NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
476553 |
2koq   |
16526 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 HT1 ALA 1 -17.691 -2.711 -0.239
2 H2 ALA 1 HT2 ALA 1 -18.274 -2.689 1.361
3 H3 ALA 1 HT3 ALA 1 -18.151 -4.140 0.502
4 HA ALA 1 HA ALA 1 -15.828 -2.429 1.146
5 HB1 ALA 1 HB1 ALA 1 -16.781 -3.391 3.197
6 HB2 ALA 1 HB2 ALA 1 -15.226 -4.127 2.801
7 HB3 ALA 1 HB3 ALA 1 -16.726 -4.995 2.467
8 H ALA 2 HN ALA 2 -13.886 -4.215 1.172
9 HA ALA 2 HA ALA 2 -14.245 -5.781 -1.248
10 HB1 ALA 2 HB1 ALA 2 -12.974 -3.772 -1.834
11 HB2 ALA 2 HB2 ALA 2 -11.955 -5.210 -1.915
12 HB3 ALA 2 HB3 ALA 2 -11.827 -4.114 -0.540
13 H THR 3 HN THR 3 -12.220 -7.280 -1.346
14 HA THR 3 HA THR 3 -12.347 -8.800 1.092
15 HB THR 3 HB THR 3 -10.577 -9.485 -1.213
16 HG1 THR 3 HG1 THR 3 -12.237 -8.889 -2.457
17 HG21 THR 3 HG21 THR 3 -10.888 -10.960 0.686
18 HG22 THR 3 HG22 THR 3 -11.591 -11.682 -0.777
19 HG23 THR 3 HG23 THR 3 -12.628 -10.905 0.434
20 H GLN 4 HN GLN 4 -10.744 -8.590 2.669
21 HA GLN 4 HA GLN 4 -8.881 -6.503 2.684
22 HB2 GLN 4 HB2 GLN 4 -8.717 -9.078 4.233
23 HB3 GLN 4 HB1 GLN 4 -7.796 -7.630 4.573
24 HG2 GLN 4 HG2 GLN 4 -9.876 -6.448 5.084
25 HG3 GLN 4 HG1 GLN 4 -10.773 -7.919 4.730
26 HE21 GLN 4 HE21 GLN 4 -8.714 -9.671 5.852
27 HE22 GLN 4 HE22 GLN 4 -8.876 -9.551 7.561
28 H GLU 5 HN GLU 5 -8.490 -9.808 1.862
29 HA GLU 5 HA GLU 5 -5.637 -9.774 1.614
30 HB2 GLU 5 HB2 GLU 5 -7.685 -11.794 0.688
31 HB3 GLU 5 HB1 GLU 5 -5.953 -12.023 0.532
32 HG2 GLU 5 HG2 GLU 5 -6.850 -13.234 2.421
33 HG3 GLU 5 HG1 GLU 5 -5.720 -11.991 2.983
34 H GLU 6 HN GLU 6 -8.258 -9.148 -0.445
35 HA GLU 6 HA GLU 6 -6.880 -9.231 -2.954
36 HB2 GLU 6 HB2 GLU 6 -9.285 -9.596 -2.787
37 HB3 GLU 6 HB1 GLU 6 -9.462 -8.059 -1.966
38 HG2 GLU 6 HG2 GLU 6 -8.933 -6.888 -4.010
39 HG3 GLU 6 HG1 GLU 6 -8.752 -8.435 -4.851
40 H ILE 7 HN ILE 7 -7.754 -6.885 -0.509
41 HA ILE 7 HA ILE 7 -6.872 -4.510 -1.739
42 HB ILE 7 HB ILE 7 -6.860 -5.253 1.200
43 HG12 ILE 7 HG12 ILE 7 -9.120 -4.227 -0.542
44 HG13 ILE 7 HG11 ILE 7 -9.014 -5.704 0.351
45 HG21 ILE 7 HG21 ILE 7 -7.023 -2.546 -0.133
46 HG22 ILE 7 HG22 ILE 7 -5.629 -3.196 0.728
47 HG23 ILE 7 HG23 ILE 7 -7.117 -2.839 1.604
48 HD11 ILE 7 HD11 ILE 7 -9.155 -3.000 1.638
49 HD12 ILE 7 HD12 ILE 7 -9.115 -4.558 2.459
50 HD13 ILE 7 HD13 ILE 7 -10.497 -4.130 1.451
51 H VAL 8 HN VAL 8 -5.345 -6.560 0.713
52 HA VAL 8 HA VAL 8 -2.796 -5.530 0.682
53 HB VAL 8 HB VAL 8 -3.715 -8.381 1.171
54 HG11 VAL 8 HG11 VAL 8 -1.331 -8.348 0.703
55 HG12 VAL 8 HG12 VAL 8 -1.631 -8.683 2.409
56 HG13 VAL 8 HG13 VAL 8 -1.095 -7.077 1.902
57 HG21 VAL 8 HG21 VAL 8 -4.740 -6.716 2.641
58 HG22 VAL 8 HG22 VAL 8 -3.169 -6.083 3.054
59 HG23 VAL 8 HG23 VAL 8 -3.612 -7.723 3.549
60 H ALA 9 HN ALA 9 -4.180 -8.004 -1.432
61 HA ALA 9 HA ALA 9 -1.821 -8.584 -2.888
62 HB1 ALA 9 HB1 ALA 9 -3.285 -9.638 -4.524
63 HB2 ALA 9 HB2 ALA 9 -4.686 -8.854 -3.792
64 HB3 ALA 9 HB3 ALA 9 -3.784 -10.065 -2.885
65 H GLY 10 HN GLY 10 -4.283 -6.128 -3.238
66 HA2 GLY 10 HA2 GLY 10 -3.541 -5.123 -5.788
67 HA3 GLY 10 HA1 GLY 10 -4.419 -4.255 -4.524
68 H LEU 11 HN LEU 11 -2.586 -4.433 -2.516
69 HA LEU 11 HA LEU 11 -0.787 -2.311 -3.050
70 HB2 LEU 11 HB2 LEU 11 -0.708 -4.399 -0.856
71 HB3 LEU 11 HB1 LEU 11 0.175 -2.886 -0.864
72 HG LEU 11 HG LEU 11 -2.839 -3.037 -0.833
73 HD11 LEU 11 HD11 LEU 11 -0.939 -2.680 1.489
74 HD12 LEU 11 HD12 LEU 11 -1.935 -4.094 1.177
75 HD13 LEU 11 HD13 LEU 11 -2.695 -2.549 1.550
76 HD21 LEU 11 HD21 LEU 11 -2.654 -0.717 -0.090
77 HD22 LEU 11 HD22 LEU 11 -1.902 -0.949 -1.670
78 HD23 LEU 11 HD23 LEU 11 -0.898 -0.811 -0.226
79 H ALA 12 HN ALA 12 -0.394 -5.747 -2.584
80 HA ALA 12 HA ALA 12 2.294 -6.136 -2.851
81 HB1 ALA 12 HB1 ALA 12 0.102 -7.952 -3.802
82 HB2 ALA 12 HB2 ALA 12 0.678 -7.808 -2.142
83 HB3 ALA 12 HB3 ALA 12 1.750 -8.428 -3.393
84 H GLU 13 HN GLU 13 -0.105 -6.108 -5.455
85 HA GLU 13 HA GLU 13 1.749 -6.830 -7.464
86 HB2 GLU 13 HB2 GLU 13 0.018 -6.212 -9.089
87 HB3 GLU 13 HB1 GLU 13 -0.574 -7.273 -7.827
88 HG2 GLU 13 HG2 GLU 13 -1.636 -5.406 -6.736
89 HG3 GLU 13 HG1 GLU 13 -1.004 -4.296 -7.944
90 H ILE 14 HN ILE 14 1.003 -3.832 -6.111
91 HA ILE 14 HA ILE 14 2.246 -2.304 -8.231
92 HB ILE 14 HB ILE 14 1.236 -1.511 -5.484
93 HG12 ILE 14 HG12 ILE 14 0.005 -1.132 -8.201
94 HG13 ILE 14 HG11 ILE 14 -0.413 -2.418 -7.075
95 HG21 ILE 14 HG21 ILE 14 2.023 0.193 -7.845
96 HG22 ILE 14 HG22 ILE 14 2.925 0.041 -6.338
97 HG23 ILE 14 HG23 ILE 14 1.321 0.778 -6.336
98 HD11 ILE 14 HD11 ILE 14 -2.005 -0.592 -7.001
99 HD12 ILE 14 HD12 ILE 14 -0.703 0.532 -6.571
100 HD13 ILE 14 HD13 ILE 14 -1.152 -0.786 -5.470
101 H VAL 15 HN VAL 15 2.864 -3.300 -4.935
102 HA VAL 15 HA VAL 15 5.351 -2.058 -4.602
103 HB VAL 15 HB VAL 15 4.204 -4.522 -3.261
104 HG11 VAL 15 HG11 VAL 15 6.616 -2.901 -2.425
105 HG12 VAL 15 HG12 VAL 15 6.648 -4.557 -3.033
106 HG13 VAL 15 HG13 VAL 15 5.877 -4.201 -1.488
107 HG21 VAL 15 HG21 VAL 15 4.411 -1.661 -2.372
108 HG22 VAL 15 HG22 VAL 15 3.769 -2.993 -1.409
109 HG23 VAL 15 HG23 VAL 15 2.949 -2.498 -2.891
110 H ASN 16 HN ASN 16 4.526 -5.268 -5.850
111 HA ASN 16 HA ASN 16 7.148 -6.254 -6.093
112 HB2 ASN 16 HB2 ASN 16 5.011 -7.564 -6.461
113 HB3 ASN 16 HB1 ASN 16 4.939 -6.835 -8.060
114 HD21 ASN 16 HD21 ASN 16 7.702 -8.059 -6.205
115 HD22 ASN 16 HD22 ASN 16 8.224 -9.196 -7.383
116 H GLU 17 HN GLU 17 5.301 -4.119 -8.070
117 HA GLU 17 HA GLU 17 7.021 -4.193 -10.359
118 HB2 GLU 17 HB2 GLU 17 4.600 -3.822 -10.465
119 HB3 GLU 17 HB1 GLU 17 4.783 -2.349 -9.537
120 HG2 GLU 17 HG2 GLU 17 6.133 -1.416 -11.372
121 HG3 GLU 17 HG1 GLU 17 5.802 -2.878 -12.312
122 H ILE 18 HN ILE 18 6.091 -1.669 -8.069
123 HA ILE 18 HA ILE 18 8.074 0.175 -8.997
124 HB ILE 18 HB ILE 18 6.100 0.303 -6.710
125 HG12 ILE 18 HG12 ILE 18 6.096 1.616 -9.381
126 HG13 ILE 18 HG11 ILE 18 5.215 0.106 -9.076
127 HG21 ILE 18 HG21 ILE 18 7.948 1.791 -6.316
128 HG22 ILE 18 HG22 ILE 18 6.517 2.725 -6.772
129 HG23 ILE 18 HG23 ILE 18 7.813 2.458 -7.942
130 HD11 ILE 18 HD11 ILE 18 3.883 1.380 -7.418
131 HD12 ILE 18 HD12 ILE 18 3.745 2.012 -9.061
132 HD13 ILE 18 HD13 ILE 18 4.768 2.833 -7.884
133 H ALA 19 HN ALA 19 7.570 -1.446 -5.867
134 HA ALA 19 HA ALA 19 9.977 -0.403 -4.688
135 HB1 ALA 19 HB1 ALA 19 9.491 -1.996 -2.896
136 HB2 ALA 19 HB2 ALA 19 8.209 -2.707 -3.878
137 HB3 ALA 19 HB3 ALA 19 8.078 -1.035 -3.326
138 H GLY 20 HN GLY 20 8.873 -3.407 -6.120
139 HA2 GLY 20 HA2 GLY 20 10.140 -4.976 -7.304
140 HA3 GLY 20 HA1 GLY 20 11.613 -4.283 -6.629
141 H ILE 21 HN ILE 21 8.849 -5.042 -4.684
142 HA ILE 21 HA ILE 21 10.398 -7.185 -3.386
143 HB ILE 21 HB ILE 21 8.220 -5.419 -2.204
144 HG12 ILE 21 HG12 ILE 21 10.251 -4.115 -2.559
145 HG13 ILE 21 HG11 ILE 21 10.002 -4.386 -0.842
146 HG21 ILE 21 HG21 ILE 21 9.967 -7.473 -0.850
147 HG22 ILE 21 HG22 ILE 21 8.243 -7.618 -1.172
148 HG23 ILE 21 HG23 ILE 21 8.826 -6.402 -0.036
149 HD11 ILE 21 HD11 ILE 21 12.346 -4.602 -1.446
150 HD12 ILE 21 HD12 ILE 21 11.942 -5.870 -2.608
151 HD13 ILE 21 HD13 ILE 21 11.703 -6.146 -0.882
152 HA PRO 22 HA PRO 22 7.579 -10.372 -4.902
153 HB2 PRO 22 HB2 PRO 22 7.461 -11.310 -2.181
154 HB3 PRO 22 HB1 PRO 22 8.255 -12.040 -3.578
155 HG2 PRO 22 HG2 PRO 22 9.383 -10.334 -1.463
156 HG3 PRO 22 HG1 PRO 22 10.205 -11.461 -2.557
157 HD2 PRO 22 HD2 PRO 22 10.520 -8.820 -2.850
158 HD3 PRO 22 HD1 PRO 22 10.330 -9.895 -4.268
159 H VAL 23 HN VAL 23 5.628 -10.305 -5.299
160 HA VAL 23 HA VAL 23 3.562 -8.748 -4.169
161 HB VAL 23 HB VAL 23 3.309 -11.456 -5.538
162 HG11 VAL 23 HG11 VAL 23 1.302 -9.231 -5.320
163 HG12 VAL 23 HG12 VAL 23 1.239 -10.795 -4.509
164 HG13 VAL 23 HG13 VAL 23 1.104 -10.705 -6.266
165 HG21 VAL 23 HG21 VAL 23 3.006 -10.246 -7.634
166 HG22 VAL 23 HG22 VAL 23 4.603 -9.969 -6.934
167 HG23 VAL 23 HG23 VAL 23 3.355 -8.731 -6.803
168 H GLU 24 HN GLU 24 4.767 -11.850 -3.658
169 HA GLU 24 HA GLU 24 2.671 -12.670 -2.006
170 HB2 GLU 24 HB2 GLU 24 5.217 -14.127 -2.618
171 HB3 GLU 24 HB1 GLU 24 3.868 -14.812 -1.723
172 HG2 GLU 24 HG2 GLU 24 3.820 -13.856 -4.570
173 HG3 GLU 24 HG1 GLU 24 3.817 -15.531 -4.026
174 H ASP 25 HN ASP 25 5.654 -11.081 -1.380
175 HA ASP 25 HA ASP 25 5.641 -12.055 1.373
176 HB2 ASP 25 HB2 ASP 25 7.874 -11.811 0.164
177 HB3 ASP 25 HB1 ASP 25 7.605 -10.068 0.234
178 H VAL 26 HN VAL 26 4.122 -9.882 -0.343
179 HA VAL 26 HA VAL 26 3.947 -7.846 1.651
180 HB VAL 26 HB VAL 26 2.552 -8.320 -1.007
181 HG11 VAL 26 HG11 VAL 26 1.381 -6.237 -0.701
182 HG12 VAL 26 HG12 VAL 26 1.999 -6.092 0.960
183 HG13 VAL 26 HG13 VAL 26 0.890 -7.416 0.515
184 HG21 VAL 26 HG21 VAL 26 4.289 -6.099 0.044
185 HG22 VAL 26 HG22 VAL 26 3.621 -6.198 -1.581
186 HG23 VAL 26 HG23 VAL 26 4.810 -7.391 -1.039
187 H LYS 27 HN LYS 27 3.589 -9.134 3.246
188 HA LYS 27 HA LYS 27 1.230 -10.775 3.746
189 HB2 LYS 27 HB2 LYS 27 3.380 -9.710 5.597
190 HB3 LYS 27 HB1 LYS 27 2.329 -11.091 5.882
191 HG2 LYS 27 HG2 LYS 27 4.288 -11.015 3.606
192 HG3 LYS 27 HG1 LYS 27 4.739 -11.584 5.219
193 HD2 LYS 27 HD2 LYS 27 3.191 -13.375 5.086
194 HD3 LYS 27 HD1 LYS 27 2.422 -12.689 3.654
195 HE2 LYS 27 HE2 LYS 27 3.927 -14.638 3.222
196 HE3 LYS 27 HE1 LYS 27 4.285 -13.183 2.300
197 HZ1 LYS 27 HZ1 LYS 27 6.205 -12.766 3.693
198 HZ2 LYS 27 HZ2 LYS 27 6.259 -14.350 3.190
199 HZ3 LYS 27 HZ3 LYS 27 5.744 -13.995 4.772
200 H LEU 28 HN LEU 28 1.086 -9.717 6.529
201 HA LEU 28 HA LEU 28 -0.281 -7.211 5.826
202 HB2 LEU 28 HB2 LEU 28 -1.744 -9.274 6.221
203 HB3 LEU 28 HB1 LEU 28 -1.296 -9.105 7.907
204 HG LEU 28 HG LEU 28 -2.375 -6.738 6.561
205 HD11 LEU 28 HD11 LEU 28 -3.806 -8.496 5.749
206 HD12 LEU 28 HD12 LEU 28 -4.688 -7.534 6.949
207 HD13 LEU 28 HD13 LEU 28 -4.019 -9.120 7.384
208 HD21 LEU 28 HD21 LEU 28 -3.495 -6.429 8.740
209 HD22 LEU 28 HD22 LEU 28 -1.753 -6.639 8.920
210 HD23 LEU 28 HD23 LEU 28 -2.845 -7.977 9.282
211 H ASP 29 HN ASP 29 1.897 -8.721 7.878
212 HA ASP 29 HA ASP 29 1.875 -6.623 9.905
213 HB2 ASP 29 HB2 ASP 29 2.404 -8.828 10.709
214 HB3 ASP 29 HB1 ASP 29 3.605 -9.068 9.448
215 H LYS 30 HN LYS 30 2.983 -6.998 6.896
216 HA LYS 30 HA LYS 30 5.682 -6.103 7.095
217 HB2 LYS 30 HB2 LYS 30 3.848 -6.421 4.756
218 HB3 LYS 30 HB1 LYS 30 5.501 -5.861 4.620
219 HG2 LYS 30 HG2 LYS 30 4.732 -8.483 5.865
220 HG3 LYS 30 HG1 LYS 30 5.150 -8.284 4.162
221 HD2 LYS 30 HD2 LYS 30 7.344 -7.337 4.874
222 HD3 LYS 30 HD1 LYS 30 6.899 -7.697 6.538
223 HE2 LYS 30 HE2 LYS 30 6.845 -10.034 6.126
224 HE3 LYS 30 HE1 LYS 30 6.974 -9.790 4.384
225 HZ1 LYS 30 HZ1 LYS 30 9.184 -9.018 4.633
226 HZ2 LYS 30 HZ2 LYS 30 9.087 -10.475 5.468
227 HZ3 LYS 30 HZ3 LYS 30 9.070 -8.978 6.305
228 H SER 31 HN SER 31 6.204 -4.066 7.684
229 HA SER 31 HA SER 31 4.607 -1.900 6.877
230 HB2 SER 31 HB2 SER 31 6.666 -0.745 7.880
231 HB3 SER 31 HB1 SER 31 5.674 -1.700 8.976
232 HG SER 31 HG SER 31 8.066 -2.078 9.023
233 H PHE 32 HN PHE 32 4.617 -1.521 4.766
234 HA PHE 32 HA PHE 32 6.046 -2.017 2.636
235 HB2 PHE 32 HB2 PHE 32 5.046 0.683 3.418
236 HB3 PHE 32 HB1 PHE 32 5.757 0.405 1.845
237 HD1 PHE 32 HD1 PHE 32 4.696 -1.481 0.464
238 HD2 PHE 32 HD2 PHE 32 2.826 0.367 3.784
239 HE1 PHE 32 HE1 PHE 32 2.504 -2.182 -0.390
240 HE2 PHE 32 HE2 PHE 32 0.629 -0.326 2.942
241 HZ PHE 32 HZ PHE 32 0.469 -1.596 0.841
242 H THR 33 HN THR 33 7.004 1.259 3.606
243 HA THR 33 HA THR 33 9.635 0.840 2.781
244 HB THR 33 HB THR 33 9.403 3.198 4.251
245 HG1 THR 33 HG1 THR 33 7.345 3.965 3.492
246 HG21 THR 33 HG21 THR 33 9.002 2.574 1.324
247 HG22 THR 33 HG22 THR 33 10.541 2.836 2.117
248 HG23 THR 33 HG23 THR 33 9.380 4.164 1.988
249 H ASP 34 HN ASP 34 9.174 -0.986 4.935
250 HA ASP 34 HA ASP 34 11.337 -0.121 6.637
251 HB2 ASP 34 HB2 ASP 34 9.514 0.771 7.897
252 HB3 ASP 34 HB1 ASP 34 8.626 -0.744 7.774
253 H ASP 35 HN ASP 35 8.900 -2.744 6.788
254 HA ASP 35 HA ASP 35 11.008 -4.634 7.399
255 HB2 ASP 35 HB2 ASP 35 8.490 -4.741 8.223
256 HB3 ASP 35 HB1 ASP 35 8.211 -5.461 6.648
257 H LEU 36 HN LEU 36 8.807 -3.976 4.737
258 HA LEU 36 HA LEU 36 9.872 -5.980 2.970
259 HB2 LEU 36 HB2 LEU 36 8.288 -3.471 2.367
260 HB3 LEU 36 HB1 LEU 36 8.668 -4.707 1.192
261 HG LEU 36 HG LEU 36 6.954 -5.161 3.639
262 HD11 LEU 36 HD11 LEU 36 5.901 -3.582 2.100
263 HD12 LEU 36 HD12 LEU 36 5.078 -5.143 2.069
264 HD13 LEU 36 HD13 LEU 36 6.171 -4.697 0.759
265 HD21 LEU 36 HD21 LEU 36 7.429 -6.848 1.174
266 HD22 LEU 36 HD22 LEU 36 6.328 -7.216 2.503
267 HD23 LEU 36 HD23 LEU 36 8.066 -7.169 2.787
268 H ASP 37 HN ASP 37 10.152 -2.519 3.291
269 HA ASP 37 HA ASP 37 11.732 -1.035 2.977
270 HB2 ASP 37 HB2 ASP 37 13.390 -2.624 3.910
271 HB3 ASP 37 HB1 ASP 37 13.648 -3.287 2.299
272 H VAL 38 HN VAL 38 10.656 -0.145 1.484
273 HA VAL 38 HA VAL 38 10.831 -0.964 -1.291
274 HB VAL 38 HB VAL 38 9.204 1.207 0.109
275 HG11 VAL 38 HG11 VAL 38 7.907 1.445 -1.955
276 HG12 VAL 38 HG12 VAL 38 9.005 0.336 -2.781
277 HG13 VAL 38 HG13 VAL 38 9.595 1.895 -2.206
278 HG21 VAL 38 HG21 VAL 38 8.388 -1.464 -1.019
279 HG22 VAL 38 HG22 VAL 38 7.296 -0.263 -0.329
280 HG23 VAL 38 HG23 VAL 38 8.512 -1.035 0.688
281 H ASP 39 HN ASP 39 10.635 2.346 -0.241
282 HA ASP 39 HA ASP 39 13.120 3.423 -0.460
283 HB2 ASP 39 HB2 ASP 39 12.761 2.611 -3.043
284 HB3 ASP 39 HB1 ASP 39 11.528 3.889 -2.860
285 H SER 40 HN SER 40 12.620 5.734 -1.025
286 HA SER 40 HA SER 40 10.269 6.376 0.620
287 HB2 SER 40 HB2 SER 40 12.489 7.322 1.260
288 HB3 SER 40 HB1 SER 40 12.528 8.200 -0.270
289 H LEU 41 HN LEU 41 11.715 6.941 -2.475
290 HA LEU 41 HA LEU 41 9.658 8.843 -3.191
291 HB2 LEU 41 HB2 LEU 41 11.961 7.870 -4.869
292 HB3 LEU 41 HB1 LEU 41 10.967 9.284 -5.160
293 HG LEU 41 HG LEU 41 13.015 8.888 -2.993
294 HD11 LEU 41 HD11 LEU 41 14.086 10.841 -3.979
295 HD12 LEU 41 HD12 LEU 41 12.853 10.866 -5.239
296 HD13 LEU 41 HD13 LEU 41 13.949 9.491 -5.104
297 HD21 LEU 41 HD21 LEU 41 11.070 11.206 -3.269
298 HD22 LEU 41 HD22 LEU 41 12.463 11.165 -2.185
299 HD23 LEU 41 HD23 LEU 41 11.145 10.042 -1.941
300 H SER 42 HN SER 42 10.638 5.553 -3.828
301 HA SER 42 HA SER 42 8.849 5.091 -5.973
302 HB2 SER 42 HB2 SER 42 10.089 3.144 -4.011
303 HB3 SER 42 HB1 SER 42 9.391 2.740 -5.571
304 HG SER 42 HG SER 42 10.989 3.703 -6.608
305 H MET 43 HN MET 43 8.590 5.236 -2.540
306 HA MET 43 HA MET 43 6.366 3.656 -2.011
307 HB2 MET 43 HB2 MET 43 7.762 4.605 -0.291
308 HB3 MET 43 HB1 MET 43 7.238 6.227 -0.729
309 HG2 MET 43 HG2 MET 43 6.117 5.266 1.242
310 HG3 MET 43 HG1 MET 43 5.040 5.803 -0.054
311 HE1 MET 43 HE1 MET 43 6.785 2.685 1.544
312 HE2 MET 43 HE2 MET 43 7.235 2.677 -0.150
313 HE3 MET 43 HE3 MET 43 6.200 1.388 0.491
314 H VAL 44 HN VAL 44 6.633 7.030 -3.009
315 HA VAL 44 HA VAL 44 3.906 7.647 -2.729
316 HB VAL 44 HB VAL 44 5.975 9.068 -4.432
317 HG11 VAL 44 HG11 VAL 44 3.394 10.084 -3.243
318 HG12 VAL 44 HG12 VAL 44 3.700 9.782 -4.954
319 HG13 VAL 44 HG13 VAL 44 4.581 11.057 -4.109
320 HG21 VAL 44 HG21 VAL 44 6.749 8.825 -2.145
321 HG22 VAL 44 HG22 VAL 44 5.228 9.466 -1.538
322 HG23 VAL 44 HG23 VAL 44 6.312 10.504 -2.461
323 H GLU 45 HN GLU 45 5.678 6.043 -5.246
324 HA GLU 45 HA GLU 45 3.770 6.517 -7.308
325 HB2 GLU 45 HB2 GLU 45 5.863 4.361 -7.033
326 HB3 GLU 45 HB1 GLU 45 5.006 4.794 -8.505
327 HG2 GLU 45 HG2 GLU 45 6.067 6.972 -8.493
328 HG3 GLU 45 HG1 GLU 45 6.890 6.567 -6.986
329 H VAL 46 HN VAL 46 4.360 4.116 -4.852
330 HA VAL 46 HA VAL 46 2.442 2.183 -5.660
331 HB VAL 46 HB VAL 46 3.387 2.864 -2.843
332 HG11 VAL 46 HG11 VAL 46 2.768 0.555 -2.277
333 HG12 VAL 46 HG12 VAL 46 2.136 0.336 -3.912
334 HG13 VAL 46 HG13 VAL 46 1.377 1.495 -2.823
335 HG21 VAL 46 HG21 VAL 46 5.019 1.050 -3.122
336 HG22 VAL 46 HG22 VAL 46 5.277 2.341 -4.298
337 HG23 VAL 46 HG23 VAL 46 4.492 0.842 -4.793
338 H VAL 47 HN VAL 47 2.332 4.899 -3.460
339 HA VAL 47 HA VAL 47 -0.328 4.749 -2.650
340 HB VAL 47 HB VAL 47 1.224 7.301 -3.102
341 HG11 VAL 47 HG11 VAL 47 -1.015 6.647 -1.190
342 HG12 VAL 47 HG12 VAL 47 -1.152 7.632 -2.634
343 HG13 VAL 47 HG13 VAL 47 -0.161 8.185 -1.285
344 HG21 VAL 47 HG21 VAL 47 1.227 5.481 -0.692
345 HG22 VAL 47 HG22 VAL 47 1.995 7.065 -0.783
346 HG23 VAL 47 HG23 VAL 47 2.577 5.745 -1.798
347 H VAL 48 HN VAL 48 1.047 6.833 -5.197
348 HA VAL 48 HA VAL 48 -1.330 7.897 -6.157
349 HB VAL 48 HB VAL 48 1.156 8.403 -6.602
350 HG11 VAL 48 HG11 VAL 48 1.974 7.938 -8.845
351 HG12 VAL 48 HG12 VAL 48 0.641 6.777 -8.994
352 HG13 VAL 48 HG13 VAL 48 1.869 6.551 -7.744
353 HG21 VAL 48 HG21 VAL 48 -0.564 9.943 -7.215
354 HG22 VAL 48 HG22 VAL 48 -0.954 8.998 -8.654
355 HG23 VAL 48 HG23 VAL 48 0.592 9.839 -8.543
356 H ALA 49 HN ALA 49 0.323 5.059 -7.152
357 HA ALA 49 HA ALA 49 -1.492 4.329 -9.247
358 HB1 ALA 49 HB1 ALA 49 0.783 3.408 -9.160
359 HB2 ALA 49 HB2 ALA 49 -0.430 2.135 -9.264
360 HB3 ALA 49 HB3 ALA 49 0.352 2.486 -7.721
361 H ALA 50 HN ALA 50 -1.376 3.611 -5.829
362 HA ALA 50 HA ALA 50 -3.236 1.553 -5.723
363 HB1 ALA 50 HB1 ALA 50 -1.786 2.133 -3.841
364 HB2 ALA 50 HB2 ALA 50 -3.478 2.079 -3.351
365 HB3 ALA 50 HB3 ALA 50 -2.683 3.634 -3.608
366 H GLU 51 HN GLU 51 -3.647 5.018 -5.842
367 HA GLU 51 HA GLU 51 -6.297 5.282 -5.100
368 HB2 GLU 51 HB2 GLU 51 -4.773 6.827 -7.200
369 HB3 GLU 51 HB1 GLU 51 -6.235 7.360 -6.378
370 HG2 GLU 51 HG2 GLU 51 -5.062 7.371 -4.249
371 HG3 GLU 51 HG1 GLU 51 -3.605 6.785 -5.034
372 H GLU 52 HN GLU 52 -4.913 4.514 -8.243
373 HA GLU 52 HA GLU 52 -7.497 4.286 -9.496
374 HB2 GLU 52 HB2 GLU 52 -5.662 5.132 -10.798
375 HB3 GLU 52 HB1 GLU 52 -4.711 3.692 -10.462
376 HG2 GLU 52 HG2 GLU 52 -6.227 2.345 -11.737
377 HG3 GLU 52 HG1 GLU 52 -7.287 3.729 -12.020
378 H ARG 53 HN ARG 53 -5.089 2.171 -8.136
379 HA ARG 53 HA ARG 53 -5.891 -0.249 -9.364
380 HB2 ARG 53 HB2 ARG 53 -3.673 0.043 -8.468
381 HB3 ARG 53 HB1 ARG 53 -4.312 0.331 -6.864
382 HG2 ARG 53 HG2 ARG 53 -3.347 -1.861 -6.935
383 HG3 ARG 53 HG1 ARG 53 -5.092 -2.027 -6.804
384 HD2 ARG 53 HD2 ARG 53 -3.587 -2.203 -9.407
385 HD3 ARG 53 HD1 ARG 53 -3.944 -3.601 -8.397
386 HE ARG 53 HE ARG 53 -6.313 -2.203 -8.907
387 HH11 ARG 53 HH11 ARG 53 -4.017 -4.390 -10.521
388 HH12 ARG 53 HH12 ARG 53 -5.126 -4.814 -11.755
389 HH21 ARG 53 HH21 ARG 53 -7.816 -2.858 -10.550
390 HH22 ARG 53 HH22 ARG 53 -7.308 -3.927 -11.765
391 H PHE 54 HN PHE 54 -6.728 1.335 -6.387
392 HA PHE 54 HA PHE 54 -8.429 -0.905 -5.608
393 HB2 PHE 54 HB2 PHE 54 -7.448 1.523 -4.146
394 HB3 PHE 54 HB1 PHE 54 -8.563 0.354 -3.472
395 HD1 PHE 54 HD2 PHE 54 -5.140 0.789 -4.793
396 HD2 PHE 54 HD1 PHE 54 -7.758 -1.617 -2.487
397 HE1 PHE 54 HE2 PHE 54 -3.229 -0.520 -3.999
398 HE2 PHE 54 HE1 PHE 54 -5.823 -2.909 -1.678
399 HZ PHE 54 HZ PHE 54 -3.585 -2.365 -2.449
400 H ASP 55 HN ASP 55 -8.622 2.037 -7.190
401 HA ASP 55 HA ASP 55 -10.180 3.590 -7.617
402 HB2 ASP 55 HB2 ASP 55 -12.087 1.306 -7.027
403 HB3 ASP 55 HB1 ASP 55 -12.630 2.877 -7.593
404 H VAL 56 HN VAL 56 -9.294 4.611 -5.803
405 HA VAL 56 HA VAL 56 -11.263 5.500 -3.980
406 HB VAL 56 HB VAL 56 -10.452 3.336 -2.947
407 HG11 VAL 56 HG11 VAL 56 -8.241 3.243 -3.734
408 HG12 VAL 56 HG12 VAL 56 -8.245 3.166 -1.972
409 HG13 VAL 56 HG13 VAL 56 -7.789 4.666 -2.789
410 HG21 VAL 56 HG21 VAL 56 -10.145 4.072 -0.701
411 HG22 VAL 56 HG22 VAL 56 -11.275 5.196 -1.456
412 HG23 VAL 56 HG23 VAL 56 -9.580 5.647 -1.205
413 H LYS 57 HN LYS 57 -9.849 7.168 -2.444
414 HA LYS 57 HA LYS 57 -7.702 8.240 -4.127
415 HB2 LYS 57 HB2 LYS 57 -9.959 9.432 -4.326
416 HB3 LYS 57 HB1 LYS 57 -9.764 9.878 -2.641
417 HG2 LYS 57 HG2 LYS 57 -9.119 11.684 -4.130
418 HG3 LYS 57 HG1 LYS 57 -7.735 11.103 -3.195
419 HD2 LYS 57 HD2 LYS 57 -6.992 9.772 -5.073
420 HD3 LYS 57 HD1 LYS 57 -8.401 10.274 -6.010
421 HE2 LYS 57 HE2 LYS 57 -7.641 12.504 -6.119
422 HE3 LYS 57 HE1 LYS 57 -6.393 12.211 -4.904
423 HZ1 LYS 57 HZ1 LYS 57 -5.334 10.718 -6.380
424 HZ2 LYS 57 HZ2 LYS 57 -5.426 12.255 -7.079
425 HZ3 LYS 57 HZ3 LYS 57 -6.457 10.988 -7.622
426 H ILE 58 HN ILE 58 -6.024 7.646 -2.953
427 HA ILE 58 HA ILE 58 -6.034 8.312 -0.087
428 HB ILE 58 HB ILE 58 -4.097 6.408 -1.435
429 HG12 ILE 58 HG12 ILE 58 -6.629 5.633 0.032
430 HG13 ILE 58 HG11 ILE 58 -6.442 5.582 -1.715
431 HG21 ILE 58 HG21 ILE 58 -3.421 7.321 0.747
432 HG22 ILE 58 HG22 ILE 58 -3.791 5.598 0.900
433 HG23 ILE 58 HG23 ILE 58 -4.946 6.796 1.453
434 HD11 ILE 58 HD11 ILE 58 -4.845 3.988 0.273
435 HD12 ILE 58 HD12 ILE 58 -4.678 3.931 -1.487
436 HD13 ILE 58 HD13 ILE 58 -6.171 3.384 -0.722
437 HA PRO 59 HA PRO 59 -3.102 11.196 -1.912
438 HB2 PRO 59 HB2 PRO 59 -3.212 13.031 0.046
439 HB3 PRO 59 HB1 PRO 59 -4.477 12.888 -1.179
440 HG2 PRO 59 HG2 PRO 59 -4.454 11.922 1.643
441 HG3 PRO 59 HG1 PRO 59 -5.780 12.647 0.712
442 HD2 PRO 59 HD2 PRO 59 -5.471 9.950 1.160
443 HD3 PRO 59 HD1 PRO 59 -6.378 10.646 -0.197
444 H ASP 60 HN ASP 60 -0.953 11.418 -1.597
445 HA ASP 60 HA ASP 60 0.525 9.852 0.113
446 HB2 ASP 60 HB2 ASP 60 1.632 10.700 -1.778
447 HB3 ASP 60 HB1 ASP 60 1.190 12.362 -1.402
448 H ASP 61 HN ASP 61 -0.767 12.954 0.636
449 HA ASP 61 HA ASP 61 0.489 13.927 2.885
450 HB2 ASP 61 HB2 ASP 61 -1.242 15.200 1.794
451 HB3 ASP 61 HB1 ASP 61 -2.450 13.985 2.189
452 H ASP 62 HN ASP 62 -2.404 11.823 2.948
453 HA ASP 62 HA ASP 62 -1.956 11.362 5.789
454 HB2 ASP 62 HB2 ASP 62 -4.249 11.860 4.958
455 HB3 ASP 62 HB1 ASP 62 -4.191 10.353 4.044
456 H VAL 63 HN VAL 63 -1.358 9.749 2.863
457 HA VAL 63 HA VAL 63 -1.543 7.090 3.666
458 HB VAL 63 HB VAL 63 -1.073 8.103 1.314
459 HG11 VAL 63 HG11 VAL 63 1.750 7.577 2.193
460 HG12 VAL 63 HG12 VAL 63 1.050 9.137 1.767
461 HG13 VAL 63 HG13 VAL 63 1.230 7.884 0.535
462 HG21 VAL 63 HG21 VAL 63 -1.522 5.784 1.699
463 HG22 VAL 63 HG22 VAL 63 0.164 5.509 2.161
464 HG23 VAL 63 HG23 VAL 63 -0.238 5.981 0.506
465 H LYS 64 HN LYS 64 0.768 9.441 4.491
466 HA LYS 64 HA LYS 64 2.952 7.814 5.063
467 HB2 LYS 64 HB2 LYS 64 2.272 10.468 6.326
468 HB3 LYS 64 HB1 LYS 64 3.861 9.720 6.262
469 HG2 LYS 64 HG2 LYS 64 3.817 9.895 3.795
470 HG3 LYS 64 HG1 LYS 64 2.264 10.714 3.898
471 HD2 LYS 64 HD2 LYS 64 3.385 12.419 5.367
472 HD3 LYS 64 HD1 LYS 64 4.918 11.655 4.948
473 HE2 LYS 64 HE2 LYS 64 2.960 12.907 3.016
474 HE3 LYS 64 HE1 LYS 64 4.483 13.612 3.538
475 HZ1 LYS 64 HZ1 LYS 64 5.560 11.563 2.472
476 HZ2 LYS 64 HZ2 LYS 64 4.908 12.740 1.514
477 HZ3 LYS 64 HZ3 LYS 64 4.062 11.321 1.674
478 H ASN 65 HN ASN 65 -0.008 8.095 6.608
479 HA ASN 65 HA ASN 65 1.006 7.353 9.244
480 HB2 ASN 65 HB2 ASN 65 -1.822 8.015 8.374
481 HB3 ASN 65 HB1 ASN 65 -1.311 7.678 10.025
482 HD21 ASN 65 HD21 ASN 65 -1.317 9.959 7.453
483 HD22 ASN 65 HD22 ASN 65 -0.692 11.312 8.336
484 H LEU 66 HN LEU 66 0.110 5.823 6.439
485 HA LEU 66 HA LEU 66 -1.404 3.692 7.617
486 HB2 LEU 66 HB2 LEU 66 -0.075 3.860 4.907
487 HB3 LEU 66 HB1 LEU 66 -1.095 2.536 5.430
488 HG LEU 66 HG LEU 66 -1.980 5.399 5.031
489 HD11 LEU 66 HD11 LEU 66 -1.562 4.240 2.945
490 HD12 LEU 66 HD12 LEU 66 -3.293 4.465 3.189
491 HD13 LEU 66 HD13 LEU 66 -2.557 2.888 3.480
492 HD21 LEU 66 HD21 LEU 66 -3.553 2.950 5.809
493 HD22 LEU 66 HD22 LEU 66 -4.237 4.512 5.403
494 HD23 LEU 66 HD23 LEU 66 -3.221 4.343 6.840
495 H LYS 67 HN LYS 67 1.852 3.926 6.294
496 HA LYS 67 HA LYS 67 3.687 2.890 6.533
497 HB2 LYS 67 HB2 LYS 67 4.525 2.338 8.911
498 HB3 LYS 67 HB1 LYS 67 4.148 3.989 8.488
499 HG2 LYS 67 HG2 LYS 67 3.407 3.586 10.718
500 HG3 LYS 67 HG1 LYS 67 1.984 3.731 9.695
501 HD2 LYS 67 HD2 LYS 67 1.782 1.265 9.679
502 HD3 LYS 67 HD1 LYS 67 3.193 1.160 10.741
503 HE2 LYS 67 HE2 LYS 67 2.026 2.442 12.452
504 HE3 LYS 67 HE1 LYS 67 0.636 2.626 11.392
505 HZ1 LYS 67 HZ1 LYS 67 0.367 0.892 13.081
506 HZ2 LYS 67 HZ2 LYS 67 1.603 -0.024 12.390
507 HZ3 LYS 67 HZ3 LYS 67 0.205 0.276 11.537
508 H THR 68 HN THR 68 1.205 0.795 7.361
509 HA THR 68 HA THR 68 3.033 -1.357 6.510
510 HB THR 68 HB THR 68 1.639 -3.002 7.686
511 HG1 THR 68 HG1 THR 68 0.443 -1.276 9.469
512 HG21 THR 68 HG21 THR 68 3.668 -2.265 8.699
513 HG22 THR 68 HG22 THR 68 2.446 -2.591 9.933
514 HG23 THR 68 HG23 THR 68 2.843 -0.912 9.488
515 H VAL 69 HN VAL 69 1.886 -3.196 5.638
516 HA VAL 69 HA VAL 69 0.071 -2.517 3.597
517 HB VAL 69 HB VAL 69 -0.165 -5.101 3.527
518 HG11 VAL 69 HG11 VAL 69 2.074 -5.317 2.478
519 HG12 VAL 69 HG12 VAL 69 2.577 -3.817 3.261
520 HG13 VAL 69 HG13 VAL 69 1.329 -3.787 2.017
521 HG21 VAL 69 HG21 VAL 69 0.536 -5.519 5.772
522 HG22 VAL 69 HG22 VAL 69 2.113 -4.803 5.436
523 HG23 VAL 69 HG23 VAL 69 1.630 -6.295 4.631
524 H GLY 70 HN GLY 70 -0.276 -4.024 6.779
525 HA2 GLY 70 HA2 GLY 70 -3.000 -4.690 6.555
526 HA3 GLY 70 HA1 GLY 70 -2.095 -4.520 8.051
527 H ASP 71 HN ASP 71 -1.362 -1.825 7.825
528 HA ASP 71 HA ASP 71 -3.885 -0.700 8.547
529 HB2 ASP 71 HB2 ASP 71 -1.144 0.539 8.536
530 HB3 ASP 71 HB1 ASP 71 -2.600 1.379 9.049
531 H ALA 72 HN ALA 72 -1.829 -0.546 5.742
532 HA ALA 72 HA ALA 72 -3.098 1.613 4.454
533 HB1 ALA 72 HB1 ALA 72 -1.063 0.558 3.553
534 HB2 ALA 72 HB2 ALA 72 -2.350 0.566 2.347
535 HB3 ALA 72 HB3 ALA 72 -1.972 -0.917 3.224
536 H THR 73 HN THR 73 -3.708 -1.890 4.162
537 HA THR 73 HA THR 73 -6.080 -1.999 2.942
538 HB THR 73 HB THR 73 -5.184 -3.583 5.350
539 HG1 THR 73 HG1 THR 73 -3.646 -3.893 3.833
540 HG21 THR 73 HG21 THR 73 -7.561 -3.932 4.833
541 HG22 THR 73 HG22 THR 73 -6.627 -5.371 4.395
542 HG23 THR 73 HG23 THR 73 -7.156 -4.232 3.150
543 H LYS 74 HN LYS 74 -5.635 -1.363 6.487
544 HA LYS 74 HA LYS 74 -8.256 -1.246 7.281
545 HB2 LYS 74 HB2 LYS 74 -6.403 -1.075 8.825
546 HB3 LYS 74 HB1 LYS 74 -5.940 0.477 8.150
547 HG2 LYS 74 HG2 LYS 74 -8.023 1.455 8.965
548 HG3 LYS 74 HG1 LYS 74 -8.489 -0.111 9.640
549 HD2 LYS 74 HD2 LYS 74 -6.453 -0.082 10.996
550 HD3 LYS 74 HD1 LYS 74 -6.082 1.524 10.384
551 HE2 LYS 74 HE2 LYS 74 -8.596 0.828 11.915
552 HE3 LYS 74 HE1 LYS 74 -7.178 1.601 12.615
553 HZ1 LYS 74 HZ1 LYS 74 -7.515 3.478 11.119
554 HZ2 LYS 74 HZ2 LYS 74 -8.901 3.204 12.045
555 HZ3 LYS 74 HZ3 LYS 74 -8.874 2.736 10.441
556 H TYR 75 HN TYR 75 -6.402 1.243 5.583
557 HA TYR 75 HA TYR 75 -8.336 3.317 5.938
558 HB2 TYR 75 HB2 TYR 75 -5.913 3.754 5.533
559 HB3 TYR 75 HB1 TYR 75 -6.076 3.049 3.935
560 HD1 TYR 75 HD2 TYR 75 -7.353 4.295 2.165
561 HD2 TYR 75 HD1 TYR 75 -6.572 6.005 5.984
562 HE1 TYR 75 HE2 TYR 75 -7.867 6.525 1.272
563 HE2 TYR 75 HE1 TYR 75 -7.082 8.239 5.088
564 HH TYR 75 HH TYR 75 -7.187 9.421 2.958
565 H ILE 76 HN ILE 76 -7.290 1.246 3.322
566 HA ILE 76 HA ILE 76 -9.142 2.085 1.381
567 HB ILE 76 HB ILE 76 -7.696 -0.558 1.614
568 HG12 ILE 76 HG12 ILE 76 -6.796 1.978 0.236
569 HG13 ILE 76 HG11 ILE 76 -6.238 1.473 1.826
570 HG21 ILE 76 HG21 ILE 76 -8.780 0.966 -0.771
571 HG22 ILE 76 HG22 ILE 76 -9.492 -0.490 -0.074
572 HG23 ILE 76 HG23 ILE 76 -7.906 -0.563 -0.838
573 HD11 ILE 76 HD11 ILE 76 -5.284 -0.528 0.850
574 HD12 ILE 76 HD12 ILE 76 -4.630 0.935 0.105
575 HD13 ILE 76 HD13 ILE 76 -5.846 -0.027 -0.746
576 H LEU 77 HN LEU 77 -9.169 -0.747 3.524
577 HA LEU 77 HA LEU 77 -11.554 -1.887 2.621
578 HB2 LEU 77 HB2 LEU 77 -10.000 -2.994 4.162
579 HB3 LEU 77 HB1 LEU 77 -10.421 -1.854 5.419
580 HG LEU 77 HG LEU 77 -12.733 -2.763 5.413
581 HD11 LEU 77 HD11 LEU 77 -12.820 -3.614 3.152
582 HD12 LEU 77 HD12 LEU 77 -13.175 -4.893 4.313
583 HD13 LEU 77 HD13 LEU 77 -11.592 -4.818 3.540
584 HD21 LEU 77 HD21 LEU 77 -10.538 -4.772 5.897
585 HD22 LEU 77 HD22 LEU 77 -12.170 -4.856 6.557
586 HD23 LEU 77 HD23 LEU 77 -11.092 -3.543 7.033
587 H ASP 78 HN ASP 78 -11.025 0.725 4.809
588 HA ASP 78 HA ASP 78 -13.859 0.850 5.547
589 HB2 ASP 78 HB2 ASP 78 -12.108 1.224 7.262
590 HB3 ASP 78 HB1 ASP 78 -11.610 2.673 6.404
591 H HIS 79 HN HIS 79 -11.596 2.516 3.569
592 HA HIS 79 HA HIS 79 -13.402 4.725 2.997
593 HB2 HIS 79 HB2 HIS 79 -10.508 4.240 2.501
594 HB3 HIS 79 HB1 HIS 79 -11.284 5.509 1.599
595 HD1 HIS 79 HD1 HIS 79 -11.340 7.766 2.804
596 HD2 HIS 79 HD2 HIS 79 -10.656 4.589 5.411
597 HE1 HIS 79 HE1 HIS 79 -10.797 8.794 4.996
598 HE2 HIS 79 HE2 HIS 79 -10.148 6.888 6.481
599 H GLN 80 HN GLN 80 -13.161 1.748 1.820
600 HA GLN 80 HA GLN 80 -13.055 1.567 -0.863
601 HB2 GLN 80 HB2 GLN 80 -15.145 0.597 1.010
602 HB3 GLN 80 HB1 GLN 80 -15.114 0.039 -0.674
603 HG2 GLN 80 HG2 GLN 80 -13.026 -0.338 1.463
604 HG3 GLN 80 HG1 GLN 80 -14.180 -1.550 0.936
605 HE21 GLN 80 HE21 GLN 80 -11.335 -1.633 0.970
606 HE22 GLN 80 HE22 GLN 80 -10.813 -1.904 -0.657
607 H ALA 81 HN ALA 81 -14.134 2.317 -2.597
608 HA ALA 81 HA ALA 81 -16.111 4.394 -2.155
609 HB1 ALA 81 HB1 ALA 81 -15.773 4.928 -4.525
610 HB2 ALA 81 HB2 ALA 81 -14.725 3.519 -4.695
611 HB3 ALA 81 HB3 ALA 81 -14.235 4.864 -3.665
612 H2 SHW 101 H2A SHW 101 3.057 6.062 3.067
613 H2A SHW 101 H2B SHW 101 3.951 4.930 2.075
614 H3 SHW 101 H3A SHW 101 3.334 4.522 5.015
615 HO3 SHW 101 HO3 SHW 101 5.290 3.501 3.699
616 H4 SHW 101 H4A SHW 101 1.338 4.312 3.682
617 H4A SHW 101 H4B SHW 101 1.881 2.696 4.108
618 H5 SHW 101 H5A SHW 101 2.776 2.351 1.911
619 H5A SHW 101 H5B SHW 101 2.439 4.022 1.461
620 H6 SHW 101 H6A SHW 101 0.028 3.584 1.794
621 H6A SHW 101 H6B SHW 101 0.415 1.888 2.102
622 H7 SHW 101 H7A SHW 101 1.323 1.648 -0.131
623 H7A SHW 101 H7B SHW 101 1.089 3.379 -0.439
624 H8 SHW 101 H8C SHW 101 -1.320 3.079 -0.160
625 H8A SHW 101 H8A SHW 101 -1.074 1.361 0.144
626 H8B SHW 101 H8B SHW 101 -0.694 2.037 -1.439
627 H28 SHW 101 H28A SHW 101 10.802 8.884 4.470
628 H28A SHW 101 H28B SHW 101 10.963 7.464 3.453
629 H30 SHW 101 H30A SHW 101 12.459 5.639 3.959
630 H30A SHW 101 H30B SHW 101 13.637 5.746 5.268
631 H30B SHW 101 H30C SHW 101 13.806 6.773 3.843
632 H31 SHW 101 H31A SHW 101 13.701 7.788 6.719
633 H31A SHW 101 H31B SHW 101 12.586 9.117 6.404
634 H31B SHW 101 H31C SHW 101 13.888 8.770 5.266
635 H32 SHW 101 H32A SHW 101 11.812 6.155 6.983
636 HO33 SHW 101 H33A SHW 101 9.638 7.663 6.652
637 HN36 SHW 101 H36A SHW 101 9.523 5.687 7.496
638 H37 SHW 101 H37A SHW 101 7.945 4.503 5.319
639 H37A SHW 101 H37B SHW 101 8.596 3.385 6.519
640 H38 SHW 101 H38A SHW 101 6.261 3.999 6.978
641 H38A SHW 101 H38B SHW 101 7.334 4.513 8.273
642 HN41 SHW 101 H41A SHW 101 7.292 6.209 5.293
643 H42 SHW 101 H42A SHW 101 5.475 8.352 6.008
644 H42A SHW 101 H42B SHW 101 7.186 8.728 6.006
645 H43 SHW 101 H43A SHW 101 7.316 7.836 3.642
646 H43A SHW 101 H43B SHW 101 6.538 9.371 3.963
Start of MODEL 2
1 H1 ALA 1 HT1 ALA 1 -18.324 -2.271 1.314
2 H2 ALA 1 HT2 ALA 1 -18.459 -3.720 0.434
3 H3 ALA 1 HT3 ALA 1 -17.679 -2.399 -0.254
4 HA ALA 1 HA ALA 1 -15.908 -2.516 1.263
5 HB1 ALA 1 HB1 ALA 1 -15.764 -4.370 2.860
6 HB2 ALA 1 HB2 ALA 1 -17.384 -4.897 2.395
7 HB3 ALA 1 HB3 ALA 1 -17.160 -3.345 3.201
8 H ALA 2 HN ALA 2 -14.136 -4.014 0.857
9 HA ALA 2 HA ALA 2 -14.711 -5.851 -1.366
10 HB1 ALA 2 HB1 ALA 2 -12.413 -5.395 -2.138
11 HB2 ALA 2 HB2 ALA 2 -12.202 -4.243 -0.821
12 HB3 ALA 2 HB3 ALA 2 -13.377 -3.922 -2.092
13 H THR 3 HN THR 3 -12.801 -7.569 -1.457
14 HA THR 3 HA THR 3 -12.662 -8.746 1.117
15 HB THR 3 HB THR 3 -11.120 -10.315 -0.354
16 HG1 THR 3 HG1 THR 3 -11.324 -10.040 -2.529
17 HG21 THR 3 HG21 THR 3 -13.108 -11.479 -1.195
18 HG22 THR 3 HG22 THR 3 -14.083 -10.043 -0.870
19 HG23 THR 3 HG23 THR 3 -13.346 -10.928 0.464
20 H GLN 4 HN GLN 4 -11.082 -8.333 2.525
21 HA GLN 4 HA GLN 4 -9.201 -6.292 2.235
22 HB2 GLN 4 HB2 GLN 4 -9.010 -8.670 4.095
23 HB3 GLN 4 HB1 GLN 4 -8.128 -7.157 4.246
24 HG2 GLN 4 HG2 GLN 4 -10.218 -5.961 4.594
25 HG3 GLN 4 HG1 GLN 4 -11.116 -7.464 4.410
26 HE21 GLN 4 HE21 GLN 4 -8.053 -7.217 6.121
27 HE22 GLN 4 HE22 GLN 4 -8.683 -7.534 7.673
28 H GLU 5 HN GLU 5 -9.081 -9.586 1.526
29 HA GLU 5 HA GLU 5 -6.314 -10.063 1.219
30 HB2 GLU 5 HB2 GLU 5 -8.537 -11.463 -0.282
31 HB3 GLU 5 HB1 GLU 5 -6.917 -12.063 0.004
32 HG2 GLU 5 HG2 GLU 5 -8.318 -13.258 1.459
33 HG3 GLU 5 HG1 GLU 5 -7.496 -12.074 2.469
34 H GLU 6 HN GLU 6 -8.828 -8.968 -0.983
35 HA GLU 6 HA GLU 6 -7.223 -9.048 -3.324
36 HB2 GLU 6 HB2 GLU 6 -9.715 -9.118 -3.277
37 HB3 GLU 6 HB1 GLU 6 -9.702 -7.446 -2.746
38 HG2 GLU 6 HG2 GLU 6 -10.210 -7.521 -5.089
39 HG3 GLU 6 HG1 GLU 6 -8.600 -6.834 -4.888
40 H ILE 7 HN ILE 7 -7.939 -6.785 -0.823
41 HA ILE 7 HA ILE 7 -6.903 -4.461 -2.039
42 HB ILE 7 HB ILE 7 -7.048 -5.141 0.896
43 HG12 ILE 7 HG12 ILE 7 -9.216 -4.029 -0.925
44 HG13 ILE 7 HG11 ILE 7 -9.200 -5.561 -0.108
45 HG21 ILE 7 HG21 ILE 7 -7.108 -2.506 -0.601
46 HG22 ILE 7 HG22 ILE 7 -5.756 -3.128 0.344
47 HG23 ILE 7 HG23 ILE 7 -7.263 -2.681 1.147
48 HD11 ILE 7 HD11 ILE 7 -9.298 -2.901 1.283
49 HD12 ILE 7 HD12 ILE 7 -9.331 -4.487 2.052
50 HD13 ILE 7 HD13 ILE 7 -10.663 -3.984 1.013
51 H VAL 8 HN VAL 8 -5.594 -6.588 0.503
52 HA VAL 8 HA VAL 8 -3.009 -5.634 0.487
53 HB VAL 8 HB VAL 8 -4.138 -8.336 1.237
54 HG11 VAL 8 HG11 VAL 8 -1.315 -7.339 1.672
55 HG12 VAL 8 HG12 VAL 8 -1.811 -8.646 0.588
56 HG13 VAL 8 HG13 VAL 8 -2.011 -8.830 2.331
57 HG21 VAL 8 HG21 VAL 8 -3.771 -7.477 3.508
58 HG22 VAL 8 HG22 VAL 8 -4.784 -6.372 2.565
59 HG23 VAL 8 HG23 VAL 8 -3.097 -6.000 2.823
60 H ALA 9 HN ALA 9 -4.426 -8.226 -1.497
61 HA ALA 9 HA ALA 9 -2.024 -8.929 -2.830
62 HB1 ALA 9 HB1 ALA 9 -4.861 -9.213 -3.824
63 HB2 ALA 9 HB2 ALA 9 -3.994 -10.398 -2.844
64 HB3 ALA 9 HB3 ALA 9 -3.447 -10.034 -4.483
65 H GLY 10 HN GLY 10 -4.486 -6.505 -3.439
66 HA2 GLY 10 HA2 GLY 10 -3.613 -5.649 -5.978
67 HA3 GLY 10 HA1 GLY 10 -4.557 -4.716 -4.810
68 H LEU 11 HN LEU 11 -2.921 -4.620 -2.705
69 HA LEU 11 HA LEU 11 -1.070 -2.611 -3.295
70 HB2 LEU 11 HB2 LEU 11 -1.156 -4.507 -0.949
71 HB3 LEU 11 HB1 LEU 11 -0.146 -3.082 -1.041
72 HG LEU 11 HG LEU 11 -3.163 -3.074 -1.033
73 HD11 LEU 11 HD11 LEU 11 -2.926 -2.157 1.221
74 HD12 LEU 11 HD12 LEU 11 -1.177 -2.357 1.120
75 HD13 LEU 11 HD13 LEU 11 -2.228 -3.772 1.107
76 HD21 LEU 11 HD21 LEU 11 -2.916 -0.657 -0.735
77 HD22 LEU 11 HD22 LEU 11 -2.208 -1.192 -2.260
78 HD23 LEU 11 HD23 LEU 11 -1.166 -0.813 -0.889
79 H ALA 12 HN ALA 12 -0.633 -6.051 -2.624
80 HA ALA 12 HA ALA 12 2.093 -6.302 -2.813
81 HB1 ALA 12 HB1 ALA 12 0.566 -8.094 -2.068
82 HB2 ALA 12 HB2 ALA 12 1.720 -8.677 -3.253
83 HB3 ALA 12 HB3 ALA 12 0.058 -8.343 -3.734
84 H GLU 13 HN GLU 13 -0.261 -6.556 -5.458
85 HA GLU 13 HA GLU 13 1.694 -7.133 -7.403
86 HB2 GLU 13 HB2 GLU 13 -0.012 -6.649 -9.135
87 HB3 GLU 13 HB1 GLU 13 -0.614 -7.719 -7.887
88 HG2 GLU 13 HG2 GLU 13 -1.820 -5.870 -6.873
89 HG3 GLU 13 HG1 GLU 13 -1.180 -4.773 -8.090
90 H ILE 14 HN ILE 14 0.405 -4.139 -6.345
91 HA ILE 14 HA ILE 14 1.668 -2.427 -8.200
92 HB ILE 14 HB ILE 14 0.778 -2.032 -5.339
93 HG12 ILE 14 HG12 ILE 14 -0.534 -1.134 -7.888
94 HG13 ILE 14 HG11 ILE 14 -0.912 -2.653 -7.079
