -1.177 -7.020
127 HZ3 LYS 14 HZ3 LYS 14 20.588 -0.024 -8.254
128 H GLY 15 H GLY 15 16.952 -1.326 -3.991
129 HA2 GLY 15 HA2 GLY 15 19.542 -2.461 -3.691
130 HA3 GLY 15 HA3 GLY 15 18.940 -1.026 -2.873
131 H GLY 16 H GLY 16 16.805 -2.094 -1.454
132 HA2 GLY 16 HA2 GLY 16 17.998 -2.987 0.878
133 HA3 GLY 16 HA3 GLY 16 16.301 -3.218 0.485
134 H1 LYS 1 H LYS 1 18.468 4.896 6.015
135 HA LYS 1 HA LYS 1 18.380 7.011 3.976
136 HB2 LYS 1 HB2 LYS 1 19.588 4.390 4.088
137 HB3 LYS 1 HB3 LYS 1 18.501 4.506 2.710
138 HG2 LYS 1 HG2 LYS 1 20.583 5.171 1.891
139 HG3 LYS 1 HG3 LYS 1 19.703 6.679 2.151
140 HD2 LYS 1 HD2 LYS 1 20.867 7.041 4.240
141 HD3 LYS 1 HD3 LYS 1 21.674 5.477 4.095
142 HE2 LYS 1 HE2 LYS 1 21.968 7.719 2.102
143 HE3 LYS 1 HE3 LYS 1 23.076 7.447 3.446
144 HZ1 LYS 1 HZ1 LYS 1 24.086 6.357 1.697
145 HZ2 LYS 1 HZ2 LYS 1 22.630 5.786 1.052
146 HZ3 LYS 1 HZ3 LYS 1 23.259 5.094 2.462
147 H TYR 2 H TYR 2 16.158 6.002 5.764
148 HA TYR 2 HA TYR 2 14.271 5.275 3.619
149 HB2 TYR 2 HB2 TYR 2 13.038 4.522 5.977
150 HB3 TYR 2 HB3 TYR 2 13.850 3.444 4.847
151 HD1 TYR 2 HD1 TYR 2 13.994 5.033 8.111
152 HD2 TYR 2 HD2 TYR 2 16.166 2.702 5.291
153 HE1 TYR 2 HE1 TYR 2 15.597 4.410 9.869
154 HE2 TYR 2 HE2 TYR 2 17.775 2.072 7.043
155 HH TYR 2 HH TYR 2 17.672 3.518 10.237
156 H GLU 3 H GLU 3 14.542 6.891 6.778
157 HA GLU 3 HA GLU 3 12.088 8.155 6.849
158 HB2 GLU 3 HB2 GLU 3 13.232 9.891 8.255
159 HB3 GLU 3 HB3 GLU 3 13.506 8.232 8.770
160 HG2 GLU 3 HG2 GLU 3 15.678 8.305 7.518
161 HG3 GLU 3 HG3 GLU 3 15.406 10.033 7.298
162 H ILE 4 H ILE 4 15.113 9.343 5.411
163 HA ILE 4 HA ILE 4 13.942 11.757 4.435
164 HB ILE 4 HB ILE 4 16.007 12.263 3.494
165 HG12 ILE 4 HG12 ILE 4 16.215 10.330 2.026
166 HG13 ILE 4 HG13 ILE 4 17.714 10.567 2.917
167 HG21 ILE 4 HG21 ILE 4 16.749 10.331 5.683
168 HG22 ILE 4 HG22 ILE 4 17.648 11.755 5.163
169 HG23 ILE 4 HG23 ILE 4 16.087 11.941 5.960
170 HD11 ILE 4 HD11 ILE 4 15.584 8.526 3.501
171 HD12 ILE 4 HD12 ILE 4 17.180 8.227 2.814
172 HD13 ILE 4 HD13 ILE 4 17.028 8.793 4.478
173 H THR 5 H THR 5 13.382 8.680 3.537
174 HA THR 5 HA THR 5 13.127 9.310 0.674
175 HB THR 5 HB THR 5 12.561 6.546 1.425
176 HG1 THR 5 HG1 THR 5 14.915 6.176 1.761
177 HG21 THR 5 HG21 THR 5 13.933 8.079 -0.667
178 HG22 THR 5 HG22 THR 5 12.993 6.591 -0.784
179 HG23 THR 5 HG23 THR 5 14.685 6.529 -0.291
180 H THR 6 H THR 6 11.361 8.754 3.556
181 HA THR 6 HA THR 6 8.856 8.595 2.009
182 HB THR 6 HB THR 6 8.810 6.591 3.154
183 HG1 THR 6 HG1 THR 6 7.751 8.270 5.188
184 HG21 THR 6 HG21 THR 6 10.619 6.378 4.509
185 HG22 THR 6 HG22 THR 6 9.440 6.755 5.765
186 HG23 THR 6 HG23 THR 6 10.484 8.025 5.125
187 H ILE 7 H ILE 7 10.730 10.488 4.040
188 HA ILE 7 HA ILE 7 8.402 11.970 5.054
189 HB ILE 7 HB ILE 7 11.284 12.165 5.934
190 HG12 ILE 7 HG12 ILE 7 8.932 10.921 7.371
191 HG13 ILE 7 HG13 ILE 7 10.152 10.004 6.494
192 HG21 ILE 7 HG21 ILE 7 10.629 14.135 6.751
193 HG22 ILE 7 HG22 ILE 7 8.928 13.792 6.438
194 HG23 ILE 7 HG23 ILE 7 9.687 13.208 7.918
195 HD11 ILE 7 HD11 ILE 7 11.629 11.591 8.199
196 HD12 ILE 7 HD12 ILE 7 10.228 11.119 9.161
197 HD13 ILE 7 HD13 ILE 7 11.243 9.884 8.419
198 H HIS 8 H HIS 8 10.837 12.049 2.710
199 HA HIS 8 HA HIS 8 10.394 14.932 2.289
200 HB2 HIS 8 HB2 HIS 8 12.858 13.488 2.582
201 HB3 HIS 8 HB3 HIS 8 12.771 14.168 0.959
202 HD1 HIS 8 HD1 HIS 8 14.020 16.293 0.942
203 HD2 HIS 8 HD2 HIS 8 11.866 15.806 4.462
204 HE1 HIS 8 HE1 HIS 8 14.408 18.396 2.264
205 H ASN 9 H ASN 9 9.666 11.955 1.157
206 HA ASN 9 HA ASN 9 9.955 12.518 -1.675
207 HB2 ASN 9 HB2 ASN 9 10.280 10.260 -1.348
208 HB3 ASN 9 HB3 ASN 9 9.100 10.169 -0.045
209 HD21 ASN 9 HD21 ASN 9 7.632 8.746 -0.649
210 HD22 ASN 9 HD22 ASN 9 6.816 8.719 -2.172
211 H LEU 10 H LEU 10 7.213 11.686 0.454
212 HA LEU 10 HA LEU 10 5.508 13.373 -1.256
213 HB2 LEU 10 HB2 LEU 10 3.768 11.859 -1.147
214 HB3 LEU 10 HB3 LEU 10 5.181 10.817 -1.303
215 HG LEU 10 HG LEU 10 3.779 11.418 1.299
216 HD11 LEU 10 HD11 LEU 10 3.077 8.984 1.050
217 HD12 LEU 10 HD12 LEU 10 3.489 9.157 -0.655
218 HD13 LEU 10 HD13 LEU 10 2.232 10.170 0.055
219 HD21 LEU 10 HD21 LEU 10 6.202 9.920 0.531
220 HD22 LEU 10 HD22 LEU 10 5.130 9.129 1.687
221 HD23 LEU 10 HD23 LEU 10 5.795 10.724 2.047
222 H PHE 11 H PHE 11 6.854 13.020 1.752
223 HA PHE 11 HA PHE 11 4.650 13.978 3.335
224 HB2 PHE 11 HB2 PHE 11 7.260 12.894 3.825
225 HB3 PHE 11 HB3 PHE 11 7.096 14.415 4.697
226 HD1 PHE 11 HD1 PHE 11 6.996 13.606 6.903
227 HD2 PHE 11 HD2 PHE 11 4.365 12.044 3.945
228 HE1 PHE 11 HE1 PHE 11 5.709 12.459 8.658
229 HE2 PHE 11 HE2 PHE 11 3.072 10.896 5.695
230 HZ PHE 11 HZ PHE 11 3.744 11.104 8.055
231 H ARG 12 H ARG 12 6.591 15.426 1.105
232 HA ARG 12 HA ARG 12 7.154 17.903 2.419
233 HB2 ARG 12 HB2 ARG 12 7.864 18.690 0.254
234 HB3 ARG 12 HB3 ARG 12 8.452 17.050 0.479
235 HG2 ARG 12 HG2 ARG 12 6.426 16.290 -0.837
236 HG3 ARG 12 HG3 ARG 12 6.188 17.989 -1.253
237 HD2 ARG 12 HD2 ARG 12 8.930 17.232 -1.670
238 HD3 ARG 12 HD3 ARG 12 7.855 16.125 -2.525
239 HE ARG 12 HE ARG 12 6.985 18.720 -3.043
240 HH11 ARG 12 HH11 ARG 12 9.758 16.710 -3.667
241 HH12 ARG 12 HH12 ARG 12 10.166 17.507 -5.150
242 HH21 ARG 12 HH21 ARG 12 7.512 19.779 -4.993
243 HH22 ARG 12 HH22 ARG 12 8.888 19.253 -5.903
244 H LYS 13 H LYS 13 4.322 16.541 1.330
245 HA LYS 13 HA LYS 13 3.071 19.188 0.987
246 HB2 LYS 13 HB2 LYS 13 2.699 16.632 -0.487
247 HB3 LYS 13 HB3 LYS 13 1.265 17.609 -0.195
248 HG2 LYS 13 HG2 LYS 13 3.129 19.430 -1.116
249 HG3 LYS 13 HG3 LYS 13 3.417 17.989 -2.093
250 HD2 LYS 13 HD2 LYS 13 0.983 17.914 -2.596
251 HD3 LYS 13 HD3 LYS 13 0.797 19.441 -1.730
252 HE2 LYS 13 HE2 LYS 13 2.457 18.955 -4.201
253 HE3 LYS 13 HE3 LYS 13 0.945 19.857 -4.108
254 HZ1 LYS 13 HZ1 LYS 13 3.618 20.703 -3.492
255 HZ2 LYS 13 HZ2 LYS 13 2.514 21.076 -2.265
256 HZ3 LYS 13 HZ3 LYS 13 2.245 21.629 -3.841
257 H LEU 14 H LEU 14 1.789 15.914 1.515
258 HA LEU 14 HA LEU 14 0.278 16.974 3.806
259 HB2 LEU 14 HB2 LEU 14 -0.262 14.826 1.804
260 HB3 LEU 14 HB3 LEU 14 -1.015 14.738 3.396
261 HG LEU 14 HG LEU 14 -1.359 17.332 2.102
262 HD11 LEU 14 HD11 LEU 14 -2.282 14.826 0.737
263 HD12 LEU 14 HD12 LEU 14 -1.487 16.239 0.043
264 HD13 LEU 14 HD13 LEU 14 -3.164 16.345 0.579
265 HD21 LEU 14 HD21 LEU 14 -3.519 17.163 2.980
266 HD22 LEU 14 HD22 LEU 14 -2.505 16.333 4.160
267 HD23 LEU 14 HD23 LEU 14 -3.467 15.400 3.013
268 H THR 15 H THR 15 1.298 16.563 5.656
269 HA THR 15 HA THR 15 2.760 14.042 5.968
270 HB THR 15 HB THR 15 3.446 15.203 8.200
271 HG1 THR 15 HG1 THR 15 2.148 16.982 8.224
272 HG21 THR 15 HG21 THR 15 4.538 15.132 5.619
273 HG22 THR 15 HG22 THR 15 5.388 15.446 7.132
274 HG23 THR 15 HG23 THR 15 4.752 16.789 6.183
275 H HIS 16 H HIS 16 1.317 12.486 6.509
276 HA HIS 16 HA HIS 16 -0.332 12.974 8.902
277 HB2 HIS 16 HB2 HIS 16 -1.740 12.767 6.904
278 HB3 HIS 16 HB3 HIS 16 -0.997 11.214 6.532
279 HD1 HIS 16 HD1 HIS 16 -3.492 10.282 6.658
280 HD2 HIS 16 HD2 HIS 16 -1.874 11.615 10.245
281 HE1 HIS 16 HE1 HIS 16 -4.967 9.326 8.456
282 H ARG 17 H ARG 17 -0.308 9.866 7.427
283 HA ARG 17 HA ARG 17 1.570 8.877 9.468
284 HB2 ARG 17 HB2 ARG 17 0.174 6.972 9.884
285 HB3 ARG 17 HB3 ARG 17 -0.818 8.415 10.051
286 HG2 ARG 17 HG2 ARG 17 -1.564 8.019 7.668
287 HG3 ARG 17 HG3 ARG 17 -0.786 6.440 7.790
288 HD2 ARG 17 HD2 ARG 17 -2.215 6.280 9.994
289 HD3 ARG 17 HD3 ARG 17 -3.209 7.483 9.174
290 HE ARG 17 HE ARG 17 -3.087 4.707 8.599
291 HH11 ARG 17 HH11 ARG 17 -3.435 7.828 7.094
292 HH12 ARG 17 HH12 ARG 17 -4.326 7.220 5.739
293 HH21 ARG 17 HH21 ARG 17 -4.259 3.895 6.818
294 HH22 ARG 17 HH22 ARG 17 -4.796 4.983 5.583
295 H LEU 18 H LEU 18 2.103 9.530 6.711
296 HA LEU 18 HA LEU 18 2.357 6.940 5.390
297 HB2 LEU 18 HB2 LEU 18 3.352 9.542 4.289
298 HB3 LEU 18 HB3 LEU 18 2.831 8.099 3.422
299 HG LEU 18 HG LEU 18 0.882 9.742 5.003
300 HD11 LEU 18 HD11 LEU 18 0.836 11.396 3.520
301 HD12 LEU 18 HD12 LEU 18 0.855 10.274 2.160
302 HD13 LEU 18 HD13 LEU 18 2.371 10.779 2.907
303 HD21 LEU 18 HD21 LEU 18 0.799 7.438 3.248
304 HD22 LEU 18 HD22 LEU 18 -0.277 8.723 2.701
305 HD23 LEU 18 HD23 LEU 18 -0.436 8.076 4.334
306 H PHE 19 H PHE 19 3.913 7.698 7.805
307 HA PHE 19 HA PHE 19 6.627 7.547 6.673
308 HB2 PHE 19 HB2 PHE 19 6.369 9.518 8.045
309 HB3 PHE 19 HB3 PHE 19 5.691 8.565 9.360
310 HD1 PHE 19 HD1 PHE 19 8.568 7.472 7.358
311 HD2 PHE 19 HD2 PHE 19 7.279 9.249 11.004
312 HE1 PHE 19 HE1 PHE 19 10.823 7.175 8.297
313 HE2 PHE 19 HE2 PHE 19 9.531 8.955 11.949
314 HZ PHE 19 HZ PHE 19 11.308 7.917 10.595
315 H ARG 20 H ARG 20 4.630 6.372 9.373
316 HA ARG 20 HA ARG 20 6.305 3.948 9.438
317 HB2 ARG 20 HB2 ARG 20 5.379 3.736 11.819
318 HB3 ARG 20 HB3 ARG 20 6.594 4.973 11.528
319 HG2 ARG 20 HG2 ARG 20 5.209 6.609 12.123
320 HG3 ARG 20 HG3 ARG 20 3.896 5.964 11.137
321 HD2 ARG 20 HD2 ARG 20 3.112 4.602 12.852
322 HD3 ARG 20 HD3 ARG 20 4.645 4.655 13.723
323 HE ARG 20 HE ARG 20 3.509 7.239 13.586
324 HH11 ARG 20 HH11 ARG 20 3.117 4.164 15.170
325 HH12 ARG 20 HH12 ARG 20 2.383 4.840 16.587
326 HH21 ARG 20 HH21 ARG 20 2.544 8.141 15.445
327 HH22 ARG 20 HH22 ARG 20 2.057 7.102 16.741
328 H ARG 21 H ARG 21 3.030 5.230 9.556
329 HA ARG 21 HA ARG 21 1.761 2.680 9.794
330 HB2 ARG 21 HB2 ARG 21 0.906 5.180 10.242
331 HB3 ARG 21 HB3 ARG 21 0.290 4.973 8.608
332 HG2 ARG 21 HG2 ARG 21 -1.443 3.852 9.398
333 HG3 ARG 21 HG3 ARG 21 -0.358 2.642 10.085
334 HD2 ARG 21 HD2 ARG 21 -0.118 4.000 12.103
335 HD3 ARG 21 HD3 ARG 21 -1.189 5.219 11.413
336 HE ARG 21 HE ARG 21 -2.497 2.728 11.440
337 HH11 ARG 21 HH11 ARG 21 -1.397 5.224 13.603
338 HH12 ARG 21 HH12 ARG 21 -2.612 4.904 14.797
339 HH21 ARG 21 HH21 ARG 21 -4.100 2.298 13.005
340 HH22 ARG 21 HH22 ARG 21 -4.148 3.239 14.456
341 H ASN 22 H ASN 22 3.385 4.140 7.282
342 HA ASN 22 HA ASN 22 1.924 2.529 5.296
343 HB2 ASN 22 HB2 ASN 22 1.655 5.011 4.994
344 HB3 ASN 22 HB3 ASN 22 3.393 5.108 4.721
345 HD21 ASN 22 HD21 ASN 22 0.359 3.909 3.483
346 HD22 ASN 22 HD22 ASN 22 0.897 3.661 1.860
347 H PHE 23 H PHE 23 5.063 4.153 5.793
348 HA PHE 23 HA PHE 23 6.370 1.952 4.369
349 HB2 PHE 23 HB2 PHE 23 7.257 4.736 5.108
350 HB3 PHE 23 HB3 PHE 23 8.393 3.519 4.532
351 HD1 PHE 23 HD1 PHE 23 5.843 5.895 3.622
352 HD2 PHE 23 HD2 PHE 23 8.119 2.572 2.246
353 HE1 PHE 23 HE1 PHE 23 5.277 6.474 1.299
354 HE2 PHE 23 HE2 PHE 23 7.558 3.147 -0.080
355 HZ PHE 23 HZ PHE 23 6.135 5.100 -0.556
356 H GLY 24 H GLY 24 5.364 2.147 7.297
357 HA2 GLY 24 HA2 GLY 24 7.910 1.452 8.611
358 HA3 GLY 24 HA3 GLY 24 6.462 1.994 9.446
359 H TYR 25 H TYR 25 5.013 0.109 7.428
360 HA TYR 25 HA TYR 25 4.890 -2.110 9.248
361 HB2 TYR 25 HB2 TYR 25 3.283 -1.050 7.096
362 HB3 TYR 25 HB3 TYR 25 3.496 -2.786 6.904
363 HD1 TYR 25 HD1 TYR 25 2.202 -0.147 9.129
364 HD2 TYR 25 HD2 TYR 25 2.452 -4.332 8.403
365 HE1 TYR 25 HE1 TYR 25 0.456 -0.538 10.817
366 HE2 TYR 25 HE2 TYR 25 0.706 -4.735 10.088
367 HH TYR 25 HH TYR 25 -1.057 -3.612 11.216
368 H THR 26 H THR 26 6.755 -1.333 6.527
369 HA THR 26 HA THR 26 7.186 -4.030 5.606
370 HB THR 26 HB THR 26 8.151 -1.340 4.824
371 HG1 THR 26 HG1 THR 26 6.917 -1.966 3.232
372 HG21 THR 26 HG21 THR 26 10.285 -2.410 5.168
373 HG22 THR 26 HG22 THR 26 9.963 -2.330 3.437
374 HG23 THR 26 HG23 THR 26 9.745 -3.849 4.305
375 H LEU 27 H LEU 27 9.209 -1.591 7.241
376 HA LEU 27 HA LEU 27 11.348 -3.408 7.728
377 HB2 LEU 27 HB2 LEU 27 11.035 -0.689 7.823
378 HB3 LEU 27 HB3 LEU 27 11.150 -1.113 9.529
379 HG LEU 27 HG LEU 27 13.201 -1.950 7.489
380 HD11 LEU 27 HD11 LEU 27 14.486 -0.068 7.955
381 HD12 LEU 27 HD12 LEU 27 13.535 0.349 9.380
382 HD13 LEU 27 HD13 LEU 27 12.856 0.581 7.770
383 HD21 LEU 27 HD21 LEU 27 13.314 -3.297 9.431
384 HD22 LEU 27 HD22 LEU 27 13.098 -1.908 10.496
385 HD23 LEU 27 HD23 LEU 27 14.596 -2.096 9.585
386 H ARG 28 H ARG 28 8.340 -3.387 8.980
387 HA ARG 28 HA ARG 28 8.639 -3.593 11.742
388 HB2 ARG 28 HB2 ARG 28 6.497 -3.561 10.280
389 HB3 ARG 28 HB3 ARG 28 6.698 -5.308 10.222
390 HG2 ARG 28 HG2 ARG 28 6.790 -4.034 12.891
391 HG3 ARG 28 HG3 ARG 28 5.229 -4.080 12.068
392 HD2 ARG 28 HD2 ARG 28 4.978 -6.212 12.632
393 HD3 ARG 28 HD3 ARG 28 6.466 -6.623 11.782
394 HE ARG 28 HE ARG 28 7.174 -5.559 14.256
395 HH11 ARG 28 HH11 ARG 28 5.513 -8.339 12.978
396 HH12 ARG 28 HH12 ARG 28 5.945 -9.369 14.302
397 HH21 ARG 28 HH21 ARG 28 7.750 -6.906 16.006
398 HH22 ARG 28 HH22 ARG 28 7.216 -8.553 16.024
Start of MODEL 7
1 H1 VAL 1 H VAL 1 1.843 1.484 -0.262
2 HA VAL 1 HA VAL 1 2.153 -0.469 -2.057
3 HB VAL 1 HB VAL 1 2.633 1.998 -3.697
4 HG11 VAL 1 HG11 VAL 1 2.274 -0.931 -4.294
5 HG12 VAL 1 HG12 VAL 1 2.298 0.317 -5.543
6 HG13 VAL 1 HG13 VAL 1 3.717 0.056 -4.527
7 HG21 VAL 1 HG21 VAL 1 0.430 1.447 -4.820
8 HG22 VAL 1 HG22 VAL 1 0.057 0.474 -3.397
9 HG23 VAL 1 HG23 VAL 1 0.325 2.208 -3.232
10 H ALA 2 H ALA 2 4.364 -0.765 -2.878
11 HA ALA 2 HA ALA 2 6.279 0.664 -1.177
12 HB1 ALA 2 HB1 ALA 2 6.089 -1.854 -1.102
13 HB2 ALA 2 HB2 ALA 2 6.793 -1.867 -2.719
14 HB3 ALA 2 HB3 ALA 2 7.710 -1.208 -1.364
15 H ARG 3 H ARG 3 5.873 2.436 -2.895
16 HA ARG 3 HA ARG 3 7.842 2.088 -5.060
17 HB2 ARG 3 HB2 ARG 3 5.957 4.240 -5.528
18 HB3 ARG 3 HB3 ARG 3 6.390 2.888 -6.564
19 HG2 ARG 3 HG2 ARG 3 4.790 1.467 -5.424
20 HG3 ARG 3 HG3 ARG 3 4.387 2.782 -4.318
21 HD2 ARG 3 HD2 ARG 3 4.096 3.858 -6.878
22 HD3 ARG 3 HD3 ARG 3 3.399 2.241 -6.975
23 HE ARG 3 HE ARG 3 1.675 2.942 -5.642
24 HH11 ARG 3 HH11 ARG 3 4.282 5.242 -5.444
25 HH12 ARG 3 HH12 ARG 3 3.364 6.401 -4.538
26 HH21 ARG 3 HH21 ARG 3 0.457 4.459 -4.451
27 HH22 ARG 3 HH22 ARG 3 1.189 5.953 -3.973
28 H GLY 4 H GLY 4 7.273 3.573 -2.175
29 HA2 GLY 4 HA2 GLY 4 8.738 6.021 -2.909
30 HA3 GLY 4 HA3 GLY 4 7.774 5.814 -1.455
31 H TRP 5 H TRP 5 9.453 3.013 -1.875
32 HA TRP 5 HA TRP 5 11.692 3.970 -0.214
33 HB2 TRP 5 HB2 TRP 5 9.853 1.659 0.118
34 HB3 TRP 5 HB3 TRP 5 11.545 1.397 0.533
35 HD1 TRP 5 HD1 TRP 5 10.253 4.869 1.218
36 HE1 TRP 5 HE1 TRP 5 9.970 5.195 3.755
37 HE3 TRP 5 HE3 TRP 5 10.908 0.031 2.733
38 HZ2 TRP 5 HZ2 TRP 5 10.019 3.609 6.090
39 HZ3 TRP 5 HZ3 TRP 5 10.775 -0.480 5.136
40 HH2 TRP 5 HH2 TRP 5 10.341 1.274 6.779
41 H LYS 6 H LYS 6 10.677 2.135 -2.945
42 HA LYS 6 HA LYS 6 13.472 1.343 -3.442
43 HB2 LYS 6 HB2 LYS 6 12.301 -0.682 -3.145
44 HB3 LYS 6 HB3 LYS 6 10.903 -0.103 -4.042
45 HG2 LYS 6 HG2 LYS 6 13.323 -0.127 -5.648
46 HG3 LYS 6 HG3 LYS 6 12.908 -1.719 -5.010
47 HD2 LYS 6 HD2 LYS 6 10.605 -0.258 -6.048
48 HD3 LYS 6 HD3 LYS 6 11.845 -0.559 -7.268
49 HE2 LYS 6 HE2 LYS 6 11.747 -2.901 -6.915
50 HE3 LYS 6 HE3 LYS 6 10.786 -2.710 -5.449
51 HZ1 LYS 6 HZ1 LYS 6 9.503 -1.509 -7.682
52 HZ2 LYS 6 HZ2 LYS 6 8.928 -2.706 -6.635
53 HZ3 LYS 6 HZ3 LYS 6 9.840 -3.136 -7.994
54 H ARG 7 H ARG 7 10.404 1.900 -5.180
55 HA ARG 7 HA ARG 7 11.555 2.443 -7.671
56 HB2 ARG 7 HB2 ARG 7 8.928 3.275 -6.448
57 HB3 ARG 7 HB3 ARG 7 9.364 3.667 -8.106
58 HG2 ARG 7 HG2 ARG 7 9.727 1.166 -8.427
59 HG3 ARG 7 HG3 ARG 7 8.881 0.970 -6.891
60 HD2 ARG 7 HD2 ARG 7 6.961 1.059 -8.005
61 HD3 ARG 7 HD3 ARG 7 7.321 2.740 -8.395
62 HE ARG 7 HE ARG 7 8.625 0.978 -10.196
63 HH11 ARG 7 HH11 ARG 7 5.515 2.343 -9.432
64 HH12 ARG 7 HH12 ARG 7 4.917 2.219 -11.053
65 HH21 ARG 7 HH21 ARG 7 7.848 0.808 -12.334
66 HH22 ARG 7 HH22 ARG 7 6.245 1.344 -12.703
67 H LYS 8 H LYS 8 10.278 4.769 -5.283
68 HA LYS 8 HA LYS 8 11.087 7.097 -6.559
69 HB2 LYS 8 HB2 LYS 8 10.508 6.370 -3.722
70 HB3 LYS 8 HB3 LYS 8 11.244 7.932 -4.051
71 HG2 LYS 8 HG2 LYS 8 8.656 6.933 -5.223
72 HG3 LYS 8 HG3 LYS 8 8.814 8.084 -3.894
73 HD2 LYS 8 HD2 LYS 8 10.390 8.915 -6.161
74 HD3 LYS 8 HD3 LYS 8 8.709 8.654 -6.630
75 HE2 LYS 8 HE2 LYS 8 8.000 10.451 -5.498
76 HE3 LYS 8 HE3 LYS 8 9.004 10.075 -4.098
77 HZ1 LYS 8 HZ1 LYS 8 9.431 12.013 -6.082
78 HZ2 LYS 8 HZ2 LYS 8 10.692 10.889 -6.164
79 HZ3 LYS 8 HZ3 LYS 8 10.366 11.689 -4.709
80 H CYS 9 H CYS 9 12.710 5.972 -3.605
81 HA CYS 9 HA CYS 9 15.280 6.693 -4.853
82 HB2 CYS 9 HB2 CYS 9 14.083 7.804 -2.565
83 HB3 CYS 9 HB3 CYS 9 15.376 6.769 -1.969
84 HG CYS 9 HG CYS 9 17.023 8.155 -4.150
85 HA PRO 10 HA PRO 10 16.189 2.400 -4.126
86 HB2 PRO 10 HB2 PRO 10 18.744 2.493 -5.039
87 HB3 PRO 10 HB3 PRO 10 17.341 2.471 -6.113
88 HG2 PRO 10 HG2 PRO 10 19.004 4.793 -5.216
89 HG3 PRO 10 HG3 PRO 10 18.372 4.427 -6.832
90 HD2 PRO 10 HD2 PRO 10 17.203 6.228 -5.184
91 HD3 PRO 10 HD3 PRO 10 16.276 5.244 -6.334
92 H LEU 11 H LEU 11 16.374 4.296 -1.918
93 HA LEU 11 HA LEU 11 18.951 3.787 -0.683
94 HB2 LEU 11 HB2 LEU 11 16.513 5.339 0.126
95 HB3 LEU 11 HB3 LEU 11 17.828 5.027 1.258
96 HG LEU 11 HG LEU 11 18.216 6.443 -1.373
97 HD11 LEU 11 HD11 LEU 11 17.136 7.415 1.176
98 HD12 LEU 11 HD12 LEU 11 17.011 8.094 -0.446
99 HD13 LEU 11 HD13 LEU 11 18.463 8.370 0.516
100 HD21 LEU 11 HD21 LEU 11 20.234 5.485 -0.460
101 HD22 LEU 11 HD22 LEU 11 19.900 6.199 1.118
102 HD23 LEU 11 HD23 LEU 11 20.274 7.237 -0.259
103 H PHE 12 H PHE 12 15.611 2.741 -0.396
104 HA PHE 12 HA PHE 12 16.422 0.849 1.710
105 HB2 PHE 12 HB2 PHE 12 14.548 2.559 2.147
106 HB3 PHE 12 HB3 PHE 12 13.574 1.578 1.058
107 HD1 PHE 12 HD1 PHE 12 14.771 1.989 4.392
108 HD2 PHE 12 HD2 PHE 12 13.260 -0.880 1.633
109 HE1 PHE 12 HE1 PHE 12 14.197 0.497 6.262
110 HE2 PHE 12 HE2 PHE 12 12.683 -2.375 3.499
111 HZ PHE 12 HZ PHE 12 13.150 -1.688 5.817
112 H GLY 13 H GLY 13 15.157 1.183 -1.489
113 HA2 GLY 13 HA2 GLY 13 14.045 -1.430 -1.738
114 HA3 GLY 13 HA3 GLY 13 14.462 -0.351 -3.059
115 H LYS 14 H LYS 14 16.126 -0.895 -4.311
116 HA LYS 14 HA LYS 14 17.450 -3.344 -4.045
117 HB2 LYS 14 HB2 LYS 14 18.929 -2.518 -5.856
118 HB3 LYS 14 HB3 LYS 14 17.222 -2.275 -6.204
119 HG2 LYS 14 HG2 LYS 14 17.772 0.087 -5.075
120 HG3 LYS 14 HG3 LYS 14 19.365 -0.302 -5.730
121 HD2 LYS 14 HD2 LYS 14 18.213 0.929 -7.405
122 HD3 LYS 14 HD3 LYS 14 18.231 -0.756 -7.931
123 HE2 LYS 14 HE2 LYS 14 15.984 -1.014 -7.633
124 HE3 LYS 14 HE3 LYS 14 15.914 0.156 -6.316
125 HZ1 LYS 14 HZ1 LYS 14 16.168 1.934 -7.944
126 HZ2 LYS 14 HZ2 LYS 14 14.799 0.997 -8.274
127 HZ3 LYS 14 HZ3 LYS 14 16.200 0.802 -9.202
128 H GLY 15 H GLY 15 18.123 -0.255 -2.671
129 HA2 GLY 15 HA2 GLY 15 20.883 -0.973 -2.030
130 HA3 GLY 15 HA3 GLY 15 20.115 0.576 -1.722
131 H GLY 16 H GLY 16 18.440 -2.317 -0.829
132 HA2 GLY 16 HA2 GLY 16 18.057 -1.571 1.823
133 HA3 GLY 16 HA3 GLY 16 17.890 -3.211 1.212
134 H1 LYS 1 H LYS 1 17.134 5.811 6.778
135 HA LYS 1 HA LYS 1 17.989 6.027 3.966
136 HB2 LYS 1 HB2 LYS 1 17.961 3.634 5.804
137 HB3 LYS 1 HB3 LYS 1 18.129 3.494 4.059
138 HG2 LYS 1 HG2 LYS 1 19.989 5.341 5.421
139 HG3 LYS 1 HG3 LYS 1 20.210 3.616 5.722
140 HD2 LYS 1 HD2 LYS 1 20.649 3.155 3.484
141 HD3 LYS 1 HD3 LYS 1 19.887 4.646 2.928
142 HE2 LYS 1 HE2 LYS 1 22.300 4.796 4.677
143 HE3 LYS 1 HE3 LYS 1 22.497 4.410 2.968
144 HZ1 LYS 1 HZ1 LYS 1 22.121 6.511 2.400
145 HZ2 LYS 1 HZ2 LYS 1 22.292 6.909 4.035
146 HZ3 LYS 1 HZ3 LYS 1 20.753 6.637 3.388
147 H TYR 2 H TYR 2 15.385 5.699 6.072
148 HA TYR 2 HA TYR 2 13.668 4.720 3.887
149 HB2 TYR 2 HB2 TYR 2 12.185 4.269 6.138
150 HB3 TYR 2 HB3 TYR 2 13.172 3.058 5.329
151 HD1 TYR 2 HD1 TYR 2 13.019 5.398 8.171
152 HD2 TYR 2 HD2 TYR 2 15.186 2.232 6.329
153 HE1 TYR 2 HE1 TYR 2 14.349 5.122 10.221
154 HE2 TYR 2 HE2 TYR 2 16.521 1.947 8.376
155 HH TYR 2 HH TYR 2 16.733 2.526 10.530
156 H GLU 3 H GLU 3 13.740 6.758 6.800
157 HA GLU 3 HA GLU 3 11.315 8.060 6.467
158 HB2 GLU 3 HB2 GLU 3 12.358 9.921 7.778
159 HB3 GLU 3 HB3 GLU 3 12.536 8.332 8.507
160 HG2 GLU 3 HG2 GLU 3 14.813 8.467 7.067
161 HG3 GLU 3 HG3 GLU 3 14.569 10.169 7.452
162 H ILE 4 H ILE 4 14.513 8.970 5.219
163 HA ILE 4 HA ILE 4 13.614 11.310 3.887
164 HB ILE 4 HB ILE 4 15.758 11.497 2.975
165 HG12 ILE 4 HG12 ILE 4 15.846 9.345 1.825
166 HG13 ILE 4 HG13 ILE 4 17.324 9.601 2.746
167 HG21 ILE 4 HG21 ILE 4 16.836 9.930 5.165
168 HG22 ILE 4 HG22 ILE 4 16.855 11.674 4.905
169 HG23 ILE 4 HG23 ILE 4 15.456 10.909 5.658
170 HD11 ILE 4 HD11 ILE 4 15.064 7.724 3.302
171 HD12 ILE 4 HD12 ILE 4 16.787 7.382 3.146
172 HD13 ILE 4 HD13 ILE 4 16.179 8.217 4.575
173 H THR 5 H THR 5 13.007 8.112 3.252
174 HA THR 5 HA THR 5 12.863 8.484 0.346
175 HB THR 5 HB THR 5 12.021 5.867 1.234
176 HG1 THR 5 HG1 THR 5 14.725 6.378 1.850
177 HG21 THR 5 HG21 THR 5 13.270 6.978 -0.935
178 HG22 THR 5 HG22 THR 5 13.139 5.248 -0.615
179 HG23 THR 5 HG23 THR 5 14.593 6.126 -0.141
180 H THR 6 H THR 6 10.896 7.896 3.186
181 HA THR 6 HA THR 6 8.469 7.679 1.584
182 HB THR 6 HB THR 6 7.728 7.778 4.277
183 HG1 THR 6 HG1 THR 6 9.784 7.466 5.036
184 HG21 THR 6 HG21 THR 6 7.987 5.721 2.160
185 HG22 THR 6 HG22 THR 6 6.576 6.211 3.098
186 HG23 THR 6 HG23 THR 6 7.781 5.140 3.812
187 H ILE 7 H ILE 7 10.008 9.863 3.886
188 HA ILE 7 HA ILE 7 7.841 11.669 4.124
189 HB ILE 7 HB ILE 7 10.793 12.154 4.536
190 HG12 ILE 7 HG12 ILE 7 8.635 11.626 6.584
191 HG13 ILE 7 HG13 ILE 7 9.708 10.380 5.955
192 HG21 ILE 7 HG21 ILE 7 9.701 14.259 4.210
193 HG22 ILE 7 HG22 ILE 7 8.391 13.804 5.297
194 HG23 ILE 7 HG23 ILE 7 10.014 14.065 5.934
195 HD11 ILE 7 HD11 ILE 7 10.495 12.814 7.536
196 HD12 ILE 7 HD12 ILE 7 10.528 11.134 8.071
197 HD13 ILE 7 HD13 ILE 7 11.632 11.679 6.808
198 H HIS 8 H HIS 8 10.613 11.493 1.950
199 HA HIS 8 HA HIS 8 10.036 14.006 0.681
200 HB2 HIS 8 HB2 HIS 8 12.187 12.143 0.695
201 HB3 HIS 8 HB3 HIS 8 11.671 12.350 -0.976
202 HD1 HIS 8 HD1 HIS 8 14.198 13.562 0.947
203 HD2 HIS 8 HD2 HIS 8 11.175 15.510 -1.134
204 HE1 HIS 8 HE1 HIS 8 15.044 15.899 0.562
205 H ASN 9 H ASN 9 8.525 11.082 0.584
206 HA ASN 9 HA ASN 9 7.611 11.499 -2.188
207 HB2 ASN 9 HB2 ASN 9 8.785 9.376 -1.970
208 HB3 ASN 9 HB3 ASN 9 7.765 8.923 -0.608
209 HD21 ASN 9 HD21 ASN 9 6.909 10.441 -3.682
210 HD22 ASN 9 HD22 ASN 9 5.840 9.188 -4.205
211 H LEU 10 H LEU 10 6.750 11.845 0.976
212 HA LEU 10 HA LEU 10 3.889 11.514 0.356
213 HB2 LEU 10 HB2 LEU 10 3.466 10.634 2.398
214 HB3 LEU 10 HB3 LEU 10 5.132 10.089 2.213
215 HG LEU 10 HG LEU 10 5.572 12.423 3.459
216 HD11 LEU 10 HD11 LEU 10 2.789 11.585 4.180
217 HD12 LEU 10 HD12 LEU 10 3.410 13.194 3.813
218 HD13 LEU 10 HD13 LEU 10 3.817 12.420 5.344
219 HD21 LEU 10 HD21 LEU 10 6.040 9.886 4.028
220 HD22 LEU 10 HD22 LEU 10 4.749 10.156 5.199
221 HD23 LEU 10 HD23 LEU 10 6.205 11.151 5.246
222 H PHE 11 H PHE 11 6.390 13.622 1.332
223 HA PHE 11 HA PHE 11 5.124 15.545 2.845
224 HB2 PHE 11 HB2 PHE 11 7.523 15.363 1.298
225 HB3 PHE 11 HB3 PHE 11 6.762 16.918 0.974
226 HD1 PHE 11 HD1 PHE 11 8.106 18.444 2.094
227 HD2 PHE 11 HD2 PHE 11 6.772 14.946 4.119
228 HE1 PHE 11 HE1 PHE 11 9.009 19.326 4.207
229 HE2 PHE 11 HE2 PHE 11 7.672 15.823 6.234
230 HZ PHE 11 HZ PHE 11 8.791 18.017 6.281
231 H ARG 12 H ARG 12 4.676 14.777 -0.496
232 HA ARG 12 HA ARG 12 3.643 17.163 -1.489
233 HB2 ARG 12 HB2 ARG 12 2.891 14.316 -2.175
234 HB3 ARG 12 HB3 ARG 12 2.418 15.725 -3.116
235 HG2 ARG 12 HG2 ARG 12 4.999 16.174 -3.167
236 HG3 ARG 12 HG3 ARG 12 5.089 14.445 -2.825
237 HD2 ARG 12 HD2 ARG 12 4.980 14.235 -5.061
238 HD3 ARG 12 HD3 ARG 12 3.251 14.481 -4.815
239 HE ARG 12 HE ARG 12 4.510 16.978 -5.094
240 HH11 ARG 12 HH11 ARG 12 3.684 14.160 -6.964
241 HH12 ARG 12 HH12 ARG 12 3.560 15.028 -8.459
242 HH21 ARG 12 HH21 ARG 12 4.348 18.132 -7.055
243 HH22 ARG 12 HH22 ARG 12 3.939 17.287 -8.509
244 H LYS 13 H LYS 13 2.298 14.923 0.755
245 HA LYS 13 HA LYS 13 -0.351 16.174 0.518
246 HB2 LYS 13 HB2 LYS 13 0.601 13.525 1.526
247 HB3 LYS 13 HB3 LYS 13 -0.882 14.201 2.189
248 HG2 LYS 13 HG2 LYS 13 -1.475 14.505 -0.362
249 HG3 LYS 13 HG3 LYS 13 -0.307 13.195 -0.545
250 HD2 LYS 13 HD2 LYS 13 -2.265 12.015 -0.278
251 HD3 LYS 13 HD3 LYS 13 -1.687 12.095 1.387
252 HE2 LYS 13 HE2 LYS 13 -3.123 14.091 1.730
253 HE3 LYS 13 HE3 LYS 13 -3.762 13.868 0.102
254 HZ1 LYS 13 HZ1 LYS 13 -4.730 11.819 0.714
255 HZ2 LYS 13 HZ2 LYS 13 -5.139 12.912 1.939
256 HZ3 LYS 13 HZ3 LYS 13 -3.912 11.775 2.196
257 H LEU 14 H LEU 14 1.354 14.698 3.267
258 HA LEU 14 HA LEU 14 0.800 17.150 4.804
259 HB2 LEU 14 HB2 LEU 14 1.004 14.319 5.820
260 HB3 LEU 14 HB3 LEU 14 0.676 15.749 6.797
261 HG LEU 14 HG LEU 14 -1.322 15.773 4.874
262 HD11 LEU 14 HD11 LEU 14 -1.186 12.982 5.965
263 HD12 LEU 14 HD12 LEU 14 -0.525 13.398 4.384
264 HD13 LEU 14 HD13 LEU 14 -2.243 13.629 4.710
265 HD21 LEU 14 HD21 LEU 14 -1.732 14.472 7.529
266 HD22 LEU 14 HD22 LEU 14 -2.741 15.646 6.684
267 HD23 LEU 14 HD23 LEU 14 -1.240 16.164 7.452
268 H THR 15 H THR 15 2.475 15.118 6.736
269 HA THR 15 HA THR 15 5.080 16.237 5.922
270 HB THR 15 HB THR 15 5.500 15.861 8.538
271 HG1 THR 15 HG1 THR 15 3.473 16.730 9.536
272 HG21 THR 15 HG21 THR 15 4.886 18.087 6.838
273 HG22 THR 15 HG22 THR 15 5.936 18.028 8.253
274 HG23 THR 15 HG23 THR 15 4.216 18.366 8.445
275 H HIS 16 H HIS 16 4.560 14.070 8.617
276 HA HIS 16 HA HIS 16 5.882 11.916 7.101
277 HB2 HIS 16 HB2 HIS 16 6.888 11.259 9.354
278 HB3 HIS 16 HB3 HIS 16 7.543 12.705 8.591
279 HD1 HIS 16 HD1 HIS 16 6.863 15.008 9.663
280 HD2 HIS 16 HD2 HIS 16 5.681 11.652 11.808
281 HE1 HIS 16 HE1 HIS 16 6.239 15.856 11.947
282 H ARG 17 H ARG 17 3.805 11.030 6.653
283 HA ARG 17 HA ARG 17 2.556 9.733 8.985
284 HB2 ARG 17 HB2 ARG 17 1.166 10.542 6.427
285 HB3 ARG 17 HB3 ARG 17 0.416 9.851 7.860
286 HG2 ARG 17 HG2 ARG 17 1.744 12.548 7.677
287 HG3 ARG 17 HG3 ARG 17 0.007 12.236 7.734
288 HD2 ARG 17 HD2 ARG 17 0.960 10.887 9.935
289 HD3 ARG 17 HD3 ARG 17 1.968 12.333 9.889
290 HE ARG 17 HE ARG 17 -0.599 13.234 9.545
291 HH11 ARG 17 HH11 ARG 17 1.098 11.386 11.959
292 HH12 ARG 17 HH12 ARG 17 0.108 11.941 13.267
293 HH21 ARG 17 HH21 ARG 17 -1.910 13.972 11.260
294 HH22 ARG 17 HH22 ARG 17 -1.604 13.412 12.868
295 H LEU 18 H LEU 18 2.959 9.442 5.456
296 HA LEU 18 HA LEU 18 2.310 6.701 5.328
297 HB2 LEU 18 HB2 LEU 18 4.086 8.253 3.453
298 HB3 LEU 18 HB3 LEU 18 3.233 6.751 3.100
299 HG LEU 18 HG LEU 18 2.037 9.488 3.505
300 HD11 LEU 18 HD11 LEU 18 3.123 8.604 1.277
301 HD12 LEU 18 HD12 LEU 18 1.612 9.512 1.261
302 HD13 LEU 18 HD13 LEU 18 1.586 7.754 1.131
303 HD21 LEU 18 HD21 LEU 18 0.509 8.047 4.560
304 HD22 LEU 18 HD22 LEU 18 0.742 6.780 3.356
305 HD23 LEU 18 HD23 LEU 18 -0.115 8.260 2.925
306 H PHE 19 H PHE 19 4.941 8.196 6.712
307 HA PHE 19 HA PHE 19 7.055 6.460 6.009
308 HB2 PHE 19 HB2 PHE 19 7.541 8.593 7.027
309 HB3 PHE 19 HB3 PHE 19 6.617 8.169 8.463
310 HD1 PHE 19 HD1 PHE 19 8.210 8.279 10.159
311 HD2 PHE 19 HD2 PHE 19 9.060 6.077 6.616
312 HE1 PHE 19 HE1 PHE 19 10.250 7.387 11.206
313 HE2 PHE 19 HE2 PHE 19 11.100 5.182 7.659
314 HZ PHE 19 HZ PHE 19 11.697 5.836 9.956
315 H ARG 20 H ARG 20 4.874 6.494 8.821
316 HA ARG 20 HA ARG 20 5.616 3.683 9.312
317 HB2 ARG 20 HB2 ARG 20 4.797 5.839 11.260
318 HB3 ARG 20 HB3 ARG 20 4.888 4.136 11.685
319 HG2 ARG 20 HG2 ARG 20 7.203 4.078 11.482
320 HG3 ARG 20 HG3 ARG 20 7.248 5.550 10.510
321 HD2 ARG 20 HD2 ARG 20 6.958 6.928 12.343
322 HD3 ARG 20 HD3 ARG 20 6.211 5.655 13.309
323 HE ARG 20 HE ARG 20 8.954 5.120 12.677
324 HH11 ARG 20 HH11 ARG 20 6.818 6.799 14.853
325 HH12 ARG 20 HH12 ARG 20 7.958 6.829 16.157
326 HH21 ARG 20 HH21 ARG 20 10.464 5.153 14.386
327 HH22 ARG 20 HH22 ARG 20 10.032 5.894 15.889
328 H ARG 21 H ARG 21 3.009 6.033 9.143
329 HA ARG 21 HA ARG 21 0.913 4.287 9.895
330 HB2 ARG 21 HB2 ARG 21 1.041 6.932 9.558
331 HB3 ARG 21 HB3 ARG 21 0.376 6.505 7.986
332 HG2 ARG 21 HG2 ARG 21 -1.647 6.221 8.843
333 HG3 ARG 21 HG3 ARG 21 -1.030 5.133 10.089
334 HD2 ARG 21 HD2 ARG 21 -0.185 7.390 11.155
335 HD3 ARG 21 HD3 ARG 21 -1.483 8.075 10.179
336 HE ARG 21 HE ARG 21 -1.764 6.576 12.581
337 HH11 ARG 21 HH11 ARG 21 -3.270 7.222 9.509
338 HH12 ARG 21 HH12 ARG 21 -4.869 6.859 10.069
339 HH21 ARG 21 HH21 ARG 21 -3.865 6.096 13.330
340 HH22 ARG 21 HH22 ARG 21 -5.206 6.219 12.243
341 H ASN 22 H ASN 22 2.762 4.576 7.037
342 HA ASN 22 HA ASN 22 0.863 2.822 5.623
343 HB2 ASN 22 HB2 ASN 22 1.162 5.196 4.692
344 HB3 ASN 22 HB3 ASN 22 2.779 4.680 4.222
345 HD21 ASN 22 HD21 ASN 22 2.932 2.801 2.814
346 HD22 ASN 22 HD22 ASN 22 1.684 2.526 1.651
347 H PHE 23 H PHE 23 4.289 3.801 5.720
348 HA PHE 23 HA PHE 23 5.078 1.185 4.713
349 HB2 PHE 23 HB2 PHE 23 6.474 3.801 5.128
350 HB3 PHE 23 HB3 PHE 23 7.429 2.327 5.014
351 HD1 PHE 23 HD1 PHE 23 8.022 1.482 2.941
352 HD2 PHE 23 HD2 PHE 23 4.812 4.263 3.221
353 HE1 PHE 23 HE1 PHE 23 7.914 1.599 0.486
354 HE2 PHE 23 HE2 PHE 23 4.698 4.384 0.766
355 HZ PHE 23 HZ PHE 23 6.250 3.051 -0.605
356 H GLY 24 H GLY 24 4.062 2.009 7.560
357 HA2 GLY 24 HA2 GLY 24 6.264 0.731 9.056
358 HA3 GLY 24 HA3 GLY 24 5.099 1.843 9.761
359 H TYR 25 H TYR 25 2.931 0.471 8.160
360 HA TYR 25 HA TYR 25 2.253 -1.454 10.184
361 HB2 TYR 25 HB2 TYR 25 0.845 0.111 8.284
362 HB3 TYR 25 HB3 TYR 25 0.467 -1.574 7.948
363 HD1 TYR 25 HD1 TYR 25 0.220 1.129 10.417
364 HD2 TYR 25 HD2 TYR 25 -0.788 -2.906 9.526
365 HE1 TYR 25 HE1 TYR 25 -1.393 1.128 12.274
366 HE2 TYR 25 HE2 TYR 25 -2.404 -2.919 11.379
367 HH TYR 25 HH TYR 25 -2.938 -0.024 13.370
368 H THR 26 H THR 26 3.973 -1.569 7.298
369 HA THR 26 HA THR 26 3.291 -4.354 6.730
370 HB THR 26 HB THR 26 4.659 -2.190 5.227
371 HG1 THR 26 HG1 THR 26 2.494 -2.898 4.790
372 HG21 THR 26 HG21 THR 26 6.432 -3.832 5.271
373 HG22 THR 26 HG22 THR 26 5.675 -3.845 3.678
374 HG23 THR 26 HG23 THR 26 5.301 -5.115 4.843
375 H LEU 27 H LEU 27 6.226 -2.411 7.314
376 HA LEU 27 HA LEU 27 7.907 -4.678 7.657
377 HB2 LEU 27 HB2 LEU 27 9.618 -3.181 8.082
378 HB3 LEU 27 HB3 LEU 27 8.532 -2.260 7.042
379 HG LEU 27 HG LEU 27 7.612 -1.473 9.432
380 HD11 LEU 27 HD11 LEU 27 10.320 -2.561 9.899
381 HD12 LEU 27 HD12 LEU 27 8.954 -2.393 11.002
382 HD13 LEU 27 HD13 LEU 27 9.954 -0.992 10.619
383 HD21 LEU 27 HD21 LEU 27 8.480 0.551 8.885
384 HD22 LEU 27 HD22 LEU 27 8.792 -0.281 7.360
385 HD23 LEU 27 HD23 LEU 27 10.084 -0.102 8.548
386 H ARG 28 H ARG 28 5.462 -3.607 9.546
387 HA ARG 28 HA ARG 28 6.461 -3.576 12.149
388 HB2 ARG 28 HB2 ARG 28 3.962 -3.392 10.973
389 HB3 ARG 28 HB3 ARG 28 3.852 -4.867 11.926
390 HG2 ARG 28 HG2 ARG 28 4.000 -3.768 13.906
391 HG3 ARG 28 HG3 ARG 28 5.015 -2.485 13.244
392 HD2 ARG 28 HD2 ARG 28 3.221 -1.286 12.452
393 HD3 ARG 28 HD3 ARG 28 2.195 -2.713 12.315
394 HE ARG 28 HE ARG 28 1.525 -2.406 14.486
395 HH11 ARG 28 HH11 ARG 28 4.331 -0.444 13.852
396 HH12 ARG 28 HH12 ARG 28 4.230 0.416 15.352
397 HH21 ARG 28 HH21 ARG 28 1.382 -1.280 16.465
398 HH22 ARG 28 HH22 ARG 28 2.553 -0.061 16.839
Start of MODEL 8
1 H1 VAL 1 H VAL 1 1.467 -1.910 -3.822
2 HA VAL 1 HA VAL 1 1.816 0.330 -3.529
3 HB VAL 1 HB VAL 1 1.008 1.236 -1.345
4 HG11 VAL 1 HG11 VAL 1 -1.308 -0.107 -1.626
5 HG12 VAL 1 HG12 VAL 1 -0.779 1.167 -2.726
6 HG13 VAL 1 HG13 VAL 1 -0.523 -0.527 -3.147
7 HG21 VAL 1 HG21 VAL 1 0.291 -0.136 0.400
8 HG22 VAL 1 HG22 VAL 1 0.284 -1.581 -0.611
9 HG23 VAL 1 HG23 VAL 1 1.815 -0.868 -0.103
10 H ALA 2 H ALA 2 4.191 -1.064 -3.350
11 HA ALA 2 HA ALA 2 5.621 0.397 -1.226
12 HB1 ALA 2 HB1 ALA 2 5.520 -2.178 -1.115
13 HB2 ALA 2 HB2 ALA 2 6.681 -2.126 -2.443
14 HB3 ALA 2 HB3 ALA 2 7.079 -1.382 -0.894
15 H ARG 3 H ARG 3 5.626 2.114 -2.922
16 HA ARG 3 HA ARG 3 7.786 1.664 -4.875
17 HB2 ARG 3 HB2 ARG 3 6.663 3.791 -5.943
18 HB3 ARG 3 HB3 ARG 3 6.009 2.185 -6.238
19 HG2 ARG 3 HG2 ARG 3 4.944 3.670 -3.910
20 HG3 ARG 3 HG3 ARG 3 4.495 4.244 -5.517
21 HD2 ARG 3 HD2 ARG 3 4.208 1.471 -5.625
22 HD3 ARG 3 HD3 ARG 3 3.556 1.939 -4.055
23 HE ARG 3 HE ARG 3 2.433 3.711 -5.782
24 HH11 ARG 3 HH11 ARG 3 2.607 0.237 -5.635
25 HH12 ARG 3 HH12 ARG 3 1.083 -0.003 -6.426
26 HH21 ARG 3 HH21 ARG 3 0.426 3.409 -6.824
27 HH22 ARG 3 HH22 ARG 3 -0.155 1.802 -7.102
28 H GLY 4 H GLY 4 6.767 3.425 -2.134
29 HA2 GLY 4 HA2 GLY 4 8.421 5.737 -2.544
30 HA3 GLY 4 HA3 GLY 4 7.607 5.286 -1.052
31 H TRP 5 H TRP 5 9.107 2.558 -1.688
32 HA TRP 5 HA TRP 5 11.617 3.392 -0.385
33 HB2 TRP 5 HB2 TRP 5 9.747 1.143 0.182
34 HB3 TRP 5 HB3 TRP 5 11.470 0.851 0.404
35 HD1 TRP 5 HD1 TRP 5 10.549 4.373 1.200
36 HE1 TRP 5 HE1 TRP 5 10.476 4.712 3.751
37 HE3 TRP 5 HE3 TRP 5 10.756 -0.518 2.675
38 HZ2 TRP 5 HZ2 TRP 5 10.504 3.117 6.079
39 HZ3 TRP 5 HZ3 TRP 5 10.729 -1.025 5.083
40 HH2 TRP 5 HH2 TRP 5 10.606 0.756 6.748
41 H LYS 6 H LYS 6 10.230 1.972 -3.100
42 HA LYS 6 HA LYS 6 12.768 0.656 -3.816
43 HB2 LYS 6 HB2 LYS 6 11.093 -1.009 -3.833
44 HB3 LYS 6 HB3 LYS 6 9.924 0.058 -4.601
45 HG2 LYS 6 HG2 LYS 6 12.297 -0.338 -6.226
46 HG3 LYS 6 HG3 LYS 6 11.464 -1.849 -5.852
47 HD2 LYS 6 HD2 LYS 6 9.607 0.257 -6.572
48 HD3 LYS 6 HD3 LYS 6 10.797 -0.030 -7.844
49 HE2 LYS 6 HE2 LYS 6 9.300 -2.277 -6.526
50 HE3 LYS 6 HE3 LYS 6 8.640 -1.402 -7.907
51 HZ1 LYS 6 HZ1 LYS 6 11.228 -2.862 -7.857
52 HZ2 LYS 6 HZ2 LYS 6 10.602 -2.018 -9.182
53 HZ3 LYS 6 HZ3 LYS 6 9.807 -3.395 -8.605
54 H ARG 7 H ARG 7 10.060 2.539 -5.146
55 HA ARG 7 HA ARG 7 11.543 3.185 -7.538
56 HB2 ARG 7 HB2 ARG 7 8.938 4.381 -6.588
57 HB3 ARG 7 HB3 ARG 7 9.581 4.395 -8.224
58 HG2 ARG 7 HG2 ARG 7 9.411 1.883 -8.192
59 HG3 ARG 7 HG3 ARG 7 8.512 2.049 -6.682
60 HD2 ARG 7 HD2 ARG 7 6.929 3.562 -7.902
61 HD3 ARG 7 HD3 ARG 7 7.767 3.132 -9.392
62 HE ARG 7 HE ARG 7 6.940 0.804 -8.010
63 HH11 ARG 7 HH11 ARG 7 5.719 3.426 -9.948
64 HH12 ARG 7 HH12 ARG 7 4.375 2.521 -10.560
65 HH21 ARG 7 HH21 ARG 7 5.174 -0.398 -8.808
66 HH22 ARG 7 HH22 ARG 7 4.065 0.345 -9.910
67 H LYS 8 H LYS 8 10.290 4.998 -4.743
68 HA LYS 8 HA LYS 8 11.195 7.519 -5.370
69 HB2 LYS 8 HB2 LYS 8 10.482 6.089 -2.915
70 HB3 LYS 8 HB3 LYS 8 11.629 7.396 -2.653
71 HG2 LYS 8 HG2 LYS 8 9.294 8.105 -2.374
72 HG3 LYS 8 HG3 LYS 8 10.121 8.983 -3.662
73 HD2 LYS 8 HD2 LYS 8 8.738 8.189 -5.238
74 HD3 LYS 8 HD3 LYS 8 8.776 6.554 -4.575
75 HE2 LYS 8 HE2 LYS 8 6.927 6.883 -3.308
76 HE3 LYS 8 HE3 LYS 8 7.307 8.577 -3.001
77 HZ1 LYS 8 HZ1 LYS 8 5.486 7.538 -4.834
78 HZ2 LYS 8 HZ2 LYS 8 6.733 8.246 -5.731
79 HZ3 LYS 8 HZ3 LYS 8 5.894 9.160 -4.581
80 H CYS 9 H CYS 9 12.926 5.446 -3.046
81 HA CYS 9 HA CYS 9 15.451 6.500 -4.139
82 HB2 CYS 9 HB2 CYS 9 14.490 6.932 -1.602
83 HB3 CYS 9 HB3 CYS 9 15.537 5.537 -1.367
84 HG CYS 9 HG CYS 9 16.335 8.725 -2.020
85 HA PRO 10 HA PRO 10 16.089 2.165 -5.007
86 HB2 PRO 10 HB2 PRO 10 18.476 2.503 -6.255
87 HB3 PRO 10 HB3 PRO 10 16.927 2.844 -7.035
88 HG2 PRO 10 HG2 PRO 10 18.859 4.736 -5.750
89 HG3 PRO 10 HG3 PRO 10 17.964 4.912 -7.271
90 HD2 PRO 10 HD2 PRO 10 17.183 6.115 -4.974
91 HD3 PRO 10 HD3 PRO 10 16.028 5.561 -6.204
92 H LEU 11 H LEU 11 16.730 3.251 -2.381
93 HA LEU 11 HA LEU 11 19.309 1.927 -1.864
94 HB2 LEU 11 HB2 LEU 11 17.861 4.035 -0.271
95 HB3 LEU 11 HB3 LEU 11 19.348 3.237 0.238
96 HG LEU 11 HG LEU 11 19.077 4.965 -2.220
97 HD11 LEU 11 HD11 LEU 11 19.108 5.789 0.424
98 HD12 LEU 11 HD12 LEU 11 19.497 6.768 -0.990
99 HD13 LEU 11 HD13 LEU 11 20.784 5.953 -0.102
100 HD21 LEU 11 HD21 LEU 11 21.268 3.356 -1.025
101 HD22 LEU 11 HD22 LEU 11 21.681 4.914 -1.741
102 HD23 LEU 11 HD23 LEU 11 20.889 3.676 -2.718
103 H PHE 12 H PHE 12 15.939 1.809 -1.330
104 HA PHE 12 HA PHE 12 16.290 -0.184 0.809
105 HB2 PHE 12 HB2 PHE 12 14.603 2.037 0.697
106 HB3 PHE 12 HB3 PHE 12 13.548 0.665 0.378
107 HD1 PHE 12 HD1 PHE 12 13.273 -1.105 2.050
108 HD2 PHE 12 HD2 PHE 12 15.593 2.374 2.843
109 HE1 PHE 12 HE1 PHE 12 13.190 -1.602 4.457
110 HE2 PHE 12 HE2 PHE 12 15.515 1.882 5.251
111 HZ PHE 12 HZ PHE 12 14.313 -0.108 6.062
112 H GLY 13 H GLY 13 15.292 0.314 -2.432
113 HA2 GLY 13 HA2 GLY 13 14.188 -2.428 -2.508
114 HA3 GLY 13 HA3 GLY 13 13.599 -1.127 -3.532
115 H LYS 14 H LYS 14 15.153 -0.201 -5.087
116 HA LYS 14 HA LYS 14 16.223 -2.084 -6.782
117 HB2 LYS 14 HB2 LYS 14 15.858 0.558 -6.965
118 HB3 LYS 14 HB3 LYS 14 17.593 0.555 -6.671
119 HG2 LYS 14 HG2 LYS 14 18.053 -0.161 -8.733
120 HG3 LYS 14 HG3 LYS 14 16.764 -1.366 -8.701
121 HD2 LYS 14 HD2 LYS 14 15.809 -0.035 -10.246
122 HD3 LYS 14 HD3 LYS 14 15.322 0.926 -8.848
123 HE2 LYS 14 HE2 LYS 14 16.961 2.516 -9.208
124 HE3 LYS 14 HE3 LYS 14 17.980 1.407 -10.126
125 HZ1 LYS 14 HZ1 LYS 14 16.126 3.255 -11.102
126 HZ2 LYS 14 HZ2 LYS 14 15.549 1.712 -11.483
127 HZ3 LYS 14 HZ3 LYS 14 17.094 2.184 -11.983
128 H GLY 15 H GLY 15 18.101 -0.002 -4.566
129 HA2 GLY 15 HA2 GLY 15 20.374 -1.829 -4.852
130 HA3 GLY 15 HA3 GLY 15 20.421 -0.223 -4.138
131 H GLY 16 H GLY 16 17.981 -2.585 -3.293
132 HA2 GLY 16 HA2 GLY 16 18.448 -2.336 -0.529
133 HA3 GLY 16 HA3 GLY 16 17.483 -3.592 -1.291
134 H1 LYS 1 H LYS 1 18.100 2.704 7.047
135 HA LYS 1 HA LYS 1 17.696 5.598 6.655
136 HB2 LYS 1 HB2 LYS 1 18.691 3.724 4.517
137 HB3 LYS 1 HB3 LYS 1 18.743 5.482 4.536
138 HG2 LYS 1 HG2 LYS 1 20.374 5.385 6.382
139 HG3 LYS 1 HG3 LYS 1 20.361 3.623 6.267
140 HD2 LYS 1 HD2 LYS 1 22.027 3.844 4.796
141 HD3 LYS 1 HD3 LYS 1 20.811 4.444 3.666
142 HE2 LYS 1 HE2 LYS 1 21.281 6.709 4.254
143 HE3 LYS 1 HE3 LYS 1 22.305 6.207 5.598
144 HZ1 LYS 1 HZ1 LYS 1 23.750 6.807 3.868
145 HZ2 LYS 1 HZ2 LYS 1 22.859 5.969 2.700
146 HZ3 LYS 1 HZ3 LYS 1 23.744 5.114 3.861
147 H TYR 2 H TYR 2 15.434 4.883 7.236
148 HA TYR 2 HA TYR 2 14.044 3.928 4.818
149 HB2 TYR 2 HB2 TYR 2 12.263 3.512 6.879
150 HB3 TYR 2 HB3 TYR 2 13.280 2.279 6.143
151 HD1 TYR 2 HD1 TYR 2 13.007 4.621 8.989
152 HD2 TYR 2 HD2 TYR 2 15.064 1.277 7.352
153 HE1 TYR 2 HE1 TYR 2 14.101 4.241 11.159
154 HE2 TYR 2 HE2 TYR 2 16.164 0.886 9.517
155 HH TYR 2 HH TYR 2 15.358 2.822 12.364
156 H GLU 3 H GLU 3 13.679 5.939 7.731
157 HA GLU 3 HA GLU 3 11.346 7.264 7.054
158 HB2 GLU 3 HB2 GLU 3 12.220 9.127 8.496
159 HB3 GLU 3 HB3 GLU 3 12.250 7.538 9.246
160 HG2 GLU 3 HG2 GLU 3 14.660 7.374 8.595
161 HG3 GLU 3 HG3 GLU 3 14.570 9.062 8.096
162 H ILE 4 H ILE 4 14.695 8.167 6.279
163 HA ILE 4 HA ILE 4 13.994 10.506 4.829
164 HB ILE 4 HB ILE 4 16.248 10.712 4.261
165 HG12 ILE 4 HG12 ILE 4 16.535 8.583 3.113
166 HG13 ILE 4 HG13 ILE 4 17.843 8.817 4.268
167 HG21 ILE 4 HG21 ILE 4 16.892 9.081 6.609
168 HG22 ILE 4 HG22 ILE 4 17.137 10.803 6.317
169 HG23 ILE 4 HG23 ILE 4 15.561 10.214 6.845
170 HD11 ILE 4 HD11 ILE 4 15.428 7.061 4.627
171 HD12 ILE 4 HD12 ILE 4 17.087 6.538 4.332
172 HD13 ILE 4 HD13 ILE 4 16.670 7.340 5.847
173 H THR 5 H THR 5 13.454 7.327 4.120
174 HA THR 5 HA THR 5 13.815 7.645 1.229
175 HB THR 5 HB THR 5 13.062 5.181 2.813
176 HG1 THR 5 HG1 THR 5 15.514 6.088 1.691
177 HG21 THR 5 HG21 THR 5 12.204 5.206 0.484
178 HG22 THR 5 HG22 THR 5 13.415 3.953 0.760
179 HG23 THR 5 HG23 THR 5 13.856 5.434 -0.089
180 H THR 6 H THR 6 11.377 7.454 3.691
181 HA THR 6 HA THR 6 9.273 7.409 1.631
182 HB THR 6 HB THR 6 8.890 5.619 3.137
183 HG1 THR 6 HG1 THR 6 7.108 7.260 2.729
184 HG21 THR 6 HG21 THR 6 10.274 6.065 4.981
185 HG22 THR 6 HG22 THR 6 8.639 6.138 5.636
186 HG23 THR 6 HG23 THR 6 9.515 7.627 5.284
187 H ILE 7 H ILE 7 10.926 9.454 3.694
188 HA ILE 7 HA ILE 7 8.672 11.261 4.120
189 HB ILE 7 HB ILE 7 11.516 11.299 5.115
190 HG12 ILE 7 HG12 ILE 7 9.859 9.790 6.221
191 HG13 ILE 7 HG13 ILE 7 10.511 11.026 7.292
192 HG21 ILE 7 HG21 ILE 7 9.550 13.484 4.924
193 HG22 ILE 7 HG22 ILE 7 10.347 13.303 6.485
194 HG23 ILE 7 HG23 ILE 7 11.310 13.543 5.026
195 HD11 ILE 7 HD11 ILE 7 8.141 10.762 7.651
196 HD12 ILE 7 HD12 ILE 7 8.473 12.352 6.964
197 HD13 ILE 7 HD13 ILE 7 7.821 11.069 5.944
198 H HIS 8 H HIS 8 11.616 10.968 2.256
199 HA HIS 8 HA HIS 8 11.852 13.622 1.375
200 HB2 HIS 8 HB2 HIS 8 13.120 11.134 0.847
201 HB3 HIS 8 HB3 HIS 8 12.673 11.840 -0.704
202 HD1 HIS 8 HD1 HIS 8 14.060 13.463 2.452
203 HD2 HIS 8 HD2 HIS 8 14.900 13.078 -1.598
204 HE1 HIS 8 HE1 HIS 8 16.100 14.878 2.051
205 H ASN 9 H ASN 9 9.668 11.099 0.491
206 HA ASN 9 HA ASN 9 8.659 12.747 -1.733
207 HB2 ASN 9 HB2 ASN 9 9.500 10.149 -1.883
208 HB3 ASN 9 HB3 ASN 9 7.771 9.943 -1.619
209 HD21 ASN 9 HD21 ASN 9 10.196 11.357 -3.706
210 HD22 ASN 9 HD22 ASN 9 9.187 11.500 -5.102
211 H LEU 10 H LEU 10 8.078 12.519 1.312
212 HA LEU 10 HA LEU 10 5.151 12.323 1.029
213 HB2 LEU 10 HB2 LEU 10 5.610 10.572 2.442
214 HB3 LEU 10 HB3 LEU 10 6.996 11.383 3.169
215 HG LEU 10 HG LEU 10 5.402 12.874 4.376
216 HD11 LEU 10 HD11 LEU 10 3.304 10.922 3.451
217 HD12 LEU 10 HD12 LEU 10 3.519 12.537 2.776
218 HD13 LEU 10 HD13 LEU 10 3.077 12.343 4.473
219 HD21 LEU 10 HD21 LEU 10 4.481 10.286 5.304
220 HD22 LEU 10 HD22 LEU 10 5.532 11.460 6.093
221 HD23 LEU 10 HD23 LEU 10 6.209 10.293 4.958
222 H PHE 11 H PHE 11 7.864 14.149 2.172
223 HA PHE 11 HA PHE 11 6.507 15.967 3.846
224 HB2 PHE 11 HB2 PHE 11 9.162 15.663 2.753
225 HB3 PHE 11 HB3 PHE 11 8.656 17.349 2.676
226 HD1 PHE 11 HD1 PHE 11 7.701 14.853 5.237
227 HD2 PHE 11 HD2 PHE 11 10.010 18.311 4.325
228 HE1 PHE 11 HE1 PHE 11 8.240 15.120 7.623
229 HE2 PHE 11 HE2 PHE 11 10.552 18.582 6.709
230 HZ PHE 11 HZ PHE 11 9.668 16.985 8.362
231 H ARG 12 H ARG 12 6.216 15.471 0.569
232 HA ARG 12 HA ARG 12 6.115 17.884 -0.685
233 HB2 ARG 12 HB2 ARG 12 4.381 15.450 -0.914
234 HB3 ARG 12 HB3 ARG 12 4.017 16.877 -1.874
235 HG2 ARG 12 HG2 ARG 12 6.778 15.746 -1.897
236 HG3 ARG 12 HG3 ARG 12 5.503 14.987 -2.854
237 HD2 ARG 12 HD2 ARG 12 5.731 17.924 -3.069
238 HD3 ARG 12 HD3 ARG 12 7.058 16.988 -3.757
239 HE ARG 12 HE ARG 12 4.847 15.780 -4.757
240 HH11 ARG 12 HH11 ARG 12 5.968 19.076 -4.689
241 HH12 ARG 12 HH12 ARG 12 5.200 19.505 -6.182
242 HH21 ARG 12 HH21 ARG 12 3.831 16.333 -6.723
243 HH22 ARG 12 HH22 ARG 12 3.985 17.944 -7.337
244 H LYS 13 H LYS 13 2.986 16.540 0.236
245 HA LYS 13 HA LYS 13 2.276 19.145 1.416
246 HB2 LYS 13 HB2 LYS 13 0.009 18.865 0.482
247 HB3 LYS 13 HB3 LYS 13 1.238 18.968 -0.772
248 HG2 LYS 13 HG2 LYS 13 1.198 16.414 -0.771
249 HG3 LYS 13 HG3 LYS 13 -0.300 16.566 0.149
250 HD2 LYS 13 HD2 LYS 13 -1.463 17.417 -1.623
251 HD3 LYS 13 HD3 LYS 13 -0.034 18.171 -2.337
252 HE2 LYS 13 HE2 LYS 13 0.508 15.455 -2.441
253 HE3 LYS 13 HE3 LYS 13 -1.208 15.563 -2.831
254 HZ1 LYS 13 HZ1 LYS 13 -0.676 17.172 -4.557
255 HZ2 LYS 13 HZ2 LYS 13 0.152 15.719 -4.815
256 HZ3 LYS 13 HZ3 LYS 13 0.972 17.059 -4.186
257 H LEU 14 H LEU 14 2.916 16.131 2.222
258 HA LEU 14 HA LEU 14 0.770 15.995 4.236
259 HB2 LEU 14 HB2 LEU 14 2.071 13.858 2.611
260 HB3 LEU 14 HB3 LEU 14 1.474 13.473 4.225
261 HG LEU 14 HG LEU 14 -0.414 14.823 2.382
262 HD11 LEU 14 HD11 LEU 14 -0.308 11.903 2.067
263 HD12 LEU 14 HD12 LEU 14 1.005 12.794 1.297
264 HD13 LEU 14 HD13 LEU 14 -0.671 13.165 0.889
265 HD21 LEU 14 HD21 LEU 14 -1.326 14.319 4.459
266 HD22 LEU 14 HD22 LEU 14 -0.504 12.762 4.555
267 HD23 LEU 14 HD23 LEU 14 -1.864 12.976 3.451
268 H THR 15 H THR 15 1.459 16.301 6.238
269 HA THR 15 HA THR 15 4.110 16.686 6.978
270 HB THR 15 HB THR 15 3.121 16.087 9.365
271 HG1 THR 15 HG1 THR 15 1.129 15.351 7.986
272 HG21 THR 15 HG21 THR 15 3.767 18.334 8.494
273 HG22 THR 15 HG22 THR 15 2.374 18.363 9.575
274 HG23 THR 15 HG23 THR 15 2.140 18.494 7.833
275 H HIS 16 H HIS 16 2.484 14.269 8.876
276 HA HIS 16 HA HIS 16 4.520 12.290 8.090
277 HB2 HIS 16 HB2 HIS 16 4.371 11.509 10.520
278 HB3 HIS 16 HB3 HIS 16 5.228 13.018 10.222
279 HD1 HIS 16 HD1 HIS 16 2.293 11.603 11.970
280 HD2 HIS 16 HD2 HIS 16 3.840 15.356 11.084
281 HE1 HIS 16 HE1 HIS 16 1.051 13.208 13.453
282 H ARG 17 H ARG 17 2.895 11.446 6.648
283 HA ARG 17 HA ARG 17 0.850 9.859 8.056
284 HB2 ARG 17 HB2 ARG 17 0.689 11.493 5.575
285 HB3 ARG 17 HB3 ARG 17 -0.216 9.986 5.613
286 HG2 ARG 17 HG2 ARG 17 -1.817 11.334 6.453
287 HG3 ARG 17 HG3 ARG 17 -0.976 10.990 7.966
288 HD2 ARG 17 HD2 ARG 17 0.432 13.120 6.947
289 HD3 ARG 17 HD3 ARG 17 -1.228 13.489 6.484
290 HE ARG 17 HE ARG 17 -0.124 13.652 9.087
291 HH11 ARG 17 HH11 ARG 17 -3.032 12.780 7.382
292 HH12 ARG 17 HH12 ARG 17 -4.078 13.148 8.712
293 HH21 ARG 17 HH21 ARG 17 -1.493 14.140 10.846