95 HG21 ILE 14 HG21 ILE 14 2.446 -0.372 -5.919
96 HG22 ILE 14 HG22 ILE 14 0.841 0.361 -5.814
97 HG23 ILE 14 HG23 ILE 14 1.562 0.024 -7.390
98 HD11 ILE 14 HD11 ILE 14 -1.188 0.079 -5.882
99 HD12 ILE 14 HD12 ILE 14 -1.548 -1.483 -5.119
100 HD13 ILE 14 HD13 ILE 14 -2.495 -0.948 -6.511
101 H VAL 15 HN VAL 15 2.536 -3.460 -4.924
102 HA VAL 15 HA VAL 15 4.983 -2.166 -4.678
103 HB VAL 15 HB VAL 15 4.171 -4.850 -3.518
104 HG11 VAL 15 HG11 VAL 15 6.587 -4.570 -3.369
105 HG12 VAL 15 HG12 VAL 15 5.853 -4.447 -1.771
106 HG13 VAL 15 HG13 VAL 15 6.367 -2.988 -2.622
107 HG21 VAL 15 HG21 VAL 15 3.611 -3.592 -1.499
108 HG22 VAL 15 HG22 VAL 15 2.649 -3.086 -2.888
109 HG23 VAL 15 HG23 VAL 15 4.000 -2.091 -2.338
110 H ASN 16 HN ASN 16 4.308 -5.437 -5.846
111 HA ASN 16 HA ASN 16 6.951 -6.182 -6.299
112 HB2 ASN 16 HB2 ASN 16 4.857 -7.634 -6.315
113 HB3 ASN 16 HB1 ASN 16 4.642 -7.121 -7.983
114 HD21 ASN 16 HD21 ASN 16 7.657 -7.916 -6.266
115 HD22 ASN 16 HD22 ASN 16 8.105 -9.224 -7.269
116 H GLU 17 HN GLU 17 4.726 -4.327 -8.201
117 HA GLU 17 HA GLU 17 6.232 -4.405 -10.650
118 HB2 GLU 17 HB2 GLU 17 3.766 -4.388 -10.533
119 HB3 GLU 17 HB1 GLU 17 3.826 -2.781 -9.851
120 HG2 GLU 17 HG2 GLU 17 4.704 -1.898 -11.903
121 HG3 GLU 17 HG1 GLU 17 4.824 -3.526 -12.581
122 H ILE 18 HN ILE 18 5.588 -1.966 -8.125
123 HA ILE 18 HA ILE 18 7.295 0.009 -9.487
124 HB ILE 18 HB ILE 18 5.658 0.240 -6.929
125 HG12 ILE 18 HG12 ILE 18 5.226 1.534 -9.536
126 HG13 ILE 18 HG11 ILE 18 4.429 -0.027 -9.188
127 HG21 ILE 18 HG21 ILE 18 6.047 2.653 -7.150
128 HG22 ILE 18 HG22 ILE 18 7.088 2.357 -8.543
129 HG23 ILE 18 HG23 ILE 18 7.565 1.776 -6.949
130 HD11 ILE 18 HD11 ILE 18 3.346 1.178 -7.284
131 HD12 ILE 18 HD12 ILE 18 2.927 1.821 -8.873
132 HD13 ILE 18 HD13 ILE 18 4.106 2.660 -7.865
133 H ALA 19 HN ALA 19 7.082 -1.517 -6.300
134 HA ALA 19 HA ALA 19 9.551 -0.382 -5.366
135 HB1 ALA 19 HB1 ALA 19 7.690 -0.830 -3.849
136 HB2 ALA 19 HB2 ALA 19 9.132 -1.720 -3.373
137 HB3 ALA 19 HB3 ALA 19 7.812 -2.555 -4.195
138 H GLY 20 HN GLY 20 8.459 -3.410 -6.732
139 HA2 GLY 20 HA2 GLY 20 9.740 -5.023 -7.826
140 HA3 GLY 20 HA1 GLY 20 11.196 -4.190 -7.293
141 H ILE 21 HN ILE 21 9.058 -4.607 -4.831
142 HA ILE 21 HA ILE 21 10.752 -6.596 -3.559
143 HB ILE 21 HB ILE 21 8.345 -5.057 -2.513
144 HG12 ILE 21 HG12 ILE 21 10.221 -3.568 -2.946
145 HG13 ILE 21 HG11 ILE 21 9.984 -3.745 -1.213
146 HG21 ILE 21 HG21 ILE 21 8.965 -5.805 -0.270
147 HG22 ILE 21 HG22 ILE 21 10.275 -6.764 -0.949
148 HG23 ILE 21 HG23 ILE 21 8.604 -7.172 -1.323
149 HD11 ILE 21 HD11 ILE 21 12.342 -3.746 -1.790
150 HD12 ILE 21 HD12 ILE 21 12.097 -5.128 -2.858
151 HD13 ILE 21 HD13 ILE 21 11.863 -5.306 -1.119
152 HA PRO 22 HA PRO 22 8.445 -10.353 -4.500
153 HB2 PRO 22 HB2 PRO 22 8.289 -10.800 -1.638
154 HB3 PRO 22 HB1 PRO 22 9.199 -11.691 -2.860
155 HG2 PRO 22 HG2 PRO 22 10.105 -9.539 -1.070
156 HG3 PRO 22 HG1 PRO 22 11.061 -10.726 -1.975
157 HD2 PRO 22 HD2 PRO 22 11.060 -8.130 -2.676
158 HD3 PRO 22 HD1 PRO 22 11.075 -9.434 -3.898
159 H VAL 23 HN VAL 23 6.506 -10.332 -5.065
160 HA VAL 23 HA VAL 23 4.410 -8.732 -3.986
161 HB VAL 23 HB VAL 23 4.711 -9.488 -6.330
162 HG11 VAL 23 HG11 VAL 23 3.729 -12.148 -5.388
163 HG12 VAL 23 HG12 VAL 23 5.301 -11.757 -6.085
164 HG13 VAL 23 HG13 VAL 23 3.846 -11.651 -7.077
165 HG21 VAL 23 HG21 VAL 23 2.319 -9.841 -6.846
166 HG22 VAL 23 HG22 VAL 23 2.662 -8.503 -5.753
167 HG23 VAL 23 HG23 VAL 23 2.016 -10.019 -5.108
168 H GLU 24 HN GLU 24 5.730 -11.531 -3.202
169 HA GLU 24 HA GLU 24 3.410 -12.757 -2.024
170 HB2 GLU 24 HB2 GLU 24 6.224 -13.772 -2.264
171 HB3 GLU 24 HB1 GLU 24 4.875 -14.693 -1.620
172 HG2 GLU 24 HG2 GLU 24 3.820 -14.804 -3.704
173 HG3 GLU 24 HG1 GLU 24 4.862 -13.551 -4.387
174 H ASP 25 HN ASP 25 6.102 -10.831 -1.145
175 HA ASP 25 HA ASP 25 6.220 -11.854 1.588
176 HB2 ASP 25 HB2 ASP 25 8.319 -11.237 0.250
177 HB3 ASP 25 HB1 ASP 25 7.827 -9.561 0.449
178 H VAL 26 HN VAL 26 4.434 -9.868 -0.130
179 HA VAL 26 HA VAL 26 4.098 -7.669 1.685
180 HB VAL 26 HB VAL 26 2.548 -8.546 -0.786
181 HG11 VAL 26 HG11 VAL 26 2.336 -5.955 0.754
182 HG12 VAL 26 HG12 VAL 26 1.113 -7.245 0.703
183 HG13 VAL 26 HG13 VAL 26 1.535 -6.368 -0.774
184 HG21 VAL 26 HG21 VAL 26 4.826 -7.838 -1.238
185 HG22 VAL 26 HG22 VAL 26 4.547 -6.348 -0.334
186 HG23 VAL 26 HG23 VAL 26 3.675 -6.638 -1.837
187 H LYS 27 HN LYS 27 3.870 -9.158 3.422
188 HA LYS 27 HA LYS 27 1.269 -10.423 3.902
189 HB2 LYS 27 HB2 LYS 27 3.455 -9.973 5.919
190 HB3 LYS 27 HB1 LYS 27 2.211 -11.180 5.919
191 HG2 LYS 27 HG2 LYS 27 3.214 -12.416 4.143
192 HG3 LYS 27 HG1 LYS 27 4.416 -11.144 3.899
193 HD2 LYS 27 HD2 LYS 27 5.346 -11.553 6.101
194 HD3 LYS 27 HD1 LYS 27 4.114 -12.779 6.416
195 HE2 LYS 27 HE2 LYS 27 4.954 -14.149 4.667
196 HE3 LYS 27 HE1 LYS 27 6.099 -12.900 4.171
197 HZ1 LYS 27 HZ1 LYS 27 6.185 -14.412 6.766
198 HZ2 LYS 27 HZ2 LYS 27 7.177 -13.132 6.356
199 HZ3 LYS 27 HZ3 LYS 27 7.270 -14.550 5.481
200 H LEU 28 HN LEU 28 0.727 -9.746 6.419
201 HA LEU 28 HA LEU 28 0.104 -6.894 6.084
202 HB2 LEU 28 HB2 LEU 28 -1.220 -9.012 7.658
203 HB3 LEU 28 HB1 LEU 28 -1.369 -7.363 8.219
204 HG LEU 28 HG LEU 28 -2.229 -6.764 5.942
205 HD11 LEU 28 HD11 LEU 28 -3.145 -8.480 4.557
206 HD12 LEU 28 HD12 LEU 28 -2.444 -9.739 5.586
207 HD13 LEU 28 HD13 LEU 28 -1.396 -8.628 4.683
208 HD21 LEU 28 HD21 LEU 28 -3.792 -8.734 7.573
209 HD22 LEU 28 HD22 LEU 28 -4.472 -7.595 6.397
210 HD23 LEU 28 HD23 LEU 28 -3.648 -6.999 7.847
211 H ASP 29 HN ASP 29 2.543 -8.294 7.561
212 HA ASP 29 HA ASP 29 2.524 -6.386 9.809
213 HB2 ASP 29 HB2 ASP 29 3.001 -8.764 10.348
214 HB3 ASP 29 HB1 ASP 29 4.382 -8.733 9.263
215 H LYS 30 HN LYS 30 3.141 -6.264 6.811
216 HA LYS 30 HA LYS 30 5.886 -5.370 6.761
217 HB2 LYS 30 HB2 LYS 30 3.829 -5.480 4.609
218 HB3 LYS 30 HB1 LYS 30 5.512 -5.091 4.358
219 HG2 LYS 30 HG2 LYS 30 4.462 -7.682 5.484
220 HG3 LYS 30 HG1 LYS 30 5.026 -7.438 3.831
221 HD2 LYS 30 HD2 LYS 30 7.267 -6.928 4.656
222 HD3 LYS 30 HD1 LYS 30 6.677 -7.032 6.304
223 HE2 LYS 30 HE2 LYS 30 6.306 -9.337 6.184
224 HE3 LYS 30 HE1 LYS 30 6.433 -9.348 4.427
225 HZ1 LYS 30 HZ1 LYS 30 8.377 -10.200 5.763
226 HZ2 LYS 30 HZ2 LYS 30 8.747 -8.537 6.061
227 HZ3 LYS 30 HZ3 LYS 30 8.626 -9.152 4.477
228 H SER 31 HN SER 31 6.365 -3.363 7.428
229 HA SER 31 HA SER 31 4.553 -1.184 7.183
230 HB2 SER 31 HB2 SER 31 7.367 -1.390 8.198
231 HB3 SER 31 HB1 SER 31 6.180 -0.105 8.451
232 HG SER 31 HG SER 31 6.522 -2.237 9.952
233 H PHE 32 HN PHE 32 5.779 -2.375 4.685
234 HA PHE 32 HA PHE 32 6.775 -1.833 2.794
235 HB2 PHE 32 HB2 PHE 32 5.718 0.828 3.646
236 HB3 PHE 32 HB1 PHE 32 6.576 0.656 2.119
237 HD1 PHE 32 HD1 PHE 32 5.706 -0.762 0.401
238 HD2 PHE 32 HD2 PHE 32 3.510 -0.044 3.954
239 HE1 PHE 32 HE1 PHE 32 3.660 -1.627 -0.686
240 HE2 PHE 32 HE2 PHE 32 1.449 -0.909 2.858
241 HZ PHE 32 HZ PHE 32 1.543 -1.672 0.545
242 H THR 33 HN THR 33 7.959 1.334 3.440
243 HA THR 33 HA THR 33 10.622 0.457 3.038
244 HB THR 33 HB THR 33 10.884 3.031 3.688
245 HG1 THR 33 HG1 THR 33 8.975 3.819 4.103
246 HG21 THR 33 HG21 THR 33 11.342 2.036 1.471
247 HG22 THR 33 HG22 THR 33 10.440 3.539 1.296
248 HG23 THR 33 HG23 THR 33 9.623 1.994 1.125
249 H ASP 34 HN ASP 34 10.495 -0.969 4.895
250 HA ASP 34 HA ASP 34 12.010 -0.095 7.113
251 HB2 ASP 34 HB2 ASP 34 9.881 0.818 7.897
252 HB3 ASP 34 HB1 ASP 34 9.078 -0.712 7.574
253 H ASP 35 HN ASP 35 9.426 -2.362 6.366
254 HA ASP 35 HA ASP 35 11.102 -4.591 7.260
255 HB2 ASP 35 HB2 ASP 35 8.562 -4.293 7.825
256 HB3 ASP 35 HB1 ASP 35 8.307 -4.913 6.192
257 H LEU 36 HN LEU 36 9.167 -3.656 4.437
258 HA LEU 36 HA LEU 36 10.195 -5.677 2.702
259 HB2 LEU 36 HB2 LEU 36 8.893 -3.029 2.028
260 HB3 LEU 36 HB1 LEU 36 9.127 -4.342 0.906
261 HG LEU 36 HG LEU 36 7.281 -4.342 3.302
262 HD11 LEU 36 HD11 LEU 36 6.703 -4.239 0.354
263 HD12 LEU 36 HD12 LEU 36 6.500 -2.918 1.505
264 HD13 LEU 36 HD13 LEU 36 5.499 -4.366 1.636
265 HD21 LEU 36 HD21 LEU 36 7.613 -6.437 1.154
266 HD22 LEU 36 HD22 LEU 36 6.448 -6.439 2.492
267 HD23 LEU 36 HD23 LEU 36 8.171 -6.582 2.826
268 H ASP 37 HN ASP 37 10.619 -2.172 2.916
269 HA ASP 37 HA ASP 37 12.321 -0.773 2.652
270 HB2 ASP 37 HB2 ASP 37 13.679 -2.142 4.112
271 HB3 ASP 37 HB1 ASP 37 14.078 -3.230 2.784
272 H VAL 38 HN VAL 38 11.826 0.069 0.805
273 HA VAL 38 HA VAL 38 13.197 -1.089 -1.444
274 HB VAL 38 HB VAL 38 10.939 -1.486 -1.817
275 HG11 VAL 38 HG11 VAL 38 9.893 0.026 -0.249
276 HG12 VAL 38 HG12 VAL 38 9.128 0.134 -1.826
277 HG13 VAL 38 HG13 VAL 38 10.211 1.411 -1.300
278 HG21 VAL 38 HG21 VAL 38 12.131 -0.785 -3.787
279 HG22 VAL 38 HG22 VAL 38 11.755 0.905 -3.451
280 HG23 VAL 38 HG23 VAL 38 10.466 -0.217 -3.884
281 H ASP 39 HN ASP 39 11.622 2.119 -1.233
282 HA ASP 39 HA ASP 39 14.049 3.578 -1.381
283 HB2 ASP 39 HB2 ASP 39 13.719 2.415 -3.764
284 HB3 ASP 39 HB1 ASP 39 12.389 3.569 -3.878
285 H SER 40 HN SER 40 13.111 5.760 -2.521
286 HA SER 40 HA SER 40 10.921 6.533 -0.757
287 HB2 SER 40 HB2 SER 40 13.023 7.793 -0.673
288 HB3 SER 40 HB1 SER 40 12.871 8.164 -2.392
289 H LEU 41 HN LEU 41 11.926 6.336 -4.054
290 HA LEU 41 HA LEU 41 9.803 7.975 -5.107
291 HB2 LEU 41 HB2 LEU 41 11.668 6.109 -6.575
292 HB3 LEU 41 HB1 LEU 41 10.619 7.293 -7.322
293 HG LEU 41 HG LEU 41 13.010 7.854 -5.579
294 HD11 LEU 41 HD11 LEU 41 13.574 7.142 -7.824
295 HD12 LEU 41 HD12 LEU 41 13.925 8.858 -7.607
296 HD13 LEU 41 HD13 LEU 41 12.490 8.359 -8.502
297 HD21 LEU 41 HD21 LEU 41 11.266 9.503 -5.151
298 HD22 LEU 41 HD22 LEU 41 11.092 9.794 -6.882
299 HD23 LEU 41 HD23 LEU 41 12.594 10.222 -6.061
300 H SER 42 HN SER 42 10.453 4.595 -4.766
301 HA SER 42 HA SER 42 8.202 3.718 -6.247
302 HB2 SER 42 HB2 SER 42 9.862 2.243 -4.204
303 HB3 SER 42 HB1 SER 42 8.800 1.526 -5.420
304 HG SER 42 HG SER 42 10.243 2.976 -6.860
305 H MET 43 HN MET 43 8.640 5.011 -3.175
306 HA MET 43 HA MET 43 6.438 3.662 -1.922
307 HB2 MET 43 HB2 MET 43 8.372 4.432 -0.632
308 HB3 MET 43 HB1 MET 43 7.994 6.093 -1.065
309 HG2 MET 43 HG2 MET 43 7.297 5.443 1.181
310 HG3 MET 43 HG1 MET 43 5.956 6.018 0.162
311 HE1 MET 43 HE1 MET 43 7.760 2.745 -0.244
312 HE2 MET 43 HE2 MET 43 6.827 1.556 0.679
313 HE3 MET 43 HE3 MET 43 7.782 2.785 1.519
314 H VAL 44 HN VAL 44 7.148 6.826 -3.282
315 HA VAL 44 HA VAL 44 4.652 7.964 -2.741
316 HB VAL 44 HB VAL 44 6.634 8.647 -4.941
317 HG11 VAL 44 HG11 VAL 44 4.413 10.315 -3.746
318 HG12 VAL 44 HG12 VAL 44 4.429 9.624 -5.368
319 HG13 VAL 44 HG13 VAL 44 5.597 10.870 -4.929
320 HG21 VAL 44 HG21 VAL 44 7.453 10.363 -3.372
321 HG22 VAL 44 HG22 VAL 44 7.654 8.736 -2.723
322 HG23 VAL 44 HG23 VAL 44 6.348 9.753 -2.139
323 H GLU 45 HN GLU 45 5.933 6.099 -5.539
324 HA GLU 45 HA GLU 45 3.549 6.453 -6.987
325 HB2 GLU 45 HB2 GLU 45 5.842 4.551 -7.368
326 HB3 GLU 45 HB1 GLU 45 4.497 4.736 -8.490
327 HG2 GLU 45 HG2 GLU 45 5.107 7.109 -8.758
328 HG3 GLU 45 HG1 GLU 45 6.503 6.836 -7.720
329 H VAL 46 HN VAL 46 4.624 4.065 -4.617
330 HA VAL 46 HA VAL 46 2.652 2.152 -5.374
331 HB VAL 46 HB VAL 46 4.738 1.794 -3.920
332 HG11 VAL 46 HG11 VAL 46 4.461 3.338 -2.185
333 HG12 VAL 46 HG12 VAL 46 4.462 1.711 -1.503
334 HG13 VAL 46 HG13 VAL 46 2.945 2.591 -1.687
335 HG21 VAL 46 HG21 VAL 46 3.787 -0.166 -2.755
336 HG22 VAL 46 HG22 VAL 46 3.288 -0.035 -4.441
337 HG23 VAL 46 HG23 VAL 46 2.176 0.430 -3.154
338 H VAL 47 HN VAL 47 2.773 4.735 -3.185
339 HA VAL 47 HA VAL 47 0.180 4.566 -2.030
340 HB VAL 47 HB VAL 47 1.762 7.088 -2.685
341 HG11 VAL 47 HG11 VAL 47 -0.551 6.709 -0.780
342 HG12 VAL 47 HG12 VAL 47 -0.599 7.592 -2.306
343 HG13 VAL 47 HG13 VAL 47 0.391 8.188 -0.975
344 HG21 VAL 47 HG21 VAL 47 2.436 7.026 -0.331
345 HG22 VAL 47 HG22 VAL 47 2.971 5.588 -1.202
346 HG23 VAL 47 HG23 VAL 47 1.574 5.502 -0.127
347 H VAL 48 HN VAL 48 1.219 6.749 -4.637
348 HA VAL 48 HA VAL 48 -1.220 7.506 -5.669
349 HB VAL 48 HB VAL 48 1.347 7.002 -7.213
350 HG11 VAL 48 HG11 VAL 48 -0.554 7.065 -8.752
351 HG12 VAL 48 HG12 VAL 48 0.439 8.513 -8.919
352 HG13 VAL 48 HG13 VAL 48 -1.090 8.587 -8.040
353 HG21 VAL 48 HG21 VAL 48 1.563 8.639 -5.426
354 HG22 VAL 48 HG22 VAL 48 0.164 9.520 -6.040
355 HG23 VAL 48 HG23 VAL 48 1.641 9.430 -7.000
356 H ALA 49 HN ALA 49 0.579 4.580 -6.669
357 HA ALA 49 HA ALA 49 -1.313 3.772 -8.585
358 HB1 ALA 49 HB1 ALA 49 0.974 2.932 -8.542
359 HB2 ALA 49 HB2 ALA 49 -0.214 1.631 -8.568
360 HB3 ALA 49 HB3 ALA 49 0.611 2.046 -7.064
361 H ALA 50 HN ALA 50 -1.108 3.171 -5.115
362 HA ALA 50 HA ALA 50 -3.062 1.136 -5.007
363 HB1 ALA 50 HB1 ALA 50 -2.391 3.204 -2.911
364 HB2 ALA 50 HB2 ALA 50 -1.583 1.650 -3.113
365 HB3 ALA 50 HB3 ALA 50 -3.281 1.705 -2.640
366 H GLU 51 HN GLU 51 -3.236 4.643 -4.973
367 HA GLU 51 HA GLU 51 -5.934 5.036 -4.430
368 HB2 GLU 51 HB2 GLU 51 -4.367 6.566 -6.478
369 HB3 GLU 51 HB1 GLU 51 -5.722 7.107 -5.518
370 HG2 GLU 51 HG2 GLU 51 -4.268 7.049 -3.515
371 HG3 GLU 51 HG1 GLU 51 -2.939 6.547 -4.559
372 H GLU 52 HN GLU 52 -4.200 4.536 -7.406
373 HA GLU 52 HA GLU 52 -6.465 4.786 -9.110
374 HB2 GLU 52 HB2 GLU 52 -4.189 5.480 -9.676
375 HB3 GLU 52 HB1 GLU 52 -3.664 3.815 -9.618
376 HG2 GLU 52 HG2 GLU 52 -4.931 3.278 -11.556
377 HG3 GLU 52 HG1 GLU 52 -5.701 4.870 -11.551
378 H ARG 53 HN ARG 53 -4.854 2.145 -7.542
379 HA ARG 53 HA ARG 53 -5.829 0.002 -9.183
380 HB2 ARG 53 HB2 ARG 53 -3.794 -0.211 -7.844
381 HB3 ARG 53 HB1 ARG 53 -4.705 0.064 -6.376
382 HG2 ARG 53 HG2 ARG 53 -4.323 -2.226 -6.381
383 HG3 ARG 53 HG1 ARG 53 -5.971 -2.082 -6.976
384 HD2 ARG 53 HD2 ARG 53 -3.499 -2.509 -8.667
385 HD3 ARG 53 HD1 ARG 53 -4.662 -3.746 -8.222
386 HE ARG 53 HE ARG 53 -5.110 -1.507 -10.063
387 HH11 ARG 53 HH11 ARG 53 -6.162 -4.669 -8.740
388 HH12 ARG 53 HH12 ARG 53 -7.181 -4.994 -10.051
389 HH21 ARG 53 HH21 ARG 53 -6.557 -2.007 -11.828
390 HH22 ARG 53 HH22 ARG 53 -7.496 -3.417 -11.803
391 H PHE 54 HN PHE 54 -6.722 1.473 -6.119
392 HA PHE 54 HA PHE 54 -9.021 -0.314 -5.964
393 HB2 PHE 54 HB2 PHE 54 -7.838 1.511 -3.887
394 HB3 PHE 54 HB1 PHE 54 -9.170 0.388 -3.645
395 HD1 PHE 54 HD1 PHE 54 -8.494 -2.092 -4.616
396 HD2 PHE 54 HD2 PHE 54 -5.852 0.830 -3.014
397 HE1 PHE 54 HE1 PHE 54 -6.878 -3.857 -4.057
398 HE2 PHE 54 HE2 PHE 54 -4.257 -0.941 -2.429
399 HZ PHE 54 HZ PHE 54 -4.752 -3.269 -3.002
400 H ASP 55 HN ASP 55 -8.296 2.629 -7.110
401 HA ASP 55 HA ASP 55 -9.433 4.334 -7.964
402 HB2 ASP 55 HB2 ASP 55 -11.176 2.499 -8.467
403 HB3 ASP 55 HB1 ASP 55 -12.058 3.119 -7.077
404 H VAL 56 HN VAL 56 -9.175 3.725 -4.873
405 HA VAL 56 HA VAL 56 -10.635 6.061 -3.907
406 HB VAL 56 HB VAL 56 -11.146 4.146 -2.578
407 HG11 VAL 56 HG11 VAL 56 -9.263 2.695 -3.113
408 HG12 VAL 56 HG12 VAL 56 -9.466 2.818 -1.364
409 HG13 VAL 56 HG13 VAL 56 -8.185 3.722 -2.170
410 HG21 VAL 56 HG21 VAL 56 -10.891 6.182 -1.309
411 HG22 VAL 56 HG22 VAL 56 -9.168 5.851 -1.088
412 HG23 VAL 56 HG23 VAL 56 -10.371 4.791 -0.353
413 H LYS 57 HN LYS 57 -9.591 7.799 -3.845
414 HA LYS 57 HA LYS 57 -6.792 8.049 -4.132
415 HB2 LYS 57 HB2 LYS 57 -8.872 10.075 -3.330
416 HB3 LYS 57 HB1 LYS 57 -7.176 10.474 -3.554
417 HG2 LYS 57 HG2 LYS 57 -8.915 9.242 -5.681
418 HG3 LYS 57 HG1 LYS 57 -8.624 10.971 -5.513
419 HD2 LYS 57 HD2 LYS 57 -6.432 8.931 -5.871
420 HD3 LYS 57 HD1 LYS 57 -7.179 9.810 -7.208
421 HE2 LYS 57 HE2 LYS 57 -6.444 11.928 -6.223
422 HE3 LYS 57 HE1 LYS 57 -5.734 11.059 -4.864
423 HZ1 LYS 57 HZ1 LYS 57 -4.108 11.701 -6.597
424 HZ2 LYS 57 HZ2 LYS 57 -4.882 10.662 -7.690
425 HZ3 LYS 57 HZ3 LYS 57 -4.145 10.051 -6.305
426 H ILE 58 HN ILE 58 -5.584 7.183 -2.700
427 HA ILE 58 HA ILE 58 -5.877 7.773 0.143
428 HB ILE 58 HB ILE 58 -3.831 6.023 -1.255
429 HG12 ILE 58 HG12 ILE 58 -6.368 5.109 0.112
430 HG13 ILE 58 HG11 ILE 58 -6.179 5.240 -1.635
431 HG21 ILE 58 HG21 ILE 58 -4.716 6.170 1.633
432 HG22 ILE 58 HG22 ILE 58 -3.188 6.769 0.979
433 HG23 ILE 58 HG23 ILE 58 -3.528 5.039 0.983
434 HD11 ILE 58 HD11 ILE 58 -4.393 3.589 -1.562
435 HD12 ILE 58 HD12 ILE 58 -5.895 2.963 -0.878
436 HD13 ILE 58 HD13 ILE 58 -4.583 3.467 0.187
437 HA PRO 59 HA PRO 59 -3.039 11.021 -1.262
438 HB2 PRO 59 HB2 PRO 59 -3.336 12.045 1.460
439 HB3 PRO 59 HB1 PRO 59 -3.733 12.812 -0.075
440 HG2 PRO 59 HG2 PRO 59 -5.565 11.941 1.687
441 HG3 PRO 59 HG1 PRO 59 -5.874 12.010 -0.067
442 HD2 PRO 59 HD2 PRO 59 -5.246 9.689 1.693
443 HD3 PRO 59 HD1 PRO 59 -6.294 9.772 0.259
444 H ASP 60 HN ASP 60 -0.904 11.292 -0.945
445 HA ASP 60 HA ASP 60 0.664 9.532 0.518
446 HB2 ASP 60 HB2 ASP 60 2.539 11.093 0.067
447 HB3 ASP 60 HB1 ASP 60 1.571 10.787 -1.368
448 H ASP 61 HN ASP 61 -0.970 12.335 1.500
449 HA ASP 61 HA ASP 61 0.627 12.633 3.888
450 HB2 ASP 61 HB2 ASP 61 -0.427 14.627 2.781
451 HB3 ASP 61 HB1 ASP 61 -1.987 14.047 3.369
452 H ASP 62 HN ASP 62 -2.513 11.211 3.067
453 HA ASP 62 HA ASP 62 -3.080 10.559 5.814
454 HB2 ASP 62 HB2 ASP 62 -4.387 9.841 3.220
455 HB3 ASP 62 HB1 ASP 62 -4.755 8.918 4.669
456 H VAL 63 HN VAL 63 -1.557 9.040 3.143
457 HA VAL 63 HA VAL 63 -1.602 6.428 4.086
458 HB VAL 63 HB VAL 63 -0.857 7.390 1.804
459 HG11 VAL 63 HG11 VAL 63 0.974 8.742 2.482
460 HG12 VAL 63 HG12 VAL 63 1.539 7.465 1.404
461 HG13 VAL 63 HG13 VAL 63 1.817 7.340 3.142
462 HG21 VAL 63 HG21 VAL 63 0.521 5.022 2.999
463 HG22 VAL 63 HG22 VAL 63 0.384 5.393 1.270
464 HG23 VAL 63 HG23 VAL 63 -1.069 5.068 2.223
465 H LYS 64 HN LYS 64 0.146 9.108 5.136
466 HA LYS 64 HA LYS 64 2.373 7.999 6.357
467 HB2 LYS 64 HB2 LYS 64 0.828 10.481 7.082
468 HB3 LYS 64 HB1 LYS 64 2.431 10.079 7.681
469 HG2 LYS 64 HG2 LYS 64 3.352 10.244 5.445
470 HG3 LYS 64 HG1 LYS 64 1.746 10.496 4.769
471 HD2 LYS 64 HD2 LYS 64 1.539 12.577 6.064
472 HD3 LYS 64 HD1 LYS 64 3.169 12.335 6.695
473 HE2 LYS 64 HE2 LYS 64 4.114 12.532 4.505
474 HE3 LYS 64 HE1 LYS 64 2.521 12.540 3.757
475 HZ1 LYS 64 HZ1 LYS 64 3.410 14.751 3.857
476 HZ2 LYS 64 HZ2 LYS 64 3.623 14.660 5.538
477 HZ3 LYS 64 HZ3 LYS 64 2.069 14.656 4.880
478 H ASN 65 HN ASN 65 -1.000 8.234 7.511
479 HA ASN 65 HA ASN 65 -0.086 7.416 10.155
480 HB2 ASN 65 HB2 ASN 65 -2.224 7.907 11.056
481 HB3 ASN 65 HB1 ASN 65 -2.012 9.119 9.808
482 HD21 ASN 65 HD21 ASN 65 -4.426 8.052 11.076
483 HD22 ASN 65 HD22 ASN 65 -5.410 7.457 9.783
484 H LEU 66 HN LEU 66 -0.879 6.008 7.337
485 HA LEU 66 HA LEU 66 -2.089 3.602 8.371
486 HB2 LEU 66 HB2 LEU 66 -0.776 3.993 5.666
487 HB3 LEU 66 HB1 LEU 66 -1.906 2.742 6.121
488 HG LEU 66 HG LEU 66 -2.536 5.670 5.751
489 HD11 LEU 66 HD11 LEU 66 -2.140 4.525 3.667
490 HD12 LEU 66 HD12 LEU 66 -3.853 4.901 3.847
491 HD13 LEU 66 HD13 LEU 66 -3.274 3.255 4.124
492 HD21 LEU 66 HD21 LEU 66 -4.349 3.371 6.489
493 HD22 LEU 66 HD22 LEU 66 -4.897 4.930 5.951
494 HD23 LEU 66 HD23 LEU 66 -3.995 4.803 7.475
495 H LYS 67 HN LYS 67 0.916 4.327 6.672
496 HA LYS 67 HA LYS 67 3.006 3.709 6.831
497 HB2 LYS 67 HB2 LYS 67 2.203 3.684 9.535
498 HB3 LYS 67 HB1 LYS 67 3.213 2.277 9.310
499 HG2 LYS 67 HG2 LYS 67 4.028 5.103 8.626
500 HG3 LYS 67 HG1 LYS 67 4.424 4.293 10.134
501 HD2 LYS 67 HD2 LYS 67 6.385 4.042 8.853
502 HD3 LYS 67 HD1 LYS 67 5.561 2.502 8.619
503 HE2 LYS 67 HE2 LYS 67 4.681 3.330 6.476
504 HE3 LYS 67 HE1 LYS 67 5.554 4.846 6.708
505 HZ1 LYS 67 HZ1 LYS 67 7.612 3.481 6.652
506 HZ2 LYS 67 HZ2 LYS 67 6.674 3.459 5.241
507 HZ3 LYS 67 HZ3 LYS 67 6.643 2.128 6.272
508 H THR 68 HN THR 68 0.766 1.150 7.645
509 HA THR 68 HA THR 68 2.690 -0.763 6.533
510 HB THR 68 HB THR 68 1.309 -2.512 7.656
511 HG1 THR 68 HG1 THR 68 0.334 -0.709 9.490
512 HG21 THR 68 HG21 THR 68 2.259 -2.127 9.885
513 HG22 THR 68 HG22 THR 68 2.619 -0.453 9.439
514 HG23 THR 68 HG23 THR 68 3.419 -1.790 8.604
515 H VAL 69 HN VAL 69 1.758 -2.595 5.523
516 HA VAL 69 HA VAL 69 -0.025 -2.180 3.415
517 HB VAL 69 HB VAL 69 -0.155 -4.787 3.529
518 HG11 VAL 69 HG11 VAL 69 2.572 -3.479 3.382
519 HG12 VAL 69 HG12 VAL 69 1.427 -3.586 2.044
520 HG13 VAL 69 HG13 VAL 69 2.140 -5.051 2.715
521 HG21 VAL 69 HG21 VAL 69 1.575 -5.796 4.913
522 HG22 VAL 69 HG22 VAL 69 0.324 -4.998 5.861
523 HG23 VAL 69 HG23 VAL 69 1.893 -4.221 5.634
524 H GLY 70 HN GLY 70 -0.426 -3.644 6.597
525 HA2 GLY 70 HA2 GLY 70 -3.089 -4.425 6.394
526 HA3 GLY 70 HA1 GLY 70 -2.240 -4.134 7.911
527 H ASP 71 HN ASP 71 -1.727 -1.416 7.841
528 HA ASP 71 HA ASP 71 -4.312 -0.395 8.322
529 HB2 ASP 71 HB2 ASP 71 -1.585 0.759 8.459
530 HB3 ASP 71 HB1 ASP 71 -2.945 1.865 8.385
531 H ALA 72 HN ALA 72 -2.188 -0.232 5.559
532 HA ALA 72 HA ALA 72 -3.550 1.773 4.157
533 HB1 ALA 72 HB1 ALA 72 -2.637 0.753 2.112
534 HB2 ALA 72 HB2 ALA 72 -2.201 -0.693 3.026
535 HB3 ALA 72 HB3 ALA 72 -1.406 0.844 3.372
536 H THR 73 HN THR 73 -3.914 -1.785 3.755
537 HA THR 73 HA THR 73 -6.249 -2.000 2.475
538 HB THR 73 HB THR 73 -5.303 -3.570 4.862
539 HG1 THR 73 HG1 THR 73 -3.699 -3.741 3.457
540 HG21 THR 73 HG21 THR 73 -7.609 -4.109 4.242
541 HG22 THR 73 HG22 THR 73 -6.537 -5.444 3.787
542 HG23 THR 73 HG23 THR 73 -7.126 -4.307 2.564
543 H LYS 74 HN LYS 74 -5.927 -1.648 5.987
544 HA LYS 74 HA LYS 74 -8.514 -1.664 6.902
545 HB2 LYS 74 HB2 LYS 74 -6.556 -1.679 8.265
546 HB3 LYS 74 HB1 LYS 74 -6.076 -0.110 7.680
547 HG2 LYS 74 HG2 LYS 74 -7.932 0.896 8.932
548 HG3 LYS 74 HG1 LYS 74 -8.367 -0.720 9.534
549 HD2 LYS 74 HD2 LYS 74 -6.228 -1.017 10.509
550 HD3 LYS 74 HD1 LYS 74 -5.618 0.461 9.788
551 HE2 LYS 74 HE2 LYS 74 -7.214 1.735 11.199
552 HE3 LYS 74 HE1 LYS 74 -7.681 0.213 11.971
553 HZ1 LYS 74 HZ1 LYS 74 -5.438 -0.096 12.737
554 HZ2 LYS 74 HZ2 LYS 74 -5.915 1.467 13.211
555 HZ3 LYS 74 HZ3 LYS 74 -4.904 1.244 11.873
556 H TYR 75 HN TYR 75 -6.684 1.052 5.560
557 HA TYR 75 HA TYR 75 -8.681 3.072 5.947
558 HB2 TYR 75 HB2 TYR 75 -6.305 3.641 5.690
559 HB3 TYR 75 HB1 TYR 75 -6.291 2.942 4.083
560 HD1 TYR 75 HD2 TYR 75 -7.321 4.166 2.196
561 HD2 TYR 75 HD1 TYR 75 -7.217 5.883 6.105
562 HE1 TYR 75 HE2 TYR 75 -7.879 6.376 1.255
563 HE2 TYR 75 HE1 TYR 75 -7.773 8.067 5.161
564 HH TYR 75 HH TYR 75 -8.745 8.510 1.890
565 H ILE 76 HN ILE 76 -7.563 1.134 3.261
566 HA ILE 76 HA ILE 76 -9.250 2.138 1.321
567 HB ILE 76 HB ILE 76 -7.917 -0.581 1.472
568 HG12 ILE 76 HG12 ILE 76 -6.970 1.925 0.093
569 HG13 ILE 76 HG11 ILE 76 -6.466 1.460 1.712
570 HG21 ILE 76 HG21 ILE 76 -8.090 -0.571 -0.979
571 HG22 ILE 76 HG22 ILE 76 -8.944 0.968 -0.915
572 HG23 ILE 76 HG23 ILE 76 -9.690 -0.480 -0.239
573 HD11 ILE 76 HD11 ILE 76 -4.813 0.851 0.058
574 HD12 ILE 76 HD12 ILE 76 -6.015 -0.125 -0.796
575 HD13 ILE 76 HD13 ILE 76 -5.502 -0.577 0.833
576 H LEU 77 HN LEU 77 -9.507 -0.693 3.407
577 HA LEU 77 HA LEU 77 -11.869 -1.814 2.429
578 HB2 LEU 77 HB2 LEU 77 -10.338 -2.879 4.042
579 HB3 LEU 77 HB1 LEU 77 -10.857 -1.746 5.272
580 HG LEU 77 HG LEU 77 -13.158 -2.695 5.069
581 HD11 LEU 77 HD11 LEU 77 -13.010 -3.610 2.851
582 HD12 LEU 77 HD12 LEU 77 -13.431 -4.867 4.016
583 HD13 LEU 77 HD13 LEU 77 -11.787 -4.763 3.386
584 HD21 LEU 77 HD21 LEU 77 -11.658 -3.351 6.863
585 HD22 LEU 77 HD22 LEU 77 -10.960 -4.605 5.837
586 HD23 LEU 77 HD23 LEU 77 -12.644 -4.717 6.342
587 H ASP 78 HN ASP 78 -11.322 0.814 4.553
588 HA ASP 78 HA ASP 78 -14.181 1.125 5.192
589 HB2 ASP 78 HB2 ASP 78 -12.643 1.610 7.002
590 HB3 ASP 78 HB1 ASP 78 -11.789 2.788 6.016
591 H HIS 79 HN HIS 79 -11.788 2.644 3.228
592 HA HIS 79 HA HIS 79 -13.549 4.822 2.445
593 HB2 HIS 79 HB2 HIS 79 -10.656 4.307 2.268
594 HB3 HIS 79 HB1 HIS 79 -11.298 5.441 1.110
595 HD1 HIS 79 HD1 HIS 79 -11.579 7.806 1.978
596 HD2 HIS 79 HD2 HIS 79 -11.118 5.027 5.037
597 HE1 HIS 79 HE1 HIS 79 -11.382 9.144 4.086
598 HE2 HIS 79 HE2 HIS 79 -11.343 7.448 5.929
599 H GLN 80 HN GLN 80 -13.316 1.859 1.445
600 HA GLN 80 HA GLN 80 -12.942 1.348 -1.114
601 HB2 GLN 80 HB2 GLN 80 -15.265 0.736 0.579
602 HB3 GLN 80 HB1 GLN 80 -15.208 0.082 -1.070
603 HG2 GLN 80 HG2 GLN 80 -13.242 -0.331 1.167
604 HG3 GLN 80 HG1 GLN 80 -14.444 -1.495 0.612
605 HE21 GLN 80 HE21 GLN 80 -11.518 -1.531 0.732
606 HE22 GLN 80 HE22 GLN 80 -10.978 -1.947 -0.854
607 H ALA 81 HN ALA 81 -13.498 1.920 -3.052
608 HA ALA 81 HA ALA 81 -15.532 3.968 -3.427
609 HB1 ALA 81 HB1 ALA 81 -14.437 4.326 -5.605
610 HB2 ALA 81 HB2 ALA 81 -13.301 3.025 -5.246
611 HB3 ALA 81 HB3 ALA 81 -13.290 4.498 -4.277
612 H2 SHW 101 H2A SHW 101 2.546 5.589 4.258
613 H2A SHW 101 H2B SHW 101 3.624 5.577 2.856
614 H3 SHW 101 H3A SHW 101 3.785 3.710 5.253
615 HO3 SHW 101 HO3 SHW 101 5.131 3.544 2.738
616 H4 SHW 101 H4A SHW 101 1.769 3.257 4.016
617 H4A SHW 101 H4B SHW 101 2.930 1.970 3.751
618 H5 SHW 101 H5A SHW 101 3.455 2.818 1.561
619 H5A SHW 101 H5B SHW 101 2.385 4.202 1.812
620 H6 SHW 101 H6A SHW 101 0.487 2.649 2.075
621 H6A SHW 101 H6B SHW 101 1.570 1.299 1.737
622 H7 SHW 101 H7A SHW 101 2.026 2.188 -0.484
623 H7A SHW 101 H7B SHW 101 0.977 3.579 -0.145
624 H8 SHW 101 H8C SHW 101 0.145 0.682 -0.182
625 H8A SHW 101 H8A SHW 101 -0.185 1.866 -1.445
626 H8B SHW 101 H8B SHW 101 -0.910 2.053 0.152
627 H28 SHW 101 H28A SHW 101 10.075 12.232 -1.861
628 H28A SHW 101 H28B SHW 101 9.438 10.706 -1.239
629 H30 SHW 101 H30A SHW 101 8.893 14.367 0.825
630 H30A SHW 101 H30B SHW 101 9.613 14.295 -0.784
631 H30B SHW 101 H30C SHW 101 10.515 13.709 0.611
632 H31 SHW 101 H31A SHW 101 7.162 11.556 -0.867
633 H31A SHW 101 H31B SHW 101 7.650 13.074 -1.620
634 H31B SHW 101 H31C SHW 101 6.903 13.083 -0.024
635 H32 SHW 101 H32A SHW 101 9.752 11.675 1.880
636 HO33 SHW 101 H33A SHW 101 7.156 11.633 2.244
637 HN36 SHW 101 H36A SHW 101 10.097 9.704 0.640
638 H37 SHW 101 H37A SHW 101 7.885 7.744 0.922
639 H37A SHW 101 H37B SHW 101 9.067 7.707 -0.374
640 H38 SHW 101 H38A SHW 101 9.638 6.024 1.196
641 H38A SHW 101 H38B SHW 101 10.866 7.297 1.306
642 HN41 SHW 101 H41A SHW 101 7.957 8.233 2.695
643 H42 SHW 101 H42A SHW 101 8.588 7.213 5.346
644 H42A SHW 101 H42B SHW 101 8.373 8.954 5.067
645 H43 SHW 101 H43A SHW 101 6.116 8.582 4.352
646 H43A SHW 101 H43B SHW 101 6.313 7.785 5.935
Start of MODEL 3
1 H1 ALA 1 HT1 ALA 1 -17.715 -2.315 0.170
2 H2 ALA 1 HT2 ALA 1 -16.703 -1.521 -0.884
3 H3 ALA 1 HT3 ALA 1 -17.066 -0.787 0.593
4 HA ALA 1 HA ALA 1 -14.878 -1.695 0.697
5 HB1 ALA 1 HB1 ALA 1 -16.234 -2.040 2.709
6 HB2 ALA 1 HB2 ALA 1 -15.105 -3.373 2.462
7 HB3 ALA 1 HB3 ALA 1 -16.811 -3.573 2.056
8 H ALA 2 HN ALA 2 -13.671 -3.904 0.770
9 HA ALA 2 HA ALA 2 -14.663 -5.717 -1.287
10 HB1 ALA 2 HB1 ALA 2 -11.861 -4.578 -1.157
11 HB2 ALA 2 HB2 ALA 2 -13.070 -4.209 -2.388
12 HB3 ALA 2 HB3 ALA 2 -12.405 -5.839 -2.266
13 H THR 3 HN THR 3 -12.641 -7.544 -1.239
14 HA THR 3 HA THR 3 -12.766 -8.515 1.467
15 HB THR 3 HB THR 3 -11.699 -10.549 0.321
16 HG1 THR 3 HG1 THR 3 -11.239 -10.429 -1.720
17 HG21 THR 3 HG21 THR 3 -14.101 -10.427 0.789
18 HG22 THR 3 HG22 THR 3 -13.800 -11.243 -0.742
19 HG23 THR 3 HG23 THR 3 -14.360 -9.567 -0.730
20 H GLN 4 HN GLN 4 -11.127 -8.197 2.818
21 HA GLN 4 HA GLN 4 -9.019 -6.527 2.495
22 HB2 GLN 4 HB2 GLN 4 -9.083 -8.906 4.337
23 HB3 GLN 4 HB1 GLN 4 -7.904 -7.610 4.429
24 HG2 GLN 4 HG2 GLN 4 -9.742 -6.011 4.806
25 HG3 GLN 4 HG1 GLN 4 -10.870 -7.361 4.793
26 HE21 GLN 4 HE21 GLN 4 -8.321 -5.804 6.525
27 HE22 GLN 4 HE22 GLN 4 -8.524 -6.605 8.024
28 H GLU 5 HN GLU 5 -8.917 -9.946 1.718
29 HA GLU 5 HA GLU 5 -6.078 -10.039 1.397
30 HB2 GLU 5 HB2 GLU 5 -8.185 -11.923 0.358
31 HB3 GLU 5 HB1 GLU 5 -6.466 -12.168 0.121
32 HG2 GLU 5 HG2 GLU 5 -6.240 -12.141 2.624
33 HG3 GLU 5 HG1 GLU 5 -8.004 -12.188 2.693
34 H GLU 6 HN GLU 6 -8.688 -9.196 -0.695
35 HA GLU 6 HA GLU 6 -7.208 -9.385 -3.127
36 HB2 GLU 6 HB2 GLU 6 -9.728 -9.457 -2.893
37 HB3 GLU 6 HB1 GLU 6 -9.672 -7.742 -2.542
38 HG2 GLU 6 HG2 GLU 6 -10.289 -8.119 -4.838
39 HG3 GLU 6 HG1 GLU 6 -8.713 -7.327 -4.748
40 H ILE 7 HN ILE 7 -7.917 -7.019 -0.722
41 HA ILE 7 HA ILE 7 -6.933 -4.718 -2.007
42 HB ILE 7 HB ILE 7 -6.999 -5.331 0.939
43 HG12 ILE 7 HG12 ILE 7 -9.264 -4.455 -0.889
44 HG13 ILE 7 HG11 ILE 7 -9.138 -5.891 0.075
45 HG21 ILE 7 HG21 ILE 7 -7.215 -2.741 -0.617
46 HG22 ILE 7 HG22 ILE 7 -5.813 -3.279 0.308
47 HG23 ILE 7 HG23 ILE 7 -7.317 -2.882 1.138
48 HD11 ILE 7 HD11 ILE 7 -9.359 -3.124 1.212
49 HD12 ILE 7 HD12 ILE 7 -9.294 -4.635 2.121
50 HD13 ILE 7 HD13 ILE 7 -10.670 -4.297 1.071
51 H VAL 8 HN VAL 8 -5.567 -6.752 0.571
52 HA VAL 8 HA VAL 8 -3.000 -5.787 0.582
53 HB VAL 8 HB VAL 8 -4.075 -8.545 1.214
54 HG11 VAL 8 HG11 VAL 8 -1.964 -8.979 2.386
55 HG12 VAL 8 HG12 VAL 8 -1.298 -7.463 1.759
56 HG13 VAL 8 HG13 VAL 8 -1.720 -8.778 0.653
57 HG21 VAL 8 HG21 VAL 8 -3.813 -7.750 3.523
58 HG22 VAL 8 HG22 VAL 8 -4.847 -6.662 2.581
59 HG23 VAL 8 HG23 VAL 8 -3.190 -6.221 2.905
60 H ALA 9 HN ALA 9 -4.380 -8.316 -1.497
61 HA ALA 9 HA ALA 9 -1.970 -8.996 -2.851
62 HB1 ALA 9 HB1 ALA 9 -3.973 -10.432 -2.938
63 HB2 ALA 9 HB2 ALA 9 -3.398 -10.019 -4.554
64 HB3 ALA 9 HB3 ALA 9 -4.805 -9.198 -3.885
65 H GLY 10 HN GLY 10 -4.366 -6.516 -3.340
66 HA2 GLY 10 HA2 GLY 10 -3.477 -5.560 -5.850
67 HA3 GLY 10 HA1 GLY 10 -4.415 -4.664 -4.652
68 H LEU 11 HN LEU 11 -2.799 -4.682 -2.526
69 HA LEU 11 HA LEU 11 -0.951 -2.625 -2.974
70 HB2 LEU 11 HB2 LEU 11 -0.978 -4.679 -0.767
71 HB3 LEU 11 HB1 LEU 11 -0.053 -3.196 -0.760
72 HG LEU 11 HG LEU 11 -3.064 -3.373 -0.741
73 HD11 LEU 11 HD11 LEU 11 -2.852 -2.617 1.568
74 HD12 LEU 11 HD12 LEU 11 -1.094 -2.702 1.436
75 HD13 LEU 11 HD13 LEU 11 -2.061 -4.173 1.327
76 HD21 LEU 11 HD21 LEU 11 -2.218 -1.354 -1.829
77 HD22 LEU 11 HD22 LEU 11 -1.210 -1.020 -0.418
78 HD23 LEU 11 HD23 LEU 11 -2.965 -0.986 -0.275
79 H ALA 12 HN ALA 12 -0.519 -6.068 -2.489
80 HA ALA 12 HA ALA 12 2.203 -6.329 -2.684
81 HB1 ALA 12 HB1 ALA 12 1.777 -8.642 -3.245
82 HB2 ALA 12 HB2 ALA 12 0.106 -8.246 -3.654
83 HB3 ALA 12 HB3 ALA 12 0.670 -8.085 -1.990
84 H GLU 13 HN GLU 13 -0.168 -6.370 -5.319
85 HA GLU 13 HA GLU 13 1.868 -6.816 -7.251
86 HB2 GLU 13 HB2 GLU 13 0.241 -6.312 -9.033
87 HB3 GLU 13 HB1 GLU 13 -0.368 -7.490 -7.888
88 HG2 GLU 13 HG2 GLU 13 -1.803 -5.873 -6.898
89 HG3 GLU 13 HG1 GLU 13 -1.064 -4.572 -7.829
90 H ILE 14 HN ILE 14 0.437 -3.933 -6.062
91 HA ILE 14 HA ILE 14 1.648 -2.105 -7.808
92 HB ILE 14 HB ILE 14 0.816 -1.883 -4.907
93 HG12 ILE 14 HG12 ILE 14 -0.523 -0.823 -7.381
94 HG13 ILE 14 HG11 ILE 14 -0.879 -2.402 -6.681
95 HG21 ILE 14 HG21 ILE 14 2.475 -0.164 -5.393
96 HG22 ILE 14 HG22 ILE 14 0.871 0.541 -5.197
97 HG23 ILE 14 HG23 ILE 14 1.555 0.337 -6.813
98 HD11 ILE 14 HD11 ILE 14 -2.465 -0.736 -6.017
99 HD12 ILE 14 HD12 ILE 14 -1.159 0.232 -5.288
100 HD13 ILE 14 HD13 ILE 14 -1.542 -1.392 -4.659
101 H VAL 15 HN VAL 15 2.629 -3.358 -4.647
102 HA VAL 15 HA VAL 15 5.107 -2.104 -4.427
103 HB VAL 15 HB VAL 15 4.232 -4.795 -3.343
104 HG11 VAL 15 HG11 VAL 15 6.676 -4.643 -3.324
105 HG12 VAL 15 HG12 VAL 15 6.033 -4.554 -1.683
106 HG13 VAL 15 HG13 VAL 15 6.580 -3.086 -2.500
107 HG21 VAL 15 HG21 VAL 15 2.865 -2.963 -2.581
108 HG22 VAL 15 HG22 VAL 15 4.304 -2.076 -2.074
109 HG23 VAL 15 HG23 VAL 15 3.862 -3.579 -1.264
110 H ASN 16 HN ASN 16 4.333 -5.302 -5.767
111 HA ASN 16 HA ASN 16 6.989 -5.942 -6.445
112 HB2 ASN 16 HB2 ASN 16 5.090 -7.553 -6.324
113 HB3 ASN 16 HB1 ASN 16 4.493 -6.895 -7.840
114 HD21 ASN 16 HD21 ASN 16 7.061 -8.633 -6.319
115 HD22 ASN 16 HD22 ASN 16 7.672 -9.420 -7.730
116 H GLU 17 HN GLU 17 4.569 -4.113 -8.108
117 HA GLU 17 HA GLU 17 5.833 -4.018 -10.668
118 HB2 GLU 17 HB2 GLU 17 3.385 -3.679 -10.148
119 HB3 GLU 17 HB1 GLU 17 3.811 -2.120 -9.474
120 HG2 GLU 17 HG2 GLU 17 2.942 -1.821 -11.654
121 HG3 GLU 17 HG1 GLU 17 4.669 -1.456 -11.696
122 H ILE 18 HN ILE 18 5.674 -1.841 -7.881
123 HA ILE 18 HA ILE 18 7.362 0.143 -9.223
124 HB ILE 18 HB ILE 18 5.809 0.321 -6.623
125 HG12 ILE 18 HG12 ILE 18 5.247 1.559 -9.269
126 HG13 ILE 18 HG11 ILE 18 4.516 0.007 -8.812
127 HG21 ILE 18 HG21 ILE 18 7.738 1.835 -6.765
128 HG22 ILE 18 HG22 ILE 18 6.194 2.680 -6.818
129 HG23 ILE 18 HG23 ILE 18 7.123 2.448 -8.304
130 HD11 ILE 18 HD11 ILE 18 2.992 1.843 -8.494
131 HD12 ILE 18 HD12 ILE 18 4.183 2.693 -7.507
132 HD13 ILE 18 HD13 ILE 18 3.462 1.192 -6.926
133 H ALA 19 HN ALA 19 7.262 -1.483 -6.044
134 HA ALA 19 HA ALA 19 9.853 -0.547 -5.218
135 HB1 ALA 19 HB1 ALA 19 8.127 -1.084 -3.597
136 HB2 ALA 19 HB2 ALA 19 9.541 -2.110 -3.357
137 HB3 ALA 19 HB3 ALA 19 8.105 -2.759 -4.148
138 H GLY 20 HN GLY 20 8.424 -3.488 -6.519
139 HA2 GLY 20 HA2 GLY 20 9.490 -5.041 -7.953
140 HA3 GLY 20 HA1 GLY 20 11.053 -4.468 -7.382
141 H ILE 21 HN ILE 21 9.044 -4.789 -4.847
142 HA ILE 21 HA ILE 21 10.499 -7.051 -3.799
143 HB ILE 21 HB ILE 21 8.327 -5.337 -2.549
144 HG12 ILE 21 HG12 ILE 21 10.270 -3.987 -3.081
145 HG13 ILE 21 HG11 ILE 21 10.170 -4.210 -1.342
146 HG21 ILE 21 HG21 ILE 21 8.458 -7.465 -1.395
147 HG22 ILE 21 HG22 ILE 21 9.089 -6.173 -0.374
148 HG23 ILE 21 HG23 ILE 21 10.199 -7.272 -1.193
149 HD11 ILE 21 HD11 ILE 21 11.925 -5.915 -1.471
150 HD12 ILE 21 HD12 ILE 21 12.463 -4.369 -2.126
151 HD13 ILE 21 HD13 ILE 21 12.018 -5.679 -3.218
152 HA PRO 22 HA PRO 22 7.806 -10.563 -4.734
153 HB2 PRO 22 HB2 PRO 22 7.870 -11.149 -1.936
154 HB3 PRO 22 HB1 PRO 22 8.627 -12.025 -3.267
155 HG2 PRO 22 HG2 PRO 22 9.801 -10.038 -1.440
156 HG3 PRO 22 HG1 PRO 22 10.610 -11.232 -2.474
157 HD2 PRO 22 HD2 PRO 22 10.739 -8.617 -3.053
158 HD3 PRO 22 HD1 PRO 22 10.546 -9.854 -4.327
159 H VAL 23 HN VAL 23 5.879 -10.676 -5.032
160 HA VAL 23 HA VAL 23 3.832 -9.037 -4.028
161 HB VAL 23 HB VAL 23 3.621 -11.842 -5.189
162 HG11 VAL 23 HG11 VAL 23 1.551 -9.656 -5.072
163 HG12 VAL 23 HG12 VAL 23 1.544 -11.158 -4.146
164 HG13 VAL 23 HG13 VAL 23 1.371 -11.203 -5.901
165 HG21 VAL 23 HG21 VAL 23 3.255 -10.747 -7.352
166 HG22 VAL 23 HG22 VAL 23 4.851 -10.393 -6.688
167 HG23 VAL 23 HG23 VAL 23 3.573 -9.184 -6.600
168 H GLU 24 HN GLU 24 5.103 -12.120 -3.099
169 HA GLU 24 HA GLU 24 3.114 -12.229 -1.108
170 HB2 GLU 24 HB2 GLU 24 3.726 -14.630 -0.744
171 HB3 GLU 24 HB1 GLU 24 3.015 -14.195 -2.288
172 HG2 GLU 24 HG2 GLU 24 5.135 -14.339 -3.371
173 HG3 GLU 24 HG1 GLU 24 5.953 -14.591 -1.825
174 H ASP 25 HN ASP 25 5.941 -10.828 -0.999
175 HA ASP 25 HA ASP 25 6.546 -11.838 1.697
176 HB2 ASP 25 HB2 ASP 25 8.457 -11.011 0.141
177 HB3 ASP 25 HB1 ASP 25 7.820 -9.392 0.387
178 H VAL 26 HN VAL 26 4.600 -9.857 0.069
179 HA VAL 26 HA VAL 26 4.137 -7.790 2.008
180 HB VAL 26 HB VAL 26 2.889 -8.476 -0.685
181 HG11 VAL 26 HG11 VAL 26 2.111 -6.153 1.095
182 HG12 VAL 26 HG12 VAL 26 1.120 -7.587 0.745
183 HG13 VAL 26 HG13 VAL 26 1.557 -6.489 -0.561
184 HG21 VAL 26 HG21 VAL 26 5.084 -7.425 -0.719
185 HG22 VAL 26 HG22 VAL 26 4.471 -6.113 0.296
186 HG23 VAL 26 HG23 VAL 26 3.846 -6.323 -1.333
187 H LYS 27 HN LYS 27 3.798 -9.242 3.642
188 HA LYS 27 HA LYS 27 1.224 -10.635 3.908
189 HB2 LYS 27 HB2 LYS 27 3.399 -10.163 5.969
190 HB3 LYS 27 HB1 LYS 27 2.110 -11.341 6.037
191 HG2 LYS 27 HG2 LYS 27 4.234 -11.407 3.918
192 HG3 LYS 27 HG1 LYS 27 4.378 -12.287 5.453
193 HD2 LYS 27 HD2 LYS 27 2.292 -13.489 4.877
194 HD3 LYS 27 HD1 LYS 27 2.230 -12.606 3.349
195 HE2 LYS 27 HE2 LYS 27 4.378 -13.560 2.703
196 HE3 LYS 27 HE1 LYS 27 4.458 -14.424 4.236
197 HZ1 LYS 27 HZ1 LYS 27 3.677 -15.747 2.275
198 HZ2 LYS 27 HZ2 LYS 27 2.260 -14.828 2.281
199 HZ3 LYS 27 HZ3 LYS 27 2.656 -15.781 3.614
200 H LEU 28 HN LEU 28 0.766 -9.913 6.676
201 HA LEU 28 HA LEU 28 0.116 -7.044 6.328
202 HB2 LEU 28 HB2 LEU 28 -1.313 -9.229 7.738
203 HB3 LEU 28 HB1 LEU 28 -1.462 -7.596 8.359
204 HG LEU 28 HG LEU 28 -2.319 -6.918 6.102
205 HD11 LEU 28 HD11 LEU 28 -3.146 -8.607 4.609
206 HD12 LEU 28 HD12 LEU 28 -2.423 -9.877 5.606
207 HD13 LEU 28 HD13 LEU 28 -1.395 -8.695 4.774
208 HD21 LEU 28 HD21 LEU 28 -3.859 -9.036 7.568
209 HD22 LEU 28 HD22 LEU 28 -4.542 -7.841 6.454
210 HD23 LEU 28 HD23 LEU 28 -3.785 -7.320 7.965
211 H ASP 29 HN ASP 29 2.464 -8.480 7.475
212 HA ASP 29 HA ASP 29 2.604 -6.996 10.020
213 HB2 ASP 29 HB2 ASP 29 4.297 -9.232 8.945
214 HB3 ASP 29 HB1 ASP 29 4.456 -8.448 10.512
215 H LYS 30 HN LYS 30 2.980 -6.318 7.102
216 HA LYS 30 HA LYS 30 5.844 -5.767 7.026
217 HB2 LYS 30 HB2 LYS 30 3.814 -6.073 4.880
218 HB3 LYS 30 HB1 LYS 30 5.470 -5.566 4.612
219 HG2 LYS 30 HG2 LYS 30 4.690 -8.145 5.960
220 HG3 LYS 30 HG1 LYS 30 5.028 -8.009 4.235
221 HD2 LYS 30 HD2 LYS 30 7.303 -7.256 4.731
222 HD3 LYS 30 HD1 LYS 30 6.944 -7.307 6.451
223 HE2 LYS 30 HE2 LYS 30 6.816 -9.642 6.499
224 HE3 LYS 30 HE1 LYS 30 6.633 -9.757 4.750
225 HZ1 LYS 30 HZ1 LYS 30 8.884 -10.357 5.701
226 HZ2 LYS 30 HZ2 LYS 30 9.099 -8.686 5.971
227 HZ3 LYS 30 HZ3 LYS 30 8.818 -9.276 4.405
228 H SER 31 HN SER 31 6.388 -3.759 7.525
229 HA SER 31 HA SER 31 4.748 -1.559 6.751
230 HB2 SER 31 HB2 SER 31 7.527 -1.718 7.908
231 HB3 SER 31 HB1 SER 31 6.415 -0.346 7.927
232 HG SER 31 HG SER 31 6.263 -2.793 9.316
233 H PHE 32 HN PHE 32 4.858 -1.136 4.601
234 HA PHE 32 HA PHE 32 6.386 -1.835 2.575
235 HB2 PHE 32 HB2 PHE 32 5.360 0.909 3.127
236 HB3 PHE 32 HB1 PHE 32 6.011 0.471 1.565
237 HD1 PHE 32 HD1 PHE 32 4.832 -1.359 0.290
238 HD2 PHE 32 HD2 PHE 32 3.236 0.411 3.778
239 HE1 PHE 32 HE1 PHE 32 2.609 -2.213 -0.321
240 HE2 PHE 32 HE2 PHE 32 0.983 -0.436 3.175
241 HZ PHE 32 HZ PHE 32 0.676 -1.716 1.112
242 H THR 33 HN THR 33 7.257 1.482 3.545
243 HA THR 33 HA THR 33 9.929 0.831 2.871
244 HB THR 33 HB THR 33 10.180 3.349 3.731
245 HG1 THR 33 HG1 THR 33 8.283 4.305 3.901
246 HG21 THR 33 HG21 THR 33 9.759 3.938 1.366
247 HG22 THR 33 HG22 THR 33 8.979 2.369 1.143
248 HG23 THR 33 HG23 THR 33 10.675 2.443 1.528
249 H ASP 34 HN ASP 34 9.693 -0.786 4.684
250 HA ASP 34 HA ASP 34 11.671 0.002 6.620
251 HB2 ASP 34 HB2 ASP 34 9.683 0.656 7.826
252 HB3 ASP 34 HB1 ASP 34 8.953 -0.913 7.512
253 H ASP 35 HN ASP 35 9.249 -2.580 6.236
254 HA ASP 35 HA ASP 35 11.338 -4.545 6.789
255 HB2 ASP 35 HB2 ASP 35 8.872 -4.564 7.750
256 HB3 ASP 35 HB1 ASP 35 8.505 -5.298 6.198
257 H LEU 36 HN LEU 36 8.965 -3.747 4.318
258 HA LEU 36 HA LEU 36 9.770 -5.780 2.484
259 HB2 LEU 36 HB2 LEU 36 8.335 -3.165 1.982
260 HB3 LEU 36 HB1 LEU 36 8.500 -4.457 0.813
261 HG LEU 36 HG LEU 36 6.996 -4.682 3.422
262 HD11 LEU 36 HD11 LEU 36 6.000 -4.358 0.592
263 HD12 LEU 36 HD12 LEU 36 5.898 -3.151 1.874
264 HD13 LEU 36 HD13 LEU 36 5.000 -4.664 2.011
265 HD21 LEU 36 HD21 LEU 36 6.167 -6.766 2.486
266 HD22 LEU 36 HD22 LEU 36 7.925 -6.799 2.632
267 HD23 LEU 36 HD23 LEU 36 7.173 -6.542 1.055
268 H ASP 37 HN ASP 37 10.501 -2.425 2.957
269 HA ASP 37 HA ASP 37 12.159 -1.068 2.416
270 HB2 ASP 37 HB2 ASP 37 13.715 -2.936 3.090
271 HB3 ASP 37 HB1 ASP 37 13.745 -3.455 1.408
272 H VAL 38 HN VAL 38 10.917 -0.095 1.056
273 HA VAL 38 HA VAL 38 10.818 -0.926 -1.716
274 HB VAL 38 HB VAL 38 9.337 1.263 -0.196
275 HG11 VAL 38 HG11 VAL 38 8.848 0.269 -2.999
276 HG12 VAL 38 HG12 VAL 38 9.497 1.849 -2.560
277 HG13 VAL 38 HG13 VAL 38 7.846 1.420 -2.115
278 HG21 VAL 38 HG21 VAL 38 8.720 -0.962 0.527
279 HG22 VAL 38 HG22 VAL 38 8.414 -1.443 -1.143
280 HG23 VAL 38 HG23 VAL 38 7.399 -0.222 -0.380
281 H ASP 39 HN ASP 39 10.758 2.404 -0.640
282 HA ASP 39 HA ASP 39 13.219 3.472 -0.905
283 HB2 ASP 39 HB2 ASP 39 12.984 2.545 -3.451
284 HB3 ASP 39 HB1 ASP 39 11.743 3.815 -3.452
285 H SER 40 HN SER 40 12.666 5.856 -1.836
286 HA SER 40 HA SER 40 10.261 6.501 -0.294
287 HB2 SER 40 HB2 SER 40 12.388 7.602 0.383
288 HB3 SER 40 HB1 SER 40 12.446 8.391 -1.201
289 H LEU 41 HN LEU 41 11.754 6.830 -3.370
290 HA LEU 41 HA LEU 41 9.718 8.603 -4.450
291 HB2 LEU 41 HB2 LEU 41 11.976 7.098 -5.773
292 HB3 LEU 41 HB1 LEU 41 10.893 8.179 -6.621
293 HG LEU 41 HG LEU 41 12.747 9.025 -4.392
294 HD11 LEU 41 HD11 LEU 41 14.073 10.056 -6.169
295 HD12 LEU 41 HD12 LEU 41 12.999 9.359 -7.381
296 HD13 LEU 41 HD13 LEU 41 13.989 8.306 -6.371
297 HD21 LEU 41 HD21 LEU 41 10.746 10.414 -4.613
298 HD22 LEU 41 HD22 LEU 41 11.073 10.616 -6.335
299 HD23 LEU 41 HD23 LEU 41 12.185 11.283 -5.140
300 H SER 42 HN SER 42 10.564 5.316 -4.360
301 HA SER 42 HA SER 42 8.701 4.339 -6.243
302 HB2 SER 42 HB2 SER 42 10.795 3.150 -5.479
303 HB3 SER 42 HB1 SER 42 10.031 2.943 -3.908
304 HG SER 42 HG SER 42 9.808 1.448 -6.097
305 H MET 43 HN MET 43 8.721 5.033 -2.790
306 HA MET 43 HA MET 43 6.320 3.766 -2.075
307 HB2 MET 43 HB2 MET 43 7.976 4.530 -0.469
308 HB3 MET 43 HB1 MET 43 7.590 6.200 -0.866
309 HG2 MET 43 HG2 MET 43 6.541 5.371 1.197
310 HG3 MET 43 HG1 MET 43 5.404 5.987 -0.015
311 HE1 MET 43 HE1 MET 43 6.268 1.497 0.206
312 HE2 MET 43 HE2 MET 43 7.097 2.637 1.278
313 HE3 MET 43 HE3 MET 43 7.291 2.781 -0.461
314 H VAL 44 HN VAL 44 7.061 7.078 -3.132
315 HA VAL 44 HA VAL 44 4.508 8.156 -2.912
316 HB VAL 44 HB VAL 44 6.667 8.870 -4.935
317 HG11 VAL 44 HG11 VAL 44 4.314 10.500 -3.961
318 HG12 VAL 44 HG12 VAL 44 4.500 9.798 -5.568
319 HG13 VAL 44 HG13 VAL 44 5.594 11.071 -5.035
320 HG21 VAL 44 HG21 VAL 44 7.484 9.002 -2.649
321 HG22 VAL 44 HG22 VAL 44 6.105 9.991 -2.190
322 HG23 VAL 44 HG23 VAL 44 7.301 10.620 -3.328
323 H GLU 45 HN GLU 45 6.038 6.238 -5.502
324 HA GLU 45 HA GLU 45 3.908 6.540 -7.324
325 HB2 GLU 45 HB2 GLU 45 5.954 4.352 -7.063
326 HB3 GLU 45 HB1 GLU 45 4.887 4.576 -8.438
327 HG2 GLU 45 HG2 GLU 45 6.001 6.733 -8.876
328 HG3 GLU 45 HG1 GLU 45 7.100 6.396 -7.536
329 H VAL 46 HN VAL 46 4.745 4.126 -4.880
330 HA VAL 46 HA VAL 46 2.644 2.324 -5.287
331 HB VAL 46 HB VAL 46 4.017 3.065 -2.656
332 HG11 VAL 46 HG11 VAL 46 2.360 0.629 -3.317
333 HG12 VAL 46 HG12 VAL 46 1.892 1.933 -2.228
334 HG13 VAL 46 HG13 VAL 46 3.257 0.892 -1.821
335 HG21 VAL 46 HG21 VAL 46 4.541 0.802 -4.582
336 HG22 VAL 46 HG22 VAL 46 5.349 1.046 -3.033
337 HG23 VAL 46 HG23 VAL 46 5.565 2.217 -4.332
338 H VAL 47 HN VAL 47 2.787 5.121 -3.129
339 HA VAL 47 HA VAL 47 0.226 5.129 -2.105
340 HB VAL 47 HB VAL 47 1.959 7.503 -2.901
341 HG11 VAL 47 HG11 VAL 47 -0.445 7.472 -1.078
342 HG12 VAL 47 HG12 VAL 47 -0.388 8.198 -2.676
343 HG13 VAL 47 HG13 VAL 47 0.611 8.853 -1.375
344 HG21 VAL 47 HG21 VAL 47 2.983 6.046 -1.258
345 HG22 VAL 47 HG22 VAL 47 1.541 6.152 -0.245
346 HG23 VAL 47 HG23 VAL 47 2.526 7.585 -0.531
347 H VAL 48 HN VAL 48 1.249 7.097 -4.882
348 HA VAL 48 HA VAL 48 -1.262 7.807 -5.842
349 HB VAL 48 HB VAL 48 1.251 7.329 -7.489
350 HG11 VAL 48 HG11 VAL 48 -0.726 7.395 -8.934
351 HG12 VAL 48 HG12 VAL 48 0.255 8.843 -9.148
352 HG13 VAL 48 HG13 VAL 48 -1.226 8.914 -8.195
353 HG21 VAL 48 HG21 VAL 48 0.129 9.841 -6.246
354 HG22 VAL 48 HG22 VAL 48 1.551 9.758 -7.289
355 HG23 VAL 48 HG23 VAL 48 1.564 8.961 -5.714
356 H ALA 49 HN ALA 49 0.571 4.873 -6.747
357 HA ALA 49 HA ALA 49 -1.269 3.986 -8.696
358 HB1 ALA 49 HB1 ALA 49 1.041 3.170 -8.588
359 HB2 ALA 49 HB2 ALA 49 -0.129 1.847 -8.614
360 HB3 ALA 49 HB3 ALA 49 0.654 2.306 -7.100
361 H ALA 50 HN ALA 50 -1.164 3.511 -5.214
362 HA ALA 50 HA ALA 50 -2.999 1.421 -5.016
363 HB1 ALA 50 HB1 ALA 50 -2.576 3.703 -3.091
364 HB2 ALA 50 HB2 ALA 50 -1.655 2.198 -3.125
365 HB3 ALA 50 HB3 ALA 50 -3.370 2.175 -2.715
366 H GLU 51 HN GLU 51 -3.442 4.899 -5.260
367 HA GLU 51 HA GLU 51 -6.195 5.053 -4.795
368 HB2 GLU 51 HB2 GLU 51 -4.646 6.779 -6.686
369 HB3 GLU 51 HB1 GLU 51 -6.103 7.160 -5.793
370 HG2 GLU 51 HG2 GLU 51 -4.837 7.108 -3.723
371 HG3 GLU 51 HG1 GLU 51 -3.364 6.775 -4.626
372 H GLU 52 HN GLU 52 -4.306 4.270 -7.567
373 HA GLU 52 HA GLU 52 -6.492 4.561 -9.421
374 HB2 GLU 52 HB2 GLU 52 -4.040 4.990 -9.860
375 HB3 GLU 52 HB1 GLU 52 -3.837 3.245 -9.837
376 HG2 GLU 52 HG2 GLU 52 -4.008 3.966 -12.096
377 HG3 GLU 52 HG1 GLU 52 -5.490 3.101 -11.684
378 H ARG 53 HN ARG 53 -4.714 2.030 -7.782
379 HA ARG 53 HA ARG 53 -5.692 -0.213 -9.200
380 HB2 ARG 53 HB2 ARG 53 -3.589 -0.203 -7.976
381 HB3 ARG 53 HB1 ARG 53 -4.434 0.093 -6.476
382 HG2 ARG 53 HG2 ARG 53 -3.730 -2.189 -6.522
383 HG3 ARG 53 HG1 ARG 53 -5.480 -2.160 -6.685
384 HD2 ARG 53 HD2 ARG 53 -3.654 -2.319 -9.056
385 HD3 ARG 53 HD1 ARG 53 -4.135 -3.761 -8.176
386 HE ARG 53 HE ARG 53 -6.403 -2.239 -8.887
387 HH11 ARG 53 HH11 ARG 53 -3.965 -4.428 -10.309
388 HH12 ARG 53 HH12 ARG 53 -4.953 -4.941 -11.569
389 HH21 ARG 53 HH21 ARG 53 -7.780 -2.957 -10.654
390 HH22 ARG 53 HH22 ARG 53 -7.174 -4.081 -11.786
391 H PHE 54 HN PHE 54 -6.599 1.465 -6.267
392 HA PHE 54 HA PHE 54 -8.798 -0.422 -5.889
393 HB2 PHE 54 HB2 PHE 54 -7.515 1.494 -3.970
394 HB3 PHE 54 HB1 PHE 54 -8.846 0.409 -3.603
395 HD1 PHE 54 HD1 PHE 54 -8.252 -2.139 -4.452
396 HD2 PHE 54 HD2 PHE 54 -5.491 0.831 -3.167
397 HE1 PHE 54 HE1 PHE 54 -6.641 -3.885 -3.850
398 HE2 PHE 54 HE2 PHE 54 -3.893 -0.944 -2.534
399 HZ PHE 54 HZ PHE 54 -4.468 -3.277 -2.912
400 H ASP 55 HN ASP 55 -8.251 2.553 -7.213
401 HA ASP 55 HA ASP 55 -9.563 4.172 -8.010
402 HB2 ASP 55 HB2 ASP 55 -11.253 2.562 -8.572
403 HB3 ASP 55 HB1 ASP 55 -11.808 2.472 -6.909
404 H VAL 56 HN VAL 56 -9.313 3.593 -4.765
405 HA VAL 56 HA VAL 56 -10.746 6.003 -3.993
406 HB VAL 56 HB VAL 56 -11.221 4.025 -2.672
407 HG11 VAL 56 HG11 VAL 56 -9.161 2.787 -2.867
408 HG12 VAL 56 HG12 VAL 56 -9.589 2.991 -1.168
409 HG13 VAL 56 HG13 VAL 56 -8.316 3.984 -1.882
410 HG21 VAL 56 HG21 VAL 56 -11.426 6.127 -1.565
411 HG22 VAL 56 HG22 VAL 56 -9.717 6.115 -1.112
412 HG23 VAL 56 HG23 VAL 56 -10.832 4.933 -0.414
413 H LYS 57 HN LYS 57 -9.793 7.790 -3.614
414 HA LYS 57 HA LYS 57 -6.990 8.116 -4.106
415 HB2 LYS 57 HB2 LYS 57 -9.044 10.121 -3.137
416 HB3 LYS 57 HB1 LYS 57 -7.429 10.506 -3.714
417 HG2 LYS 57 HG2 LYS 57 -9.566 9.189 -5.383
418 HG3 LYS 57 HG1 LYS 57 -9.221 10.917 -5.376
419 HD2 LYS 57 HD2 LYS 57 -7.152 8.831 -6.023
420 HD3 LYS 57 HD1 LYS 57 -8.177 9.569 -7.253
421 HE2 LYS 57 HE2 LYS 57 -7.303 11.765 -6.705
422 HE3 LYS 57 HE1 LYS 57 -6.354 11.086 -5.385
423 HZ1 LYS 57 HZ1 LYS 57 -5.970 10.221 -8.205
424 HZ2 LYS 57 HZ2 LYS 57 -4.930 10.011 -6.878
425 HZ3 LYS 57 HZ3 LYS 57 -5.157 11.543 -7.534
426 H ILE 58 HN ILE 58 -5.408 8.160 -2.730
427 HA ILE 58 HA ILE 58 -5.888 8.546 0.108
428 HB ILE 58 HB ILE 58 -4.060 6.353 -0.934
429 HG12 ILE 58 HG12 ILE 58 -6.834 5.980 0.235
430 HG13 ILE 58 HG11 ILE 58 -6.429 5.777 -1.462
431 HG21 ILE 58 HG21 ILE 58 -5.142 6.983 1.817
432 HG22 ILE 58 HG22 ILE 58 -3.491 7.256 1.260
433 HG23 ILE 58 HG23 ILE 58 -4.105 5.612 1.427
434 HD11 ILE 58 HD11 ILE 58 -6.591 3.637 -0.343
435 HD12 ILE 58 HD12 ILE 58 -5.362 4.129 0.819
436 HD13 ILE 58 HD13 ILE 58 -4.937 3.928 -0.883
437 HA PRO 59 HA PRO 59 -2.422 10.968 -1.565
438 HB2 PRO 59 HB2 PRO 59 -2.683 13.048 0.148
439 HB3 PRO 59 HB1 PRO 59 -3.667 12.890 -1.311
440 HG2 PRO 59 HG2 PRO 59 -4.371 12.254 1.524
441 HG3 PRO 59 HG1 PRO 59 -5.359 13.021 0.268
442 HD2 PRO 59 HD2 PRO 59 -5.574 10.398 0.975
443 HD3 PRO 59 HD1 PRO 59 -5.969 11.011 -0.642
444 H ASP 60 HN ASP 60 -0.351 11.388 -0.718
445 HA ASP 60 HA ASP 60 0.932 9.881 1.098
446 HB2 ASP 60 HB2 ASP 60 2.266 11.282 -0.212
447 HB3 ASP 60 HB1 ASP 60 1.384 12.728 0.262
448 H ASP 61 HN ASP 61 -0.825 12.774 1.778
449 HA ASP 61 HA ASP 61 -0.046 13.269 4.425
450 HB2 ASP 61 HB2 ASP 61 -2.697 13.985 3.177
451 HB3 ASP 61 HB1 ASP 61 -1.864 14.825 4.484
452 H ASP 62 HN ASP 62 -2.704 11.335 3.133
453 HA ASP 62 HA ASP 62 -3.610 10.542 5.812
454 HB2 ASP 62 HB2 ASP 62 -4.577 9.891 3.024
455 HB3 ASP 62 HB1 ASP 62 -5.094 8.927 4.393
456 H VAL 63 HN VAL 63 -1.857 9.349 3.155
457 HA VAL 63 HA VAL 63 -1.507 6.703 3.858
458 HB VAL 63 HB VAL 63 -0.210 8.683 2.139
459 HG11 VAL 63 HG11 VAL 63 1.300 6.188 2.915
460 HG12 VAL 63 HG12 VAL 63 1.813 7.848 3.242
461 HG13 VAL 63 HG13 VAL 63 1.728 7.257 1.580
462 HG21 VAL 63 HG21 VAL 63 -0.368 6.869 0.507
463 HG22 VAL 63 HG22 VAL 63 -1.896 7.217 1.318
464 HG23 VAL 63 HG23 VAL 63 -0.948 5.803 1.786
465 H LYS 64 HN LYS 64 -0.070 9.557 5.194
466 HA LYS 64 HA LYS 64 2.119 8.543 6.516
467 HB2 LYS 64 HB2 LYS 64 0.265 10.696 7.520
468 HB3 LYS 64 HB1 LYS 64 1.870 10.374 8.135
469 HG2 LYS 64 HG2 LYS 64 1.157 11.396 5.397
470 HG3 LYS 64 HG1 LYS 64 1.869 12.321 6.714
471 HD2 LYS 64 HD2 LYS 64 3.817 10.657 6.565
472 HD3 LYS 64 HD1 LYS 64 3.108 10.171 5.018
473 HE2 LYS 64 HE2 LYS 64 3.074 12.675 4.481
474 HE3 LYS 64 HE1 LYS 64 4.185 12.845 5.833
475 HZ1 LYS 64 HZ1 LYS 64 4.550 11.353 3.327
476 HZ2 LYS 64 HZ2 LYS 64 5.694 11.229 4.585
477 HZ3 LYS 64 HZ3 LYS 64 5.379 12.709 3.816
478 H ASN 65 HN ASN 65 -1.250 8.211 7.254
479 HA ASN 65 HA ASN 65 -0.852 7.477 10.034
480 HB2 ASN 65 HB2 ASN 65 -2.844 8.777 8.997
481 HB3 ASN 65 HB1 ASN 65 -3.399 7.210 8.442
482 HD21 ASN 65 HD21 ASN 65 -4.703 9.014 10.194
483 HD22 ASN 65 HD22 ASN 65 -4.930 8.226 11.716
484 H LEU 66 HN LEU 66 -0.650 5.943 7.042
485 HA LEU 66 HA LEU 66 -1.921 3.488 7.785
486 HB2 LEU 66 HB2 LEU 66 -0.067 3.939 5.475
487 HB3 LEU 66 HB1 LEU 66 -1.137 2.576 5.808
488 HG LEU 66 HG LEU 66 -2.003 5.407 5.168
489 HD11 LEU 66 HD11 LEU 66 -2.144 2.922 3.491
490 HD12 LEU 66 HD12 LEU 66 -1.097 4.318 3.223
491 HD13 LEU 66 HD13 LEU 66 -2.845 4.487 3.075
492 HD21 LEU 66 HD21 LEU 66 -3.662 2.924 5.586
493 HD22 LEU 66 HD22 LEU 66 -4.275 4.486 5.054
494 HD23 LEU 66 HD23 LEU 66 -3.582 4.315 6.666
495 H LYS 67 HN LYS 67 1.429 4.272 6.971
496 HA LYS 67 HA LYS 67 3.337 3.351 7.360
497 HB2 LYS 67 HB2 LYS 67 4.020 2.850 9.765
498 HB3 LYS 67 HB1 LYS 67 3.396 4.449 9.432
499 HG2 LYS 67 HG2 LYS 67 2.582 3.679 11.559
500 HG3 LYS 67 HG1 LYS 67 1.234 3.760 10.427
501 HD2 LYS 67 HD2 LYS 67 1.586 1.294 10.030
502 HD3 LYS 67 HD1 LYS 67 2.706 1.317 11.393
503 HE2 LYS 67 HE2 LYS 67 0.372 0.605 11.871
504 HE3 LYS 67 HE1 LYS 67 0.958 1.936 12.911
505 HZ1 LYS 67 HZ1 LYS 67 -0.392 3.439 11.548
506 HZ2 LYS 67 HZ2 LYS 67 -1.344 2.161 12.077
507 HZ3 LYS 67 HZ3 LYS 67 -0.741 2.161 10.498
508 H THR 68 HN THR 68 0.898 1.068 7.573
509 HA THR 68 HA THR 68 2.886 -0.923 6.834
510 HB THR 68 HB THR 68 1.435 -2.677 7.945
511 HG1 THR 68 HG1 THR 68 0.090 -2.122 9.521
512 HG21 THR 68 HG21 THR 68 2.490 -2.459 10.148
513 HG22 THR 68 HG22 THR 68 2.969 -0.801 9.745
514 HG23 THR 68 HG23 THR 68 3.616 -2.170 8.828
515 H VAL 69 HN VAL 69 1.874 -2.810 5.859
516 HA VAL 69 HA VAL 69 0.157 -2.312 3.698
517 HB VAL 69 HB VAL 69 -0.059 -4.896 3.739
518 HG11 VAL 69 HG11 VAL 69 2.714 -3.666 3.732
519 HG12 VAL 69 HG12 VAL 69 1.614 -3.711 2.350
520 HG13 VAL 69 HG13 VAL 69 2.268 -5.210 3.006
521 HG21 VAL 69 HG21 VAL 69 1.555 -6.021 5.175
522 HG22 VAL 69 HG22 VAL 69 0.313 -5.173 6.096
523 HG23 VAL 69 HG23 VAL 69 1.929 -4.479 5.944
524 H GLY 70 HN GLY 70 -0.420 -3.797 6.831
525 HA2 GLY 70 HA2 GLY 70 -3.073 -4.522 6.491
526 HA3 GLY 70 HA1 GLY 70 -2.333 -4.204 8.060
527 H ASP 71 HN ASP 71 -1.783 -1.483 7.849
528 HA ASP 71 HA ASP 71 -4.383 -0.397 8.200
529 HB2 ASP 71 HB2 ASP 71 -1.664 0.813 8.302
530 HB3 ASP 71 HB1 ASP 71 -3.074 1.857 8.215
531 H ALA 72 HN ALA 72 -2.053 -0.250 5.581
532 HA ALA 72 HA ALA 72 -3.305 1.653 3.981
533 HB1 ALA 72 HB1 ALA 72 -2.317 0.463 2.055
534 HB2 ALA 72 HB2 ALA 72 -1.979 -0.922 3.088
535 HB3 ALA 72 HB3 ALA 72 -1.157 0.614 3.375
536 H THR 73 HN THR 73 -3.735 -1.907 3.722
537 HA THR 73 HA THR 73 -6.026 -2.167 2.410
538 HB THR 73 HB THR 73 -5.235 -3.604 4.934
539 HG1 THR 73 HG1 THR 73 -3.531 -3.850 3.626
540 HG21 THR 73 HG21 THR 73 -7.506 -4.117 4.189
541 HG22 THR 73 HG22 THR 73 -6.449 -5.508 3.879
542 HG23 THR 73 HG23 THR 73 -6.916 -4.412 2.564
543 H LYS 74 HN LYS 74 -5.841 -1.653 5.982
544 HA LYS 74 HA LYS 74 -8.527 -1.647 6.608
545 HB2 LYS 74 HB2 LYS 74 -6.919 -1.613 8.373
546 HB3 LYS 74 HB1 LYS 74 -6.213 -0.117 7.793
547 HG2 LYS 74 HG2 LYS 74 -7.476 0.265 9.822
548 HG3 LYS 74 HG1 LYS 74 -8.227 1.097 8.467
549 HD2 LYS 74 HD2 LYS 74 -9.842 -0.779 8.282
550 HD3 LYS 74 HD1 LYS 74 -9.129 -1.484 9.740
551 HE2 LYS 74 HE2 LYS 74 -9.675 0.545 10.984
552 HE3 LYS 74 HE1 LYS 74 -10.383 1.251 9.537
553 HZ1 LYS 74 HZ1 LYS 74 -11.345 -1.161 10.973
554 HZ2 LYS 74 HZ2 LYS 74 -12.045 -0.547 9.552
555 HZ3 LYS 74 HZ3 LYS 74 -12.054 0.371 10.974
556 H TYR 75 HN TYR 75 -6.612 1.010 5.345
557 HA TYR 75 HA TYR 75 -8.615 3.013 5.651
558 HB2 TYR 75 HB2 TYR 75 -6.130 3.447 5.384
559 HB3 TYR 75 HB1 TYR 75 -6.302 2.991 3.694
560 HD1 TYR 75 HD2 TYR 75 -7.518 4.425 2.148
561 HD2 TYR 75 HD1 TYR 75 -6.917 5.619 6.185
562 HE1 TYR 75 HE2 TYR 75 -8.103 6.728 1.553
563 HE2 TYR 75 HE1 TYR 75 -7.505 7.933 5.586
564 HH TYR 75 HH TYR 75 -8.815 8.741 2.475
565 H ILE 76 HN ILE 76 -7.325 1.244 2.938
566 HA ILE 76 HA ILE 76 -9.029 2.006 0.927
567 HB ILE 76 HB ILE 76 -7.714 -0.677 1.369
568 HG12 ILE 76 HG12 ILE 76 -6.765 1.666 -0.272
569 HG13 ILE 76 HG11 ILE 76 -6.307 1.429 1.410
570 HG21 ILE 76 HG21 ILE 76 -8.761 0.630 -1.163
571 HG22 ILE 76 HG22 ILE 76 -9.480 -0.765 -0.359
572 HG23 ILE 76 HG23 ILE 76 -7.879 -0.898 -1.088
573 HD11 ILE 76 HD11 ILE 76 -4.594 0.641 -0.101
574 HD12 ILE 76 HD12 ILE 76 -5.758 -0.461 -0.850
575 HD13 ILE 76 HD13 ILE 76 -5.288 -0.685 0.837
576 H LEU 77 HN LEU 77 -9.274 -0.842 3.011
577 HA LEU 77 HA LEU 77 -11.603 -2.038 2.125
578 HB2 LEU 77 HB2 LEU 77 -10.147 -3.001 3.810
579 HB3 LEU 77 HB1 LEU 77 -10.573 -1.740 4.944
580 HG LEU 77 HG LEU 77 -12.908 -2.625 4.943
581 HD11 LEU 77 HD11 LEU 77 -11.683 -4.893 3.405
582 HD12 LEU 77 HD12 LEU 77 -12.895 -3.755 2.816
583 HD13 LEU 77 HD13 LEU 77 -13.298 -4.876 4.117
584 HD21 LEU 77 HD21 LEU 77 -12.389 -4.539 6.375
585 HD22 LEU 77 HD22 LEU 77 -11.338 -3.165 6.717
586 HD23 LEU 77 HD23 LEU 77 -10.730 -4.529 5.780
587 H ASP 78 HN ASP 78 -11.267 0.494 4.490
588 HA ASP 78 HA ASP 78 -14.135 0.608 4.980
589 HB2 ASP 78 HB2 ASP 78 -12.615 0.828 6.863
590 HB3 ASP 78 HB1 ASP 78 -11.875 2.245 6.133
591 H HIS 79 HN HIS 79 -11.763 2.486 3.284
592 HA HIS 79 HA HIS 79 -13.567 4.773 3.004
593 HB2 HIS 79 HB2 HIS 79 -10.683 4.323 2.631
594 HB3 HIS 79 HB1 HIS 79 -11.348 5.725 1.870
595 HD1 HIS 79 HD1 HIS 79 -11.834 7.693 3.431
596 HD2 HIS 79 HD2 HIS 79 -10.700 4.264 5.464
597 HE1 HIS 79 HE1 HIS 79 -11.233 8.448 5.747
598 HE2 HIS 79 HE2 HIS 79 -10.295 6.417 6.845
599 H GLN 80 HN GLN 80 -12.915 2.054 1.131
600 HA GLN 80 HA GLN 80 -12.568 3.348 -1.374
601 HB2 GLN 80 HB2 GLN 80 -12.906 1.149 -2.397
602 HB3 GLN 80 HB1 GLN 80 -11.681 1.174 -1.138
603 HG2 GLN 80 HG2 GLN 80 -13.295 0.209 0.422
604 HG3 GLN 80 HG1 GLN 80 -14.492 0.147 -0.878
605 HE21 GLN 80 HE21 GLN 80 -11.493 -1.056 0.272
606 HE22 GLN 80 HE22 GLN 80 -11.385 -2.398 -0.822
607 H ALA 81 HN ALA 81 -13.945 2.542 -3.253
608 HA ALA 81 HA ALA 81 -16.623 3.488 -2.645
609 HB1 ALA 81 HB1 ALA 81 -15.340 5.139 -3.876
610 HB2 ALA 81 HB2 ALA 81 -16.662 4.520 -4.861
611 HB3 ALA 81 HB3 ALA 81 -15.012 3.959 -5.146
612 H2 SHW 101 H2A SHW 101 3.179 5.518 3.107
613 H2A SHW 101 H2B SHW 101 4.412 4.300 3.362
614 H3 SHW 101 H3A SHW 101 1.538 4.108 4.324
615 HO3 SHW 101 HO3 SHW 101 3.327 3.072 5.551
616 H4 SHW 101 H4A SHW 101 1.370 2.247 2.726
617 H4A SHW 101 H4B SHW 101 3.001 2.575 2.171
618 H5 SHW 101 H5A SHW 101 2.326 4.706 1.293
619 H5A SHW 101 H5B SHW 101 0.698 4.486 1.933
620 H6 SHW 101 H6A SHW 101 2.003 2.719 -0.130
621 H6A SHW 101 H6B SHW 101 0.830 3.993 -0.468
622 H7 SHW 101 H7A SHW 101 -0.840 2.825 0.897
623 H7A SHW 101 H7B SHW 101 0.342 1.542 1.230
624 H8 SHW 101 H8C SHW 101 -1.176 0.922 -0.580
625 H8A SHW 101 H8A SHW 101 0.482 1.077 -1.163
626 H8B SHW 101 H8B SHW 101 -0.689 2.359 -1.477
627 H28 SHW 101 H28A SHW 101 10.343 12.334 -0.557
628 H28A SHW 101 H28B SHW 101 9.356 10.883 -0.699
629 H30 SHW 101 H30A SHW 101 9.456 13.550 1.858
630 H30A SHW 101 H30B SHW 101 8.015 14.382 1.269
631 H30B SHW 101 H30C SHW 101 9.475 14.337 0.280
632 H31 SHW 101 H31A SHW 101 7.290 11.919 -1.404
633 H31A SHW 101 H31B SHW 101 8.210 13.410 -1.601
634 H31B SHW 101 H31C SHW 101 6.720 13.412 -0.657
635 H32 SHW 101 H32A SHW 101 7.904 11.731 2.345
636 HO33 SHW 101 H33A SHW 101 5.534 11.716 1.153
637 HN36 SHW 101 H36A SHW 101 8.932 9.784 1.612
638 H37 SHW 101 H37A SHW 101 7.025 7.683 0.800
639 H37A SHW 101 H37B SHW 101 8.520 7.864 -0.085
640 H38 SHW 101 H38A SHW 101 8.837 6.112 1.438
641 H38A SHW 101 H38B SHW 101 9.792 7.477 2.076
642 HN41 SHW 101 H41A SHW 101 6.536 7.951 2.508
643 H42 SHW 101 H42A SHW 101 6.042 6.315 4.742
644 H42A SHW 101 H42B SHW 101 6.366 8.006 5.180
645 H43 SHW 101 H43A SHW 101 4.320 7.098 3.155
646 H43A SHW 101 H43B SHW 101 4.432 8.719 3.898
Start of MODEL 4
1 H1 ALA 1 HT1 ALA 1 -14.562 -1.061 -3.313
2 H2 ALA 1 HT2 ALA 1 -16.201 -0.872 -2.916
3 H3 ALA 1 HT3 ALA 1 -15.701 -2.066 -3.967
4 HA ALA 1 HA ALA 1 -14.867 -2.049 -1.133
5 HB1 ALA 1 HB1 ALA 1 -17.273 -2.518 -1.338
6 HB2 ALA 1 HB2 ALA 1 -16.379 -3.973 -0.892
7 HB3 ALA 1 HB3 ALA 1 -16.931 -3.751 -2.552
8 H ALA 2 HN ALA 2 -13.481 -3.956 -0.599
9 HA ALA 2 HA ALA 2 -12.837 -5.611 -2.850
10 HB1 ALA 2 HB1 ALA 2 -10.444 -5.146 -2.753
11 HB2 ALA 2 HB2 ALA 2 -10.720 -3.905 -1.534
12 HB3 ALA 2 HB3 ALA 2 -11.338 -3.682 -3.171
13 H THR 3 HN THR 3 -11.918 -7.492 -2.220
14 HA THR 3 HA THR 3 -12.441 -8.297 0.445
15 HB THR 3 HB THR 3 -10.758 -9.787 -1.587
16 HG1 THR 3 HG1 THR 3 -12.553 -9.169 -2.785
17 HG21 THR 3 HG21 THR 3 -11.909 -11.720 -0.593
18 HG22 THR 3 HG22 THR 3 -12.841 -10.624 0.435
19 HG23 THR 3 HG23 THR 3 -11.096 -10.763 0.651
20 H GLN 4 HN GLN 4 -11.042 -8.174 2.086
21 HA GLN 4 HA GLN 4 -9.006 -6.399 2.213
22 HB2 GLN 4 HB2 GLN 4 -9.203 -8.838 3.928
23 HB3 GLN 4 HB1 GLN 4 -8.383 -7.333 4.321
24 HG2 GLN 4 HG2 GLN 4 -10.478 -6.148 4.211
25 HG3 GLN 4 HG1 GLN 4 -11.337 -7.599 3.811
26 HE21 GLN 4 HE21 GLN 4 -9.420 -9.149 5.691
27 HE22 GLN 4 HE22 GLN 4 -10.057 -8.808 7.245
28 H GLU 5 HN GLU 5 -8.600 -9.860 1.672
29 HA GLU 5 HA GLU 5 -5.731 -9.824 1.710
30 HB2 GLU 5 HB2 GLU 5 -7.539 -11.773 0.294
31 HB3 GLU 5 HB1 GLU 5 -5.810 -11.961 0.502
32 HG2 GLU 5 HG2 GLU 5 -6.179 -12.020 2.949
33 HG3 GLU 5 HG1 GLU 5 -7.920 -11.994 2.634
34 H GLU 6 HN GLU 6 -8.076 -9.527 -0.849
35 HA GLU 6 HA GLU 6 -6.203 -9.341 -2.944
36 HB2 GLU 6 HB2 GLU 6 -8.595 -9.941 -3.205
37 HB3 GLU 6 HB1 GLU 6 -9.027 -8.286 -2.811
38 HG2 GLU 6 HG2 GLU 6 -7.865 -7.514 -4.797
39 HG3 GLU 6 HG1 GLU 6 -7.421 -9.177 -5.191
40 H ILE 7 HN ILE 7 -7.361 -7.104 -0.609
41 HA ILE 7 HA ILE 7 -6.566 -4.696 -1.910
42 HB ILE 7 HB ILE 7 -6.664 -5.324 1.047
43 HG12 ILE 7 HG12 ILE 7 -8.855 -4.309 -0.792
44 HG13 ILE 7 HG11 ILE 7 -8.797 -5.792 0.108
45 HG21 ILE 7 HG21 ILE 7 -6.756 -2.666 -0.410
46 HG22 ILE 7 HG22 ILE 7 -5.414 -3.281 0.557
47 HG23 ILE 7 HG23 ILE 7 -6.945 -2.871 1.331
48 HD11 ILE 7 HD11 ILE 7 -8.947 -3.074 1.377
49 HD12 ILE 7 HD12 ILE 7 -8.961 -4.628 2.210
50 HD13 ILE 7 HD13 ILE 7 -10.300 -4.187 1.150
51 H VAL 8 HN VAL 8 -5.127 -6.579 0.708
52 HA VAL 8 HA VAL 8 -2.571 -5.467 0.691
53 HB VAL 8 HB VAL 8 -3.394 -8.304 1.405
54 HG11 VAL 8 HG11 VAL 8 -0.956 -6.731 2.223
55 HG12 VAL 8 HG12 VAL 8 -0.994 -8.111 1.123
56 HG13 VAL 8 HG13 VAL 8 -1.412 -8.331 2.824
57 HG21 VAL 8 HG21 VAL 8 -4.676 -6.631 2.624
58 HG22 VAL 8 HG22 VAL 8 -3.209 -5.810 3.093
59 HG23 VAL 8 HG23 VAL 8 -3.540 -7.432 3.709
60 H ALA 9 HN ALA 9 -3.843 -8.232 -1.150
61 HA ALA 9 HA ALA 9 -1.477 -8.919 -2.487
62 HB1 ALA 9 HB1 ALA 9 -2.913 -10.093 -4.078
63 HB2 ALA 9 HB2 ALA 9 -4.321 -9.239 -3.448
64 HB3 ALA 9 HB3 ALA 9 -3.447 -10.374 -2.421
65 H GLY 10 HN GLY 10 -4.045 -6.631 -3.295
66 HA2 GLY 10 HA2 GLY 10 -3.144 -5.784 -5.805
67 HA3 GLY 10 HA1 GLY 10 -4.087 -4.828 -4.670
68 H LEU 11 HN LEU 11 -2.536 -4.538 -2.551
69 HA LEU 11 HA LEU 11 -0.723 -2.536 -3.112
70 HB2 LEU 11 HB2 LEU 11 -0.974 -4.448 -0.810
71 HB3 LEU 11 HB1 LEU 11 0.060 -3.056 -0.759
72 HG LEU 11 HG LEU 11 -2.938 -2.986 -1.067
73 HD11 LEU 11 HD11 LEU 11 -1.189 -2.414 1.322
74 HD12 LEU 11 HD12 LEU 11 -2.258 -3.799 1.121
75 HD13 LEU 11 HD13 LEU 11 -2.934 -2.174 1.238
76 HD21 LEU 11 HD21 LEU 11 -2.693 -0.591 -0.635
77 HD22 LEU 11 HD22 LEU 11 -1.833 -1.070 -2.099
78 HD23 LEU 11 HD23 LEU 11 -0.939 -0.770 -0.608
79 H ALA 12 HN ALA 12 -0.238 -5.953 -2.454
80 HA ALA 12 HA ALA 12 2.517 -6.088 -2.534
81 HB1 ALA 12 HB1 ALA 12 1.047 -7.853 -1.690
82 HB2 ALA 12 HB2 ALA 12 2.216 -8.471 -2.847
83 HB3 ALA 12 HB3 ALA 12 0.543 -8.213 -3.337
84 H GLU 13 HN GLU 13 0.198 -6.450 -5.184
85 HA GLU 13 HA GLU 13 2.319 -6.949 -6.998
86 HB2 GLU 13 HB2 GLU 13 0.602 -6.825 -8.817
87 HB3 GLU 13 HB1 GLU 13 0.299 -8.030 -7.582
88 HG2 GLU 13 HG2 GLU 13 -1.318 -6.439 -6.554
89 HG3 GLU 13 HG1 GLU 13 -1.066 -5.377 -7.941
90 H ILE 14 HN ILE 14 0.728 -4.117 -6.046
91 HA ILE 14 HA ILE 14 1.810 -2.350 -7.977
92 HB ILE 14 HB ILE 14 0.991 -1.974 -5.087
93 HG12 ILE 14 HG12 ILE 14 -0.421 -1.094 -7.593
94 HG13 ILE 14 HG11 ILE 14 -0.702 -2.655 -6.830
95 HG21 ILE 14 HG21 ILE 14 1.643 0.154 -7.129
96 HG22 ILE 14 HG22 ILE 14 2.579 -0.220 -5.681
97 HG23 ILE 14 HG23 ILE 14 0.950 0.438 -5.531
98 HD11 ILE 14 HD11 ILE 14 -2.372 -1.028 -6.211
99 HD12 ILE 14 HD12 ILE 14 -1.104 0.016 -5.524
100 HD13 ILE 14 HD13 ILE 14 -1.416 -1.594 -4.842
101 H VAL 15 HN VAL 15 2.826 -3.288 -4.712
102 HA VAL 15 HA VAL 15 5.294 -1.982 -4.645
103 HB VAL 15 HB VAL 15 4.346 -4.446 -3.159
104 HG11 VAL 15 HG11 VAL 15 6.758 -2.717 -2.574
105 HG12 VAL 15 HG12 VAL 15 6.802 -4.384 -3.148
106 HG13 VAL 15 HG13 VAL 15 6.148 -4.018 -1.551
107 HG21 VAL 15 HG21 VAL 15 3.063 -2.455 -2.725
108 HG22 VAL 15 HG22 VAL 15 4.539 -1.557 -2.367
109 HG23 VAL 15 HG23 VAL 15 4.032 -2.881 -1.315
110 H ASN 16 HN ASN 16 4.399 -5.149 -5.848
111 HA ASN 16 HA ASN 16 6.921 -6.219 -6.335
112 HB2 ASN 16 HB2 ASN 16 4.654 -7.351 -6.600
113 HB3 ASN 16 HB1 ASN 16 4.558 -6.579 -8.176
114 HD21 ASN 16 HD21 ASN 16 7.320 -8.052 -6.527
115 HD22 ASN 16 HD22 ASN 16 7.642 -9.235 -7.737
116 H GLU 17 HN GLU 17 4.976 -4.020 -8.198
117 HA GLU 17 HA GLU 17 6.680 -4.059 -10.494
118 HB2 GLU 17 HB2 GLU 17 4.259 -3.773 -10.648
119 HB3 GLU 17 HB1 GLU 17 4.370 -2.273 -9.746
120 HG2 GLU 17 HG2 GLU 17 5.587 -1.241 -11.544
121 HG3 GLU 17 HG1 GLU 17 5.627 -2.773 -12.428
122 H ILE 18 HN ILE 18 5.896 -1.643 -8.001
123 HA ILE 18 HA ILE 18 7.797 0.235 -9.107
124 HB ILE 18 HB ILE 18 6.144 0.409 -6.562
125 HG12 ILE 18 HG12 ILE 18 5.666 1.769 -9.185
126 HG13 ILE 18 HG11 ILE 18 4.943 0.186 -8.838
127 HG21 ILE 18 HG21 ILE 18 8.093 1.899 -6.560
128 HG22 ILE 18 HG22 ILE 18 6.594 2.810 -6.737
129 HG23 ILE 18 HG23 ILE 18 7.622 2.520 -8.141
130 HD11 ILE 18 HD11 ILE 18 4.542 2.776 -7.362
131 HD12 ILE 18 HD12 ILE 18 3.813 1.230 -6.925
132 HD13 ILE 18 HD13 ILE 18 3.399 1.999 -8.458
133 H ALA 19 HN ALA 19 7.538 -1.475 -5.977
134 HA ALA 19 HA ALA 19 10.109 -0.542 -5.058
135 HB1 ALA 19 HB1 ALA 19 8.309 -0.986 -3.494
136 HB2 ALA 19 HB2 ALA 19 9.702 -2.018 -3.161
137 HB3 ALA 19 HB3 ALA 19 8.288 -2.682 -3.980
138 H GLY 20 HN GLY 20 8.705 -3.460 -6.396
139 HA2 GLY 20 HA2 GLY 20 9.812 -5.079 -7.691
140 HA3 GLY 20 HA1 GLY 20 11.356 -4.541 -7.048
141 H ILE 21 HN ILE 21 8.565 -5.147 -5.070
142 HA ILE 21 HA ILE 21 10.030 -7.353 -3.772
143 HB ILE 21 HB ILE 21 7.883 -5.547 -2.649
144 HG12 ILE 21 HG12 ILE 21 9.955 -4.300 -2.921
145 HG13 ILE 21 HG11 ILE 21 9.660 -4.595 -1.212
146 HG21 ILE 21 HG21 ILE 21 9.505 -7.667 -1.255
147 HG22 ILE 21 HG22 ILE 21 7.781 -7.729 -1.621
148 HG23 ILE 21 HG23 ILE 21 8.393 -6.547 -0.465
149 HD11 ILE 21 HD11 ILE 21 12.011 -4.874 -1.774
150 HD12 ILE 21 HD12 ILE 21 11.592 -6.110 -2.961
151 HD13 ILE 21 HD13 ILE 21 11.307 -6.403 -1.248
152 HA PRO 22 HA PRO 22 7.191 -10.456 -5.359
153 HB2 PRO 22 HB2 PRO 22 7.312 -11.550 -2.707
154 HB3 PRO 22 HB1 PRO 22 8.027 -12.167 -4.199
155 HG2 PRO 22 HG2 PRO 22 9.258 -10.540 -2.067
156 HG3 PRO 22 HG1 PRO 22 10.026 -11.588 -3.270
157 HD2 PRO 22 HD2 PRO 22 10.252 -8.936 -3.448
158 HD3 PRO 22 HD1 PRO 22 9.980 -9.953 -4.897
159 H VAL 23 HN VAL 23 5.218 -10.560 -5.508
160 HA VAL 23 HA VAL 23 3.292 -9.073 -4.024
161 HB VAL 23 HB VAL 23 2.729 -11.499 -5.782
162 HG11 VAL 23 HG11 VAL 23 0.776 -10.797 -4.551
163 HG12 VAL 23 HG12 VAL 23 0.576 -10.449 -6.267
164 HG13 VAL 23 HG13 VAL 23 0.967 -9.147 -5.143
165 HG21 VAL 23 HG21 VAL 23 2.461 -9.965 -7.666
166 HG22 VAL 23 HG22 VAL 23 4.108 -9.963 -7.031
167 HG23 VAL 23 HG23 VAL 23 3.014 -8.634 -6.649
168 H GLU 24 HN GLU 24 4.953 -11.691 -3.247
169 HA GLU 24 HA GLU 24 2.859 -12.867 -1.684
170 HB2 GLU 24 HB2 GLU 24 4.383 -14.846 -1.374
171 HB3 GLU 24 HB1 GLU 24 3.885 -14.518 -3.027
172 HG2 GLU 24 HG2 GLU 24 6.001 -13.559 -3.550
173 HG3 GLU 24 HG1 GLU 24 6.494 -13.610 -1.861
174 H ASP 25 HN ASP 25 5.663 -11.006 -1.448
175 HA ASP 25 HA ASP 25 6.442 -11.830 1.226
176 HB2 ASP 25 HB2 ASP 25 8.071 -11.130 -0.580
177 HB3 ASP 25 HB1 ASP 25 7.451 -9.493 -0.401
178 H VAL 26 HN VAL 26 4.638 -9.532 -0.403
179 HA VAL 26 HA VAL 26 4.340 -7.627 1.747
180 HB VAL 26 HB VAL 26 3.117 -7.749 -1.034
181 HG11 VAL 26 HG11 VAL 26 2.462 -5.455 -0.687
182 HG12 VAL 26 HG12 VAL 26 3.045 -5.514 0.989
183 HG13 VAL 26 HG13 VAL 26 1.684 -6.531 0.470
184 HG21 VAL 26 HG21 VAL 26 5.308 -6.021 0.072
185 HG22 VAL 26 HG22 VAL 26 4.656 -5.932 -1.559
186 HG23 VAL 26 HG23 VAL 26 5.541 -7.376 -1.035
187 H LYS 27 HN LYS 27 3.455 -9.124 3.198
188 HA LYS 27 HA LYS 27 0.614 -9.691 2.846
189 HB2 LYS 27 HB2 LYS 27 1.272 -11.178 4.878
190 HB3 LYS 27 HB1 LYS 27 1.538 -11.794 3.234
191 HG2 LYS 27 HG2 LYS 27 3.858 -11.044 3.416
192 HG3 LYS 27 HG1 LYS 27 3.550 -10.500 5.065
193 HD2 LYS 27 HD2 LYS 27 3.045 -12.764 5.749
194 HD3 LYS 27 HD1 LYS 27 3.240 -13.332 4.086
195 HE2 LYS 27 HE2 LYS 27 5.347 -11.960 5.686
196 HE3 LYS 27 HE1 LYS 27 5.225 -13.725 5.531
197 HZ1 LYS 27 HZ1 LYS 27 6.838 -12.743 3.956
198 HZ2 LYS 27 HZ2 LYS 27 5.625 -11.809 3.276
199 HZ3 LYS 27 HZ3 LYS 27 5.557 -13.496 3.163
200 H LEU 28 HN LEU 28 -0.396 -9.726 5.107
201 HA LEU 28 HA LEU 28 -0.431 -6.916 5.730
202 HB2 LEU 28 HB2 LEU 28 -2.400 -8.536 5.454
203 HB3 LEU 28 HB1 LEU 28 -2.051 -9.050 7.080
204 HG LEU 28 HG LEU 28 -2.549 -6.157 6.613
205 HD11 LEU 28 HD11 LEU 28 -4.677 -8.298 6.685
206 HD12 LEU 28 HD12 LEU 28 -4.255 -7.282 5.302
207 HD13 LEU 28 HD13 LEU 28 -4.977 -6.554 6.747
208 HD21 LEU 28 HD21 LEU 28 -3.687 -6.326 8.767
209 HD22 LEU 28 HD22 LEU 28 -2.053 -6.985 8.883
210 HD23 LEU 28 HD23 LEU 28 -3.445 -8.072 8.776
211 H ASP 29 HN ASP 29 1.777 -8.768 6.844
212 HA ASP 29 HA ASP 29 1.700 -7.562 9.513
213 HB2 ASP 29 HB2 ASP 29 3.325 -9.899 8.521
214 HB3 ASP 29 HB1 ASP 29 3.310 -9.187 10.130
215 H LYS 30 HN LYS 30 2.571 -6.651 6.709
216 HA LYS 30 HA LYS 30 5.424 -6.183 7.234
217 HB2 LYS 30 HB2 LYS 30 3.863 -6.500 4.735
218 HB3 LYS 30 HB1 LYS 30 5.461 -5.799 4.744
219 HG2 LYS 30 HG2 LYS 30 4.832 -8.523 5.862
220 HG3 LYS 30 HG1 LYS 30 5.351 -8.245 4.196
221 HD2 LYS 30 HD2 LYS 30 7.406 -7.215 5.001
222 HD3 LYS 30 HD1 LYS 30 6.883 -7.475 6.668
223 HE2 LYS 30 HE2 LYS 30 6.947 -9.846 6.371
224 HE3 LYS 30 HE1 LYS 30 7.282 -9.666 4.650
225 HZ1 LYS 30 HZ1 LYS 30 9.085 -8.610 6.743
226 HZ2 LYS 30 HZ2 LYS 30 9.428 -8.852 5.103
227 HZ3 LYS 30 HZ3 LYS 30 9.237 -10.174 6.126
228 H SER 31 HN SER 31 6.154 -4.167 7.422
229 HA SER 31 HA SER 31 4.518 -1.919 6.753
230 HB2 SER 31 HB2 SER 31 7.313 -2.158 7.877
231 HB3 SER 31 HB1 SER 31 6.251 -0.757 7.915
232 HG SER 31 HG SER 31 5.778 -3.247 9.214
233 H PHE 32 HN PHE 32 4.664 -1.301 4.653
234 HA PHE 32 HA PHE 32 6.216 -2.009 2.582
235 HB2 PHE 32 HB2 PHE 32 5.275 0.795 3.126
236 HB3 PHE 32 HB1 PHE 32 5.904 0.262 1.581
237 HD1 PHE 32 HD1 PHE 32 4.645 -1.486 0.326
238 HD2 PHE 32 HD2 PHE 32 3.067 0.444 3.753
239 HE1 PHE 32 HE1 PHE 32 2.378 -2.142 -0.356
240 HE2 PHE 32 HE2 PHE 32 0.796 -0.200 3.081
241 HZ PHE 32 HZ PHE 32 0.450 -1.490 1.014
242 H THR 33 HN THR 33 7.110 1.299 3.530
243 HA THR 33 HA THR 33 9.841 0.760 2.895
244 HB THR 33 HB THR 33 9.814 3.282 3.896
245 HG1 THR 33 HG1 THR 33 7.487 3.015 4.287
246 HG21 THR 33 HG21 THR 33 9.009 2.377 1.111
247 HG22 THR 33 HG22 THR 33 10.644 2.681 1.690
248 HG23 THR 33 HG23 THR 33 9.491 4.015 1.550
249 H ASP 34 HN ASP 34 9.632 -0.870 4.779
250 HA ASP 34 HA ASP 34 11.386 0.054 6.826
251 HB2 ASP 34 HB2 ASP 34 9.415 0.869 7.911
252 HB3 ASP 34 HB1 ASP 34 8.540 -0.618 7.575
253 H ASP 35 HN ASP 35 8.930 -2.474 6.484
254 HA ASP 35 HA ASP 35 10.931 -4.416 7.353
255 HB2 ASP 35 HB2 ASP 35 8.352 -4.261 8.102
256 HB3 ASP 35 HB1 ASP 35 8.162 -5.234 6.661
257 H LEU 36 HN LEU 36 8.613 -3.958 4.728
258 HA LEU 36 HA LEU 36 9.481 -6.094 3.065
259 HB2 LEU 36 HB2 LEU 36 8.122 -3.485 2.411
260 HB3 LEU 36 HB1 LEU 36 8.390 -4.763 1.247
261 HG LEU 36 HG LEU 36 6.773 -5.122 3.748
262 HD11 LEU 36 HD11 LEU 36 4.819 -4.902 2.285
263 HD12 LEU 36 HD12 LEU 36 5.872 -4.519 0.927
264 HD13 LEU 36 HD13 LEU 36 5.756 -3.411 2.296
265 HD21 LEU 36 HD21 LEU 36 7.036 -6.709 1.206
266 HD22 LEU 36 HD22 LEU 36 5.951 -7.075 2.548
267 HD23 LEU 36 HD23 LEU 36 7.697 -7.148 2.780
268 H ASP 37 HN ASP 37 10.174 -2.739 3.271
269 HA ASP 37 HA ASP 37 11.732 -1.370 2.601
270 HB2 ASP 37 HB2 ASP 37 13.523 -2.868 3.287
271 HB3 ASP 37 HB1 ASP 37 13.367 -3.794 1.795
272 H VAL 38 HN VAL 38 10.676 -0.348 1.272
273 HA VAL 38 HA VAL 38 10.339 -1.229 -1.484
274 HB VAL 38 HB VAL 38 9.310 1.227 0.015
275 HG11 VAL 38 HG11 VAL 38 9.657 1.792 -2.353
276 HG12 VAL 38 HG12 VAL 38 7.940 1.717 -1.960
277 HG13 VAL 38 HG13 VAL 38 8.704 0.387 -2.829
278 HG21 VAL 38 HG21 VAL 38 7.891 -1.218 -1.029
279 HG22 VAL 38 HG22 VAL 38 7.121 0.165 -0.250
280 HG23 VAL 38 HG23 VAL 38 8.236 -0.853 0.660
281 H ASP 39 HN ASP 39 11.082 1.837 -0.160