294 HH22 ARG 17 HH22 ARG 17 -3.201 13.923 10.682
295 H LEU 18 H LEU 18 2.392 9.950 4.838
296 HA LEU 18 HA LEU 18 2.250 7.137 4.496
297 HB2 LEU 18 HB2 LEU 18 4.046 9.088 3.066
298 HB3 LEU 18 HB3 LEU 18 3.576 7.483 2.511
299 HG LEU 18 HG LEU 18 1.478 9.561 2.969
300 HD11 LEU 18 HD11 LEU 18 2.059 9.656 0.262
301 HD12 LEU 18 HD12 LEU 18 3.634 9.748 1.050
302 HD13 LEU 18 HD13 LEU 18 2.377 10.916 1.455
303 HD21 LEU 18 HD21 LEU 18 1.789 7.011 1.475
304 HD22 LEU 18 HD22 LEU 18 0.705 8.236 0.816
305 HD23 LEU 18 HD23 LEU 18 0.436 7.601 2.439
306 H PHE 19 H PHE 19 4.021 8.764 6.648
307 HA PHE 19 HA PHE 19 6.570 7.462 6.300
308 HB2 PHE 19 HB2 PHE 19 6.513 9.681 7.288
309 HB3 PHE 19 HB3 PHE 19 5.460 9.110 8.578
310 HD1 PHE 19 HD1 PHE 19 6.866 9.723 10.393
311 HD2 PHE 19 HD2 PHE 19 8.334 7.216 7.283
312 HE1 PHE 19 HE1 PHE 19 8.839 9.185 11.762
313 HE2 PHE 19 HE2 PHE 19 10.308 6.673 8.646
314 HZ PHE 19 HZ PHE 19 10.563 7.658 10.890
315 H ARG 20 H ARG 20 3.871 7.227 8.599
316 HA ARG 20 HA ARG 20 4.901 4.584 9.402
317 HB2 ARG 20 HB2 ARG 20 3.776 4.919 11.556
318 HB3 ARG 20 HB3 ARG 20 4.956 6.186 11.246
319 HG2 ARG 20 HG2 ARG 20 2.819 7.414 10.268
320 HG3 ARG 20 HG3 ARG 20 2.003 6.336 11.403
321 HD2 ARG 20 HD2 ARG 20 4.360 7.979 12.255
322 HD3 ARG 20 HD3 ARG 20 2.740 8.673 12.215
323 HE ARG 20 HE ARG 20 2.536 6.310 13.629
324 HH11 ARG 20 HH11 ARG 20 4.253 9.324 13.924
325 HH12 ARG 20 HH12 ARG 20 4.295 9.281 15.656
326 HH21 ARG 20 HH21 ARG 20 2.584 6.242 15.909
327 HH22 ARG 20 HH22 ARG 20 3.346 7.527 16.784
328 H ARG 21 H ARG 21 2.086 6.465 8.484
329 HA ARG 21 HA ARG 21 0.184 4.380 8.852
330 HB2 ARG 21 HB2 ARG 21 -0.124 6.683 6.937
331 HB3 ARG 21 HB3 ARG 21 -1.379 5.819 7.815
332 HG2 ARG 21 HG2 ARG 21 0.669 7.688 8.986
333 HG3 ARG 21 HG3 ARG 21 -1.055 8.001 8.778
334 HD2 ARG 21 HD2 ARG 21 0.161 5.871 10.535
335 HD3 ARG 21 HD3 ARG 21 -0.525 7.398 11.088
336 HE ARG 21 HE ARG 21 -1.953 5.028 10.419
337 HH11 ARG 21 HH11 ARG 21 -2.140 8.504 10.379
338 HH12 ARG 21 HH12 ARG 21 -3.870 8.542 10.453
339 HH21 ARG 21 HH21 ARG 21 -4.231 5.065 10.516
340 HH22 ARG 21 HH22 ARG 21 -5.059 6.585 10.532
341 H ASN 22 H ASN 22 2.647 4.770 6.631
342 HA ASN 22 HA ASN 22 1.301 2.979 4.716
343 HB2 ASN 22 HB2 ASN 22 3.051 5.360 4.257
344 HB3 ASN 22 HB3 ASN 22 3.128 4.023 3.112
345 HD21 ASN 22 HD21 ASN 22 0.583 5.754 4.886
346 HD22 ASN 22 HD22 ASN 22 -0.435 6.008 3.513
347 H PHE 23 H PHE 23 4.596 4.055 5.577
348 HA PHE 23 HA PHE 23 5.560 1.334 5.129
349 HB2 PHE 23 HB2 PHE 23 6.989 3.964 5.526
350 HB3 PHE 23 HB3 PHE 23 7.828 2.419 5.429
351 HD1 PHE 23 HD1 PHE 23 6.118 5.029 3.587
352 HD2 PHE 23 HD2 PHE 23 7.813 1.133 3.331
353 HE1 PHE 23 HE1 PHE 23 6.145 5.206 1.133
354 HE2 PHE 23 HE2 PHE 23 7.843 1.304 0.877
355 HZ PHE 23 HZ PHE 23 7.009 3.342 -0.226
356 H GLY 24 H GLY 24 4.020 2.481 7.552
357 HA2 GLY 24 HA2 GLY 24 5.960 1.679 9.626
358 HA3 GLY 24 HA3 GLY 24 4.581 2.733 9.903
359 H TYR 25 H TYR 25 3.036 0.788 8.077
360 HA TYR 25 HA TYR 25 2.037 -0.828 10.244
361 HB2 TYR 25 HB2 TYR 25 0.954 0.237 7.900
362 HB3 TYR 25 HB3 TYR 25 0.963 -1.503 7.634
363 HD1 TYR 25 HD1 TYR 25 -0.554 1.242 9.447
364 HD2 TYR 25 HD2 TYR 25 -0.268 -2.995 9.197
365 HE1 TYR 25 HE1 TYR 25 -2.588 1.030 10.813
366 HE2 TYR 25 HE2 TYR 25 -2.302 -3.219 10.560
367 HH TYR 25 HH TYR 25 -4.470 -1.304 10.959
368 H THR 26 H THR 26 4.445 -1.181 7.929
369 HA THR 26 HA THR 26 4.201 -4.088 7.772
370 HB THR 26 HB THR 26 5.706 -2.033 6.247
371 HG1 THR 26 HG1 THR 26 4.332 -4.455 5.649
372 HG21 THR 26 HG21 THR 26 7.551 -3.382 7.030
373 HG22 THR 26 HG22 THR 26 7.236 -3.769 5.338
374 HG23 THR 26 HG23 THR 26 6.693 -4.863 6.610
375 H LEU 27 H LEU 27 6.693 -1.687 8.640
376 HA LEU 27 HA LEU 27 8.421 -3.611 9.823
377 HB2 LEU 27 HB2 LEU 27 9.624 -1.639 10.707
378 HB3 LEU 27 HB3 LEU 27 9.343 -1.580 8.968
379 HG LEU 27 HG LEU 27 7.293 -0.114 9.614
380 HD11 LEU 27 HD11 LEU 27 8.118 1.292 11.680
381 HD12 LEU 27 HD12 LEU 27 8.861 -0.241 12.138
382 HD13 LEU 27 HD13 LEU 27 7.117 -0.146 11.891
383 HD21 LEU 27 HD21 LEU 27 8.711 1.892 9.541
384 HD22 LEU 27 HD22 LEU 27 9.195 0.691 8.343
385 HD23 LEU 27 HD23 LEU 27 10.131 0.886 9.826
386 H ARG 28 H ARG 28 5.486 -2.576 10.820
387 HA ARG 28 HA ARG 28 5.694 -1.891 13.486
388 HB2 ARG 28 HB2 ARG 28 3.433 -2.631 13.745
389 HB3 ARG 28 HB3 ARG 28 3.591 -1.965 12.125
390 HG2 ARG 28 HG2 ARG 28 2.511 -3.838 11.532
391 HG3 ARG 28 HG3 ARG 28 4.119 -4.559 11.628
392 HD2 ARG 28 HD2 ARG 28 2.530 -5.937 12.820
393 HD3 ARG 28 HD3 ARG 28 3.662 -5.207 13.959
394 HE ARG 28 HE ARG 28 1.577 -3.481 13.958
395 HH11 ARG 28 HH11 ARG 28 1.844 -6.922 14.413
396 HH12 ARG 28 HH12 ARG 28 0.480 -7.020 15.477
397 HH21 ARG 28 HH21 ARG 28 -0.221 -3.596 15.357
398 HH22 ARG 28 HH22 ARG 28 -0.694 -5.127 16.013
Start of MODEL 9
1 H1 VAL 1 H VAL 1 2.901 -0.970 -5.168
2 HA VAL 1 HA VAL 1 1.858 0.084 -3.303
3 HB VAL 1 HB VAL 1 0.717 -2.052 -2.668
4 HG11 VAL 1 HG11 VAL 1 1.757 -3.604 -1.188
5 HG12 VAL 1 HG12 VAL 1 2.835 -3.390 -2.570
6 HG13 VAL 1 HG13 VAL 1 3.192 -2.590 -1.039
7 HG21 VAL 1 HG21 VAL 1 1.946 -0.816 -0.230
8 HG22 VAL 1 HG22 VAL 1 0.862 0.110 -1.268
9 HG23 VAL 1 HG23 VAL 1 0.289 -1.363 -0.485
10 H ALA 2 H ALA 2 4.746 -1.444 -3.877
11 HA ALA 2 HA ALA 2 6.054 -0.034 -1.641
12 HB1 ALA 2 HB1 ALA 2 6.251 -2.463 -1.419
13 HB2 ALA 2 HB2 ALA 2 6.997 -2.548 -3.016
14 HB3 ALA 2 HB3 ALA 2 7.820 -1.709 -1.701
15 H ARG 3 H ARG 3 5.939 1.789 -3.226
16 HA ARG 3 HA ARG 3 8.197 1.650 -5.117
17 HB2 ARG 3 HB2 ARG 3 6.199 3.758 -5.580
18 HB3 ARG 3 HB3 ARG 3 7.001 2.692 -6.726
19 HG2 ARG 3 HG2 ARG 3 5.467 0.887 -6.119
20 HG3 ARG 3 HG3 ARG 3 4.659 1.964 -4.979
21 HD2 ARG 3 HD2 ARG 3 4.940 2.883 -7.788
22 HD3 ARG 3 HD3 ARG 3 3.779 1.597 -7.461
23 HE ARG 3 HE ARG 3 3.525 4.361 -6.773
24 HH11 ARG 3 HH11 ARG 3 2.633 1.127 -5.842
25 HH12 ARG 3 HH12 ARG 3 1.194 1.622 -5.013
26 HH21 ARG 3 HH21 ARG 3 1.633 5.026 -5.687
27 HH22 ARG 3 HH22 ARG 3 0.627 3.840 -4.927
28 H GLY 4 H GLY 4 6.934 3.095 -2.333
29 HA2 GLY 4 HA2 GLY 4 8.215 5.657 -2.603
30 HA3 GLY 4 HA3 GLY 4 7.472 5.008 -1.148
31 H TRP 5 H TRP 5 9.324 2.554 -1.823
32 HA TRP 5 HA TRP 5 11.698 3.692 -0.497
33 HB2 TRP 5 HB2 TRP 5 10.216 1.127 -0.065
34 HB3 TRP 5 HB3 TRP 5 11.944 1.186 0.266
35 HD1 TRP 5 HD1 TRP 5 10.457 4.464 1.067
36 HE1 TRP 5 HE1 TRP 5 10.091 4.699 3.603
37 HE3 TRP 5 HE3 TRP 5 11.136 -0.413 2.439
38 HZ2 TRP 5 HZ2 TRP 5 10.089 3.036 5.885
39 HZ3 TRP 5 HZ3 TRP 5 10.935 -1.008 4.818
40 HH2 TRP 5 HH2 TRP 5 10.423 0.683 6.503
41 H LYS 6 H LYS 6 10.524 2.153 -3.257
42 HA LYS 6 HA LYS 6 13.236 1.281 -4.014
43 HB2 LYS 6 HB2 LYS 6 11.871 -0.645 -4.038
44 HB3 LYS 6 HB3 LYS 6 10.525 0.215 -4.775
45 HG2 LYS 6 HG2 LYS 6 12.909 0.250 -6.433
46 HG3 LYS 6 HG3 LYS 6 12.346 -1.384 -6.075
47 HD2 LYS 6 HD2 LYS 6 10.167 0.416 -6.750
48 HD3 LYS 6 HD3 LYS 6 11.365 0.300 -8.040
49 HE2 LYS 6 HE2 LYS 6 11.089 -2.030 -8.225
50 HE3 LYS 6 HE3 LYS 6 10.234 -2.133 -6.686
51 HZ1 LYS 6 HZ1 LYS 6 8.391 -2.067 -7.906
52 HZ2 LYS 6 HZ2 LYS 6 9.211 -1.579 -9.302
53 HZ3 LYS 6 HZ3 LYS 6 8.716 -0.427 -8.167
54 H ARG 7 H ARG 7 10.236 2.722 -5.259
55 HA ARG 7 HA ARG 7 11.476 3.578 -7.705
56 HB2 ARG 7 HB2 ARG 7 8.932 3.072 -7.098
57 HB3 ARG 7 HB3 ARG 7 8.930 4.797 -6.756
58 HG2 ARG 7 HG2 ARG 7 8.764 5.266 -8.911
59 HG3 ARG 7 HG3 ARG 7 10.215 4.327 -9.267
60 HD2 ARG 7 HD2 ARG 7 8.595 2.289 -9.023
61 HD3 ARG 7 HD3 ARG 7 7.348 3.496 -9.333
62 HE ARG 7 HE ARG 7 9.490 3.567 -11.240
63 HH11 ARG 7 HH11 ARG 7 6.481 2.034 -10.392
64 HH12 ARG 7 HH12 ARG 7 6.115 1.559 -12.016
65 HH21 ARG 7 HH21 ARG 7 9.018 2.947 -13.383
66 HH22 ARG 7 HH22 ARG 7 7.559 2.079 -13.718
67 H LYS 8 H LYS 8 10.294 5.225 -4.782
68 HA LYS 8 HA LYS 8 10.886 7.833 -5.434
69 HB2 LYS 8 HB2 LYS 8 10.415 6.330 -3.001
70 HB3 LYS 8 HB3 LYS 8 11.592 7.611 -2.738
71 HG2 LYS 8 HG2 LYS 8 9.340 8.374 -2.248
72 HG3 LYS 8 HG3 LYS 8 10.018 9.250 -3.622
73 HD2 LYS 8 HD2 LYS 8 8.652 6.906 -4.547
74 HD3 LYS 8 HD3 LYS 8 7.584 7.842 -3.499
75 HE2 LYS 8 HE2 LYS 8 7.409 9.522 -4.980
76 HE3 LYS 8 HE3 LYS 8 9.117 9.448 -5.412
77 HZ1 LYS 8 HZ1 LYS 8 7.455 8.852 -7.202
78 HZ2 LYS 8 HZ2 LYS 8 7.176 7.420 -6.345
79 HZ3 LYS 8 HZ3 LYS 8 8.720 7.755 -6.955
80 H CYS 9 H CYS 9 12.993 6.015 -3.221
81 HA CYS 9 HA CYS 9 15.307 7.261 -4.555
82 HB2 CYS 9 HB2 CYS 9 14.538 7.761 -2.002
83 HB3 CYS 9 HB3 CYS 9 15.621 6.398 -1.745
84 HG CYS 9 HG CYS 9 16.533 9.231 -3.430
85 HA PRO 10 HA PRO 10 16.388 3.019 -5.372
86 HB2 PRO 10 HB2 PRO 10 18.728 3.568 -6.636
87 HB3 PRO 10 HB3 PRO 10 17.150 3.769 -7.406
88 HG2 PRO 10 HG2 PRO 10 18.913 5.828 -6.136
89 HG3 PRO 10 HG3 PRO 10 17.997 5.920 -7.651
90 HD2 PRO 10 HD2 PRO 10 17.124 7.051 -5.351
91 HD3 PRO 10 HD3 PRO 10 16.017 6.394 -6.572
92 H LEU 11 H LEU 11 16.950 4.172 -2.753
93 HA LEU 11 HA LEU 11 19.648 3.103 -2.251
94 HB2 LEU 11 HB2 LEU 11 19.878 4.545 -0.455
95 HB3 LEU 11 HB3 LEU 11 19.027 5.523 -1.649
96 HG LEU 11 HG LEU 11 16.920 4.600 -0.286
97 HD11 LEU 11 HD11 LEU 11 17.286 4.197 1.949
98 HD12 LEU 11 HD12 LEU 11 18.859 4.994 1.948
99 HD13 LEU 11 HD13 LEU 11 18.680 3.399 1.217
100 HD21 LEU 11 HD21 LEU 11 16.696 6.789 -0.009
101 HD22 LEU 11 HD22 LEU 11 18.385 7.008 -0.466
102 HD23 LEU 11 HD23 LEU 11 17.951 6.785 1.230
103 H PHE 12 H PHE 12 16.271 2.875 -1.411
104 HA PHE 12 HA PHE 12 16.875 0.763 0.541
105 HB2 PHE 12 HB2 PHE 12 15.161 2.894 0.753
106 HB3 PHE 12 HB3 PHE 12 14.073 1.601 0.259
107 HD1 PHE 12 HD1 PHE 12 13.316 0.029 1.801
108 HD2 PHE 12 HD2 PHE 12 16.642 2.498 2.777
109 HE1 PHE 12 HE1 PHE 12 13.247 -0.799 4.118
110 HE2 PHE 12 HE2 PHE 12 16.580 1.673 5.095
111 HZ PHE 12 HZ PHE 12 14.881 0.022 5.766
112 H GLY 13 H GLY 13 15.708 1.308 -2.617
113 HA2 GLY 13 HA2 GLY 13 13.982 -0.943 -2.858
114 HA3 GLY 13 HA3 GLY 13 14.708 -0.047 -4.185
115 H LYS 14 H LYS 14 16.862 -0.614 -4.855
116 HA LYS 14 HA LYS 14 17.268 -3.440 -4.880
117 HB2 LYS 14 HB2 LYS 14 19.283 -1.415 -5.821
118 HB3 LYS 14 HB3 LYS 14 18.990 -3.036 -6.436
119 HG2 LYS 14 HG2 LYS 14 16.780 -2.257 -7.264
120 HG3 LYS 14 HG3 LYS 14 17.224 -0.621 -6.772
121 HD2 LYS 14 HD2 LYS 14 17.957 -0.491 -8.909
122 HD3 LYS 14 HD3 LYS 14 19.391 -1.262 -8.226
123 HE2 LYS 14 HE2 LYS 14 18.745 -3.388 -9.004
124 HE3 LYS 14 HE3 LYS 14 17.096 -2.855 -9.332
125 HZ1 LYS 14 HZ1 LYS 14 19.465 -2.625 -10.966
126 HZ2 LYS 14 HZ2 LYS 14 18.536 -1.213 -10.894
127 HZ3 LYS 14 HZ3 LYS 14 17.836 -2.661 -11.420
128 H GLY 15 H GLY 15 18.479 -0.812 -2.983
129 HA2 GLY 15 HA2 GLY 15 20.901 -1.963 -2.096
130 HA3 GLY 15 HA3 GLY 15 19.993 -0.714 -1.258
131 H GLY 16 H GLY 16 17.908 -1.605 -0.187
132 HA2 GLY 16 HA2 GLY 16 18.658 -3.359 1.849
133 HA3 GLY 16 HA3 GLY 16 17.001 -2.933 1.451
134 H1 LYS 1 H LYS 1 18.064 3.473 6.304
135 HA LYS 1 HA LYS 1 17.274 6.310 6.171
136 HB2 LYS 1 HB2 LYS 1 18.986 4.643 4.390
137 HB3 LYS 1 HB3 LYS 1 17.982 5.879 3.644
138 HG2 LYS 1 HG2 LYS 1 19.440 7.446 4.197
139 HG3 LYS 1 HG3 LYS 1 19.317 7.004 5.901
140 HD2 LYS 1 HD2 LYS 1 20.961 5.170 5.458
141 HD3 LYS 1 HD3 LYS 1 21.169 5.827 3.832
142 HE2 LYS 1 HE2 LYS 1 21.823 7.995 4.865
143 HE3 LYS 1 HE3 LYS 1 21.757 7.214 6.445
144 HZ1 LYS 1 HZ1 LYS 1 23.760 7.010 4.364
145 HZ2 LYS 1 HZ2 LYS 1 23.344 5.541 5.094
146 HZ3 LYS 1 HZ3 LYS 1 23.913 6.824 6.039
147 H TYR 2 H TYR 2 15.115 5.398 6.698
148 HA TYR 2 HA TYR 2 13.793 4.386 4.267
149 HB2 TYR 2 HB2 TYR 2 12.077 3.691 6.275
150 HB3 TYR 2 HB3 TYR 2 13.275 2.615 5.566
151 HD1 TYR 2 HD1 TYR 2 15.229 1.951 6.796
152 HD2 TYR 2 HD2 TYR 2 12.496 4.759 8.452
153 HE1 TYR 2 HE1 TYR 2 16.300 1.686 8.995
154 HE2 TYR 2 HE2 TYR 2 13.560 4.504 10.655
155 HH TYR 2 HH TYR 2 15.998 3.764 11.448
156 H GLU 3 H GLU 3 13.285 6.257 7.249
157 HA GLU 3 HA GLU 3 10.818 7.364 6.657
158 HB2 GLU 3 HB2 GLU 3 11.532 9.259 8.142
159 HB3 GLU 3 HB3 GLU 3 11.735 7.658 8.840
160 HG2 GLU 3 HG2 GLU 3 14.136 7.757 8.139
161 HG3 GLU 3 HG3 GLU 3 13.868 9.443 7.701
162 H ILE 4 H ILE 4 14.044 8.618 5.854
163 HA ILE 4 HA ILE 4 13.126 10.939 4.525
164 HB ILE 4 HB ILE 4 15.329 11.304 3.842
165 HG12 ILE 4 HG12 ILE 4 15.634 9.202 2.607
166 HG13 ILE 4 HG13 ILE 4 17.024 9.542 3.631
167 HG21 ILE 4 HG21 ILE 4 15.648 9.555 6.274
168 HG22 ILE 4 HG22 ILE 4 16.673 10.902 5.783
169 HG23 ILE 4 HG23 ILE 4 15.017 11.201 6.309
170 HD11 ILE 4 HD11 ILE 4 16.465 7.201 3.727
171 HD12 ILE 4 HD12 ILE 4 16.159 7.956 5.292
172 HD13 ILE 4 HD13 ILE 4 14.814 7.588 4.214
173 H THR 5 H THR 5 12.853 7.728 3.675
174 HA THR 5 HA THR 5 12.946 8.246 0.793
175 HB THR 5 HB THR 5 12.263 5.543 1.824
176 HG1 THR 5 HG1 THR 5 13.967 6.136 3.204
177 HG21 THR 5 HG21 THR 5 13.688 6.762 -0.491
178 HG22 THR 5 HG22 THR 5 12.464 5.492 -0.460
179 HG23 THR 5 HG23 THR 5 14.128 5.126 -0.004
180 H THR 6 H THR 6 10.743 7.636 3.404
181 HA THR 6 HA THR 6 8.504 7.452 1.504
182 HB THR 6 HB THR 6 8.482 5.566 2.966
183 HG1 THR 6 HG1 THR 6 6.484 7.052 2.715
184 HG21 THR 6 HG21 THR 6 9.864 6.143 4.768
185 HG22 THR 6 HG22 THR 6 8.261 6.004 5.491
186 HG23 THR 6 HG23 THR 6 8.933 7.595 5.134
187 H ILE 7 H ILE 7 10.100 9.659 3.349
188 HA ILE 7 HA ILE 7 7.671 11.183 4.001
189 HB ILE 7 HB ILE 7 10.499 11.443 5.020
190 HG12 ILE 7 HG12 ILE 7 7.889 10.857 6.436
191 HG13 ILE 7 HG13 ILE 7 9.105 9.656 6.016
192 HG21 ILE 7 HG21 ILE 7 9.580 13.270 6.456
193 HG22 ILE 7 HG22 ILE 7 9.689 13.671 4.743
194 HG23 ILE 7 HG23 ILE 7 8.130 13.251 5.454
195 HD11 ILE 7 HD11 ILE 7 9.253 11.844 8.052
196 HD12 ILE 7 HD12 ILE 7 9.485 10.108 8.263
197 HD13 ILE 7 HD13 ILE 7 10.706 11.063 7.425
198 H HIS 8 H HIS 8 10.594 11.204 2.106
199 HA HIS 8 HA HIS 8 10.654 13.926 1.403
200 HB2 HIS 8 HB2 HIS 8 12.458 12.155 1.025
201 HB3 HIS 8 HB3 HIS 8 11.543 11.681 -0.403
202 HD1 HIS 8 HD1 HIS 8 13.443 14.628 1.004
203 HD2 HIS 8 HD2 HIS 8 11.943 13.251 -2.618
204 HE1 HIS 8 HE1 HIS 8 14.364 16.186 -0.740
205 H ASN 9 H ASN 9 8.907 11.182 0.068
206 HA ASN 9 HA ASN 9 7.679 12.945 -1.935
207 HB2 ASN 9 HB2 ASN 9 7.310 11.103 -3.277
208 HB3 ASN 9 HB3 ASN 9 8.786 10.609 -2.451
209 HD21 ASN 9 HD21 ASN 9 5.592 9.829 -3.156
210 HD22 ASN 9 HD22 ASN 9 5.427 8.470 -2.102
211 H LEU 10 H LEU 10 7.075 12.524 1.059
212 HA LEU 10 HA LEU 10 4.193 12.007 0.732
213 HB2 LEU 10 HB2 LEU 10 4.721 10.334 2.167
214 HB3 LEU 10 HB3 LEU 10 6.133 11.175 2.800
215 HG LEU 10 HG LEU 10 4.528 12.648 4.081
216 HD11 LEU 10 HD11 LEU 10 2.564 10.480 3.359
217 HD12 LEU 10 HD12 LEU 10 2.540 12.122 2.717
218 HD13 LEU 10 HD13 LEU 10 2.284 11.845 4.440
219 HD21 LEU 10 HD21 LEU 10 5.508 10.045 4.611
220 HD22 LEU 10 HD22 LEU 10 3.890 10.159 5.305
221 HD23 LEU 10 HD23 LEU 10 5.130 11.329 5.759
222 H PHE 11 H PHE 11 6.664 14.059 2.114
223 HA PHE 11 HA PHE 11 5.114 15.693 3.748
224 HB2 PHE 11 HB2 PHE 11 7.753 15.769 2.581
225 HB3 PHE 11 HB3 PHE 11 7.024 17.371 2.548
226 HD1 PHE 11 HD1 PHE 11 6.539 14.704 5.077
227 HD2 PHE 11 HD2 PHE 11 8.228 18.508 4.189
228 HE1 PHE 11 HE1 PHE 11 7.104 15.004 7.453
229 HE2 PHE 11 HE2 PHE 11 8.797 18.814 6.564
230 HZ PHE 11 HZ PHE 11 8.236 17.060 8.199
231 H ARG 12 H ARG 12 5.016 15.329 0.381
232 HA ARG 12 HA ARG 12 4.495 17.683 -0.785
233 HB2 ARG 12 HB2 ARG 12 3.258 15.001 -1.064
234 HB3 ARG 12 HB3 ARG 12 2.410 16.341 -1.825
235 HG2 ARG 12 HG2 ARG 12 4.280 16.859 -3.193
236 HG3 ARG 12 HG3 ARG 12 5.321 15.755 -2.292
237 HD2 ARG 12 HD2 ARG 12 4.710 14.040 -3.567
238 HD3 ARG 12 HD3 ARG 12 3.001 14.371 -3.279
239 HE ARG 12 HE ARG 12 3.946 16.216 -5.154
240 HH11 ARG 12 HH11 ARG 12 3.357 12.796 -4.870
241 HH12 ARG 12 HH12 ARG 12 3.036 12.580 -6.559
242 HH21 ARG 12 HH21 ARG 12 3.527 15.942 -7.379
243 HH22 ARG 12 HH22 ARG 12 3.134 14.369 -7.985
244 H LYS 13 H LYS 13 1.705 15.872 0.476
245 HA LYS 13 HA LYS 13 0.575 18.434 1.397
246 HB2 LYS 13 HB2 LYS 13 -0.598 16.251 -0.227
247 HB3 LYS 13 HB3 LYS 13 -1.640 16.943 1.009
248 HG2 LYS 13 HG2 LYS 13 -1.192 19.189 0.046
249 HG3 LYS 13 HG3 LYS 13 -0.301 18.401 -1.258
250 HD2 LYS 13 HD2 LYS 13 -2.531 17.001 -1.465
251 HD3 LYS 13 HD3 LYS 13 -3.225 18.429 -0.693
252 HE2 LYS 13 HE2 LYS 13 -3.423 19.054 -2.876
253 HE3 LYS 13 HE3 LYS 13 -1.804 19.670 -2.551
254 HZ1 LYS 13 HZ1 LYS 13 -0.826 17.912 -3.683
255 HZ2 LYS 13 HZ2 LYS 13 -2.160 18.292 -4.649
256 HZ3 LYS 13 HZ3 LYS 13 -2.215 16.949 -3.622
257 H LEU 14 H LEU 14 1.521 15.285 2.220
258 HA LEU 14 HA LEU 14 0.044 15.450 4.765
259 HB2 LEU 14 HB2 LEU 14 0.848 13.123 3.070
260 HB3 LEU 14 HB3 LEU 14 0.639 12.913 4.807
261 HG LEU 14 HG LEU 14 -1.481 13.848 2.872
262 HD11 LEU 14 HD11 LEU 14 -1.805 11.354 4.394
263 HD12 LEU 14 HD12 LEU 14 -0.571 11.320 3.135
264 HD13 LEU 14 HD13 LEU 14 -2.235 11.736 2.726
265 HD21 LEU 14 HD21 LEU 14 -2.520 14.656 4.660
266 HD22 LEU 14 HD22 LEU 14 -1.253 14.057 5.732
267 HD23 LEU 14 HD23 LEU 14 -2.606 13.012 5.293
268 H THR 15 H THR 15 1.345 16.188 6.306
269 HA THR 15 HA THR 15 4.079 16.378 6.304
270 HB THR 15 HB THR 15 3.211 17.573 8.046
271 HG1 THR 15 HG1 THR 15 4.045 16.706 9.889
272 HG21 THR 15 HG21 THR 15 1.010 17.085 8.307
273 HG22 THR 15 HG22 THR 15 1.603 16.201 9.713
274 HG23 THR 15 HG23 THR 15 1.275 15.345 8.207
275 H HIS 16 H HIS 16 2.655 14.157 8.652
276 HA HIS 16 HA HIS 16 4.574 12.096 7.787
277 HB2 HIS 16 HB2 HIS 16 4.518 11.480 10.335
278 HB3 HIS 16 HB3 HIS 16 5.570 12.772 9.765
279 HD1 HIS 16 HD1 HIS 16 1.857 12.996 10.518
280 HD2 HIS 16 HD2 HIS 16 5.489 14.494 11.870
281 HE1 HIS 16 HE1 HIS 16 1.269 14.723 12.249
282 H ARG 17 H ARG 17 2.831 11.166 6.579
283 HA ARG 17 HA ARG 17 0.877 9.755 8.276
284 HB2 ARG 17 HB2 ARG 17 0.562 11.110 5.631
285 HB3 ARG 17 HB3 ARG 17 -0.418 9.690 5.975
286 HG2 ARG 17 HG2 ARG 17 -1.617 11.728 6.514
287 HG3 ARG 17 HG3 ARG 17 -1.304 10.782 7.971
288 HD2 ARG 17 HD2 ARG 17 0.347 12.252 8.715
289 HD3 ARG 17 HD3 ARG 17 0.561 12.966 7.117
290 HE ARG 17 HE ARG 17 -1.085 14.454 7.631
291 HH11 ARG 17 HH11 ARG 17 -1.413 11.679 9.709
292 HH12 ARG 17 HH12 ARG 17 -2.698 12.369 10.645
293 HH21 ARG 17 HH21 ARG 17 -2.777 15.372 8.856
294 HH22 ARG 17 HH22 ARG 17 -3.473 14.469 10.159
295 H LEU 18 H LEU 18 1.925 9.462 4.885
296 HA LEU 18 HA LEU 18 1.754 6.678 4.793
297 HB2 LEU 18 HB2 LEU 18 3.541 8.473 3.158
298 HB3 LEU 18 HB3 LEU 18 3.076 6.823 2.750
299 HG LEU 18 HG LEU 18 1.043 9.018 3.046
300 HD11 LEU 18 HD11 LEU 18 1.976 10.008 1.274
301 HD12 LEU 18 HD12 LEU 18 1.337 8.648 0.352
302 HD13 LEU 18 HD13 LEU 18 3.006 8.622 0.921
303 HD21 LEU 18 HD21 LEU 18 0.078 6.852 3.075
304 HD22 LEU 18 HD22 LEU 18 1.090 6.307 1.737
305 HD23 LEU 18 HD23 LEU 18 -0.181 7.499 1.456
306 H PHE 19 H PHE 19 3.923 8.555 6.492
307 HA PHE 19 HA PHE 19 6.324 7.097 6.202
308 HB2 PHE 19 HB2 PHE 19 6.430 9.280 7.172
309 HB3 PHE 19 HB3 PHE 19 5.277 8.846 8.429
310 HD1 PHE 19 HD1 PHE 19 6.513 9.265 10.370
311 HD2 PHE 19 HD2 PHE 19 8.184 6.861 7.279
312 HE1 PHE 19 HE1 PHE 19 8.371 8.647 11.859
313 HE2 PHE 19 HE2 PHE 19 10.043 6.238 8.764
314 HZ PHE 19 HZ PHE 19 10.139 7.131 11.057
315 H ARG 20 H ARG 20 3.783 6.945 8.694
316 HA ARG 20 HA ARG 20 4.784 4.271 9.419
317 HB2 ARG 20 HB2 ARG 20 3.410 6.371 11.094
318 HB3 ARG 20 HB3 ARG 20 3.604 4.705 11.621
319 HG2 ARG 20 HG2 ARG 20 5.801 4.954 12.059
320 HG3 ARG 20 HG3 ARG 20 6.054 6.065 10.710
321 HD2 ARG 20 HD2 ARG 20 6.381 7.234 12.798
322 HD3 ARG 20 HD3 ARG 20 4.932 7.841 11.998
323 HE ARG 20 HE ARG 20 3.676 7.057 13.747
324 HH11 ARG 20 HH11 ARG 20 6.851 5.633 13.884
325 HH12 ARG 20 HH12 ARG 20 6.604 4.915 15.441
326 HH21 ARG 20 HH21 ARG 20 3.340 6.116 15.798
327 HH22 ARG 20 HH22 ARG 20 4.607 5.189 16.527
328 H ARG 21 H ARG 21 2.232 5.990 8.039
329 HA ARG 21 HA ARG 21 0.187 4.047 8.755
330 HB2 ARG 21 HB2 ARG 21 -0.008 6.418 6.889
331 HB3 ARG 21 HB3 ARG 21 -1.347 5.481 7.541
332 HG2 ARG 21 HG2 ARG 21 0.567 7.063 9.238
333 HG3 ARG 21 HG3 ARG 21 -0.974 7.684 8.642
334 HD2 ARG 21 HD2 ARG 21 -1.459 5.155 9.822
335 HD3 ARG 21 HD3 ARG 21 -0.460 6.083 10.940
336 HE ARG 21 HE ARG 21 -3.203 6.543 10.307
337 HH11 ARG 21 HH11 ARG 21 -0.236 8.113 11.230
338 HH12 ARG 21 HH12 ARG 21 -1.029 9.458 11.979
339 HH21 ARG 21 HH21 ARG 21 -4.259 8.310 11.291
340 HH22 ARG 21 HH22 ARG 21 -3.317 9.569 12.014
341 H ASN 22 H ASN 22 2.501 4.554 6.312
342 HA ASN 22 HA ASN 22 1.146 2.587 4.587
343 HB2 ASN 22 HB2 ASN 22 1.508 5.028 3.730
344 HB3 ASN 22 HB3 ASN 22 3.180 4.517 3.517
345 HD21 ASN 22 HD21 ASN 22 3.248 4.530 1.333
346 HD22 ASN 22 HD22 ASN 22 2.306 3.485 0.330
347 H PHE 23 H PHE 23 4.305 3.841 5.618
348 HA PHE 23 HA PHE 23 5.498 1.242 4.941
349 HB2 PHE 23 HB2 PHE 23 6.697 3.984 5.303
350 HB3 PHE 23 HB3 PHE 23 7.685 2.528 5.252
351 HD1 PHE 23 HD1 PHE 23 8.072 1.359 3.204
352 HD2 PHE 23 HD2 PHE 23 5.470 4.726 3.322
353 HE1 PHE 23 HE1 PHE 23 8.096 1.459 0.746
354 HE2 PHE 23 HE2 PHE 23 5.489 4.831 0.864
355 HZ PHE 23 HZ PHE 23 6.802 3.196 -0.427
356 H GLY 24 H GLY 24 3.953 2.250 7.431
357 HA2 GLY 24 HA2 GLY 24 5.995 1.769 9.479
358 HA3 GLY 24 HA3 GLY 24 4.370 2.378 9.763
359 H TYR 25 H TYR 25 3.403 0.166 7.881
360 HA TYR 25 HA TYR 25 2.945 -1.763 9.974
361 HB2 TYR 25 HB2 TYR 25 1.669 -1.001 7.519
362 HB3 TYR 25 HB3 TYR 25 1.942 -2.739 7.516
363 HD1 TYR 25 HD1 TYR 25 0.497 0.003 9.577
364 HD2 TYR 25 HD2 TYR 25 0.499 -4.158 8.681
365 HE1 TYR 25 HE1 TYR 25 -1.473 -0.303 11.018
366 HE2 TYR 25 HE2 TYR 25 -1.470 -4.474 10.120
367 HH TYR 25 HH TYR 25 -2.487 -3.220 12.150
368 H THR 26 H THR 26 5.435 -1.296 7.897
369 HA THR 26 HA THR 26 5.970 -4.172 7.571
370 HB THR 26 HB THR 26 6.683 -1.791 5.942
371 HG1 THR 26 HG1 THR 26 6.501 -3.614 4.336
372 HG21 THR 26 HG21 THR 26 8.892 -2.535 6.577
373 HG22 THR 26 HG22 THR 26 8.579 -3.020 4.910
374 HG23 THR 26 HG23 THR 26 8.472 -4.208 6.209
375 H LEU 27 H LEU 27 7.688 -1.115 8.234
376 HA LEU 27 HA LEU 27 9.988 -2.412 9.296
377 HB2 LEU 27 HB2 LEU 27 10.844 -0.296 9.671