282 HA ASP 39 HA ASP 39 13.708 2.137 -0.846
283 HB2 ASP 39 HB2 ASP 39 13.196 1.977 -3.206
284 HB3 ASP 39 HB1 ASP 39 11.841 3.087 -3.048
285 H SER 40 HN SER 40 11.450 4.550 -1.865
286 HA SER 40 HA SER 40 10.967 5.959 0.487
287 HB2 SER 40 HB2 SER 40 13.500 6.120 0.431
288 HB3 SER 40 HB1 SER 40 13.348 6.984 -1.101
289 H LEU 41 HN LEU 41 12.193 6.478 -2.773
290 HA LEU 41 HA LEU 41 10.271 8.612 -3.268
291 HB2 LEU 41 HB2 LEU 41 12.263 7.336 -5.155
292 HB3 LEU 41 HB1 LEU 41 11.295 8.746 -5.515
293 HG LEU 41 HG LEU 41 13.487 8.563 -3.451
294 HD11 LEU 41 HD11 LEU 41 14.305 8.628 -5.736
295 HD12 LEU 41 HD12 LEU 41 14.647 10.145 -4.906
296 HD13 LEU 41 HD13 LEU 41 13.315 10.051 -6.063
297 HD21 LEU 41 HD21 LEU 41 11.702 10.053 -2.687
298 HD22 LEU 41 HD22 LEU 41 11.752 10.912 -4.225
299 HD23 LEU 41 HD23 LEU 41 13.140 10.972 -3.136
300 H SER 42 HN SER 42 10.810 5.334 -4.048
301 HA SER 42 HA SER 42 8.820 4.965 -6.004
302 HB2 SER 42 HB2 SER 42 10.085 3.036 -4.075
303 HB3 SER 42 HB1 SER 42 9.200 2.603 -5.537
304 HG SER 42 HG SER 42 10.772 3.577 -6.764
305 H MET 43 HN MET 43 8.662 5.509 -2.672
306 HA MET 43 HA MET 43 6.499 3.845 -1.970
307 HB2 MET 43 HB2 MET 43 7.944 4.675 -0.299
308 HB3 MET 43 HB1 MET 43 7.595 6.344 -0.744
309 HG2 MET 43 HG2 MET 43 6.468 5.539 1.265
310 HG3 MET 43 HG1 MET 43 5.408 6.180 -0.018
311 HE1 MET 43 HE1 MET 43 6.102 1.696 0.630
312 HE2 MET 43 HE2 MET 43 6.830 3.000 1.601
313 HE3 MET 43 HE3 MET 43 7.227 2.870 -0.100
314 H VAL 44 HN VAL 44 6.727 7.246 -2.934
315 HA VAL 44 HA VAL 44 4.008 7.800 -2.570
316 HB VAL 44 HB VAL 44 6.087 9.255 -4.242
317 HG11 VAL 44 HG11 VAL 44 4.652 11.225 -4.030
318 HG12 VAL 44 HG12 VAL 44 3.435 10.249 -3.204
319 HG13 VAL 44 HG13 VAL 44 3.835 9.922 -4.891
320 HG21 VAL 44 HG21 VAL 44 6.312 10.727 -2.272
321 HG22 VAL 44 HG22 VAL 44 6.750 9.061 -1.901
322 HG23 VAL 44 HG23 VAL 44 5.199 9.691 -1.383
323 H GLU 45 HN GLU 45 5.776 6.252 -5.116
324 HA GLU 45 HA GLU 45 3.885 6.665 -7.190
325 HB2 GLU 45 HB2 GLU 45 5.853 4.391 -6.877
326 HB3 GLU 45 HB1 GLU 45 5.150 4.990 -8.369
327 HG2 GLU 45 HG2 GLU 45 7.109 6.467 -6.624
328 HG3 GLU 45 HG1 GLU 45 7.491 5.629 -8.123
329 H VAL 46 HN VAL 46 4.508 4.287 -4.691
330 HA VAL 46 HA VAL 46 2.585 2.340 -5.404
331 HB VAL 46 HB VAL 46 3.733 3.000 -2.655
332 HG11 VAL 46 HG11 VAL 46 1.678 1.699 -2.449
333 HG12 VAL 46 HG12 VAL 46 3.080 0.722 -2.011
334 HG13 VAL 46 HG13 VAL 46 2.308 0.504 -3.582
335 HG21 VAL 46 HG21 VAL 46 5.244 1.108 -3.055
336 HG22 VAL 46 HG22 VAL 46 5.466 2.384 -4.252
337 HG23 VAL 46 HG23 VAL 46 4.572 0.923 -4.676
338 H VAL 47 HN VAL 47 2.537 5.065 -3.167
339 HA VAL 47 HA VAL 47 -0.045 4.926 -2.171
340 HB VAL 47 HB VAL 47 1.453 7.454 -2.963
341 HG11 VAL 47 HG11 VAL 47 0.145 8.542 -1.204
342 HG12 VAL 47 HG12 VAL 47 -0.722 7.033 -0.918
343 HG13 VAL 47 HG13 VAL 47 -0.894 7.871 -2.461
344 HG21 VAL 47 HG21 VAL 47 1.497 5.919 -0.366
345 HG22 VAL 47 HG22 VAL 47 2.277 7.477 -0.652
346 HG23 VAL 47 HG23 VAL 47 2.821 6.045 -1.525
347 H VAL 48 HN VAL 48 0.945 7.063 -4.831
348 HA VAL 48 HA VAL 48 -1.467 7.641 -6.005
349 HB VAL 48 HB VAL 48 1.148 7.096 -7.456
350 HG11 VAL 48 HG11 VAL 48 -0.715 7.079 -9.036
351 HG12 VAL 48 HG12 VAL 48 0.275 8.523 -9.248
352 HG13 VAL 48 HG13 VAL 48 -1.272 8.627 -8.404
353 HG21 VAL 48 HG21 VAL 48 -0.059 9.658 -6.427
354 HG22 VAL 48 HG22 VAL 48 1.431 9.529 -7.360
355 HG23 VAL 48 HG23 VAL 48 1.334 8.814 -5.748
356 H ALA 49 HN ALA 49 0.448 4.701 -6.707
357 HA ALA 49 HA ALA 49 -1.278 3.706 -8.720
358 HB1 ALA 49 HB1 ALA 49 1.053 2.990 -8.486
359 HB2 ALA 49 HB2 ALA 49 -0.062 1.623 -8.537
360 HB3 ALA 49 HB3 ALA 49 0.630 2.140 -7.000
361 H ALA 50 HN ALA 50 -1.294 3.291 -5.242
362 HA ALA 50 HA ALA 50 -3.142 1.148 -5.102
363 HB1 ALA 50 HB1 ALA 50 -1.738 1.845 -3.204
364 HB2 ALA 50 HB2 ALA 50 -3.451 1.812 -2.779
365 HB3 ALA 50 HB3 ALA 50 -2.650 3.351 -3.096
366 H GLU 51 HN GLU 51 -3.527 4.621 -5.375
367 HA GLU 51 HA GLU 51 -6.246 4.851 -4.838
368 HB2 GLU 51 HB2 GLU 51 -4.695 6.403 -6.898
369 HB3 GLU 51 HB1 GLU 51 -6.151 6.902 -6.051
370 HG2 GLU 51 HG2 GLU 51 -4.883 6.881 -3.945
371 HG3 GLU 51 HG1 GLU 51 -3.427 6.500 -4.864
372 H GLU 52 HN GLU 52 -4.511 4.168 -7.781
373 HA GLU 52 HA GLU 52 -6.779 4.097 -9.496
374 HB2 GLU 52 HB2 GLU 52 -4.542 4.632 -10.296
375 HB3 GLU 52 HB1 GLU 52 -3.982 3.030 -9.843
376 HG2 GLU 52 HG2 GLU 52 -5.541 2.061 -11.454
377 HG3 GLU 52 HG1 GLU 52 -6.008 3.685 -11.964
378 H ARG 53 HN ARG 53 -5.051 1.730 -7.590
379 HA ARG 53 HA ARG 53 -6.081 -0.537 -9.013
380 HB2 ARG 53 HB2 ARG 53 -3.897 -0.657 -7.931
381 HB3 ARG 53 HB1 ARG 53 -4.628 -0.340 -6.368
382 HG2 ARG 53 HG2 ARG 53 -4.092 -2.679 -6.559
383 HG3 ARG 53 HG1 ARG 53 -5.842 -2.477 -6.526
384 HD2 ARG 53 HD2 ARG 53 -5.819 -2.630 -9.030
385 HD3 ARG 53 HD1 ARG 53 -4.100 -3.015 -8.922
386 HE ARG 53 HE ARG 53 -5.520 -4.739 -7.224
387 HH11 ARG 53 HH11 ARG 53 -5.069 -4.270 -10.753
388 HH12 ARG 53 HH12 ARG 53 -5.408 -5.919 -11.072
389 HH21 ARG 53 HH21 ARG 53 -5.860 -6.937 -7.765
390 HH22 ARG 53 HH22 ARG 53 -5.806 -7.445 -9.396
391 H PHE 54 HN PHE 54 -6.934 1.235 -6.136
392 HA PHE 54 HA PHE 54 -9.042 -0.735 -5.621
393 HB2 PHE 54 HB2 PHE 54 -7.853 1.311 -3.772
394 HB3 PHE 54 HB1 PHE 54 -9.071 0.117 -3.349
395 HD1 PHE 54 HD1 PHE 54 -8.223 -2.380 -4.298
396 HD2 PHE 54 HD2 PHE 54 -5.786 0.829 -2.910
397 HE1 PHE 54 HE1 PHE 54 -6.452 -3.960 -3.712
398 HE2 PHE 54 HE2 PHE 54 -4.031 -0.786 -2.296
399 HZ PHE 54 HZ PHE 54 -4.360 -3.154 -2.727
400 H ASP 55 HN ASP 55 -8.640 2.221 -7.002
401 HA ASP 55 HA ASP 55 -9.999 3.767 -7.861
402 HB2 ASP 55 HB2 ASP 55 -11.622 1.835 -8.172
403 HB3 ASP 55 HB1 ASP 55 -12.375 2.310 -6.658
404 H VAL 56 HN VAL 56 -9.381 3.421 -4.807
405 HA VAL 56 HA VAL 56 -10.944 5.712 -3.865
406 HB VAL 56 HB VAL 56 -11.241 3.853 -2.391
407 HG11 VAL 56 HG11 VAL 56 -9.389 2.704 -1.233
408 HG12 VAL 56 HG12 VAL 56 -8.234 3.637 -2.185
409 HG13 VAL 56 HG13 VAL 56 -9.307 2.488 -2.983
410 HG21 VAL 56 HG21 VAL 56 -10.346 4.680 -0.264
411 HG22 VAL 56 HG22 VAL 56 -11.019 5.975 -1.259
412 HG23 VAL 56 HG23 VAL 56 -9.267 5.760 -1.149
413 H LYS 57 HN LYS 57 -9.990 7.562 -3.757
414 HA LYS 57 HA LYS 57 -7.230 7.877 -4.410
415 HB2 LYS 57 HB2 LYS 57 -9.138 9.954 -3.296
416 HB3 LYS 57 HB1 LYS 57 -7.574 10.276 -4.027
417 HG2 LYS 57 HG2 LYS 57 -9.997 9.147 -5.427
418 HG3 LYS 57 HG1 LYS 57 -9.391 10.794 -5.555
419 HD2 LYS 57 HD2 LYS 57 -7.893 8.308 -6.411
420 HD3 LYS 57 HD1 LYS 57 -8.783 9.373 -7.492
421 HE2 LYS 57 HE2 LYS 57 -6.385 10.147 -5.821
422 HE3 LYS 57 HE1 LYS 57 -6.361 9.795 -7.545
423 HZ1 LYS 57 HZ1 LYS 57 -7.639 12.109 -6.181
424 HZ2 LYS 57 HZ2 LYS 57 -7.976 11.724 -7.770
425 HZ3 LYS 57 HZ3 LYS 57 -6.402 12.131 -7.332
426 H ILE 58 HN ILE 58 -5.549 8.122 -3.148
427 HA ILE 58 HA ILE 58 -5.915 8.194 -0.243
428 HB ILE 58 HB ILE 58 -3.802 6.515 -1.656
429 HG12 ILE 58 HG12 ILE 58 -6.362 5.535 -0.357
430 HG13 ILE 58 HG11 ILE 58 -6.072 5.586 -2.089
431 HG21 ILE 58 HG21 ILE 58 -3.484 5.528 0.581
432 HG22 ILE 58 HG22 ILE 58 -4.729 6.593 1.223
433 HG23 ILE 58 HG23 ILE 58 -3.222 7.273 0.601
434 HD11 ILE 58 HD11 ILE 58 -5.805 3.351 -1.197
435 HD12 ILE 58 HD12 ILE 58 -4.565 3.924 -0.085
436 HD13 ILE 58 HD13 ILE 58 -4.274 3.956 -1.827
437 HA PRO 59 HA PRO 59 -3.162 11.472 -1.643
438 HB2 PRO 59 HB2 PRO 59 -3.610 13.164 0.416
439 HB3 PRO 59 HB1 PRO 59 -4.704 13.010 -0.963
440 HG2 PRO 59 HG2 PRO 59 -4.960 11.924 1.791
441 HG3 PRO 59 HG1 PRO 59 -6.217 12.506 0.688
442 HD2 PRO 59 HD2 PRO 59 -5.607 9.843 1.159
443 HD3 PRO 59 HD1 PRO 59 -6.473 10.456 -0.262
444 H ASP 60 HN ASP 60 -1.092 11.753 -1.275
445 HA ASP 60 HA ASP 60 0.701 10.601 0.266
446 HB2 ASP 60 HB2 ASP 60 1.402 12.151 -1.373
447 HB3 ASP 60 HB1 ASP 60 0.580 13.484 -0.582
448 H ASP 61 HN ASP 61 -1.295 13.243 1.499
449 HA ASP 61 HA ASP 61 0.220 13.358 3.945
450 HB2 ASP 61 HB2 ASP 61 -2.273 14.806 3.117
451 HB3 ASP 61 HB1 ASP 61 -1.562 14.959 4.716
452 H ASP 62 HN ASP 62 -2.684 11.786 2.934
453 HA ASP 62 HA ASP 62 -3.463 11.197 5.698
454 HB2 ASP 62 HB2 ASP 62 -5.114 11.669 3.753
455 HB3 ASP 62 HB1 ASP 62 -4.683 10.073 3.165
456 H VAL 63 HN VAL 63 -1.976 9.813 2.926
457 HA VAL 63 HA VAL 63 -1.940 7.155 3.726
458 HB VAL 63 HB VAL 63 -1.306 8.271 1.447
459 HG11 VAL 63 HG11 VAL 63 1.068 8.310 0.942
460 HG12 VAL 63 HG12 VAL 63 1.420 8.073 2.655
461 HG13 VAL 63 HG13 VAL 63 0.593 9.535 2.119
462 HG21 VAL 63 HG21 VAL 63 0.061 5.812 2.442
463 HG22 VAL 63 HG22 VAL 63 -0.119 6.293 0.747
464 HG23 VAL 63 HG23 VAL 63 -1.552 5.937 1.722
465 H LYS 64 HN LYS 64 -0.198 9.834 4.832
466 HA LYS 64 HA LYS 64 2.071 8.660 5.922
467 HB2 LYS 64 HB2 LYS 64 0.583 11.144 6.762
468 HB3 LYS 64 HB1 LYS 64 2.176 10.697 7.365
469 HG2 LYS 64 HG2 LYS 64 3.124 10.861 5.167
470 HG3 LYS 64 HG1 LYS 64 1.535 11.091 4.456
471 HD2 LYS 64 HD2 LYS 64 1.317 13.231 5.618
472 HD3 LYS 64 HD1 LYS 64 2.911 12.995 6.346
473 HE2 LYS 64 HE2 LYS 64 3.970 13.002 4.185
474 HE3 LYS 64 HE1 LYS 64 2.408 13.043 3.376
475 HZ1 LYS 64 HZ1 LYS 64 3.600 15.180 3.465
476 HZ2 LYS 64 HZ2 LYS 64 3.333 15.241 5.159
477 HZ3 LYS 64 HZ3 LYS 64 2.040 15.240 4.080
478 H ASN 65 HN ASN 65 -1.100 8.177 6.825
479 HA ASN 65 HA ASN 65 -0.660 7.665 9.653
480 HB2 ASN 65 HB2 ASN 65 -2.798 8.641 8.884
481 HB3 ASN 65 HB1 ASN 65 -3.061 7.251 7.845
482 HD21 ASN 65 HD21 ASN 65 -3.122 8.472 11.045
483 HD22 ASN 65 HD22 ASN 65 -3.917 7.117 11.797
484 H LEU 66 HN LEU 66 -0.555 6.138 6.600
485 HA LEU 66 HA LEU 66 -1.078 3.493 7.661
486 HB2 LEU 66 HB2 LEU 66 -0.511 4.181 4.799
487 HB3 LEU 66 HB1 LEU 66 -1.407 2.839 5.486
488 HG LEU 66 HG LEU 66 -2.379 5.700 5.356
489 HD11 LEU 66 HD11 LEU 66 -2.251 4.732 3.157
490 HD12 LEU 66 HD12 LEU 66 -3.935 4.893 3.662
491 HD13 LEU 66 HD13 LEU 66 -3.149 3.314 3.700
492 HD21 LEU 66 HD21 LEU 66 -4.553 4.795 5.992
493 HD22 LEU 66 HD22 LEU 66 -3.362 4.455 7.258
494 HD23 LEU 66 HD23 LEU 66 -3.865 3.189 6.127
495 H LYS 67 HN LYS 67 0.747 2.642 8.430
496 HA LYS 67 HA LYS 67 3.112 3.055 6.811
497 HB2 LYS 67 HB2 LYS 67 4.262 2.161 9.148
498 HB3 LYS 67 HB1 LYS 67 4.133 3.836 8.645
499 HG2 LYS 67 HG2 LYS 67 3.427 3.690 10.912
500 HG3 LYS 67 HG1 LYS 67 2.000 3.978 9.911
501 HD2 LYS 67 HD2 LYS 67 1.573 1.517 9.984
502 HD3 LYS 67 HD1 LYS 67 2.887 1.382 11.155
503 HE2 LYS 67 HE2 LYS 67 1.714 2.826 12.700
504 HE3 LYS 67 HE1 LYS 67 0.478 3.136 11.475
505 HZ1 LYS 67 HZ1 LYS 67 0.996 0.466 12.696
506 HZ2 LYS 67 HZ2 LYS 67 -0.188 0.850 11.565
507 HZ3 LYS 67 HZ3 LYS 67 -0.279 1.505 13.106
508 H THR 68 HN THR 68 1.139 0.543 8.134
509 HA THR 68 HA THR 68 2.937 -1.310 6.764
510 HB THR 68 HB THR 68 1.554 -3.139 7.671
511 HG1 THR 68 HG1 THR 68 0.273 -1.107 9.195
512 HG21 THR 68 HG21 THR 68 3.544 -2.515 8.801
513 HG22 THR 68 HG22 THR 68 2.310 -3.044 9.948
514 HG23 THR 68 HG23 THR 68 2.678 -1.307 9.771
515 H VAL 69 HN VAL 69 1.727 -3.117 5.725
516 HA VAL 69 HA VAL 69 0.037 -2.193 3.656
517 HB VAL 69 HB VAL 69 -0.312 -4.676 3.284
518 HG11 VAL 69 HG11 VAL 69 1.551 -3.444 2.192
519 HG12 VAL 69 HG12 VAL 69 2.033 -5.091 2.603
520 HG13 VAL 69 HG13 VAL 69 2.554 -3.740 3.610
521 HG21 VAL 69 HG21 VAL 69 1.601 -4.842 5.558
522 HG22 VAL 69 HG22 VAL 69 1.105 -6.179 4.522
523 HG23 VAL 69 HG23 VAL 69 -0.079 -5.366 5.549
524 H GLY 70 HN GLY 70 -0.439 -3.729 6.764
525 HA2 GLY 70 HA2 GLY 70 -3.194 -4.220 6.555
526 HA3 GLY 70 HA1 GLY 70 -2.292 -4.068 8.065
527 H ASP 71 HN ASP 71 -1.340 -1.446 7.655
528 HA ASP 71 HA ASP 71 -3.561 0.130 8.465
529 HB2 ASP 71 HB2 ASP 71 -0.893 1.077 7.427
530 HB3 ASP 71 HB1 ASP 71 -2.137 2.119 8.094
531 H ALA 72 HN ALA 72 -1.758 -0.056 5.436
532 HA ALA 72 HA ALA 72 -3.172 1.806 3.954
533 HB1 ALA 72 HB1 ALA 72 -1.188 0.648 3.103
534 HB2 ALA 72 HB2 ALA 72 -2.535 0.500 1.972
535 HB3 ALA 72 HB3 ALA 72 -2.101 -0.859 3.009
536 H THR 73 HN THR 73 -3.780 -1.696 3.950
537 HA THR 73 HA THR 73 -6.262 -1.851 2.941
538 HB THR 73 HB THR 73 -5.218 -3.389 5.326
539 HG1 THR 73 HG1 THR 73 -3.729 -3.710 3.789
540 HG21 THR 73 HG21 THR 73 -7.612 -3.784 4.867
541 HG22 THR 73 HG22 THR 73 -6.650 -5.206 4.450
542 HG23 THR 73 HG23 THR 73 -7.227 -4.119 3.182
543 H LYS 74 HN LYS 74 -5.554 -1.079 6.403
544 HA LYS 74 HA LYS 74 -8.115 -0.916 7.439
545 HB2 LYS 74 HB2 LYS 74 -6.150 -0.691 8.812
546 HB3 LYS 74 HB1 LYS 74 -5.687 0.783 7.983
547 HG2 LYS 74 HG2 LYS 74 -7.651 1.911 8.941
548 HG3 LYS 74 HG1 LYS 74 -8.069 0.418 9.791
549 HD2 LYS 74 HD2 LYS 74 -6.879 1.832 11.323
550 HD3 LYS 74 HD1 LYS 74 -5.856 0.469 10.852
551 HE2 LYS 74 HE2 LYS 74 -4.479 2.426 10.859
552 HE3 LYS 74 HE1 LYS 74 -4.750 1.965 9.182
553 HZ1 LYS 74 HZ1 LYS 74 -4.946 4.372 9.564
554 HZ2 LYS 74 HZ2 LYS 74 -6.185 4.114 10.644
555 HZ3 LYS 74 HZ3 LYS 74 -6.428 3.776 9.017
556 H TYR 75 HN TYR 75 -6.384 1.462 5.521
557 HA TYR 75 HA TYR 75 -8.393 3.505 5.791
558 HB2 TYR 75 HB2 TYR 75 -6.073 4.155 5.422
559 HB3 TYR 75 HB1 TYR 75 -6.012 3.219 3.940
560 HD1 TYR 75 HD1 TYR 75 -7.167 6.337 5.490
561 HD2 TYR 75 HD2 TYR 75 -7.018 4.094 1.883
562 HE1 TYR 75 HE1 TYR 75 -7.766 8.350 4.203
563 HE2 TYR 75 HE2 TYR 75 -7.634 6.103 0.604
564 HH TYR 75 HH TYR 75 -8.575 8.219 0.829
565 H ILE 76 HN ILE 76 -7.157 1.483 3.243
566 HA ILE 76 HA ILE 76 -8.901 2.184 1.241
567 HB ILE 76 HB ILE 76 -7.424 -0.428 1.643
568 HG12 ILE 76 HG12 ILE 76 -6.596 2.008 0.067
569 HG13 ILE 76 HG11 ILE 76 -6.082 1.703 1.722
570 HG21 ILE 76 HG21 ILE 76 -9.189 -0.522 -0.066
571 HG22 ILE 76 HG22 ILE 76 -7.577 -0.646 -0.777
572 HG23 ILE 76 HG23 ILE 76 -8.475 0.872 -0.876
573 HD11 ILE 76 HD11 ILE 76 -5.529 -0.053 -0.651
574 HD12 ILE 76 HD12 ILE 76 -5.022 -0.356 1.011
575 HD13 ILE 76 HD13 ILE 76 -4.381 1.037 0.135
576 H LEU 77 HN LEU 77 -9.094 -0.601 3.448
577 HA LEU 77 HA LEU 77 -11.441 -1.751 2.390
578 HB2 LEU 77 HB2 LEU 77 -10.003 -2.929 3.928
579 HB3 LEU 77 HB1 LEU 77 -10.368 -1.783 5.199
580 HG LEU 77 HG LEU 77 -12.773 -2.537 4.966
581 HD11 LEU 77 HD11 LEU 77 -11.499 -4.782 3.455
582 HD12 LEU 77 HD12 LEU 77 -12.692 -3.627 2.863
583 HD13 LEU 77 HD13 LEU 77 -13.134 -4.790 4.113
584 HD21 LEU 77 HD21 LEU 77 -11.393 -3.086 6.861
585 HD22 LEU 77 HD22 LEU 77 -10.692 -4.448 5.986
586 HD23 LEU 77 HD23 LEU 77 -12.400 -4.465 6.427
587 H ASP 78 HN ASP 78 -10.986 0.815 4.636
588 HA ASP 78 HA ASP 78 -13.834 0.877 5.379
589 HB2 ASP 78 HB2 ASP 78 -12.234 1.290 7.162
590 HB3 ASP 78 HB1 ASP 78 -11.517 2.613 6.256
591 H HIS 79 HN HIS 79 -11.592 2.534 3.438
592 HA HIS 79 HA HIS 79 -13.444 4.679 2.797
593 HB2 HIS 79 HB2 HIS 79 -10.507 4.309 2.434
594 HB3 HIS 79 HB1 HIS 79 -11.312 5.583 1.553
595 HD1 HIS 79 HD1 HIS 79 -11.328 7.748 2.772
596 HD2 HIS 79 HD2 HIS 79 -10.969 4.545 5.390
597 HE1 HIS 79 HE1 HIS 79 -11.024 8.764 5.054
598 HE2 HIS 79 HE2 HIS 79 -10.460 6.810 6.520
599 H GLN 80 HN GLN 80 -13.044 1.683 1.685
600 HA GLN 80 HA GLN 80 -12.696 1.473 -0.944
601 HB2 GLN 80 HB2 GLN 80 -14.832 0.425 0.791
602 HB3 GLN 80 HB1 GLN 80 -14.736 -0.075 -0.905
603 HG2 GLN 80 HG2 GLN 80 -12.733 -0.474 1.297
604 HG3 GLN 80 HG1 GLN 80 -13.791 -1.698 0.603
605 HE21 GLN 80 HE21 GLN 80 -11.025 -1.723 0.817
606 HE22 GLN 80 HE22 GLN 80 -10.356 -1.856 -0.772
607 H ALA 81 HN ALA 81 -13.651 1.953 -2.779
608 HA ALA 81 HA ALA 81 -15.605 3.992 -2.937
609 HB1 ALA 81 HB1 ALA 81 -13.841 3.742 -4.619
610 HB2 ALA 81 HB2 ALA 81 -15.439 3.594 -5.354
611 HB3 ALA 81 HB3 ALA 81 -14.471 2.152 -5.049
612 H2 SHW 101 H2A SHW 101 2.330 6.034 2.820
613 H2A SHW 101 H2B SHW 101 3.559 5.547 1.650
614 H3 SHW 101 H3A SHW 101 3.193 4.621 4.528
615 HO3 SHW 101 HO3 SHW 101 5.337 4.323 2.753
616 H4 SHW 101 H4A SHW 101 2.828 2.427 3.415
617 H4A SHW 101 H4B SHW 101 2.970 3.225 1.854
618 H5 SHW 101 H5A SHW 101 1.038 4.675 2.563
619 H5A SHW 101 H5B SHW 101 0.824 3.572 3.919
620 H6 SHW 101 H6A SHW 101 -0.674 2.943 2.143
621 H6A SHW 101 H6B SHW 101 0.574 1.704 2.320
622 H7 SHW 101 H7A SHW 101 1.775 2.591 0.401
623 H7A SHW 101 H7B SHW 101 0.602 3.915 0.258
624 H8 SHW 101 H8C SHW 101 0.137 2.115 -1.335
625 H8A SHW 101 H8A SHW 101 -1.165 2.281 -0.157
626 H8B SHW 101 H8B SHW 101 0.006 0.972 0.001
627 H28 SHW 101 H28A SHW 101 12.129 10.696 2.615
628 H28A SHW 101 H28B SHW 101 11.347 10.252 1.098
629 H30 SHW 101 H30A SHW 101 9.812 9.517 4.353
630 H30A SHW 101 H30B SHW 101 8.921 11.030 4.515
631 H30B SHW 101 H30C SHW 101 10.677 11.020 4.676
632 H31 SHW 101 H31A SHW 101 10.197 12.529 1.384
633 H31A SHW 101 H31B SHW 101 10.901 12.724 2.988
634 H31B SHW 101 H31C SHW 101 9.152 12.800 2.779
635 H32 SHW 101 H32A SHW 101 7.805 10.555 2.427
636 HO33 SHW 101 H33A SHW 101 8.411 10.009 0.045
637 HN36 SHW 101 H36A SHW 101 8.985 8.671 3.536
638 H37 SHW 101 H37A SHW 101 7.611 6.360 2.607
639 H37A SHW 101 H37B SHW 101 9.334 6.168 2.267
640 H38 SHW 101 H38A SHW 101 8.643 5.109 4.405
641 H38A SHW 101 H38B SHW 101 9.851 6.355 4.619
642 HN41 SHW 101 H41A SHW 101 6.685 7.412 3.905
643 H42 SHW 101 H42A SHW 101 5.385 7.680 6.382
644 H42A SHW 101 H42B SHW 101 6.416 9.054 6.066
645 H43 SHW 101 H43A SHW 101 5.442 9.189 3.773
646 H43A SHW 101 H43B SHW 101 4.559 9.855 5.155
Start of MODEL 5
1 H1 ALA 1 HT1 ALA 1 -18.415 -2.289 1.280
2 H2 ALA 1 HT2 ALA 1 -18.365 -3.664 0.280
3 H3 ALA 1 HT3 ALA 1 -17.699 -2.206 -0.259
4 HA ALA 1 HA ALA 1 -15.987 -2.311 1.358
5 HB1 ALA 1 HB1 ALA 1 -15.743 -4.312 2.749
6 HB2 ALA 1 HB2 ALA 1 -17.274 -4.934 2.131
7 HB3 ALA 1 HB3 ALA 1 -17.250 -3.470 3.114
8 H ALA 2 HN ALA 2 -14.176 -4.184 1.223
9 HA ALA 2 HA ALA 2 -14.513 -5.852 -1.091
10 HB1 ALA 2 HB1 ALA 2 -12.236 -3.870 -0.785
11 HB2 ALA 2 HB2 ALA 2 -13.483 -3.822 -2.032
12 HB3 ALA 2 HB3 ALA 2 -12.321 -5.146 -2.000
13 H THR 3 HN THR 3 -12.872 -7.542 -1.017
14 HA THR 3 HA THR 3 -12.518 -8.447 1.625
15 HB THR 3 HB THR 3 -11.162 -9.501 -0.868
16 HG1 THR 3 HG1 THR 3 -13.125 -9.876 -1.613
17 HG21 THR 3 HG21 THR 3 -11.497 -11.635 0.279
18 HG22 THR 3 HG22 THR 3 -12.304 -10.775 1.601
19 HG23 THR 3 HG23 THR 3 -10.591 -10.503 1.292
20 H GLN 4 HN GLN 4 -10.800 -8.109 2.951
21 HA GLN 4 HA GLN 4 -8.905 -6.107 2.580
22 HB2 GLN 4 HB2 GLN 4 -8.785 -8.482 4.430
23 HB3 GLN 4 HB1 GLN 4 -7.756 -7.065 4.547
24 HG2 GLN 4 HG2 GLN 4 -9.694 -5.667 4.979
25 HG3 GLN 4 HG1 GLN 4 -10.742 -7.052 4.750
26 HE21 GLN 4 HE21 GLN 4 -8.355 -5.636 6.895
27 HE22 GLN 4 HE22 GLN 4 -8.720 -6.669 8.227
28 H GLU 5 HN GLU 5 -8.664 -9.493 1.982
29 HA GLU 5 HA GLU 5 -5.838 -9.553 1.527
30 HB2 GLU 5 HB2 GLU 5 -6.231 -11.843 0.697
31 HB3 GLU 5 HB1 GLU 5 -6.966 -11.547 2.268
32 HG2 GLU 5 HG2 GLU 5 -9.090 -11.085 1.051
33 HG3 GLU 5 HG1 GLU 5 -8.307 -11.711 -0.397
34 H GLU 6 HN GLU 6 -8.609 -8.921 -0.403
35 HA GLU 6 HA GLU 6 -7.411 -9.238 -2.970
36 HB2 GLU 6 HB2 GLU 6 -9.833 -9.324 -2.605
37 HB3 GLU 6 HB1 GLU 6 -9.815 -7.674 -2.014
38 HG2 GLU 6 HG2 GLU 6 -9.097 -6.951 -4.271
39 HG3 GLU 6 HG1 GLU 6 -9.291 -8.620 -4.814
40 H ILE 7 HN ILE 7 -7.901 -6.757 -0.623
41 HA ILE 7 HA ILE 7 -6.956 -4.536 -2.065
42 HB ILE 7 HB ILE 7 -6.859 -5.034 0.912
43 HG12 ILE 7 HG12 ILE 7 -9.174 -4.112 -0.827
44 HG13 ILE 7 HG11 ILE 7 -9.065 -5.516 0.180
45 HG21 ILE 7 HG21 ILE 7 -7.054 -2.576 1.048
46 HG22 ILE 7 HG22 ILE 7 -7.034 -2.489 -0.713
47 HG23 ILE 7 HG23 ILE 7 -5.614 -3.068 0.156
48 HD11 ILE 7 HD11 ILE 7 -9.072 -4.191 2.188
49 HD12 ILE 7 HD12 ILE 7 -10.473 -3.812 1.188
50 HD13 ILE 7 HD13 ILE 7 -9.098 -2.708 1.236
51 H VAL 8 HN VAL 8 -5.456 -6.595 0.410
52 HA VAL 8 HA VAL 8 -2.882 -5.618 0.151
53 HB VAL 8 HB VAL 8 -3.892 -8.303 1.115
54 HG11 VAL 8 HG11 VAL 8 -1.609 -8.600 0.319
55 HG12 VAL 8 HG12 VAL 8 -1.676 -8.676 2.082
56 HG13 VAL 8 HG13 VAL 8 -1.073 -7.217 1.278
57 HG21 VAL 8 HG21 VAL 8 -3.378 -7.328 3.299
58 HG22 VAL 8 HG22 VAL 8 -4.504 -6.308 2.391
59 HG23 VAL 8 HG23 VAL 8 -2.816 -5.862 2.499
60 H ALA 9 HN ALA 9 -4.452 -8.176 -1.712
61 HA ALA 9 HA ALA 9 -2.210 -8.992 -3.206
62 HB1 ALA 9 HB1 ALA 9 -3.810 -9.829 -4.850
63 HB2 ALA 9 HB2 ALA 9 -5.096 -8.896 -4.088
64 HB3 ALA 9 HB3 ALA 9 -4.337 -10.230 -3.213
65 H GLY 10 HN GLY 10 -4.513 -6.391 -3.630
66 HA2 GLY 10 HA2 GLY 10 -3.600 -5.470 -6.149
67 HA3 GLY 10 HA1 GLY 10 -4.543 -4.554 -4.970
68 H LEU 11 HN LEU 11 -2.917 -4.565 -2.836
69 HA LEU 11 HA LEU 11 -1.063 -2.540 -3.364
70 HB2 LEU 11 HB2 LEU 11 -1.214 -4.476 -1.062
71 HB3 LEU 11 HB1 LEU 11 -0.151 -3.086 -1.115
72 HG LEU 11 HG LEU 11 -3.164 -2.947 -1.181
73 HD11 LEU 11 HD11 LEU 11 -2.958 -2.125 1.108
74 HD12 LEU 11 HD12 LEU 11 -1.215 -2.409 1.051
75 HD13 LEU 11 HD13 LEU 11 -2.333 -3.769 0.956
76 HD21 LEU 11 HD21 LEU 11 -2.808 -0.558 -0.790
77 HD22 LEU 11 HD22 LEU 11 -2.070 -1.075 -2.308
78 HD23 LEU 11 HD23 LEU 11 -1.063 -0.800 -0.885
79 H ALA 12 HN ALA 12 -0.590 -5.995 -2.808
80 HA ALA 12 HA ALA 12 2.161 -6.155 -2.941
81 HB1 ALA 12 HB1 ALA 12 1.843 -8.504 -3.430
82 HB2 ALA 12 HB2 ALA 12 0.162 -8.199 -3.866
83 HB3 ALA 12 HB3 ALA 12 0.698 -7.961 -2.205
84 H GLU 13 HN GLU 13 -0.175 -6.348 -5.559
85 HA GLU 13 HA GLU 13 1.802 -6.885 -7.525
86 HB2 GLU 13 HB2 GLU 13 0.122 -6.306 -9.279
87 HB3 GLU 13 HB1 GLU 13 -0.472 -7.471 -8.109
88 HG2 GLU 13 HG2 GLU 13 -1.721 -5.721 -6.994
89 HG3 GLU 13 HG1 GLU 13 -1.097 -4.531 -8.125
90 H ILE 14 HN ILE 14 0.484 -3.925 -6.394
91 HA ILE 14 HA ILE 14 1.740 -2.164 -8.158
92 HB ILE 14 HB ILE 14 0.909 -1.891 -5.269
93 HG12 ILE 14 HG12 ILE 14 -0.393 -0.819 -7.750
94 HG13 ILE 14 HG11 ILE 14 -0.768 -2.394 -7.049
95 HG21 ILE 14 HG21 ILE 14 1.714 0.287 -7.189
96 HG22 ILE 14 HG22 ILE 14 2.603 -0.218 -5.751
97 HG23 ILE 14 HG23 ILE 14 1.015 0.536 -5.585
98 HD11 ILE 14 HD11 ILE 14 -1.052 0.263 -5.671
99 HD12 ILE 14 HD12 ILE 14 -1.418 -1.344 -5.008
100 HD13 ILE 14 HD13 ILE 14 -2.361 -0.720 -6.363
101 H VAL 15 HN VAL 15 2.579 -3.301 -4.919
102 HA VAL 15 HA VAL 15 5.032 -2.077 -4.539
103 HB VAL 15 HB VAL 15 4.057 -4.733 -3.459
104 HG11 VAL 15 HG11 VAL 15 6.496 -4.598 -3.248
105 HG12 VAL 15 HG12 VAL 15 5.724 -4.451 -1.669
106 HG13 VAL 15 HG13 VAL 15 6.347 -3.017 -2.482
107 HG21 VAL 15 HG21 VAL 15 2.649 -2.865 -2.865
108 HG22 VAL 15 HG22 VAL 15 4.051 -1.970 -2.276
109 HG23 VAL 15 HG23 VAL 15 3.534 -3.443 -1.454
110 H ASN 16 HN ASN 16 4.396 -5.293 -5.914
111 HA ASN 16 HA ASN 16 7.117 -5.922 -6.282
112 HB2 ASN 16 HB2 ASN 16 5.208 -7.545 -6.391
113 HB3 ASN 16 HB1 ASN 16 4.859 -6.919 -8.000
114 HD21 ASN 16 HD21 ASN 16 7.212 -8.567 -6.065
115 HD22 ASN 16 HD22 ASN 16 8.074 -9.333 -7.338
116 H GLU 17 HN GLU 17 4.915 -4.070 -8.189
117 HA GLU 17 HA GLU 17 6.535 -4.007 -10.550
118 HB2 GLU 17 HB2 GLU 17 4.074 -3.692 -10.542
119 HB3 GLU 17 HB1 GLU 17 4.296 -2.173 -9.691
120 HG2 GLU 17 HG2 GLU 17 3.911 -1.737 -12.000
121 HG3 GLU 17 HG1 GLU 17 5.582 -1.325 -11.615
122 H ILE 18 HN ILE 18 5.894 -1.757 -7.891
123 HA ILE 18 HA ILE 18 7.794 0.177 -8.993
124 HB ILE 18 HB ILE 18 5.983 0.371 -6.574
125 HG12 ILE 18 HG12 ILE 18 5.683 1.668 -9.242
126 HG13 ILE 18 HG11 ILE 18 4.913 0.105 -8.904
127 HG21 ILE 18 HG21 ILE 18 7.533 2.473 -8.107
128 HG22 ILE 18 HG22 ILE 18 7.920 1.888 -6.489
129 HG23 ILE 18 HG23 ILE 18 6.427 2.784 -6.769
130 HD11 ILE 18 HD11 ILE 18 3.674 1.254 -7.098
131 HD12 ILE 18 HD12 ILE 18 3.362 1.936 -8.694
132 HD13 ILE 18 HD13 ILE 18 4.446 2.763 -7.575
133 H ALA 19 HN ALA 19 7.306 -1.460 -5.852
134 HA ALA 19 HA ALA 19 9.772 -0.477 -4.721
135 HB1 ALA 19 HB1 ALA 19 7.820 -0.935 -3.344
136 HB2 ALA 19 HB2 ALA 19 9.201 -1.912 -2.846
137 HB3 ALA 19 HB3 ALA 19 7.897 -2.639 -3.790
138 H GLY 20 HN GLY 20 8.635 -3.333 -6.332
139 HA2 GLY 20 HA2 GLY 20 9.854 -4.982 -7.420
140 HA3 GLY 20 HA1 GLY 20 11.335 -4.296 -6.776
141 H ILE 21 HN ILE 21 8.717 -4.982 -4.678
142 HA ILE 21 HA ILE 21 10.378 -7.016 -3.396
143 HB ILE 21 HB ILE 21 8.085 -5.371 -2.276
144 HG12 ILE 21 HG12 ILE 21 10.058 -4.008 -2.645
145 HG13 ILE 21 HG11 ILE 21 9.832 -4.265 -0.920
146 HG21 ILE 21 HG21 ILE 21 8.163 -7.531 -1.177
147 HG22 ILE 21 HG22 ILE 21 8.701 -6.260 -0.078
148 HG23 ILE 21 HG23 ILE 21 9.882 -7.320 -0.846
149 HD11 ILE 21 HD11 ILE 21 11.588 -5.973 -0.953
150 HD12 ILE 21 HD12 ILE 21 12.177 -4.416 -1.535
151 HD13 ILE 21 HD13 ILE 21 11.810 -5.704 -2.682
152 HA PRO 22 HA PRO 22 7.917 -10.672 -4.458
153 HB2 PRO 22 HB2 PRO 22 7.898 -11.213 -1.637
154 HB3 PRO 22 HB1 PRO 22 8.779 -12.046 -2.921
155 HG2 PRO 22 HG2 PRO 22 9.705 -9.934 -1.084
156 HG3 PRO 22 HG1 PRO 22 10.654 -11.114 -2.008
157 HD2 PRO 22 HD2 PRO 22 10.688 -8.539 -2.699
158 HD3 PRO 22 HD1 PRO 22 10.598 -9.830 -3.934
159 H VAL 23 HN VAL 23 6.003 -10.717 -4.920
160 HA VAL 23 HA VAL 23 3.940 -9.114 -3.972
161 HB VAL 23 HB VAL 23 3.749 -11.852 -5.266
162 HG11 VAL 23 HG11 VAL 23 1.555 -11.133 -6.069
163 HG12 VAL 23 HG12 VAL 23 1.717 -9.635 -5.151
164 HG13 VAL 23 HG13 VAL 23 1.626 -11.182 -4.306
165 HG21 VAL 23 HG21 VAL 23 3.529 -10.642 -7.385
166 HG22 VAL 23 HG22 VAL 23 5.089 -10.353 -6.614
167 HG23 VAL 23 HG23 VAL 23 3.828 -9.124 -6.539
168 H GLU 24 HN GLU 24 5.066 -12.307 -3.008
169 HA GLU 24 HA GLU 24 2.928 -12.282 -1.189
170 HB2 GLU 24 HB2 GLU 24 4.462 -14.634 -2.194
171 HB3 GLU 24 HB1 GLU 24 3.387 -14.775 -0.803
172 HG2 GLU 24 HG2 GLU 24 1.536 -13.902 -2.145
173 HG3 GLU 24 HG1 GLU 24 2.604 -13.790 -3.535
174 H ASP 25 HN ASP 25 5.907 -11.265 -0.987
175 HA ASP 25 HA ASP 25 6.263 -12.097 1.777
176 HB2 ASP 25 HB2 ASP 25 8.287 -11.560 0.360
177 HB3 ASP 25 HB1 ASP 25 7.738 -9.880 0.339
178 H VAL 26 HN VAL 26 4.819 -9.755 -0.119
179 HA VAL 26 HA VAL 26 4.304 -7.760 1.830
180 HB VAL 26 HB VAL 26 3.178 -8.340 -0.942
181 HG11 VAL 26 HG11 VAL 26 1.949 -6.277 -0.905
182 HG12 VAL 26 HG12 VAL 26 2.406 -5.969 0.781
183 HG13 VAL 26 HG13 VAL 26 1.348 -7.333 0.369
184 HG21 VAL 26 HG21 VAL 26 4.307 -6.260 -1.503
185 HG22 VAL 26 HG22 VAL 26 5.433 -7.413 -0.771
186 HG23 VAL 26 HG23 VAL 26 4.791 -6.069 0.178
187 H LYS 27 HN LYS 27 3.788 -9.281 3.438
188 HA LYS 27 HA LYS 27 1.001 -10.225 3.540
189 HB2 LYS 27 HB2 LYS 27 3.018 -10.477 5.743
190 HB3 LYS 27 HB1 LYS 27 1.617 -11.456 5.418
191 HG2 LYS 27 HG2 LYS 27 2.653 -12.404 3.422
192 HG3 LYS 27 HG1 LYS 27 4.093 -11.432 3.755
193 HD2 LYS 27 HD2 LYS 27 4.485 -12.589 5.808
194 HD3 LYS 27 HD1 LYS 27 2.962 -13.470 5.660
195 HE2 LYS 27 HE2 LYS 27 4.774 -14.900 5.021
196 HE3 LYS 27 HE1 LYS 27 3.764 -14.481 3.627
197 HZ1 LYS 27 HZ1 LYS 27 6.336 -13.133 4.277
198 HZ2 LYS 27 HZ2 LYS 27 5.423 -12.965 2.843
199 HZ3 LYS 27 HZ3 LYS 27 6.222 -14.385 3.156
200 H LEU 28 HN LEU 28 0.332 -9.791 6.019
201 HA LEU 28 HA LEU 28 0.066 -6.875 5.876
202 HB2 LEU 28 HB2 LEU 28 -1.487 -8.876 7.413
203 HB3 LEU 28 HB1 LEU 28 -1.589 -7.181 7.839
204 HG LEU 28 HG LEU 28 -2.333 -6.758 5.469
205 HD11 LEU 28 HD11 LEU 28 -3.254 -8.571 4.224
206 HD12 LEU 28 HD12 LEU 28 -2.645 -9.749 5.400
207 HD13 LEU 28 HD13 LEU 28 -1.519 -8.772 4.435
208 HD21 LEU 28 HD21 LEU 28 -3.841 -6.771 7.323
209 HD22 LEU 28 HD22 LEU 28 -4.015 -8.525 7.208
210 HD23 LEU 28 HD23 LEU 28 -4.617 -7.485 5.905
211 H ASP 29 HN ASP 29 2.271 -8.489 7.291
212 HA ASP 29 HA ASP 29 2.373 -6.749 9.668
213 HB2 ASP 29 HB2 ASP 29 3.981 -9.156 8.920
214 HB3 ASP 29 HB1 ASP 29 4.153 -8.186 10.378
215 H LYS 30 HN LYS 30 3.036 -6.469 6.698
216 HA LYS 30 HA LYS 30 5.877 -5.945 6.882
217 HB2 LYS 30 HB2 LYS 30 4.029 -6.167 4.560
218 HB3 LYS 30 HB1 LYS 30 5.707 -5.686 4.403
219 HG2 LYS 30 HG2 LYS 30 4.686 -8.288 5.536
220 HG3 LYS 30 HG1 LYS 30 5.385 -8.063 3.933
221 HD2 LYS 30 HD2 LYS 30 7.491 -7.435 4.901
222 HD3 LYS 30 HD1 LYS 30 6.863 -7.556 6.533
223 HE2 LYS 30 HE2 LYS 30 6.374 -9.988 6.035
224 HE3 LYS 30 HE1 LYS 30 7.208 -9.773 4.501
225 HZ1 LYS 30 HZ1 LYS 30 8.775 -10.671 6.032
226 HZ2 LYS 30 HZ2 LYS 30 8.321 -9.583 7.222
227 HZ3 LYS 30 HZ3 LYS 30 9.176 -9.026 5.894
228 H SER 31 HN SER 31 6.309 -3.872 7.623
229 HA SER 31 HA SER 31 4.728 -1.726 6.652
230 HB2 SER 31 HB2 SER 31 7.302 -1.897 8.222
231 HB3 SER 31 HB1 SER 31 6.324 -0.451 7.976
232 HG SER 31 HG SER 31 5.377 -1.041 9.712
233 H PHE 32 HN PHE 32 5.043 -1.173 4.596
234 HA PHE 32 HA PHE 32 6.720 -1.831 2.682
235 HB2 PHE 32 HB2 PHE 32 5.807 0.981 3.182
236 HB3 PHE 32 HB1 PHE 32 6.511 0.423 1.677
237 HD1 PHE 32 HD1 PHE 32 5.292 -1.431 0.439
238 HD2 PHE 32 HD2 PHE 32 3.558 0.781 3.616
239 HE1 PHE 32 HE1 PHE 32 3.052 -2.115 -0.303
240 HE2 PHE 32 HE2 PHE 32 1.322 0.102 2.869
241 HZ PHE 32 HZ PHE 32 1.068 -1.305 0.874
242 H THR 33 HN THR 33 7.622 1.432 3.842
243 HA THR 33 HA THR 33 10.338 0.640 3.448
244 HB THR 33 HB THR 33 10.654 3.145 4.243
245 HG1 THR 33 HG1 THR 33 8.871 4.340 4.020
246 HG21 THR 33 HG21 THR 33 10.385 3.780 1.873
247 HG22 THR 33 HG22 THR 33 9.509 2.275 1.587
248 HG23 THR 33 HG23 THR 33 11.196 2.227 2.051
249 H ASP 34 HN ASP 34 10.015 -0.948 5.149
250 HA ASP 34 HA ASP 34 11.555 -0.183 7.432
251 HB2 ASP 34 HB2 ASP 34 9.457 0.390 8.416
252 HB3 ASP 34 HB1 ASP 34 8.687 -1.047 7.755
253 H ASP 35 HN ASP 35 9.307 -2.743 6.435
254 HA ASP 35 HA ASP 35 11.312 -4.764 7.127
255 HB2 ASP 35 HB2 ASP 35 8.756 -4.971 7.709
256 HB3 ASP 35 HB1 ASP 35 8.549 -5.308 6.022
257 H LEU 36 HN LEU 36 9.123 -4.013 4.459
258 HA LEU 36 HA LEU 36 10.253 -5.756 2.552
259 HB2 LEU 36 HB2 LEU 36 8.721 -3.200 2.062
260 HB3 LEU 36 HB1 LEU 36 8.962 -4.496 0.912
261 HG LEU 36 HG LEU 36 7.358 -4.695 3.460
262 HD11 LEU 36 HD11 LEU 36 6.305 -3.250 1.817
263 HD12 LEU 36 HD12 LEU 36 5.423 -4.769 1.977
264 HD13 LEU 36 HD13 LEU 36 6.478 -4.503 0.587
265 HD21 LEU 36 HD21 LEU 36 7.708 -6.669 1.192
266 HD22 LEU 36 HD22 LEU 36 6.620 -6.856 2.561
267 HD23 LEU 36 HD23 LEU 36 8.363 -6.833 2.818
268 H ASP 37 HN ASP 37 10.593 -2.338 3.158
269 HA ASP 37 HA ASP 37 12.164 -0.811 2.826
270 HB2 ASP 37 HB2 ASP 37 13.776 -2.722 3.478
271 HB3 ASP 37 HB1 ASP 37 14.059 -2.915 1.753
272 H VAL 38 HN VAL 38 10.876 0.044 1.378
273 HA VAL 38 HA VAL 38 10.891 -0.761 -1.391
274 HB VAL 38 HB VAL 38 9.393 1.476 0.040
275 HG11 VAL 38 HG11 VAL 38 9.631 2.014 -2.336
276 HG12 VAL 38 HG12 VAL 38 7.959 1.610 -1.937
277 HG13 VAL 38 HG13 VAL 38 8.979 0.433 -2.763
278 HG21 VAL 38 HG21 VAL 38 7.451 0.008 -0.170
279 HG22 VAL 38 HG22 VAL 38 8.735 -0.734 0.785
280 HG23 VAL 38 HG23 VAL 38 8.475 -1.237 -0.886
281 H ASP 39 HN ASP 39 10.868 2.522 -0.408
282 HA ASP 39 HA ASP 39 13.372 3.487 -0.908
283 HB2 ASP 39 HB2 ASP 39 12.886 2.585 -3.344
284 HB3 ASP 39 HB1 ASP 39 11.577 3.776 -3.291
285 H SER 40 HN SER 40 12.699 5.874 -1.960
286 HA SER 40 HA SER 40 10.722 6.715 0.018
287 HB2 SER 40 HB2 SER 40 13.133 7.489 0.163
288 HB3 SER 40 HB1 SER 40 12.818 8.426 -1.303
289 H LEU 41 HN LEU 41 11.775 7.008 -3.317
290 HA LEU 41 HA LEU 41 9.567 8.772 -3.973
291 HB2 LEU 41 HB2 LEU 41 11.658 7.491 -5.734
292 HB3 LEU 41 HB1 LEU 41 10.458 8.646 -6.275
293 HG LEU 41 HG LEU 41 12.683 9.204 -4.313
294 HD11 LEU 41 HD11 LEU 41 13.488 8.899 -6.583
295 HD12 LEU 41 HD12 LEU 41 13.597 10.593 -6.101
296 HD13 LEU 41 HD13 LEU 41 12.303 10.064 -7.175
297 HD21 LEU 41 HD21 LEU 41 10.621 11.057 -5.520
298 HD22 LEU 41 HD22 LEU 41 11.976 11.545 -4.502
299 HD23 LEU 41 HD23 LEU 41 10.689 10.542 -3.834
300 H SER 42 HN SER 42 10.586 5.466 -4.303
301 HA SER 42 HA SER 42 8.571 4.626 -6.079
302 HB2 SER 42 HB2 SER 42 10.074 2.996 -4.019
303 HB3 SER 42 HB1 SER 42 9.254 2.375 -5.455
304 HG SER 42 HG SER 42 11.571 2.663 -5.673
305 H MET 43 HN MET 43 8.697 5.234 -2.709
306 HA MET 43 HA MET 43 6.539 3.740 -1.731
307 HB2 MET 43 HB2 MET 43 8.125 4.878 -0.311
308 HB3 MET 43 HB1 MET 43 7.559 6.433 -0.903
309 HG2 MET 43 HG2 MET 43 6.658 5.787 1.297
310 HG3 MET 43 HG1 MET 43 5.432 6.127 0.061
311 HE1 MET 43 HE1 MET 43 7.404 3.189 1.876
312 HE2 MET 43 HE2 MET 43 7.693 3.174 0.142
313 HE3 MET 43 HE3 MET 43 6.769 1.862 0.870
314 H VAL 44 HN VAL 44 6.785 7.020 -3.022
315 HA VAL 44 HA VAL 44 4.084 7.654 -2.553
316 HB VAL 44 HB VAL 44 6.116 9.065 -4.302
317 HG11 VAL 44 HG11 VAL 44 3.547 10.076 -3.086
318 HG12 VAL 44 HG12 VAL 44 3.830 9.760 -4.799
319 HG13 VAL 44 HG13 VAL 44 4.717 11.046 -3.981
320 HG21 VAL 44 HG21 VAL 44 6.913 8.828 -2.003
321 HG22 VAL 44 HG22 VAL 44 5.410 9.479 -1.387
322 HG23 VAL 44 HG23 VAL 44 6.491 10.506 -2.328
323 H GLU 45 HN GLU 45 5.826 6.191 -5.194
324 HA GLU 45 HA GLU 45 3.784 6.561 -7.106
325 HB2 GLU 45 HB2 GLU 45 5.961 4.469 -6.967
326 HB3 GLU 45 HB1 GLU 45 4.987 4.842 -8.384
327 HG2 GLU 45 HG2 GLU 45 5.896 7.135 -8.361
328 HG3 GLU 45 HG1 GLU 45 6.935 6.677 -7.016
329 H VAL 46 HN VAL 46 4.589 4.081 -4.737
330 HA VAL 46 HA VAL 46 2.603 2.187 -5.345
331 HB VAL 46 HB VAL 46 3.830 2.911 -2.641
332 HG11 VAL 46 HG11 VAL 46 2.286 0.421 -3.383
333 HG12 VAL 46 HG12 VAL 46 1.726 1.708 -2.309
334 HG13 VAL 46 HG13 VAL 46 3.117 0.724 -1.853
335 HG21 VAL 46 HG21 VAL 46 5.463 2.145 -4.267
336 HG22 VAL 46 HG22 VAL 46 4.492 0.711 -4.593
337 HG23 VAL 46 HG23 VAL 46 5.233 0.933 -3.007
338 H VAL 47 HN VAL 47 2.571 4.964 -3.188
339 HA VAL 47 HA VAL 47 -0.028 4.955 -2.201
340 HB VAL 47 HB VAL 47 1.605 7.360 -3.087
341 HG11 VAL 47 HG11 VAL 47 -0.642 7.194 -1.088
342 HG12 VAL 47 HG12 VAL 47 -0.708 7.964 -2.674
343 HG13 VAL 47 HG13 VAL 47 0.339 8.621 -1.418
344 HG21 VAL 47 HG21 VAL 47 2.381 7.460 -0.765
345 HG22 VAL 47 HG22 VAL 47 2.854 5.956 -1.554
346 HG23 VAL 47 HG23 VAL 47 1.506 5.969 -0.416
347 H VAL 48 HN VAL 48 1.061 6.935 -4.950
348 HA VAL 48 HA VAL 48 -1.398 7.656 -6.001
349 HB VAL 48 HB VAL 48 1.178 7.190 -7.546
350 HG11 VAL 48 HG11 VAL 48 -0.720 7.331 -9.073
351 HG12 VAL 48 HG12 VAL 48 0.285 8.776 -9.188
352 HG13 VAL 48 HG13 VAL 48 -1.240 8.832 -8.305
353 HG21 VAL 48 HG21 VAL 48 0.058 9.686 -6.275
354 HG22 VAL 48 HG22 VAL 48 1.520 9.602 -7.258
355 HG23 VAL 48 HG23 VAL 48 1.448 8.759 -5.708
356 H ALA 49 HN ALA 49 0.427 4.688 -6.743
357 HA ALA 49 HA ALA 49 -1.360 3.834 -8.773
358 HB1 ALA 49 HB1 ALA 49 -0.205 1.706 -8.692
359 HB2 ALA 49 HB2 ALA 49 0.554 2.158 -7.165
360 HB3 ALA 49 HB3 ALA 49 0.956 3.034 -8.643
361 H ALA 50 HN ALA 50 -1.354 3.415 -5.291
362 HA ALA 50 HA ALA 50 -3.210 1.291 -5.156
363 HB1 ALA 50 HB1 ALA 50 -2.756 3.505 -3.148
364 HB2 ALA 50 HB2 ALA 50 -1.850 1.997 -3.232
365 HB3 ALA 50 HB3 ALA 50 -3.567 1.970 -2.834
366 H GLU 51 HN GLU 51 -3.587 4.744 -5.389
367 HA GLU 51 HA GLU 51 -6.348 4.979 -4.964
368 HB2 GLU 51 HB2 GLU 51 -4.657 6.633 -6.816
369 HB3 GLU 51 HB1 GLU 51 -6.111 7.125 -5.963
370 HG2 GLU 51 HG2 GLU 51 -4.914 6.885 -3.835
371 HG3 GLU 51 HG1 GLU 51 -3.453 6.467 -4.735
372 H GLU 52 HN GLU 52 -4.438 4.094 -7.663
373 HA GLU 52 HA GLU 52 -6.519 4.258 -9.655
374 HB2 GLU 52 HB2 GLU 52 -4.183 4.729 -10.145
375 HB3 GLU 52 HB1 GLU 52 -3.738 3.109 -9.659
376 HG2 GLU 52 HG2 GLU 52 -4.972 2.199 -11.536