378 HB3 LEU 27 HB3 LEU 27 9.763 -0.052 8.301
379 HG LEU 27 HG LEU 27 8.088 0.561 10.312
380 HD11 LEU 27 HD11 LEU 27 10.148 2.120 11.486
381 HD12 LEU 27 HD12 LEU 27 10.629 0.425 11.559
382 HD13 LEU 27 HD13 LEU 27 9.088 0.936 12.251
383 HD21 LEU 27 HD21 LEU 27 8.164 2.649 9.450
384 HD22 LEU 27 HD22 LEU 27 9.165 1.862 8.230
385 HD23 LEU 27 HD23 LEU 27 9.922 2.749 9.553
386 H ARG 28 H ARG 28 6.960 -2.263 10.506
387 HA ARG 28 HA ARG 28 7.230 -1.484 13.169
388 HB2 ARG 28 HB2 ARG 28 5.164 -2.339 11.680
389 HB3 ARG 28 HB3 ARG 28 5.481 -3.810 12.591
390 HG2 ARG 28 HG2 ARG 28 4.865 -2.875 14.586
391 HG3 ARG 28 HG3 ARG 28 5.274 -1.239 14.069
392 HD2 ARG 28 HD2 ARG 28 3.246 -2.025 12.343
393 HD3 ARG 28 HD3 ARG 28 2.754 -2.657 13.913
394 HE ARG 28 HE ARG 28 3.601 0.028 14.160
395 HH11 ARG 28 HH11 ARG 28 0.968 -1.910 12.964
396 HH12 ARG 28 HH12 ARG 28 -0.220 -0.670 13.189
397 HH21 ARG 28 HH21 ARG 28 2.046 1.671 14.461
398 HH22 ARG 28 HH22 ARG 28 0.395 1.368 14.039
Start of MODEL 10
1 H1 VAL 1 H VAL 1 -1.529 6.470 -1.215
2 HA VAL 1 HA VAL 1 -0.816 5.622 -3.241
3 HB VAL 1 HB VAL 1 0.782 6.956 -4.657
4 HG11 VAL 1 HG11 VAL 1 -1.254 8.926 -4.485
5 HG12 VAL 1 HG12 VAL 1 -1.094 7.608 -5.647
6 HG13 VAL 1 HG13 VAL 1 -1.980 7.356 -4.142
7 HG21 VAL 1 HG21 VAL 1 1.330 8.317 -2.380
8 HG22 VAL 1 HG22 VAL 1 1.657 8.925 -4.003
9 HG23 VAL 1 HG23 VAL 1 0.189 9.414 -3.158
10 H ALA 2 H ALA 2 1.007 4.408 -3.927
11 HA ALA 2 HA ALA 2 3.188 4.343 -1.944
12 HB1 ALA 2 HB1 ALA 2 3.414 1.926 -2.607
13 HB2 ALA 2 HB2 ALA 2 1.933 2.341 -1.743
14 HB3 ALA 2 HB3 ALA 2 1.899 2.106 -3.491
15 H ARG 3 H ARG 3 3.977 6.082 -3.535
16 HA ARG 3 HA ARG 3 5.506 4.767 -5.684
17 HB2 ARG 3 HB2 ARG 3 5.160 7.655 -5.970
18 HB3 ARG 3 HB3 ARG 3 4.943 6.373 -7.153
19 HG2 ARG 3 HG2 ARG 3 2.724 5.907 -6.253
20 HG3 ARG 3 HG3 ARG 3 2.942 7.184 -5.054
21 HD2 ARG 3 HD2 ARG 3 2.604 8.840 -6.561
22 HD3 ARG 3 HD3 ARG 3 3.381 7.951 -7.871
23 HE ARG 3 HE ARG 3 0.603 8.071 -7.322
24 HH11 ARG 3 HH11 ARG 3 3.100 5.912 -8.427
25 HH12 ARG 3 HH12 ARG 3 2.021 4.934 -9.365
26 HH21 ARG 3 HH21 ARG 3 -0.828 6.792 -8.554
27 HH22 ARG 3 HH22 ARG 3 -0.213 5.436 -9.437
28 H GLY 4 H GLY 4 5.669 6.357 -2.745
29 HA2 GLY 4 HA2 GLY 4 8.222 7.663 -3.227
30 HA3 GLY 4 HA3 GLY 4 7.332 7.637 -1.712
31 H TRP 5 H TRP 5 7.229 4.545 -2.502
32 HA TRP 5 HA TRP 5 9.865 3.929 -1.336
33 HB2 TRP 5 HB2 TRP 5 7.160 3.155 -0.463
34 HB3 TRP 5 HB3 TRP 5 8.314 1.826 -0.537
35 HD1 TRP 5 HD1 TRP 5 9.255 5.404 0.535
36 HE1 TRP 5 HE1 TRP 5 10.064 5.328 2.977
37 HE3 TRP 5 HE3 TRP 5 8.225 0.506 1.580
38 HZ2 TRP 5 HZ2 TRP 5 10.243 3.441 5.068
39 HZ3 TRP 5 HZ3 TRP 5 8.746 -0.356 3.825
40 HH2 TRP 5 HH2 TRP 5 9.734 1.084 5.532
41 H LYS 6 H LYS 6 7.298 2.976 -3.522
42 HA LYS 6 HA LYS 6 8.542 0.546 -4.373
43 HB2 LYS 6 HB2 LYS 6 6.111 2.037 -4.976
44 HB3 LYS 6 HB3 LYS 6 6.830 1.321 -6.413
45 HG2 LYS 6 HG2 LYS 6 5.889 -0.073 -3.925
46 HG3 LYS 6 HG3 LYS 6 5.283 -0.250 -5.573
47 HD2 LYS 6 HD2 LYS 6 7.962 -0.859 -5.811
48 HD3 LYS 6 HD3 LYS 6 7.525 -1.560 -4.253
49 HE2 LYS 6 HE2 LYS 6 5.644 -2.018 -6.488
50 HE3 LYS 6 HE3 LYS 6 7.202 -2.837 -6.591
51 HZ1 LYS 6 HZ1 LYS 6 6.560 -3.386 -4.086
52 HZ2 LYS 6 HZ2 LYS 6 6.100 -4.371 -5.381
53 HZ3 LYS 6 HZ3 LYS 6 5.002 -3.260 -4.733
54 H ARG 7 H ARG 7 8.099 3.718 -5.943
55 HA ARG 7 HA ARG 7 9.723 3.132 -8.175
56 HB2 ARG 7 HB2 ARG 7 8.054 4.956 -8.125
57 HB3 ARG 7 HB3 ARG 7 9.063 5.830 -6.982
58 HG2 ARG 7 HG2 ARG 7 9.383 6.748 -9.170
59 HG3 ARG 7 HG3 ARG 7 10.855 5.905 -8.684
60 HD2 ARG 7 HD2 ARG 7 9.358 3.957 -9.958
61 HD3 ARG 7 HD3 ARG 7 9.074 5.405 -10.922
62 HE ARG 7 HE ARG 7 11.828 5.147 -10.390
63 HH11 ARG 7 HH11 ARG 7 9.286 3.692 -12.271
64 HH12 ARG 7 HH12 ARG 7 10.350 3.138 -13.521
65 HH21 ARG 7 HH21 ARG 7 13.240 4.423 -12.029
66 HH22 ARG 7 HH22 ARG 7 12.599 3.554 -13.383
67 H LYS 8 H LYS 8 10.472 3.977 -4.940
68 HA LYS 8 HA LYS 8 13.071 5.080 -5.472
69 HB2 LYS 8 HB2 LYS 8 11.411 4.527 -3.112
70 HB3 LYS 8 HB3 LYS 8 13.136 4.318 -2.842
71 HG2 LYS 8 HG2 LYS 8 12.587 6.547 -2.250
72 HG3 LYS 8 HG3 LYS 8 13.474 6.614 -3.775
73 HD2 LYS 8 HD2 LYS 8 11.518 7.049 -5.012
74 HD3 LYS 8 HD3 LYS 8 10.470 6.567 -3.676
75 HE2 LYS 8 HE2 LYS 8 10.326 8.857 -3.549
76 HE3 LYS 8 HE3 LYS 8 11.652 8.540 -2.431
77 HZ1 LYS 8 HZ1 LYS 8 13.186 8.975 -4.324
78 HZ2 LYS 8 HZ2 LYS 8 12.294 10.325 -3.831
79 HZ3 LYS 8 HZ3 LYS 8 11.855 9.488 -5.234
80 H CYS 9 H CYS 9 13.894 3.368 -6.836
81 HA CYS 9 HA CYS 9 14.294 0.736 -5.811
82 HB2 CYS 9 HB2 CYS 9 14.777 2.152 -8.289
83 HB3 CYS 9 HB3 CYS 9 16.165 1.161 -7.855
84 HG CYS 9 HG CYS 9 13.711 -0.802 -7.338
85 HA PRO 10 HA PRO 10 18.870 2.164 -5.245
86 HB2 PRO 10 HB2 PRO 10 19.400 4.811 -5.532
87 HB3 PRO 10 HB3 PRO 10 19.461 3.668 -6.879
88 HG2 PRO 10 HG2 PRO 10 17.280 5.566 -6.102
89 HG3 PRO 10 HG3 PRO 10 17.921 5.198 -7.714
90 HD2 PRO 10 HD2 PRO 10 15.616 4.125 -6.782
91 HD3 PRO 10 HD3 PRO 10 16.691 3.257 -7.896
92 H LEU 11 H LEU 11 16.099 3.621 -3.996
93 HA LEU 11 HA LEU 11 17.511 4.601 -1.613
94 HB2 LEU 11 HB2 LEU 11 14.869 5.233 -2.852
95 HB3 LEU 11 HB3 LEU 11 15.111 5.505 -1.127
96 HG LEU 11 HG LEU 11 16.620 6.802 -3.394
97 HD11 LEU 11 HD11 LEU 11 14.780 8.099 -3.315
98 HD12 LEU 11 HD12 LEU 11 15.588 8.798 -1.913
99 HD13 LEU 11 HD13 LEU 11 14.342 7.570 -1.691
100 HD21 LEU 11 HD21 LEU 11 17.023 6.927 -0.414
101 HD22 LEU 11 HD22 LEU 11 17.645 8.146 -1.526
102 HD23 LEU 11 HD23 LEU 11 18.195 6.475 -1.652
103 H PHE 12 H PHE 12 14.432 2.964 -2.375
104 HA PHE 12 HA PHE 12 14.470 1.675 0.230
105 HB2 PHE 12 HB2 PHE 12 12.328 2.479 -0.356
106 HB3 PHE 12 HB3 PHE 12 12.441 1.832 -1.989
107 HD1 PHE 12 HD1 PHE 12 11.734 1.070 1.509
108 HD2 PHE 12 HD2 PHE 12 12.029 -0.512 -2.431
109 HE1 PHE 12 HE1 PHE 12 10.547 -0.957 2.238
110 HE2 PHE 12 HE2 PHE 12 10.842 -2.542 -1.709
111 HZ PHE 12 HZ PHE 12 10.098 -2.766 0.628
112 H GLY 13 H GLY 13 14.592 0.787 -3.195
113 HA2 GLY 13 HA2 GLY 13 14.582 -2.005 -2.851
114 HA3 GLY 13 HA3 GLY 13 15.234 -1.151 -4.242
115 H LYS 14 H LYS 14 17.410 -0.903 -4.454
116 HA LYS 14 HA LYS 14 19.072 -2.601 -2.855
117 HB2 LYS 14 HB2 LYS 14 20.137 -0.587 -4.807
118 HB3 LYS 14 HB3 LYS 14 20.763 -2.182 -4.413
119 HG2 LYS 14 HG2 LYS 14 18.739 -3.156 -5.511
120 HG3 LYS 14 HG3 LYS 14 18.329 -1.527 -6.053
121 HD2 LYS 14 HD2 LYS 14 19.708 -1.741 -7.782
122 HD3 LYS 14 HD3 LYS 14 21.060 -2.027 -6.685
123 HE2 LYS 14 HE2 LYS 14 20.467 -4.412 -6.605
124 HE3 LYS 14 HE3 LYS 14 19.145 -4.111 -7.733
125 HZ1 LYS 14 HZ1 LYS 14 21.191 -4.986 -8.785
126 HZ2 LYS 14 HZ2 LYS 14 21.999 -3.569 -8.341
127 HZ3 LYS 14 HZ3 LYS 14 20.696 -3.497 -9.418
128 H GLY 15 H GLY 15 18.089 0.652 -2.652
129 HA2 GLY 15 HA2 GLY 15 20.282 1.967 -1.590
130 HA3 GLY 15 HA3 GLY 15 18.615 2.310 -1.154
131 H GLY 16 H GLY 16 18.280 -0.472 -0.112
132 HA2 GLY 16 HA2 GLY 16 18.865 0.061 2.591
133 HA3 GLY 16 HA3 GLY 16 18.371 -1.495 1.939
134 H1 LYS 1 H LYS 1 17.305 0.773 4.074
135 HA LYS 1 HA LYS 1 17.142 3.563 4.980
136 HB2 LYS 1 HB2 LYS 1 17.640 2.311 2.292
137 HB3 LYS 1 HB3 LYS 1 17.131 3.988 2.432
138 HG2 LYS 1 HG2 LYS 1 19.192 3.918 4.194
139 HG3 LYS 1 HG3 LYS 1 19.728 2.750 2.983
140 HD2 LYS 1 HD2 LYS 1 18.705 4.903 1.527
141 HD3 LYS 1 HD3 LYS 1 19.629 5.631 2.842
142 HE2 LYS 1 HE2 LYS 1 21.310 3.654 2.050
143 HE3 LYS 1 HE3 LYS 1 20.538 4.071 0.522
144 HZ1 LYS 1 HZ1 LYS 1 22.217 5.742 2.268
145 HZ2 LYS 1 HZ2 LYS 1 21.081 6.476 1.254
146 HZ3 LYS 1 HZ3 LYS 1 22.307 5.517 0.594
147 H TYR 2 H TYR 2 15.066 3.550 5.837
148 HA TYR 2 HA TYR 2 12.903 3.119 3.883
149 HB2 TYR 2 HB2 TYR 2 11.686 3.026 6.358
150 HB3 TYR 2 HB3 TYR 2 12.120 1.632 5.375
151 HD1 TYR 2 HD1 TYR 2 14.212 0.390 5.848
152 HD2 TYR 2 HD2 TYR 2 12.857 3.532 8.377
153 HE1 TYR 2 HE1 TYR 2 15.718 -0.400 7.625
154 HE2 TYR 2 HE2 TYR 2 14.359 2.752 10.162
155 HH TYR 2 HH TYR 2 15.453 0.279 10.694
156 H GLU 3 H GLU 3 13.517 4.861 6.939
157 HA GLU 3 HA GLU 3 11.569 6.812 6.645
158 HB2 GLU 3 HB2 GLU 3 12.952 8.178 8.195
159 HB3 GLU 3 HB3 GLU 3 12.716 6.524 8.743
160 HG2 GLU 3 HG2 GLU 3 15.029 6.257 7.383
161 HG3 GLU 3 HG3 GLU 3 15.172 7.923 7.943
162 H ILE 4 H ILE 4 14.933 6.830 5.533
163 HA ILE 4 HA ILE 4 14.849 9.459 4.461
164 HB ILE 4 HB ILE 4 16.966 8.354 5.030
165 HG12 ILE 4 HG12 ILE 4 18.226 9.209 3.216
166 HG13 ILE 4 HG13 ILE 4 16.948 8.860 2.059
167 HG21 ILE 4 HG21 ILE 4 17.764 6.451 4.044
168 HG22 ILE 4 HG22 ILE 4 16.034 6.121 3.993
169 HG23 ILE 4 HG23 ILE 4 16.860 6.711 2.552
170 HD11 ILE 4 HD11 ILE 4 16.814 10.944 4.225
171 HD12 ILE 4 HD12 ILE 4 17.152 11.248 2.520
172 HD13 ILE 4 HD13 ILE 4 15.579 10.618 3.009
173 H THR 5 H THR 5 13.338 6.664 3.478
174 HA THR 5 HA THR 5 13.452 7.291 0.625
175 HB THR 5 HB THR 5 12.002 5.003 1.965
176 HG1 THR 5 HG1 THR 5 14.312 4.960 2.298
177 HG21 THR 5 HG21 THR 5 11.709 5.943 -0.573
178 HG22 THR 5 HG22 THR 5 11.451 4.265 -0.091
179 HG23 THR 5 HG23 THR 5 12.994 4.756 -0.789
180 H THR 6 H THR 6 11.241 7.302 3.346
181 HA THR 6 HA THR 6 9.023 8.142 1.640
182 HB THR 6 HB THR 6 8.109 8.241 4.253
183 HG1 THR 6 HG1 THR 6 8.905 5.923 4.782
184 HG21 THR 6 HG21 THR 6 7.690 5.618 3.220
185 HG22 THR 6 HG22 THR 6 7.654 6.760 1.877
186 HG23 THR 6 HG23 THR 6 6.572 6.980 3.252
187 H ILE 7 H ILE 7 11.097 9.348 4.219
188 HA ILE 7 HA ILE 7 9.738 11.788 4.652
189 HB ILE 7 HB ILE 7 12.635 11.071 5.117
190 HG12 ILE 7 HG12 ILE 7 10.348 11.295 7.083
191 HG13 ILE 7 HG13 ILE 7 10.890 9.775 6.377
192 HG21 ILE 7 HG21 ILE 7 12.424 13.470 4.930
193 HG22 ILE 7 HG22 ILE 7 11.061 13.468 6.048
194 HG23 ILE 7 HG23 ILE 7 12.670 13.029 6.620
195 HD11 ILE 7 HD11 ILE 7 12.391 11.590 8.238
196 HD12 ILE 7 HD12 ILE 7 11.876 9.924 8.510
197 HD13 ILE 7 HD13 ILE 7 13.157 10.272 7.349
198 H HIS 8 H HIS 8 12.261 10.815 2.403
199 HA HIS 8 HA HIS 8 12.720 13.491 1.446
200 HB2 HIS 8 HB2 HIS 8 14.125 11.099 1.328
201 HB3 HIS 8 HB3 HIS 8 13.597 11.355 -0.332
202 HD1 HIS 8 HD1 HIS 8 13.834 14.589 0.058
203 HD2 HIS 8 HD2 HIS 8 16.778 11.712 0.622
204 HE1 HIS 8 HE1 HIS 8 16.020 15.805 -0.201
205 H ASN 9 H ASN 9 10.261 11.311 1.017
206 HA ASN 9 HA ASN 9 9.587 12.442 -1.620
207 HB2 ASN 9 HB2 ASN 9 10.085 9.980 -1.639
208 HB3 ASN 9 HB3 ASN 9 8.708 9.747 -0.567
209 HD21 ASN 9 HD21 ASN 9 6.674 9.793 -1.380
210 HD22 ASN 9 HD22 ASN 9 6.315 9.942 -3.063
211 H LEU 10 H LEU 10 8.863 12.598 1.554
212 HA LEU 10 HA LEU 10 6.025 13.192 1.026
213 HB2 LEU 10 HB2 LEU 10 5.387 12.336 3.067
214 HB3 LEU 10 HB3 LEU 10 6.644 11.209 2.563
215 HG LEU 10 HG LEU 10 8.174 12.798 4.012
216 HD11 LEU 10 HD11 LEU 10 5.536 13.772 4.558
217 HD12 LEU 10 HD12 LEU 10 7.089 14.363 5.146
218 HD13 LEU 10 HD13 LEU 10 6.241 13.092 6.025
219 HD21 LEU 10 HD21 LEU 10 7.407 10.316 4.290
220 HD22 LEU 10 HD22 LEU 10 6.387 10.981 5.566
221 HD23 LEU 10 HD23 LEU 10 8.139 11.177 5.644
222 H PHE 11 H PHE 11 9.043 14.330 2.132
223 HA PHE 11 HA PHE 11 8.397 16.323 3.934
224 HB2 PHE 11 HB2 PHE 11 10.644 15.641 2.295
225 HB3 PHE 11 HB3 PHE 11 10.389 17.381 2.213
226 HD1 PHE 11 HD1 PHE 11 9.736 15.115 5.073
227 HD2 PHE 11 HD2 PHE 11 12.164 18.220 3.470
228 HE1 PHE 11 HE1 PHE 11 10.840 15.375 7.257
229 HE2 PHE 11 HE2 PHE 11 13.273 18.484 5.650
230 HZ PHE 11 HZ PHE 11 12.611 17.060 7.547
231 H ARG 12 H ARG 12 7.850 16.194 0.508
232 HA ARG 12 HA ARG 12 7.499 18.936 -0.008
233 HB2 ARG 12 HB2 ARG 12 6.405 16.461 -1.333
234 HB3 ARG 12 HB3 ARG 12 6.043 18.077 -1.924
235 HG2 ARG 12 HG2 ARG 12 8.822 16.963 -1.612
236 HG3 ARG 12 HG3 ARG 12 7.902 16.962 -3.119
237 HD2 ARG 12 HD2 ARG 12 7.679 19.544 -2.522
238 HD3 ARG 12 HD3 ARG 12 9.187 19.211 -1.671
239 HE ARG 12 HE ARG 12 9.355 18.157 -4.265
240 HH11 ARG 12 HH11 ARG 12 9.228 21.226 -2.626
241 HH12 ARG 12 HH12 ARG 12 10.129 22.062 -3.846
242 HH21 ARG 12 HH21 ARG 12 10.543 19.248 -5.879
243 HH22 ARG 12 HH22 ARG 12 10.875 20.937 -5.697
244 H LYS 13 H LYS 13 4.965 16.452 0.388
245 HA LYS 13 HA LYS 13 3.246 18.540 1.560
246 HB2 LYS 13 HB2 LYS 13 2.631 16.432 -0.477
247 HB3 LYS 13 HB3 LYS 13 1.361 16.993 0.602
248 HG2 LYS 13 HG2 LYS 13 1.732 19.290 -0.173
249 HG3 LYS 13 HG3 LYS 13 2.977 18.703 -1.279
250 HD2 LYS 13 HD2 LYS 13 1.316 17.331 -2.429
251 HD3 LYS 13 HD3 LYS 13 0.070 17.887 -1.309
252 HE2 LYS 13 HE2 LYS 13 1.488 20.102 -2.517
253 HE3 LYS 13 HE3 LYS 13 0.781 19.045 -3.738
254 HZ1 LYS 13 HZ1 LYS 13 -1.333 19.480 -3.026
255 HZ2 LYS 13 HZ2 LYS 13 -0.603 20.970 -2.699
256 HZ3 LYS 13 HZ3 LYS 13 -0.862 19.863 -1.447
257 H LEU 14 H LEU 14 4.527 17.499 3.460
258 HA LEU 14 HA LEU 14 3.942 14.940 4.399
259 HB2 LEU 14 HB2 LEU 14 4.295 16.196 6.706
260 HB3 LEU 14 HB3 LEU 14 5.628 15.840 5.610
261 HG LEU 14 HG LEU 14 5.609 18.119 4.794
262 HD11 LEU 14 HD11 LEU 14 3.154 18.455 5.031
263 HD12 LEU 14 HD12 LEU 14 4.125 19.798 5.632
264 HD13 LEU 14 HD13 LEU 14 3.397 18.661 6.766
265 HD21 LEU 14 HD21 LEU 14 6.790 17.445 6.951
266 HD22 LEU 14 HD22 LEU 14 5.484 18.280 7.790
267 HD23 LEU 14 HD23 LEU 14 6.528 19.167 6.679
268 H THR 15 H THR 15 1.655 14.797 3.794
269 HA THR 15 HA THR 15 -0.076 15.835 5.941
270 HB THR 15 HB THR 15 -0.451 15.940 3.006
271 HG1 THR 15 HG1 THR 15 -1.561 17.831 3.633
272 HG21 THR 15 HG21 THR 15 -2.169 14.351 3.438
273 HG22 THR 15 HG22 THR 15 -2.954 15.926 3.330
274 HG23 THR 15 HG23 THR 15 -2.667 15.191 4.907
275 H HIS 16 H HIS 16 0.559 13.245 3.635
276 HA HIS 16 HA HIS 16 -1.471 11.528 4.767
277 HB2 HIS 16 HB2 HIS 16 0.694 10.933 2.739
278 HB3 HIS 16 HB3 HIS 16 -0.635 9.858 3.160
279 HD1 HIS 16 HD1 HIS 16 -3.076 10.745 2.502
280 HD2 HIS 16 HD2 HIS 16 0.123 12.774 0.798
281 HE1 HIS 16 HE1 HIS 16 -4.050 12.041 0.580
282 H ARG 17 H ARG 17 -1.208 10.212 6.442
283 HA ARG 17 HA ARG 17 1.333 10.024 7.763
284 HB2 ARG 17 HB2 ARG 17 -1.181 8.480 8.404
285 HB3 ARG 17 HB3 ARG 17 0.166 8.827 9.481
286 HG2 ARG 17 HG2 ARG 17 -1.001 10.565 10.209
287 HG3 ARG 17 HG3 ARG 17 -0.702 11.323 8.643
288 HD2 ARG 17 HD2 ARG 17 -2.803 10.915 7.894
289 HD3 ARG 17 HD3 ARG 17 -2.931 9.387 8.766
290 HE ARG 17 HE ARG 17 -3.907 10.510 10.501
291 HH11 ARG 17 HH11 ARG 17 -2.289 12.803 8.441
292 HH12 ARG 17 HH12 ARG 17 -2.914 14.188 9.273
293 HH21 ARG 17 HH21 ARG 17 -4.737 12.326 11.604
294 HH22 ARG 17 HH22 ARG 17 -4.305 13.916 11.072
295 H LEU 18 H LEU 18 0.306 8.550 5.090
296 HA LEU 18 HA LEU 18 0.563 5.829 5.376
297 HB2 LEU 18 HB2 LEU 18 1.432 5.835 3.035
298 HB3 LEU 18 HB3 LEU 18 -0.070 6.725 3.276
299 HG LEU 18 HG LEU 18 1.581 8.776 3.479
300 HD11 LEU 18 HD11 LEU 18 3.699 8.023 3.231
301 HD12 LEU 18 HD12 LEU 18 3.306 8.199 1.521
302 HD13 LEU 18 HD13 LEU 18 3.208 6.614 2.290
303 HD21 LEU 18 HD21 LEU 18 1.046 7.637 0.753
304 HD22 LEU 18 HD22 LEU 18 1.061 9.326 1.259
305 HD23 LEU 18 HD23 LEU 18 -0.247 8.261 1.777
306 H PHE 19 H PHE 19 3.012 8.254 5.632
307 HA PHE 19 HA PHE 19 5.341 6.935 5.051
308 HB2 PHE 19 HB2 PHE 19 5.493 9.211 5.690
309 HB3 PHE 19 HB3 PHE 19 4.705 8.911 7.235
310 HD1 PHE 19 HD1 PHE 19 7.392 6.831 5.811
311 HD2 PHE 19 HD2 PHE 19 6.364 9.835 8.646
312 HE1 PHE 19 HE1 PHE 19 9.593 6.572 6.879
313 HE2 PHE 19 HE2 PHE 19 8.563 9.581 9.718
314 HZ PHE 19 HZ PHE 19 10.182 7.948 8.835
315 H ARG 20 H ARG 20 3.823 7.023 8.280
316 HA ARG 20 HA ARG 20 5.275 4.550 8.935
317 HB2 ARG 20 HB2 ARG 20 5.018 5.145 11.265
318 HB3 ARG 20 HB3 ARG 20 5.711 6.506 10.394
319 HG2 ARG 20 HG2 ARG 20 3.223 7.282 10.219
320 HG3 ARG 20 HG3 ARG 20 3.008 6.209 11.602
321 HD2 ARG 20 HD2 ARG 20 4.867 7.417 12.740
322 HD3 ARG 20 HD3 ARG 20 4.889 8.554 11.392
323 HE ARG 20 HE ARG 20 3.001 9.542 12.236
324 HH11 ARG 20 HH11 ARG 20 3.486 6.467 13.793
325 HH12 ARG 20 HH12 ARG 20 2.245 6.722 14.975
326 HH21 ARG 20 HH21 ARG 20 1.364 9.890 13.787
327 HH22 ARG 20 HH22 ARG 20 1.039 8.669 14.971
328 H ARG 21 H ARG 21 2.126 6.014 8.684
329 HA ARG 21 HA ARG 21 0.678 3.991 10.059
330 HB2 ARG 21 HB2 ARG 21 -0.024 6.418 9.372
331 HB3 ARG 21 HB3 ARG 21 -0.538 5.645 7.878
332 HG2 ARG 21 HG2 ARG 21 -2.435 5.046 8.837
333 HG3 ARG 21 HG3 ARG 21 -1.541 4.110 10.037
334 HD2 ARG 21 HD2 ARG 21 -1.226 6.258 11.312
335 HD3 ARG 21 HD3 ARG 21 -2.367 7.001 10.191
336 HE ARG 21 HE ARG 21 -3.495 4.667 11.302
337 HH11 ARG 21 HH11 ARG 21 -2.632 7.933 12.143
338 HH12 ARG 21 HH12 ARG 21 -3.847 8.077 13.371
339 HH21 ARG 21 HH21 ARG 21 -5.098 4.844 12.915
340 HH22 ARG 21 HH22 ARG 21 -5.248 6.318 13.810
341 H ASN 22 H ASN 22 2.124 4.149 6.972
342 HA ASN 22 HA ASN 22 0.672 1.718 6.155
343 HB2 ASN 22 HB2 ASN 22 0.338 3.939 4.806
344 HB3 ASN 22 HB3 ASN 22 1.922 3.552 4.140
345 HD21 ASN 22 HD21 ASN 22 -0.617 3.684 2.781
346 HD22 ASN 22 HD22 ASN 22 -0.894 2.121 2.097
347 H PHE 23 H PHE 23 3.691 3.523 5.564
348 HA PHE 23 HA PHE 23 5.079 1.026 4.996
349 HB2 PHE 23 HB2 PHE 23 5.974 3.911 4.853
350 HB3 PHE 23 HB3 PHE 23 7.004 2.537 4.462
351 HD1 PHE 23 HD1 PHE 23 5.856 0.840 2.734
352 HD2 PHE 23 HD2 PHE 23 4.967 4.985 3.105
353 HE1 PHE 23 HE1 PHE 23 5.009 0.861 0.424
354 HE2 PHE 23 HE2 PHE 23 4.118 5.013 0.796
355 HZ PHE 23 HZ PHE 23 4.137 2.949 -0.548
356 H GLY 24 H GLY 24 4.134 2.160 7.739
357 HA2 GLY 24 HA2 GLY 24 6.739 1.908 9.108
358 HA3 GLY 24 HA3 GLY 24 5.362 2.790 9.752
359 H TYR 25 H TYR 25 3.591 0.531 8.758
360 HA TYR 25 HA TYR 25 3.676 -0.982 11.203
361 HB2 TYR 25 HB2 TYR 25 1.759 -0.465 9.099
362 HB3 TYR 25 HB3 TYR 25 1.824 -2.184 9.472
363 HD1 TYR 25 HD1 TYR 25 1.147 -3.010 11.658
364 HD2 TYR 25 HD2 TYR 25 0.975 1.141 10.741
365 HE1 TYR 25 HE1 TYR 25 -0.271 -2.639 13.633
366 HE2 TYR 25 HE2 TYR 25 -0.442 1.524 12.714
367 HH TYR 25 HH TYR 25 -0.713 0.079 15.094
368 H THR 26 H THR 26 5.130 -1.278 8.186
369 HA THR 26 HA THR 26 5.308 -4.196 8.322
370 HB THR 26 HB THR 26 5.754 -2.183 6.183
371 HG1 THR 26 HG1 THR 26 4.629 -4.788 6.386
372 HG21 THR 26 HG21 THR 26 7.946 -3.203 6.264
373 HG22 THR 26 HG22 THR 26 7.072 -3.816 4.860
374 HG23 THR 26 HG23 THR 26 7.231 -4.814 6.304
375 H LEU 27 H LEU 27 7.498 -1.404 7.958
376 HA LEU 27 HA LEU 27 9.851 -2.913 8.460
377 HB2 LEU 27 HB2 LEU 27 9.144 -0.094 8.047
378 HB3 LEU 27 HB3 LEU 27 10.559 -0.356 9.063
379 HG LEU 27 HG LEU 27 11.028 0.030 6.628
380 HD11 LEU 27 HD11 LEU 27 12.838 -1.445 6.592
381 HD12 LEU 27 HD12 LEU 27 11.968 -2.680 7.502
382 HD13 LEU 27 HD13 LEU 27 12.505 -1.206 8.308
383 HD21 LEU 27 HD21 LEU 27 9.953 -2.767 6.304
384 HD22 LEU 27 HD22 LEU 27 10.624 -1.724 5.051
385 HD23 LEU 27 HD23 LEU 27 9.088 -1.309 5.814
386 H ARG 28 H ARG 28 7.393 -2.178 10.492
387 HA ARG 28 HA ARG 28 8.528 -1.194 12.819
388 HB2 ARG 28 HB2 ARG 28 6.095 -1.599 12.437
389 HB3 ARG 28 HB3 ARG 28 6.387 -3.320 12.654
390 HG2 ARG 28 HG2 ARG 28 6.840 -3.086 14.920
391 HG3 ARG 28 HG3 ARG 28 7.158 -1.356 14.773
392 HD2 ARG 28 HD2 ARG 28 4.992 -0.822 14.999
393 HD3 ARG 28 HD3 ARG 28 4.465 -2.136 13.950
394 HE ARG 28 HE ARG 28 4.071 -3.407 15.808
395 HH11 ARG 28 HH11 ARG 28 6.119 -0.731 16.682
396 HH12 ARG 28 HH12 ARG 28 6.046 -1.060 18.381
397 HH21 ARG 28 HH21 ARG 28 3.967 -3.852 18.044
398 HH22 ARG 28 HH22 ARG 28 4.823 -2.837 19.155
Start of MODEL 11
1 H1 VAL 1 H VAL 1 -0.184 3.363 0.062
2 HA VAL 1 HA VAL 1 0.469 2.438 -1.965
3 HB VAL 1 HB VAL 1 1.484 3.902 -3.737
4 HG11 VAL 1 HG11 VAL 1 -0.880 5.313 -3.742
5 HG12 VAL 1 HG12 VAL 1 -0.639 3.694 -4.401
6 HG13 VAL 1 HG13 VAL 1 -1.258 3.898 -2.761
7 HG21 VAL 1 HG21 VAL 1 0.432 6.358 -2.579
8 HG22 VAL 1 HG22 VAL 1 1.795 5.701 -1.674
9 HG23 VAL 1 HG23 VAL 1 1.967 6.058 -3.393
10 H ALA 2 H ALA 2 2.401 1.475 -2.533
11 HA ALA 2 HA ALA 2 4.736 2.341 -0.963
12 HB1 ALA 2 HB1 ALA 2 4.265 -0.397 -2.124
13 HB2 ALA 2 HB2 ALA 2 5.475 0.080 -0.931
14 HB3 ALA 2 HB3 ALA 2 3.766 0.075 -0.499
15 H ARG 3 H ARG 3 4.875 3.907 -2.891
16 HA ARG 3 HA ARG 3 6.479 2.639 -5.014
17 HB2 ARG 3 HB2 ARG 3 5.369 5.251 -5.692
18 HB3 ARG 3 HB3 ARG 3 5.356 3.750 -6.610
19 HG2 ARG 3 HG2 ARG 3 3.437 2.970 -5.323
20 HG3 ARG 3 HG3 ARG 3 3.456 4.465 -4.385
21 HD2 ARG 3 HD2 ARG 3 3.287 4.581 -7.366
22 HD3 ARG 3 HD3 ARG 3 1.844 4.210 -6.424
23 HE ARG 3 HE ARG 3 3.033 6.485 -5.325
24 HH11 ARG 3 HH11 ARG 3 1.449 5.494 -8.263
25 HH12 ARG 3 HH12 ARG 3 0.830 7.074 -8.617
26 HH21 ARG 3 HH21 ARG 3 2.225 8.569 -5.780
27 HH22 ARG 3 HH22 ARG 3 1.274 8.822 -7.204
28 H GLY 4 H GLY 4 6.523 4.697 -2.388
29 HA2 GLY 4 HA2 GLY 4 8.610 6.450 -3.430
30 HA3 GLY 4 HA3 GLY 4 7.859 6.554 -1.845
31 H TRP 5 H TRP 5 8.494 3.404 -2.095
32 HA TRP 5 HA TRP 5 11.197 3.696 -0.958
33 HB2 TRP 5 HB2 TRP 5 8.847 2.064 -0.117
34 HB3 TRP 5 HB3 TRP 5 10.454 1.389 0.134
35 HD1 TRP 5 HD1 TRP 5 10.251 5.126 0.508
36 HE1 TRP 5 HE1 TRP 5 10.416 5.752 2.999
37 HE3 TRP 5 HE3 TRP 5 9.761 0.466 2.551
38 HZ2 TRP 5 HZ2 TRP 5 10.347 4.443 5.499
39 HZ3 TRP 5 HZ3 TRP 5 9.822 0.239 5.001
40 HH2 TRP 5 HH2 TRP 5 10.110 2.188 6.441
41 H LYS 6 H LYS 6 9.511 2.560 -3.565
42 HA LYS 6 HA LYS 6 11.496 0.445 -4.093
43 HB2 LYS 6 HB2 LYS 6 9.885 -0.644 -5.510
44 HB3 LYS 6 HB3 LYS 6 9.131 -0.331 -3.953
45 HG2 LYS 6 HG2 LYS 6 7.444 0.392 -5.260
46 HG3 LYS 6 HG3 LYS 6 8.381 1.888 -5.243
47 HD2 LYS 6 HD2 LYS 6 8.302 1.753 -7.478
48 HD3 LYS 6 HD3 LYS 6 9.528 0.494 -7.308
49 HE2 LYS 6 HE2 LYS 6 8.115 -0.930 -8.264
50 HE3 LYS 6 HE3 LYS 6 7.067 -0.768 -6.856
51 HZ1 LYS 6 HZ1 LYS 6 6.789 1.401 -8.710
52 HZ2 LYS 6 HZ2 LYS 6 5.602 0.419 -8.013
53 HZ3 LYS 6 HZ3 LYS 6 6.414 -0.096 -9.405
54 H ARG 7 H ARG 7 9.855 3.277 -5.344
55 HA ARG 7 HA ARG 7 10.726 3.229 -7.987
56 HB2 ARG 7 HB2 ARG 7 9.058 4.819 -7.133
57 HB3 ARG 7 HB3 ARG 7 10.309 5.635 -6.205
58 HG2 ARG 7 HG2 ARG 7 9.833 6.891 -8.197
59 HG3 ARG 7 HG3 ARG 7 11.457 6.209 -8.308
60 HD2 ARG 7 HD2 ARG 7 9.800 4.270 -9.415
61 HD3 ARG 7 HD3 ARG 7 9.157 5.799 -10.014
62 HE ARG 7 HE ARG 7 11.966 5.753 -10.291
63 HH11 ARG 7 HH11 ARG 7 9.069 4.380 -11.650
64 HH12 ARG 7 HH12 ARG 7 9.760 4.144 -13.220