377 HG3 GLU 52 HG1 GLU 52 -5.448 3.831 -12.018
378 H ARG 53 HN ARG 53 -4.966 1.893 -7.653
379 HA ARG 53 HA ARG 53 -5.895 -0.412 -9.047
380 HB2 ARG 53 HB2 ARG 53 -3.761 -0.248 -7.791
381 HB3 ARG 53 HB1 ARG 53 -4.675 -0.120 -6.307
382 HG2 ARG 53 HG2 ARG 53 -3.802 -2.345 -6.522
383 HG3 ARG 53 HG1 ARG 53 -5.554 -2.403 -6.699
384 HD2 ARG 53 HD2 ARG 53 -3.714 -2.229 -9.045
385 HD3 ARG 53 HD1 ARG 53 -4.106 -3.790 -8.350
386 HE ARG 53 HE ARG 53 -6.442 -2.262 -8.906
387 HH11 ARG 53 HH11 ARG 53 -4.060 -4.388 -10.486
388 HH12 ARG 53 HH12 ARG 53 -5.010 -4.582 -11.888
389 HH21 ARG 53 HH21 ARG 53 -7.709 -2.547 -10.824
390 HH22 ARG 53 HH22 ARG 53 -7.134 -3.549 -12.082
391 H PHE 54 HN PHE 54 -6.927 1.502 -6.305
392 HA PHE 54 HA PHE 54 -9.115 -0.424 -5.864
393 HB2 PHE 54 HB2 PHE 54 -7.900 1.468 -3.873
394 HB3 PHE 54 HB1 PHE 54 -9.155 0.279 -3.565
395 HD1 PHE 54 HD1 PHE 54 -8.379 -2.154 -4.574
396 HD2 PHE 54 HD2 PHE 54 -5.861 0.902 -3.038
397 HE1 PHE 54 HE1 PHE 54 -6.660 -3.833 -4.052
398 HE2 PHE 54 HE2 PHE 54 -4.157 -0.780 -2.503
399 HZ PHE 54 HZ PHE 54 -4.507 -3.092 -3.061
400 H ASP 55 HN ASP 55 -8.580 2.566 -7.159
401 HA ASP 55 HA ASP 55 -9.927 4.213 -7.909
402 HB2 ASP 55 HB2 ASP 55 -11.667 2.428 -8.223
403 HB3 ASP 55 HB1 ASP 55 -12.226 2.728 -6.594
404 H VAL 56 HN VAL 56 -9.478 3.574 -4.710
405 HA VAL 56 HA VAL 56 -10.848 5.943 -3.740
406 HB VAL 56 HB VAL 56 -11.193 3.967 -2.412
407 HG11 VAL 56 HG11 VAL 56 -8.206 3.824 -2.028
408 HG12 VAL 56 HG12 VAL 56 -9.203 2.684 -2.931
409 HG13 VAL 56 HG13 VAL 56 -9.388 2.824 -1.182
410 HG21 VAL 56 HG21 VAL 56 -10.480 4.744 -0.188
411 HG22 VAL 56 HG22 VAL 56 -11.137 6.045 -1.185
412 HG23 VAL 56 HG23 VAL 56 -9.392 5.899 -0.960
413 H LYS 57 HN LYS 57 -9.892 7.725 -3.580
414 HA LYS 57 HA LYS 57 -7.114 8.074 -4.165
415 HB2 LYS 57 HB2 LYS 57 -9.208 10.042 -3.231
416 HB3 LYS 57 HB1 LYS 57 -7.563 10.491 -3.653
417 HG2 LYS 57 HG2 LYS 57 -9.522 9.186 -5.531
418 HG3 LYS 57 HG1 LYS 57 -9.205 10.916 -5.445
419 HD2 LYS 57 HD2 LYS 57 -7.001 8.929 -5.963
420 HD3 LYS 57 HD1 LYS 57 -8.006 9.544 -7.270
421 HE2 LYS 57 HE2 LYS 57 -5.943 10.826 -7.158
422 HE3 LYS 57 HE1 LYS 57 -7.289 11.851 -6.691
423 HZ1 LYS 57 HZ1 LYS 57 -5.402 10.541 -4.802
424 HZ2 LYS 57 HZ2 LYS 57 -6.576 11.695 -4.380
425 HZ3 LYS 57 HZ3 LYS 57 -5.284 12.116 -5.354
426 H ILE 58 HN ILE 58 -5.501 8.066 -2.851
427 HA ILE 58 HA ILE 58 -5.902 8.490 0.011
428 HB ILE 58 HB ILE 58 -4.030 6.398 -1.167
429 HG12 ILE 58 HG12 ILE 58 -6.659 5.913 0.263
430 HG13 ILE 58 HG11 ILE 58 -6.412 5.730 -1.469
431 HG21 ILE 58 HG21 ILE 58 -3.800 5.663 1.173
432 HG22 ILE 58 HG22 ILE 58 -4.867 6.970 1.682
433 HG23 ILE 58 HG23 ILE 58 -3.299 7.341 0.958
434 HD11 ILE 58 HD11 ILE 58 -5.041 4.134 0.684
435 HD12 ILE 58 HD12 ILE 58 -4.808 3.942 -1.053
436 HD13 ILE 58 HD13 ILE 58 -6.376 3.589 -0.329
437 HA PRO 59 HA PRO 59 -2.736 11.204 -1.751
438 HB2 PRO 59 HB2 PRO 59 -2.923 13.114 0.128
439 HB3 PRO 59 HB1 PRO 59 -4.022 13.040 -1.261
440 HG2 PRO 59 HG2 PRO 59 -4.469 12.185 1.572
441 HG3 PRO 59 HG1 PRO 59 -5.602 12.954 0.444
442 HD2 PRO 59 HD2 PRO 59 -5.607 10.283 1.008
443 HD3 PRO 59 HD1 PRO 59 -6.165 10.957 -0.536
444 H ASP 60 HN ASP 60 -0.651 11.550 -1.187
445 HA ASP 60 HA ASP 60 0.842 10.146 0.542
446 HB2 ASP 60 HB2 ASP 60 1.869 11.494 -1.137
447 HB3 ASP 60 HB1 ASP 60 1.222 12.969 -0.443
448 H ASP 61 HN ASP 61 -0.890 13.058 1.309
449 HA ASP 61 HA ASP 61 0.148 13.558 3.878
450 HB2 ASP 61 HB2 ASP 61 -1.261 15.176 2.670
451 HB3 ASP 61 HB1 ASP 61 -2.657 14.131 2.904
452 H ASP 62 HN ASP 62 -2.748 11.620 3.007
453 HA ASP 62 HA ASP 62 -3.078 10.792 5.781
454 HB2 ASP 62 HB2 ASP 62 -4.647 10.193 3.283
455 HB3 ASP 62 HB1 ASP 62 -4.902 9.283 4.762
456 H VAL 63 HN VAL 63 -1.589 9.623 2.976
457 HA VAL 63 HA VAL 63 -1.664 6.902 3.611
458 HB VAL 63 HB VAL 63 -0.951 8.141 1.413
459 HG11 VAL 63 HG11 VAL 63 0.997 9.250 2.160
460 HG12 VAL 63 HG12 VAL 63 1.445 8.049 0.946
461 HG13 VAL 63 HG13 VAL 63 1.734 7.731 2.658
462 HG21 VAL 63 HG21 VAL 63 -1.344 5.805 1.550
463 HG22 VAL 63 HG22 VAL 63 0.264 5.540 2.245
464 HG23 VAL 63 HG23 VAL 63 0.095 6.134 0.587
465 H LYS 64 HN LYS 64 0.158 9.454 4.891
466 HA LYS 64 HA LYS 64 2.375 8.113 5.967
467 HB2 LYS 64 HB2 LYS 64 0.978 10.547 7.095
468 HB3 LYS 64 HB1 LYS 64 2.628 10.044 7.429
469 HG2 LYS 64 HG2 LYS 64 1.563 10.939 4.756
470 HG3 LYS 64 HG1 LYS 64 2.574 11.890 5.844
471 HD2 LYS 64 HD2 LYS 64 4.395 10.357 5.555
472 HD3 LYS 64 HD1 LYS 64 3.369 9.247 4.639
473 HE2 LYS 64 HE2 LYS 64 3.031 11.005 2.962
474 HE3 LYS 64 HE1 LYS 64 4.140 12.037 3.850
475 HZ1 LYS 64 HZ1 LYS 64 4.907 9.370 2.810
476 HZ2 LYS 64 HZ2 LYS 64 5.927 10.586 3.401
477 HZ3 LYS 64 HZ3 LYS 64 5.061 10.804 1.942
478 H ASN 65 HN ASN 65 -0.926 8.222 6.874
479 HA ASN 65 HA ASN 65 -0.403 7.309 9.583
480 HB2 ASN 65 HB2 ASN 65 -2.979 8.018 8.166
481 HB3 ASN 65 HB1 ASN 65 -2.879 7.496 9.842
482 HD21 ASN 65 HD21 ASN 65 -3.880 9.983 8.751
483 HD22 ASN 65 HD22 ASN 65 -2.962 11.247 9.479
484 H LEU 66 HN LEU 66 -0.333 5.887 6.743
485 HA LEU 66 HA LEU 66 -1.910 3.555 7.515
486 HB2 LEU 66 HB2 LEU 66 -0.475 4.096 4.915
487 HB3 LEU 66 HB1 LEU 66 -1.517 2.726 5.254
488 HG LEU 66 HG LEU 66 -2.333 5.612 5.010
489 HD11 LEU 66 HD11 LEU 66 -1.943 4.510 2.896
490 HD12 LEU 66 HD12 LEU 66 -3.666 4.802 3.137
491 HD13 LEU 66 HD13 LEU 66 -3.002 3.184 3.372
492 HD21 LEU 66 HD21 LEU 66 -4.624 4.827 5.384
493 HD22 LEU 66 HD22 LEU 66 -3.607 4.561 6.802
494 HD23 LEU 66 HD23 LEU 66 -4.011 3.216 5.732
495 H LYS 67 HN LYS 67 1.299 4.247 6.213
496 HA LYS 67 HA LYS 67 3.229 3.355 6.339
497 HB2 LYS 67 HB2 LYS 67 4.183 2.748 8.655
498 HB3 LYS 67 HB1 LYS 67 3.641 4.382 8.355
499 HG2 LYS 67 HG2 LYS 67 3.004 3.761 10.571
500 HG3 LYS 67 HG1 LYS 67 1.539 3.832 9.598
501 HD2 LYS 67 HD2 LYS 67 1.598 1.375 9.389
502 HD3 LYS 67 HD1 LYS 67 3.041 1.339 10.407
503 HE2 LYS 67 HE2 LYS 67 1.782 2.343 12.244
504 HE3 LYS 67 HE1 LYS 67 0.346 2.424 11.221
505 HZ1 LYS 67 HZ1 LYS 67 0.337 0.032 11.083
506 HZ2 LYS 67 HZ2 LYS 67 0.224 0.490 12.659
507 HZ3 LYS 67 HZ3 LYS 67 1.707 -0.103 12.058
508 H THR 68 HN THR 68 0.950 1.006 7.096
509 HA THR 68 HA THR 68 2.938 -0.985 6.168
510 HB THR 68 HB THR 68 1.621 -2.760 7.183
511 HG1 THR 68 HG1 THR 68 0.095 -1.183 8.855
512 HG21 THR 68 HG21 THR 68 2.361 -0.651 9.201
513 HG22 THR 68 HG22 THR 68 3.429 -1.869 8.465
514 HG23 THR 68 HG23 THR 68 2.111 -2.382 9.508
515 H VAL 69 HN VAL 69 1.764 -2.900 5.303
516 HA VAL 69 HA VAL 69 0.045 -2.273 3.132
517 HB VAL 69 HB VAL 69 -0.113 -4.869 3.110
518 HG11 VAL 69 HG11 VAL 69 2.627 -3.561 3.011
519 HG12 VAL 69 HG12 VAL 69 1.474 -3.574 1.678
520 HG13 VAL 69 HG13 VAL 69 2.193 -5.083 2.238
521 HG21 VAL 69 HG21 VAL 69 0.421 -5.173 5.425
522 HG22 VAL 69 HG22 VAL 69 2.026 -4.482 5.158
523 HG23 VAL 69 HG23 VAL 69 1.576 -6.001 4.385
524 H GLY 70 HN GLY 70 -0.318 -3.788 6.304
525 HA2 GLY 70 HA2 GLY 70 -2.999 -4.618 6.058
526 HA3 GLY 70 HA1 GLY 70 -2.113 -4.419 7.562
527 H ASP 71 HN ASP 71 -1.537 -1.710 7.425
528 HA ASP 71 HA ASP 71 -4.106 -0.689 8.169
529 HB2 ASP 71 HB2 ASP 71 -1.443 0.743 8.111
530 HB3 ASP 71 HB1 ASP 71 -2.925 1.386 8.797
531 H ALA 72 HN ALA 72 -2.012 -0.416 5.393
532 HA ALA 72 HA ALA 72 -3.332 1.730 4.137
533 HB1 ALA 72 HB1 ALA 72 -1.240 0.789 3.231
534 HB2 ALA 72 HB2 ALA 72 -2.510 0.777 2.009
535 HB3 ALA 72 HB3 ALA 72 -2.081 -0.713 2.850
536 H THR 73 HN THR 73 -3.787 -1.798 3.652
537 HA THR 73 HA THR 73 -6.186 -1.937 2.480
538 HB THR 73 HB THR 73 -5.119 -3.557 4.782
539 HG1 THR 73 HG1 THR 73 -3.642 -3.750 3.259
540 HG21 THR 73 HG21 THR 73 -7.106 -4.270 2.621
541 HG22 THR 73 HG22 THR 73 -7.493 -4.025 4.320
542 HG23 THR 73 HG23 THR 73 -6.470 -5.383 3.835
543 H LYS 74 HN LYS 74 -5.612 -1.435 5.964
544 HA LYS 74 HA LYS 74 -8.218 -1.514 6.923
545 HB2 LYS 74 HB2 LYS 74 -6.270 -1.538 8.357
546 HB3 LYS 74 HB1 LYS 74 -5.823 0.074 7.840
547 HG2 LYS 74 HG2 LYS 74 -6.739 0.122 10.059
548 HG3 LYS 74 HG1 LYS 74 -7.820 0.959 8.946
549 HD2 LYS 74 HD2 LYS 74 -9.320 -0.897 8.904
550 HD3 LYS 74 HD1 LYS 74 -8.178 -1.903 9.803
551 HE2 LYS 74 HE2 LYS 74 -9.500 0.600 10.835
552 HE3 LYS 74 HE1 LYS 74 -9.974 -1.052 11.241
553 HZ1 LYS 74 HZ1 LYS 74 -7.354 0.213 11.834
554 HZ2 LYS 74 HZ2 LYS 74 -7.744 -1.382 12.196
555 HZ3 LYS 74 HZ3 LYS 74 -8.566 -0.105 12.954
556 H TYR 75 HN TYR 75 -6.500 1.049 5.310
557 HA TYR 75 HA TYR 75 -8.432 3.099 5.867
558 HB2 TYR 75 HB2 TYR 75 -6.026 3.538 5.315
559 HB3 TYR 75 HB1 TYR 75 -6.339 2.962 3.689
560 HD1 TYR 75 HD2 TYR 75 -7.642 4.353 2.115
561 HD2 TYR 75 HD1 TYR 75 -6.767 5.694 6.050
562 HE1 TYR 75 HE2 TYR 75 -8.242 6.648 1.465
563 HE2 TYR 75 HE1 TYR 75 -7.354 7.987 5.403
564 HH TYR 75 HH TYR 75 -7.561 9.354 3.453
565 H ILE 76 HN ILE 76 -7.441 1.261 3.089
566 HA ILE 76 HA ILE 76 -9.344 2.050 1.238
567 HB ILE 76 HB ILE 76 -7.875 -0.593 1.453
568 HG12 ILE 76 HG12 ILE 76 -7.059 1.920 -0.007
569 HG13 ILE 76 HG11 ILE 76 -6.507 1.520 1.613
570 HG21 ILE 76 HG21 ILE 76 -9.705 -0.588 -0.208
571 HG22 ILE 76 HG22 ILE 76 -8.127 -0.641 -0.994
572 HG23 ILE 76 HG23 ILE 76 -9.032 0.872 -0.936
573 HD11 ILE 76 HD11 ILE 76 -6.005 -0.091 -0.873
574 HD12 ILE 76 HD12 ILE 76 -5.458 -0.496 0.751
575 HD13 ILE 76 HD13 ILE 76 -4.848 0.954 -0.048
576 H LEU 77 HN LEU 77 -9.344 -0.851 3.302
577 HA LEU 77 HA LEU 77 -11.734 -2.055 2.565
578 HB2 LEU 77 HB2 LEU 77 -10.203 -3.093 4.103
579 HB3 LEU 77 HB1 LEU 77 -10.424 -1.812 5.270
580 HG LEU 77 HG LEU 77 -12.811 -2.561 5.493
581 HD11 LEU 77 HD11 LEU 77 -11.838 -4.938 3.952
582 HD12 LEU 77 HD12 LEU 77 -13.056 -3.768 3.440
583 HD13 LEU 77 HD13 LEU 77 -13.373 -4.824 4.815
584 HD21 LEU 77 HD21 LEU 77 -10.652 -4.522 6.244
585 HD22 LEU 77 HD22 LEU 77 -12.261 -4.441 6.963
586 HD23 LEU 77 HD23 LEU 77 -11.137 -3.097 7.164
587 H ASP 78 HN ASP 78 -11.190 0.541 4.753
588 HA ASP 78 HA ASP 78 -14.007 0.654 5.574
589 HB2 ASP 78 HB2 ASP 78 -12.277 0.863 7.294
590 HB3 ASP 78 HB1 ASP 78 -11.643 2.296 6.501
591 H HIS 79 HN HIS 79 -11.832 2.351 3.548
592 HA HIS 79 HA HIS 79 -13.652 4.614 3.244
593 HB2 HIS 79 HB2 HIS 79 -10.733 4.286 2.797
594 HB3 HIS 79 HB1 HIS 79 -11.541 5.622 2.022
595 HD1 HIS 79 HD1 HIS 79 -11.949 7.681 3.513
596 HD2 HIS 79 HD2 HIS 79 -10.808 4.317 5.688
597 HE1 HIS 79 HE1 HIS 79 -11.526 8.482 5.828
598 HE2 HIS 79 HE2 HIS 79 -10.746 6.494 7.111
599 H GLN 80 HN GLN 80 -13.351 1.787 1.787
600 HA GLN 80 HA GLN 80 -13.036 1.704 -0.816
601 HB2 GLN 80 HB2 GLN 80 -15.418 0.859 0.738
602 HB3 GLN 80 HB1 GLN 80 -15.254 0.433 -0.972
603 HG2 GLN 80 HG2 GLN 80 -13.392 -0.302 1.277
604 HG3 GLN 80 HG1 GLN 80 -14.592 -1.359 0.537
605 HE21 GLN 80 HE21 GLN 80 -11.715 -1.581 0.740
606 HE22 GLN 80 HE22 GLN 80 -11.136 -1.786 -0.879
607 H ALA 81 HN ALA 81 -13.429 2.933 -2.486
608 HA ALA 81 HA ALA 81 -15.540 4.902 -2.410
609 HB1 ALA 81 HB1 ALA 81 -13.304 5.599 -3.146
610 HB2 ALA 81 HB2 ALA 81 -14.479 5.770 -4.450
611 HB3 ALA 81 HB3 ALA 81 -13.357 4.409 -4.447
612 H2 SHW 101 H2A SHW 101 2.618 6.352 3.783
613 H2A SHW 101 H2B SHW 101 3.543 5.946 2.322
614 H3 SHW 101 H3A SHW 101 3.599 4.538 5.031
615 HO3 SHW 101 HO3 SHW 101 4.821 3.818 2.558
616 H4 SHW 101 H4A SHW 101 1.490 4.178 3.875
617 H4A SHW 101 H4B SHW 101 2.447 2.705 3.856
618 H5 SHW 101 H5A SHW 101 3.083 3.106 1.552
619 H5A SHW 101 H5B SHW 101 2.195 4.632 1.555
620 H6 SHW 101 H6A SHW 101 0.117 3.400 2.016
621 H6A SHW 101 H6B SHW 101 1.020 1.885 1.933
622 H7 SHW 101 H7A SHW 101 1.597 2.320 -0.388
623 H7A SHW 101 H7B SHW 101 0.764 3.886 -0.314
624 H8 SHW 101 H8C SHW 101 -0.491 1.168 0.090
625 H8A SHW 101 H8A SHW 101 -0.631 2.165 -1.357
626 H8B SHW 101 H8B SHW 101 -1.332 2.718 0.163
627 H28 SHW 101 H28A SHW 101 11.095 11.765 -1.423
628 H28A SHW 101 H28B SHW 101 10.062 10.519 -0.711
629 H30 SHW 101 H30A SHW 101 10.833 13.852 0.591
630 H30A SHW 101 H30B SHW 101 9.380 14.628 -0.039
631 H30B SHW 101 H30C SHW 101 10.632 14.063 -1.147
632 H31 SHW 101 H31A SHW 101 7.687 13.253 -1.301
633 H31A SHW 101 H31B SHW 101 8.003 11.541 -1.567
634 H31B SHW 101 H31C SHW 101 8.986 12.758 -2.386
635 H32 SHW 101 H32A SHW 101 9.346 12.199 1.882
636 HO33 SHW 101 H33A SHW 101 6.846 12.702 0.995
637 HN36 SHW 101 H36A SHW 101 9.570 9.892 1.409
638 H37 SHW 101 H37A SHW 101 7.081 8.407 1.800
639 H37A SHW 101 H37B SHW 101 7.738 8.235 0.210
640 H38 SHW 101 H38A SHW 101 8.549 6.398 1.150
641 H38A SHW 101 H38B SHW 101 9.970 7.478 1.321
642 HN41 SHW 101 H41A SHW 101 7.165 7.802 3.359
643 H42 SHW 101 H42A SHW 101 7.665 5.883 5.345
644 H42A SHW 101 H42B SHW 101 8.513 7.368 5.691
645 H43 SHW 101 H43A SHW 101 6.319 8.625 5.396
646 H43A SHW 101 H43B SHW 101 6.643 7.708 6.848
Start of MODEL 6
1 H1 ALA 1 HT1 ALA 1 -17.136 -0.729 1.084
2 H2 ALA 1 HT2 ALA 1 -17.648 -2.263 0.585
3 H3 ALA 1 HT3 ALA 1 -16.572 -1.423 -0.374
4 HA ALA 1 HA ALA 1 -14.937 -1.608 1.455
5 HB1 ALA 1 HB1 ALA 1 -16.555 -2.000 3.263
6 HB2 ALA 1 HB2 ALA 1 -15.397 -3.324 3.154
7 HB3 ALA 1 HB3 ALA 1 -17.027 -3.525 2.510
8 H ALA 2 HN ALA 2 -13.567 -3.710 1.482
9 HA ALA 2 HA ALA 2 -14.263 -5.431 -0.717
10 HB1 ALA 2 HB1 ALA 2 -12.948 -3.619 -1.719
11 HB2 ALA 2 HB2 ALA 2 -12.017 -5.117 -1.682
12 HB3 ALA 2 HB3 ALA 2 -11.694 -3.846 -0.499
13 H THR 3 HN THR 3 -12.381 -7.154 -0.755
14 HA THR 3 HA THR 3 -12.365 -8.197 1.925
15 HB THR 3 HB THR 3 -11.228 -9.358 -0.625
16 HG1 THR 3 HG1 THR 3 -13.912 -9.031 0.262
17 HG21 THR 3 HG21 THR 3 -10.729 -10.478 1.467
18 HG22 THR 3 HG22 THR 3 -11.846 -11.455 0.489
19 HG23 THR 3 HG23 THR 3 -12.446 -10.500 1.858
20 H GLN 4 HN GLN 4 -10.565 -7.968 3.207
21 HA GLN 4 HA GLN 4 -8.548 -6.162 2.640
22 HB2 GLN 4 HB2 GLN 4 -8.454 -8.416 4.614
23 HB3 GLN 4 HB1 GLN 4 -7.297 -7.100 4.540
24 HG2 GLN 4 HG2 GLN 4 -9.235 -5.547 4.862
25 HG3 GLN 4 HG1 GLN 4 -10.201 -6.972 5.242
26 HE21 GLN 4 HE21 GLN 4 -7.881 -8.310 6.479
27 HE22 GLN 4 HE22 GLN 4 -7.628 -7.527 7.998
28 H GLU 5 HN GLU 5 -8.503 -9.562 2.241
29 HA GLU 5 HA GLU 5 -5.729 -9.831 1.733
30 HB2 GLU 5 HB2 GLU 5 -7.832 -11.683 0.619
31 HB3 GLU 5 HB1 GLU 5 -6.161 -12.058 1.004
32 HG2 GLU 5 HG2 GLU 5 -7.272 -13.035 2.762
33 HG3 GLU 5 HG1 GLU 5 -6.897 -11.451 3.442
34 H GLU 6 HN GLU 6 -8.408 -8.992 -0.241
35 HA GLU 6 HA GLU 6 -7.070 -9.359 -2.741
36 HB2 GLU 6 HB2 GLU 6 -9.561 -9.488 -2.414
37 HB3 GLU 6 HB1 GLU 6 -9.559 -7.762 -2.108
38 HG2 GLU 6 HG2 GLU 6 -10.281 -8.146 -4.351
39 HG3 GLU 6 HG1 GLU 6 -8.675 -7.417 -4.406
40 H ILE 7 HN ILE 7 -7.604 -6.883 -0.397
41 HA ILE 7 HA ILE 7 -6.751 -4.666 -1.968
42 HB ILE 7 HB ILE 7 -6.798 -4.944 1.035
43 HG12 ILE 7 HG12 ILE 7 -9.081 -4.346 -0.877
44 HG13 ILE 7 HG11 ILE 7 -8.926 -5.611 0.287
45 HG21 ILE 7 HG21 ILE 7 -5.638 -2.954 0.193
46 HG22 ILE 7 HG22 ILE 7 -7.148 -2.489 0.974
47 HG23 ILE 7 HG23 ILE 7 -7.043 -2.533 -0.789
48 HD11 ILE 7 HD11 ILE 7 -9.171 -2.720 1.047
49 HD12 ILE 7 HD12 ILE 7 -9.135 -4.107 2.136
50 HD13 ILE 7 HD13 ILE 7 -10.488 -3.891 1.029
51 H VAL 8 HN VAL 8 -5.332 -6.564 0.665
52 HA VAL 8 HA VAL 8 -2.773 -5.510 0.599
53 HB VAL 8 HB VAL 8 -3.766 -8.261 1.416
54 HG11 VAL 8 HG11 VAL 8 -1.434 -8.425 0.843
55 HG12 VAL 8 HG12 VAL 8 -1.656 -8.564 2.591
56 HG13 VAL 8 HG13 VAL 8 -1.040 -7.055 1.889
57 HG21 VAL 8 HG21 VAL 8 -2.980 -5.825 3.020
58 HG22 VAL 8 HG22 VAL 8 -3.560 -7.353 3.686
59 HG23 VAL 8 HG23 VAL 8 -4.619 -6.352 2.699
60 H ALA 9 HN ALA 9 -4.140 -8.188 -1.297
61 HA ALA 9 HA ALA 9 -1.800 -8.883 -2.709
62 HB1 ALA 9 HB1 ALA 9 -3.812 -10.286 -2.700
63 HB2 ALA 9 HB2 ALA 9 -3.304 -9.886 -4.348
64 HB3 ALA 9 HB3 ALA 9 -4.669 -9.045 -3.620
65 H GLY 10 HN GLY 10 -4.266 -6.460 -3.233
66 HA2 GLY 10 HA2 GLY 10 -3.461 -5.593 -5.799
67 HA3 GLY 10 HA1 GLY 10 -4.399 -4.662 -4.625
68 H LEU 11 HN LEU 11 -2.645 -4.607 -2.543
69 HA LEU 11 HA LEU 11 -0.858 -2.556 -3.262
70 HB2 LEU 11 HB2 LEU 11 -0.942 -4.320 -0.822
71 HB3 LEU 11 HB1 LEU 11 0.064 -2.899 -0.990
72 HG LEU 11 HG LEU 11 -2.954 -2.879 -1.041
73 HD11 LEU 11 HD11 LEU 11 -1.026 -2.104 1.136
74 HD12 LEU 11 HD12 LEU 11 -2.097 -3.503 1.146
75 HD13 LEU 11 HD13 LEU 11 -2.773 -1.873 1.175
76 HD21 LEU 11 HD21 LEU 11 -2.694 -0.453 -0.835
77 HD22 LEU 11 HD22 LEU 11 -1.947 -1.053 -2.315
78 HD23 LEU 11 HD23 LEU 11 -0.940 -0.633 -0.927
79 H ALA 12 HN ALA 12 -0.408 -5.985 -2.585
80 HA ALA 12 HA ALA 12 2.346 -6.168 -2.752
81 HB1 ALA 12 HB1 ALA 12 0.862 -7.960 -1.928
82 HB2 ALA 12 HB2 ALA 12 2.012 -8.569 -3.096
83 HB3 ALA 12 HB3 ALA 12 0.339 -8.276 -3.575
84 H GLU 13 HN GLU 13 -0.032 -6.406 -5.367
85 HA GLU 13 HA GLU 13 1.928 -6.936 -7.363
86 HB2 GLU 13 HB2 GLU 13 0.246 -6.329 -9.083
87 HB3 GLU 13 HB1 GLU 13 -0.377 -7.481 -7.913
88 HG2 GLU 13 HG2 GLU 13 -1.672 -5.821 -6.852
89 HG3 GLU 13 HG1 GLU 13 -0.873 -4.529 -7.736
90 H ILE 14 HN ILE 14 0.701 -4.001 -6.147
91 HA ILE 14 HA ILE 14 1.919 -2.213 -7.967
92 HB ILE 14 HB ILE 14 0.996 -1.951 -5.102
93 HG12 ILE 14 HG12 ILE 14 -0.252 -0.934 -7.646
94 HG13 ILE 14 HG11 ILE 14 -0.649 -2.480 -6.905
95 HG21 ILE 14 HG21 ILE 14 1.821 0.236 -6.997
96 HG22 ILE 14 HG22 ILE 14 2.685 -0.257 -5.541
97 HG23 ILE 14 HG23 ILE 14 1.077 0.468 -5.412
98 HD11 ILE 14 HD11 ILE 14 -0.990 0.216 -5.630
99 HD12 ILE 14 HD12 ILE 14 -1.371 -1.373 -4.929
100 HD13 ILE 14 HD13 ILE 14 -2.263 -0.802 -6.340
101 H VAL 15 HN VAL 15 2.827 -3.405 -4.768
102 HA VAL 15 HA VAL 15 5.300 -2.148 -4.519
103 HB VAL 15 HB VAL 15 4.398 -4.806 -3.374
104 HG11 VAL 15 HG11 VAL 15 6.835 -4.630 -3.295
105 HG12 VAL 15 HG12 VAL 15 6.141 -4.498 -1.680
106 HG13 VAL 15 HG13 VAL 15 6.701 -3.051 -2.521
107 HG21 VAL 15 HG21 VAL 15 4.420 -2.041 -2.193
108 HG22 VAL 15 HG22 VAL 15 3.953 -3.518 -1.350
109 HG23 VAL 15 HG23 VAL 15 2.997 -2.943 -2.717
110 H ASN 16 HN ASN 16 4.506 -5.276 -5.992
111 HA ASN 16 HA ASN 16 7.185 -6.002 -6.475
112 HB2 ASN 16 HB2 ASN 16 5.268 -7.578 -6.544
113 HB3 ASN 16 HB1 ASN 16 4.788 -6.872 -8.081
114 HD21 ASN 16 HD21 ASN 16 7.316 -8.576 -6.447
115 HD22 ASN 16 HD22 ASN 16 8.073 -9.288 -7.819
116 H GLU 17 HN GLU 17 4.985 -4.062 -8.261
117 HA GLU 17 HA GLU 17 6.527 -3.939 -10.679
118 HB2 GLU 17 HB2 GLU 17 3.982 -3.477 -10.240
119 HB3 GLU 17 HB1 GLU 17 4.526 -1.878 -9.787
120 HG2 GLU 17 HG2 GLU 17 4.770 -3.197 -12.482
121 HG3 GLU 17 HG1 GLU 17 3.748 -1.838 -12.042
122 H ILE 18 HN ILE 18 5.824 -1.674 -8.060
123 HA ILE 18 HA ILE 18 7.641 0.305 -9.066
124 HB ILE 18 HB ILE 18 5.939 0.299 -6.540
125 HG12 ILE 18 HG12 ILE 18 5.528 1.725 -9.129
126 HG13 ILE 18 HG11 ILE 18 4.789 0.139 -8.833
127 HG21 ILE 18 HG21 ILE 18 6.300 2.689 -6.572
128 HG22 ILE 18 HG22 ILE 18 7.382 2.518 -7.958
129 HG23 ILE 18 HG23 ILE 18 7.819 1.810 -6.399
130 HD11 ILE 18 HD11 ILE 18 4.339 2.728 -7.370
131 HD12 ILE 18 HD12 ILE 18 3.608 1.184 -6.931
132 HD13 ILE 18 HD13 ILE 18 3.227 1.932 -8.482
133 H ALA 19 HN ALA 19 7.546 -1.609 -6.049
134 HA ALA 19 HA ALA 19 10.085 -0.539 -5.144
135 HB1 ALA 19 HB1 ALA 19 8.336 -1.087 -3.544
136 HB2 ALA 19 HB2 ALA 19 9.782 -2.067 -3.271
137 HB3 ALA 19 HB3 ALA 19 8.378 -2.771 -4.069
138 H GLY 20 HN GLY 20 8.810 -3.448 -6.588
139 HA2 GLY 20 HA2 GLY 20 9.991 -5.080 -7.790
140 HA3 GLY 20 HA1 GLY 20 11.502 -4.394 -7.196
141 H ILE 21 HN ILE 21 8.788 -5.173 -5.184
142 HA ILE 21 HA ILE 21 10.417 -7.212 -3.843
143 HB ILE 21 HB ILE 21 8.259 -5.389 -2.748
144 HG12 ILE 21 HG12 ILE 21 10.380 -4.268 -3.020
145 HG13 ILE 21 HG11 ILE 21 10.060 -4.510 -1.309
146 HG21 ILE 21 HG21 ILE 21 8.663 -6.366 -0.536
147 HG22 ILE 21 HG22 ILE 21 9.736 -7.560 -1.264
148 HG23 ILE 21 HG23 ILE 21 8.021 -7.551 -1.676
149 HD11 ILE 21 HD11 ILE 21 11.916 -6.154 -3.019
150 HD12 ILE 21 HD12 ILE 21 11.593 -6.420 -1.305
151 HD13 ILE 21 HD13 ILE 21 12.390 -4.936 -1.833
152 HA PRO 22 HA PRO 22 7.709 -10.583 -5.095
153 HB2 PRO 22 HB2 PRO 22 7.819 -11.375 -2.316
154 HB3 PRO 22 HB1 PRO 22 8.531 -12.159 -3.726
155 HG2 PRO 22 HG2 PRO 22 9.765 -10.319 -1.795
156 HG3 PRO 22 HG1 PRO 22 10.535 -11.448 -2.926
157 HD2 PRO 22 HD2 PRO 22 10.680 -8.790 -3.312
158 HD3 PRO 22 HD1 PRO 22 10.470 -9.937 -4.667
159 H VAL 23 HN VAL 23 5.664 -10.574 -5.310
160 HA VAL 23 HA VAL 23 3.776 -8.997 -3.934
161 HB VAL 23 HB VAL 23 3.445 -11.516 -5.629
162 HG11 VAL 23 HG11 VAL 23 1.106 -10.903 -5.958
163 HG12 VAL 23 HG12 VAL 23 1.290 -9.570 -4.821
164 HG13 VAL 23 HG13 VAL 23 1.446 -11.234 -4.260
165 HG21 VAL 23 HG21 VAL 23 4.432 -9.674 -6.842
166 HG22 VAL 23 HG22 VAL 23 3.120 -8.612 -6.334
167 HG23 VAL 23 HG23 VAL 23 2.788 -9.972 -7.407
168 H GLU 24 HN GLU 24 5.206 -11.993 -3.378
169 HA GLU 24 HA GLU 24 3.243 -12.831 -1.558
170 HB2 GLU 24 HB2 GLU 24 4.663 -14.873 -1.228
171 HB3 GLU 24 HB1 GLU 24 4.177 -14.558 -2.890
172 HG2 GLU 24 HG2 GLU 24 6.359 -13.600 -3.366
173 HG3 GLU 24 HG1 GLU 24 6.847 -13.858 -1.693
174 H ASP 25 HN ASP 25 6.154 -11.005 -1.296
175 HA ASP 25 HA ASP 25 6.747 -11.834 1.442
176 HB2 ASP 25 HB2 ASP 25 8.596 -11.155 -0.135
177 HB3 ASP 25 HB1 ASP 25 7.955 -9.518 -0.116
178 H VAL 26 HN VAL 26 4.789 -9.852 -0.160
179 HA VAL 26 HA VAL 26 4.428 -7.735 1.752
180 HB VAL 26 HB VAL 26 2.987 -8.479 -0.826
181 HG11 VAL 26 HG11 VAL 26 1.391 -7.439 0.731
182 HG12 VAL 26 HG12 VAL 26 1.757 -6.439 -0.671
183 HG13 VAL 26 HG13 VAL 26 2.482 -6.047 0.902
184 HG21 VAL 26 HG21 VAL 26 3.991 -6.421 -1.646
185 HG22 VAL 26 HG22 VAL 26 5.232 -7.530 -1.041
186 HG23 VAL 26 HG23 VAL 26 4.718 -6.149 -0.066
187 H LYS 27 HN LYS 27 4.205 -9.340 3.432
188 HA LYS 27 HA LYS 27 1.664 -10.662 3.846
189 HB2 LYS 27 HB2 LYS 27 4.019 -10.054 5.621
190 HB3 LYS 27 HB1 LYS 27 2.718 -11.174 5.946
191 HG2 LYS 27 HG2 LYS 27 4.668 -11.482 3.689
192 HG3 LYS 27 HG1 LYS 27 4.902 -12.237 5.279
193 HD2 LYS 27 HD2 LYS 27 2.550 -13.240 4.827
194 HD3 LYS 27 HD1 LYS 27 2.857 -12.780 3.152
195 HE2 LYS 27 HE2 LYS 27 4.536 -14.622 4.856
196 HE3 LYS 27 HE1 LYS 27 3.509 -15.087 3.507
197 HZ1 LYS 27 HZ1 LYS 27 5.812 -15.021 2.837
198 HZ2 LYS 27 HZ2 LYS 27 5.991 -13.429 3.324
199 HZ3 LYS 27 HZ3 LYS 27 4.981 -13.801 2.030
200 H LEU 28 HN LEU 28 0.465 -10.040 5.779
201 HA LEU 28 HA LEU 28 -0.191 -7.253 5.395
202 HB2 LEU 28 HB2 LEU 28 -1.829 -9.173 5.569
203 HB3 LEU 28 HB1 LEU 28 -1.453 -9.220 7.276
204 HG LEU 28 HG LEU 28 -2.394 -6.687 6.086
205 HD11 LEU 28 HD11 LEU 28 -4.126 -9.037 6.844
206 HD12 LEU 28 HD12 LEU 28 -3.887 -8.380 5.214
207 HD13 LEU 28 HD13 LEU 28 -4.729 -7.417 6.443
208 HD21 LEU 28 HD21 LEU 28 -3.504 -6.439 8.286
209 HD22 LEU 28 HD22 LEU 28 -1.772 -6.719 8.452
210 HD23 LEU 28 HD23 LEU 28 -2.909 -8.036 8.750
211 H ASP 29 HN ASP 29 1.916 -8.675 7.355
212 HA ASP 29 HA ASP 29 1.535 -6.789 9.558
213 HB2 ASP 29 HB2 ASP 29 2.918 -8.135 10.790
214 HB3 ASP 29 HB1 ASP 29 1.967 -9.291 9.873
215 H LYS 30 HN LYS 30 2.878 -6.774 6.644
216 HA LYS 30 HA LYS 30 5.559 -5.939 7.375
217 HB2 LYS 30 HB2 LYS 30 4.267 -6.494 4.731
218 HB3 LYS 30 HB1 LYS 30 5.916 -5.923 4.908
219 HG2 LYS 30 HG2 LYS 30 4.879 -8.470 6.142
220 HG3 LYS 30 HG1 LYS 30 5.669 -8.390 4.567
221 HD2 LYS 30 HD2 LYS 30 7.684 -7.499 5.617
222 HD3 LYS 30 HD1 LYS 30 6.886 -7.533 7.189
223 HE2 LYS 30 HE2 LYS 30 7.255 -9.986 5.489
224 HE3 LYS 30 HE1 LYS 30 8.450 -9.455 6.670
225 HZ1 LYS 30 HZ1 LYS 30 6.953 -9.806 8.418
226 HZ2 LYS 30 HZ2 LYS 30 6.785 -11.177 7.439
227 HZ3 LYS 30 HZ3 LYS 30 5.613 -9.977 7.430
228 H SER 31 HN SER 31 6.143 -3.901 7.593
229 HA SER 31 HA SER 31 4.467 -1.795 6.615
230 HB2 SER 31 HB2 SER 31 7.129 -1.643 8.000
231 HB3 SER 31 HB1 SER 31 5.784 -0.499 8.019
232 HG SER 31 HG SER 31 6.072 -2.950 9.293
233 H PHE 32 HN PHE 32 4.815 -1.407 4.500
234 HA PHE 32 HA PHE 32 6.520 -2.056 2.646
235 HB2 PHE 32 HB2 PHE 32 5.815 0.867 2.925
236 HB3 PHE 32 HB1 PHE 32 6.340 0.005 1.495
237 HD1 PHE 32 HD1 PHE 32 4.934 -1.525 0.307
238 HD2 PHE 32 HD2 PHE 32 3.546 0.544 3.738
239 HE1 PHE 32 HE1 PHE 32 2.633 -2.137 -0.264
240 HE2 PHE 32 HE2 PHE 32 1.245 -0.045 3.177
241 HZ PHE 32 HZ PHE 32 0.788 -1.362 1.096
242 H THR 33 HN THR 33 7.547 1.204 3.753
243 HA THR 33 HA THR 33 10.222 0.303 3.208
244 HB THR 33 HB THR 33 10.652 2.831 3.951
245 HG1 THR 33 HG1 THR 33 8.362 3.094 4.456
246 HG21 THR 33 HG21 THR 33 10.427 3.391 1.560
247 HG22 THR 33 HG22 THR 33 9.517 1.907 1.301
248 HG23 THR 33 HG23 THR 33 11.201 1.829 1.787
249 H ASP 34 HN ASP 34 9.954 -1.196 5.053
250 HA ASP 34 HA ASP 34 11.793 -0.427 7.092
251 HB2 ASP 34 HB2 ASP 34 9.603 0.568 7.991
252 HB3 ASP 34 HB1 ASP 34 8.995 -1.075 8.036
253 H ASP 35 HN ASP 35 9.082 -2.533 6.402
254 HA ASP 35 HA ASP 35 10.593 -4.893 7.192
255 HB2 ASP 35 HB2 ASP 35 7.692 -4.416 6.543
256 HB3 ASP 35 HB1 ASP 35 8.303 -6.037 6.688
257 H LEU 36 HN LEU 36 8.653 -3.791 4.435
258 HA LEU 36 HA LEU 36 9.449 -5.971 2.758
259 HB2 LEU 36 HB2 LEU 36 8.109 -3.360 2.088
260 HB3 LEU 36 HB1 LEU 36 8.332 -4.682 0.958
261 HG LEU 36 HG LEU 36 6.703 -4.843 3.490
262 HD11 LEU 36 HD11 LEU 36 5.688 -3.342 1.846
263 HD12 LEU 36 HD12 LEU 36 4.778 -4.846 1.992
264 HD13 LEU 36 HD13 LEU 36 5.844 -4.591 0.611
265 HD21 LEU 36 HD21 LEU 36 7.676 -6.960 2.800
266 HD22 LEU 36 HD22 LEU 36 7.028 -6.733 1.174
267 HD23 LEU 36 HD23 LEU 36 5.932 -6.947 2.540
268 H ASP 37 HN ASP 37 10.320 -2.596 2.972
269 HA ASP 37 HA ASP 37 12.003 -1.355 2.289
270 HB2 ASP 37 HB2 ASP 37 13.699 -3.002 2.833
271 HB3 ASP 37 HB1 ASP 37 13.339 -3.921 1.372
272 H VAL 38 HN VAL 38 10.939 -0.207 1.020
273 HA VAL 38 HA VAL 38 10.422 -1.118 -1.711
274 HB VAL 38 HB VAL 38 9.230 1.218 -0.147
275 HG11 VAL 38 HG11 VAL 38 8.515 0.304 -2.946
276 HG12 VAL 38 HG12 VAL 38 9.337 1.805 -2.530
277 HG13 VAL 38 HG13 VAL 38 7.672 1.542 -2.011
278 HG21 VAL 38 HG21 VAL 38 8.054 -1.401 -1.053
279 HG22 VAL 38 HG22 VAL 38 7.147 -0.085 -0.317
280 HG23 VAL 38 HG23 VAL 38 8.404 -0.913 0.608
281 H ASP 39 HN ASP 39 10.762 2.142 -0.724
282 HA ASP 39 HA ASP 39 13.335 2.809 -1.452
283 HB2 ASP 39 HB2 ASP 39 12.323 2.130 -3.839
284 HB3 ASP 39 HB1 ASP 39 11.339 3.571 -3.523
285 H SER 40 HN SER 40 12.973 5.285 -2.144
286 HA SER 40 HA SER 40 11.248 6.209 0.025
287 HB2 SER 40 HB2 SER 40 13.783 6.643 0.022
288 HB3 SER 40 HB1 SER 40 13.458 7.812 -1.263
289 H LEU 41 HN LEU 41 12.023 6.555 -3.333
290 HA LEU 41 HA LEU 41 10.141 8.756 -3.763
291 HB2 LEU 41 HB2 LEU 41 11.782 7.162 -5.725
292 HB3 LEU 41 HB1 LEU 41 10.835 8.584 -6.106
293 HG LEU 41 HG LEU 41 13.246 8.514 -4.307
294 HD11 LEU 41 HD11 LEU 41 12.881 9.546 -7.110
295 HD12 LEU 41 HD12 LEU 41 13.806 8.121 -6.630
296 HD13 LEU 41 HD13 LEU 41 14.332 9.726 -6.124
297 HD21 LEU 41 HD21 LEU 41 11.594 10.833 -5.315
298 HD22 LEU 41 HD22 LEU 41 13.083 10.959 -4.376
299 HD23 LEU 41 HD23 LEU 41 11.644 10.241 -3.655
300 H SER 42 HN SER 42 10.574 5.399 -4.356
301 HA SER 42 HA SER 42 8.345 4.995 -6.036
302 HB2 SER 42 HB2 SER 42 9.998 3.064 -4.416
303 HB3 SER 42 HB1 SER 42 8.896 2.623 -5.722
304 HG SER 42 HG SER 42 10.126 3.909 -7.109
305 H MET 43 HN MET 43 8.688 5.428 -2.725
306 HA MET 43 HA MET 43 6.637 3.857 -1.642
307 HB2 MET 43 HB2 MET 43 8.274 4.908 -0.252
308 HB3 MET 43 HB1 MET 43 7.785 6.505 -0.799
309 HG2 MET 43 HG2 MET 43 7.006 5.814 1.467
310 HG3 MET 43 HG1 MET 43 5.761 6.392 0.345
311 HE1 MET 43 HE1 MET 43 7.489 3.003 0.007
312 HE2 MET 43 HE2 MET 43 6.439 1.896 0.890
313 HE3 MET 43 HE3 MET 43 7.448 3.056 1.776
314 H VAL 44 HN VAL 44 6.657 7.162 -2.909
315 HA VAL 44 HA VAL 44 3.930 7.571 -2.322
316 HB VAL 44 HB VAL 44 5.789 9.218 -4.072
317 HG11 VAL 44 HG11 VAL 44 3.437 9.738 -4.515
318 HG12 VAL 44 HG12 VAL 44 4.228 11.069 -3.671
319 HG13 VAL 44 HG13 VAL 44 3.159 9.979 -2.791
320 HG21 VAL 44 HG21 VAL 44 6.646 8.993 -1.809
321 HG22 VAL 44 HG22 VAL 44 5.095 9.475 -1.143
322 HG23 VAL 44 HG23 VAL 44 6.051 10.635 -2.062
323 H GLU 45 HN GLU 45 5.646 6.119 -4.955
324 HA GLU 45 HA GLU 45 3.665 6.469 -6.936
325 HB2 GLU 45 HB2 GLU 45 5.794 4.349 -6.603
326 HB3 GLU 45 HB1 GLU 45 4.863 4.638 -8.064
327 HG2 GLU 45 HG2 GLU 45 6.769 6.580 -6.791
328 HG3 GLU 45 HG1 GLU 45 7.111 5.567 -8.193
329 H VAL 46 HN VAL 46 4.367 4.138 -4.402
330 HA VAL 46 HA VAL 46 2.450 2.177 -5.048
331 HB VAL 46 HB VAL 46 3.537 2.961 -2.304
332 HG11 VAL 46 HG11 VAL 46 2.918 0.706 -1.591
333 HG12 VAL 46 HG12 VAL 46 2.185 0.401 -3.166
334 HG13 VAL 46 HG13 VAL 46 1.502 1.628 -2.095
335 HG21 VAL 46 HG21 VAL 46 5.305 2.328 -3.846
336 HG22 VAL 46 HG22 VAL 46 4.457 0.829 -4.229
337 HG23 VAL 46 HG23 VAL 46 5.097 1.095 -2.604
338 H VAL 47 HN VAL 47 2.356 5.000 -2.960
339 HA VAL 47 HA VAL 47 -0.262 4.959 -1.996
340 HB VAL 47 HB VAL 47 1.289 7.402 -2.914
341 HG11 VAL 47 HG11 VAL 47 -1.043 7.886 -2.422
342 HG12 VAL 47 HG12 VAL 47 0.012 8.602 -1.206
343 HG13 VAL 47 HG13 VAL 47 -0.881 7.129 -0.841
344 HG21 VAL 47 HG21 VAL 47 2.657 6.049 -1.426
345 HG22 VAL 47 HG22 VAL 47 1.351 6.002 -0.240
346 HG23 VAL 47 HG23 VAL 47 2.146 7.530 -0.616
347 H VAL 48 HN VAL 48 0.877 6.928 -4.720
348 HA VAL 48 HA VAL 48 -1.408 7.667 -6.010
349 HB VAL 48 HB VAL 48 1.167 6.732 -7.317
350 HG11 VAL 48 HG11 VAL 48 0.508 8.084 -9.251
351 HG12 VAL 48 HG12 VAL 48 -1.045 8.419 -8.487
352 HG13 VAL 48 HG13 VAL 48 -0.633 6.771 -8.963
353 HG21 VAL 48 HG21 VAL 48 1.476 8.562 -5.744
354 HG22 VAL 48 HG22 VAL 48 0.205 9.486 -6.548
355 HG23 VAL 48 HG23 VAL 48 1.707 9.120 -7.400
356 H ALA 49 HN ALA 49 0.320 4.611 -6.739
357 HA ALA 49 HA ALA 49 -1.537 3.698 -8.633
358 HB1 ALA 49 HB1 ALA 49 -0.402 1.563 -8.513
359 HB2 ALA 49 HB2 ALA 49 0.374 2.042 -7.000
360 HB3 ALA 49 HB3 ALA 49 0.770 2.882 -8.500
361 H ALA 50 HN ALA 50 -1.404 3.217 -5.135
362 HA ALA 50 HA ALA 50 -3.342 1.190 -4.941
363 HB1 ALA 50 HB1 ALA 50 -2.752 3.382 -2.947
364 HB2 ALA 50 HB2 ALA 50 -1.888 1.849 -3.070
365 HB3 ALA 50 HB3 ALA 50 -3.591 1.866 -2.615
366 H GLU 51 HN GLU 51 -3.644 4.698 -5.157
367 HA GLU 51 HA GLU 51 -6.361 4.936 -4.616
368 HB2 GLU 51 HB2 GLU 51 -4.750 6.561 -6.578
369 HB3 GLU 51 HB1 GLU 51 -6.263 7.020 -5.815
370 HG2 GLU 51 HG2 GLU 51 -5.124 7.007 -3.632
371 HG3 GLU 51 HG1 GLU 51 -3.609 6.648 -4.466
372 H GLU 52 HN GLU 52 -4.655 4.292 -7.619
373 HA GLU 52 HA GLU 52 -7.035 4.284 -9.210
374 HB2 GLU 52 HB2 GLU 52 -4.894 4.825 -10.221
375 HB3 GLU 52 HB1 GLU 52 -4.273 3.238 -9.786
376 HG2 GLU 52 HG2 GLU 52 -5.990 2.213 -11.236
377 HG3 GLU 52 HG1 GLU 52 -6.499 3.822 -11.732
378 H ARG 53 HN ARG 53 -5.136 1.845 -7.534
379 HA ARG 53 HA ARG 53 -5.987 -0.379 -9.046
380 HB2 ARG 53 HB2 ARG 53 -3.913 -0.345 -7.687
381 HB3 ARG 53 HB1 ARG 53 -4.895 -0.336 -6.230
382 HG2 ARG 53 HG2 ARG 53 -4.219 -2.569 -6.489
383 HG3 ARG 53 HG1 ARG 53 -5.885 -2.535 -7.061
384 HD2 ARG 53 HD2 ARG 53 -3.381 -2.549 -8.743
385 HD3 ARG 53 HD1 ARG 53 -4.515 -3.877 -8.549
386 HE ARG 53 HE ARG 53 -6.070 -1.940 -9.587
387 HH11 ARG 53 HH11 ARG 53 -3.054 -3.446 -10.667
388 HH12 ARG 53 HH12 ARG 53 -3.211 -2.875 -12.273
389 HH21 ARG 53 HH21 ARG 53 -6.275 -1.205 -11.744
390 HH22 ARG 53 HH22 ARG 53 -5.074 -1.593 -12.913
391 H PHE 54 HN PHE 54 -7.175 1.185 -6.206
392 HA PHE 54 HA PHE 54 -9.222 -0.905 -5.963
393 HB2 PHE 54 HB2 PHE 54 -8.259 1.089 -3.925
394 HB3 PHE 54 HB1 PHE 54 -9.406 -0.215 -3.663
395 HD1 PHE 54 HD1 PHE 54 -8.377 -2.591 -4.603
396 HD2 PHE 54 HD2 PHE 54 -6.177 0.709 -3.051
397 HE1 PHE 54 HE1 PHE 54 -6.521 -4.098 -4.026
398 HE2 PHE 54 HE2 PHE 54 -4.340 -0.807 -2.460
399 HZ PHE 54 HZ PHE 54 -4.484 -3.179 -3.006
400 H ASP 55 HN ASP 55 -8.803 1.946 -7.316
401 HA ASP 55 HA ASP 55 -9.835 3.868 -7.732
402 HB2 ASP 55 HB2 ASP 55 -11.443 2.179 -8.826
403 HB3 ASP 55 HB1 ASP 55 -12.457 2.414 -7.420
404 H VAL 56 HN VAL 56 -9.015 4.407 -5.685
405 HA VAL 56 HA VAL 56 -11.117 5.451 -3.970
406 HB VAL 56 HB VAL 56 -9.700 4.980 -1.928
407 HG11 VAL 56 HG11 VAL 56 -11.560 3.523 -2.435
408 HG12 VAL 56 HG12 VAL 56 -10.227 2.626 -1.705
409 HG13 VAL 56 HG13 VAL 56 -10.516 2.518 -3.445
410 HG21 VAL 56 HG21 VAL 56 -8.104 3.242 -3.815
411 HG22 VAL 56 HG22 VAL 56 -7.913 3.305 -2.062
412 HG23 VAL 56 HG23 VAL 56 -7.533 4.722 -3.041
413 H LYS 57 HN LYS 57 -9.440 6.820 -2.213
414 HA LYS 57 HA LYS 57 -7.584 8.283 -3.872
415 HB2 LYS 57 HB2 LYS 57 -9.926 9.338 -3.940
416 HB3 LYS 57 HB1 LYS 57 -9.723 9.645 -2.221
417 HG2 LYS 57 HG2 LYS 57 -9.179 11.614 -3.435
418 HG3 LYS 57 HG1 LYS 57 -7.697 10.946 -2.744
419 HD2 LYS 57 HD2 LYS 57 -7.273 9.845 -4.950
420 HD3 LYS 57 HD1 LYS 57 -8.647 10.747 -5.594
421 HE2 LYS 57 HE2 LYS 57 -6.556 11.880 -6.107
422 HE3 LYS 57 HE1 LYS 57 -7.530 12.849 -5.002
423 HZ1 LYS 57 HZ1 LYS 57 -6.185 12.143 -3.176
424 HZ2 LYS 57 HZ2 LYS 57 -5.139 12.718 -4.354
425 HZ3 LYS 57 HZ3 LYS 57 -5.353 11.040 -4.143
426 H ILE 58 HN ILE 58 -5.797 8.415 -2.746
427 HA ILE 58 HA ILE 58 -5.871 8.575 0.158
428 HB ILE 58 HB ILE 58 -3.999 6.620 -1.230
429 HG12 ILE 58 HG12 ILE 58 -6.541 5.871 0.240
430 HG13 ILE 58 HG11 ILE 58 -6.353 5.826 -1.509
431 HG21 ILE 58 HG21 ILE 58 -3.686 5.753 1.061
432 HG22 ILE 58 HG22 ILE 58 -4.824 6.944 1.663
433 HG23 ILE 58 HG23 ILE 58 -3.292 7.471 0.960
434 HD11 ILE 58 HD11 ILE 58 -4.804 4.195 0.484
435 HD12 ILE 58 HD12 ILE 58 -4.595 4.148 -1.266
436 HD13 ILE 58 HD13 ILE 58 -6.115 3.621 -0.543
437 HA PRO 59 HA PRO 59 -2.921 11.328 -1.886
438 HB2 PRO 59 HB2 PRO 59 -3.031 13.322 -0.096
439 HB3 PRO 59 HB1 PRO 59 -4.283 13.098 -1.323
440 HG2 PRO 59 HG2 PRO 59 -4.303 12.343 1.565
441 HG3 PRO 59 HG1 PRO 59 -5.602 13.040 0.580
442 HD2 PRO 59 HD2 PRO 59 -5.409 10.378 1.203
443 HD3 PRO 59 HD1 PRO 59 -6.228 10.999 -0.245
444 H ASP 60 HN ASP 60 -0.859 11.906 -1.410
445 HA ASP 60 HA ASP 60 0.857 10.499 0.138
446 HB2 ASP 60 HB2 ASP 60 1.666 11.933 -1.569
447 HB3 ASP 60 HB1 ASP 60 0.976 13.354 -0.803
448 H ASP 61 HN ASP 61 -1.177 13.064 1.263
449 HA ASP 61 HA ASP 61 0.244 13.443 3.747
450 HB2 ASP 61 HB2 ASP 61 -2.428 14.483 2.832
451 HB3 ASP 61 HB1 ASP 61 -1.683 14.877 4.373
452 H ASP 62 HN ASP 62 -2.852 11.944 2.802
453 HA ASP 62 HA ASP 62 -3.364 11.145 5.547
454 HB2 ASP 62 HB2 ASP 62 -4.846 10.553 2.989
455 HB3 ASP 62 HB1 ASP 62 -5.274 9.803 4.517
456 H VAL 63 HN VAL 63 -1.762 9.855 2.900
457 HA VAL 63 HA VAL 63 -2.044 7.151 3.613
458 HB VAL 63 HB VAL 63 -1.247 8.169 1.374
459 HG11 VAL 63 HG11 VAL 63 0.634 9.455 2.142
460 HG12 VAL 63 HG12 VAL 63 1.178 8.206 1.022
461 HG13 VAL 63 HG13 VAL 63 1.420 8.001 2.753
462 HG21 VAL 63 HG21 VAL 63 -1.510 5.828 1.730
463 HG22 VAL 63 HG22 VAL 63 0.066 5.734 2.524
464 HG23 VAL 63 HG23 VAL 63 -0.041 6.138 0.806
465 H LYS 64 HN LYS 64 -0.201 9.726 4.843
466 HA LYS 64 HA LYS 64 2.115 8.472 5.742
467 HB2 LYS 64 HB2 LYS 64 0.729 10.935 6.766
468 HB3 LYS 64 HB1 LYS 64 2.335 10.432 7.269
469 HG2 LYS 64 HG2 LYS 64 3.175 10.710 5.025
470 HG3 LYS 64 HG1 LYS 64 1.554 11.045 4.423
471 HD2 LYS 64 HD2 LYS 64 1.437 13.062 5.762
472 HD3 LYS 64 HD1 LYS 64 3.025 12.721 6.454
473 HE2 LYS 64 HE2 LYS 64 2.511 13.133 3.515
474 HE3 LYS 64 HE1 LYS 64 3.026 14.411 4.612
475 HZ1 LYS 64 HZ1 LYS 64 5.026 13.246 5.059
476 HZ2 LYS 64 HZ2 LYS 64 4.877 13.370 3.373
477 HZ3 LYS 64 HZ3 LYS 64 4.569 11.902 4.152
478 H ASN 65 HN ASN 65 -0.844 7.757 6.735
479 HA ASN 65 HA ASN 65 -0.146 7.239 9.547
480 HB2 ASN 65 HB2 ASN 65 -1.934 8.899 9.135
481 HB3 ASN 65 HB1 ASN 65 -2.810 7.713 8.194
482 HD21 ASN 65 HD21 ASN 65 -4.545 7.910 9.424
483 HD22 ASN 65 HD22 ASN 65 -4.722 7.297 11.031
484 H LEU 66 HN LEU 66 0.017 5.692 6.720
485 HA LEU 66 HA LEU 66 -1.489 3.293 7.569
486 HB2 LEU 66 HB2 LEU 66 -0.859 4.060 4.743
487 HB3 LEU 66 HB1 LEU 66 -1.879 2.780 5.375
488 HG LEU 66 HG LEU 66 -2.478 5.733 5.464
489 HD11 LEU 66 HD11 LEU 66 -2.612 4.802 3.243
490 HD12 LEU 66 HD12 LEU 66 -4.244 5.116 3.861
491 HD13 LEU 66 HD13 LEU 66 -3.591 3.472 3.855
492 HD21 LEU 66 HD21 LEU 66 -3.444 4.541 7.399
493 HD22 LEU 66 HD22 LEU 66 -4.171 3.374 6.276
494 HD23 LEU 66 HD23 LEU 66 -4.689 5.042 6.247
495 H LYS 67 HN LYS 67 1.207 3.767 8.247
496 HA LYS 67 HA LYS 67 3.175 2.995 6.560
497 HB2 LYS 67 HB2 LYS 67 4.420 2.118 8.686
498 HB3 LYS 67 HB1 LYS 67 4.061 3.819 8.456
499 HG2 LYS 67 HG2 LYS 67 3.600 3.201 10.724
500 HG3 LYS 67 HG1 LYS 67 2.090 3.575 9.906
501 HD2 LYS 67 HD2 LYS 67 1.798 1.096 9.574
502 HD3 LYS 67 HD1 LYS 67 3.190 0.871 10.639
503 HE2 LYS 67 HE2 LYS 67 0.626 2.281 11.300
504 HE3 LYS 67 HE1 LYS 67 1.089 0.683 11.867
505 HZ1 LYS 67 HZ1 LYS 67 1.535 2.300 13.603
506 HZ2 LYS 67 HZ2 LYS 67 2.376 3.273 12.565
507 HZ3 LYS 67 HZ3 LYS 67 3.032 1.781 13.019
508 H THR 68 HN THR 68 0.919 0.592 7.637
509 HA THR 68 HA THR 68 2.769 -1.404 6.535
510 HB THR 68 HB THR 68 1.343 -3.166 7.519
511 HG1 THR 68 HG1 THR 68 0.105 -1.187 9.155
512 HG21 THR 68 HG21 THR 68 2.462 -1.228 9.519
513 HG22 THR 68 HG22 THR 68 3.323 -2.512 8.644
514 HG23 THR 68 HG23 THR 68 2.065 -2.932 9.811
515 H VAL 69 HN VAL 69 1.744 -3.137 5.353
516 HA VAL 69 HA VAL 69 0.008 -2.341 3.308
517 HB VAL 69 HB VAL 69 -0.369 -4.933 3.173
518 HG11 VAL 69 HG11 VAL 69 1.237 -3.664 1.743
519 HG12 VAL 69 HG12 VAL 69 1.887 -5.238 2.210
520 HG13 VAL 69 HG13 VAL 69 2.431 -3.775 3.034
521 HG21 VAL 69 HG21 VAL 69 1.841 -4.742 5.150
522 HG22 VAL 69 HG22 VAL 69 1.309 -6.204 4.313
523 HG23 VAL 69 HG23 VAL 69 0.223 -5.375 5.429
524 H GLY 70 HN GLY 70 -0.570 -4.079 6.344
525 HA2 GLY 70 HA2 GLY 70 -3.308 -4.434 6.165
526 HA3 GLY 70 HA1 GLY 70 -2.400 -4.272 7.662
527 H ASP 71 HN ASP 71 -1.483 -1.656 7.464
528 HA ASP 71 HA ASP 71 -3.791 -0.251 8.332
529 HB2 ASP 71 HB2 ASP 71 -0.973 0.710 7.834
530 HB3 ASP 71 HB1 ASP 71 -2.258 1.822 8.258
531 H ALA 72 HN ALA 72 -1.928 -0.158 5.364
532 HA ALA 72 HA ALA 72 -3.319 1.911 4.112
533 HB1 ALA 72 HB1 ALA 72 -2.569 0.910 1.999
534 HB2 ALA 72 HB2 ALA 72 -2.132 -0.570 2.853
535 HB3 ALA 72 HB3 ALA 72 -1.264 0.931 3.187
536 H THR 73 HN THR 73 -3.835 -1.589 3.700
537 HA THR 73 HA THR 73 -6.238 -1.736 2.469
538 HB THR 73 HB THR 73 -5.190 -3.375 4.771
539 HG1 THR 73 HG1 THR 73 -3.720 -3.597 3.255
540 HG21 THR 73 HG21 THR 73 -6.558 -5.193 3.832
541 HG22 THR 73 HG22 THR 73 -7.195 -4.067 2.625
542 HG23 THR 73 HG23 THR 73 -7.563 -3.827 4.329
543 H LYS 74 HN LYS 74 -5.747 -1.405 5.940
544 HA LYS 74 HA LYS 74 -8.275 -1.415 7.018
545 HB2 LYS 74 HB2 LYS 74 -6.250 -1.565 8.230
546 HB3 LYS 74 HB1 LYS 74 -5.704 -0.027 7.636
547 HG2 LYS 74 HG2 LYS 74 -7.321 1.084 9.086
548 HG3 LYS 74 HG1 LYS 74 -7.851 -0.510 9.683
549 HD2 LYS 74 HD2 LYS 74 -5.667 -1.053 10.432
550 HD3 LYS 74 HD1 LYS 74 -4.980 0.368 9.665
551 HE2 LYS 74 HE2 LYS 74 -6.200 1.777 11.262
552 HE3 LYS 74 HE1 LYS 74 -6.819 0.315 12.043
553 HZ1 LYS 74 HZ1 LYS 74 -3.934 0.895 11.695
554 HZ2 LYS 74 HZ2 LYS 74 -4.609 -0.352 12.596
555 HZ3 LYS 74 HZ3 LYS 74 -4.779 1.252 13.116
556 H TYR 75 HN TYR 75 -6.559 1.172 5.362
557 HA TYR 75 HA TYR 75 -8.523 3.205 5.968
558 HB2 TYR 75 HB2 TYR 75 -6.107 3.701 5.796
559 HB3 TYR 75 HB1 TYR 75 -6.121 3.155 4.134
560 HD1 TYR 75 HD1 TYR 75 -6.984 5.878 6.427
561 HD2 TYR 75 HD2 TYR 75 -7.079 4.564 2.383
562 HE1 TYR 75 HE1 TYR 75 -7.491 8.167 5.701
563 HE2 TYR 75 HE2 TYR 75 -7.582 6.851 1.647
564 HH TYR 75 HH TYR 75 -8.462 8.903 2.493
565 H ILE 76 HN ILE 76 -7.293 1.365 3.238
566 HA ILE 76 HA ILE 76 -8.892 2.402 1.227
567 HB ILE 76 HB ILE 76 -7.610 -0.336 1.406
568 HG12 ILE 76 HG12 ILE 76 -6.559 2.198 0.136
569 HG13 ILE 76 HG11 ILE 76 -6.074 1.606 1.717
570 HG21 ILE 76 HG21 ILE 76 -7.688 -0.295 -1.051
571 HG22 ILE 76 HG22 ILE 76 -8.504 1.271 -0.995
572 HG23 ILE 76 HG23 ILE 76 -9.309 -0.165 -0.362
573 HD11 ILE 76 HD11 ILE 76 -5.649 0.196 -0.908
574 HD12 ILE 76 HD12 ILE 76 -5.171 -0.411 0.675
575 HD13 ILE 76 HD13 ILE 76 -4.424 1.051 0.031
576 H LEU 77 HN LEU 77 -9.339 -0.574 3.138
577 HA LEU 77 HA LEU 77 -11.724 -1.466 1.966
578 HB2 LEU 77 HB2 LEU 77 -10.400 -2.793 3.575
579 HB3 LEU 77 HB1 LEU 77 -10.824 -1.691 4.857
580 HG LEU 77 HG LEU 77 -12.933 -3.363 3.457
581 HD11 LEU 77 HD11 LEU 77 -11.196 -4.856 4.296
582 HD12 LEU 77 HD12 LEU 77 -12.664 -4.983 5.266
583 HD13 LEU 77 HD13 LEU 77 -11.280 -4.071 5.872
584 HD21 LEU 77 HD21 LEU 77 -13.732 -1.520 4.891
585 HD22 LEU 77 HD22 LEU 77 -12.784 -2.163 6.232
586 HD23 LEU 77 HD23 LEU 77 -14.132 -3.096 5.582
587 H ASP 78 HN ASP 78 -11.137 0.926 4.297
588 HA ASP 78 HA ASP 78 -13.951 1.410 4.922
589 HB2 ASP 78 HB2 ASP 78 -12.397 1.700 6.727
590 HB3 ASP 78 HB1 ASP 78 -11.419 2.812 5.780
591 H HIS 79 HN HIS 79 -11.451 2.925 3.071
592 HA HIS 79 HA HIS 79 -13.132 5.173 2.364
593 HB2 HIS 79 HB2 HIS 79 -10.247 4.635 2.229
594 HB3 HIS 79 HB1 HIS 79 -10.844 5.850 1.131
595 HD1 HIS 79 HD1 HIS 79 -11.736 8.080 2.270
596 HD2 HIS 79 HD2 HIS 79 -10.303 5.232 4.935
597 HE1 HIS 79 HE1 HIS 79 -11.399 9.285 4.430
598 HE2 HIS 79 HE2 HIS 79 -10.439 7.577 6.005
599 H GLN 80 HN GLN 80 -12.934 2.254 1.143
600 HA GLN 80 HA GLN 80 -12.752 2.205 -1.578
601 HB2 GLN 80 HB2 GLN 80 -14.923 1.195 0.174
602 HB3 GLN 80 HB1 GLN 80 -14.860 0.752 -1.543
603 HG2 GLN 80 HG2 GLN 80 -12.935 0.104 0.677
604 HG3 GLN 80 HG1 GLN 80 -14.060 -0.999 -0.107
605 HE21 GLN 80 HE21 GLN 80 -11.279 -1.184 0.228
606 HE22 GLN 80 HE22 GLN 80 -10.556 -1.301 -1.338
607 H ALA 81 HN ALA 81 -13.991 2.903 -3.367
608 HA ALA 81 HA ALA 81 -15.610 5.197 -2.957
609 HB1 ALA 81 HB1 ALA 81 -15.162 3.551 -5.449
610 HB2 ALA 81 HB2 ALA 81 -14.207 4.949 -4.953
611 HB3 ALA 81 HB3 ALA 81 -15.906 5.149 -5.391
612 H2 SHW 101 H2A SHW 101 3.191 6.985 3.519
613 H2A SHW 101 H2B SHW 101 3.486 5.648 2.420
614 H3 SHW 101 H3A SHW 101 1.419 5.308 3.813
615 HO3 SHW 101 HO3 SHW 101 3.313 5.076 5.906
616 H4 SHW 101 H4A SHW 101 1.969 2.974 4.485
617 H4A SHW 101 H4B SHW 101 3.665 3.320 4.198
618 H5 SHW 101 H5A SHW 101 2.873 2.151 2.309
619 H5A SHW 101 H5B SHW 101 3.076 3.830 1.819
620 H6 SHW 101 H6A SHW 101 0.686 4.216 2.102
621 H6A SHW 101 H6B SHW 101 0.470 2.534 2.598
622 H7 SHW 101 H7A SHW 101 1.273 1.784 0.401
623 H7A SHW 101 H7B SHW 101 1.474 3.477 -0.093
624 H8 SHW 101 H8C SHW 101 -0.635 2.537 -0.916
625 H8A SHW 101 H8A SHW 101 -0.921 3.840 0.238
626 H8B SHW 101 H8B SHW 101 -1.109 2.161 0.741
627 H28 SHW 101 H28A SHW 101 11.436 11.127 -1.000
628 H28A SHW 101 H28B SHW 101 10.730 9.671 -0.304
629 H30 SHW 101 H30A SHW 101 10.711 13.322 -0.282
630 H30A SHW 101 H30B SHW 101 11.090 12.900 1.390
631 H30B SHW 101 H30C SHW 101 9.489 13.513 0.975
632 H31 SHW 101 H31A SHW 101 7.920 12.072 -0.374
633 H31A SHW 101 H31B SHW 101 8.465 10.486 -0.913
634 H31B SHW 101 H31C SHW 101 9.177 11.946 -1.606
635 H32 SHW 101 H32A SHW 101 9.929 11.031 2.534
636 HO33 SHW 101 H33A SHW 101 7.303 10.980 1.874
637 HN36 SHW 101 H36A SHW 101 10.722 8.928 1.886
638 H37 SHW 101 H37A SHW 101 8.590 6.872 1.765
639 H37A SHW 101 H37B SHW 101 10.003 6.763 0.730
640 H38 SHW 101 H38A SHW 101 10.263 5.297 2.586
641 H38A SHW 101 H38B SHW 101 11.451 6.609 2.755
642 HN41 SHW 101 H41A SHW 101 8.318 7.571 3.397
643 H42 SHW 101 H42A SHW 101 8.580 7.325 6.298
644 H42A SHW 101 H42B SHW 101 7.792 8.662 5.447
645 H43 SHW 101 H43A SHW 101 6.122 7.100 6.321
646 H43A SHW 101 H43B SHW 101 6.878 5.792 5.379
Start of MODEL 7
1 H1 ALA 1 HT1 ALA 1 -17.790 -3.094 1.854
2 H2 ALA 1 HT2 ALA 1 -17.095 -2.067 0.722
3 H3 ALA 1 HT3 ALA 1 -17.281 -1.529 2.324
4 HA ALA 1 HA ALA 1 -15.017 -2.089 1.923
5 HB1 ALA 1 HB1 ALA 1 -14.680 -3.814 3.624
6 HB2 ALA 1 HB2 ALA 1 -16.387 -4.249 3.529
7 HB3 ALA 1 HB3 ALA 1 -15.916 -2.660 4.132
8 H ALA 2 HN ALA 2 -13.498 -4.087 1.623
9 HA ALA 2 HA ALA 2 -14.546 -5.824 -0.450
10 HB1 ALA 2 HB1 ALA 2 -13.272 -4.032 -1.581
11 HB2 ALA 2 HB2 ALA 2 -12.373 -5.541 -1.646
12 HB3 ALA 2 HB3 ALA 2 -11.911 -4.295 -0.495
13 H THR 3 HN THR 3 -12.744 -7.618 -0.675
14 HA THR 3 HA THR 3 -12.389 -8.672 1.945
15 HB THR 3 HB THR 3 -10.989 -9.673 -0.515
16 HG1 THR 3 HG1 THR 3 -12.848 -10.074 -1.473
17 HG21 THR 3 HG21 THR 3 -11.641 -11.820 0.466
18 HG22 THR 3 HG22 THR 3 -12.513 -10.934 1.732
19 HG23 THR 3 HG23 THR 3 -10.760 -10.812 1.626
20 H GLN 4 HN GLN 4 -10.580 -8.344 3.222
21 HA GLN 4 HA GLN 4 -8.780 -6.279 2.685
22 HB2 GLN 4 HB2 GLN 4 -8.421 -8.558 4.620
23 HB3 GLN 4 HB1 GLN 4 -7.386 -7.142 4.554
24 HG2 GLN 4 HG2 GLN 4 -9.405 -5.756 5.026
25 HG3 GLN 4 HG1 GLN 4 -10.292 -7.260 5.285
26 HE21 GLN 4 HE21 GLN 4 -7.942 -8.600 6.488
27 HE22 GLN 4 HE22 GLN 4 -7.769 -7.904 8.054
28 H GLU 5 HN GLU 5 -8.451 -9.653 2.150
29 HA GLU 5 HA GLU 5 -5.669 -9.704 1.544
30 HB2 GLU 5 HB2 GLU 5 -7.688 -11.661 0.449
31 HB3 GLU 5 HB1 GLU 5 -5.971 -11.917 0.694
32 HG2 GLU 5 HG2 GLU 5 -6.936 -13.103 2.416
33 HG3 GLU 5 HG1 GLU 5 -6.531 -11.572 3.197
34 H GLU 6 HN GLU 6 -8.500 -8.984 -0.266
35 HA GLU 6 HA GLU 6 -7.383 -9.280 -2.868
36 HB2 GLU 6 HB2 GLU 6 -9.815 -9.315 -2.262
37 HB3 GLU 6 HB1 GLU 6 -9.729 -7.574 -1.990
38 HG2 GLU 6 HG2 GLU 6 -10.658 -7.964 -4.118
39 HG3 GLU 6 HG1 GLU 6 -9.005 -7.384 -4.367
40 H ILE 7 HN ILE 7 -7.701 -6.822 -0.462
41 HA ILE 7 HA ILE 7 -6.861 -4.592 -2.007
42 HB ILE 7 HB ILE 7 -6.692 -4.981 0.968
43 HG12 ILE 7 HG12 ILE 7 -9.156 -4.300 -0.687
44 HG13 ILE 7 HG11 ILE 7 -8.880 -5.677 0.320
45 HG21 ILE 7 HG21 ILE 7 -7.099 -2.530 0.996
46 HG22 ILE 7 HG22 ILE 7 -7.144 -2.538 -0.766
47 HG23 ILE 7 HG23 ILE 7 -5.651 -2.947 0.078
48 HD11 ILE 7 HD11 ILE 7 -9.088 -2.876 1.372
49 HD12 ILE 7 HD12 ILE 7 -8.894 -4.351 2.322
50 HD13 ILE 7 HD13 ILE 7 -10.370 -4.090 1.393
51 H VAL 8 HN VAL 8 -5.381 -6.580 0.539
52 HA VAL 8 HA VAL 8 -2.792 -5.683 0.431
53 HB VAL 8 HB VAL 8 -3.911 -8.429 1.083
54 HG11 VAL 8 HG11 VAL 8 -1.761 -8.937 2.151
55 HG12 VAL 8 HG12 VAL 8 -1.097 -7.418 1.536
56 HG13 VAL 8 HG13 VAL 8 -1.580 -8.694 0.413
57 HG21 VAL 8 HG21 VAL 8 -4.580 -6.586 2.559
58 HG22 VAL 8 HG22 VAL 8 -2.907 -6.155 2.798
59 HG23 VAL 8 HG23 VAL 8 -3.510 -7.702 3.410
60 H ALA 9 HN ALA 9 -4.300 -8.194 -1.557
61 HA ALA 9 HA ALA 9 -2.014 -8.918 -3.051
62 HB1 ALA 9 HB1 ALA 9 -3.557 -9.880 -4.660
63 HB2 ALA 9 HB2 ALA 9 -4.895 -9.002 -3.915
64 HB3 ALA 9 HB3 ALA 9 -4.056 -10.265 -3.012
65 H GLY 10 HN GLY 10 -4.472 -6.447 -3.552
66 HA2 GLY 10 HA2 GLY 10 -3.635 -5.592 -6.106
67 HA3 GLY 10 HA1 GLY 10 -4.552 -4.637 -4.939
68 H LEU 11 HN LEU 11 -2.843 -4.596 -2.851
69 HA LEU 11 HA LEU 11 -1.006 -2.572 -3.547
70 HB2 LEU 11 HB2 LEU 11 -1.251 -4.279 -1.081
71 HB3 LEU 11 HB1 LEU 11 -0.112 -2.963 -1.238
72 HG LEU 11 HG LEU 11 -3.116 -2.676 -1.361
73 HD11 LEU 11 HD11 LEU 11 -1.158 -2.002 0.830
74 HD12 LEU 11 HD12 LEU 11 -2.335 -3.315 0.860
75 HD13 LEU 11 HD13 LEU 11 -2.883 -1.639 0.836
76 HD21 LEU 11 HD21 LEU 11 -2.653 -0.284 -1.209
77 HD22 LEU 11 HD22 LEU 11 -1.925 -0.979 -2.658
78 HD23 LEU 11 HD23 LEU 11 -0.919 -0.608 -1.257
79 H ALA 12 HN ALA 12 -0.653 -5.991 -2.822
80 HA ALA 12 HA ALA 12 2.083 -6.249 -2.840
81 HB1 ALA 12 HB1 ALA 12 0.072 -8.271 -3.819
82 HB2 ALA 12 HB2 ALA 12 0.522 -8.004 -2.137
83 HB3 ALA 12 HB3 ALA 12 1.714 -8.615 -3.272
84 H GLU 13 HN GLU 13 -0.141 -6.397 -5.585
85 HA GLU 13 HA GLU 13 2.006 -6.904 -7.375
86 HB2 GLU 13 HB2 GLU 13 0.442 -6.346 -9.241
87 HB3 GLU 13 HB1 GLU 13 -0.086 -7.632 -8.174
88 HG2 GLU 13 HG2 GLU 13 -1.668 -6.208 -7.130
89 HG3 GLU 13 HG1 GLU 13 -1.008 -4.795 -7.950
90 H ILE 14 HN ILE 14 0.566 -3.981 -6.336
91 HA ILE 14 HA ILE 14 1.849 -2.161 -8.075
92 HB ILE 14 HB ILE 14 0.992 -1.941 -5.182
93 HG12 ILE 14 HG12 ILE 14 -0.344 -0.868 -7.647
94 HG13 ILE 14 HG11 ILE 14 -0.707 -2.442 -6.945
95 HG21 ILE 14 HG21 ILE 14 1.063 0.492 -5.471
96 HG22 ILE 14 HG22 ILE 14 1.760 0.276 -7.079
97 HG23 ILE 14 HG23 ILE 14 2.663 -0.235 -5.651
98 HD11 ILE 14 HD11 ILE 14 -1.355 -1.409 -4.909
99 HD12 ILE 14 HD12 ILE 14 -2.299 -0.776 -6.268
100 HD13 ILE 14 HD13 ILE 14 -0.994 0.201 -5.553
101 H VAL 15 HN VAL 15 2.668 -3.360 -4.874
102 HA VAL 15 HA VAL 15 5.161 -2.143 -4.623
103 HB VAL 15 HB VAL 15 4.109 -4.670 -3.327
104 HG11 VAL 15 HG11 VAL 15 6.424 -2.920 -2.490
105 HG12 VAL 15 HG12 VAL 15 6.547 -4.557 -3.134
106 HG13 VAL 15 HG13 VAL 15 5.776 -4.281 -1.572
107 HG21 VAL 15 HG21 VAL 15 2.742 -2.737 -2.905
108 HG22 VAL 15 HG22 VAL 15 4.158 -1.823 -2.389
109 HG23 VAL 15 HG23 VAL 15 3.608 -3.208 -1.444
110 H ASN 16 HN ASN 16 4.286 -5.358 -5.843
111 HA ASN 16 HA ASN 16 6.884 -6.328 -6.241
112 HB2 ASN 16 HB2 ASN 16 4.656 -7.573 -6.503
113 HB3 ASN 16 HB1 ASN 16 4.613 -6.909 -8.132
114 HD21 ASN 16 HD21 ASN 16 7.252 -8.208 -6.159
115 HD22 ASN 16 HD22 ASN 16 7.804 -9.367 -7.295
116 H GLU 17 HN GLU 17 4.918 -4.198 -8.148
117 HA GLU 17 HA GLU 17 6.609 -4.176 -10.463
118 HB2 GLU 17 HB2 GLU 17 4.232 -3.847 -10.708
119 HB3 GLU 17 HB1 GLU 17 4.254 -2.503 -9.584
120 HG2 GLU 17 HG2 GLU 17 4.006 -1.786 -11.897
121 HG3 GLU 17 HG1 GLU 17 5.478 -1.156 -11.165
122 H ILE 18 HN ILE 18 5.684 -1.645 -8.167
123 HA ILE 18 HA ILE 18 7.644 0.205 -9.123
124 HB ILE 18 HB ILE 18 5.846 0.325 -6.677
125 HG12 ILE 18 HG12 ILE 18 5.549 1.651 -9.334
126 HG13 ILE 18 HG11 ILE 18 4.763 0.101 -8.986
127 HG21 ILE 18 HG21 ILE 18 6.256 2.738 -6.767
128 HG22 ILE 18 HG22 ILE 18 7.385 2.499 -8.102
129 HG23 ILE 18 HG23 ILE 18 7.756 1.849 -6.507
130 HD11 ILE 18 HD11 ILE 18 3.227 1.950 -8.763
131 HD12 ILE 18 HD12 ILE 18 4.322 2.762 -7.644
132 HD13 ILE 18 HD13 ILE 18 3.542 1.251 -7.178
133 H ALA 19 HN ALA 19 7.216 -1.540 -6.086
134 HA ALA 19 HA ALA 19 9.651 -0.505 -4.958
135 HB1 ALA 19 HB1 ALA 19 7.798 -2.665 -3.972
136 HB2 ALA 19 HB2 ALA 19 7.696 -0.948 -3.578
137 HB3 ALA 19 HB3 ALA 19 9.088 -1.890 -3.050
138 H GLY 20 HN GLY 20 8.550 -3.503 -6.396
139 HA2 GLY 20 HA2 GLY 20 9.801 -5.195 -7.392
140 HA3 GLY 20 HA1 GLY 20 11.285 -4.443 -6.824
141 H ILE 21 HN ILE 21 8.512 -5.158 -4.862
142 HA ILE 21 HA ILE 21 10.130 -7.096 -3.366
143 HB ILE 21 HB ILE 21 7.832 -5.371 -2.365
144 HG12 ILE 21 HG12 ILE 21 9.846 -4.014 -2.759
145 HG13 ILE 21 HG11 ILE 21 9.498 -4.147 -1.041
146 HG21 ILE 21 HG21 ILE 21 7.917 -7.480 -1.180
147 HG22 ILE 21 HG22 ILE 21 8.434 -6.163 -0.124
148 HG23 ILE 21 HG23 ILE 21 9.631 -7.238 -0.838
149 HD11 ILE 21 HD11 ILE 21 11.881 -4.313 -1.479
150 HD12 ILE 21 HD12 ILE 21 11.601 -5.688 -2.550
151 HD13 ILE 21 HD13 ILE 21 11.264 -5.831 -0.826
152 HA PRO 22 HA PRO 22 7.533 -10.551 -4.661
153 HB2 PRO 22 HB2 PRO 22 7.490 -11.295 -1.887
154 HB3 PRO 22 HB1 PRO 22 8.358 -12.049 -3.226
155 HG2 PRO 22 HG2 PRO 22 9.305 -10.088 -1.239
156 HG3 PRO 22 HG1 PRO 22 10.234 -11.236 -2.222
157 HD2 PRO 22 HD2 PRO 22 10.351 -8.631 -2.750
158 HD3 PRO 22 HD1 PRO 22 10.240 -9.840 -4.061
159 H VAL 23 HN VAL 23 5.544 -10.587 -5.056
160 HA VAL 23 HA VAL 23 3.450 -9.116 -3.910
161 HB VAL 23 HB VAL 23 3.355 -11.791 -5.374
162 HG11 VAL 23 HG11 VAL 23 1.120 -9.818 -4.921
163 HG12 VAL 23 HG12 VAL 23 1.263 -11.419 -4.194
164 HG13 VAL 23 HG13 VAL 23 1.034 -11.259 -5.937
165 HG21 VAL 23 HG21 VAL 23 2.804 -10.468 -7.357
166 HG22 VAL 23 HG22 VAL 23 4.394 -10.063 -6.706
167 HG23 VAL 23 HG23 VAL 23 3.023 -8.991 -6.421
168 H GLU 24 HN GLU 24 4.895 -12.136 -3.163
169 HA GLU 24 HA GLU 24 2.791 -12.674 -1.390
170 HB2 GLU 24 HB2 GLU 24 3.923 -14.883 -0.810
171 HB3 GLU 24 HB1 GLU 24 3.362 -14.662 -2.454
172 HG2 GLU 24 HG2 GLU 24 6.218 -14.229 -1.634
173 HG3 GLU 24 HG1 GLU 24 5.594 -15.796 -2.141
174 H ASP 25 HN ASP 25 5.898 -11.319 -1.082
175 HA ASP 25 HA ASP 25 6.044 -11.868 1.767
176 HB2 ASP 25 HB2 ASP 25 8.144 -11.593 0.403
177 HB3 ASP 25 HB1 ASP 25 7.716 -9.894 0.198
178 H VAL 26 HN VAL 26 4.638 -9.699 -0.277
179 HA VAL 26 HA VAL 26 4.153 -7.623 1.644
180 HB VAL 26 HB VAL 26 2.994 -8.176 -1.123
181 HG11 VAL 26 HG11 VAL 26 1.863 -6.030 -0.976
182 HG12 VAL 26 HG12 VAL 26 2.386 -5.840 0.708
183 HG13 VAL 26 HG13 VAL 26 1.258 -7.133 0.259
184 HG21 VAL 26 HG21 VAL 26 4.724 -5.974 -0.032
185 HG22 VAL 26 HG22 VAL 26 4.182 -6.124 -1.697
186 HG23 VAL 26 HG23 VAL 26 5.287 -7.327 -1.013
187 H LYS 27 HN LYS 27 3.616 -8.958 3.205
188 HA LYS 27 HA LYS 27 1.109 -10.470 3.359
189 HB2 LYS 27 HB2 LYS 27 3.193 -9.716 5.421
190 HB3 LYS 27 HB1 LYS 27 1.930 -10.923 5.607
191 HG2 LYS 27 HG2 LYS 27 2.970 -12.365 4.007
192 HG3 LYS 27 HG1 LYS 27 4.156 -11.121 3.588
193 HD2 LYS 27 HD2 LYS 27 5.086 -11.203 5.804
194 HD3 LYS 27 HD1 LYS 27 3.829 -12.318 6.328
195 HE2 LYS 27 HE2 LYS 27 5.879 -13.548 5.948
196 HE3 LYS 27 HE1 LYS 27 4.672 -13.971 4.736
197 HZ1 LYS 27 HZ1 LYS 27 6.690 -11.924 3.964
198 HZ2 LYS 27 HZ2 LYS 27 5.956 -13.212 3.078
199 HZ3 LYS 27 HZ3 LYS 27 7.117 -13.509 4.208
200 H LEU 28 HN LEU 28 0.967 -9.437 6.255
201 HA LEU 28 HA LEU 28 -0.388 -6.959 5.490
202 HB2 LEU 28 HB2 LEU 28 -1.793 -9.016 5.970
203 HB3 LEU 28 HB1 LEU 28 -1.238 -8.861 7.625
204 HG LEU 28 HG LEU 28 -2.533 -6.562 6.336
205 HD11 LEU 28 HD11 LEU 28 -4.743 -7.455 7.022
206 HD12 LEU 28 HD12 LEU 28 -3.939 -8.980 7.459
207 HD13 LEU 28 HD13 LEU 28 -3.949 -8.427 5.776
208 HD21 LEU 28 HD21 LEU 28 -3.422 -6.198 8.619
209 HD22 LEU 28 HD22 LEU 28 -1.661 -6.312 8.607
210 HD23 LEU 28 HD23 LEU 28 -2.630 -7.683 9.147
211 H ASP 29 HN ASP 29 1.851 -8.450 7.524
212 HA ASP 29 HA ASP 29 1.851 -6.451 9.659
213 HB2 ASP 29 HB2 ASP 29 2.115 -8.796 10.252
214 HB3 ASP 29 HB1 ASP 29 3.440 -8.979 9.119
215 H LYS 30 HN LYS 30 2.888 -6.568 6.689
216 HA LYS 30 HA LYS 30 5.680 -5.854 7.040
217 HB2 LYS 30 HB2 LYS 30 4.018 -6.298 4.610
218 HB3 LYS 30 HB1 LYS 30 5.676 -5.727 4.540
219 HG2 LYS 30 HG2 LYS 30 4.831 -8.276 5.878
220 HG3 LYS 30 HG1 LYS 30 5.453 -8.165 4.227
221 HD2 LYS 30 HD2 LYS 30 7.517 -7.087 5.158
222 HD3 LYS 30 HD1 LYS 30 6.866 -7.378 6.757
223 HE2 LYS 30 HE2 LYS 30 6.909 -9.738 6.468
224 HE3 LYS 30 HE1 LYS 30 7.329 -9.572 4.763
225 HZ1 LYS 30 HZ1 LYS 30 9.182 -10.124 6.343
226 HZ2 LYS 30 HZ2 LYS 30 9.085 -8.476 6.868
227 HZ3 LYS 30 HZ3 LYS 30 9.442 -8.837 5.282
228 H SER 31 HN SER 31 6.071 -3.808 7.721
229 HA SER 31 HA SER 31 4.753 -1.560 6.727
230 HB2 SER 31 HB2 SER 31 7.546 -1.743 7.816
231 HB3 SER 31 HB1 SER 31 6.339 -0.464 8.003
232 HG SER 31 HG SER 31 5.634 -1.436 9.697
233 H PHE 32 HN PHE 32 4.897 -1.237 4.530
234 HA PHE 32 HA PHE 32 6.522 -2.003 2.574
235 HB2 PHE 32 HB2 PHE 32 5.712 0.896 2.820
236 HB3 PHE 32 HB1 PHE 32 6.264 0.038 1.399
237 HD1 PHE 32 HD1 PHE 32 4.931 -1.356 0.169
238 HD2 PHE 32 HD2 PHE 32 3.456 0.369 3.723
239 HE1 PHE 32 HE1 PHE 32 2.608 -1.988 -0.490
240 HE2 PHE 32 HE2 PHE 32 1.143 -0.242 3.089
241 HZ PHE 32 HZ PHE 32 0.729 -1.409 0.978
242 H THR 33 HN THR 33 7.381 1.338 3.574
243 HA THR 33 HA THR 33 10.081 0.853 2.862
244 HB THR 33 HB THR 33 9.988 3.332 3.952
245 HG1 THR 33 HG1 THR 33 7.832 3.434 4.387
246 HG21 THR 33 HG21 THR 33 10.800 2.694 1.749
247 HG22 THR 33 HG22 THR 33 9.664 4.043 1.613
248 HG23 THR 33 HG23 THR 33 9.157 2.405 1.205
249 H ASP 34 HN ASP 34 9.471 -0.752 5.135
250 HA ASP 34 HA ASP 34 11.569 0.217 6.843
251 HB2 ASP 34 HB2 ASP 34 9.720 1.404 7.813
252 HB3 ASP 34 HB1 ASP 34 8.787 -0.077 7.958
253 H ASP 35 HN ASP 35 9.032 -2.258 6.526
254 HA ASP 35 HA ASP 35 10.875 -4.212 7.717
255 HB2 ASP 35 HB2 ASP 35 8.272 -4.082 8.237
256 HB3 ASP 35 HB1 ASP 35 8.126 -4.881 6.675
257 H LEU 36 HN LEU 36 8.884 -3.716 4.819
258 HA LEU 36 HA LEU 36 10.064 -5.820 3.282
259 HB2 LEU 36 HB2 LEU 36 8.556 -3.350 2.403
260 HB3 LEU 36 HB1 LEU 36 9.022 -4.646 1.325
261 HG LEU 36 HG LEU 36 7.128 -4.964 3.659
262 HD11 LEU 36 HD11 LEU 36 5.381 -5.068 1.953
263 HD12 LEU 36 HD12 LEU 36 6.570 -4.700 0.705
264 HD13 LEU 36 HD13 LEU 36 6.188 -3.501 1.943
265 HD21 LEU 36 HD21 LEU 36 8.305 -7.017 3.035
266 HD22 LEU 36 HD22 LEU 36 7.809 -6.802 1.358
267 HD23 LEU 36 HD23 LEU 36 6.601 -7.099 2.602
268 H ASP 37 HN ASP 37 10.380 -2.326 3.243
269 HA ASP 37 HA ASP 37 12.062 -0.924 2.955
270 HB2 ASP 37 HB2 ASP 37 13.463 -2.247 4.414
271 HB3 ASP 37 HB1 ASP 37 13.844 -3.352 3.097
272 H VAL 38 HN VAL 38 11.103 -0.452 1.007
273 HA VAL 38 HA VAL 38 12.591 -1.398 -1.272
274 HB VAL 38 HB VAL 38 10.303 -1.359 -1.802
275 HG11 VAL 38 HG11 VAL 38 9.483 -0.105 0.111
276 HG12 VAL 38 HG12 VAL 38 8.723 0.436 -1.379
277 HG13 VAL 38 HG13 VAL 38 9.966 1.421 -0.628
278 HG21 VAL 38 HG21 VAL 38 11.598 -0.354 -3.588
279 HG22 VAL 38 HG22 VAL 38 11.414 1.244 -2.868
280 HG23 VAL 38 HG23 VAL 38 10.006 0.401 -3.514
281 H ASP 39 HN ASP 39 11.470 1.940 -0.848
282 HA ASP 39 HA ASP 39 13.872 3.087 -0.126
283 HB2 ASP 39 HB2 ASP 39 14.255 2.454 -2.700
284 HB3 ASP 39 HB1 ASP 39 13.025 3.729 -2.883
285 H SER 40 HN SER 40 13.477 5.444 -0.812
286 HA SER 40 HA SER 40 11.000 6.048 0.551
287 HB2 SER 40 HB2 SER 40 13.137 6.867 1.385
288 HB3 SER 40 HB1 SER 40 13.432 7.697 -0.138
289 H LEU 41 HN LEU 41 12.427 6.299 -2.574
290 HA LEU 41 HA LEU 41 10.743 8.496 -3.433
291 HB2 LEU 41 HB2 LEU 41 12.577 6.760 -5.071
292 HB3 LEU 41 HB1 LEU 41 11.761 8.199 -5.644
293 HG LEU 41 HG LEU 41 13.948 8.041 -3.583
294 HD11 LEU 41 HD11 LEU 41 15.165 9.430 -5.175
295 HD12 LEU 41 HD12 LEU 41 13.803 9.337 -6.292
296 HD13 LEU 41 HD13 LEU 41 14.703 7.879 -5.874
297 HD21 LEU 41 HD21 LEU 41 12.313 9.694 -2.888
298 HD22 LEU 41 HD22 LEU 41 12.361 10.432 -4.487
299 HD23 LEU 41 HD23 LEU 41 13.789 10.476 -3.451
300 H SER 42 HN SER 42 10.913 5.016 -4.018
301 HA SER 42 HA SER 42 9.012 4.831 -6.043
302 HB2 SER 42 HB2 SER 42 9.467 2.648 -4.103
303 HB3 SER 42 HB1 SER 42 9.570 2.636 -5.869
304 HG SER 42 HG SER 42 11.650 2.981 -5.701
305 H MET 43 HN MET 43 8.833 5.227 -2.670
306 HA MET 43 HA MET 43 6.532 3.910 -1.896
307 HB2 MET 43 HB2 MET 43 8.146 4.784 -0.360
308 HB3 MET 43 HB1 MET 43 7.762 6.430 -0.836
309 HG2 MET 43 HG2 MET 43 6.828 5.601 1.305
310 HG3 MET 43 HG1 MET 43 5.675 6.357 0.183
311 HE1 MET 43 HE1 MET 43 7.047 2.845 1.517
312 HE2 MET 43 HE2 MET 43 7.274 2.912 -0.222
313 HE3 MET 43 HE3 MET 43 6.095 1.785 0.463
314 H VAL 44 HN VAL 44 6.866 7.183 -3.288
315 HA VAL 44 HA VAL 44 4.176 7.899 -2.739
316 HB VAL 44 HB VAL 44 6.060 9.141 -4.772
317 HG11 VAL 44 HG11 VAL 44 3.546 10.243 -3.506
318 HG12 VAL 44 HG12 VAL 44 3.720 9.741 -5.187
319 HG13 VAL 44 HG13 VAL 44 4.630 11.126 -4.582
320 HG21 VAL 44 HG21 VAL 44 5.476 9.888 -1.921
321 HG22 VAL 44 HG22 VAL 44 6.495 10.797 -3.037
322 HG23 VAL 44 HG23 VAL 44 6.968 9.174 -2.527
323 H GLU 45 HN GLU 45 5.735 6.190 -5.328
324 HA GLU 45 HA GLU 45 3.600 6.493 -7.156
325 HB2 GLU 45 HB2 GLU 45 5.881 4.532 -7.016
326 HB3 GLU 45 HB1 GLU 45 4.777 4.690 -8.376
327 HG2 GLU 45 HG2 GLU 45 6.593 6.848 -7.343
328 HG3 GLU 45 HG1 GLU 45 6.885 5.848 -8.769
329 H VAL 46 HN VAL 46 4.532 4.253 -4.655
330 HA VAL 46 HA VAL 46 2.617 2.231 -5.149
331 HB VAL 46 HB VAL 46 3.773 3.119 -2.469
332 HG11 VAL 46 HG11 VAL 46 2.476 0.507 -3.251
333 HG12 VAL 46 HG12 VAL 46 1.786 1.729 -2.184
334 HG13 VAL 46 HG13 VAL 46 3.235 0.850 -1.697
335 HG21 VAL 46 HG21 VAL 46 5.388 1.296 -2.771
336 HG22 VAL 46 HG22 VAL 46 5.531 2.510 -4.040
337 HG23 VAL 46 HG23 VAL 46 4.722 0.978 -4.373
338 H VAL 47 HN VAL 47 2.558 5.108 -3.118
339 HA VAL 47 HA VAL 47 -0.041 5.035 -2.103
340 HB VAL 47 HB VAL 47 1.580 7.438 -3.014
341 HG11 VAL 47 HG11 VAL 47 -0.741 7.322 -1.094
342 HG12 VAL 47 HG12 VAL 47 -0.754 8.047 -2.700
343 HG13 VAL 47 HG13 VAL 47 0.247 8.743 -1.427
344 HG21 VAL 47 HG21 VAL 47 2.779 6.084 -1.404
345 HG22 VAL 47 HG22 VAL 47 1.392 6.117 -0.317
346 HG23 VAL 47 HG23 VAL 47 2.270 7.606 -0.671
347 H VAL 48 HN VAL 48 1.022 7.016 -4.846
348 HA VAL 48 HA VAL 48 -1.410 7.668 -5.942
349 HB VAL 48 HB VAL 48 1.219 7.254 -7.403
350 HG11 VAL 48 HG11 VAL 48 -0.633 7.276 -9.008
351 HG12 VAL 48 HG12 VAL 48 0.328 8.750 -9.129
352 HG13 VAL 48 HG13 VAL 48 -1.230 8.779 -8.303
353 HG21 VAL 48 HG21 VAL 48 1.332 8.872 -5.594
354 HG22 VAL 48 HG22 VAL 48 -0.075 9.717 -6.240
355 HG23 VAL 48 HG23 VAL 48 1.431 9.685 -7.156
356 H ALA 49 HN ALA 49 0.449 4.722 -6.721
357 HA ALA 49 HA ALA 49 -1.373 3.831 -8.691
358 HB1 ALA 49 HB1 ALA 49 0.934 2.997 -8.562
359 HB2 ALA 49 HB2 ALA 49 -0.246 1.685 -8.555
360 HB3 ALA 49 HB3 ALA 49 0.539 2.172 -7.054
361 H ALA 50 HN ALA 50 -1.159 3.263 -5.204
362 HA ALA 50 HA ALA 50 -3.156 1.288 -5.018
363 HB1 ALA 50 HB1 ALA 50 -1.629 1.814 -3.168
364 HB2 ALA 50 HB2 ALA 50 -3.314 1.907 -2.656
365 HB3 ALA 50 HB3 ALA 50 -2.409 3.384 -2.976
366 H GLU 51 HN GLU 51 -3.274 4.791 -5.091
367 HA GLU 51 HA GLU 51 -5.910 5.313 -4.487
368 HB2 GLU 51 HB2 GLU 51 -4.184 6.575 -6.597
369 HB3 GLU 51 HB1 GLU 51 -5.640 7.293 -5.967
370 HG2 GLU 51 HG2 GLU 51 -4.498 7.346 -3.716
371 HG3 GLU 51 HG1 GLU 51 -3.049 6.788 -4.524
372 H GLU 52 HN GLU 52 -4.505 4.711 -7.669
373 HA GLU 52 HA GLU 52 -6.989 4.646 -9.067
374 HB2 GLU 52 HB2 GLU 52 -4.981 5.266 -10.213
375 HB3 GLU 52 HB1 GLU 52 -4.206 3.752 -9.796
376 HG2 GLU 52 HG2 GLU 52 -4.791 3.665 -12.093
377 HG3 GLU 52 HG1 GLU 52 -5.867 2.579 -11.220
378 H ARG 53 HN ARG 53 -5.020 2.199 -7.523
379 HA ARG 53 HA ARG 53 -5.789 -0.016 -9.092
380 HB2 ARG 53 HB2 ARG 53 -3.763 0.286 -7.579
381 HB3 ARG 53 HB1 ARG 53 -4.836 -0.105 -6.249
382 HG2 ARG 53 HG2 ARG 53 -3.571 -2.040 -6.933
383 HG3 ARG 53 HG1 ARG 53 -5.288 -2.284 -7.274
384 HD2 ARG 53 HD2 ARG 53 -3.730 -3.011 -9.066
385 HD3 ARG 53 HD1 ARG 53 -4.981 -1.888 -9.590
386 HE ARG 53 HE ARG 53 -3.302 -0.102 -9.514
387 HH11 ARG 53 HH11 ARG 53 -1.995 -3.432 -9.820
388 HH12 ARG 53 HH12 ARG 53 -0.526 -2.859 -10.457
389 HH21 ARG 53 HH21 ARG 53 -1.307 0.549 -10.430
390 HH22 ARG 53 HH22 ARG 53 -0.105 -0.636 -10.791
391 H PHE 54 HN PHE 54 -6.991 1.438 -6.210
392 HA PHE 54 HA PHE 54 -9.140 -0.571 -6.104
393 HB2 PHE 54 HB2 PHE 54 -8.107 1.226 -3.924
394 HB3 PHE 54 HB1 PHE 54 -9.330 -0.022 -3.774
395 HD1 PHE 54 HD1 PHE 54 -8.482 -2.414 -4.644
396 HD2 PHE 54 HD2 PHE 54 -5.981 0.715 -3.184
397 HE1 PHE 54 HE1 PHE 54 -6.717 -4.053 -4.140
398 HE2 PHE 54 HE2 PHE 54 -4.253 -0.934 -2.658
399 HZ PHE 54 HZ PHE 54 -4.595 -3.256 -3.088
400 H ASP 55 HN ASP 55 -8.445 2.429 -7.146
401 HA ASP 55 HA ASP 55 -9.426 4.406 -7.538
402 HB2 ASP 55 HB2 ASP 55 -11.035 2.746 -8.683
403 HB3 ASP 55 HB1 ASP 55 -12.073 2.982 -7.295
404 H VAL 56 HN VAL 56 -8.966 3.609 -4.870
405 HA VAL 56 HA VAL 56 -11.121 4.553 -3.204
406 HB VAL 56 HB VAL 56 -9.860 2.622 -2.468
407 HG11 VAL 56 HG11 VAL 56 -7.428 4.386 -2.432
408 HG12 VAL 56 HG12 VAL 56 -7.750 3.043 -3.531
409 HG13 VAL 56 HG13 VAL 56 -7.516 2.737 -1.811
410 HG21 VAL 56 HG21 VAL 56 -9.216 3.295 -0.202
411 HG22 VAL 56 HG22 VAL 56 -10.742 4.027 -0.705
412 HG23 VAL 56 HG23 VAL 56 -9.261 4.985 -0.700
413 H LYS 57 HN LYS 57 -8.226 5.749 -4.517
414 HA LYS 57 HA LYS 57 -7.007 7.620 -4.393
415 HB2 LYS 57 HB2 LYS 57 -9.275 8.491 -5.197
416 HB3 LYS 57 HB1 LYS 57 -9.518 9.062 -3.554
417 HG2 LYS 57 HG2 LYS 57 -8.732 10.884 -4.892
418 HG3 LYS 57 HG1 LYS 57 -7.446 10.418 -3.776
419 HD2 LYS 57 HD2 LYS 57 -6.361 9.134 -5.550
420 HD3 LYS 57 HD1 LYS 57 -7.651 9.568 -6.668
421 HE2 LYS 57 HE2 LYS 57 -5.683 10.949 -7.043
422 HE3 LYS 57 HE1 LYS 57 -7.021 11.933 -6.456
423 HZ1 LYS 57 HZ1 LYS 57 -4.801 12.392 -5.414
424 HZ2 LYS 57 HZ2 LYS 57 -4.848 10.890 -4.709
425 HZ3 LYS 57 HZ3 LYS 57 -6.012 12.061 -4.306
426 H ILE 58 HN ILE 58 -5.677 7.044 -2.770
427 HA ILE 58 HA ILE 58 -6.208 8.032 -0.054
428 HB ILE 58 HB ILE 58 -3.880 6.359 -0.987
429 HG12 ILE 58 HG12 ILE 58 -6.417 5.298 0.247
430 HG13 ILE 58 HG11 ILE 58 -6.034 5.195 -1.467
431 HG21 ILE 58 HG21 ILE 58 -3.524 7.443 1.147
432 HG22 ILE 58 HG22 ILE 58 -3.789 5.723 1.420
433 HG23 ILE 58 HG23 ILE 58 -5.087 6.866 1.734
434 HD11 ILE 58 HD11 ILE 58 -4.426 3.983 0.760
435 HD12 ILE 58 HD12 ILE 58 -4.065 3.890 -0.969
436 HD13 ILE 58 HD13 ILE 58 -5.521 3.123 -0.327
437 HA PRO 59 HA PRO 59 -3.326 11.149 -1.741
438 HB2 PRO 59 HB2 PRO 59 -3.694 12.938 0.293
439 HB3 PRO 59 HB1 PRO 59 -4.778 12.833 -1.099
440 HG2 PRO 59 HG2 PRO 59 -5.107 11.708 1.649
441 HG3 PRO 59 HG1 PRO 59 -6.306 12.499 0.607
442 HD2 PRO 59 HD2 PRO 59 -6.160 9.813 0.894
443 HD3 PRO 59 HD1 PRO 59 -6.687 10.588 -0.615
444 H ASP 60 HN ASP 60 -1.173 11.540 -1.140
445 HA ASP 60 HA ASP 60 0.161 9.948 0.565
446 HB2 ASP 60 HB2 ASP 60 2.085 11.460 0.446
447 HB3 ASP 60 HB1 ASP 60 1.308 11.322 -1.116
448 H ASP 61 HN ASP 61 -1.560 12.836 1.370
449 HA ASP 61 HA ASP 61 -0.670 13.458 3.918
450 HB2 ASP 61 HB2 ASP 61 -2.253 14.866 2.742
451 HB3 ASP 61 HB1 ASP 61 -3.470 13.597 2.791
452 H ASP 62 HN ASP 62 -3.329 11.162 3.111
453 HA ASP 62 HA ASP 62 -3.571 10.367 5.897
454 HB2 ASP 62 HB2 ASP 62 -4.834 9.245 3.396
455 HB3 ASP 62 HB1 ASP 62 -5.006 8.453 4.954
456 H VAL 63 HN VAL 63 -1.890 9.351 3.187
457 HA VAL 63 HA VAL 63 -1.102 6.820 4.020
458 HB VAL 63 HB VAL 63 -0.125 8.809 2.078
459 HG11 VAL 63 HG11 VAL 63 2.006 7.904 3.035
460 HG12 VAL 63 HG12 VAL 63 1.756 7.370 1.370
461 HG13 VAL 63 HG13 VAL 63 1.406 6.273 2.709
462 HG21 VAL 63 HG21 VAL 63 -0.453 6.954 0.525
463 HG22 VAL 63 HG22 VAL 63 -1.882 7.346 1.482
464 HG23 VAL 63 HG23 VAL 63 -0.906 5.935 1.891
465 H LYS 64 HN LYS 64 -0.155 9.909 5.176
466 HA LYS 64 HA LYS 64 2.344 9.198 6.323
467 HB2 LYS 64 HB2 LYS 64 0.419 11.340 7.194
468 HB3 LYS 64 HB1 LYS 64 2.102 11.227 7.677
469 HG2 LYS 64 HG2 LYS 64 2.748 11.571 5.297
470 HG3 LYS 64 HG1 LYS 64 1.051 11.794 4.899
471 HD2 LYS 64 HD2 LYS 64 2.643 13.483 6.842
472 HD3 LYS 64 HD1 LYS 64 2.169 13.949 5.209
473 HE2 LYS 64 HE2 LYS 64 -0.199 13.781 5.868
474 HE3 LYS 64 HE1 LYS 64 0.298 13.337 7.498
475 HZ1 LYS 64 HZ1 LYS 64 -0.263 15.615 7.438
476 HZ2 LYS 64 HZ2 LYS 64 0.745 15.926 6.134
477 HZ3 LYS 64 HZ3 LYS 64 1.416 15.532 7.652
478 H ASN 65 HN ASN 65 -0.757 8.178 7.099
479 HA ASN 65 HA ASN 65 -0.108 7.822 9.938
480 HB2 ASN 65 HB2 ASN 65 -2.227 9.087 9.303
481 HB3 ASN 65 HB1 ASN 65 -2.823 7.586 8.612
482 HD21 ASN 65 HD21 ASN 65 -4.511 7.464 10.008
483 HD22 ASN 65 HD22 ASN 65 -4.370 7.110 11.688
484 H LEU 66 HN LEU 66 -0.356 6.375 6.912
485 HA LEU 66 HA LEU 66 -0.888 3.655 7.864
486 HB2 LEU 66 HB2 LEU 66 -0.182 4.595 5.079
487 HB3 LEU 66 HB1 LEU 66 -0.857 3.067 5.617
488 HG LEU 66 HG LEU 66 -2.380 5.685 5.645
489 HD11 LEU 66 HD11 LEU 66 -3.542 4.816 3.681
490 HD12 LEU 66 HD12 LEU 66 -2.465 3.417 3.673
491 HD13 LEU 66 HD13 LEU 66 -1.816 5.030 3.367
492 HD21 LEU 66 HD21 LEU 66 -3.261 4.040 7.235
493 HD22 LEU 66 HD22 LEU 66 -3.278 2.825 5.950
494 HD23 LEU 66 HD23 LEU 66 -4.343 4.204 5.844
495 H LYS 67 HN LYS 67 0.629 2.322 7.955
496 HA LYS 67 HA LYS 67 3.290 2.985 6.961
497 HB2 LYS 67 HB2 LYS 67 4.145 1.893 9.301
498 HB3 LYS 67 HB1 LYS 67 4.004 3.613 8.997
499 HG2 LYS 67 HG2 LYS 67 3.074 3.008 11.170
500 HG3 LYS 67 HG1 LYS 67 1.831 3.644 10.095
501 HD2 LYS 67 HD2 LYS 67 1.148 1.304 9.601
502 HD3 LYS 67 HD1 LYS 67 2.335 0.755 10.783
503 HE2 LYS 67 HE2 LYS 67 0.038 0.882 11.646
504 HE3 LYS 67 HE1 LYS 67 1.184 1.884 12.558
505 HZ1 LYS 67 HZ1 LYS 67 -0.733 2.873 10.474
506 HZ2 LYS 67 HZ2 LYS 67 0.270 3.841 11.428
507 HZ3 LYS 67 HZ3 LYS 67 -0.965 2.955 12.129
508 H THR 68 HN THR 68 1.036 0.535 7.637
509 HA THR 68 HA THR 68 2.988 -1.365 6.595
510 HB THR 68 HB THR 68 1.472 -3.149 7.599
511 HG1 THR 68 HG1 THR 68 0.604 -1.765 9.684
512 HG21 THR 68 HG21 THR 68 2.983 -1.335 9.478
513 HG22 THR 68 HG22 THR 68 3.656 -2.654 8.511
514 HG23 THR 68 HG23 THR 68 2.514 -3.009 9.808
515 H VAL 69 HN VAL 69 2.083 -3.093 5.377
516 HA VAL 69 HA VAL 69 0.434 -2.389 3.264
517 HB VAL 69 HB VAL 69 0.165 -5.019 3.128
518 HG11 VAL 69 HG11 VAL 69 2.903 -3.703 3.070
519 HG12 VAL 69 HG12 VAL 69 1.743 -3.654 1.742
520 HG13 VAL 69 HG13 VAL 69 2.462 -5.189 2.233
521 HG21 VAL 69 HG21 VAL 69 2.325 -4.694 5.166
522 HG22 VAL 69 HG22 VAL 69 1.890 -6.188 4.332
523 HG23 VAL 69 HG23 VAL 69 0.739 -5.414 5.422
524 H GLY 70 HN GLY 70 -0.336 -4.116 6.275
525 HA2 GLY 70 HA2 GLY 70 -3.051 -4.538 5.633
526 HA3 GLY 70 HA1 GLY 70 -2.314 -4.679 7.223
527 H ASP 71 HN ASP 71 -1.296 -1.940 7.204
528 HA ASP 71 HA ASP 71 -3.580 -0.659 8.316
529 HB2 ASP 71 HB2 ASP 71 -1.042 -0.199 8.885
530 HB3 ASP 71 HB1 ASP 71 -1.096 0.755 7.431
531 H ALA 72 HN ALA 72 -1.695 -0.242 5.350
532 HA ALA 72 HA ALA 72 -3.159 1.810 4.164
533 HB1 ALA 72 HB1 ALA 72 -2.284 0.966 2.026
534 HB2 ALA 72 HB2 ALA 72 -1.794 -0.532 2.819
535 HB3 ALA 72 HB3 ALA 72 -1.026 0.994 3.263
536 H THR 73 HN THR 73 -3.463 -1.710 3.563
537 HA THR 73 HA THR 73 -5.761 -1.933 2.262
538 HB THR 73 HB THR 73 -4.685 -3.553 4.549
539 HG1 THR 73 HG1 THR 73 -3.260 -3.709 2.964
540 HG21 THR 73 HG21 THR 73 -6.063 -5.415 3.639
541 HG22 THR 73 HG22 THR 73 -6.803 -4.253 2.515
542 HG23 THR 73 HG23 THR 73 -7.052 -4.074 4.236
543 H LYS 74 HN LYS 74 -5.509 -1.587 5.838
544 HA LYS 74 HA LYS 74 -8.221 -1.891 6.390
545 HB2 LYS 74 HB2 LYS 74 -6.289 -1.987 8.003
546 HB3 LYS 74 HB1 LYS 74 -6.243 -0.234 7.956
547 HG2 LYS 74 HG2 LYS 74 -7.412 -1.102 9.921
548 HG3 LYS 74 HG1 LYS 74 -8.466 -0.120 8.894
549 HD2 LYS 74 HD2 LYS 74 -9.528 -2.041 7.997
550 HD3 LYS 74 HD1 LYS 74 -8.316 -3.116 8.688
551 HE2 LYS 74 HE2 LYS 74 -10.243 -1.437 10.281
552 HE3 LYS 74 HE1 LYS 74 -10.463 -3.150 9.905
553 HZ1 LYS 74 HZ1 LYS 74 -8.275 -1.955 11.531
554 HZ2 LYS 74 HZ2 LYS 74 -8.318 -3.552 10.983
555 HZ3 LYS 74 HZ3 LYS 74 -9.485 -3.028 12.060
556 H TYR 75 HN TYR 75 -6.353 0.945 5.509
557 HA TYR 75 HA TYR 75 -8.422 2.845 6.000
558 HB2 TYR 75 HB2 TYR 75 -6.084 3.558 5.900
559 HB3 TYR 75 HB1 TYR 75 -5.945 2.969 4.255
560 HD1 TYR 75 HD1 TYR 75 -7.268 5.625 6.399
561 HD2 TYR 75 HD2 TYR 75 -6.844 4.263 2.394
562 HE1 TYR 75 HE1 TYR 75 -7.898 7.846 5.591
563 HE2 TYR 75 HE2 TYR 75 -7.477 6.495 1.572
564 HH TYR 75 HH TYR 75 -8.783 8.457 2.435