65 HH21 ARG 7 HH21 ARG 7 12.888 5.447 -12.355
66 HH22 ARG 7 HH22 ARG 7 11.933 4.751 -13.621
67 H LYS 8 H LYS 8 12.476 3.835 -5.082
68 HA LYS 8 HA LYS 8 14.794 4.780 -6.632
69 HB2 LYS 8 HB2 LYS 8 13.949 5.208 -3.784
70 HB3 LYS 8 HB3 LYS 8 15.637 5.382 -4.246
71 HG2 LYS 8 HG2 LYS 8 14.516 7.530 -4.239
72 HG3 LYS 8 HG3 LYS 8 15.018 7.094 -5.874
73 HD2 LYS 8 HD2 LYS 8 12.810 6.540 -6.508
74 HD3 LYS 8 HD3 LYS 8 12.247 6.549 -4.835
75 HE2 LYS 8 HE2 LYS 8 11.835 8.737 -4.902
76 HE3 LYS 8 HE3 LYS 8 13.428 9.083 -5.572
77 HZ1 LYS 8 HZ1 LYS 8 10.881 8.710 -6.936
78 HZ2 LYS 8 HZ2 LYS 8 12.250 8.095 -7.715
79 HZ3 LYS 8 HZ3 LYS 8 12.170 9.737 -7.315
80 H CYS 9 H CYS 9 16.088 3.141 -7.153
81 HA CYS 9 HA CYS 9 16.195 0.699 -5.694
82 HB2 CYS 9 HB2 CYS 9 17.244 1.742 -8.179
83 HB3 CYS 9 HB3 CYS 9 18.482 0.843 -7.312
84 HG CYS 9 HG CYS 9 15.426 -0.353 -8.276
85 HA PRO 10 HA PRO 10 20.539 2.377 -4.339
86 HB2 PRO 10 HB2 PRO 10 20.933 5.050 -4.602
87 HB3 PRO 10 HB3 PRO 10 21.344 3.889 -5.870
88 HG2 PRO 10 HG2 PRO 10 18.926 5.635 -5.613
89 HG3 PRO 10 HG3 PRO 10 19.905 5.285 -7.050
90 HD2 PRO 10 HD2 PRO 10 17.538 4.062 -6.566
91 HD3 PRO 10 HD3 PRO 10 18.874 3.254 -7.410
92 H LEU 11 H LEU 11 17.575 2.921 -3.410
93 HA LEU 11 HA LEU 11 18.350 4.374 -0.966
94 HB2 LEU 11 HB2 LEU 11 15.795 4.465 -2.540
95 HB3 LEU 11 HB3 LEU 11 15.864 4.960 -0.851
96 HG LEU 11 HG LEU 11 17.120 6.262 -3.245
97 HD11 LEU 11 HD11 LEU 11 15.713 7.679 -1.044
98 HD12 LEU 11 HD12 LEU 11 14.753 6.728 -2.177
99 HD13 LEU 11 HD13 LEU 11 15.773 8.040 -2.770
100 HD21 LEU 11 HD21 LEU 11 18.953 6.352 -1.849
101 HD22 LEU 11 HD22 LEU 11 17.972 6.391 -0.384
102 HD23 LEU 11 HD23 LEU 11 18.092 7.826 -1.405
103 H PHE 12 H PHE 12 15.421 2.578 -1.853
104 HA PHE 12 HA PHE 12 15.971 0.746 0.389
105 HB2 PHE 12 HB2 PHE 12 13.744 2.473 -0.028
106 HB3 PHE 12 HB3 PHE 12 13.179 0.814 -0.182
107 HD1 PHE 12 HD1 PHE 12 12.196 0.064 1.741
108 HD2 PHE 12 HD2 PHE 12 15.645 2.542 2.025
109 HE1 PHE 12 HE1 PHE 12 12.142 -0.147 4.192
110 HE2 PHE 12 HE2 PHE 12 15.597 2.335 4.476
111 HZ PHE 12 HZ PHE 12 13.844 0.988 5.562
112 H GLY 13 H GLY 13 15.028 1.113 -2.919
113 HA2 GLY 13 HA2 GLY 13 13.841 -1.347 -3.457
114 HA3 GLY 13 HA3 GLY 13 14.778 -0.413 -4.614
115 H LYS 14 H LYS 14 17.071 -0.767 -4.725
116 HA LYS 14 HA LYS 14 17.751 -3.543 -4.108
117 HB2 LYS 14 HB2 LYS 14 19.410 -3.398 -5.781
118 HB3 LYS 14 HB3 LYS 14 18.024 -2.532 -6.430
119 HG2 LYS 14 HG2 LYS 14 19.078 -0.407 -5.716
120 HG3 LYS 14 HG3 LYS 14 20.500 -1.325 -5.215
121 HD2 LYS 14 HD2 LYS 14 19.509 -1.769 -7.973
122 HD3 LYS 14 HD3 LYS 14 20.270 -0.213 -7.634
123 HE2 LYS 14 HE2 LYS 14 21.926 -2.110 -6.435
124 HE3 LYS 14 HE3 LYS 14 21.470 -2.816 -7.985
125 HZ1 LYS 14 HZ1 LYS 14 22.121 -0.081 -8.303
126 HZ2 LYS 14 HZ2 LYS 14 22.829 -1.434 -9.027
127 HZ3 LYS 14 HZ3 LYS 14 23.392 -0.886 -7.529
128 H GLY 15 H GLY 15 18.133 -0.555 -2.724
129 HA2 GLY 15 HA2 GLY 15 20.840 -0.968 -1.744
130 HA3 GLY 15 HA3 GLY 15 19.797 0.401 -1.387
131 H GLY 16 H GLY 16 17.550 -0.884 -0.400
132 HA2 GLY 16 HA2 GLY 16 18.594 -1.790 2.180
133 HA3 GLY 16 HA3 GLY 16 16.957 -1.235 1.862
134 H1 LYS 1 H LYS 1 18.380 4.056 4.939
135 HA LYS 1 HA LYS 1 17.145 6.423 6.170
136 HB2 LYS 1 HB2 LYS 1 18.352 5.920 3.466
137 HB3 LYS 1 HB3 LYS 1 17.229 7.251 3.714
138 HG2 LYS 1 HG2 LYS 1 18.777 8.504 4.703
139 HG3 LYS 1 HG3 LYS 1 19.320 7.174 5.727
140 HD2 LYS 1 HD2 LYS 1 20.799 6.372 4.074
141 HD3 LYS 1 HD3 LYS 1 20.052 7.360 2.816
142 HE2 LYS 1 HE2 LYS 1 20.822 9.380 4.115
143 HE3 LYS 1 HE3 LYS 1 21.761 8.277 5.119
144 HZ1 LYS 1 HZ1 LYS 1 23.090 7.662 3.302
145 HZ2 LYS 1 HZ2 LYS 1 22.966 9.346 3.200
146 HZ3 LYS 1 HZ3 LYS 1 22.044 8.367 2.173
147 H TYR 2 H TYR 2 15.060 5.949 6.570
148 HA TYR 2 HA TYR 2 13.466 4.874 4.336
149 HB2 TYR 2 HB2 TYR 2 11.976 4.341 6.592
150 HB3 TYR 2 HB3 TYR 2 12.983 3.180 5.734
151 HD1 TYR 2 HD1 TYR 2 12.645 5.232 8.727
152 HD2 TYR 2 HD2 TYR 2 15.203 2.586 6.594
153 HE1 TYR 2 HE1 TYR 2 14.014 4.936 10.749
154 HE2 TYR 2 HE2 TYR 2 16.579 2.281 8.610
155 HH TYR 2 HH TYR 2 16.616 4.238 11.123
156 H GLU 3 H GLU 3 13.217 6.791 7.331
157 HA GLU 3 HA GLU 3 10.760 7.978 6.845
158 HB2 GLU 3 HB2 GLU 3 11.566 9.814 8.340
159 HB3 GLU 3 HB3 GLU 3 11.790 8.200 8.998
160 HG2 GLU 3 HG2 GLU 3 14.163 8.564 7.764
161 HG3 GLU 3 HG3 GLU 3 13.773 10.220 8.224
162 H ILE 4 H ILE 4 13.995 9.100 5.907
163 HA ILE 4 HA ILE 4 13.045 11.452 4.602
164 HB ILE 4 HB ILE 4 15.277 11.779 3.832
165 HG12 ILE 4 HG12 ILE 4 16.868 9.695 4.566
166 HG13 ILE 4 HG13 ILE 4 15.409 8.840 4.078
167 HG21 ILE 4 HG21 ILE 4 16.586 11.458 5.931
168 HG22 ILE 4 HG22 ILE 4 15.019 12.229 6.164
169 HG23 ILE 4 HG23 ILE 4 15.232 10.526 6.571
170 HD11 ILE 4 HD11 ILE 4 16.059 9.012 1.976
171 HD12 ILE 4 HD12 ILE 4 15.924 10.767 2.094
172 HD13 ILE 4 HD13 ILE 4 17.456 9.973 2.459
173 H THR 5 H THR 5 12.694 8.285 3.798
174 HA THR 5 HA THR 5 12.889 8.759 0.905
175 HB THR 5 HB THR 5 12.186 6.044 1.774
176 HG1 THR 5 HG1 THR 5 14.667 7.226 2.529
177 HG21 THR 5 HG21 THR 5 13.719 7.409 -0.298
178 HG22 THR 5 HG22 THR 5 12.891 5.852 -0.345
179 HG23 THR 5 HG23 THR 5 14.523 5.964 0.315
180 H THR 6 H THR 6 10.658 8.367 3.477
181 HA THR 6 HA THR 6 8.446 8.112 1.543
182 HB THR 6 HB THR 6 8.257 6.176 2.827
183 HG1 THR 6 HG1 THR 6 6.322 7.525 2.882
184 HG21 THR 6 HG21 THR 6 9.662 6.109 4.589
185 HG22 THR 6 HG22 THR 6 8.265 6.681 5.501
186 HG23 THR 6 HG23 THR 6 9.475 7.829 4.929
187 H ILE 7 H ILE 7 9.993 10.205 3.590
188 HA ILE 7 HA ILE 7 7.535 11.758 4.072
189 HB ILE 7 HB ILE 7 10.148 11.949 5.577
190 HG12 ILE 7 HG12 ILE 7 7.505 10.780 6.474
191 HG13 ILE 7 HG13 ILE 7 8.901 9.830 5.981
192 HG21 ILE 7 HG21 ILE 7 9.364 13.960 6.142
193 HG22 ILE 7 HG22 ILE 7 7.777 13.625 5.452
194 HG23 ILE 7 HG23 ILE 7 8.153 13.100 7.093
195 HD11 ILE 7 HD11 ILE 7 9.821 11.609 7.940
196 HD12 ILE 7 HD12 ILE 7 8.290 10.960 8.529
197 HD13 ILE 7 HD13 ILE 7 9.596 9.865 8.075
198 H HIS 8 H HIS 8 10.397 11.615 2.303
199 HA HIS 8 HA HIS 8 10.194 14.482 1.657
200 HB2 HIS 8 HB2 HIS 8 12.468 12.996 2.584
201 HB3 HIS 8 HB3 HIS 8 12.778 13.569 0.947
202 HD1 HIS 8 HD1 HIS 8 14.010 14.603 3.784
203 HD2 HIS 8 HD2 HIS 8 11.247 16.517 1.340
204 HE1 HIS 8 HE1 HIS 8 14.194 17.048 4.346
205 H ASN 9 H ASN 9 9.632 11.455 0.552
206 HA ASN 9 HA ASN 9 10.581 11.819 -2.162
207 HB2 ASN 9 HB2 ASN 9 10.690 9.576 -1.471
208 HB3 ASN 9 HB3 ASN 9 9.094 9.632 -0.729
209 HD21 ASN 9 HD21 ASN 9 10.545 10.213 -3.919
210 HD22 ASN 9 HD22 ASN 9 9.350 9.339 -4.807
211 H LEU 10 H LEU 10 7.371 11.190 -0.730
212 HA LEU 10 HA LEU 10 6.214 12.905 -2.829
213 HB2 LEU 10 HB2 LEU 10 4.438 11.453 -3.155
214 HB3 LEU 10 HB3 LEU 10 5.823 10.375 -3.000
215 HG LEU 10 HG LEU 10 4.832 10.580 -0.416
216 HD11 LEU 10 HD11 LEU 10 2.564 10.560 -0.404
217 HD12 LEU 10 HD12 LEU 10 2.448 9.868 -2.022
218 HD13 LEU 10 HD13 LEU 10 2.805 11.584 -1.820
219 HD21 LEU 10 HD21 LEU 10 3.984 8.245 -0.927
220 HD22 LEU 10 HD22 LEU 10 5.691 8.549 -1.247
221 HD23 LEU 10 HD23 LEU 10 4.536 8.514 -2.580
222 H PHE 11 H PHE 11 6.794 12.621 0.388
223 HA PHE 11 HA PHE 11 4.272 13.585 1.398
224 HB2 PHE 11 HB2 PHE 11 6.859 12.750 2.528
225 HB3 PHE 11 HB3 PHE 11 6.067 14.054 3.406
226 HD1 PHE 11 HD1 PHE 11 5.689 12.728 5.375
227 HD2 PHE 11 HD2 PHE 11 4.163 11.509 1.592
228 HE1 PHE 11 HE1 PHE 11 4.235 11.087 6.493
229 HE2 PHE 11 HE2 PHE 11 2.706 9.867 2.705
230 HZ PHE 11 HZ PHE 11 2.740 9.656 5.159
231 H ARG 12 H ARG 12 6.605 15.011 -0.389
232 HA ARG 12 HA ARG 12 7.033 17.468 0.951
233 HB2 ARG 12 HB2 ARG 12 7.097 17.013 -2.033
234 HB3 ARG 12 HB3 ARG 12 7.938 18.263 -1.125
235 HG2 ARG 12 HG2 ARG 12 8.791 15.855 -0.009
236 HG3 ARG 12 HG3 ARG 12 8.766 15.582 -1.753
237 HD2 ARG 12 HD2 ARG 12 10.017 18.032 -0.554
238 HD3 ARG 12 HD3 ARG 12 10.912 16.521 -0.714
239 HE ARG 12 HE ARG 12 9.761 17.147 -3.190
240 HH11 ARG 12 HH11 ARG 12 12.225 18.316 -1.025
241 HH12 ARG 12 HH12 ARG 12 13.189 19.007 -2.288
242 HH21 ARG 12 HH21 ARG 12 11.022 18.053 -4.860
243 HH22 ARG 12 HH22 ARG 12 12.504 18.857 -4.468
244 H LYS 13 H LYS 13 4.287 16.182 -0.491
245 HA LYS 13 HA LYS 13 3.133 18.854 -0.941
246 HB2 LYS 13 HB2 LYS 13 2.829 16.267 -2.310
247 HB3 LYS 13 HB3 LYS 13 1.316 17.112 -2.010
248 HG2 LYS 13 HG2 LYS 13 1.751 18.133 -3.948
249 HG3 LYS 13 HG3 LYS 13 2.861 19.119 -2.991
250 HD2 LYS 13 HD2 LYS 13 3.960 16.561 -3.941
251 HD3 LYS 13 HD3 LYS 13 3.569 17.726 -5.209
252 HE2 LYS 13 HE2 LYS 13 4.947 18.920 -2.934
253 HE3 LYS 13 HE3 LYS 13 5.888 17.659 -3.729
254 HZ1 LYS 13 HZ1 LYS 13 4.581 19.623 -5.444
255 HZ2 LYS 13 HZ2 LYS 13 6.082 18.864 -5.619
256 HZ3 LYS 13 HZ3 LYS 13 5.909 20.158 -4.544
257 H LEU 14 H LEU 14 1.677 15.689 -0.232
258 HA LEU 14 HA LEU 14 0.331 16.928 2.077
259 HB2 LEU 14 HB2 LEU 14 -0.706 15.272 -0.143
260 HB3 LEU 14 HB3 LEU 14 -1.354 14.938 1.461
261 HG LEU 14 HG LEU 14 -1.696 17.586 1.425
262 HD11 LEU 14 HD11 LEU 14 -0.792 18.036 -0.721
263 HD12 LEU 14 HD12 LEU 14 -2.544 18.177 -0.863
264 HD13 LEU 14 HD13 LEU 14 -1.725 16.735 -1.461
265 HD21 LEU 14 HD21 LEU 14 -3.299 15.286 1.095
266 HD22 LEU 14 HD22 LEU 14 -3.871 16.490 -0.060
267 HD23 LEU 14 HD23 LEU 14 -3.786 16.885 1.657
268 H THR 15 H THR 15 0.886 16.058 3.952
269 HA THR 15 HA THR 15 1.744 13.237 3.998
270 HB THR 15 HB THR 15 3.687 14.503 4.481
271 HG1 THR 15 HG1 THR 15 2.662 13.925 7.066
272 HG21 THR 15 HG21 THR 15 1.850 16.175 6.161
273 HG22 THR 15 HG22 THR 15 2.969 16.681 4.895
274 HG23 THR 15 HG23 THR 15 3.587 16.162 6.464
275 H HIS 16 H HIS 16 0.576 11.920 5.233
276 HA HIS 16 HA HIS 16 -1.065 13.097 7.378
277 HB2 HIS 16 HB2 HIS 16 -2.494 12.442 5.507
278 HB3 HIS 16 HB3 HIS 16 -1.803 10.822 5.525
279 HD1 HIS 16 HD1 HIS 16 -3.491 9.273 6.435
280 HD2 HIS 16 HD2 HIS 16 -3.488 12.901 8.458
281 HE1 HIS 16 HE1 HIS 16 -5.198 9.025 8.263
282 H ARG 17 H ARG 17 -1.129 9.706 6.734
283 HA ARG 17 HA ARG 17 0.641 9.221 9.038
284 HB2 ARG 17 HB2 ARG 17 -1.919 7.753 8.379
285 HB3 ARG 17 HB3 ARG 17 -0.831 7.372 9.708
286 HG2 ARG 17 HG2 ARG 17 -2.277 9.994 9.401
287 HG3 ARG 17 HG3 ARG 17 -2.849 8.642 10.382
288 HD2 ARG 17 HD2 ARG 17 -0.973 8.796 11.834
289 HD3 ARG 17 HD3 ARG 17 -0.152 9.922 10.756
290 HE ARG 17 HE ARG 17 -1.358 11.631 11.683
291 HH11 ARG 17 HH11 ARG 17 -2.857 8.601 12.509
292 HH12 ARG 17 HH12 ARG 17 -3.988 9.311 13.612
293 HH21 ARG 17 HH21 ARG 17 -2.842 12.579 13.131
294 HH22 ARG 17 HH22 ARG 17 -3.979 11.575 13.964
295 H LEU 18 H LEU 18 0.164 8.741 5.807
296 HA LEU 18 HA LEU 18 0.705 6.101 5.260
297 HB2 LEU 18 HB2 LEU 18 1.744 8.552 3.848
298 HB3 LEU 18 HB3 LEU 18 1.817 6.917 3.194
299 HG LEU 18 HG LEU 18 -0.738 8.382 3.853
300 HD11 LEU 18 HD11 LEU 18 -0.993 8.743 1.488
301 HD12 LEU 18 HD12 LEU 18 0.525 7.909 1.159
302 HD13 LEU 18 HD13 LEU 18 0.534 9.447 2.020
303 HD21 LEU 18 HD21 LEU 18 -1.152 6.068 3.949
304 HD22 LEU 18 HD22 LEU 18 -0.118 5.741 2.558
305 HD23 LEU 18 HD23 LEU 18 -1.661 6.565 2.335
306 H PHE 19 H PHE 19 2.784 8.464 6.672
307 HA PHE 19 HA PHE 19 5.313 7.589 6.060
308 HB2 PHE 19 HB2 PHE 19 5.083 9.538 7.404
309 HB3 PHE 19 HB3 PHE 19 4.194 8.665 8.647
310 HD1 PHE 19 HD1 PHE 19 7.298 7.559 6.968
311 HD2 PHE 19 HD2 PHE 19 5.533 9.091 10.524
312 HE1 PHE 19 HE1 PHE 19 9.401 7.156 8.181
313 HE2 PHE 19 HE2 PHE 19 7.632 8.692 11.743
314 HZ PHE 19 HZ PHE 19 9.570 7.725 10.571
315 H ARG 20 H ARG 20 3.526 6.564 8.976
316 HA ARG 20 HA ARG 20 5.121 4.097 8.989
317 HB2 ARG 20 HB2 ARG 20 3.640 5.589 11.142
318 HB3 ARG 20 HB3 ARG 20 4.135 3.915 11.361
319 HG2 ARG 20 HG2 ARG 20 5.977 6.220 10.764
320 HG3 ARG 20 HG3 ARG 20 5.732 5.475 12.345
321 HD2 ARG 20 HD2 ARG 20 6.478 3.305 11.326
322 HD3 ARG 20 HD3 ARG 20 6.919 4.214 9.881
323 HE ARG 20 HE ARG 20 8.098 5.254 12.281
324 HH11 ARG 20 HH11 ARG 20 8.414 2.893 9.742
325 HH12 ARG 20 HH12 ARG 20 10.132 2.755 9.906
326 HH21 ARG 20 HH21 ARG 20 10.361 5.080 12.507
327 HH22 ARG 20 HH22 ARG 20 11.239 3.997 11.481
328 H ARG 21 H ARG 21 1.856 5.342 8.873
329 HA ARG 21 HA ARG 21 0.485 2.921 9.339
330 HB2 ARG 21 HB2 ARG 21 -0.316 5.462 9.131
331 HB3 ARG 21 HB3 ARG 21 -0.695 4.935 7.496
332 HG2 ARG 21 HG2 ARG 21 -2.613 4.146 8.268
333 HG3 ARG 21 HG3 ARG 21 -1.697 2.935 9.166
334 HD2 ARG 21 HD2 ARG 21 -1.426 5.017 10.831
335 HD3 ARG 21 HD3 ARG 21 -2.973 5.435 10.097
336 HE ARG 21 HE ARG 21 -2.809 2.715 11.022
337 HH11 ARG 21 HH11 ARG 21 -3.564 6.003 11.880
338 HH12 ARG 21 HH12 ARG 21 -4.601 5.559 13.196
339 HH21 ARG 21 HH21 ARG 21 -4.170 2.117 12.752
340 HH22 ARG 21 HH22 ARG 21 -4.944 3.349 13.692
341 H ASN 22 H ASN 22 2.360 3.957 6.715
342 HA ASN 22 HA ASN 22 1.230 1.823 5.026
343 HB2 ASN 22 HB2 ASN 22 1.028 4.375 4.326
344 HB3 ASN 22 HB3 ASN 22 2.679 4.112 3.774
345 HD21 ASN 22 HD21 ASN 22 3.063 2.517 2.173
346 HD22 ASN 22 HD22 ASN 22 1.807 2.036 1.091
347 H PHE 23 H PHE 23 4.172 3.824 5.313
348 HA PHE 23 HA PHE 23 5.792 1.568 4.448
349 HB2 PHE 23 HB2 PHE 23 6.481 4.447 5.058
350 HB3 PHE 23 HB3 PHE 23 7.667 3.240 4.570
351 HD1 PHE 23 HD1 PHE 23 7.444 2.163 2.315
352 HD2 PHE 23 HD2 PHE 23 5.156 5.559 3.476
353 HE1 PHE 23 HE1 PHE 23 6.957 2.638 -0.049
354 HE2 PHE 23 HE2 PHE 23 4.665 6.040 1.114
355 HZ PHE 23 HZ PHE 23 5.565 4.578 -0.653
356 H GLY 24 H GLY 24 4.408 2.029 7.204
357 HA2 GLY 24 HA2 GLY 24 6.810 1.592 8.863
358 HA3 GLY 24 HA3 GLY 24 5.280 2.212 9.465
359 H TYR 25 H TYR 25 3.966 0.104 7.650
360 HA TYR 25 HA TYR 25 3.785 -1.907 9.702
361 HB2 TYR 25 HB2 TYR 25 2.235 -1.088 7.392
362 HB3 TYR 25 HB3 TYR 25 2.411 -2.837 7.454
363 HD1 TYR 25 HD1 TYR 25 0.994 0.106 9.099
364 HD2 TYR 25 HD2 TYR 25 1.448 -4.120 9.289
365 HE1 TYR 25 HE1 TYR 25 -0.791 -0.004 10.788
366 HE2 TYR 25 HE2 TYR 25 -0.336 -4.242 10.978
367 HH TYR 25 HH TYR 25 -1.507 -1.538 12.611
368 H THR 26 H THR 26 5.748 -1.409 7.005
369 HA THR 26 HA THR 26 6.245 -4.260 6.577
370 HB THR 26 HB THR 26 6.805 -1.792 5.025
371 HG1 THR 26 HG1 THR 26 5.562 -2.880 3.712
372 HG21 THR 26 HG21 THR 26 9.060 -2.608 5.312
373 HG22 THR 26 HG22 THR 26 8.520 -2.981 3.675
374 HG23 THR 26 HG23 THR 26 8.557 -4.247 4.902
375 H LEU 27 H LEU 27 8.129 -1.300 7.220
376 HA LEU 27 HA LEU 27 10.505 -2.733 7.876
377 HB2 LEU 27 HB2 LEU 27 9.893 -0.129 7.269
378 HB3 LEU 27 HB3 LEU 27 10.262 -0.042 8.990
379 HG LEU 27 HG LEU 27 12.080 -0.985 6.777
380 HD11 LEU 27 HD11 LEU 27 12.234 1.302 6.744
381 HD12 LEU 27 HD12 LEU 27 13.466 0.907 7.940
382 HD13 LEU 27 HD13 LEU 27 11.877 1.463 8.463
383 HD21 LEU 27 HD21 LEU 27 12.385 -2.399 8.733
384 HD22 LEU 27 HD22 LEU 27 12.542 -0.972 9.758
385 HD23 LEU 27 HD23 LEU 27 13.760 -1.313 8.529
386 H ARG 28 H ARG 28 7.678 -2.613 9.476
387 HA ARG 28 HA ARG 28 8.253 -1.966 12.113
388 HB2 ARG 28 HB2 ARG 28 5.987 -2.415 11.375
389 HB3 ARG 28 HB3 ARG 28 6.397 -4.088 11.026
390 HG2 ARG 28 HG2 ARG 28 6.791 -4.494 13.400
391 HG3 ARG 28 HG3 ARG 28 6.393 -2.812 13.753
392 HD2 ARG 28 HD2 ARG 28 4.163 -3.127 13.423
393 HD3 ARG 28 HD3 ARG 28 4.410 -4.385 12.212
394 HE ARG 28 HE ARG 28 4.142 -4.739 15.058
395 HH11 ARG 28 HH11 ARG 28 5.319 -6.111 12.083
396 HH12 ARG 28 HH12 ARG 28 5.277 -7.742 12.667
397 HH21 ARG 28 HH21 ARG 28 4.082 -6.882 15.838
398 HH22 ARG 28 HH22 ARG 28 4.573 -8.179 14.802
Start of MODEL 12
1 H1 VAL 1 H VAL 1 -0.696 3.026 -2.147
2 HA VAL 1 HA VAL 1 0.433 4.395 -4.455
3 HB VAL 1 HB VAL 1 0.806 6.476 -3.051
4 HG11 VAL 1 HG11 VAL 1 -1.166 5.821 -4.806
5 HG12 VAL 1 HG12 VAL 1 -2.101 6.362 -3.410
6 HG13 VAL 1 HG13 VAL 1 -0.905 7.433 -4.142
7 HG21 VAL 1 HG21 VAL 1 -0.030 5.114 -0.962
8 HG22 VAL 1 HG22 VAL 1 -0.330 6.847 -1.093
9 HG23 VAL 1 HG23 VAL 1 -1.608 5.700 -1.488
10 H ALA 2 H ALA 2 1.828 2.465 -3.930
11 HA ALA 2 HA ALA 2 3.826 3.203 -1.890
12 HB1 ALA 2 HB1 ALA 2 2.487 1.117 -1.422
13 HB2 ALA 2 HB2 ALA 2 3.283 0.394 -2.821
14 HB3 ALA 2 HB3 ALA 2 4.240 0.917 -1.436
15 H ARG 3 H ARG 3 4.687 4.487 -3.748
16 HA ARG 3 HA ARG 3 6.350 2.789 -5.491
17 HB2 ARG 3 HB2 ARG 3 5.899 5.563 -6.362
18 HB3 ARG 3 HB3 ARG 3 5.886 4.071 -7.294
19 HG2 ARG 3 HG2 ARG 3 3.630 3.586 -6.483
20 HG3 ARG 3 HG3 ARG 3 3.645 5.091 -5.561
21 HD2 ARG 3 HD2 ARG 3 2.928 6.190 -7.350
22 HD3 ARG 3 HD3 ARG 3 4.379 5.705 -8.228
23 HE ARG 3 HE ARG 3 2.754 3.535 -8.410
24 HH11 ARG 3 HH11 ARG 3 2.381 6.916 -9.153
25 HH12 ARG 3 HH12 ARG 3 1.259 6.643 -10.444
26 HH21 ARG 3 HH21 ARG 3 1.277 3.162 -10.107
27 HH22 ARG 3 HH22 ARG 3 0.630 4.507 -10.985
28 H GLY 4 H GLY 4 6.301 5.108 -3.029
29 HA2 GLY 4 HA2 GLY 4 8.801 6.389 -3.640
30 HA3 GLY 4 HA3 GLY 4 7.904 6.513 -2.133
31 H TRP 5 H TRP 5 7.970 3.377 -2.329
32 HA TRP 5 HA TRP 5 10.657 3.118 -1.143
33 HB2 TRP 5 HB2 TRP 5 7.997 2.088 -0.256
34 HB3 TRP 5 HB3 TRP 5 9.425 1.105 0.065
35 HD1 TRP 5 HD1 TRP 5 9.677 4.910 0.240
36 HE1 TRP 5 HE1 TRP 5 10.082 5.601 2.687
37 HE3 TRP 5 HE3 TRP 5 8.998 0.369 2.490
38 HZ2 TRP 5 HZ2 TRP 5 10.110 4.382 5.233
39 HZ3 TRP 5 HZ3 TRP 5 9.232 0.217 4.934
40 HH2 TRP 5 HH2 TRP 5 9.777 2.183 6.275
41 H LYS 6 H LYS 6 8.401 1.949 -3.447
42 HA LYS 6 HA LYS 6 9.771 -0.577 -3.851
43 HB2 LYS 6 HB2 LYS 6 7.435 -0.723 -4.155
44 HB3 LYS 6 HB3 LYS 6 7.386 0.739 -5.130
45 HG2 LYS 6 HG2 LYS 6 9.061 -1.352 -6.276
46 HG3 LYS 6 HG3 LYS 6 7.372 -1.826 -6.083
47 HD2 LYS 6 HD2 LYS 6 7.556 0.853 -7.120
48 HD3 LYS 6 HD3 LYS 6 8.483 -0.263 -8.125
49 HE2 LYS 6 HE2 LYS 6 6.615 -1.548 -8.637
50 HE3 LYS 6 HE3 LYS 6 5.707 -0.957 -7.246
51 HZ1 LYS 6 HZ1 LYS 6 6.178 0.344 -9.839
52 HZ2 LYS 6 HZ2 LYS 6 5.896 1.299 -8.472
53 HZ3 LYS 6 HZ3 LYS 6 4.736 0.175 -8.973
54 H ARG 7 H ARG 7 9.421 2.542 -5.459
55 HA ARG 7 HA ARG 7 11.044 1.744 -7.709
56 HB2 ARG 7 HB2 ARG 7 10.230 4.551 -6.960
57 HB3 ARG 7 HB3 ARG 7 10.692 3.951 -8.547
58 HG2 ARG 7 HG2 ARG 7 8.236 3.047 -7.064
59 HG3 ARG 7 HG3 ARG 7 8.253 4.351 -8.253
60 HD2 ARG 7 HD2 ARG 7 9.142 1.521 -8.799
61 HD3 ARG 7 HD3 ARG 7 7.538 2.152 -9.173
62 HE ARG 7 HE ARG 7 9.364 3.853 -10.375
63 HH11 ARG 7 HH11 ARG 7 8.440 0.502 -10.582
64 HH12 ARG 7 HH12 ARG 7 8.856 0.356 -12.258
65 HH21 ARG 7 HH21 ARG 7 9.916 3.673 -12.581
66 HH22 ARG 7 HH22 ARG 7 9.697 2.160 -13.393
67 H LYS 8 H LYS 8 11.589 2.952 -4.574
68 HA LYS 8 HA LYS 8 14.090 4.265 -5.166
69 HB2 LYS 8 HB2 LYS 8 12.498 3.702 -2.704
70 HB3 LYS 8 HB3 LYS 8 14.212 4.061 -2.528
71 HG2 LYS 8 HG2 LYS 8 12.774 6.043 -2.270
72 HG3 LYS 8 HG3 LYS 8 13.927 6.196 -3.598
73 HD2 LYS 8 HD2 LYS 8 12.270 5.910 -5.223
74 HD3 LYS 8 HD3 LYS 8 11.132 5.211 -4.069
75 HE2 LYS 8 HE2 LYS 8 10.600 7.273 -3.152
76 HE3 LYS 8 HE3 LYS 8 12.091 8.023 -3.720
77 HZ1 LYS 8 HZ1 LYS 8 11.268 8.201 -5.874
78 HZ2 LYS 8 HZ2 LYS 8 9.940 8.616 -4.912
79 HZ3 LYS 8 HZ3 LYS 8 10.029 7.079 -5.614
80 H CYS 9 H CYS 9 15.758 3.049 -5.786
81 HA CYS 9 HA CYS 9 16.110 0.375 -4.676
82 HB2 CYS 9 HB2 CYS 9 16.909 1.750 -7.125
83 HB3 CYS 9 HB3 CYS 9 18.223 0.828 -6.406
84 HG CYS 9 HG CYS 9 16.980 -0.704 -8.408
85 HA PRO 10 HA PRO 10 20.351 2.318 -3.500
86 HB2 PRO 10 HB2 PRO 10 20.754 4.942 -4.068
87 HB3 PRO 10 HB3 PRO 10 21.131 3.644 -5.206
88 HG2 PRO 10 HG2 PRO 10 18.730 5.427 -5.095
89 HG3 PRO 10 HG3 PRO 10 19.675 4.910 -6.504
90 HD2 PRO 10 HD2 PRO 10 17.312 3.769 -5.837
91 HD3 PRO 10 HD3 PRO 10 18.625 2.861 -6.614
92 H LEU 11 H LEU 11 17.342 3.890 -3.068
93 HA LEU 11 HA LEU 11 18.153 5.432 -0.760
94 HB2 LEU 11 HB2 LEU 11 15.799 5.202 -2.455
95 HB3 LEU 11 HB3 LEU 11 15.394 5.323 -0.744
96 HG LEU 11 HG LEU 11 16.957 7.311 -2.389
97 HD11 LEU 11 HD11 LEU 11 14.798 7.829 -2.873
98 HD12 LEU 11 HD12 LEU 11 14.955 8.708 -1.352
99 HD13 LEU 11 HD13 LEU 11 14.174 7.127 -1.380
100 HD21 LEU 11 HD21 LEU 11 17.909 8.007 -0.511
101 HD22 LEU 11 HD22 LEU 11 17.048 6.785 0.424
102 HD23 LEU 11 HD23 LEU 11 16.307 8.361 0.138
103 H PHE 12 H PHE 12 15.423 3.177 -1.024
104 HA PHE 12 HA PHE 12 16.285 1.979 1.527
105 HB2 PHE 12 HB2 PHE 12 14.128 3.421 1.452
106 HB3 PHE 12 HB3 PHE 12 13.419 2.037 0.626
107 HD1 PHE 12 HD1 PHE 12 12.020 0.914 2.054
108 HD2 PHE 12 HD2 PHE 12 15.752 2.344 3.521
109 HE1 PHE 12 HE1 PHE 12 11.572 -0.153 4.225
110 HE2 PHE 12 HE2 PHE 12 15.309 1.278 5.694
111 HZ PHE 12 HZ PHE 12 13.218 0.027 6.049
112 H GLY 13 H GLY 13 15.657 1.442 -1.741
113 HA2 GLY 13 HA2 GLY 13 14.644 -1.197 -1.686
114 HA3 GLY 13 HA3 GLY 13 15.490 -0.449 -3.033
115 H LYS 14 H LYS 14 17.449 -1.194 -3.539
116 HA LYS 14 HA LYS 14 18.547 -3.391 -2.071
117 HB2 LYS 14 HB2 LYS 14 20.027 -1.937 -4.237
118 HB3 LYS 14 HB3 LYS 14 20.041 -3.652 -3.846
119 HG2 LYS 14 HG2 LYS 14 17.811 -2.118 -5.162
120 HG3 LYS 14 HG3 LYS 14 18.870 -3.314 -5.914
121 HD2 LYS 14 HD2 LYS 14 17.941 -4.849 -3.981
122 HD3 LYS 14 HD3 LYS 14 16.602 -3.700 -4.021
123 HE2 LYS 14 HE2 LYS 14 15.906 -5.312 -5.524
124 HE3 LYS 14 HE3 LYS 14 16.656 -4.117 -6.581
125 HZ1 LYS 14 HZ1 LYS 14 18.751 -5.600 -6.165
126 HZ2 LYS 14 HZ2 LYS 14 17.615 -6.023 -7.345
127 HZ3 LYS 14 HZ3 LYS 14 17.595 -6.791 -5.837
128 H GLY 15 H GLY 15 18.917 -0.005 -1.935
129 HA2 GLY 15 HA2 GLY 15 21.567 -0.170 -0.702
130 HA3 GLY 15 HA3 GLY 15 20.722 1.305 -1.147
131 H GLY 16 H GLY 16 19.738 -1.470 0.859
132 HA2 GLY 16 HA2 GLY 16 18.613 0.298 2.832
133 HA3 GLY 16 HA3 GLY 16 18.664 -1.457 2.908
134 H1 LYS 1 H LYS 1 16.761 7.489 5.244
135 HA LYS 1 HA LYS 1 17.321 4.692 5.985
136 HB2 LYS 1 HB2 LYS 1 15.957 6.869 7.569
137 HB3 LYS 1 HB3 LYS 1 15.855 5.167 8.000
138 HG2 LYS 1 HG2 LYS 1 18.579 5.685 7.658
139 HG3 LYS 1 HG3 LYS 1 17.936 7.069 8.543
140 HD2 LYS 1 HD2 LYS 1 16.774 5.295 10.017
141 HD3 LYS 1 HD3 LYS 1 17.933 4.169 9.308
142 HE2 LYS 1 HE2 LYS 1 19.716 5.877 10.010
143 HE3 LYS 1 HE3 LYS 1 18.455 6.575 11.025
144 HZ1 LYS 1 HZ1 LYS 1 18.956 5.059 12.539
145 HZ2 LYS 1 HZ2 LYS 1 20.051 4.294 11.501
146 HZ3 LYS 1 HZ3 LYS 1 18.420 3.845 11.488
147 H TYR 2 H TYR 2 14.338 5.901 7.017
148 HA TYR 2 HA TYR 2 12.973 4.683 4.707
149 HB2 TYR 2 HB2 TYR 2 11.211 4.417 6.822
150 HB3 TYR 2 HB3 TYR 2 12.221 3.140 6.153
151 HD1 TYR 2 HD1 TYR 2 14.300 2.482 7.277
152 HD2 TYR 2 HD2 TYR 2 11.724 5.427 8.947
153 HE1 TYR 2 HE1 TYR 2 15.450 2.252 9.439
154 HE2 TYR 2 HE2 TYR 2 12.867 5.207 11.114
155 HH TYR 2 HH TYR 2 14.828 2.674 11.907
156 H GLU 3 H GLU 3 12.520 6.897 7.459
157 HA GLU 3 HA GLU 3 10.173 8.116 6.627
158 HB2 GLU 3 HB2 GLU 3 10.882 10.044 8.015
159 HB3 GLU 3 HB3 GLU 3 11.065 8.501 8.838
160 HG2 GLU 3 HG2 GLU 3 13.516 8.737 7.777
161 HG3 GLU 3 HG3 GLU 3 13.104 10.440 7.964
162 H ILE 4 H ILE 4 13.526 8.967 5.852
163 HA ILE 4 HA ILE 4 12.792 11.206 4.224
164 HB ILE 4 HB ILE 4 15.086 11.444 3.711
165 HG12 ILE 4 HG12 ILE 4 16.532 9.345 4.715
166 HG13 ILE 4 HG13 ILE 4 15.115 8.524 4.071
167 HG21 ILE 4 HG21 ILE 4 16.188 11.263 5.917
168 HG22 ILE 4 HG22 ILE 4 14.583 11.987 6.003
169 HG23 ILE 4 HG23 ILE 4 14.820 10.308 6.490
170 HD11 ILE 4 HD11 ILE 4 15.822 10.284 2.067
171 HD12 ILE 4 HD12 ILE 4 17.364 9.697 2.689
172 HD13 ILE 4 HD13 ILE 4 16.152 8.553 2.115
173 H THR 5 H THR 5 12.252 8.057 3.733
174 HA THR 5 HA THR 5 12.864 8.128 0.858
175 HB THR 5 HB THR 5 12.089 5.742 2.547
176 HG1 THR 5 HG1 THR 5 14.149 6.350 3.130
177 HG21 THR 5 HG21 THR 5 11.540 5.681 0.080
178 HG22 THR 5 HG22 THR 5 12.605 4.399 0.657
179 HG23 THR 5 HG23 THR 5 13.275 5.773 -0.223
180 H THR 6 H THR 6 10.298 8.063 3.177
181 HA THR 6 HA THR 6 8.334 7.861 0.985
182 HB THR 6 HB THR 6 7.845 6.008 2.307
183 HG1 THR 6 HG1 THR 6 6.241 7.820 3.740
184 HG21 THR 6 HG21 THR 6 9.028 5.933 4.228
185 HG22 THR 6 HG22 THR 6 7.570 6.623 4.940
186 HG23 THR 6 HG23 THR 6 8.911 7.673 4.485
187 H ILE 7 H ILE 7 9.737 9.925 3.186
188 HA ILE 7 HA ILE 7 7.400 11.722 3.114
189 HB ILE 7 HB ILE 7 9.515 11.831 5.252
190 HG12 ILE 7 HG12 ILE 7 6.873 10.358 5.341
191 HG13 ILE 7 HG13 ILE 7 8.468 9.615 5.349
192 HG21 ILE 7 HG21 ILE 7 7.339 13.477 4.527
193 HG22 ILE 7 HG22 ILE 7 6.919 12.697 6.052
194 HG23 ILE 7 HG23 ILE 7 8.407 13.633 5.921
195 HD11 ILE 7 HD11 ILE 7 6.926 10.419 7.545
196 HD12 ILE 7 HD12 ILE 7 8.573 9.788 7.548
197 HD13 ILE 7 HD13 ILE 7 8.295 11.528 7.464
198 H HIS 8 H HIS 8 10.265 11.225 1.731
199 HA HIS 8 HA HIS 8 10.912 14.097 1.583
200 HB2 HIS 8 HB2 HIS 8 12.598 12.160 2.460
201 HB3 HIS 8 HB3 HIS 8 12.978 12.158 0.741
202 HD1 HIS 8 HD1 HIS 8 12.228 15.135 2.981
203 HD2 HIS 8 HD2 HIS 8 15.288 13.579 0.642
204 HE1 HIS 8 HE1 HIS 8 14.042 16.877 2.999
205 H ASN 9 H ASN 9 9.970 11.287 -0.121
206 HA ASN 9 HA ASN 9 10.899 12.007 -2.708
207 HB2 ASN 9 HB2 ASN 9 9.011 10.370 -3.414
208 HB3 ASN 9 HB3 ASN 9 10.378 9.740 -2.498
209 HD21 ASN 9 HD21 ASN 9 7.088 9.801 -2.730
210 HD22 ASN 9 HD22 ASN 9 6.684 9.289 -1.129
211 H LEU 10 H LEU 10 7.560 11.970 -1.444
212 HA LEU 10 HA LEU 10 7.018 14.359 -3.080
213 HB2 LEU 10 HB2 LEU 10 4.995 13.521 -3.832
214 HB3 LEU 10 HB3 LEU 10 6.068 12.126 -3.919
215 HG LEU 10 HG LEU 10 4.921 11.917 -1.408
216 HD11 LEU 10 HD11 LEU 10 2.835 12.786 -3.405
217 HD12 LEU 10 HD12 LEU 10 3.301 13.647 -1.938
218 HD13 LEU 10 HD13 LEU 10 2.510 12.074 -1.824
219 HD21 LEU 10 HD21 LEU 10 5.358 10.303 -3.475
220 HD22 LEU 10 HD22 LEU 10 3.623 10.540 -3.690
221 HD23 LEU 10 HD23 LEU 10 4.243 9.888 -2.173
222 H PHE 11 H PHE 11 7.233 13.161 -0.037
223 HA PHE 11 HA PHE 11 5.144 14.966 0.993
224 HB2 PHE 11 HB2 PHE 11 6.002 12.270 1.792
225 HB3 PHE 11 HB3 PHE 11 5.817 13.396 3.133
226 HD1 PHE 11 HD1 PHE 11 3.944 12.289 4.115
227 HD2 PHE 11 HD2 PHE 11 3.811 13.592 0.066
228 HE1 PHE 11 HE1 PHE 11 1.511 11.928 4.083
229 HE2 PHE 11 HE2 PHE 11 1.377 13.234 0.027
230 HZ PHE 11 HZ PHE 11 0.224 12.402 2.038
231 H ARG 12 H ARG 12 7.969 15.534 0.193
232 HA ARG 12 HA ARG 12 9.729 15.846 2.269
233 HB2 ARG 12 HB2 ARG 12 10.597 17.838 1.041
234 HB3 ARG 12 HB3 ARG 12 10.374 16.418 0.027
235 HG2 ARG 12 HG2 ARG 12 8.112 17.429 -0.588
236 HG3 ARG 12 HG3 ARG 12 8.726 18.919 0.134
237 HD2 ARG 12 HD2 ARG 12 9.678 19.372 -1.825
238 HD3 ARG 12 HD3 ARG 12 10.777 18.027 -1.524
239 HE ARG 12 HE ARG 12 9.709 16.867 -3.168
240 HH11 ARG 12 HH11 ARG 12 7.593 19.391 -2.039
241 HH12 ARG 12 HH12 ARG 12 6.373 19.080 -3.229
242 HH21 ARG 12 HH21 ARG 12 8.110 16.448 -4.739
243 HH22 ARG 12 HH22 ARG 12 6.668 17.405 -4.764
244 H LYS 13 H LYS 13 6.905 17.798 1.516
245 HA LYS 13 HA LYS 13 7.335 19.276 4.031
246 HB2 LYS 13 HB2 LYS 13 6.087 20.222 1.448
247 HB3 LYS 13 HB3 LYS 13 5.979 21.111 2.962
248 HG2 LYS 13 HG2 LYS 13 8.232 21.640 2.964
249 HG3 LYS 13 HG3 LYS 13 8.644 20.325 1.861
250 HD2 LYS 13 HD2 LYS 13 8.568 21.790 0.188
251 HD3 LYS 13 HD3 LYS 13 6.832 21.947 0.469
252 HE2 LYS 13 HE2 LYS 13 7.665 23.596 2.366
253 HE3 LYS 13 HE3 LYS 13 9.070 23.717 1.308
254 HZ1 LYS 13 HZ1 LYS 13 6.252 24.277 0.557
255 HZ2 LYS 13 HZ2 LYS 13 7.560 24.309 -0.514
256 HZ3 LYS 13 HZ3 LYS 13 7.483 25.420 0.761
257 H LEU 14 H LEU 14 5.733 16.776 3.052
258 HA LEU 14 HA LEU 14 3.206 17.570 4.344
259 HB2 LEU 14 HB2 LEU 14 3.737 15.980 1.903
260 HB3 LEU 14 HB3 LEU 14 2.431 15.426 2.951
261 HG LEU 14 HG LEU 14 1.691 16.865 1.061
262 HD11 LEU 14 HD11 LEU 14 0.007 17.030 2.517
263 HD12 LEU 14 HD12 LEU 14 0.665 18.621 2.898
264 HD13 LEU 14 HD13 LEU 14 1.094 17.229 3.892
265 HD21 LEU 14 HD21 LEU 14 3.824 18.356 1.413
266 HD22 LEU 14 HD22 LEU 14 2.762 19.238 2.510
267 HD23 LEU 14 HD23 LEU 14 2.320 19.055 0.812
268 H THR 15 H THR 15 2.922 16.631 6.244
269 HA THR 15 HA THR 15 4.082 13.956 6.684
270 HB THR 15 HB THR 15 3.885 14.914 9.211
271 HG1 THR 15 HG1 THR 15 4.759 17.129 7.647
272 HG21 THR 15 HG21 THR 15 6.027 14.610 7.233
273 HG22 THR 15 HG22 THR 15 5.942 14.058 8.906
274 HG23 THR 15 HG23 THR 15 6.413 15.719 8.549
275 H HIS 16 H HIS 16 2.376 12.619 6.529
276 HA HIS 16 HA HIS 16 -0.064 13.313 8.026
277 HB2 HIS 16 HB2 HIS 16 0.243 11.393 5.708
278 HB3 HIS 16 HB3 HIS 16 -1.264 11.786 6.530
279 HD1 HIS 16 HD1 HIS 16 -1.370 12.291 3.646
280 HD2 HIS 16 HD2 HIS 16 0.186 15.113 6.268
281 HE1 HIS 16 HE1 HIS 16 -1.530 14.491 2.438
282 H ARG 17 H ARG 17 -0.420 10.218 7.149
283 HA ARG 17 HA ARG 17 0.848 9.169 9.593
284 HB2 ARG 17 HB2 ARG 17 -1.066 7.817 10.045
285 HB3 ARG 17 HB3 ARG 17 -1.645 9.455 9.767
286 HG2 ARG 17 HG2 ARG 17 -1.863 8.500 7.281
287 HG3 ARG 17 HG3 ARG 17 -2.062 6.998 8.186
288 HD2 ARG 17 HD2 ARG 17 -3.941 7.830 9.345
289 HD3 ARG 17 HD3 ARG 17 -3.613 9.488 8.841
290 HE ARG 17 HE ARG 17 -4.117 7.720 6.641
291 HH11 ARG 17 HH11 ARG 17 -5.595 9.717 9.079
292 HH12 ARG 17 HH12 ARG 17 -7.056 9.960 8.180
293 HH21 ARG 17 HH21 ARG 17 -6.034 8.033 5.447
294 HH22 ARG 17 HH22 ARG 17 -7.305 9.001 6.114
295 H LEU 18 H LEU 18 0.119 8.747 6.241
296 HA LEU 18 HA LEU 18 0.479 6.064 5.801
297 HB2 LEU 18 HB2 LEU 18 1.538 6.774 3.610
298 HB3 LEU 18 HB3 LEU 18 -0.079 7.384 3.954
299 HG LEU 18 HG LEU 18 1.124 9.506 4.778
300 HD11 LEU 18 HD11 LEU 18 3.353 9.246 4.858
301 HD12 LEU 18 HD12 LEU 18 3.272 9.600 3.133
302 HD13 LEU 18 HD13 LEU 18 3.346 7.928 3.687
303 HD21 LEU 18 HD21 LEU 18 0.197 8.650 2.243
304 HD22 LEU 18 HD22 LEU 18 1.633 9.641 1.982
305 HD23 LEU 18 HD23 LEU 18 0.266 10.290 2.890
306 H PHE 19 H PHE 19 2.822 8.389 6.829
307 HA PHE 19 HA PHE 19 5.227 7.363 6.050
308 HB2 PHE 19 HB2 PHE 19 5.260 9.338 7.346
309 HB3 PHE 19 HB3 PHE 19 4.383 8.580 8.672
310 HD1 PHE 19 HD1 PHE 19 5.835 8.904 10.471
311 HD2 PHE 19 HD2 PHE 19 7.314 7.239 6.844
312 HE1 PHE 19 HE1 PHE 19 7.967 8.385 11.583
313 HE2 PHE 19 HE2 PHE 19 9.448 6.715 7.951
314 HZ PHE 19 HZ PHE 19 9.776 7.288 10.323
315 H ARG 20 H ARG 20 3.709 6.500 9.163
316 HA ARG 20 HA ARG 20 5.172 3.956 9.081
317 HB2 ARG 20 HB2 ARG 20 4.650 3.831 11.509
318 HB3 ARG 20 HB3 ARG 20 5.606 5.240 11.073
319 HG2 ARG 20 HG2 ARG 20 2.855 5.944 10.928
320 HG3 ARG 20 HG3 ARG 20 3.155 5.143 12.472
321 HD2 ARG 20 HD2 ARG 20 5.270 6.731 12.470
322 HD3 ARG 20 HD3 ARG 20 4.248 7.693 11.401
323 HE ARG 20 HE ARG 20 3.004 8.289 13.217
324 HH11 ARG 20 HH11 ARG 20 4.800 5.409 13.994
325 HH12 ARG 20 HH12 ARG 20 4.314 5.398 15.657
326 HH21 ARG 20 HH21 ARG 20 2.359 8.286 15.404
327 HH22 ARG 20 HH22 ARG 20 2.926 7.035 16.458
328 H ARG 21 H ARG 21 2.016 5.341 8.968
329 HA ARG 21 HA ARG 21 0.563 3.004 9.729
330 HB2 ARG 21 HB2 ARG 21 -0.161 5.545 9.589
331 HB3 ARG 21 HB3 ARG 21 -0.635 5.089 7.958
332 HG2 ARG 21 HG2 ARG 21 -2.522 4.242 8.734
333 HG3 ARG 21 HG3 ARG 21 -1.616 3.114 9.745
334 HD2 ARG 21 HD2 ARG 21 -1.904 4.350 11.611
335 HD3 ARG 21 HD3 ARG 21 -1.764 5.879 10.745
336 HE ARG 21 HE ARG 21 -4.202 4.550 10.126
337 HH11 ARG 21 HH11 ARG 21 -2.620 6.473 12.559
338 HH12 ARG 21 HH12 ARG 21 -4.096 7.127 13.187
339 HH21 ARG 21 HH21 ARG 21 -6.151 5.404 10.944
340 HH22 ARG 21 HH22 ARG 21 -6.105 6.518 12.268
341 H ASN 22 H ASN 22 2.222 3.927 6.913
342 HA ASN 22 HA ASN 22 0.860 1.808 5.385
343 HB2 ASN 22 HB2 ASN 22 1.146 4.540 4.710
344 HB3 ASN 22 HB3 ASN 22 2.227 3.644 3.648
345 HD21 ASN 22 HD21 ASN 22 1.392 2.320 2.097
346 HD22 ASN 22 HD22 ASN 22 -0.292 2.237 1.724
347 H PHE 23 H PHE 23 3.909 3.659 5.484
348 HA PHE 23 HA PHE 23 5.345 1.327 4.480
349 HB2 PHE 23 HB2 PHE 23 6.240 4.167 5.005
350 HB3 PHE 23 HB3 PHE 23 7.291 2.896 4.389
351 HD1 PHE 23 HD1 PHE 23 6.746 1.847 2.170
352 HD2 PHE 23 HD2 PHE 23 4.839 5.382 3.576
353 HE1 PHE 23 HE1 PHE 23 6.039 2.373 -0.127
354 HE2 PHE 23 HE2 PHE 23 4.127 5.914 1.281
355 HZ PHE 23 HZ PHE 23 4.726 4.409 -0.574
356 H GLY 24 H GLY 24 4.218 1.901 7.335
357 HA2 GLY 24 HA2 GLY 24 6.726 1.388 8.803
358 HA3 GLY 24 HA3 GLY 24 5.263 2.054 9.516
359 H TYR 25 H TYR 25 3.801 -0.058 7.783
360 HA TYR 25 HA TYR 25 3.672 -2.025 9.879
361 HB2 TYR 25 HB2 TYR 25 2.008 -1.175 7.700
362 HB3 TYR 25 HB3 TYR 25 2.220 -2.921 7.622
363 HD1 TYR 25 HD1 TYR 25 0.312 -3.934 8.442
364 HD2 TYR 25 HD2 TYR 25 1.896 -0.568 10.507
365 HE1 TYR 25 HE1 TYR 25 -1.383 -4.222 10.200
366 HE2 TYR 25 HE2 TYR 25 0.204 -0.847 12.271
367 HH TYR 25 HH TYR 25 -1.935 -3.623 12.342
368 H THR 26 H THR 26 5.517 -1.621 7.079
369 HA THR 26 HA THR 26 5.893 -4.452 6.562
370 HB THR 26 HB THR 26 6.723 -1.935 5.233
371 HG1 THR 26 HG1 THR 26 5.729 -4.481 4.470
372 HG21 THR 26 HG21 THR 26 8.899 -2.918 5.581
373 HG22 THR 26 HG22 THR 26 8.433 -3.149 3.895
374 HG23 THR 26 HG23 THR 26 8.317 -4.490 5.033
375 H LEU 27 H LEU 27 7.964 -1.719 7.544
376 HA LEU 27 HA LEU 27 10.183 -3.383 8.190
377 HB2 LEU 27 HB2 LEU 27 9.801 -0.698 7.792
378 HB3 LEU 27 HB3 LEU 27 10.067 -0.788 9.532
379 HG LEU 27 HG LEU 27 11.947 -1.663 7.345
380 HD11 LEU 27 HD11 LEU 27 13.422 -0.004 8.606
381 HD12 LEU 27 HD12 LEU 27 11.932 0.559 9.362
382 HD13 LEU 27 HD13 LEU 27 12.123 0.655 7.612
383 HD21 LEU 27 HD21 LEU 27 12.116 -3.295 9.082
384 HD22 LEU 27 HD22 LEU 27 12.121 -2.049 10.329
385 HD23 LEU 27 HD23 LEU 27 13.492 -2.203 9.230
386 H ARG 28 H ARG 28 7.283 -3.166 9.654
387 HA ARG 28 HA ARG 28 7.942 -2.912 12.393
388 HB2 ARG 28 HB2 ARG 28 5.605 -3.185 10.904
389 HB3 ARG 28 HB3 ARG 28 5.661 -4.641 11.889
390 HG2 ARG 28 HG2 ARG 28 6.133 -3.012 13.843
391 HG3 ARG 28 HG3 ARG 28 5.488 -1.787 12.749
392 HD2 ARG 28 HD2 ARG 28 3.493 -2.375 13.579
393 HD3 ARG 28 HD3 ARG 28 3.636 -3.776 12.519
394 HE ARG 28 HE ARG 28 4.885 -4.584 14.777
395 HH11 ARG 28 HH11 ARG 28 1.765 -3.174 14.144
396 HH12 ARG 28 HH12 ARG 28 0.992 -3.965 15.477
397 HH21 ARG 28 HH21 ARG 28 3.879 -5.631 16.536
398 HH22 ARG 28 HH22 ARG 28 2.195 -5.361 16.838
Start of MODEL 13
1 H1 VAL 1 H VAL 1 0.590 -0.665 -0.131
2 HA VAL 1 HA VAL 1 0.687 0.051 -2.832
3 HB VAL 1 HB VAL 1 -0.066 2.368 -1.046
4 HG11 VAL 1 HG11 VAL 1 -0.175 3.550 -3.295
5 HG12 VAL 1 HG12 VAL 1 1.433 3.174 -2.673
6 HG13 VAL 1 HG13 VAL 1 0.722 2.175 -3.940
7 HG21 VAL 1 HG21 VAL 1 -1.687 0.512 -2.525
8 HG22 VAL 1 HG22 VAL 1 -2.184 1.839 -1.475
9 HG23 VAL 1 HG23 VAL 1 -1.864 2.139 -3.183
10 H ALA 2 H ALA 2 2.815 -0.454 -2.813
11 HA ALA 2 HA ALA 2 4.563 1.174 -1.083
12 HB1 ALA 2 HB1 ALA 2 6.100 -0.632 -0.917
13 HB2 ALA 2 HB2 ALA 2 4.501 -1.277 -0.544
14 HB3 ALA 2 HB3 ALA 2 5.223 -1.572 -2.126
15 H ARG 3 H ARG 3 4.346 2.693 -2.955
16 HA ARG 3 HA ARG 3 6.285 1.994 -5.062
17 HB2 ARG 3 HB2 ARG 3 4.468 4.164 -5.752
18 HB3 ARG 3 HB3 ARG 3 4.891 2.721 -6.663
19 HG2 ARG 3 HG2 ARG 3 3.261 1.428 -5.400
20 HG3 ARG 3 HG3 ARG 3 2.851 2.859 -4.453
21 HD2 ARG 3 HD2 ARG 3 1.199 2.564 -6.175
22 HD3 ARG 3 HD3 ARG 3 2.166 3.990 -6.549
23 HE ARG 3 HE ARG 3 2.864 2.956 -8.461
24 HH11 ARG 3 HH11 ARG 3 1.581 0.556 -6.290
25 HH12 ARG 3 HH12 ARG 3 1.686 -0.732 -7.445
26 HH21 ARG 3 HH21 ARG 3 3.008 1.269 -9.989
27 HH22 ARG 3 HH22 ARG 3 2.499 -0.326 -9.547
28 H GLY 4 H GLY 4 5.710 3.902 -2.402
29 HA2 GLY 4 HA2 GLY 4 7.172 6.230 -3.391
30 HA3 GLY 4 HA3 GLY 4 6.406 6.076 -1.817
31 H TRP 5 H TRP 5 7.947 3.266 -2.075
32 HA TRP 5 HA TRP 5 10.450 4.335 -0.944
33 HB2 TRP 5 HB2 TRP 5 8.673 2.103 -0.052
34 HB3 TRP 5 HB3 TRP 5 10.407 1.967 0.232
35 HD1 TRP 5 HD1 TRP 5 9.361 5.510 0.473
36 HE1 TRP 5 HE1 TRP 5 9.161 6.222 2.939
37 HE3 TRP 5 HE3 TRP 5 9.564 0.897 2.669
38 HZ2 TRP 5 HZ2 TRP 5 9.099 4.992 5.478
39 HZ3 TRP 5 HZ3 TRP 5 9.428 0.752 5.122
40 HH2 TRP 5 HH2 TRP 5 9.200 2.758 6.496
41 H LYS 6 H LYS 6 8.963 2.096 -3.132
42 HA LYS 6 HA LYS 6 11.580 0.950 -3.817
43 HB2 LYS 6 HB2 LYS 6 8.755 0.023 -4.234
44 HB3 LYS 6 HB3 LYS 6 10.058 -0.617 -5.226
45 HG2 LYS 6 HG2 LYS 6 9.761 -0.821 -2.241
46 HG3 LYS 6 HG3 LYS 6 9.698 -2.127 -3.425
47 HD2 LYS 6 HD2 LYS 6 12.145 -0.922 -3.896
48 HD3 LYS 6 HD3 LYS 6 11.990 -0.887 -2.138
49 HE2 LYS 6 HE2 LYS 6 13.097 -2.929 -2.902
50 HE3 LYS 6 HE3 LYS 6 11.559 -3.284 -2.115
51 HZ1 LYS 6 HZ1 LYS 6 11.014 -4.411 -3.926
52 HZ2 LYS 6 HZ2 LYS 6 12.395 -3.895 -4.753
53 HZ3 LYS 6 HZ3 LYS 6 10.985 -2.960 -4.795
54 H ARG 7 H ARG 7 8.622 2.076 -5.469
55 HA ARG 7 HA ARG 7 9.895 2.373 -7.987
56 HB2 ARG 7 HB2 ARG 7 7.339 2.202 -7.292
57 HB3 ARG 7 HB3 ARG 7 7.460 3.956 -7.315
58 HG2 ARG 7 HG2 ARG 7 7.245 3.964 -9.514
59 HG3 ARG 7 HG3 ARG 7 8.670 2.937 -9.679
60 HD2 ARG 7 HD2 ARG 7 7.438 1.013 -9.829
61 HD3 ARG 7 HD3 ARG 7 6.104 1.667 -8.879
62 HE ARG 7 HE ARG 7 6.041 3.134 -11.159
63 HH11 ARG 7 HH11 ARG 7 6.054 -0.282 -10.487
64 HH12 ARG 7 HH12 ARG 7 5.135 -0.695 -11.897
65 HH21 ARG 7 HH21 ARG 7 4.831 2.603 -13.018
66 HH22 ARG 7 HH22 ARG 7 4.441 0.947 -13.337
67 H LYS 8 H LYS 8 8.932 4.711 -5.489
68 HA LYS 8 HA LYS 8 9.741 7.043 -6.760
69 HB2 LYS 8 HB2 LYS 8 9.054 6.229 -4.066
70 HB3 LYS 8 HB3 LYS 8 10.346 7.423 -4.055
71 HG2 LYS 8 HG2 LYS 8 8.188 8.501 -3.882
72 HG3 LYS 8 HG3 LYS 8 8.966 8.923 -5.410
73 HD2 LYS 8 HD2 LYS 8 7.493 6.633 -5.978
74 HD3 LYS 8 HD3 LYS 8 6.445 7.585 -4.925
75 HE2 LYS 8 HE2 LYS 8 7.029 9.560 -6.448
76 HE3 LYS 8 HE3 LYS 8 7.642 8.346 -7.571
77 HZ1 LYS 8 HZ1 LYS 8 4.961 9.122 -7.062
78 HZ2 LYS 8 HZ2 LYS 8 5.150 7.461 -6.802
79 HZ3 LYS 8 HZ3 LYS 8 5.572 8.136 -8.295
80 H CYS 9 H CYS 9 11.599 5.730 -4.035
81 HA CYS 9 HA CYS 9 14.060 6.308 -5.549
82 HB2 CYS 9 HB2 CYS 9 13.198 7.486 -3.153
83 HB3 CYS 9 HB3 CYS 9 14.455 6.349 -2.684
84 HG CYS 9 HG CYS 9 15.396 9.053 -3.058
85 HA PRO 10 HA PRO 10 14.690 1.937 -4.919
86 HB2 PRO 10 HB2 PRO 10 17.058 1.817 -6.242
87 HB3 PRO 10 HB3 PRO 10 15.499 1.899 -7.070
88 HG2 PRO 10 HG2 PRO 10 17.464 4.087 -6.510
89 HG3 PRO 10 HG3 PRO 10 16.545 3.759 -7.991
90 HD2 PRO 10 HD2 PRO 10 15.809 5.663 -6.211
91 HD3 PRO 10 HD3 PRO 10 14.630 4.747 -7.172
92 H LEU 11 H LEU 11 15.351 3.776 -2.788
93 HA LEU 11 HA LEU 11 18.032 2.925 -1.969
94 HB2 LEU 11 HB2 LEU 11 16.200 5.133 -1.202
95 HB3 LEU 11 HB3 LEU 11 17.316 4.529 0.021
96 HG LEU 11 HG LEU 11 18.568 5.150 -2.561
97 HD11 LEU 11 HD11 LEU 11 16.725 7.028 -1.423
98 HD12 LEU 11 HD12 LEU 11 17.708 7.167 -2.880
99 HD13 LEU 11 HD13 LEU 11 18.370 7.655 -1.319
100 HD21 LEU 11 HD21 LEU 11 19.448 6.463 -0.093
101 HD22 LEU 11 HD22 LEU 11 20.359 5.501 -1.258
102 HD23 LEU 11 HD23 LEU 11 19.403 4.701 -0.009
103 H PHE 12 H PHE 12 14.742 3.121 -0.611
104 HA PHE 12 HA PHE 12 15.126 1.742 1.733
105 HB2 PHE 12 HB2 PHE 12 13.007 2.753 1.339
106 HB3 PHE 12 HB3 PHE 12 12.747 1.804 -0.121
107 HD1 PHE 12 HD1 PHE 12 13.160 1.459 3.557
108 HD2 PHE 12 HD2 PHE 12 11.527 -0.161 -0.025
109 HE1 PHE 12 HE1 PHE 12 11.946 -0.226 4.876
110 HE2 PHE 12 HE2 PHE 12 10.311 -1.850 1.290
111 HZ PHE 12 HZ PHE 12 10.519 -1.882 3.743
112 H GLY 13 H GLY 13 14.831 0.471 -1.522
113 HA2 GLY 13 HA2 GLY 13 14.935 -2.276 -0.491
114 HA3 GLY 13 HA3 GLY 13 14.542 -1.812 -2.141
115 H LYS 14 H LYS 14 16.243 -1.184 -3.558
116 HA LYS 14 HA LYS 14 18.489 -2.793 -3.506
117 HB2 LYS 14 HB2 LYS 14 18.340 -0.100 -4.865
118 HB3 LYS 14 HB3 LYS 14 19.344 -1.468 -5.326
119 HG2 LYS 14 HG2 LYS 14 16.344 -1.287 -5.490
120 HG3 LYS 14 HG3 LYS 14 17.489 -1.309 -6.834
121 HD2 LYS 14 HD2 LYS 14 18.231 -3.585 -5.816
122 HD3 LYS 14 HD3 LYS 14 16.663 -3.532 -5.007
123 HE2 LYS 14 HE2 LYS 14 15.998 -4.586 -6.897
124 HE3 LYS 14 HE3 LYS 14 15.884 -2.932 -7.495
125 HZ1 LYS 14 HZ1 LYS 14 18.207 -3.213 -8.319
126 HZ2 LYS 14 HZ2 LYS 14 17.065 -4.188 -9.097
127 HZ3 LYS 14 HZ3 LYS 14 18.097 -4.857 -7.934
128 H GLY 15 H GLY 15 18.185 0.596 -2.483
129 HA2 GLY 15 HA2 GLY 15 20.819 1.169 -1.896
130 HA3 GLY 15 HA3 GLY 15 19.450 1.834 -1.018
131 H GLY 16 H GLY 16 18.509 -0.675 0.029
132 HA2 GLY 16 HA2 GLY 16 20.525 -1.003 2.137
133 HA3 GLY 16 HA3 GLY 16 18.821 -1.414 2.268
134 H1 LYS 1 H LYS 1 17.932 2.250 6.116
135 HA LYS 1 HA LYS 1 17.666 5.108 6.785
136 HB2 LYS 1 HB2 LYS 1 19.163 3.690 4.665
137 HB3 LYS 1 HB3 LYS 1 18.317 5.145 4.156
138 HG2 LYS 1 HG2 LYS 1 20.367 5.990 4.732
139 HG3 LYS 1 HG3 LYS 1 19.470 6.208 6.237
140 HD2 LYS 1 HD2 LYS 1 20.583 4.490 7.302
141 HD3 LYS 1 HD3 LYS 1 20.991 3.677 5.791
142 HE2 LYS 1 HE2 LYS 1 22.886 4.860 5.526
143 HE3 LYS 1 HE3 LYS 1 22.147 6.358 6.091
144 HZ1 LYS 1 HZ1 LYS 1 22.592 5.843 8.289
145 HZ2 LYS 1 HZ2 LYS 1 23.982 5.292 7.498
146 HZ3 LYS 1 HZ3 LYS 1 22.793 4.191 7.985
147 H TYR 2 H TYR 2 15.463 5.260 6.928
148 HA TYR 2 HA TYR 2 13.941 4.536 4.510
149 HB2 TYR 2 HB2 TYR 2 11.978 4.716 6.303
150 HB3 TYR 2 HB3 TYR 2 12.887 3.227 6.066
151 HD1 TYR 2 HD1 TYR 2 12.218 6.016 8.320
152 HD2 TYR 2 HD2 TYR 2 14.561 2.517 7.710
153 HE1 TYR 2 HE1 TYR 2 12.851 6.034 10.697
154 HE2 TYR 2 HE2 TYR 2 15.200 2.525 10.085
155 HH TYR 2 HH TYR 2 13.659 4.060 12.400
156 H GLU 3 H GLU 3 14.228 6.891 7.146
157 HA GLU 3 HA GLU 3 12.339 8.740 6.381
158 HB2 GLU 3 HB2 GLU 3 13.977 10.453 7.381
159 HB3 GLU 3 HB3 GLU 3 13.399 9.159 8.421
160 HG2 GLU 3 HG2 GLU 3 15.435 8.059 8.406
161 HG3 GLU 3 HG3 GLU 3 15.968 8.857 6.927
162 H ILE 4 H ILE 4 15.322 7.951 4.837
163 HA ILE 4 HA ILE 4 15.608 10.366 3.341
164 HB ILE 4 HB ILE 4 17.272 9.183 2.036
165 HG12 ILE 4 HG12 ILE 4 17.628 6.688 2.978
166 HG13 ILE 4 HG13 ILE 4 15.880 6.807 3.152
167 HG21 ILE 4 HG21 ILE 4 17.311 8.752 5.003
168 HG22 ILE 4 HG22 ILE 4 18.669 8.268 3.988
169 HG23 ILE 4 HG23 ILE 4 18.169 9.958 4.044
170 HD11 ILE 4 HD11 ILE 4 16.276 7.759 0.624
171 HD12 ILE 4 HD12 ILE 4 17.509 6.505 0.760
172 HD13 ILE 4 HD13 ILE 4 15.814 6.109 1.042
173 H THR 5 H THR 5 13.411 7.856 3.155
174 HA THR 5 HA THR 5 12.838 8.465 0.329
175 HB THR 5 HB THR 5 13.581 6.153 0.527
176 HG1 THR 5 HG1 THR 5 12.098 5.769 -0.921
177 HG21 THR 5 HG21 THR 5 11.558 6.091 2.722
178 HG22 THR 5 HG22 THR 5 13.185 5.412 2.673
179 HG23 THR 5 HG23 THR 5 11.871 4.621 1.801
180 H THR 6 H THR 6 11.744 8.571 3.519
181 HA THR 6 HA THR 6 8.948 8.880 2.642
182 HB THR 6 HB THR 6 8.417 7.498 4.307
183 HG1 THR 6 HG1 THR 6 9.629 9.298 6.145
184 HG21 THR 6 HG21 THR 6 10.589 6.479 4.255
185 HG22 THR 6 HG22 THR 6 10.121 6.676 5.945
186 HG23 THR 6 HG23 THR 6 11.279 7.787 5.215
187 H ILE 7 H ILE 7 11.654 10.569 3.618
188 HA ILE 7 HA ILE 7 10.018 12.814 4.604
189 HB ILE 7 HB ILE 7 12.960 12.436 5.142
190 HG12 ILE 7 HG12 ILE 7 11.652 10.584 6.138
191 HG13 ILE 7 HG13 ILE 7 12.361 11.633 7.361
192 HG21 ILE 7 HG21 ILE 7 12.337 14.705 5.374
193 HG22 ILE 7 HG22 ILE 7 10.850 14.285 6.222
194 HG23 ILE 7 HG23 ILE 7 12.410 14.047 7.008
195 HD11 ILE 7 HD11 ILE 7 9.930 10.832 7.639
196 HD12 ILE 7 HD12 ILE 7 10.315 12.524 7.959
197 HD13 ILE 7 HD13 ILE 7 9.555 12.065 6.436
198 H HIS 8 H HIS 8 12.461 11.760 2.361
199 HA HIS 8 HA HIS 8 12.602 14.477 1.235
200 HB2 HIS 8 HB2 HIS 8 14.629 12.566 1.813
201 HB3 HIS 8 HB3 HIS 8 14.551 12.749 0.063
202 HD1 HIS 8 HD1 HIS 8 15.304 14.989 -0.927
203 HD2 HIS 8 HD2 HIS 8 15.451 14.865 3.223
204 HE1 HIS 8 HE1 HIS 8 16.601 17.031 -0.240
205 H ASN 9 H ASN 9 11.130 11.546 0.799
206 HA ASN 9 HA ASN 9 10.853 12.004 -2.099
207 HB2 ASN 9 HB2 ASN 9 11.521 9.582 -0.620
208 HB3 ASN 9 HB3 ASN 9 10.131 9.357 -1.677
209 HD21 ASN 9 HD21 ASN 9 10.382 9.605 -3.904
210 HD22 ASN 9 HD22 ASN 9 11.938 9.556 -4.655
211 H LEU 10 H LEU 10 9.293 12.886 0.357
212 HA LEU 10 HA LEU 10 6.673 11.848 -0.504
213 HB2 LEU 10 HB2 LEU 10 5.924 11.730 1.642
214 HB3 LEU 10 HB3 LEU 10 7.630 11.370 1.896
215 HG LEU 10 HG LEU 10 6.435 14.112 2.262
216 HD11 LEU 10 HD11 LEU 10 7.195 12.860 4.712
217 HD12 LEU 10 HD12 LEU 10 6.036 11.833 3.870
218 HD13 LEU 10 HD13 LEU 10 5.626 13.508 4.234
219 HD21 LEU 10 HD21 LEU 10 8.612 14.044 3.812
220 HD22 LEU 10 HD22 LEU 10 8.654 14.547 2.123
221 HD23 LEU 10 HD23 LEU 10 9.118 12.904 2.565
222 H PHE 11 H PHE 11 8.658 14.594 0.071
223 HA PHE 11 HA PHE 11 6.928 16.660 0.522
224 HB2 PHE 11 HB2 PHE 11 9.543 16.367 -0.742
225 HB3 PHE 11 HB3 PHE 11 8.623 17.718 -1.397
226 HD1 PHE 11 HD1 PHE 11 9.962 19.471 -0.536
227 HD2 PHE 11 HD2 PHE 11 8.373 16.506 2.072
228 HE1 PHE 11 HE1 PHE 11 10.597 20.842 1.406
229 HE2 PHE 11 HE2 PHE 11 9.004 17.873 4.018
230 HZ PHE 11 HZ PHE 11 10.117 20.045 3.686
231 H ARG 12 H ARG 12 7.290 14.780 -2.386
232 HA ARG 12 HA ARG 12 5.875 16.566 -4.106
233 HB2 ARG 12 HB2 ARG 12 6.377 13.598 -4.398