565 H ILE 76 HN ILE 76 -7.282 1.036 3.227
566 HA ILE 76 HA ILE 76 -9.001 2.150 1.330
567 HB ILE 76 HB ILE 76 -7.652 -0.565 1.327
568 HG12 ILE 76 HG12 ILE 76 -6.710 2.028 0.108
569 HG13 ILE 76 HG11 ILE 76 -6.170 1.425 1.667
570 HG21 ILE 76 HG21 ILE 76 -9.449 -0.332 -0.360
571 HG22 ILE 76 HG22 ILE 76 -7.858 -0.417 -1.117
572 HG23 ILE 76 HG23 ILE 76 -8.681 1.137 -0.962
573 HD11 ILE 76 HD11 ILE 76 -5.248 -0.542 0.578
574 HD12 ILE 76 HD12 ILE 76 -4.560 0.952 -0.066
575 HD13 ILE 76 HD13 ILE 76 -5.785 0.073 -0.986
576 H LEU 77 HN LEU 77 -9.121 -0.760 3.294
577 HA LEU 77 HA LEU 77 -11.470 -1.993 2.573
578 HB2 LEU 77 HB2 LEU 77 -9.889 -2.794 4.274
579 HB3 LEU 77 HB1 LEU 77 -10.375 -1.501 5.345
580 HG LEU 77 HG LEU 77 -12.678 -2.520 5.338
581 HD11 LEU 77 HD11 LEU 77 -12.860 -4.853 4.727
582 HD12 LEU 77 HD12 LEU 77 -11.217 -4.811 4.091
583 HD13 LEU 77 HD13 LEU 77 -12.477 -3.833 3.340
584 HD21 LEU 77 HD21 LEU 77 -12.081 -4.245 6.958
585 HD22 LEU 77 HD22 LEU 77 -11.153 -2.764 7.205
586 HD23 LEU 77 HD23 LEU 77 -10.403 -4.156 6.425
587 H ASP 78 HN ASP 78 -10.949 0.751 4.577
588 HA ASP 78 HA ASP 78 -13.738 1.070 5.337
589 HB2 ASP 78 HB2 ASP 78 -11.967 1.588 6.942
590 HB3 ASP 78 HB1 ASP 78 -11.345 2.836 5.871
591 H HIS 79 HN HIS 79 -11.480 2.581 3.188
592 HA HIS 79 HA HIS 79 -13.328 4.707 2.447
593 HB2 HIS 79 HB2 HIS 79 -10.447 4.314 2.356
594 HB3 HIS 79 HB1 HIS 79 -11.056 5.274 1.033
595 HD1 HIS 79 HD1 HIS 79 -11.085 7.716 1.606
596 HD2 HIS 79 HD2 HIS 79 -11.511 5.319 4.974
597 HE1 HIS 79 HE1 HIS 79 -11.207 9.282 3.532
598 HE2 HIS 79 HE2 HIS 79 -11.151 7.809 5.549
599 H GLN 80 HN GLN 80 -13.034 1.733 1.391
600 HA GLN 80 HA GLN 80 -12.663 1.380 -1.239
601 HB2 GLN 80 HB2 GLN 80 -14.942 0.523 0.431
602 HB3 GLN 80 HB1 GLN 80 -14.803 -0.058 -1.238
603 HG2 GLN 80 HG2 GLN 80 -12.926 -0.483 1.076
604 HG3 GLN 80 HG1 GLN 80 -14.019 -1.671 0.372
605 HE21 GLN 80 HE21 GLN 80 -11.195 -1.743 0.727
606 HE22 GLN 80 HE22 GLN 80 -10.486 -1.989 -0.827
607 H ALA 81 HN ALA 81 -13.424 2.033 -3.178
608 HA ALA 81 HA ALA 81 -15.631 3.923 -3.217
609 HB1 ALA 81 HB1 ALA 81 -14.820 4.461 -5.472
610 HB2 ALA 81 HB2 ALA 81 -13.577 3.221 -5.316
611 HB3 ALA 81 HB3 ALA 81 -13.543 4.640 -4.269
612 H2 SHW 101 H2A SHW 101 3.124 5.720 3.587
613 H2A SHW 101 H2B SHW 101 4.422 5.240 2.495
614 H3 SHW 101 H3A SHW 101 3.512 3.738 4.994
615 HO3 SHW 101 HO3 SHW 101 5.658 3.445 3.243
616 H4 SHW 101 H4A SHW 101 2.685 2.080 3.370
617 H4A SHW 101 H4B SHW 101 3.159 3.137 2.052
618 H5 SHW 101 H5A SHW 101 1.558 4.822 2.858
619 H5A SHW 101 H5B SHW 101 1.044 3.695 4.112
620 H6 SHW 101 H6A SHW 101 -0.500 3.606 2.255
621 H6A SHW 101 H6B SHW 101 0.379 2.084 2.377
622 H7 SHW 101 H7A SHW 101 1.865 2.768 0.559
623 H7A SHW 101 H7B SHW 101 1.011 4.319 0.444
624 H8 SHW 101 H8C SHW 101 0.228 2.730 -1.247
625 H8A SHW 101 H8A SHW 101 -1.053 3.120 -0.100
626 H8B SHW 101 H8B SHW 101 -0.194 1.585 0.026
627 H28 SHW 101 H28A SHW 101 11.496 11.019 -1.274
628 H28A SHW 101 H28B SHW 101 10.521 9.731 -0.571
629 H30 SHW 101 H30A SHW 101 9.268 13.767 -0.365
630 H30A SHW 101 H30B SHW 101 10.778 13.325 -1.162
631 H30B SHW 101 H30C SHW 101 10.635 13.195 0.591
632 H31 SHW 101 H31A SHW 101 8.624 10.488 -1.982
633 H31A SHW 101 H31B SHW 101 9.610 11.796 -2.635
634 H31B SHW 101 H31C SHW 101 8.058 12.156 -1.876
635 H32 SHW 101 H32A SHW 101 8.985 11.683 1.631
636 HO33 SHW 101 H33A SHW 101 6.797 11.222 0.180
637 HN36 SHW 101 H36A SHW 101 9.881 9.516 1.806
638 H37 SHW 101 H37A SHW 101 7.790 7.428 1.665
639 H37A SHW 101 H37B SHW 101 9.323 7.105 0.881
640 H38 SHW 101 H38A SHW 101 9.306 6.039 3.002
641 H38A SHW 101 H38B SHW 101 10.483 7.366 3.074
642 HN41 SHW 101 H41A SHW 101 7.219 8.237 3.122
643 H42 SHW 101 H42A SHW 101 6.802 8.267 6.028
644 H42A SHW 101 H42B SHW 101 6.939 9.771 5.178
645 H43 SHW 101 H43A SHW 101 5.109 8.919 3.566
646 H43A SHW 101 H43B SHW 101 4.797 9.636 5.120
Start of MODEL 8
1 H1 ALA 1 HT1 ALA 1 -15.816 -1.866 -4.289
2 H2 ALA 1 HT2 ALA 1 -14.378 -1.076 -3.941
3 H3 ALA 1 HT3 ALA 1 -15.845 -0.431 -3.400
4 HA ALA 1 HA ALA 1 -14.545 -1.625 -1.657
5 HB1 ALA 1 HB1 ALA 1 -16.982 -1.438 -1.465
6 HB2 ALA 1 HB2 ALA 1 -16.405 -2.973 -0.818
7 HB3 ALA 1 HB3 ALA 1 -17.171 -2.918 -2.406
8 H ALA 2 HN ALA 2 -13.459 -3.644 -0.935
9 HA ALA 2 HA ALA 2 -13.595 -5.811 -2.788
10 HB1 ALA 2 HB1 ALA 2 -11.024 -4.285 -2.335
11 HB2 ALA 2 HB2 ALA 2 -11.914 -4.388 -3.856
12 HB3 ALA 2 HB3 ALA 2 -11.171 -5.834 -3.168
13 H THR 3 HN THR 3 -12.443 -7.624 -1.901
14 HA THR 3 HA THR 3 -12.697 -7.770 0.922
15 HB THR 3 HB THR 3 -11.237 -9.688 -0.903
16 HG1 THR 3 HG1 THR 3 -13.001 -9.975 -1.874
17 HG21 THR 3 HG21 THR 3 -12.888 -10.042 1.586
18 HG22 THR 3 HG22 THR 3 -11.124 -10.083 1.497
19 HG23 THR 3 HG23 THR 3 -12.078 -11.344 0.698
20 H GLN 4 HN GLN 4 -11.064 -7.515 2.364
21 HA GLN 4 HA GLN 4 -8.851 -5.973 1.800
22 HB2 GLN 4 HB2 GLN 4 -9.181 -7.864 4.103
23 HB3 GLN 4 HB1 GLN 4 -7.998 -6.565 4.005
24 HG2 GLN 4 HG2 GLN 4 -9.844 -4.944 3.778
25 HG3 GLN 4 HG1 GLN 4 -10.984 -6.237 3.966
26 HE21 GLN 4 HE21 GLN 4 -9.235 -7.664 5.947
27 HE22 GLN 4 HE22 GLN 4 -9.464 -6.793 7.407
28 H GLU 5 HN GLU 5 -9.105 -9.346 1.523
29 HA GLU 5 HA GLU 5 -6.345 -10.099 1.418
30 HB2 GLU 5 HB2 GLU 5 -8.629 -11.327 -0.117
31 HB3 GLU 5 HB1 GLU 5 -7.108 -12.088 0.323
32 HG2 GLU 5 HG2 GLU 5 -9.277 -11.235 2.210
33 HG3 GLU 5 HG1 GLU 5 -8.930 -12.883 1.696
34 H GLU 6 HN GLU 6 -8.609 -8.883 -0.961
35 HA GLU 6 HA GLU 6 -6.659 -9.148 -3.022
36 HB2 GLU 6 HB2 GLU 6 -8.975 -9.548 -3.625
37 HB3 GLU 6 HB1 GLU 6 -9.423 -7.945 -3.046
38 HG2 GLU 6 HG2 GLU 6 -8.211 -6.894 -4.812
39 HG3 GLU 6 HG1 GLU 6 -7.496 -8.424 -5.301
40 H ILE 7 HN ILE 7 -7.742 -6.769 -0.801
41 HA ILE 7 HA ILE 7 -6.696 -4.475 -2.082
42 HB ILE 7 HB ILE 7 -6.921 -5.055 0.874
43 HG12 ILE 7 HG12 ILE 7 -8.958 -3.854 -1.030
44 HG13 ILE 7 HG11 ILE 7 -9.054 -5.394 -0.212
45 HG21 ILE 7 HG21 ILE 7 -6.801 -2.443 -0.657
46 HG22 ILE 7 HG22 ILE 7 -5.520 -3.112 0.351
47 HG23 ILE 7 HG23 ILE 7 -7.037 -2.591 1.085
48 HD11 ILE 7 HD11 ILE 7 -9.177 -4.294 1.943
49 HD12 ILE 7 HD12 ILE 7 -10.466 -3.762 0.873
50 HD13 ILE 7 HD13 ILE 7 -9.066 -2.719 1.161
51 H VAL 8 HN VAL 8 -5.377 -6.382 0.644
52 HA VAL 8 HA VAL 8 -2.760 -5.461 0.532
53 HB VAL 8 HB VAL 8 -3.729 -8.231 1.347
54 HG11 VAL 8 HG11 VAL 8 -1.159 -6.822 2.038
55 HG12 VAL 8 HG12 VAL 8 -1.344 -8.215 0.969
56 HG13 VAL 8 HG13 VAL 8 -1.704 -8.375 2.690
57 HG21 VAL 8 HG21 VAL 8 -3.282 -5.747 2.998
58 HG22 VAL 8 HG22 VAL 8 -3.747 -7.329 3.629
59 HG23 VAL 8 HG23 VAL 8 -4.839 -6.434 2.575
60 H ALA 9 HN ALA 9 -4.289 -8.044 -1.362
61 HA ALA 9 HA ALA 9 -1.945 -8.978 -2.602
62 HB1 ALA 9 HB1 ALA 9 -4.751 -8.985 -3.725
63 HB2 ALA 9 HB2 ALA 9 -4.047 -10.237 -2.703
64 HB3 ALA 9 HB3 ALA 9 -3.403 -9.954 -4.322
65 H GLY 10 HN GLY 10 -4.283 -6.475 -3.529
66 HA2 GLY 10 HA2 GLY 10 -3.128 -5.695 -5.951
67 HA3 GLY 10 HA1 GLY 10 -4.140 -4.692 -4.913
68 H LEU 11 HN LEU 11 -2.631 -4.538 -2.623
69 HA LEU 11 HA LEU 11 -0.757 -2.587 -3.160
70 HB2 LEU 11 HB2 LEU 11 -1.144 -4.435 -0.826
71 HB3 LEU 11 HB1 LEU 11 -0.021 -3.107 -0.790
72 HG LEU 11 HG LEU 11 -3.017 -2.910 -1.079
73 HD11 LEU 11 HD11 LEU 11 -2.911 -1.892 1.140
74 HD12 LEU 11 HD12 LEU 11 -1.173 -2.185 1.190
75 HD13 LEU 11 HD13 LEU 11 -2.295 -3.543 1.155
76 HD21 LEU 11 HD21 LEU 11 -0.937 -0.734 -0.881
77 HD22 LEU 11 HD22 LEU 11 -2.683 -0.495 -0.864
78 HD23 LEU 11 HD23 LEU 11 -1.894 -1.129 -2.311
79 H ALA 12 HN ALA 12 -0.359 -6.018 -2.463
80 HA ALA 12 HA ALA 12 2.400 -6.200 -2.495
81 HB1 ALA 12 HB1 ALA 12 0.393 -8.279 -3.345
82 HB2 ALA 12 HB2 ALA 12 0.893 -7.949 -1.687
83 HB3 ALA 12 HB3 ALA 12 2.055 -8.586 -2.841
84 H GLU 13 HN GLU 13 0.111 -6.547 -5.178
85 HA GLU 13 HA GLU 13 2.157 -7.167 -7.040
86 HB2 GLU 13 HB2 GLU 13 0.497 -6.866 -8.835
87 HB3 GLU 13 HB1 GLU 13 -0.126 -7.877 -7.544
88 HG2 GLU 13 HG2 GLU 13 -1.406 -5.996 -6.696
89 HG3 GLU 13 HG1 GLU 13 -0.747 -4.971 -7.965
90 H ILE 14 HN ILE 14 0.692 -4.193 -6.144
91 HA ILE 14 HA ILE 14 1.946 -2.511 -8.021
92 HB ILE 14 HB ILE 14 0.899 -2.058 -5.222
93 HG12 ILE 14 HG12 ILE 14 -0.250 -1.194 -7.868
94 HG13 ILE 14 HG11 ILE 14 -0.637 -2.733 -7.106
95 HG21 ILE 14 HG21 ILE 14 1.787 0.011 -7.222
96 HG22 ILE 14 HG22 ILE 14 2.583 -0.369 -5.695
97 HG23 ILE 14 HG23 ILE 14 0.964 0.339 -5.694
98 HD11 ILE 14 HD11 ILE 14 -1.483 -1.599 -5.196
99 HD12 ILE 14 HD12 ILE 14 -2.331 -1.093 -6.663
100 HD13 ILE 14 HD13 ILE 14 -1.123 -0.020 -5.910
101 H VAL 15 HN VAL 15 2.829 -3.469 -4.725
102 HA VAL 15 HA VAL 15 5.258 -2.128 -4.530
103 HB VAL 15 HB VAL 15 4.379 -4.736 -3.258
104 HG11 VAL 15 HG11 VAL 15 6.835 -4.645 -3.255
105 HG12 VAL 15 HG12 VAL 15 6.190 -4.430 -1.629
106 HG13 VAL 15 HG13 VAL 15 6.778 -3.035 -2.537
107 HG21 VAL 15 HG21 VAL 15 4.539 -1.926 -2.206
108 HG22 VAL 15 HG22 VAL 15 4.058 -3.345 -1.274
109 HG23 VAL 15 HG23 VAL 15 3.071 -2.805 -2.632
110 H ASN 16 HN ASN 16 4.596 -5.361 -5.811
111 HA ASN 16 HA ASN 16 7.287 -5.996 -6.309
112 HB2 ASN 16 HB2 ASN 16 5.403 -7.626 -6.287
113 HB3 ASN 16 HB1 ASN 16 4.918 -7.011 -7.862
114 HD21 ASN 16 HD21 ASN 16 7.429 -8.629 -6.118
115 HD22 ASN 16 HD22 ASN 16 8.198 -9.400 -7.449
116 H GLU 17 HN GLU 17 4.968 -4.227 -8.194
117 HA GLU 17 HA GLU 17 6.628 -4.162 -10.531
118 HB2 GLU 17 HB2 GLU 17 4.194 -4.126 -10.735
119 HB3 GLU 17 HB1 GLU 17 4.126 -2.613 -9.848
120 HG2 GLU 17 HG2 GLU 17 5.237 -1.457 -11.639
121 HG3 GLU 17 HG1 GLU 17 5.493 -2.976 -12.501
122 H ILE 18 HN ILE 18 5.891 -1.857 -7.923
123 HA ILE 18 HA ILE 18 7.620 0.134 -9.174
124 HB ILE 18 HB ILE 18 5.949 0.312 -6.631
125 HG12 ILE 18 HG12 ILE 18 5.495 1.616 -9.266
126 HG13 ILE 18 HG11 ILE 18 4.755 0.039 -8.905
127 HG21 ILE 18 HG21 ILE 18 7.856 1.857 -6.632
128 HG22 ILE 18 HG22 ILE 18 6.326 2.714 -6.822
129 HG23 ILE 18 HG23 ILE 18 7.369 2.449 -8.221
130 HD11 ILE 18 HD11 ILE 18 4.342 2.695 -7.552
131 HD12 ILE 18 HD12 ILE 18 3.615 1.178 -7.021
132 HD13 ILE 18 HD13 ILE 18 3.202 1.850 -8.597
133 H ALA 19 HN ALA 19 7.486 -1.542 -6.002
134 HA ALA 19 HA ALA 19 10.023 -0.492 -5.127
135 HB1 ALA 19 HB1 ALA 19 8.282 -1.059 -3.531
136 HB2 ALA 19 HB2 ALA 19 9.735 -2.019 -3.243
137 HB3 ALA 19 HB3 ALA 19 8.342 -2.745 -4.047
138 H GLY 20 HN GLY 20 8.771 -3.485 -6.470
139 HA2 GLY 20 HA2 GLY 20 9.958 -5.033 -7.799
140 HA3 GLY 20 HA1 GLY 20 11.472 -4.358 -7.206
141 H ILE 21 HN ILE 21 9.080 -4.961 -4.910
142 HA ILE 21 HA ILE 21 10.705 -7.103 -3.756
143 HB ILE 21 HB ILE 21 8.603 -5.306 -2.509
144 HG12 ILE 21 HG12 ILE 21 10.615 -4.077 -3.033
145 HG13 ILE 21 HG11 ILE 21 10.503 -4.298 -1.294
146 HG21 ILE 21 HG21 ILE 21 9.298 -6.197 -0.333
147 HG22 ILE 21 HG22 ILE 21 10.354 -7.350 -1.149
148 HG23 ILE 21 HG23 ILE 21 8.608 -7.448 -1.369
149 HD11 ILE 21 HD11 ILE 21 12.144 -6.106 -1.422
150 HD12 ILE 21 HD12 ILE 21 12.783 -4.597 -2.076
151 HD13 ILE 21 HD13 ILE 21 12.256 -5.879 -3.169
152 HA PRO 22 HA PRO 22 7.941 -10.510 -4.726
153 HB2 PRO 22 HB2 PRO 22 8.079 -11.213 -1.934
154 HB3 PRO 22 HB1 PRO 22 8.785 -12.033 -3.327
155 HG2 PRO 22 HG2 PRO 22 10.014 -10.114 -1.467
156 HG3 PRO 22 HG1 PRO 22 10.789 -11.291 -2.540
157 HD2 PRO 22 HD2 PRO 22 10.943 -8.668 -3.066
158 HD3 PRO 22 HD1 PRO 22 10.705 -9.872 -4.365
159 H VAL 23 HN VAL 23 5.941 -10.541 -4.948
160 HA VAL 23 HA VAL 23 3.969 -8.916 -3.730
161 HB VAL 23 HB VAL 23 3.708 -11.606 -5.134
162 HG11 VAL 23 HG11 VAL 23 1.674 -11.073 -3.950
163 HG12 VAL 23 HG12 VAL 23 1.425 -10.942 -5.690
164 HG13 VAL 23 HG13 VAL 23 1.618 -9.485 -4.717
165 HG21 VAL 23 HG21 VAL 23 3.559 -8.835 -6.290
166 HG22 VAL 23 HG22 VAL 23 3.226 -10.331 -7.162
167 HG23 VAL 23 HG23 VAL 23 4.847 -10.010 -6.545
168 H GLU 24 HN GLU 24 5.362 -11.922 -3.146
169 HA GLU 24 HA GLU 24 3.368 -12.650 -1.267
170 HB2 GLU 24 HB2 GLU 24 5.596 -14.296 -2.410
171 HB3 GLU 24 HB1 GLU 24 4.419 -14.901 -1.246
172 HG2 GLU 24 HG2 GLU 24 2.610 -14.388 -2.785
173 HG3 GLU 24 HG1 GLU 24 3.773 -13.770 -3.953
174 H ASP 25 HN ASP 25 6.045 -10.874 -1.015
175 HA ASP 25 HA ASP 25 6.598 -11.902 1.664
176 HB2 ASP 25 HB2 ASP 25 8.561 -11.311 0.164
177 HB3 ASP 25 HB1 ASP 25 8.043 -9.633 0.268
178 H VAL 26 HN VAL 26 4.785 -9.815 -0.057
179 HA VAL 26 HA VAL 26 4.485 -7.724 1.892
180 HB VAL 26 HB VAL 26 3.008 -8.324 -0.706
181 HG11 VAL 26 HG11 VAL 26 1.566 -7.127 0.854
182 HG12 VAL 26 HG12 VAL 26 2.034 -6.161 -0.544
183 HG13 VAL 26 HG13 VAL 26 2.807 -5.863 1.033
184 HG21 VAL 26 HG21 VAL 26 4.220 -6.399 -1.563
185 HG22 VAL 26 HG22 VAL 26 5.351 -7.622 -0.956
186 HG23 VAL 26 HG23 VAL 26 4.987 -6.183 0.005
187 H LYS 27 HN LYS 27 4.112 -9.350 3.510
188 HA LYS 27 HA LYS 27 1.513 -10.570 3.770
189 HB2 LYS 27 HB2 LYS 27 3.828 -10.177 5.664
190 HB3 LYS 27 HB1 LYS 27 2.453 -11.242 5.887
191 HG2 LYS 27 HG2 LYS 27 4.490 -11.519 3.695
192 HG3 LYS 27 HG1 LYS 27 4.533 -12.430 5.214
193 HD2 LYS 27 HD2 LYS 27 2.282 -13.331 4.628
194 HD3 LYS 27 HD1 LYS 27 2.412 -12.508 3.071
195 HE2 LYS 27 HE2 LYS 27 4.421 -13.786 2.556
196 HE3 LYS 27 HE1 LYS 27 4.318 -14.591 4.119
197 HZ1 LYS 27 HZ1 LYS 27 2.116 -15.431 3.406
198 HZ2 LYS 27 HZ2 LYS 27 3.397 -16.044 2.538
199 HZ3 LYS 27 HZ3 LYS 27 2.410 -14.831 1.849
200 H LEU 28 HN LEU 28 0.435 -10.027 5.940
201 HA LEU 28 HA LEU 28 -0.206 -7.222 5.555
202 HB2 LEU 28 HB2 LEU 28 -1.885 -9.124 5.601
203 HB3 LEU 28 HB1 LEU 28 -1.562 -9.215 7.316
204 HG LEU 28 HG LEU 28 -2.434 -6.626 6.216
205 HD11 LEU 28 HD11 LEU 28 -4.231 -9.002 6.694
206 HD12 LEU 28 HD12 LEU 28 -3.878 -8.244 5.135
207 HD13 LEU 28 HD13 LEU 28 -4.794 -7.354 6.362
208 HD21 LEU 28 HD21 LEU 28 -1.956 -6.856 8.616
209 HD22 LEU 28 HD22 LEU 28 -3.157 -8.147 8.737
210 HD23 LEU 28 HD23 LEU 28 -3.662 -6.500 8.345
211 H ASP 29 HN ASP 29 1.960 -8.644 7.463
212 HA ASP 29 HA ASP 29 1.574 -6.666 9.555
213 HB2 ASP 29 HB2 ASP 29 2.919 -8.092 10.921
214 HB3 ASP 29 HB1 ASP 29 1.528 -8.992 10.345
215 H LYS 30 HN LYS 30 2.771 -6.611 6.808
216 HA LYS 30 HA LYS 30 5.602 -6.080 7.368
217 HB2 LYS 30 HB2 LYS 30 4.026 -6.310 4.837
218 HB3 LYS 30 HB1 LYS 30 5.687 -5.766 4.867
219 HG2 LYS 30 HG2 LYS 30 4.743 -8.434 5.903
220 HG3 LYS 30 HG1 LYS 30 5.349 -8.165 4.271
221 HD2 LYS 30 HD2 LYS 30 7.487 -7.373 5.256
222 HD3 LYS 30 HD1 LYS 30 6.857 -7.800 6.852
223 HE2 LYS 30 HE2 LYS 30 6.622 -10.122 6.149
224 HE3 LYS 30 HE1 LYS 30 7.199 -9.699 4.537
225 HZ1 LYS 30 HZ1 LYS 30 8.783 -9.388 7.027
226 HZ2 LYS 30 HZ2 LYS 30 9.334 -9.168 5.437
227 HZ3 LYS 30 HZ3 LYS 30 8.911 -10.695 5.957
228 H SER 31 HN SER 31 6.492 -4.086 7.269
229 HA SER 31 HA SER 31 4.766 -1.862 6.509
230 HB2 SER 31 HB2 SER 31 5.928 -1.649 8.679
231 HB3 SER 31 HB1 SER 31 7.482 -1.886 7.881
232 HG SER 31 HG SER 31 5.649 0.256 7.549
233 H PHE 32 HN PHE 32 4.888 -1.368 4.493
234 HA PHE 32 HA PHE 32 6.369 -2.012 2.419
235 HB2 PHE 32 HB2 PHE 32 5.533 0.791 3.054
236 HB3 PHE 32 HB1 PHE 32 6.097 0.287 1.473
237 HD1 PHE 32 HD1 PHE 32 4.769 -1.574 0.324
238 HD2 PHE 32 HD2 PHE 32 3.338 0.604 3.667
239 HE1 PHE 32 HE1 PHE 32 2.489 -2.246 -0.233
240 HE2 PHE 32 HE2 PHE 32 1.047 -0.045 3.128
241 HZ PHE 32 HZ PHE 32 0.601 -1.469 1.148
242 H THR 33 HN THR 33 7.435 1.208 3.580
243 HA THR 33 HA THR 33 10.052 0.629 2.652
244 HB THR 33 HB THR 33 10.244 3.034 3.858
245 HG1 THR 33 HG1 THR 33 8.290 3.950 3.929
246 HG21 THR 33 HG21 THR 33 9.058 2.347 1.169
247 HG22 THR 33 HG22 THR 33 10.763 2.407 1.548
248 HG23 THR 33 HG23 THR 33 9.800 3.888 1.598
249 H ASP 34 HN ASP 34 9.755 -1.150 4.593
250 HA ASP 34 HA ASP 34 11.987 -0.508 6.279
251 HB2 ASP 34 HB2 ASP 34 10.185 0.461 7.593
252 HB3 ASP 34 HB1 ASP 34 9.300 -1.053 7.531
253 H ASP 35 HN ASP 35 9.245 -2.724 6.330
254 HA ASP 35 HA ASP 35 10.906 -5.022 6.814
255 HB2 ASP 35 HB2 ASP 35 7.963 -4.683 6.277
256 HB3 ASP 35 HB1 ASP 35 8.652 -6.267 6.466
257 H LEU 36 HN LEU 36 8.957 -3.823 4.172
258 HA LEU 36 HA LEU 36 9.726 -5.978 2.399
259 HB2 LEU 36 HB2 LEU 36 8.303 -3.381 1.814
260 HB3 LEU 36 HB1 LEU 36 8.448 -4.736 0.714
261 HG LEU 36 HG LEU 36 6.974 -4.797 3.343
262 HD11 LEU 36 HD11 LEU 36 5.949 -4.650 0.514
263 HD12 LEU 36 HD12 LEU 36 5.877 -3.360 1.713
264 HD13 LEU 36 HD13 LEU 36 4.962 -4.849 1.963
265 HD21 LEU 36 HD21 LEU 36 7.888 -6.960 2.701
266 HD22 LEU 36 HD22 LEU 36 7.157 -6.804 1.102
267 HD23 LEU 36 HD23 LEU 36 6.133 -6.942 2.529
268 H ASP 37 HN ASP 37 10.271 -2.559 2.687
269 HA ASP 37 HA ASP 37 11.871 -1.158 2.202
270 HB2 ASP 37 HB2 ASP 37 13.619 -2.831 2.765
271 HB3 ASP 37 HB1 ASP 37 13.554 -3.439 1.111
272 H VAL 38 HN VAL 38 10.743 -0.080 0.944
273 HA VAL 38 HA VAL 38 10.436 -0.852 -1.849
274 HB VAL 38 HB VAL 38 9.029 1.337 -0.240
275 HG11 VAL 38 HG11 VAL 38 8.465 0.412 -3.062
276 HG12 VAL 38 HG12 VAL 38 9.158 1.968 -2.608
277 HG13 VAL 38 HG13 VAL 38 7.501 1.569 -2.142
278 HG21 VAL 38 HG21 VAL 38 8.377 -0.900 0.433
279 HG22 VAL 38 HG22 VAL 38 8.023 -1.320 -1.242
280 HG23 VAL 38 HG23 VAL 38 7.056 -0.097 -0.417
281 H ASP 39 HN ASP 39 10.475 2.396 -0.749
282 HA ASP 39 HA ASP 39 13.019 3.331 -1.209
283 HB2 ASP 39 HB2 ASP 39 12.306 2.520 -3.705
284 HB3 ASP 39 HB1 ASP 39 11.248 3.924 -3.492
285 H SER 40 HN SER 40 12.559 5.747 -1.886
286 HA SER 40 HA SER 40 10.363 6.482 -0.093
287 HB2 SER 40 HB2 SER 40 12.723 7.306 0.427
288 HB3 SER 40 HB1 SER 40 12.578 8.341 -1.004
289 H LEU 41 HN LEU 41 11.632 6.802 -3.259
290 HA LEU 41 HA LEU 41 9.689 8.814 -4.057
291 HB2 LEU 41 HB2 LEU 41 11.636 7.222 -5.724
292 HB3 LEU 41 HB1 LEU 41 10.667 8.565 -6.296
293 HG LEU 41 HG LEU 41 12.892 8.704 -4.270
294 HD11 LEU 41 HD11 LEU 41 14.035 10.006 -5.988
295 HD12 LEU 41 HD12 LEU 41 12.692 9.720 -7.094
296 HD13 LEU 41 HD13 LEU 41 13.677 8.368 -6.535
297 HD21 LEU 41 HD21 LEU 41 11.154 10.900 -5.403
298 HD22 LEU 41 HD22 LEU 41 12.561 11.134 -4.366
299 HD23 LEU 41 HD23 LEU 41 11.133 10.311 -3.740
300 H SER 42 HN SER 42 10.321 5.450 -4.336
301 HA SER 42 HA SER 42 8.275 4.812 -6.177
302 HB2 SER 42 HB2 SER 42 9.664 3.043 -4.169
303 HB3 SER 42 HB1 SER 42 8.799 2.521 -5.616
304 HG SER 42 HG SER 42 10.981 2.579 -6.025
305 H MET 43 HN MET 43 8.465 5.203 -2.727
306 HA MET 43 HA MET 43 6.234 3.811 -1.830
307 HB2 MET 43 HB2 MET 43 7.815 4.823 -0.335
308 HB3 MET 43 HB1 MET 43 7.369 6.429 -0.894
309 HG2 MET 43 HG2 MET 43 6.404 5.796 1.284
310 HG3 MET 43 HG1 MET 43 5.215 6.253 0.050
311 HE1 MET 43 HE1 MET 43 7.023 3.112 1.682
312 HE2 MET 43 HE2 MET 43 7.166 3.040 -0.062
313 HE3 MET 43 HE3 MET 43 6.176 1.839 0.782
314 H VAL 44 HN VAL 44 6.552 7.147 -2.966
315 HA VAL 44 HA VAL 44 3.891 7.916 -2.631
316 HB VAL 44 HB VAL 44 5.891 9.000 -4.638
317 HG11 VAL 44 HG11 VAL 44 3.628 9.778 -5.066
318 HG12 VAL 44 HG12 VAL 44 4.632 11.095 -4.460
319 HG13 VAL 44 HG13 VAL 44 3.475 10.304 -3.389
320 HG21 VAL 44 HG21 VAL 44 6.853 8.993 -2.402
321 HG22 VAL 44 HG22 VAL 44 5.430 9.813 -1.767
322 HG23 VAL 44 HG23 VAL 44 6.489 10.643 -2.909
323 H GLU 45 HN GLU 45 5.554 6.189 -5.254
324 HA GLU 45 HA GLU 45 3.453 6.598 -7.094
325 HB2 GLU 45 HB2 GLU 45 5.675 4.548 -7.134
326 HB3 GLU 45 HB1 GLU 45 4.677 5.036 -8.497
327 HG2 GLU 45 HG2 GLU 45 6.732 6.693 -7.052
328 HG3 GLU 45 HG1 GLU 45 6.814 6.076 -8.702
329 H VAL 46 HN VAL 46 4.371 4.176 -4.751
330 HA VAL 46 HA VAL 46 2.452 2.219 -5.446
331 HB VAL 46 HB VAL 46 3.663 2.805 -2.696
332 HG11 VAL 46 HG11 VAL 46 1.650 1.431 -2.509
333 HG12 VAL 46 HG12 VAL 46 3.093 0.491 -2.135
334 HG13 VAL 46 HG13 VAL 46 2.300 0.305 -3.700
335 HG21 VAL 46 HG21 VAL 46 4.506 0.823 -4.808
336 HG22 VAL 46 HG22 VAL 46 5.218 0.980 -3.203
337 HG23 VAL 46 HG23 VAL 46 5.366 2.297 -4.366
338 H VAL 47 HN VAL 47 2.403 4.910 -3.143
339 HA VAL 47 HA VAL 47 -0.186 4.713 -2.148
340 HB VAL 47 HB VAL 47 1.362 7.261 -2.800
341 HG11 VAL 47 HG11 VAL 47 -0.018 8.342 -1.099
342 HG12 VAL 47 HG12 VAL 47 -0.938 6.851 -0.891
343 HG13 VAL 47 HG13 VAL 47 -1.013 7.723 -2.416
344 HG21 VAL 47 HG21 VAL 47 1.219 5.659 -0.254
345 HG22 VAL 47 HG22 VAL 47 2.050 7.201 -0.455
346 HG23 VAL 47 HG23 VAL 47 2.607 5.776 -1.335
347 H VAL 48 HN VAL 48 0.814 6.877 -4.789
348 HA VAL 48 HA VAL 48 -1.613 7.525 -5.905
349 HB VAL 48 HB VAL 48 1.027 7.024 -7.319
350 HG11 VAL 48 HG11 VAL 48 0.159 8.375 -9.165
351 HG12 VAL 48 HG12 VAL 48 -1.416 8.447 -8.373
352 HG13 VAL 48 HG13 VAL 48 -0.791 6.904 -8.952
353 HG21 VAL 48 HG21 VAL 48 1.082 8.775 -5.632
354 HG22 VAL 48 HG22 VAL 48 -0.315 9.555 -6.377
355 HG23 VAL 48 HG23 VAL 48 1.213 9.466 -7.251
356 H ALA 49 HN ALA 49 0.258 4.565 -6.629
357 HA ALA 49 HA ALA 49 -1.482 3.638 -8.646
358 HB1 ALA 49 HB1 ALA 49 0.387 2.008 -6.939
359 HB2 ALA 49 HB2 ALA 49 0.827 2.845 -8.429
360 HB3 ALA 49 HB3 ALA 49 -0.330 1.513 -8.472
361 H ALA 50 HN ALA 50 -1.578 3.324 -5.169
362 HA ALA 50 HA ALA 50 -3.482 1.229 -5.050
363 HB1 ALA 50 HB1 ALA 50 -3.906 1.981 -2.763
364 HB2 ALA 50 HB2 ALA 50 -3.023 3.476 -3.084
365 HB3 ALA 50 HB3 ALA 50 -2.175 1.933 -3.090
366 H GLU 51 HN GLU 51 -3.730 4.724 -5.351
367 HA GLU 51 HA GLU 51 -6.510 4.993 -5.096
368 HB2 GLU 51 HB2 GLU 51 -4.665 6.587 -6.860
369 HB3 GLU 51 HB1 GLU 51 -6.232 7.074 -6.246
370 HG2 GLU 51 HG2 GLU 51 -5.314 7.088 -3.982
371 HG3 GLU 51 HG1 GLU 51 -3.734 6.648 -4.642
372 H GLU 52 HN GLU 52 -4.378 4.330 -7.736
373 HA GLU 52 HA GLU 52 -6.356 4.497 -9.774
374 HB2 GLU 52 HB2 GLU 52 -3.941 5.009 -10.036
375 HB3 GLU 52 HB1 GLU 52 -3.599 3.297 -9.843
376 HG2 GLU 52 HG2 GLU 52 -3.569 3.995 -12.181
377 HG3 GLU 52 HG1 GLU 52 -4.835 2.807 -11.867
378 H ARG 53 HN ARG 53 -5.112 1.969 -7.746
379 HA ARG 53 HA ARG 53 -6.128 -0.153 -9.441
380 HB2 ARG 53 HB2 ARG 53 -3.996 -0.364 -8.145
381 HB3 ARG 53 HB1 ARG 53 -4.942 -0.332 -6.668
382 HG2 ARG 53 HG2 ARG 53 -4.532 -2.593 -7.000
383 HG3 ARG 53 HG1 ARG 53 -6.157 -2.384 -7.648
384 HD2 ARG 53 HD2 ARG 53 -3.597 -2.493 -9.253
385 HD3 ARG 53 HD1 ARG 53 -4.766 -3.792 -9.098
386 HE ARG 53 HE ARG 53 -6.317 -1.951 -10.173
387 HH11 ARG 53 HH11 ARG 53 -2.966 -2.777 -11.042
388 HH12 ARG 53 HH12 ARG 53 -3.122 -2.318 -12.663
389 HH21 ARG 53 HH21 ARG 53 -6.537 -1.315 -12.320
390 HH22 ARG 53 HH22 ARG 53 -5.240 -1.379 -13.445
391 H PHE 54 HN PHE 54 -6.825 1.236 -6.236
392 HA PHE 54 HA PHE 54 -9.085 -0.597 -5.964
393 HB2 PHE 54 HB2 PHE 54 -7.882 1.301 -3.966
394 HB3 PHE 54 HB1 PHE 54 -9.108 0.082 -3.629
395 HD1 PHE 54 HD1 PHE 54 -8.047 -2.275 -5.013
396 HD2 PHE 54 HD2 PHE 54 -6.023 0.733 -2.791
397 HE1 PHE 54 HE1 PHE 54 -6.250 -3.863 -4.497
398 HE2 PHE 54 HE2 PHE 54 -4.231 -0.864 -2.257
399 HZ PHE 54 HZ PHE 54 -4.339 -3.149 -3.129
400 H ASP 55 HN ASP 55 -8.503 2.530 -6.971
401 HA ASP 55 HA ASP 55 -9.766 4.220 -7.686
402 HB2 ASP 55 HB2 ASP 55 -11.394 2.414 -8.401
403 HB3 ASP 55 HB1 ASP 55 -12.248 2.669 -6.885
404 H VAL 56 HN VAL 56 -9.210 3.566 -4.749
405 HA VAL 56 HA VAL 56 -10.916 5.583 -3.511
406 HB VAL 56 HB VAL 56 -10.780 3.488 -2.270
407 HG11 VAL 56 HG11 VAL 56 -8.681 2.713 -1.270
408 HG12 VAL 56 HG12 VAL 56 -7.810 3.921 -2.223
409 HG13 VAL 56 HG13 VAL 56 -8.691 2.622 -3.031
410 HG21 VAL 56 HG21 VAL 56 -10.996 5.478 -0.968
411 HG22 VAL 56 HG22 VAL 56 -9.243 5.684 -0.919
412 HG23 VAL 56 HG23 VAL 56 -10.000 4.311 -0.102
413 H LYS 57 HN LYS 57 -10.165 7.498 -2.949
414 HA LYS 57 HA LYS 57 -7.558 8.316 -3.863
415 HB2 LYS 57 HB2 LYS 57 -9.812 9.777 -2.513
416 HB3 LYS 57 HB1 LYS 57 -8.319 10.561 -2.989
417 HG2 LYS 57 HG2 LYS 57 -10.236 9.147 -4.848
418 HG3 LYS 57 HG1 LYS 57 -10.121 10.896 -4.627
419 HD2 LYS 57 HD2 LYS 57 -7.831 9.160 -5.547
420 HD3 LYS 57 HD1 LYS 57 -8.921 10.012 -6.643
421 HE2 LYS 57 HE2 LYS 57 -8.235 12.136 -5.785
422 HE3 LYS 57 HE1 LYS 57 -7.311 11.386 -4.491
423 HZ1 LYS 57 HZ1 LYS 57 -6.704 10.991 -7.352
424 HZ2 LYS 57 HZ2 LYS 57 -5.747 10.587 -5.993
425 HZ3 LYS 57 HZ3 LYS 57 -6.031 12.218 -6.403
426 H ILE 58 HN ILE 58 -5.851 7.994 -2.781
427 HA ILE 58 HA ILE 58 -5.854 8.423 0.124
428 HB ILE 58 HB ILE 58 -4.110 6.368 -1.280
429 HG12 ILE 58 HG12 ILE 58 -6.605 5.792 0.338
430 HG13 ILE 58 HG11 ILE 58 -6.523 5.715 -1.418
431 HG21 ILE 58 HG21 ILE 58 -3.237 7.231 0.844
432 HG22 ILE 58 HG22 ILE 58 -3.733 5.543 1.028
433 HG23 ILE 58 HG23 ILE 58 -4.756 6.824 1.645
434 HD11 ILE 58 HD11 ILE 58 -4.861 3.945 -1.261
435 HD12 ILE 58 HD12 ILE 58 -6.352 3.516 -0.415
436 HD13 ILE 58 HD13 ILE 58 -4.936 4.031 0.498
437 HA PRO 59 HA PRO 59 -2.590 10.906 -1.770
438 HB2 PRO 59 HB2 PRO 59 -2.887 13.092 -0.238
439 HB3 PRO 59 HB1 PRO 59 -3.966 12.750 -1.594
440 HG2 PRO 59 HG2 PRO 59 -4.448 12.484 1.319
441 HG3 PRO 59 HG1 PRO 59 -5.586 12.855 0.014
442 HD2 PRO 59 HD2 PRO 59 -5.187 10.349 1.257
443 HD3 PRO 59 HD1 PRO 59 -6.133 10.668 -0.210
444 H ASP 60 HN ASP 60 -0.556 11.576 -0.990
445 HA ASP 60 HA ASP 60 0.746 10.266 1.035
446 HB2 ASP 60 HB2 ASP 60 2.124 11.428 -0.465
447 HB3 ASP 60 HB1 ASP 60 1.251 12.936 -0.244
448 H ASP 61 HN ASP 61 -1.154 13.128 1.319
449 HA ASP 61 HA ASP 61 -0.577 14.048 3.888
450 HB2 ASP 61 HB2 ASP 61 -2.142 15.162 2.322
451 HB3 ASP 61 HB1 ASP 61 -3.320 13.888 2.617
452 H ASP 62 HN ASP 62 -2.943 11.597 2.945
453 HA ASP 62 HA ASP 62 -3.574 10.902 5.721
454 HB2 ASP 62 HB2 ASP 62 -4.577 9.766 3.100
455 HB3 ASP 62 HB1 ASP 62 -5.110 9.235 4.686
456 H VAL 63 HN VAL 63 -1.726 9.684 3.127
457 HA VAL 63 HA VAL 63 -1.588 7.041 3.955
458 HB VAL 63 HB VAL 63 -0.736 8.293 1.782
459 HG11 VAL 63 HG11 VAL 63 1.129 9.450 2.714
460 HG12 VAL 63 HG12 VAL 63 1.686 8.258 1.538
461 HG13 VAL 63 HG13 VAL 63 1.839 7.931 3.265
462 HG21 VAL 63 HG21 VAL 63 0.406 5.726 2.802
463 HG22 VAL 63 HG22 VAL 63 0.423 6.273 1.118
464 HG23 VAL 63 HG23 VAL 63 -1.113 5.960 1.930
465 H LYS 64 HN LYS 64 -0.100 9.801 5.256
466 HA LYS 64 HA LYS 64 2.106 8.624 6.464
467 HB2 LYS 64 HB2 LYS 64 0.657 11.109 7.343
468 HB3 LYS 64 HB1 LYS 64 2.276 10.639 7.832
469 HG2 LYS 64 HG2 LYS 64 3.027 10.826 5.510
470 HG3 LYS 64 HG1 LYS 64 1.401 11.322 5.036
471 HD2 LYS 64 HD2 LYS 64 1.627 13.187 6.724
472 HD3 LYS 64 HD1 LYS 64 3.335 12.761 6.824
473 HE2 LYS 64 HE2 LYS 64 1.846 13.636 4.353
474 HE3 LYS 64 HE1 LYS 64 2.965 14.614 5.288
475 HZ1 LYS 64 HZ1 LYS 64 4.725 12.909 4.660
476 HZ2 LYS 64 HZ2 LYS 64 4.089 13.881 3.455
477 HZ3 LYS 64 HZ3 LYS 64 3.603 12.300 3.510
478 H ASN 65 HN ASN 65 -1.084 8.166 7.151
479 HA ASN 65 HA ASN 65 -0.758 7.744 10.052
480 HB2 ASN 65 HB2 ASN 65 -3.244 7.774 8.321
481 HB3 ASN 65 HB1 ASN 65 -3.229 7.476 10.051
482 HD21 ASN 65 HD21 ASN 65 -2.856 9.824 7.548
483 HD22 ASN 65 HD22 ASN 65 -2.943 11.227 8.559
484 H LEU 66 HN LEU 66 -0.249 6.020 7.349
485 HA LEU 66 HA LEU 66 -1.775 3.688 8.218
486 HB2 LEU 66 HB2 LEU 66 -0.295 4.099 5.631
487 HB3 LEU 66 HB1 LEU 66 -1.351 2.758 6.049
488 HG LEU 66 HG LEU 66 -2.229 5.637 5.750
489 HD11 LEU 66 HD11 LEU 66 -3.385 4.880 3.737
490 HD12 LEU 66 HD12 LEU 66 -2.639 3.291 3.915
491 HD13 LEU 66 HD13 LEU 66 -1.635 4.708 3.608
492 HD21 LEU 66 HD21 LEU 66 -3.611 4.432 7.357
493 HD22 LEU 66 HD22 LEU 66 -3.844 3.130 6.187
494 HD23 LEU 66 HD23 LEU 66 -4.508 4.719 5.864
495 H LYS 67 HN LYS 67 1.451 4.120 6.788
496 HA LYS 67 HA LYS 67 3.332 3.176 6.944
497 HB2 LYS 67 HB2 LYS 67 4.432 2.786 9.208
498 HB3 LYS 67 HB1 LYS 67 3.879 4.393 8.819
499 HG2 LYS 67 HG2 LYS 67 3.399 4.017 11.087
500 HG3 LYS 67 HG1 LYS 67 1.867 3.929 10.231
501 HD2 LYS 67 HD2 LYS 67 2.005 1.466 10.306
502 HD3 LYS 67 HD1 LYS 67 3.517 1.601 11.214
503 HE2 LYS 67 HE2 LYS 67 0.864 2.728 12.062
504 HE3 LYS 67 HE1 LYS 67 1.557 1.224 12.666
505 HZ1 LYS 67 HZ1 LYS 67 2.866 3.902 12.984
506 HZ2 LYS 67 HZ2 LYS 67 3.352 2.431 13.677
507 HZ3 LYS 67 HZ3 LYS 67 1.923 3.155 14.156
508 H THR 68 HN THR 68 0.976 1.039 7.897
509 HA THR 68 HA THR 68 2.804 -1.034 7.001
510 HB THR 68 HB THR 68 1.106 -2.524 8.466
511 HG1 THR 68 HG1 THR 68 0.001 -1.191 9.779
512 HG21 THR 68 HG21 THR 68 2.841 -2.567 10.218
513 HG22 THR 68 HG22 THR 68 3.560 -1.108 9.536
514 HG23 THR 68 HG23 THR 68 3.550 -2.604 8.603
515 H VAL 69 HN VAL 69 1.813 -2.863 5.967
516 HA VAL 69 HA VAL 69 0.176 -2.134 3.820
517 HB VAL 69 HB VAL 69 -0.088 -4.704 3.511
518 HG11 VAL 69 HG11 VAL 69 1.682 -3.366 2.384
519 HG12 VAL 69 HG12 VAL 69 2.265 -4.962 2.858
520 HG13 VAL 69 HG13 VAL 69 2.697 -3.546 3.815
521 HG21 VAL 69 HG21 VAL 69 1.462 -6.002 4.819
522 HG22 VAL 69 HG22 VAL 69 0.172 -5.298 5.784
523 HG23 VAL 69 HG23 VAL 69 1.791 -4.589 5.818
524 H GLY 70 HN GLY 70 -0.728 -4.126 6.636
525 HA2 GLY 70 HA2 GLY 70 -3.419 -4.474 5.978
526 HA3 GLY 70 HA1 GLY 70 -2.748 -4.576 7.598
527 H ASP 71 HN ASP 71 -1.797 -1.885 7.635
528 HA ASP 71 HA ASP 71 -4.194 -0.606 8.487
529 HB2 ASP 71 HB2 ASP 71 -1.354 0.374 8.323
530 HB3 ASP 71 HB1 ASP 71 -2.682 1.361 8.930
531 H ALA 72 HN ALA 72 -2.018 -0.219 5.755
532 HA ALA 72 HA ALA 72 -3.295 1.947 4.526
533 HB1 ALA 72 HB1 ALA 72 -2.369 1.063 2.410
534 HB2 ALA 72 HB2 ALA 72 -1.991 -0.458 3.218
535 HB3 ALA 72 HB3 ALA 72 -1.165 1.024 3.700
536 H THR 73 HN THR 73 -3.735 -1.528 3.895
537 HA THR 73 HA THR 73 -6.006 -1.696 2.513
538 HB THR 73 HB THR 73 -5.087 -3.335 4.862
539 HG1 THR 73 HG1 THR 73 -3.484 -3.413 3.445
540 HG21 THR 73 HG21 THR 73 -6.293 -5.195 3.788
541 HG22 THR 73 HG22 THR 73 -6.896 -4.082 2.555
542 HG23 THR 73 HG23 THR 73 -7.397 -3.892 4.233
543 H LYS 74 HN LYS 74 -5.781 -1.239 6.061
544 HA LYS 74 HA LYS 74 -8.484 -1.519 6.694
545 HB2 LYS 74 HB2 LYS 74 -6.425 -1.379 8.234
546 HB3 LYS 74 HB1 LYS 74 -6.616 0.364 8.123
547 HG2 LYS 74 HG2 LYS 74 -7.645 -0.421 10.139
548 HG3 LYS 74 HG1 LYS 74 -8.912 0.115 9.027
549 HD2 LYS 74 HD2 LYS 74 -9.343 -2.163 8.353
550 HD3 LYS 74 HD1 LYS 74 -8.007 -2.740 9.347
551 HE2 LYS 74 HE2 LYS 74 -9.206 -1.905 11.350
552 HE3 LYS 74 HE1 LYS 74 -10.561 -1.463 10.307
553 HZ1 LYS 74 HZ1 LYS 74 -10.846 -3.752 9.695
554 HZ2 LYS 74 HZ2 LYS 74 -10.809 -3.689 11.389
555 HZ3 LYS 74 HZ3 LYS 74 -9.447 -4.189 10.523
556 H TYR 75 HN TYR 75 -6.640 1.275 5.608
557 HA TYR 75 HA TYR 75 -8.705 3.213 6.013
558 HB2 TYR 75 HB2 TYR 75 -6.304 3.817 5.930
559 HB3 TYR 75 HB1 TYR 75 -6.226 3.262 4.267
560 HD1 TYR 75 HD1 TYR 75 -7.330 5.944 6.503
561 HD2 TYR 75 HD2 TYR 75 -7.147 4.642 2.449
562 HE1 TYR 75 HE1 TYR 75 -7.845 8.225 5.747
563 HE2 TYR 75 HE2 TYR 75 -7.665 6.908 1.685
564 HH TYR 75 HH TYR 75 -7.610 9.614 3.825
565 H ILE 76 HN ILE 76 -7.386 1.404 3.358
566 HA ILE 76 HA ILE 76 -8.966 2.300 1.272
567 HB ILE 76 HB ILE 76 -7.676 -0.421 1.677
568 HG12 ILE 76 HG12 ILE 76 -6.652 2.027 0.229
569 HG13 ILE 76 HG11 ILE 76 -6.158 1.536 1.842
570 HG21 ILE 76 HG21 ILE 76 -8.573 0.936 -0.874
571 HG22 ILE 76 HG22 ILE 76 -9.382 -0.409 -0.087
572 HG23 ILE 76 HG23 ILE 76 -7.762 -0.629 -0.754
573 HD11 ILE 76 HD11 ILE 76 -4.511 0.921 0.172
574 HD12 ILE 76 HD12 ILE 76 -5.725 -0.034 -0.684
575 HD13 ILE 76 HD13 ILE 76 -5.209 -0.508 0.933
576 H LEU 77 HN LEU 77 -9.386 -0.538 3.380
577 HA LEU 77 HA LEU 77 -11.817 -1.446 2.272
578 HB2 LEU 77 HB2 LEU 77 -10.314 -2.723 3.801
579 HB3 LEU 77 HB1 LEU 77 -10.890 -1.744 5.126
580 HG LEU 77 HG LEU 77 -11.813 -4.076 4.873
581 HD11 LEU 77 HD11 LEU 77 -14.108 -3.478 5.560
582 HD12 LEU 77 HD12 LEU 77 -13.812 -1.820 5.032
583 HD13 LEU 77 HD13 LEU 77 -12.888 -2.497 6.373
584 HD21 LEU 77 HD21 LEU 77 -12.201 -4.121 2.502
585 HD22 LEU 77 HD22 LEU 77 -13.372 -2.809 2.633
586 HD23 LEU 77 HD23 LEU 77 -13.728 -4.379 3.349
587 H ASP 78 HN ASP 78 -11.159 0.959 4.609
588 HA ASP 78 HA ASP 78 -13.948 1.282 5.373
589 HB2 ASP 78 HB2 ASP 78 -12.306 1.799 7.052
590 HB3 ASP 78 HB1 ASP 78 -11.525 2.968 5.992
591 H HIS 79 HN HIS 79 -11.672 2.891 3.353
592 HA HIS 79 HA HIS 79 -13.529 4.969 2.587
593 HB2 HIS 79 HB2 HIS 79 -10.644 4.491 2.367
594 HB3 HIS 79 HB1 HIS 79 -11.294 5.546 1.150
595 HD1 HIS 79 HD1 HIS 79 -11.425 7.942 1.869
596 HD2 HIS 79 HD2 HIS 79 -11.191 5.360 5.107
597 HE1 HIS 79 HE1 HIS 79 -11.269 9.416 3.901
598 HE2 HIS 79 HE2 HIS 79 -11.405 7.827 5.834
599 H GLN 80 HN GLN 80 -13.208 1.900 1.620
600 HA GLN 80 HA GLN 80 -12.913 1.471 -0.933
601 HB2 GLN 80 HB2 GLN 80 -15.061 0.616 0.868
602 HB3 GLN 80 HB1 GLN 80 -15.090 0.078 -0.812
603 HG2 GLN 80 HG2 GLN 80 -13.027 -0.417 1.311
604 HG3 GLN 80 HG1 GLN 80 -14.097 -1.592 0.555
605 HE21 GLN 80 HE21 GLN 80 -11.287 -1.635 0.751
606 HE22 GLN 80 HE22 GLN 80 -10.666 -1.678 -0.863
607 H ALA 81 HN ALA 81 -13.491 2.167 -2.776
608 HA ALA 81 HA ALA 81 -15.989 3.593 -3.061
609 HB1 ALA 81 HB1 ALA 81 -15.042 4.299 -5.248
610 HB2 ALA 81 HB2 ALA 81 -13.587 3.371 -4.888
611 HB3 ALA 81 HB3 ALA 81 -14.011 4.765 -3.894
612 H2 SHW 101 H2A SHW 101 2.109 5.800 3.837
613 H2A SHW 101 H2B SHW 101 3.430 4.862 3.174
614 H3 SHW 101 H3A SHW 101 1.683 3.886 5.445
615 HO3 SHW 101 HO3 SHW 101 3.954 3.087 4.966
616 H4 SHW 101 H4A SHW 101 0.311 4.029 3.501
617 H4A SHW 101 H4B SHW 101 0.682 2.349 3.828
618 H5 SHW 101 H5A SHW 101 2.307 2.320 2.043
619 H5A SHW 101 H5B SHW 101 1.997 4.033 1.721
620 H6 SHW 101 H6A SHW 101 -0.347 3.503 1.261
621 H6A SHW 101 H6B SHW 101 -0.013 1.794 1.553
622 H7 SHW 101 H7A SHW 101 1.544 1.763 -0.311
623 H7A SHW 101 H7B SHW 101 1.227 3.487 -0.600
624 H8 SHW 101 H8C SHW 101 -0.096 2.066 -2.077
625 H8A SHW 101 H8A SHW 101 -1.131 2.962 -0.968
626 H8B SHW 101 H8B SHW 101 -0.795 1.256 -0.677
627 H28 SHW 101 H28A SHW 101 10.460 12.007 -0.469
628 H28A SHW 101 H28B SHW 101 9.592 10.486 -0.279
629 H30 SHW 101 H30A SHW 101 9.594 14.050 0.369
630 H30A SHW 101 H30B SHW 101 9.764 13.388 1.994
631 H30B SHW 101 H30C SHW 101 8.227 14.089 1.483
632 H31 SHW 101 H31A SHW 101 6.838 12.882 -0.262
633 H31A SHW 101 H31B SHW 101 7.447 11.376 -0.942
634 H31B SHW 101 H31C SHW 101 8.248 12.901 -1.321
635 H32 SHW 101 H32A SHW 101 8.403 11.430 2.737
636 HO33 SHW 101 H33A SHW 101 5.934 11.308 1.744
637 HN36 SHW 101 H36A SHW 101 9.399 9.473 1.913
638 H37 SHW 101 H37A SHW 101 7.429 7.392 1.131
639 H37A SHW 101 H37B SHW 101 9.005 7.514 0.396
640 H38 SHW 101 H38A SHW 101 9.141 5.769 1.911
641 H38A SHW 101 H38B SHW 101 10.042 7.110 2.673
642 HN41 SHW 101 H41A SHW 101 6.966 7.966 2.955
643 H42 SHW 101 H42A SHW 101 5.994 6.201 4.941
644 H42A SHW 101 H42B SHW 101 6.539 7.760 5.589
645 H43 SHW 101 H43A SHW 101 4.566 7.395 3.330
646 H43A SHW 101 H43B SHW 101 4.862 8.901 4.245
Start of MODEL 9
1 H1 ALA 1 HT1 ALA 1 -17.503 -2.827 -1.663
2 H2 ALA 1 HT2 ALA 1 -18.037 -2.306 -0.138
3 H3 ALA 1 HT3 ALA 1 -17.744 -3.975 -0.440
4 HA ALA 1 HA ALA 1 -15.724 -1.831 -0.481
5 HB1 ALA 1 HB1 ALA 1 -14.834 -2.920 1.523
6 HB2 ALA 1 HB2 ALA 1 -16.173 -4.069 1.503
7 HB3 ALA 1 HB3 ALA 1 -16.484 -2.358 1.799
8 H ALA 2 HN ALA 2 -13.514 -3.180 -0.156
9 HA ALA 2 HA ALA 2 -13.588 -5.191 -2.271