234 HB3 ARG 12 HB3 ARG 12 5.819 14.676 -5.671
235 HG2 ARG 12 HG2 ARG 12 8.396 15.222 -4.262
236 HG3 ARG 12 HG3 ARG 12 8.317 14.023 -5.554
237 HD2 ARG 12 HD2 ARG 12 7.021 16.056 -6.738
238 HD3 ARG 12 HD3 ARG 12 8.087 16.967 -5.669
239 HE ARG 12 HE ARG 12 9.848 16.386 -7.002
240 HH11 ARG 12 HH11 ARG 12 7.180 14.251 -7.665
241 HH12 ARG 12 HH12 ARG 12 7.957 13.487 -9.013
242 HH21 ARG 12 HH21 ARG 12 10.883 15.387 -8.773
243 HH22 ARG 12 HH22 ARG 12 10.063 14.133 -9.641
244 H LYS 13 H LYS 13 4.985 13.579 -2.396
245 HA LYS 13 HA LYS 13 2.159 14.355 -2.708
246 HB2 LYS 13 HB2 LYS 13 3.031 12.275 -4.002
247 HB3 LYS 13 HB3 LYS 13 3.024 11.492 -2.427
248 HG2 LYS 13 HG2 LYS 13 0.586 12.273 -2.270
249 HG3 LYS 13 HG3 LYS 13 0.712 12.550 -4.009
250 HD2 LYS 13 HD2 LYS 13 1.337 9.929 -2.653
251 HD3 LYS 13 HD3 LYS 13 -0.215 10.318 -3.402
252 HE2 LYS 13 HE2 LYS 13 1.003 10.727 -5.539
253 HE3 LYS 13 HE3 LYS 13 2.473 10.147 -4.759
254 HZ1 LYS 13 HZ1 LYS 13 0.486 8.641 -6.000
255 HZ2 LYS 13 HZ2 LYS 13 0.419 8.273 -4.350
256 HZ3 LYS 13 HZ3 LYS 13 1.867 8.080 -5.202
257 H LEU 14 H LEU 14 3.208 15.417 -0.592
258 HA LEU 14 HA LEU 14 3.817 14.363 1.734
259 HB2 LEU 14 HB2 LEU 14 2.238 16.602 0.951
260 HB3 LEU 14 HB3 LEU 14 1.506 15.871 2.380
261 HG LEU 14 HG LEU 14 3.882 16.010 3.387
262 HD11 LEU 14 HD11 LEU 14 4.637 16.779 0.943
263 HD12 LEU 14 HD12 LEU 14 5.468 17.294 2.411
264 HD13 LEU 14 HD13 LEU 14 4.293 18.360 1.642
265 HD21 LEU 14 HD21 LEU 14 3.448 18.540 3.827
266 HD22 LEU 14 HD22 LEU 14 2.303 17.335 4.417
267 HD23 LEU 14 HD23 LEU 14 1.949 18.243 2.947
268 H THR 15 H THR 15 3.331 12.385 2.455
269 HA THR 15 HA THR 15 0.681 11.275 2.186
270 HB THR 15 HB THR 15 1.835 9.441 3.705
271 HG1 THR 15 HG1 THR 15 3.713 11.011 3.883
272 HG21 THR 15 HG21 THR 15 1.222 9.522 1.147
273 HG22 THR 15 HG22 THR 15 2.264 8.250 1.783
274 HG23 THR 15 HG23 THR 15 2.970 9.637 0.953
275 H HIS 16 H HIS 16 -0.913 11.558 3.590
276 HA HIS 16 HA HIS 16 -0.738 13.050 5.928
277 HB2 HIS 16 HB2 HIS 16 -2.763 11.278 4.696
278 HB3 HIS 16 HB3 HIS 16 -2.940 11.560 6.426
279 HD1 HIS 16 HD1 HIS 16 -3.680 13.888 7.175
280 HD2 HIS 16 HD2 HIS 16 -3.135 13.560 3.069
281 HE1 HIS 16 HE1 HIS 16 -4.676 15.980 6.195
282 H ARG 17 H ARG 17 -1.662 9.621 6.001
283 HA ARG 17 HA ARG 17 0.070 9.300 8.364
284 HB2 ARG 17 HB2 ARG 17 -2.763 8.737 7.978
285 HB3 ARG 17 HB3 ARG 17 -1.876 7.329 8.550
286 HG2 ARG 17 HG2 ARG 17 -1.902 8.137 10.605
287 HG3 ARG 17 HG3 ARG 17 -1.035 9.576 10.065
288 HD2 ARG 17 HD2 ARG 17 -3.372 10.360 9.249
289 HD3 ARG 17 HD3 ARG 17 -3.979 9.138 10.366
290 HE ARG 17 HE ARG 17 -2.197 10.614 11.830
291 HH11 ARG 17 HH11 ARG 17 -5.071 11.297 9.989
292 HH12 ARG 17 HH12 ARG 17 -5.536 12.648 10.968
293 HH21 ARG 17 HH21 ARG 17 -2.796 12.392 13.127
294 HH22 ARG 17 HH22 ARG 17 -4.240 13.271 12.753
295 H LEU 18 H LEU 18 -0.491 8.352 5.213
296 HA LEU 18 HA LEU 18 -0.041 5.626 5.144
297 HB2 LEU 18 HB2 LEU 18 0.952 7.740 3.238
298 HB3 LEU 18 HB3 LEU 18 0.936 6.010 2.902
299 HG LEU 18 HG LEU 18 -1.547 7.624 3.462
300 HD11 LEU 18 HD11 LEU 18 -1.342 6.775 0.751
301 HD12 LEU 18 HD12 LEU 18 0.095 7.708 1.168
302 HD13 LEU 18 HD13 LEU 18 -1.508 8.409 1.392
303 HD21 LEU 18 HD21 LEU 18 -2.204 5.472 3.809
304 HD22 LEU 18 HD22 LEU 18 -0.953 4.800 2.761
305 HD23 LEU 18 HD23 LEU 18 -2.391 5.543 2.057
306 H PHE 19 H PHE 19 2.125 8.161 6.002
307 HA PHE 19 HA PHE 19 4.614 7.160 5.415
308 HB2 PHE 19 HB2 PHE 19 4.531 9.298 6.406
309 HB3 PHE 19 HB3 PHE 19 3.612 8.715 7.789
310 HD1 PHE 19 HD1 PHE 19 4.945 9.329 9.597
311 HD2 PHE 19 HD2 PHE 19 6.685 7.259 6.310
312 HE1 PHE 19 HE1 PHE 19 7.034 9.065 10.872
313 HE2 PHE 19 HE2 PHE 19 8.774 6.991 7.579
314 HZ PHE 19 HZ PHE 19 8.951 7.894 9.863
315 H ARG 20 H ARG 20 2.883 6.608 8.487
316 HA ARG 20 HA ARG 20 4.521 4.200 8.884
317 HB2 ARG 20 HB2 ARG 20 3.936 4.370 11.248
318 HB3 ARG 20 HB3 ARG 20 4.650 5.871 10.676
319 HG2 ARG 20 HG2 ARG 20 2.921 6.889 11.630
320 HG3 ARG 20 HG3 ARG 20 1.955 6.272 10.288
321 HD2 ARG 20 HD2 ARG 20 0.856 5.701 12.341
322 HD3 ARG 20 HD3 ARG 20 1.511 4.226 11.629
323 HE ARG 20 HE ARG 20 3.428 5.184 13.382
324 HH11 ARG 20 HH11 ARG 20 0.145 4.035 13.534
325 HH12 ARG 20 HH12 ARG 20 0.298 3.417 15.145
326 HH21 ARG 20 HH21 ARG 20 3.642 4.375 15.504
327 HH22 ARG 20 HH22 ARG 20 2.287 3.612 16.266
328 H ARG 21 H ARG 21 1.269 5.366 8.505
329 HA ARG 21 HA ARG 21 -0.055 3.010 9.406
330 HB2 ARG 21 HB2 ARG 21 -0.938 5.470 8.991
331 HB3 ARG 21 HB3 ARG 21 -1.307 4.828 7.396
332 HG2 ARG 21 HG2 ARG 21 -3.170 3.937 8.181
333 HG3 ARG 21 HG3 ARG 21 -2.235 2.965 9.321
334 HD2 ARG 21 HD2 ARG 21 -2.617 4.382 11.054
335 HD3 ARG 21 HD3 ARG 21 -2.660 5.809 10.019
336 HE ARG 21 HE ARG 21 -4.926 5.574 9.870
337 HH11 ARG 21 HH11 ARG 21 -3.553 2.563 10.952
338 HH12 ARG 21 HH12 ARG 21 -5.090 1.820 11.251
339 HH21 ARG 21 HH21 ARG 21 -6.954 4.606 10.258
340 HH22 ARG 21 HH22 ARG 21 -7.024 2.982 10.854
341 H ASN 22 H ASN 22 1.640 3.809 6.562
342 HA ASN 22 HA ASN 22 0.521 1.442 5.209
343 HB2 ASN 22 HB2 ASN 22 0.162 3.877 4.226
344 HB3 ASN 22 HB3 ASN 22 1.797 3.628 3.622
345 HD21 ASN 22 HD21 ASN 22 2.105 1.431 2.549
346 HD22 ASN 22 HD22 ASN 22 0.857 0.942 1.459
347 H PHE 23 H PHE 23 3.393 3.557 5.270
348 HA PHE 23 HA PHE 23 5.066 1.300 4.486
349 HB2 PHE 23 HB2 PHE 23 5.651 4.245 4.821
350 HB3 PHE 23 HB3 PHE 23 6.879 3.052 4.414
351 HD1 PHE 23 HD1 PHE 23 6.772 1.857 2.256
352 HD2 PHE 23 HD2 PHE 23 4.124 5.053 3.198
353 HE1 PHE 23 HE1 PHE 23 6.212 2.092 -0.129
354 HE2 PHE 23 HE2 PHE 23 3.558 5.292 0.817
355 HZ PHE 23 HZ PHE 23 4.602 3.810 -0.851
356 H GLY 24 H GLY 24 3.763 1.929 7.244
357 HA2 GLY 24 HA2 GLY 24 6.240 1.697 8.835
358 HA3 GLY 24 HA3 GLY 24 4.726 2.346 9.446
359 H TYR 25 H TYR 25 3.291 0.122 7.962
360 HA TYR 25 HA TYR 25 3.295 -1.730 10.161
361 HB2 TYR 25 HB2 TYR 25 1.625 -1.207 7.793
362 HB3 TYR 25 HB3 TYR 25 1.715 -2.900 8.267
363 HD1 TYR 25 HD1 TYR 25 1.585 0.268 10.248
364 HD2 TYR 25 HD2 TYR 25 -0.227 -3.480 9.372
365 HE1 TYR 25 HE1 TYR 25 -0.092 0.676 12.000
366 HE2 TYR 25 HE2 TYR 25 -1.910 -3.082 11.121
367 HH TYR 25 HH TYR 25 -2.311 -0.032 12.625
368 H THR 26 H THR 26 5.048 -1.446 7.297
369 HA THR 26 HA THR 26 5.526 -4.322 7.054
370 HB THR 26 HB THR 26 5.958 -1.982 5.277
371 HG1 THR 26 HG1 THR 26 4.315 -3.816 5.184
372 HG21 THR 26 HG21 THR 26 8.232 -2.774 5.459
373 HG22 THR 26 HG22 THR 26 7.574 -3.273 3.901
374 HG23 THR 26 HG23 THR 26 7.709 -4.440 5.215
375 H LEU 27 H LEU 27 7.441 -1.324 7.320
376 HA LEU 27 HA LEU 27 9.860 -2.711 7.916
377 HB2 LEU 27 HB2 LEU 27 9.208 -0.166 7.132
378 HB3 LEU 27 HB3 LEU 27 9.698 0.067 8.809
379 HG LEU 27 HG LEU 27 11.360 -1.099 6.576
380 HD11 LEU 27 HD11 LEU 27 11.245 1.275 6.409
381 HD12 LEU 27 HD12 LEU 27 12.806 0.866 7.118
382 HD13 LEU 27 HD13 LEU 27 11.503 1.469 8.143
383 HD21 LEU 27 HD21 LEU 27 11.938 -0.823 9.520
384 HD22 LEU 27 HD22 LEU 27 13.171 -1.119 8.294
385 HD23 LEU 27 HD23 LEU 27 11.895 -2.307 8.569
386 H ARG 28 H ARG 28 7.163 -2.451 9.701
387 HA ARG 28 HA ARG 28 7.907 -1.573 12.223
388 HB2 ARG 28 HB2 ARG 28 5.602 -2.290 11.427
389 HB3 ARG 28 HB3 ARG 28 6.112 -3.946 11.729
390 HG2 ARG 28 HG2 ARG 28 6.666 -2.328 14.028
391 HG3 ARG 28 HG3 ARG 28 4.979 -2.139 13.542
392 HD2 ARG 28 HD2 ARG 28 6.197 -4.864 13.698
393 HD3 ARG 28 HD3 ARG 28 5.657 -4.056 15.168
394 HE ARG 28 HE ARG 28 3.509 -3.840 13.565
395 HH11 ARG 28 HH11 ARG 28 5.526 -6.537 14.443
396 HH12 ARG 28 HH12 ARG 28 4.253 -7.705 14.295
397 HH21 ARG 28 HH21 ARG 28 1.825 -5.366 13.366
398 HH22 ARG 28 HH22 ARG 28 2.149 -7.037 13.682
Start of MODEL 14
1 H1 VAL 1 H VAL 1 -0.134 5.097 0.463
2 HA VAL 1 HA VAL 1 0.136 3.536 -1.201
3 HB VAL 1 HB VAL 1 1.359 5.596 -3.013
4 HG11 VAL 1 HG11 VAL 1 -0.203 3.054 -3.415
5 HG12 VAL 1 HG12 VAL 1 0.157 4.187 -4.720
6 HG13 VAL 1 HG13 VAL 1 1.471 3.381 -3.860
7 HG21 VAL 1 HG21 VAL 1 -0.565 6.755 -2.401
8 HG22 VAL 1 HG22 VAL 1 -1.063 5.878 -3.847
9 HG23 VAL 1 HG23 VAL 1 -1.523 5.282 -2.253
10 H ALA 2 H ALA 2 1.907 2.349 -2.241
11 HA ALA 2 HA ALA 2 4.444 2.889 -0.869
12 HB1 ALA 2 HB1 ALA 2 3.102 0.422 -1.847
13 HB2 ALA 2 HB2 ALA 2 4.864 0.448 -1.770
14 HB3 ALA 2 HB3 ALA 2 3.913 0.737 -0.313
15 H ARG 3 H ARG 3 4.555 4.634 -2.667
16 HA ARG 3 HA ARG 3 5.913 3.455 -5.003
17 HB2 ARG 3 HB2 ARG 3 4.958 6.193 -5.359
18 HB3 ARG 3 HB3 ARG 3 4.784 4.794 -6.410
19 HG2 ARG 3 HG2 ARG 3 2.894 4.017 -5.088
20 HG3 ARG 3 HG3 ARG 3 3.082 5.393 -4.000
21 HD2 ARG 3 HD2 ARG 3 1.463 6.221 -5.378
22 HD3 ARG 3 HD3 ARG 3 2.896 6.749 -6.259
23 HE ARG 3 HE ARG 3 2.084 4.182 -7.132
24 HH11 ARG 3 HH11 ARG 3 1.224 7.548 -7.336
25 HH12 ARG 3 HH12 ARG 3 0.452 7.392 -8.880
26 HH21 ARG 3 HH21 ARG 3 1.070 3.962 -9.163
27 HH22 ARG 3 HH22 ARG 3 0.364 5.351 -9.917
28 H GLY 4 H GLY 4 6.298 5.244 -2.217
29 HA2 GLY 4 HA2 GLY 4 8.451 6.923 -3.258
30 HA3 GLY 4 HA3 GLY 4 7.801 6.960 -1.626
31 H TRP 5 H TRP 5 8.168 3.797 -2.177
32 HA TRP 5 HA TRP 5 10.938 3.789 -1.170
33 HB2 TRP 5 HB2 TRP 5 8.514 2.257 -0.344
34 HB3 TRP 5 HB3 TRP 5 10.080 1.457 -0.234
35 HD1 TRP 5 HD1 TRP 5 10.138 5.158 0.460
36 HE1 TRP 5 HE1 TRP 5 10.468 5.554 2.981
37 HE3 TRP 5 HE3 TRP 5 9.463 0.372 2.128
38 HZ2 TRP 5 HZ2 TRP 5 10.446 4.038 5.362
39 HZ3 TRP 5 HZ3 TRP 5 9.635 -0.070 4.543
40 HH2 TRP 5 HH2 TRP 5 10.117 1.726 6.125
41 H LYS 6 H LYS 6 9.065 3.037 -3.778
42 HA LYS 6 HA LYS 6 10.861 0.848 -4.597
43 HB2 LYS 6 HB2 LYS 6 8.694 -0.083 -4.510
44 HB3 LYS 6 HB3 LYS 6 7.959 1.350 -5.215
45 HG2 LYS 6 HG2 LYS 6 9.922 0.129 -6.972
46 HG3 LYS 6 HG3 LYS 6 8.612 -0.972 -6.540
47 HD2 LYS 6 HD2 LYS 6 7.670 1.706 -7.187
48 HD3 LYS 6 HD3 LYS 6 8.540 0.947 -8.523
49 HE2 LYS 6 HE2 LYS 6 7.000 -0.732 -8.752
50 HE3 LYS 6 HE3 LYS 6 6.516 -0.666 -7.059
51 HZ1 LYS 6 HZ1 LYS 6 5.907 1.584 -8.858
52 HZ2 LYS 6 HZ2 LYS 6 5.120 1.112 -7.438
53 HZ3 LYS 6 HZ3 LYS 6 4.917 0.212 -8.856
54 H ARG 7 H ARG 7 9.272 3.837 -5.530
55 HA ARG 7 HA ARG 7 9.923 3.998 -8.206
56 HB2 ARG 7 HB2 ARG 7 8.523 5.652 -7.088
57 HB3 ARG 7 HB3 ARG 7 9.902 6.220 -6.156
58 HG2 ARG 7 HG2 ARG 7 9.445 7.747 -7.960
59 HG3 ARG 7 HG3 ARG 7 10.989 6.939 -8.242
60 HD2 ARG 7 HD2 ARG 7 9.109 5.301 -9.468
61 HD3 ARG 7 HD3 ARG 7 8.575 6.940 -9.843
62 HE ARG 7 HE ARG 7 11.319 6.803 -10.318
63 HH11 ARG 7 HH11 ARG 7 8.364 5.452 -11.567
64 HH12 ARG 7 HH12 ARG 7 8.979 5.259 -13.175
65 HH21 ARG 7 HH21 ARG 7 12.141 6.554 -12.431
66 HH22 ARG 7 HH22 ARG 7 11.127 5.885 -13.665
67 H LYS 8 H LYS 8 11.988 4.291 -5.429
68 HA LYS 8 HA LYS 8 14.240 5.050 -7.168
69 HB2 LYS 8 HB2 LYS 8 13.677 5.489 -4.257
70 HB3 LYS 8 HB3 LYS 8 15.339 5.462 -4.828
71 HG2 LYS 8 HG2 LYS 8 14.523 7.731 -4.718
72 HG3 LYS 8 HG3 LYS 8 14.823 7.273 -6.396
73 HD2 LYS 8 HD2 LYS 8 12.487 6.963 -6.801
74 HD3 LYS 8 HD3 LYS 8 12.111 7.144 -5.086
75 HE2 LYS 8 HE2 LYS 8 11.555 9.183 -6.245
76 HE3 LYS 8 HE3 LYS 8 12.939 9.472 -5.192
77 HZ1 LYS 8 HZ1 LYS 8 13.032 10.393 -7.547
78 HZ2 LYS 8 HZ2 LYS 8 13.290 8.799 -8.048
79 HZ3 LYS 8 HZ3 LYS 8 14.387 9.543 -6.996
80 H CYS 9 H CYS 9 15.420 3.374 -7.800
81 HA CYS 9 HA CYS 9 15.363 0.847 -6.490
82 HB2 CYS 9 HB2 CYS 9 16.754 2.008 -8.851
83 HB3 CYS 9 HB3 CYS 9 17.452 0.560 -8.134
84 HG CYS 9 HG CYS 9 14.693 0.906 -9.988
85 HA PRO 10 HA PRO 10 19.890 2.019 -5.225
86 HB2 PRO 10 HB2 PRO 10 20.572 4.638 -5.430
87 HB3 PRO 10 HB3 PRO 10 20.810 3.478 -6.742
88 HG2 PRO 10 HG2 PRO 10 18.612 5.473 -6.354
89 HG3 PRO 10 HG3 PRO 10 19.499 5.059 -7.832
90 HD2 PRO 10 HD2 PRO 10 17.027 4.093 -7.298
91 HD3 PRO 10 HD3 PRO 10 18.237 3.169 -8.210
92 H LEU 11 H LEU 11 17.080 2.716 -4.110
93 HA LEU 11 HA LEU 11 18.057 4.129 -1.716
94 HB2 LEU 11 HB2 LEU 11 15.476 4.359 -3.204
95 HB3 LEU 11 HB3 LEU 11 15.529 4.699 -1.475
96 HG LEU 11 HG LEU 11 16.824 6.196 -3.729
97 HD11 LEU 11 HD11 LEU 11 14.466 6.626 -2.711
98 HD12 LEU 11 HD12 LEU 11 15.547 7.982 -3.033
99 HD13 LEU 11 HD13 LEU 11 15.377 7.359 -1.391
100 HD21 LEU 11 HD21 LEU 11 18.626 5.971 -2.217
101 HD22 LEU 11 HD22 LEU 11 17.579 6.209 -0.817
102 HD23 LEU 11 HD23 LEU 11 17.920 7.557 -1.902
103 H PHE 12 H PHE 12 15.020 2.431 -2.405
104 HA PHE 12 HA PHE 12 15.664 0.569 -0.214
105 HB2 PHE 12 HB2 PHE 12 13.551 2.401 -0.344
106 HB3 PHE 12 HB3 PHE 12 12.821 0.839 -0.697
107 HD1 PHE 12 HD1 PHE 12 11.828 -0.095 1.137
108 HD2 PHE 12 HD2 PHE 12 15.474 2.042 1.641
109 HE1 PHE 12 HE1 PHE 12 11.804 -0.627 3.540
110 HE2 PHE 12 HE2 PHE 12 15.456 1.513 4.043
111 HZ PHE 12 HZ PHE 12 13.620 0.177 4.996
112 H GLY 13 H GLY 13 14.661 0.963 -3.470
113 HA2 GLY 13 HA2 GLY 13 13.310 -1.452 -3.929
114 HA3 GLY 13 HA3 GLY 13 14.195 -0.537 -5.142
115 H LYS 14 H LYS 14 16.558 -0.866 -5.216
116 HA LYS 14 HA LYS 14 17.146 -3.703 -4.915
117 HB2 LYS 14 HB2 LYS 14 19.037 -1.699 -6.101
118 HB3 LYS 14 HB3 LYS 14 18.853 -3.406 -6.481
119 HG2 LYS 14 HG2 LYS 14 16.694 -2.923 -7.543
120 HG3 LYS 14 HG3 LYS 14 16.918 -1.208 -7.190
121 HD2 LYS 14 HD2 LYS 14 17.582 -1.550 -9.450
122 HD3 LYS 14 HD3 LYS 14 19.057 -1.323 -8.508
123 HE2 LYS 14 HE2 LYS 14 19.283 -3.800 -8.393
124 HE3 LYS 14 HE3 LYS 14 17.903 -3.933 -9.480
125 HZ1 LYS 14 HZ1 LYS 14 20.224 -2.297 -10.253
126 HZ2 LYS 14 HZ2 LYS 14 19.093 -3.078 -11.238
127 HZ3 LYS 14 HZ3 LYS 14 20.283 -3.979 -10.440
128 H GLY 15 H GLY 15 17.746 -0.769 -3.295
129 HA2 GLY 15 HA2 GLY 15 20.292 -1.428 -2.168
130 HA3 GLY 15 HA3 GLY 15 19.207 -0.159 -1.619
131 H GLY 16 H GLY 16 16.971 -2.059 -1.267
132 HA2 GLY 16 HA2 GLY 16 17.503 -2.748 1.448
133 HA3 GLY 16 HA3 GLY 16 16.052 -3.148 0.541
134 H1 LYS 1 H LYS 1 17.655 3.878 6.624
135 HA LYS 1 HA LYS 1 17.624 6.087 4.687
136 HB2 LYS 1 HB2 LYS 1 19.213 3.889 4.717
137 HB3 LYS 1 HB3 LYS 1 17.889 3.308 3.715
138 HG2 LYS 1 HG2 LYS 1 18.426 4.650 1.988
139 HG3 LYS 1 HG3 LYS 1 18.933 5.977 3.037
140 HD2 LYS 1 HD2 LYS 1 20.682 3.670 3.263
141 HD3 LYS 1 HD3 LYS 1 20.591 4.278 1.608
142 HE2 LYS 1 HE2 LYS 1 22.373 5.436 2.647
143 HE3 LYS 1 HE3 LYS 1 21.029 6.574 2.556
144 HZ1 LYS 1 HZ1 LYS 1 21.866 6.802 4.704
145 HZ2 LYS 1 HZ2 LYS 1 22.056 5.136 4.925
146 HZ3 LYS 1 HZ3 LYS 1 20.507 5.815 4.908
147 H TYR 2 H TYR 2 15.308 5.152 6.269
148 HA TYR 2 HA TYR 2 13.565 4.349 4.031
149 HB2 TYR 2 HB2 TYR 2 12.156 3.671 6.296
150 HB3 TYR 2 HB3 TYR 2 13.083 2.555 5.299
151 HD1 TYR 2 HD1 TYR 2 15.304 1.802 6.012
152 HD2 TYR 2 HD2 TYR 2 12.948 4.356 8.466
153 HE1 TYR 2 HE1 TYR 2 16.747 1.276 7.934
154 HE2 TYR 2 HE2 TYR 2 14.384 3.839 10.394
155 HH TYR 2 HH TYR 2 15.919 1.893 11.076
156 H GLU 3 H GLU 3 13.489 5.956 7.215
157 HA GLU 3 HA GLU 3 11.084 7.293 6.939
158 HB2 GLU 3 HB2 GLU 3 12.090 8.982 8.535
159 HB3 GLU 3 HB3 GLU 3 12.128 7.306 9.065
160 HG2 GLU 3 HG2 GLU 3 14.524 7.597 7.750
161 HG3 GLU 3 HG3 GLU 3 14.310 9.152 8.551
162 H ILE 4 H ILE 4 14.330 8.397 6.010
163 HA ILE 4 HA ILE 4 13.473 10.904 4.996
164 HB ILE 4 HB ILE 4 15.784 10.594 5.631
165 HG12 ILE 4 HG12 ILE 4 14.951 11.924 3.426
166 HG13 ILE 4 HG13 ILE 4 16.608 11.962 4.018
167 HG21 ILE 4 HG21 ILE 4 15.789 8.481 3.492
168 HG22 ILE 4 HG22 ILE 4 17.268 9.189 4.140
169 HG23 ILE 4 HG23 ILE 4 16.175 8.304 5.204
170 HD11 ILE 4 HD11 ILE 4 16.233 11.527 1.537
171 HD12 ILE 4 HD12 ILE 4 17.340 10.455 2.396
172 HD13 ILE 4 HD13 ILE 4 15.701 9.918 2.026
173 H THR 5 H THR 5 13.085 7.782 3.824
174 HA THR 5 HA THR 5 13.048 8.585 1.015
175 HB THR 5 HB THR 5 12.173 5.856 1.667
176 HG1 THR 5 HG1 THR 5 14.430 5.264 2.121
177 HG21 THR 5 HG21 THR 5 13.666 7.301 -0.380
178 HG22 THR 5 HG22 THR 5 12.711 5.822 -0.508
179 HG23 THR 5 HG23 THR 5 14.388 5.745 0.033
180 H THR 6 H THR 6 10.926 8.090 3.663
181 HA THR 6 HA THR 6 8.604 8.186 1.848
182 HB THR 6 HB THR 6 8.303 6.184 2.990
183 HG1 THR 6 HG1 THR 6 6.534 7.752 3.315
184 HG21 THR 6 HG21 THR 6 9.842 5.866 4.616
185 HG22 THR 6 HG22 THR 6 8.544 6.415 5.676
186 HG23 THR 6 HG23 THR 6 9.785 7.548 5.142
187 H ILE 7 H ILE 7 10.419 9.967 3.986
188 HA ILE 7 HA ILE 7 8.128 11.650 4.757
189 HB ILE 7 HB ILE 7 10.877 11.494 6.000
190 HG12 ILE 7 HG12 ILE 7 8.179 10.699 7.117
191 HG13 ILE 7 HG13 ILE 7 9.365 9.570 6.473
192 HG21 ILE 7 HG21 ILE 7 8.515 13.263 6.565
193 HG22 ILE 7 HG22 ILE 7 9.778 12.961 7.757
194 HG23 ILE 7 HG23 ILE 7 10.180 13.731 6.223
195 HD11 ILE 7 HD11 ILE 7 10.780 11.039 8.340
196 HD12 ILE 7 HD12 ILE 7 9.199 10.790 9.082
197 HD13 ILE 7 HD13 ILE 7 10.146 9.405 8.538
198 H HIS 8 H HIS 8 10.829 11.469 2.733
199 HA HIS 8 HA HIS 8 10.738 14.381 2.283
200 HB2 HIS 8 HB2 HIS 8 12.985 12.684 2.845
201 HB3 HIS 8 HB3 HIS 8 13.159 13.362 1.229
202 HD1 HIS 8 HD1 HIS 8 14.529 15.405 1.308
203 HD2 HIS 8 HD2 HIS 8 12.125 15.042 4.678
204 HE1 HIS 8 HE1 HIS 8 15.004 17.447 2.696
205 H ASN 9 H ASN 9 9.844 11.487 1.048
206 HA ASN 9 HA ASN 9 10.519 11.996 -1.725
207 HB2 ASN 9 HB2 ASN 9 10.554 9.702 -1.174
208 HB3 ASN 9 HB3 ASN 9 9.027 9.801 -0.303
209 HD21 ASN 9 HD21 ASN 9 10.541 9.180 -3.266
210 HD22 ASN 9 HD22 ASN 9 9.119 8.966 -4.224
211 H LEU 10 H LEU 10 7.467 11.510 0.063
212 HA LEU 10 HA LEU 10 6.185 13.369 -1.831
213 HB2 LEU 10 HB2 LEU 10 4.144 12.101 -1.650
214 HB3 LEU 10 HB3 LEU 10 5.458 11.052 -2.176
215 HG LEU 10 HG LEU 10 4.888 11.098 0.727
216 HD11 LEU 10 HD11 LEU 10 3.004 9.923 -1.303
217 HD12 LEU 10 HD12 LEU 10 2.634 11.080 -0.026
218 HD13 LEU 10 HD13 LEU 10 3.060 9.419 0.386
219 HD21 LEU 10 HD21 LEU 10 5.602 9.021 -1.331
220 HD22 LEU 10 HD22 LEU 10 5.226 8.631 0.348
221 HD23 LEU 10 HD23 LEU 10 6.610 9.656 -0.030
222 H PHE 11 H PHE 11 7.115 12.887 1.312
223 HA PHE 11 HA PHE 11 4.858 14.153 2.598
224 HB2 PHE 11 HB2 PHE 11 7.317 12.807 3.442
225 HB3 PHE 11 HB3 PHE 11 6.929 14.218 4.420
226 HD1 PHE 11 HD1 PHE 11 6.435 13.020 6.419
227 HD2 PHE 11 HD2 PHE 11 4.386 12.117 2.799
228 HE1 PHE 11 HE1 PHE 11 4.795 11.690 7.683
229 HE2 PHE 11 HE2 PHE 11 2.743 10.787 4.057
230 HZ PHE 11 HZ PHE 11 2.944 10.573 6.502
231 H ARG 12 H ARG 12 7.213 15.297 0.655
232 HA ARG 12 HA ARG 12 8.244 17.532 2.000
233 HB2 ARG 12 HB2 ARG 12 8.767 18.411 -0.226
234 HB3 ARG 12 HB3 ARG 12 9.183 16.706 -0.102
235 HG2 ARG 12 HG2 ARG 12 6.649 16.567 -1.072
236 HG3 ARG 12 HG3 ARG 12 7.235 18.053 -1.822
237 HD2 ARG 12 HD2 ARG 12 9.016 15.674 -1.857
238 HD3 ARG 12 HD3 ARG 12 7.612 15.669 -2.924
239 HE ARG 12 HE ARG 12 9.175 18.075 -3.089
240 HH11 ARG 12 HH11 ARG 12 8.811 14.813 -4.253
241 HH12 ARG 12 HH12 ARG 12 9.643 15.113 -5.742
242 HH21 ARG 12 HH21 ARG 12 10.272 18.482 -5.046
243 HH22 ARG 12 HH22 ARG 12 10.475 17.199 -6.192
244 H LYS 13 H LYS 13 5.110 16.881 0.835
245 HA LYS 13 HA LYS 13 4.388 19.726 0.808
246 HB2 LYS 13 HB2 LYS 13 3.396 17.335 -0.550
247 HB3 LYS 13 HB3 LYS 13 2.108 18.307 0.150
248 HG2 LYS 13 HG2 LYS 13 4.054 19.927 -1.260
249 HG3 LYS 13 HG3 LYS 13 3.322 18.699 -2.296
250 HD2 LYS 13 HD2 LYS 13 1.111 19.482 -1.745
251 HD3 LYS 13 HD3 LYS 13 1.766 20.612 -0.557
252 HE2 LYS 13 HE2 LYS 13 1.543 22.062 -2.283
253 HE3 LYS 13 HE3 LYS 13 3.130 21.422 -2.706
254 HZ1 LYS 13 HZ1 LYS 13 1.795 19.708 -4.042
255 HZ2 LYS 13 HZ2 LYS 13 1.948 21.270 -4.671
256 HZ3 LYS 13 HZ3 LYS 13 0.512 20.801 -3.910
257 H LEU 14 H LEU 14 2.571 16.828 1.781
258 HA LEU 14 HA LEU 14 1.957 18.182 4.325
259 HB2 LEU 14 HB2 LEU 14 0.201 16.406 2.641
260 HB3 LEU 14 HB3 LEU 14 -0.202 16.935 4.273
261 HG LEU 14 HG LEU 14 0.340 18.942 2.116
262 HD11 LEU 14 HD11 LEU 14 -2.225 18.949 1.893
263 HD12 LEU 14 HD12 LEU 14 -2.134 17.305 2.522
264 HD13 LEU 14 HD13 LEU 14 -1.306 17.723 1.021
265 HD21 LEU 14 HD21 LEU 14 -1.253 18.915 4.672
266 HD22 LEU 14 HD22 LEU 14 -1.292 20.235 3.503
267 HD23 LEU 14 HD23 LEU 14 0.215 19.830 4.326
268 H THR 15 H THR 15 2.876 17.188 5.982
269 HA THR 15 HA THR 15 3.669 14.402 5.780
270 HB THR 15 HB THR 15 4.534 14.910 8.182
271 HG1 THR 15 HG1 THR 15 3.241 17.052 7.947
272 HG21 THR 15 HG21 THR 15 5.650 15.112 5.661
273 HG22 THR 15 HG22 THR 15 6.529 15.120 7.189
274 HG23 THR 15 HG23 THR 15 6.075 16.643 6.424
275 H HIS 16 H HIS 16 1.983 13.041 6.042
276 HA HIS 16 HA HIS 16 0.096 13.512 8.230
277 HB2 HIS 16 HB2 HIS 16 0.013 11.467 6.002
278 HB3 HIS 16 HB3 HIS 16 -1.260 11.752 7.185
279 HD1 HIS 16 HD1 HIS 16 -1.937 14.543 7.138
280 HD2 HIS 16 HD2 HIS 16 -0.605 12.669 3.677
281 HE1 HIS 16 HE1 HIS 16 -2.744 15.983 5.241
282 H ARG 17 H ARG 17 -0.045 10.320 7.564
283 HA ARG 17 HA ARG 17 1.862 9.617 9.699
284 HB2 ARG 17 HB2 ARG 17 -0.791 8.262 9.208
285 HB3 ARG 17 HB3 ARG 17 0.308 7.997 10.554
286 HG2 ARG 17 HG2 ARG 17 -1.210 9.342 11.572
287 HG3 ARG 17 HG3 ARG 17 -0.118 10.577 10.941
288 HD2 ARG 17 HD2 ARG 17 -1.650 11.363 9.503
289 HD3 ARG 17 HD3 ARG 17 -2.197 9.747 9.057
290 HE ARG 17 HE ARG 17 -3.337 11.477 11.054
291 HH11 ARG 17 HH11 ARG 17 -2.985 8.190 9.963
292 HH12 ARG 17 HH12 ARG 17 -4.426 7.637 10.749
293 HH21 ARG 17 HH21 ARG 17 -5.238 10.761 12.092
294 HH22 ARG 17 HH22 ARG 17 -5.707 9.100 11.959
295 H LEU 18 H LEU 18 1.190 9.294 6.504
296 HA LEU 18 HA LEU 18 1.395 6.637 5.837
297 HB2 LEU 18 HB2 LEU 18 2.897 8.799 4.387
298 HB3 LEU 18 HB3 LEU 18 2.216 7.316 3.722
299 HG LEU 18 HG LEU 18 0.699 9.743 4.672
300 HD11 LEU 18 HD11 LEU 18 0.984 10.425 2.581
301 HD12 LEU 18 HD12 LEU 18 0.012 9.049 2.060
302 HD13 LEU 18 HD13 LEU 18 1.769 8.911 2.131
303 HD21 LEU 18 HD21 LEU 18 -0.163 6.965 4.078
304 HD22 LEU 18 HD22 LEU 18 -1.189 8.287 3.521
305 HD23 LEU 18 HD23 LEU 18 -0.807 8.128 5.236
306 H PHE 19 H PHE 19 3.801 8.686 7.232
307 HA PHE 19 HA PHE 19 6.181 7.552 6.496
308 HB2 PHE 19 HB2 PHE 19 6.275 9.425 7.932
309 HB3 PHE 19 HB3 PHE 19 5.263 8.649 9.146
310 HD1 PHE 19 HD1 PHE 19 8.231 7.279 7.390
311 HD2 PHE 19 HD2 PHE 19 6.584 8.673 11.059
312 HE1 PHE 19 HE1 PHE 19 10.248 6.521 8.579
313 HE2 PHE 19 HE2 PHE 19 8.598 7.919 12.253
314 HZ PHE 19 HZ PHE 19 10.434 6.842 11.013
315 H ARG 20 H ARG 20 4.337 6.567 9.390
316 HA ARG 20 HA ARG 20 5.614 3.923 9.188
317 HB2 ARG 20 HB2 ARG 20 4.918 3.705 11.612
318 HB3 ARG 20 HB3 ARG 20 6.163 4.900 11.278
319 HG2 ARG 20 HG2 ARG 20 4.933 6.512 12.165
320 HG3 ARG 20 HG3 ARG 20 3.568 6.112 11.120
321 HD2 ARG 20 HD2 ARG 20 4.254 4.854 13.772
322 HD3 ARG 20 HD3 ARG 20 2.893 5.920 13.427
323 HE ARG 20 HE ARG 20 2.507 3.867 11.715
324 HH11 ARG 20 HH11 ARG 20 3.088 4.033 15.143
325 HH12 ARG 20 HH12 ARG 20 2.188 2.596 15.497
326 HH21 ARG 20 HH21 ARG 20 1.319 1.974 12.168
327 HH22 ARG 20 HH22 ARG 20 1.183 1.425 13.804
328 H ARG 21 H ARG 21 2.570 5.621 9.384
329 HA ARG 21 HA ARG 21 0.900 3.397 9.877
330 HB2 ARG 21 HB2 ARG 21 0.431 5.996 9.905
331 HB3 ARG 21 HB3 ARG 21 -0.057 5.706 8.241
332 HG2 ARG 21 HG2 ARG 21 -2.043 5.058 8.961
333 HG3 ARG 21 HG3 ARG 21 -1.281 3.711 9.809
334 HD2 ARG 21 HD2 ARG 21 -0.758 5.700 11.540
335 HD3 ARG 21 HD3 ARG 21 -2.261 6.299 10.840
336 HE ARG 21 HE ARG 21 -2.656 3.627 11.508
337 HH11 ARG 21 HH11 ARG 21 -1.997 6.649 13.105
338 HH12 ARG 21 HH12 ARG 21 -2.808 6.202 14.570
339 HH21 ARG 21 HH21 ARG 21 -3.727 3.026 13.430
340 HH22 ARG 21 HH22 ARG 21 -3.791 4.140 14.754
341 H ASN 22 H ASN 22 2.656 4.351 7.123
342 HA ASN 22 HA ASN 22 1.136 2.441 5.472
343 HB2 ASN 22 HB2 ASN 22 1.021 4.959 4.849
344 HB3 ASN 22 HB3 ASN 22 2.673 4.735 4.281
345 HD21 ASN 22 HD21 ASN 22 3.043 3.142 2.627
346 HD22 ASN 22 HD22 ASN 22 1.791 2.778 1.495
347 H PHE 23 H PHE 23 4.298 4.092 5.617
348 HA PHE 23 HA PHE 23 5.576 1.760 4.438
349 HB2 PHE 23 HB2 PHE 23 6.585 4.511 5.161
350 HB3 PHE 23 HB3 PHE 23 7.641 3.231 4.573
351 HD1 PHE 23 HD1 PHE 23 7.204 2.261 2.291
352 HD2 PHE 23 HD2 PHE 23 5.327 5.817 3.683
353 HE1 PHE 23 HE1 PHE 23 6.666 2.880 -0.029
354 HE2 PHE 23 HE2 PHE 23 4.785 6.441 1.366
355 HZ PHE 23 HZ PHE 23 5.452 4.972 -0.493
356 H GLY 24 H GLY 24 4.488 2.159 7.343
357 HA2 GLY 24 HA2 GLY 24 6.952 1.373 8.758
358 HA3 GLY 24 HA3 GLY 24 5.509 2.021 9.524
359 H TYR 25 H TYR 25 4.279 0.003 7.331
360 HA TYR 25 HA TYR 25 4.013 -2.146 9.291
361 HB2 TYR 25 HB2 TYR 25 2.267 -0.941 7.385
362 HB3 TYR 25 HB3 TYR 25 2.444 -2.641 6.966
363 HD1 TYR 25 HD1 TYR 25 1.199 -0.268 9.455
364 HD2 TYR 25 HD2 TYR 25 1.667 -4.384 8.482
365 HE1 TYR 25 HE1 TYR 25 -0.411 -0.862 11.217
366 HE2 TYR 25 HE2 TYR 25 0.056 -4.989 10.240
367 HH TYR 25 HH TYR 25 -1.135 -4.242 11.982
368 H THR 26 H THR 26 5.985 -1.435 6.756
369 HA THR 26 HA THR 26 6.145 -4.159 5.713
370 HB THR 26 HB THR 26 7.106 -1.509 4.789
371 HG1 THR 26 HG1 THR 26 5.674 -2.128 3.366
372 HG21 THR 26 HG21 THR 26 9.222 -2.673 4.969
373 HG22 THR 26 HG22 THR 26 8.755 -2.567 3.271
374 HG23 THR 26 HG23 THR 26 8.551 -4.082 4.149
375 H LEU 27 H LEU 27 8.324 -1.722 7.135
376 HA LEU 27 HA LEU 27 10.494 -3.524 7.456
377 HB2 LEU 27 HB2 LEU 27 11.609 -1.782 8.539
378 HB3 LEU 27 HB3 LEU 27 10.570 -0.988 7.357
379 HG LEU 27 HG LEU 27 10.419 0.336 9.279
380 HD11 LEU 27 HD11 LEU 27 8.067 -1.549 9.379
381 HD12 LEU 27 HD12 LEU 27 8.241 -0.175 8.286
382 HD13 LEU 27 HD13 LEU 27 8.116 0.092 10.024
383 HD21 LEU 27 HD21 LEU 27 10.591 -0.361 11.420
384 HD22 LEU 27 HD22 LEU 27 11.302 -1.788 10.665
385 HD23 LEU 27 HD23 LEU 27 9.605 -1.798 11.148
386 H ARG 28 H ARG 28 7.582 -3.504 8.954
387 HA ARG 28 HA ARG 28 8.535 -4.168 11.622
388 HB2 ARG 28 HB2 ARG 28 6.092 -3.197 10.511
389 HB3 ARG 28 HB3 ARG 28 5.758 -4.715 11.333
390 HG2 ARG 28 HG2 ARG 28 7.009 -3.744 13.316
391 HG3 ARG 28 HG3 ARG 28 6.911 -2.194 12.477
392 HD2 ARG 28 HD2 ARG 28 4.333 -3.191 12.344
393 HD3 ARG 28 HD3 ARG 28 4.878 -3.642 13.960
394 HE ARG 28 HE ARG 28 4.241 -1.020 13.037
395 HH11 ARG 28 HH11 ARG 28 6.283 -2.804 15.221
396 HH12 ARG 28 HH12 ARG 28 6.477 -1.482 16.325
397 HH21 ARG 28 HH21 ARG 28 4.489 0.726 14.482
398 HH22 ARG 28 HH22 ARG 28 5.456 0.524 15.904
Start of MODEL 15
1 H1 VAL 1 H VAL 1 1.586 -2.396 -1.722
2 HA VAL 1 HA VAL 1 2.290 -0.636 -2.985
3 HB VAL 1 HB VAL 1 1.132 1.086 -0.790
4 HG11 VAL 1 HG11 VAL 1 1.801 1.572 -3.681
5 HG12 VAL 1 HG12 VAL 1 0.696 2.608 -2.775
6 HG13 VAL 1 HG13 VAL 1 2.375 2.444 -2.261
7 HG21 VAL 1 HG21 VAL 1 -0.681 -0.232 -1.308
8 HG22 VAL 1 HG22 VAL 1 -0.857 1.062 -2.493
9 HG23 VAL 1 HG23 VAL 1 -0.160 -0.486 -2.973
10 H ALA 2 H ALA 2 4.472 -0.686 -2.992
11 HA ALA 2 HA ALA 2 5.859 0.820 -0.870
12 HB1 ALA 2 HB1 ALA 2 7.767 -0.628 -1.123
13 HB2 ALA 2 HB2 ALA 2 6.334 -1.607 -0.813
14 HB3 ALA 2 HB3 ALA 2 6.984 -1.489 -2.449
15 H ARG 3 H ARG 3 5.378 2.665 -2.332
16 HA ARG 3 HA ARG 3 7.256 2.789 -4.597
17 HB2 ARG 3 HB2 ARG 3 5.770 4.829 -5.214
18 HB3 ARG 3 HB3 ARG 3 5.168 3.206 -5.524
19 HG2 ARG 3 HG2 ARG 3 3.819 3.290 -3.514
20 HG3 ARG 3 HG3 ARG 3 4.468 4.884 -3.124
21 HD2 ARG 3 HD2 ARG 3 2.366 5.280 -4.112
22 HD3 ARG 3 HD3 ARG 3 3.554 5.645 -5.363
23 HE ARG 3 HE ARG 3 2.906 3.031 -5.788
24 HH11 ARG 3 HH11 ARG 3 1.102 5.999 -5.548
25 HH12 ARG 3 HH12 ARG 3 -0.149 5.478 -6.628
26 HH21 ARG 3 HH21 ARG 3 1.265 2.335 -7.211
27 HH22 ARG 3 HH22 ARG 3 -0.056 3.393 -7.572
28 H GLY 4 H GLY 4 6.439 4.101 -1.524
29 HA2 GLY 4 HA2 GLY 4 7.801 6.604 -1.832
30 HA3 GLY 4 HA3 GLY 4 7.251 5.895 -0.321
31 H TRP 5 H TRP 5 8.904 3.445 -1.481
32 HA TRP 5 HA TRP 5 11.477 4.404 -0.407
33 HB2 TRP 5 HB2 TRP 5 10.000 1.827 0.004
34 HB3 TRP 5 HB3 TRP 5 11.756 1.860 0.133
35 HD1 TRP 5 HD1 TRP 5 10.556 5.083 1.366
36 HE1 TRP 5 HE1 TRP 5 10.429 5.106 3.937
37 HE3 TRP 5 HE3 TRP 5 10.980 0.065 2.245
38 HZ2 TRP 5 HZ2 TRP 5 10.499 3.244 6.057
39 HZ3 TRP 5 HZ3 TRP 5 10.941 -0.732 4.573
40 HH2 TRP 5 HH2 TRP 5 10.707 0.826 6.438
41 H LYS 6 H LYS 6 9.861 3.074 -3.067
42 HA LYS 6 HA LYS 6 12.428 2.334 -4.310
43 HB2 LYS 6 HB2 LYS 6 9.683 1.157 -4.759
44 HB3 LYS 6 HB3 LYS 6 11.067 0.825 -5.791
45 HG2 LYS 6 HG2 LYS 6 11.937 -0.641 -4.350
46 HG3 LYS 6 HG3 LYS 6 11.594 0.385 -2.954
47 HD2 LYS 6 HD2 LYS 6 9.379 -0.416 -2.786
48 HD3 LYS 6 HD3 LYS 6 9.446 -1.159 -4.387
49 HE2 LYS 6 HE2 LYS 6 11.475 -2.102 -2.479
50 HE3 LYS 6 HE3 LYS 6 9.809 -2.493 -2.053
51 HZ1 LYS 6 HZ1 LYS 6 11.127 -3.132 -4.638
52 HZ2 LYS 6 HZ2 LYS 6 9.530 -3.510 -4.226
53 HZ3 LYS 6 HZ3 LYS 6 10.812 -4.234 -3.393
54 H ARG 7 H ARG 7 9.123 3.413 -5.105
55 HA ARG 7 HA ARG 7 9.697 4.363 -7.672
56 HB2 ARG 7 HB2 ARG 7 7.424 4.033 -6.358
57 HB3 ARG 7 HB3 ARG 7 7.642 5.742 -6.001
58 HG2 ARG 7 HG2 ARG 7 6.541 6.064 -7.916
59 HG3 ARG 7 HG3 ARG 7 8.088 5.695 -8.680
60 HD2 ARG 7 HD2 ARG 7 7.458 3.392 -8.964
61 HD3 ARG 7 HD3 ARG 7 5.977 3.642 -8.039
62 HE ARG 7 HE ARG 7 5.834 5.410 -10.133
63 HH11 ARG 7 HH11 ARG 7 6.158 1.963 -9.782
64 HH12 ARG 7 HH12 ARG 7 5.336 1.603 -11.264
65 HH21 ARG 7 HH21 ARG 7 4.749 4.950 -12.086
66 HH22 ARG 7 HH22 ARG 7 4.536 3.303 -12.574
67 H LYS 8 H LYS 8 9.413 6.199 -4.626
68 HA LYS 8 HA LYS 8 10.150 8.687 -5.643
69 HB2 LYS 8 HB2 LYS 8 10.123 7.433 -2.947
70 HB3 LYS 8 HB3 LYS 8 11.050 8.915 -3.135
71 HG2 LYS 8 HG2 LYS 8 8.748 9.302 -2.350
72 HG3 LYS 8 HG3 LYS 8 9.097 10.104 -3.883
73 HD2 LYS 8 HD2 LYS 8 7.968 7.378 -4.059
74 HD3 LYS 8 HD3 LYS 8 6.888 8.632 -3.445
75 HE2 LYS 8 HE2 LYS 8 8.352 9.565 -5.748
76 HE3 LYS 8 HE3 LYS 8 7.493 8.070 -6.114
77 HZ1 LYS 8 HZ1 LYS 8 6.384 10.497 -6.217
78 HZ2 LYS 8 HZ2 LYS 8 5.965 10.041 -4.643
79 HZ3 LYS 8 HZ3 LYS 8 5.509 9.073 -5.953
80 H CYS 9 H CYS 9 12.283 6.868 -3.464
81 HA CYS 9 HA CYS 9 14.542 7.597 -5.212
82 HB2 CYS 9 HB2 CYS 9 14.420 8.849 -3.020
83 HB3 CYS 9 HB3 CYS 9 14.674 7.310 -2.207
84 HG CYS 9 HG CYS 9 17.008 9.097 -2.499
85 HA PRO 10 HA PRO 10 14.911 3.142 -5.362
86 HB2 PRO 10 HB2 PRO 10 16.948 3.122 -7.156
87 HB3 PRO 10 HB3 PRO 10 15.263 3.391 -7.619
88 HG2 PRO 10 HG2 PRO 10 17.453 5.387 -7.189
89 HG3 PRO 10 HG3 PRO 10 16.233 5.324 -8.475
90 HD2 PRO 10 HD2 PRO 10 16.009 6.968 -6.336
91 HD3 PRO 10 HD3 PRO 10 14.599 6.257 -7.145
92 H LEU 11 H LEU 11 16.124 4.624 -3.189
93 HA LEU 11 HA LEU 11 18.818 3.462 -3.065
94 HB2 LEU 11 HB2 LEU 11 19.395 5.071 -1.518
95 HB3 LEU 11 HB3 LEU 11 18.297 5.944 -2.585
96 HG LEU 11 HG LEU 11 17.724 6.621 -0.414
97 HD11 LEU 11 HD11 LEU 11 15.475 5.997 -0.220
98 HD12 LEU 11 HD12 LEU 11 15.770 4.391 -0.884
99 HD13 LEU 11 HD13 LEU 11 15.845 5.807 -1.934
100 HD21 LEU 11 HD21 LEU 11 17.199 3.956 0.716
101 HD22 LEU 11 HD22 LEU 11 17.900 5.391 1.463
102 HD23 LEU 11 HD23 LEU 11 18.899 4.347 0.452
103 H PHE 12 H PHE 12 15.701 2.785 -2.157
104 HA PHE 12 HA PHE 12 16.616 1.146 0.115
105 HB2 PHE 12 HB2 PHE 12 14.825 3.140 0.351
106 HB3 PHE 12 HB3 PHE 12 13.736 1.829 -0.089
107 HD1 PHE 12 HD1 PHE 12 16.073 3.083 2.434
108 HD2 PHE 12 HD2 PHE 12 13.340 -0.013 1.404
109 HE1 PHE 12 HE1 PHE 12 16.087 2.299 4.767
110 HE2 PHE 12 HE2 PHE 12 13.349 -0.802 3.734
111 HZ PHE 12 HZ PHE 12 14.724 0.355 5.419
112 H GLY 13 H GLY 13 15.151 1.218 -2.964
113 HA2 GLY 13 HA2 GLY 13 13.775 -1.313 -2.706
114 HA3 GLY 13 HA3 GLY 13 13.957 -0.367 -4.175
115 H LYS 14 H LYS 14 16.351 -0.262 -4.935
116 HA LYS 14 HA LYS 14 17.133 -2.926 -5.535
117 HB2 LYS 14 HB2 LYS 14 18.845 -1.966 -6.872
118 HB3 LYS 14 HB3 LYS 14 17.455 -0.898 -7.010
119 HG2 LYS 14 HG2 LYS 14 18.589 0.419 -5.090
120 HG3 LYS 14 HG3 LYS 14 20.039 -0.462 -5.577
121 HD2 LYS 14 HD2 LYS 14 19.271 0.358 -7.980
122 HD3 LYS 14 HD3 LYS 14 18.497 1.626 -7.027
123 HE2 LYS 14 HE2 LYS 14 20.635 2.452 -7.591
124 HE3 LYS 14 HE3 LYS 14 20.738 1.961 -5.900
125 HZ1 LYS 14 HZ1 LYS 14 21.499 -0.279 -7.101
126 HZ2 LYS 14 HZ2 LYS 14 22.583 0.932 -6.634
127 HZ3 LYS 14 HZ3 LYS 14 22.053 0.845 -8.238
128 H GLY 15 H GLY 15 18.138 -0.577 -3.156
129 HA2 GLY 15 HA2 GLY 15 20.573 -1.929 -2.453
130 HA3 GLY 15 HA3 GLY 15 19.810 -0.622 -1.560
131 H GLY 16 H GLY 16 17.988 -1.169 -0.165
132 HA2 GLY 16 HA2 GLY 16 18.419 -3.800 1.060
133 HA3 GLY 16 HA3 GLY 16 17.667 -2.414 1.836
134 H1 LYS 1 H LYS 1 18.528 3.219 5.723
135 HA LYS 1 HA LYS 1 17.534 5.770 6.812
136 HB2 LYS 1 HB2 LYS 1 18.572 5.224 4.026
137 HB3 LYS 1 HB3 LYS 1 18.097 6.787 4.677
138 HG2 LYS 1 HG2 LYS 1 20.417 5.106 5.603
139 HG3 LYS 1 HG3 LYS 1 20.509 6.574 4.627
140 HD2 LYS 1 HD2 LYS 1 19.110 7.529 6.694
141 HD3 LYS 1 HD3 LYS 1 19.981 6.238 7.525
142 HE2 LYS 1 HE2 LYS 1 21.925 7.345 7.429
143 HE3 LYS 1 HE3 LYS 1 21.677 7.806 5.745
144 HZ1 LYS 1 HZ1 LYS 1 21.778 9.720 7.254
145 HZ2 LYS 1 HZ2 LYS 1 20.408 9.151 8.069
146 HZ3 LYS 1 HZ3 LYS 1 20.293 9.623 6.449
147 H TYR 2 H TYR 2 15.411 5.091 7.146
148 HA TYR 2 HA TYR 2 13.905 4.409 4.708
149 HB2 TYR 2 HB2 TYR 2 12.250 3.778 6.831
150 HB3 TYR 2 HB3 TYR 2 13.214 2.637 5.899
151 HD1 TYR 2 HD1 TYR 2 15.251 1.692 6.810
152 HD2 TYR 2 HD2 TYR 2 12.968 4.502 9.045
153 HE1 TYR 2 HE1 TYR 2 16.503 1.088 8.839
154 HE2 TYR 2 HE2 TYR 2 14.215 3.906 11.080
155 HH TYR 2 HH TYR 2 16.812 2.783 11.384
156 H GLU 3 H GLU 3 13.533 6.042 7.855
157 HA GLU 3 HA GLU 3 11.192 7.414 7.344
158 HB2 GLU 3 HB2 GLU 3 12.022 9.083 9.020
159 HB3 GLU 3 HB3 GLU 3 12.100 7.412 9.555
160 HG2 GLU 3 HG2 GLU 3 14.511 7.402 8.889
161 HG3 GLU 3 HG3 GLU 3 14.372 9.138 8.612
162 H ILE 4 H ILE 4 14.525 8.448 6.685
163 HA ILE 4 HA ILE 4 13.792 10.950 5.555
164 HB ILE 4 HB ILE 4 16.338 9.423 5.023
165 HG12 ILE 4 HG12 ILE 4 16.904 11.281 6.980
166 HG13 ILE 4 HG13 ILE 4 15.328 10.672 7.472
167 HG21 ILE 4 HG21 ILE 4 17.208 11.833 4.927
168 HG22 ILE 4 HG22 ILE 4 16.257 11.243 3.565
169 HG23 ILE 4 HG23 ILE 4 15.513 12.294 4.771
170 HD11 ILE 4 HD11 ILE 4 16.602 9.151 8.535
171 HD12 ILE 4 HD12 ILE 4 16.552 8.353 6.963
172 HD13 ILE 4 HD13 ILE 4 17.950 9.330 7.411
173 H THR 5 H THR 5 13.300 7.879 4.439
174 HA THR 5 HA THR 5 13.624 8.591 1.612
175 HB THR 5 HB THR 5 12.991 5.916 2.875
176 HG1 THR 5 HG1 THR 5 15.143 5.440 2.276
177 HG21 THR 5 HG21 THR 5 12.022 6.136 0.631
178 HG22 THR 5 HG22 THR 5 13.364 4.991 0.642
179 HG23 THR 5 HG23 THR 5 13.596 6.616 -0.000
180 H THR 6 H THR 6 11.242 8.175 4.055
181 HA THR 6 HA THR 6 9.119 8.403 2.021
182 HB THR 6 HB THR 6 8.846 6.269 3.062
183 HG1 THR 6 HG1 THR 6 6.989 7.923 2.980
184 HG21 THR 6 HG21 THR 6 10.248 6.823 5.074
185 HG22 THR 6 HG22 THR 6 8.788 5.894 5.420
186 HG23 THR 6 HG23 THR 6 8.833 7.625 5.754
187 H ILE 7 H ILE 7 10.767 10.075 4.292
188 HA ILE 7 HA ILE 7 8.431 11.733 4.986
189 HB ILE 7 HB ILE 7 9.973 10.502 6.810
190 HG12 ILE 7 HG12 ILE 7 9.342 12.552 8.315
191 HG13 ILE 7 HG13 ILE 7 8.522 13.128 6.867
192 HG21 ILE 7 HG21 ILE 7 11.686 11.874 7.671
193 HG22 ILE 7 HG22 ILE 7 11.955 11.813 5.930
194 HG23 ILE 7 HG23 ILE 7 11.211 13.237 6.657
195 HD11 ILE 7 HD11 ILE 7 7.195 11.077 6.813
196 HD12 ILE 7 HD12 ILE 7 8.005 10.522 8.279
197 HD13 ILE 7 HD13 ILE 7 6.986 11.961 8.324
198 H HIS 8 H HIS 8 11.385 11.585 3.341
199 HA HIS 8 HA HIS 8 11.398 14.515 3.045
200 HB2 HIS 8 HB2 HIS 8 13.513 12.792 3.950
201 HB3 HIS 8 HB3 HIS 8 13.983 13.555 2.434
202 HD1 HIS 8 HD1 HIS 8 14.108 14.112 5.941
203 HD2 HIS 8 HD2 HIS 8 13.475 16.535 2.627
204 HE1 HIS 8 HE1 HIS 8 14.586 16.455 6.720
205 H ASN 9 H ASN 9 10.563 11.829 1.532
206 HA ASN 9 HA ASN 9 11.769 12.493 -1.055
207 HB2 ASN 9 HB2 ASN 9 10.391 10.060 0.036
208 HB3 ASN 9 HB3 ASN 9 10.491 10.308 -1.705
209 HD21 ASN 9 HD21 ASN 9 12.858 11.167 0.758
210 HD22 ASN 9 HD22 ASN 9 14.110 10.128 0.176
211 H LEU 10 H LEU 10 8.559 11.697 0.281
212 HA LEU 10 HA LEU 10 7.382 13.447 -1.779
213 HB2 LEU 10 HB2 LEU 10 5.580 12.015 -2.052
214 HB3 LEU 10 HB3 LEU 10 6.957 10.923 -1.923
215 HG LEU 10 HG LEU 10 5.099 11.559 0.364
216 HD11 LEU 10 HD11 LEU 10 3.918 9.574 -0.077
217 HD12 LEU 10 HD12 LEU 10 5.093 9.045 -1.281
218 HD13 LEU 10 HD13 LEU 10 4.027 10.407 -1.628
219 HD21 LEU 10 HD21 LEU 10 6.109 9.354 1.170
220 HD22 LEU 10 HD22 LEU 10 7.128 10.792 1.244
221 HD23 LEU 10 HD23 LEU 10 7.350 9.617 -0.054
222 H PHE 11 H PHE 11 7.961 13.073 1.465
223 HA PHE 11 HA PHE 11 5.493 14.133 2.487
224 HB2 PHE 11 HB2 PHE 11 7.762 12.872 3.579
225 HB3 PHE 11 HB3 PHE 11 7.711 14.479 4.294
226 HD1 PHE 11 HD1 PHE 11 6.922 14.255 6.445
227 HD2 PHE 11 HD2 PHE 11 4.985 12.145 3.297
228 HE1 PHE 11 HE1 PHE 11 5.192 13.497 8.023
229 HE2 PHE 11 HE2 PHE 11 3.251 11.385 4.869
230 HZ PHE 11 HZ PHE 11 3.353 12.062 7.235
231 H ARG 12 H ARG 12 7.800 15.509 0.664
232 HA ARG 12 HA ARG 12 8.642 17.834 1.841
233 HB2 ARG 12 HB2 ARG 12 7.814 17.222 -0.982
234 HB3 ARG 12 HB3 ARG 12 8.360 18.831 -0.532
235 HG2 ARG 12 HG2 ARG 12 10.497 17.956 0.167
236 HG3 ARG 12 HG3 ARG 12 9.954 16.307 -0.146
237 HD2 ARG 12 HD2 ARG 12 10.141 16.527 -2.403
238 HD3 ARG 12 HD3 ARG 12 9.755 18.247 -2.376
239 HE ARG 12 HE ARG 12 12.349 17.082 -2.316
240 HH11 ARG 12 HH11 ARG 12 10.481 19.779 -1.149
241 HH12 ARG 12 HH12 ARG 12 11.851 20.828 -0.995
242 HH21 ARG 12 HH21 ARG 12 14.160 18.456 -2.119
243 HH22 ARG 12 HH22 ARG 12 13.943 20.075 -1.548
244 H LYS 13 H LYS 13 5.824 17.814 -0.338
245 HA LYS 13 HA LYS 13 4.545 19.776 1.453
246 HB2 LYS 13 HB2 LYS 13 4.953 19.791 -1.485
247 HB3 LYS 13 HB3 LYS 13 3.389 20.355 -0.909
248 HG2 LYS 13 HG2 LYS 13 4.340 22.127 0.287
249 HG3 LYS 13 HG3 LYS 13 5.958 21.424 0.209
250 HD2 LYS 13 HD2 LYS 13 4.548 22.136 -2.324
251 HD3 LYS 13 HD3 LYS 13 5.292 23.414 -1.361
252 HE2 LYS 13 HE2 LYS 13 7.428 22.188 -1.435
253 HE3 LYS 13 HE3 LYS 13 6.671 20.962 -2.451
254 HZ1 LYS 13 HZ1 LYS 13 7.904 23.281 -3.283
255 HZ2 LYS 13 HZ2 LYS 13 6.253 23.553 -3.524
256 HZ3 LYS 13 HZ3 LYS 13 7.001 22.212 -4.233
257 H LEU 14 H LEU 14 4.377 16.704 0.293
258 HA LEU 14 HA LEU 14 1.442 16.637 0.543
259 HB2 LEU 14 HB2 LEU 14 3.228 14.851 -1.102
260 HB3 LEU 14 HB3 LEU 14 1.492 14.628 -0.891
261 HG LEU 14 HG LEU 14 2.250 17.264 -1.926
262 HD11 LEU 14 HD11 LEU 14 2.988 14.747 -3.372
263 HD12 LEU 14 HD12 LEU 14 3.916 16.234 -3.178
264 HD13 LEU 14 HD13 LEU 14 2.520 16.200 -4.255
265 HD21 LEU 14 HD21 LEU 14 0.349 15.172 -2.970
266 HD22 LEU 14 HD22 LEU 14 0.364 16.894 -3.350
267 HD23 LEU 14 HD23 LEU 14 -0.062 16.352 -1.726
268 H THR 15 H THR 15 0.853 15.766 2.407
269 HA THR 15 HA THR 15 2.637 13.991 3.848
270 HB THR 15 HB THR 15 0.480 14.020 5.427
271 HG1 THR 15 HG1 THR 15 -0.895 15.555 4.934
272 HG21 THR 15 HG21 THR 15 2.948 15.224 5.428
273 HG22 THR 15 HG22 THR 15 1.782 15.283 6.751
274 HG23 THR 15 HG23 THR 15 1.852 16.597 5.578
275 H HIS 16 H HIS 16 2.674 11.957 3.086
276 HA HIS 16 HA HIS 16 0.118 10.646 2.460
277 HB2 HIS 16 HB2 HIS 16 2.957 10.018 1.649
278 HB3 HIS 16 HB3 HIS 16 1.623 8.899 1.385
279 HD1 HIS 16 HD1 HIS 16 0.719 9.052 -0.898
280 HD2 HIS 16 HD2 HIS 16 2.186 12.710 0.415
281 HE1 HIS 16 HE1 HIS 16 0.376 10.642 -2.816
282 H ARG 17 H ARG 17 -0.687 9.226 3.851
283 HA ARG 17 HA ARG 17 0.595 8.576 6.277
284 HB2 ARG 17 HB2 ARG 17 -1.298 6.962 6.563
285 HB3 ARG 17 HB3 ARG 17 -1.798 8.607 6.193
286 HG2 ARG 17 HG2 ARG 17 -1.467 7.031 3.791
287 HG3 ARG 17 HG3 ARG 17 -2.612 6.293 4.911
288 HD2 ARG 17 HD2 ARG 17 -3.873 8.367 5.021
289 HD3 ARG 17 HD3 ARG 17 -2.701 9.156 3.968
290 HE ARG 17 HE ARG 17 -4.857 7.467 3.171
291 HH11 ARG 17 HH11 ARG 17 -1.626 8.466 2.345
292 HH12 ARG 17 HH12 ARG 17 -1.813 8.125 0.656
293 HH21 ARG 17 HH21 ARG 17 -5.115 7.015 0.951
294 HH22 ARG 17 HH22 ARG 17 -3.798 7.302 -0.136
295 H LEU 18 H LEU 18 0.994 7.323 3.178
296 HA LEU 18 HA LEU 18 1.351 4.618 3.464
297 HB2 LEU 18 HB2 LEU 18 2.418 4.679 1.469
298 HB3 LEU 18 HB3 LEU 18 1.739 6.305 1.456
299 HG LEU 18 HG LEU 18 4.563 5.629 2.275
300 HD11 LEU 18 HD11 LEU 18 3.790 7.041 -0.245
301 HD12 LEU 18 HD12 LEU 18 3.854 5.280 -0.185
302 HD13 LEU 18 HD13 LEU 18 5.300 6.228 0.163
303 HD21 LEU 18 HD21 LEU 18 4.156 8.329 1.459
304 HD22 LEU 18 HD22 LEU 18 4.689 7.713 3.024
305 HD23 LEU 18 HD23 LEU 18 2.968 7.924 2.698
306 H PHE 19 H PHE 19 3.241 7.167 4.818
307 HA PHE 19 HA PHE 19 5.710 6.018 5.209
308 HB2 PHE 19 HB2 PHE 19 5.339 8.292 5.870
309 HB3 PHE 19 HB3 PHE 19 4.109 7.813 7.036
310 HD1 PHE 19 HD1 PHE 19 7.267 5.995 6.623
311 HD2 PHE 19 HD2 PHE 19 5.143 8.894 8.903
312 HE1 PHE 19 HE1 PHE 19 8.987 5.870 8.377
313 HE2 PHE 19 HE2 PHE 19 6.860 8.774 10.661
314 HZ PHE 19 HZ PHE 19 8.786 7.261 10.400
315 H ARG 20 H ARG 20 3.049 5.932 7.587
316 HA ARG 20 HA ARG 20 4.257 3.513 8.735
317 HB2 ARG 20 HB2 ARG 20 2.367 5.573 9.859
318 HB3 ARG 20 HB3 ARG 20 2.641 4.028 10.652
319 HG2 ARG 20 HG2 ARG 20 4.764 4.571 11.289
320 HG3 ARG 20 HG3 ARG 20 5.005 5.677 9.935
321 HD2 ARG 20 HD2 ARG 20 3.603 7.333 10.968
322 HD3 ARG 20 HD3 ARG 20 3.158 6.213 12.256
323 HE ARG 20 HE ARG 20 5.957 6.547 12.205
324 HH11 ARG 20 HH11 ARG 20 3.035 8.243 13.045
325 HH12 ARG 20 HH12 ARG 20 3.798 9.225 14.252
326 HH21 ARG 20 HH21 ARG 20 6.972 7.834 13.791
327 HH22 ARG 20 HH22 ARG 20 6.038 8.992 14.674
328 H ARG 21 H ARG 21 1.708 4.550 6.786
329 HA ARG 21 HA ARG 21 -0.132 2.440 7.539
330 HB2 ARG 21 HB2 ARG 21 -1.001 4.626 6.833
331 HB3 ARG 21 HB3 ARG 21 -0.238 4.426 5.261
332 HG2 ARG 21 HG2 ARG 21 -2.141 2.338 6.179
333 HG3 ARG 21 HG3 ARG 21 -2.784 3.889 5.637
334 HD2 ARG 21 HD2 ARG 21 -2.340 3.442 3.490
335 HD3 ARG 21 HD3 ARG 21 -0.735 2.816 3.864
336 HE ARG 21 HE ARG 21 -1.597 0.713 3.723
337 HH11 ARG 21 HH11 ARG 21 -4.206 2.934 4.346
338 HH12 ARG 21 HH12 ARG 21 -5.439 1.724 4.217
339 HH21 ARG 21 HH21 ARG 21 -3.212 -0.888 3.552
340 HH22 ARG 21 HH22 ARG 21 -4.873 -0.449 3.767
341 H ASN 22 H ASN 22 2.429 2.947 5.294
342 HA ASN 22 HA ASN 22 1.775 0.386 3.991
343 HB2 ASN 22 HB2 ASN 22 2.263 2.971 2.812
344 HB3 ASN 22 HB3 ASN 22 3.492 1.827 2.281
345 HD21 ASN 22 HD21 ASN 22 0.428 2.994 1.738
346 HD22 ASN 22 HD22 ASN 22 -0.160 1.738 0.708
347 H PHE 23 H PHE 23 4.365 2.581 5.001
348 HA PHE 23 HA PHE 23 6.263 0.345 4.905
349 HB2 PHE 23 HB2 PHE 23 6.747 3.320 5.168
350 HB3 PHE 23 HB3 PHE 23 8.010 2.094 5.137
351 HD1 PHE 23 HD1 PHE 23 8.156 0.608 3.061
352 HD2 PHE 23 HD2 PHE 23 5.963 4.254 3.195
353 HE1 PHE 23 HE1 PHE 23 8.219 0.732 0.604
354 HE2 PHE 23 HE2 PHE 23 6.022 4.383 0.738
355 HZ PHE 23 HZ PHE 23 7.151 2.621 -0.560
356 H GLY 24 H GLY 24 4.138 1.230 7.018
357 HA2 GLY 24 HA2 GLY 24 5.811 1.665 9.352
358 HA3 GLY 24 HA3 GLY 24 4.056 1.562 9.327
359 H TYR 25 H TYR 25 4.532 -1.013 7.661
360 HA TYR 25 HA TYR 25 4.095 -2.834 9.741
361 HB2 TYR 25 HB2 TYR 25 4.173 -4.540 8.088
362 HB3 TYR 25 HB3 TYR 25 3.507 -3.119 7.290
363 HD1 TYR 25 HD1 TYR 25 5.171 -1.655 5.955
364 HD2 TYR 25 HD2 TYR 25 5.989 -5.655 7.152
365 HE1 TYR 25 HE1 TYR 25 6.906 -1.814 4.217
366 HE2 TYR 25 HE2 TYR 25 7.726 -5.825 5.419
367 HH TYR 25 HH TYR 25 7.981 -4.136 2.900
368 H THR 26 H THR 26 7.036 -1.769 8.177
369 HA THR 26 HA THR 26 8.636 -3.769 9.567
370 HB THR 26 HB THR 26 9.124 -1.861 7.347
371 HG1 THR 26 HG1 THR 26 9.919 -4.526 7.975
372 HG21 THR 26 HG21 THR 26 10.824 -1.113 8.894
373 HG22 THR 26 HG22 THR 26 11.582 -2.083 7.632
374 HG23 THR 26 HG23 THR 26 11.302 -2.776 9.228
375 H LEU 27 H LEU 27 8.523 -0.213 9.315
376 HA LEU 27 HA LEU 27 10.345 0.227 11.442
377 HB2 LEU 27 HB2 LEU 27 8.974 1.781 9.534
378 HB3 LEU 27 HB3 LEU 27 8.540 2.426 11.115
379 HG LEU 27 HG LEU 27 11.332 2.132 10.011
380 HD11 LEU 27 HD11 LEU 27 10.609 4.002 8.944
381 HD12 LEU 27 HD12 LEU 27 11.071 4.732 10.480
382 HD13 LEU 27 HD13 LEU 27 9.379 4.356 10.156
383 HD21 LEU 27 HD21 LEU 27 10.297 3.008 12.691
384 HD22 LEU 27 HD22 LEU 27 11.870 3.523 12.080
385 HD23 LEU 27 HD23 LEU 27 11.536 1.808 12.325
386 H ARG 28 H ARG 28 7.332 -1.057 11.542
387 HA ARG 28 HA ARG 28 5.937 0.220 13.549
388 HB2 ARG 28 HB2 ARG 28 5.760 -2.226 12.200
389 HB3 ARG 28 HB3 ARG 28 5.826 -2.651 13.904
390 HG2 ARG 28 HG2 ARG 28 3.887 -1.400 14.394
391 HG3 ARG 28 HG3 ARG 28 3.924 -0.596 12.824
392 HD2 ARG 28 HD2 ARG 28 3.650 -2.936 11.827
393 HD3 ARG 28 HD3 ARG 28 3.217 -3.445 13.458
394 HE ARG 28 HE ARG 28 1.671 -1.208 12.732
395 HH11 ARG 28 HH11 ARG 28 2.035 -4.592 11.998
396 HH12 ARG 28 HH12 ARG 28 0.377 -4.806 11.543
397 HH21 ARG 28 HH21 ARG 28 -0.514 -1.477 12.135
398 HH22 ARG 28 HH22 ARG 28 -1.071 -3.033 11.620