10 HB1 ALA 2 HB1 ALA 2 -11.309 -3.356 -1.462
11 HB2 ALA 2 HB2 ALA 2 -12.294 -3.187 -2.913
12 HB3 ALA 2 HB3 ALA 2 -11.244 -4.592 -2.717
13 H THR 3 HN THR 3 -12.435 -7.110 -1.825
14 HA THR 3 HA THR 3 -12.566 -7.976 0.781
15 HB THR 3 HB THR 3 -10.759 -9.267 -1.168
16 HG1 THR 3 HG1 THR 3 -12.432 -9.665 -2.595
17 HG21 THR 3 HG21 THR 3 -11.592 -10.344 0.847
18 HG22 THR 3 HG22 THR 3 -12.244 -11.156 -0.597
19 HG23 THR 3 HG23 THR 3 -13.238 -10.005 0.325
20 H GLN 4 HN GLN 4 -11.092 -7.653 2.376
21 HA GLN 4 HA GLN 4 -8.958 -5.912 2.237
22 HB2 GLN 4 HB2 GLN 4 -9.399 -8.140 4.205
23 HB3 GLN 4 HB1 GLN 4 -8.222 -6.854 4.410
24 HG2 GLN 4 HG2 GLN 4 -10.036 -5.204 4.353
25 HG3 GLN 4 HG1 GLN 4 -11.175 -6.520 4.150
26 HE21 GLN 4 HE21 GLN 4 -8.922 -5.058 6.418
27 HE22 GLN 4 HE22 GLN 4 -9.583 -5.820 7.801
28 H GLU 5 HN GLU 5 -9.014 -9.320 1.769
29 HA GLU 5 HA GLU 5 -6.158 -9.835 1.776
30 HB2 GLU 5 HB2 GLU 5 -8.416 -11.443 0.561
31 HB3 GLU 5 HB1 GLU 5 -6.768 -12.004 0.798
32 HG2 GLU 5 HG2 GLU 5 -8.676 -11.216 2.984
33 HG3 GLU 5 HG1 GLU 5 -8.308 -12.868 2.485
34 H GLU 6 HN GLU 6 -8.528 -8.921 -0.540
35 HA GLU 6 HA GLU 6 -6.868 -9.320 -2.823
36 HB2 GLU 6 HB2 GLU 6 -9.301 -9.585 -2.936
37 HB3 GLU 6 HB1 GLU 6 -9.516 -7.921 -2.432
38 HG2 GLU 6 HG2 GLU 6 -8.601 -7.133 -4.500
39 HG3 GLU 6 HG1 GLU 6 -8.209 -8.783 -4.993
40 H ILE 7 HN ILE 7 -7.746 -6.783 -0.628
41 HA ILE 7 HA ILE 7 -6.634 -4.615 -2.041
42 HB ILE 7 HB ILE 7 -6.890 -4.994 0.946
43 HG12 ILE 7 HG12 ILE 7 -8.901 -3.936 -1.072
44 HG13 ILE 7 HG11 ILE 7 -9.023 -5.350 -0.075
45 HG21 ILE 7 HG21 ILE 7 -6.695 -2.503 -0.761
46 HG22 ILE 7 HG22 ILE 7 -5.441 -3.138 0.304
47 HG23 ILE 7 HG23 ILE 7 -6.947 -2.522 0.984
48 HD11 ILE 7 HD11 ILE 7 -8.968 -2.547 1.000
49 HD12 ILE 7 HD12 ILE 7 -9.175 -4.031 1.935
50 HD13 ILE 7 HD13 ILE 7 -10.410 -3.538 0.776
51 H VAL 8 HN VAL 8 -5.392 -6.530 0.712
52 HA VAL 8 HA VAL 8 -2.779 -5.590 0.630
53 HB VAL 8 HB VAL 8 -3.839 -8.275 1.611
54 HG11 VAL 8 HG11 VAL 8 -1.751 -8.518 2.851
55 HG12 VAL 8 HG12 VAL 8 -1.110 -7.073 2.052
56 HG13 VAL 8 HG13 VAL 8 -1.496 -8.517 1.106
57 HG21 VAL 8 HG21 VAL 8 -3.025 -5.775 3.072
58 HG22 VAL 8 HG22 VAL 8 -3.612 -7.257 3.827
59 HG23 VAL 8 HG23 VAL 8 -4.673 -6.300 2.792
60 H ALA 9 HN ALA 9 -4.272 -8.159 -1.286
61 HA ALA 9 HA ALA 9 -1.881 -9.087 -2.438
62 HB1 ALA 9 HB1 ALA 9 -3.924 -10.437 -2.488
63 HB2 ALA 9 HB2 ALA 9 -3.312 -10.167 -4.122
64 HB3 ALA 9 HB3 ALA 9 -4.692 -9.244 -3.536
65 H GLY 10 HN GLY 10 -4.260 -6.644 -3.317
66 HA2 GLY 10 HA2 GLY 10 -3.258 -5.952 -5.847
67 HA3 GLY 10 HA1 GLY 10 -4.246 -4.934 -4.795
68 H LEU 11 HN LEU 11 -2.722 -4.673 -2.629
69 HA LEU 11 HA LEU 11 -0.851 -2.721 -3.287
70 HB2 LEU 11 HB2 LEU 11 -1.128 -4.400 -0.807
71 HB3 LEU 11 HB1 LEU 11 -0.024 -3.048 -0.945
72 HG LEU 11 HG LEU 11 -3.033 -2.870 -1.161
73 HD11 LEU 11 HD11 LEU 11 -2.306 -3.410 1.095
74 HD12 LEU 11 HD12 LEU 11 -2.896 -1.751 1.006
75 HD13 LEU 11 HD13 LEU 11 -1.162 -2.069 1.060
76 HD21 LEU 11 HD21 LEU 11 -2.662 -0.453 -1.065
77 HD22 LEU 11 HD22 LEU 11 -1.890 -1.165 -2.482
78 HD23 LEU 11 HD23 LEU 11 -0.919 -0.717 -1.080
79 H ALA 12 HN ALA 12 -0.415 -6.140 -2.530
80 HA ALA 12 HA ALA 12 2.359 -6.272 -2.575
81 HB1 ALA 12 HB1 ALA 12 0.420 -8.412 -3.424
82 HB2 ALA 12 HB2 ALA 12 0.916 -8.071 -1.767
83 HB3 ALA 12 HB3 ALA 12 2.097 -8.656 -2.934
84 H GLU 13 HN GLU 13 0.066 -6.630 -5.234
85 HA GLU 13 HA GLU 13 2.149 -7.160 -7.087
86 HB2 GLU 13 HB2 GLU 13 0.484 -6.891 -8.915
87 HB3 GLU 13 HB1 GLU 13 -0.047 -7.999 -7.667
88 HG2 GLU 13 HG2 GLU 13 -1.460 -6.216 -6.736
89 HG3 GLU 13 HG1 GLU 13 -0.954 -5.158 -8.048
90 H ILE 14 HN ILE 14 0.580 -4.256 -6.161
91 HA ILE 14 HA ILE 14 1.792 -2.435 -7.928
92 HB ILE 14 HB ILE 14 0.895 -2.204 -5.048
93 HG12 ILE 14 HG12 ILE 14 -0.412 -1.130 -7.536
94 HG13 ILE 14 HG11 ILE 14 -0.758 -2.728 -6.878
95 HG21 ILE 14 HG21 ILE 14 2.540 -0.466 -5.452
96 HG22 ILE 14 HG22 ILE 14 0.921 0.231 -5.330
97 HG23 ILE 14 HG23 ILE 14 1.681 0.030 -6.910
98 HD11 ILE 14 HD11 ILE 14 -2.404 -1.099 -6.197
99 HD12 ILE 14 HD12 ILE 14 -1.125 -0.136 -5.413
100 HD13 ILE 14 HD13 ILE 14 -1.489 -1.781 -4.852
101 H VAL 15 HN VAL 15 2.782 -3.661 -4.767
102 HA VAL 15 HA VAL 15 5.197 -2.281 -4.555
103 HB VAL 15 HB VAL 15 4.358 -4.920 -3.328
104 HG11 VAL 15 HG11 VAL 15 6.157 -4.593 -1.699
105 HG12 VAL 15 HG12 VAL 15 6.717 -3.179 -2.597
106 HG13 VAL 15 HG13 VAL 15 6.802 -4.786 -3.331
107 HG21 VAL 15 HG21 VAL 15 4.008 -3.579 -1.322
108 HG22 VAL 15 HG22 VAL 15 3.012 -3.027 -2.670
109 HG23 VAL 15 HG23 VAL 15 4.460 -2.130 -2.220
110 H ASN 16 HN ASN 16 4.556 -5.513 -5.893
111 HA ASN 16 HA ASN 16 7.277 -6.047 -6.462
112 HB2 ASN 16 HB2 ASN 16 5.450 -7.761 -6.390
113 HB3 ASN 16 HB1 ASN 16 4.894 -7.140 -7.941
114 HD21 ASN 16 HD21 ASN 16 7.490 -8.762 -6.306
115 HD22 ASN 16 HD22 ASN 16 8.207 -9.474 -7.716
116 H GLU 17 HN GLU 17 4.803 -4.409 -8.238
117 HA GLU 17 HA GLU 17 6.165 -4.083 -10.682
118 HB2 GLU 17 HB2 GLU 17 3.787 -3.899 -10.558
119 HB3 GLU 17 HB1 GLU 17 3.884 -2.657 -9.329
120 HG2 GLU 17 HG2 GLU 17 3.177 -1.795 -11.469
121 HG3 GLU 17 HG1 GLU 17 4.701 -1.070 -10.961
122 H ILE 18 HN ILE 18 5.697 -1.849 -7.943
123 HA ILE 18 HA ILE 18 7.461 0.108 -9.187
124 HB ILE 18 HB ILE 18 5.842 0.293 -6.628
125 HG12 ILE 18 HG12 ILE 18 5.280 1.489 -9.299
126 HG13 ILE 18 HG11 ILE 18 4.583 -0.077 -8.834
127 HG21 ILE 18 HG21 ILE 18 7.143 2.421 -8.336
128 HG22 ILE 18 HG22 ILE 18 7.741 1.858 -6.777
129 HG23 ILE 18 HG23 ILE 18 6.190 2.686 -6.871
130 HD11 ILE 18 HD11 ILE 18 3.005 1.721 -8.547
131 HD12 ILE 18 HD12 ILE 18 4.160 2.618 -7.562
132 HD13 ILE 18 HD13 ILE 18 3.479 1.102 -6.967
133 H ALA 19 HN ALA 19 7.294 -1.525 -6.002
134 HA ALA 19 HA ALA 19 9.827 -0.505 -5.093
135 HB1 ALA 19 HB1 ALA 19 9.521 -2.061 -3.236
136 HB2 ALA 19 HB2 ALA 19 8.146 -2.790 -4.066
137 HB3 ALA 19 HB3 ALA 19 8.064 -1.113 -3.528
138 H GLY 20 HN GLY 20 8.597 -3.527 -6.380
139 HA2 GLY 20 HA2 GLY 20 9.746 -5.078 -7.720
140 HA3 GLY 20 HA1 GLY 20 11.268 -4.324 -7.255
141 H ILE 21 HN ILE 21 8.687 -5.405 -5.129
142 HA ILE 21 HA ILE 21 10.568 -7.315 -3.880
143 HB ILE 21 HB ILE 21 8.314 -5.745 -2.574
144 HG12 ILE 21 HG12 ILE 21 10.131 -4.222 -3.109
145 HG13 ILE 21 HG11 ILE 21 10.068 -4.480 -1.374
146 HG21 ILE 21 HG21 ILE 21 10.369 -7.537 -1.291
147 HG22 ILE 21 HG22 ILE 21 8.650 -7.876 -1.462
148 HG23 ILE 21 HG23 ILE 21 9.191 -6.550 -0.429
149 HD11 ILE 21 HD11 ILE 21 12.016 -5.754 -3.286
150 HD12 ILE 21 HD12 ILE 21 11.963 -6.024 -1.544
151 HD13 ILE 21 HD13 ILE 21 12.361 -4.425 -2.178
152 HA PRO 22 HA PRO 22 7.929 -10.890 -4.867
153 HB2 PRO 22 HB2 PRO 22 7.993 -11.492 -2.054
154 HB3 PRO 22 HB1 PRO 22 8.770 -12.347 -3.387
155 HG2 PRO 22 HG2 PRO 22 9.891 -10.334 -1.553
156 HG3 PRO 22 HG1 PRO 22 10.734 -11.523 -2.561
157 HD2 PRO 22 HD2 PRO 22 10.847 -8.915 -3.162
158 HD3 PRO 22 HD1 PRO 22 10.662 -10.158 -4.437
159 H VAL 23 HN VAL 23 5.966 -10.995 -5.158
160 HA VAL 23 HA VAL 23 3.992 -9.296 -3.959
161 HB VAL 23 HB VAL 23 3.436 -11.843 -5.520
162 HG11 VAL 23 HG11 VAL 23 1.409 -10.721 -6.287
163 HG12 VAL 23 HG12 VAL 23 1.802 -9.333 -5.270
164 HG13 VAL 23 HG13 VAL 23 1.456 -10.897 -4.531
165 HG21 VAL 23 HG21 VAL 23 3.988 -9.113 -6.659
166 HG22 VAL 23 HG22 VAL 23 3.428 -10.517 -7.574
167 HG23 VAL 23 HG23 VAL 23 5.013 -10.541 -6.805
168 H GLU 24 HN GLU 24 5.501 -11.913 -2.834
169 HA GLU 24 HA GLU 24 3.231 -12.777 -1.350
170 HB2 GLU 24 HB2 GLU 24 4.378 -14.935 -0.963
171 HB3 GLU 24 HB1 GLU 24 4.069 -14.572 -2.654
172 HG2 GLU 24 HG2 GLU 24 6.420 -13.814 -2.860
173 HG3 GLU 24 HG1 GLU 24 6.680 -14.339 -1.194
174 H ASP 25 HN ASP 25 6.041 -11.019 -1.023
175 HA ASP 25 HA ASP 25 6.486 -11.784 1.773
176 HB2 ASP 25 HB2 ASP 25 8.437 -11.214 0.164
177 HB3 ASP 25 HB1 ASP 25 7.895 -9.548 0.301
178 H VAL 26 HN VAL 26 4.813 -9.727 -0.155
179 HA VAL 26 HA VAL 26 4.514 -7.489 1.664
180 HB VAL 26 HB VAL 26 3.025 -8.060 -0.918
181 HG11 VAL 26 HG11 VAL 26 3.501 -5.475 0.555
182 HG12 VAL 26 HG12 VAL 26 1.978 -6.384 0.479
183 HG13 VAL 26 HG13 VAL 26 2.658 -5.677 -0.989
184 HG21 VAL 26 HG21 VAL 26 5.410 -8.034 -1.359
185 HG22 VAL 26 HG22 VAL 26 5.564 -6.496 -0.511
186 HG23 VAL 26 HG23 VAL 26 4.642 -6.585 -2.014
187 H LYS 27 HN LYS 27 3.868 -9.363 3.130
188 HA LYS 27 HA LYS 27 1.036 -9.926 3.107
189 HB2 LYS 27 HB2 LYS 27 1.829 -11.083 5.302
190 HB3 LYS 27 HB1 LYS 27 2.179 -11.857 3.753
191 HG2 LYS 27 HG2 LYS 27 4.425 -10.807 3.865
192 HG3 LYS 27 HG1 LYS 27 4.036 -10.226 5.488
193 HD2 LYS 27 HD2 LYS 27 3.798 -12.503 6.277
194 HD3 LYS 27 HD1 LYS 27 4.010 -13.121 4.637
195 HE2 LYS 27 HE2 LYS 27 6.267 -12.150 4.589
196 HE3 LYS 27 HE1 LYS 27 6.063 -11.628 6.263
197 HZ1 LYS 27 HZ1 LYS 27 5.879 -13.955 6.922
198 HZ2 LYS 27 HZ2 LYS 27 7.317 -13.743 6.043
199 HZ3 LYS 27 HZ3 LYS 27 5.972 -14.439 5.317
200 H LEU 28 HN LEU 28 0.163 -9.696 5.557
201 HA LEU 28 HA LEU 28 -0.206 -6.878 5.566
202 HB2 LEU 28 HB2 LEU 28 -1.882 -8.766 5.935
203 HB3 LEU 28 HB1 LEU 28 -1.292 -8.788 7.579
204 HG LEU 28 HG LEU 28 -2.235 -6.193 6.528
205 HD11 LEU 28 HD11 LEU 28 -4.035 -8.486 7.251
206 HD12 LEU 28 HD12 LEU 28 -3.821 -7.769 5.648
207 HD13 LEU 28 HD13 LEU 28 -4.553 -6.818 6.951
208 HD21 LEU 28 HD21 LEU 28 -3.156 -5.995 8.773
209 HD22 LEU 28 HD22 LEU 28 -1.447 -6.422 8.844
210 HD23 LEU 28 HD23 LEU 28 -2.680 -7.656 9.140
211 H ASP 29 HN ASP 29 2.136 -8.518 6.898
212 HA ASP 29 HA ASP 29 2.512 -7.255 9.488
213 HB2 ASP 29 HB2 ASP 29 3.157 -9.530 9.133
214 HB3 ASP 29 HB1 ASP 29 4.091 -9.066 7.710
215 H LYS 30 HN LYS 30 3.072 -6.548 6.248
216 HA LYS 30 HA LYS 30 5.712 -5.502 6.655
217 HB2 LYS 30 HB2 LYS 30 4.063 -5.656 4.206
218 HB3 LYS 30 HB1 LYS 30 5.754 -5.140 4.237
219 HG2 LYS 30 HG2 LYS 30 4.586 -7.834 4.906
220 HG3 LYS 30 HG1 LYS 30 5.759 -7.445 3.644
221 HD2 LYS 30 HD2 LYS 30 7.465 -7.049 5.224
222 HD3 LYS 30 HD1 LYS 30 6.340 -7.050 6.575
223 HE2 LYS 30 HE2 LYS 30 5.871 -9.486 5.940
224 HE3 LYS 30 HE1 LYS 30 7.305 -9.369 4.918
225 HZ1 LYS 30 HZ1 LYS 30 7.177 -8.893 7.832
226 HZ2 LYS 30 HZ2 LYS 30 8.561 -8.685 6.914
227 HZ3 LYS 30 HZ3 LYS 30 7.898 -10.242 7.133
228 H SER 31 HN SER 31 6.405 -3.609 7.020
229 HA SER 31 HA SER 31 4.648 -1.357 7.187
230 HB2 SER 31 HB2 SER 31 6.883 -0.541 8.156
231 HB3 SER 31 HB1 SER 31 5.983 -1.747 9.083
232 HG SER 31 HG SER 31 8.223 -2.259 8.803
233 H PHE 32 HN PHE 32 5.819 -2.445 4.547
234 HA PHE 32 HA PHE 32 6.753 -1.720 2.639
235 HB2 PHE 32 HB2 PHE 32 5.703 0.802 3.795
236 HB3 PHE 32 HB1 PHE 32 6.528 0.875 2.251
237 HD1 PHE 32 HD1 PHE 32 5.595 -0.758 0.424
238 HD2 PHE 32 HD2 PHE 32 3.523 0.245 3.987
239 HE1 PHE 32 HE1 PHE 32 3.456 -1.418 -0.634
240 HE2 PHE 32 HE2 PHE 32 1.392 -0.416 2.932
241 HZ PHE 32 HZ PHE 32 1.445 -1.486 0.650
242 H THR 33 HN THR 33 7.875 1.376 3.549
243 HA THR 33 HA THR 33 10.554 0.630 3.080
244 HB THR 33 HB THR 33 10.814 3.108 3.878
245 HG1 THR 33 HG1 THR 33 8.639 3.060 4.759
246 HG21 THR 33 HG21 THR 33 9.304 2.282 1.386
247 HG22 THR 33 HG22 THR 33 11.038 2.267 1.577
248 HG23 THR 33 HG23 THR 33 10.169 3.803 1.595
249 H ASP 34 HN ASP 34 10.114 -0.931 4.974
250 HA ASP 34 HA ASP 34 11.833 -0.141 7.098
251 HB2 ASP 34 HB2 ASP 34 9.814 0.776 8.047
252 HB3 ASP 34 HB1 ASP 34 8.907 -0.696 7.728
253 H ASP 35 HN ASP 35 9.383 -2.485 6.100
254 HA ASP 35 HA ASP 35 11.229 -4.627 6.948
255 HB2 ASP 35 HB2 ASP 35 8.757 -4.470 7.763
256 HB3 ASP 35 HB1 ASP 35 8.371 -5.124 6.182
257 H LEU 36 HN LEU 36 9.184 -3.634 4.218
258 HA LEU 36 HA LEU 36 10.085 -5.740 2.487
259 HB2 LEU 36 HB2 LEU 36 8.692 -3.131 1.874
260 HB3 LEU 36 HB1 LEU 36 8.987 -4.395 0.703
261 HG LEU 36 HG LEU 36 7.238 -4.686 3.148
262 HD11 LEU 36 HD11 LEU 36 6.293 -3.119 1.524
263 HD12 LEU 36 HD12 LEU 36 5.382 -4.630 1.560
264 HD13 LEU 36 HD13 LEU 36 6.512 -4.313 0.244
265 HD21 LEU 36 HD21 LEU 36 6.516 -6.751 2.072
266 HD22 LEU 36 HD22 LEU 36 8.247 -6.781 2.411
267 HD23 LEU 36 HD23 LEU 36 7.675 -6.484 0.769
268 H ASP 37 HN ASP 37 10.814 -2.376 3.019
269 HA ASP 37 HA ASP 37 12.480 -1.020 2.556
270 HB2 ASP 37 HB2 ASP 37 14.000 -2.974 3.203
271 HB3 ASP 37 HB1 ASP 37 14.130 -3.322 1.480
272 H VAL 38 HN VAL 38 11.677 0.158 1.176
273 HA VAL 38 HA VAL 38 11.329 -0.811 -1.567
274 HB VAL 38 HB VAL 38 9.708 1.272 -0.029
275 HG11 VAL 38 HG11 VAL 38 9.748 1.831 -2.393
276 HG12 VAL 38 HG12 VAL 38 8.153 1.272 -1.893
277 HG13 VAL 38 HG13 VAL 38 9.220 0.197 -2.799
278 HG21 VAL 38 HG21 VAL 38 8.969 -1.516 -0.902
279 HG22 VAL 38 HG22 VAL 38 7.889 -0.356 -0.128
280 HG23 VAL 38 HG23 VAL 38 9.281 -0.984 0.750
281 H ASP 39 HN ASP 39 10.987 2.513 -0.556
282 HA ASP 39 HA ASP 39 13.308 3.808 -0.949
283 HB2 ASP 39 HB2 ASP 39 13.045 2.695 -3.396
284 HB3 ASP 39 HB1 ASP 39 11.758 3.905 -3.513
285 H SER 40 HN SER 40 12.415 6.068 -2.082
286 HA SER 40 HA SER 40 9.854 6.456 -0.727
287 HB2 SER 40 HB2 SER 40 10.510 8.821 -0.534
288 HB3 SER 40 HB1 SER 40 11.511 7.698 0.380
289 H LEU 41 HN LEU 41 11.666 6.900 -3.568
290 HA LEU 41 HA LEU 41 9.765 8.574 -4.930
291 HB2 LEU 41 HB2 LEU 41 11.832 6.688 -6.078
292 HB3 LEU 41 HB1 LEU 41 11.028 7.986 -6.936
293 HG LEU 41 HG LEU 41 12.939 8.361 -4.635
294 HD11 LEU 41 HD11 LEU 41 14.479 9.199 -6.333
295 HD12 LEU 41 HD12 LEU 41 13.323 8.766 -7.594
296 HD13 LEU 41 HD13 LEU 41 14.066 7.508 -6.604
297 HD21 LEU 41 HD21 LEU 41 11.270 10.134 -4.792
298 HD22 LEU 41 HD22 LEU 41 11.655 10.356 -6.500
299 HD23 LEU 41 HD23 LEU 41 12.865 10.720 -5.267
300 H SER 42 HN SER 42 10.500 5.261 -4.552
301 HA SER 42 HA SER 42 8.540 4.173 -6.264
302 HB2 SER 42 HB2 SER 42 10.623 3.007 -5.566
303 HB3 SER 42 HB1 SER 42 10.033 2.980 -3.910
304 HG SER 42 HG SER 42 9.447 1.383 -6.025
305 H MET 43 HN MET 43 8.747 5.047 -2.853
306 HA MET 43 HA MET 43 6.445 3.875 -1.825
307 HB2 MET 43 HB2 MET 43 8.174 4.880 -0.448
308 HB3 MET 43 HB1 MET 43 7.743 6.476 -1.043
309 HG2 MET 43 HG2 MET 43 6.870 5.947 1.201
310 HG3 MET 43 HG1 MET 43 5.631 6.387 0.014
311 HE1 MET 43 HE1 MET 43 6.537 1.973 0.911
312 HE2 MET 43 HE2 MET 43 7.420 3.275 1.719
313 HE3 MET 43 HE3 MET 43 7.530 3.099 -0.028
314 H VAL 44 HN VAL 44 6.939 7.103 -3.202
315 HA VAL 44 HA VAL 44 4.371 8.081 -2.870
316 HB VAL 44 HB VAL 44 6.456 8.816 -4.956
317 HG11 VAL 44 HG11 VAL 44 5.245 10.933 -5.174
318 HG12 VAL 44 HG12 VAL 44 4.009 10.343 -4.066
319 HG13 VAL 44 HG13 VAL 44 4.230 9.567 -5.636
320 HG21 VAL 44 HG21 VAL 44 5.788 10.063 -2.289
321 HG22 VAL 44 HG22 VAL 44 6.958 10.686 -3.447
322 HG23 VAL 44 HG23 VAL 44 7.235 9.127 -2.667
323 H GLU 45 HN GLU 45 5.856 6.214 -5.538
324 HA GLU 45 HA GLU 45 3.637 6.455 -7.247
325 HB2 GLU 45 HB2 GLU 45 5.768 4.319 -7.161
326 HB3 GLU 45 HB1 GLU 45 4.675 4.626 -8.501
327 HG2 GLU 45 HG2 GLU 45 6.809 6.477 -7.472
328 HG3 GLU 45 HG1 GLU 45 6.878 5.513 -8.946
329 H VAL 46 HN VAL 46 4.560 4.177 -4.728
330 HA VAL 46 HA VAL 46 2.525 2.271 -5.157
331 HB VAL 46 HB VAL 46 3.841 3.056 -2.511
332 HG11 VAL 46 HG11 VAL 46 2.283 0.565 -3.222
333 HG12 VAL 46 HG12 VAL 46 1.742 1.848 -2.140
334 HG13 VAL 46 HG13 VAL 46 3.131 0.853 -1.702
335 HG21 VAL 46 HG21 VAL 46 5.252 1.084 -2.870
336 HG22 VAL 46 HG22 VAL 46 5.451 2.269 -4.163
337 HG23 VAL 46 HG23 VAL 46 4.481 0.821 -4.435
338 H VAL 47 HN VAL 47 2.557 5.197 -3.157
339 HA VAL 47 HA VAL 47 -0.078 5.101 -2.166
340 HB VAL 47 HB VAL 47 1.379 7.608 -3.075
341 HG11 VAL 47 HG11 VAL 47 0.045 8.753 -1.356
342 HG12 VAL 47 HG12 VAL 47 -0.778 7.238 -0.995
343 HG13 VAL 47 HG13 VAL 47 -0.977 7.989 -2.575
344 HG21 VAL 47 HG21 VAL 47 1.512 6.218 -0.399
345 HG22 VAL 47 HG22 VAL 47 2.239 7.780 -0.782
346 HG23 VAL 47 HG23 VAL 47 2.813 6.322 -1.586
347 H VAL 48 HN VAL 48 1.047 7.062 -4.862
348 HA VAL 48 HA VAL 48 -1.129 7.714 -6.359
349 HB VAL 48 HB VAL 48 1.379 6.442 -7.530
350 HG11 VAL 48 HG11 VAL 48 0.877 7.669 -9.592
351 HG12 VAL 48 HG12 VAL 48 -0.652 8.202 -8.896
352 HG13 VAL 48 HG13 VAL 48 -0.376 6.487 -9.207
353 HG21 VAL 48 HG21 VAL 48 2.155 8.737 -7.858
354 HG22 VAL 48 HG22 VAL 48 1.875 8.378 -6.155
355 HG23 VAL 48 HG23 VAL 48 0.704 9.338 -7.058
356 H ALA 49 HN ALA 49 0.496 4.550 -6.847
357 HA ALA 49 HA ALA 49 -1.439 3.532 -8.598
358 HB1 ALA 49 HB1 ALA 49 0.540 1.976 -6.955
359 HB2 ALA 49 HB2 ALA 49 0.870 2.721 -8.519
360 HB3 ALA 49 HB3 ALA 49 -0.304 1.411 -8.396
361 H ALA 50 HN ALA 50 -1.162 3.238 -5.075
362 HA ALA 50 HA ALA 50 -3.128 1.250 -4.727
363 HB1 ALA 50 HB1 ALA 50 -1.626 1.976 -2.918
364 HB2 ALA 50 HB2 ALA 50 -3.320 2.075 -2.431
365 HB3 ALA 50 HB3 ALA 50 -2.442 3.539 -2.875
366 H GLU 51 HN GLU 51 -3.342 4.771 -4.915
367 HA GLU 51 HA GLU 51 -6.070 5.102 -4.486
368 HB2 GLU 51 HB2 GLU 51 -4.246 6.679 -6.310
369 HB3 GLU 51 HB1 GLU 51 -5.805 7.204 -5.706
370 HG2 GLU 51 HG2 GLU 51 -4.920 7.232 -3.431
371 HG3 GLU 51 HG1 GLU 51 -3.357 6.679 -4.035
372 H GLU 52 HN GLU 52 -4.231 4.493 -7.399
373 HA GLU 52 HA GLU 52 -6.483 4.647 -9.162
374 HB2 GLU 52 HB2 GLU 52 -4.264 5.291 -9.865
375 HB3 GLU 52 HB1 GLU 52 -3.674 3.665 -9.576
376 HG2 GLU 52 HG2 GLU 52 -5.002 2.813 -11.377
377 HG3 GLU 52 HG1 GLU 52 -5.756 4.387 -11.622
378 H ARG 53 HN ARG 53 -4.990 2.082 -7.380
379 HA ARG 53 HA ARG 53 -5.926 -0.014 -9.122
380 HB2 ARG 53 HB2 ARG 53 -3.773 -0.192 -7.968
381 HB3 ARG 53 HB1 ARG 53 -4.587 -0.129 -6.420
382 HG2 ARG 53 HG2 ARG 53 -3.895 -2.384 -6.961
383 HG3 ARG 53 HG1 ARG 53 -5.653 -2.274 -6.893
384 HD2 ARG 53 HD2 ARG 53 -5.777 -2.239 -9.315
385 HD3 ARG 53 HD1 ARG 53 -4.016 -2.187 -9.423
386 HE ARG 53 HE ARG 53 -3.965 -4.386 -8.443
387 HH11 ARG 53 HH11 ARG 53 -7.035 -3.403 -9.967
388 HH12 ARG 53 HH12 ARG 53 -7.574 -4.977 -10.212
389 HH21 ARG 53 HH21 ARG 53 -4.726 -6.584 -8.770
390 HH22 ARG 53 HH22 ARG 53 -6.259 -6.866 -9.431
391 H PHE 54 HN PHE 54 -6.861 1.424 -6.077
392 HA PHE 54 HA PHE 54 -9.092 -0.488 -5.995
393 HB2 PHE 54 HB2 PHE 54 -7.899 1.136 -3.765
394 HB3 PHE 54 HB1 PHE 54 -9.203 -0.032 -3.577
395 HD1 PHE 54 HD1 PHE 54 -8.396 -2.398 -4.823
396 HD2 PHE 54 HD2 PHE 54 -5.909 0.468 -2.883
397 HE1 PHE 54 HE1 PHE 54 -6.703 -4.130 -4.447
398 HE2 PHE 54 HE2 PHE 54 -4.234 -1.277 -2.473
399 HZ PHE 54 HZ PHE 54 -4.583 -3.510 -3.203
400 H ASP 55 HN ASP 55 -8.390 2.539 -6.935
401 HA ASP 55 HA ASP 55 -9.456 4.406 -7.461
402 HB2 ASP 55 HB2 ASP 55 -11.921 2.702 -7.096
403 HB3 ASP 55 HB1 ASP 55 -12.001 4.377 -7.632
404 H VAL 56 HN VAL 56 -8.894 3.745 -4.676
405 HA VAL 56 HA VAL 56 -10.760 5.521 -3.304
406 HB VAL 56 HB VAL 56 -10.553 3.396 -2.220
407 HG11 VAL 56 HG11 VAL 56 -8.429 2.528 -1.337
408 HG12 VAL 56 HG12 VAL 56 -7.591 3.908 -2.044
409 HG13 VAL 56 HG13 VAL 56 -8.378 2.733 -3.095
410 HG21 VAL 56 HG21 VAL 56 -10.783 5.286 -0.733
411 HG22 VAL 56 HG22 VAL 56 -9.032 5.486 -0.674
412 HG23 VAL 56 HG23 VAL 56 -9.779 4.048 0.023
413 H LYS 57 HN LYS 57 -10.189 7.456 -2.998
414 HA LYS 57 HA LYS 57 -7.614 8.501 -3.489
415 HB2 LYS 57 HB2 LYS 57 -9.558 9.945 -3.706
416 HB3 LYS 57 HB1 LYS 57 -9.963 9.722 -2.010
417 HG2 LYS 57 HG2 LYS 57 -8.932 11.911 -2.444
418 HG3 LYS 57 HG1 LYS 57 -7.963 10.929 -1.342
419 HD2 LYS 57 HD2 LYS 57 -6.599 10.227 -3.323
420 HD3 LYS 57 HD1 LYS 57 -7.483 11.418 -4.275
421 HE2 LYS 57 HE2 LYS 57 -6.661 13.202 -2.880
422 HE3 LYS 57 HE1 LYS 57 -5.892 12.045 -1.796
423 HZ1 LYS 57 HZ1 LYS 57 -4.547 11.320 -3.752
424 HZ2 LYS 57 HZ2 LYS 57 -4.228 12.862 -3.158
425 HZ3 LYS 57 HZ3 LYS 57 -5.103 12.696 -4.593
426 H ILE 58 HN ILE 58 -5.982 7.787 -2.380
427 HA ILE 58 HA ILE 58 -6.031 8.011 0.545
428 HB ILE 58 HB ILE 58 -4.076 6.402 -1.137
429 HG12 ILE 58 HG12 ILE 58 -6.406 5.346 0.477
430 HG13 ILE 58 HG11 ILE 58 -6.383 5.465 -1.280
431 HG21 ILE 58 HG21 ILE 58 -3.221 7.133 1.038
432 HG22 ILE 58 HG22 ILE 58 -3.468 5.387 1.026
433 HG23 ILE 58 HG23 ILE 58 -4.627 6.429 1.839
434 HD11 ILE 58 HD11 ILE 58 -5.904 3.212 -0.534
435 HD12 ILE 58 HD12 ILE 58 -4.534 3.801 0.405
436 HD13 ILE 58 HD13 ILE 58 -4.508 3.908 -1.357
437 HA PRO 59 HA PRO 59 -3.483 11.396 -1.039
438 HB2 PRO 59 HB2 PRO 59 -3.684 12.475 1.657
439 HB3 PRO 59 HB1 PRO 59 -4.281 13.156 0.142
440 HG2 PRO 59 HG2 PRO 59 -5.896 12.178 2.097
441 HG3 PRO 59 HG1 PRO 59 -6.346 12.197 0.378
442 HD2 PRO 59 HD2 PRO 59 -5.373 9.952 2.079
443 HD3 PRO 59 HD1 PRO 59 -6.567 9.937 0.761
444 H ASP 60 HN ASP 60 -1.279 11.516 -0.986
445 HA ASP 60 HA ASP 60 0.582 10.186 0.375
446 HB2 ASP 60 HB2 ASP 60 0.758 13.149 -0.200
447 HB3 ASP 60 HB1 ASP 60 2.114 12.073 0.085
448 H ASP 61 HN ASP 61 -1.326 12.726 1.716
449 HA ASP 61 HA ASP 61 0.187 13.205 4.104
450 HB2 ASP 61 HB2 ASP 61 -2.756 13.659 3.550
451 HB3 ASP 61 HB1 ASP 61 -1.877 14.273 4.939
452 H ASP 62 HN ASP 62 -2.901 11.532 3.542
453 HA ASP 62 HA ASP 62 -3.031 10.380 6.167
454 HB2 ASP 62 HB2 ASP 62 -4.538 9.624 3.659
455 HB3 ASP 62 HB1 ASP 62 -4.821 8.895 5.229
456 H VAL 63 HN VAL 63 -1.717 9.305 3.214
457 HA VAL 63 HA VAL 63 -1.564 6.603 3.857
458 HB VAL 63 HB VAL 63 -1.114 7.803 1.615
459 HG11 VAL 63 HG11 VAL 63 1.222 8.085 1.001
460 HG12 VAL 63 HG12 VAL 63 1.680 7.827 2.685
461 HG13 VAL 63 HG13 VAL 63 0.690 9.218 2.245
462 HG21 VAL 63 HG21 VAL 63 0.547 5.451 2.437
463 HG22 VAL 63 HG22 VAL 63 0.197 5.947 0.777
464 HG23 VAL 63 HG23 VAL 63 -1.114 5.431 1.840
465 H LYS 64 HN LYS 64 0.258 9.288 5.056
466 HA LYS 64 HA LYS 64 2.544 7.846 5.846
467 HB2 LYS 64 HB2 LYS 64 1.555 10.396 7.121
468 HB3 LYS 64 HB1 LYS 64 3.200 9.792 7.106
469 HG2 LYS 64 HG2 LYS 64 3.238 10.148 4.638
470 HG3 LYS 64 HG1 LYS 64 1.651 10.893 4.758
471 HD2 LYS 64 HD2 LYS 64 2.728 12.414 6.539
472 HD3 LYS 64 HD1 LYS 64 4.263 11.839 5.892
473 HE2 LYS 64 HE2 LYS 64 2.097 13.338 4.421
474 HE3 LYS 64 HE1 LYS 64 3.701 13.924 4.834
475 HZ1 LYS 64 HZ1 LYS 64 3.640 13.344 2.561
476 HZ2 LYS 64 HZ2 LYS 64 3.001 11.820 2.876
477 HZ3 LYS 64 HZ3 LYS 64 4.606 12.184 3.307
478 H ASN 65 HN ASN 65 -0.590 8.112 7.032
479 HA ASN 65 HA ASN 65 0.058 7.500 9.796
480 HB2 ASN 65 HB2 ASN 65 -2.593 7.924 8.396
481 HB3 ASN 65 HB1 ASN 65 -2.427 7.575 10.112
482 HD21 ASN 65 HD21 ASN 65 -1.974 9.947 7.618
483 HD22 ASN 65 HD22 ASN 65 -1.690 11.285 8.657
484 H LEU 66 HN LEU 66 -0.654 5.915 6.910
485 HA LEU 66 HA LEU 66 -1.929 3.608 8.046
486 HB2 LEU 66 HB2 LEU 66 -0.642 3.896 5.318
487 HB3 LEU 66 HB1 LEU 66 -1.772 2.667 5.823
488 HG LEU 66 HG LEU 66 -2.435 5.598 5.552
489 HD11 LEU 66 HD11 LEU 66 -2.002 4.569 3.398
490 HD12 LEU 66 HD12 LEU 66 -3.719 4.916 3.600
491 HD13 LEU 66 HD13 LEU 66 -3.124 3.265 3.782
492 HD21 LEU 66 HD21 LEU 66 -4.752 4.851 5.800
493 HD22 LEU 66 HD22 LEU 66 -3.805 4.478 7.244
494 HD23 LEU 66 HD23 LEU 66 -4.197 3.212 6.079
495 H LYS 67 HN LYS 67 1.102 3.934 6.242
496 HA LYS 67 HA LYS 67 3.038 3.173 6.414
497 HB2 LYS 67 HB2 LYS 67 2.393 3.142 9.272
498 HB3 LYS 67 HB1 LYS 67 3.791 2.176 8.802
499 HG2 LYS 67 HG2 LYS 67 3.379 5.046 8.052
500 HG3 LYS 67 HG1 LYS 67 4.364 4.483 9.414
501 HD2 LYS 67 HD2 LYS 67 5.824 3.354 8.055
502 HD3 LYS 67 HD1 LYS 67 4.881 3.430 6.616
503 HE2 LYS 67 HE2 LYS 67 5.095 5.970 6.805
504 HE3 LYS 67 HE1 LYS 67 6.352 5.644 8.004
505 HZ1 LYS 67 HZ1 LYS 67 7.451 5.854 5.992
506 HZ2 LYS 67 HZ2 LYS 67 6.313 4.973 5.137
507 HZ3 LYS 67 HZ3 LYS 67 7.362 4.173 6.210
508 H THR 68 HN THR 68 0.796 0.894 7.607
509 HA THR 68 HA THR 68 2.575 -1.078 6.449
510 HB THR 68 HB THR 68 1.200 -2.765 7.756
511 HG1 THR 68 HG1 THR 68 0.680 -0.879 9.694
512 HG21 THR 68 HG21 THR 68 2.548 -2.318 9.832
513 HG22 THR 68 HG22 THR 68 3.090 -0.794 9.043
514 HG23 THR 68 HG23 THR 68 3.422 -2.361 8.312
515 H VAL 69 HN VAL 69 1.729 -2.735 5.332
516 HA VAL 69 HA VAL 69 0.042 -2.154 3.305
517 HB VAL 69 HB VAL 69 -0.226 -4.773 3.174
518 HG11 VAL 69 HG11 VAL 69 2.544 -3.523 3.246
519 HG12 VAL 69 HG12 VAL 69 1.456 -3.459 1.861
520 HG13 VAL 69 HG13 VAL 69 2.103 -5.005 2.407
521 HG21 VAL 69 HG21 VAL 69 0.189 -5.159 5.493
522 HG22 VAL 69 HG22 VAL 69 1.796 -4.447 5.338
523 HG23 VAL 69 HG23 VAL 69 1.408 -5.947 4.494
524 H GLY 70 HN GLY 70 -0.718 -3.899 6.297
525 HA2 GLY 70 HA2 GLY 70 -3.448 -4.368 5.731
526 HA3 GLY 70 HA1 GLY 70 -2.684 -4.508 7.304
527 H ASP 71 HN ASP 71 -1.790 -1.679 7.296
528 HA ASP 71 HA ASP 71 -4.197 -0.600 8.414
529 HB2 ASP 71 HB2 ASP 71 -1.718 -0.124 9.087
530 HB3 ASP 71 HB1 ASP 71 -1.761 1.039 7.769
531 H ALA 72 HN ALA 72 -2.241 -0.124 5.554
532 HA ALA 72 HA ALA 72 -3.668 1.920 4.300
533 HB1 ALA 72 HB1 ALA 72 -2.271 -0.445 3.041
534 HB2 ALA 72 HB2 ALA 72 -1.517 1.091 3.473
535 HB3 ALA 72 HB3 ALA 72 -2.743 1.037 2.207
536 H THR 73 HN THR 73 -3.919 -1.582 3.809
537 HA THR 73 HA THR 73 -6.201 -1.839 2.436
538 HB THR 73 HB THR 73 -5.238 -3.474 4.768
539 HG1 THR 73 HG1 THR 73 -3.695 -3.409 3.203
540 HG21 THR 73 HG21 THR 73 -6.508 -5.323 3.717
541 HG22 THR 73 HG22 THR 73 -7.131 -4.171 2.522
542 HG23 THR 73 HG23 THR 73 -7.570 -3.998 4.211
543 H LYS 74 HN LYS 74 -6.079 -1.521 6.052
544 HA LYS 74 HA LYS 74 -8.782 -1.615 6.559
545 HB2 LYS 74 HB2 LYS 74 -7.189 -1.715 8.307
546 HB3 LYS 74 HB1 LYS 74 -6.500 -0.167 7.862
547 HG2 LYS 74 HG2 LYS 74 -8.527 0.955 8.635
548 HG3 LYS 74 HG1 LYS 74 -9.226 -0.610 9.067
549 HD2 LYS 74 HD2 LYS 74 -8.225 0.511 11.039
550 HD3 LYS 74 HD1 LYS 74 -7.444 -1.022 10.594
551 HE2 LYS 74 HE2 LYS 74 -5.796 0.702 11.202
552 HE3 LYS 74 HE1 LYS 74 -5.615 0.127 9.553
553 HZ1 LYS 74 HZ1 LYS 74 -5.352 2.397 9.423
554 HZ2 LYS 74 HZ2 LYS 74 -6.568 2.757 10.510
555 HZ3 LYS 74 HZ3 LYS 74 -6.982 2.275 8.960
556 H TYR 75 HN TYR 75 -6.800 1.097 5.530
557 HA TYR 75 HA TYR 75 -8.810 3.098 5.834
558 HB2 TYR 75 HB2 TYR 75 -6.372 3.591 5.770
559 HB3 TYR 75 HB1 TYR 75 -6.334 3.083 4.091
560 HD1 TYR 75 HD1 TYR 75 -7.463 5.713 6.418
561 HD2 TYR 75 HD2 TYR 75 -7.113 4.541 2.344
562 HE1 TYR 75 HE1 TYR 75 -7.975 8.014 5.717
563 HE2 TYR 75 HE2 TYR 75 -7.620 6.835 1.637
564 HH TYR 75 HH TYR 75 -8.759 8.851 2.519
565 H ILE 76 HN ILE 76 -7.490 1.246 3.174
566 HA ILE 76 HA ILE 76 -9.093 2.227 1.094
567 HB ILE 76 HB ILE 76 -7.786 -0.478 1.476
568 HG12 ILE 76 HG12 ILE 76 -6.863 1.912 -0.118
569 HG13 ILE 76 HG11 ILE 76 -6.350 1.571 1.529
570 HG21 ILE 76 HG21 ILE 76 -8.887 0.782 -1.051
571 HG22 ILE 76 HG22 ILE 76 -9.546 -0.624 -0.216
572 HG23 ILE 76 HG23 ILE 76 -7.955 -0.713 -0.972
573 HD11 ILE 76 HD11 ILE 76 -5.362 -0.506 0.789
574 HD12 ILE 76 HD12 ILE 76 -4.694 0.878 -0.086
575 HD13 ILE 76 HD13 ILE 76 -5.883 -0.176 -0.861
576 H LEU 77 HN LEU 77 -9.460 -0.610 3.127
577 HA LEU 77 HA LEU 77 -11.801 -1.677 2.103
578 HB2 LEU 77 HB2 LEU 77 -10.442 -2.821 3.750
579 HB3 LEU 77 HB1 LEU 77 -10.822 -1.601 4.948
580 HG LEU 77 HG LEU 77 -13.239 -2.298 4.612
581 HD11 LEU 77 HD11 LEU 77 -13.060 -3.549 2.622
582 HD12 LEU 77 HD12 LEU 77 -13.637 -4.585 3.928
583 HD13 LEU 77 HD13 LEU 77 -11.961 -4.695 3.390
584 HD21 LEU 77 HD21 LEU 77 -12.027 -2.738 6.654
585 HD22 LEU 77 HD22 LEU 77 -11.309 -4.183 5.940
586 HD23 LEU 77 HD23 LEU 77 -13.045 -4.118 6.243
587 H ASP 78 HN ASP 78 -11.366 0.840 4.477
588 HA ASP 78 HA ASP 78 -14.215 0.941 5.019
589 HB2 ASP 78 HB2 ASP 78 -12.531 1.237 6.791
590 HB3 ASP 78 HB1 ASP 78 -12.022 2.717 6.017
591 H HIS 79 HN HIS 79 -11.791 2.948 3.503
592 HA HIS 79 HA HIS 79 -13.499 5.186 3.071
593 HB2 HIS 79 HB2 HIS 79 -10.762 4.658 2.855
594 HB3 HIS 79 HB1 HIS 79 -11.279 4.998 1.215
595 HD1 HIS 79 HD1 HIS 79 -11.370 7.451 0.598
596 HD2 HIS 79 HD2 HIS 79 -11.463 6.808 4.702
597 HE1 HIS 79 HE1 HIS 79 -11.101 9.687 1.617
598 HE2 HIS 79 HE2 HIS 79 -10.856 9.272 4.038
599 H GLN 80 HN GLN 80 -12.176 2.646 0.919
600 HA GLN 80 HA GLN 80 -12.536 2.124 -1.254
601 HB2 GLN 80 HB2 GLN 80 -15.284 2.450 -0.173
602 HB3 GLN 80 HB1 GLN 80 -14.981 1.685 -1.746
603 HG2 GLN 80 HG2 GLN 80 -14.076 0.756 0.976
604 HG3 GLN 80 HG1 GLN 80 -15.355 0.044 -0.004
605 HE21 GLN 80 HE21 GLN 80 -12.942 -1.037 1.056
606 HE22 GLN 80 HE22 GLN 80 -12.018 -1.676 -0.274
607 H ALA 81 HN ALA 81 -14.171 2.681 -3.209
608 HA ALA 81 HA ALA 81 -13.970 5.557 -3.634
609 HB1 ALA 81 HB1 ALA 81 -14.424 5.000 -5.989
610 HB2 ALA 81 HB2 ALA 81 -14.584 3.299 -5.549
611 HB3 ALA 81 HB3 ALA 81 -13.029 4.113 -5.379
612 H2 SHW 101 H2A SHW 101 2.436 6.001 3.224
613 H2A SHW 101 H2B SHW 101 3.405 5.000 2.160
614 H3 SHW 101 H3A SHW 101 2.981 4.459 5.110
615 HO3 SHW 101 HO3 SHW 101 4.745 3.478 3.275
616 H4 SHW 101 H4A SHW 101 0.948 4.044 3.884
617 H4A SHW 101 H4B SHW 101 1.680 2.510 4.317
618 H5 SHW 101 H5A SHW 101 2.521 2.246 2.047
619 H5A SHW 101 H5B SHW 101 1.806 3.801 1.601
620 H6 SHW 101 H6A SHW 101 -0.416 2.919 2.223
621 H6A SHW 101 H6B SHW 101 0.323 1.359 2.573
622 H7 SHW 101 H7A SHW 101 -0.677 1.278 0.375
623 H7A SHW 101 H7B SHW 101 1.086 1.239 0.206
624 H8 SHW 101 H8C SHW 101 1.072 3.642 -0.260
625 H8A SHW 101 H8A SHW 101 -0.683 3.664 -0.093
626 H8B SHW 101 H8B SHW 101 0.065 2.763 -1.413
627 H28 SHW 101 H28A SHW 101 12.592 11.853 0.050
628 H28A SHW 101 H28B SHW 101 11.172 10.857 -0.271
629 H30 SHW 101 H30A SHW 101 13.058 12.043 2.729
630 H30A SHW 101 H30B SHW 101 12.310 10.479 3.059
631 H30B SHW 101 H30C SHW 101 11.648 11.944 3.785
632 H31 SHW 101 H31A SHW 101 10.395 13.359 0.598
633 H31A SHW 101 H31B SHW 101 11.969 13.690 1.324
634 H31B SHW 101 H31C SHW 101 10.523 13.651 2.333
635 H32 SHW 101 H32A SHW 101 9.483 11.274 3.009
636 HO33 SHW 101 H33A SHW 101 8.500 10.666 0.717
637 HN36 SHW 101 H36A SHW 101 10.988 9.398 3.353
638 H37 SHW 101 H37A SHW 101 9.642 7.030 2.138
639 H37A SHW 101 H37B SHW 101 11.388 7.036 2.342
640 H38 SHW 101 H38A SHW 101 10.263 5.703 4.029
641 H38A SHW 101 H38B SHW 101 11.102 7.062 4.789
642 HN41 SHW 101 H41A SHW 101 8.272 7.903 3.143
643 H42 SHW 101 H42A SHW 101 6.308 7.250 4.969
644 H42A SHW 101 H42B SHW 101 6.793 8.952 5.224
645 H43 SHW 101 H43A SHW 101 6.231 7.826 2.506
646 H43A SHW 101 H43B SHW 101 5.862 9.494 3.047
Start of MODEL 10
1 H1 ALA 1 HT1 ALA 1 -15.229 -1.486 -2.831
2 H2 ALA 1 HT2 ALA 1 -16.614 -0.949 -1.991
3 H3 ALA 1 HT3 ALA 1 -16.697 -2.267 -3.041
4 HA ALA 1 HA ALA 1 -15.199 -2.194 -0.504
5 HB1 ALA 1 HB1 ALA 1 -16.807 -3.914 0.194
6 HB2 ALA 1 HB2 ALA 1 -17.648 -3.753 -1.349
7 HB3 ALA 1 HB3 ALA 1 -17.625 -2.405 -0.214
8 H ALA 2 HN ALA 2 -13.578 -3.761 -0.323
9 HA ALA 2 HA ALA 2 -13.478 -5.684 -2.496
10 HB1 ALA 2 HB1 ALA 2 -11.188 -3.972 -1.517
11 HB2 ALA 2 HB2 ALA 2 -11.990 -3.829 -3.081
12 HB3 ALA 2 HB3 ALA 2 -11.068 -5.282 -2.694
13 H THR 3 HN THR 3 -12.258 -7.491 -1.933
14 HA THR 3 HA THR 3 -12.668 -8.332 0.750
15 HB THR 3 HB THR 3 -10.872 -9.847 -1.101
16 HG1 THR 3 HG1 THR 3 -12.260 -9.056 -2.695
17 HG21 THR 3 HG21 THR 3 -12.418 -11.649 -0.496
18 HG22 THR 3 HG22 THR 3 -13.467 -10.475 0.306
19 HG23 THR 3 HG23 THR 3 -11.859 -10.800 0.949
20 H GLN 4 HN GLN 4 -11.114 -8.226 2.400
21 HA GLN 4 HA GLN 4 -9.183 -6.291 2.298
22 HB2 GLN 4 HB2 GLN 4 -9.446 -8.565 4.201
23 HB3 GLN 4 HB1 GLN 4 -8.266 -7.276 4.404
24 HG2 GLN 4 HG2 GLN 4 -10.131 -5.645 4.313
25 HG3 GLN 4 HG1 GLN 4 -11.247 -6.974 4.272
26 HE21 GLN 4 HE21 GLN 4 -8.857 -5.366 6.237
27 HE22 GLN 4 HE22 GLN 4 -9.321 -6.031 7.743
28 H GLU 5 HN GLU 5 -8.605 -9.702 1.735
29 HA GLU 5 HA GLU 5 -5.709 -9.414 1.707
30 HB2 GLU 5 HB2 GLU 5 -7.459 -11.696 0.806
31 HB3 GLU 5 HB1 GLU 5 -5.709 -11.749 0.968
32 HG2 GLU 5 HG2 GLU 5 -5.860 -11.460 3.340
33 HG3 GLU 5 HG1 GLU 5 -7.607 -11.212 3.233
34 H GLU 6 HN GLU 6 -8.294 -9.255 -0.452
35 HA GLU 6 HA GLU 6 -6.857 -9.425 -2.924
36 HB2 GLU 6 HB2 GLU 6 -9.194 -9.975 -2.744
37 HB3 GLU 6 HB1 GLU 6 -9.556 -8.417 -2.051
38 HG2 GLU 6 HG2 GLU 6 -9.097 -7.384 -4.221
39 HG3 GLU 6 HG1 GLU 6 -8.788 -8.995 -4.895
40 H ILE 7 HN ILE 7 -7.841 -6.998 -0.640
41 HA ILE 7 HA ILE 7 -7.015 -4.642 -1.968
42 HB ILE 7 HB ILE 7 -6.992 -5.297 1.003
43 HG12 ILE 7 HG12 ILE 7 -9.206 -4.180 -0.740
44 HG13 ILE 7 HG11 ILE 7 -9.169 -5.676 0.137
45 HG21 ILE 7 HG21 ILE 7 -5.688 -3.279 0.431
46 HG22 ILE 7 HG22 ILE 7 -7.096 -2.943 1.427
47 HG23 ILE 7 HG23 ILE 7 -7.146 -2.570 -0.288
48 HD11 ILE 7 HD11 ILE 7 -10.571 -4.033 1.255
49 HD12 ILE 7 HD12 ILE 7 -9.180 -2.969 1.444
50 HD13 ILE 7 HD13 ILE 7 -9.213 -4.533 2.260
51 H VAL 8 HN VAL 8 -5.405 -6.583 0.558
52 HA VAL 8 HA VAL 8 -2.878 -5.500 0.400
53 HB VAL 8 HB VAL 8 -3.674 -8.350 1.094
54 HG11 VAL 8 HG11 VAL 8 -1.085 -6.897 1.671
55 HG12 VAL 8 HG12 VAL 8 -1.282 -8.250 0.557
56 HG13 VAL 8 HG13 VAL 8 -1.533 -8.488 2.288
57 HG21 VAL 8 HG21 VAL 8 -4.713 -6.641 2.485
58 HG22 VAL 8 HG22 VAL 8 -3.153 -5.912 2.779
59 HG23 VAL 8 HG23 VAL 8 -3.498 -7.525 3.411
60 H ALA 9 HN ALA 9 -4.288 -8.091 -1.551
61 HA ALA 9 HA ALA 9 -2.003 -8.815 -2.991
62 HB1 ALA 9 HB1 ALA 9 -4.869 -8.916 -3.932
63 HB2 ALA 9 HB2 ALA 9 -4.050 -10.160 -2.989
64 HB3 ALA 9 HB3 ALA 9 -3.518 -9.808 -4.633
65 H GLY 10 HN GLY 10 -4.460 -6.322 -3.645
66 HA2 GLY 10 HA2 GLY 10 -3.433 -5.465 -6.143
67 HA3 GLY 10 HA1 GLY 10 -4.417 -4.476 -5.073
68 H LEU 11 HN LEU 11 -2.831 -4.534 -2.848
69 HA LEU 11 HA LEU 11 -0.983 -2.484 -3.333
70 HB2 LEU 11 HB2 LEU 11 -1.171 -4.437 -1.044
71 HB3 LEU 11 HB1 LEU 11 -0.077 -3.074 -1.088
72 HG LEU 11 HG LEU 11 -3.085 -2.827 -1.172
73 HD11 LEU 11 HD11 LEU 11 -2.346 -3.772 0.954
74 HD12 LEU 11 HD12 LEU 11 -2.896 -2.107 1.158
75 HD13 LEU 11 HD13 LEU 11 -1.170 -2.470 1.133
76 HD21 LEU 11 HD21 LEU 11 -0.896 -0.791 -0.738
77 HD22 LEU 11 HD22 LEU 11 -2.627 -0.475 -0.664
78 HD23 LEU 11 HD23 LEU 11 -1.884 -0.954 -2.189
79 H ALA 12 HN ALA 12 -0.512 -5.920 -2.733
80 HA ALA 12 HA ALA 12 2.237 -6.101 -2.857
81 HB1 ALA 12 HB1 ALA 12 1.911 -8.461 -3.294
82 HB2 ALA 12 HB2 ALA 12 0.233 -8.159 -3.749
83 HB3 ALA 12 HB3 ALA 12 0.760 -7.885 -2.088
84 H GLU 13 HN GLU 13 -0.088 -6.381 -5.507
85 HA GLU 13 HA GLU 13 1.919 -6.941 -7.416
86 HB2 GLU 13 HB2 GLU 13 0.221 -6.518 -9.177
87 HB3 GLU 13 HB1 GLU 13 -0.315 -7.645 -7.947
88 HG2 GLU 13 HG2 GLU 13 -1.627 -5.872 -6.906
89 HG3 GLU 13 HG1 GLU 13 -1.087 -4.751 -8.157
90 H ILE 14 HN ILE 14 0.582 -3.988 -6.366
91 HA ILE 14 HA ILE 14 1.873 -2.290 -8.226
92 HB ILE 14 HB ILE 14 0.822 -1.868 -5.423
93 HG12 ILE 14 HG12 ILE 14 -0.295 -0.968 -8.066
94 HG13 ILE 14 HG11 ILE 14 -0.748 -2.472 -7.268
95 HG21 ILE 14 HG21 ILE 14 1.754 0.227 -7.379
96 HG22 ILE 14 HG22 ILE 14 2.540 -0.199 -5.860
97 HG23 ILE 14 HG23 ILE 14 0.935 0.540 -5.847
98 HD11 ILE 14 HD11 ILE 14 -1.528 -1.272 -5.385
99 HD12 ILE 14 HD12 ILE 14 -2.349 -0.738 -6.863
100 HD13 ILE 14 HD13 ILE 14 -1.083 0.275 -6.126
101 H VAL 15 HN VAL 15 2.630 -3.314 -4.939
102 HA VAL 15 HA VAL 15 5.066 -2.017 -4.612
103 HB VAL 15 HB VAL 15 4.144 -4.656 -3.444
104 HG11 VAL 15 HG11 VAL 15 5.818 -4.289 -1.678
105 HG12 VAL 15 HG12 VAL 15 6.411 -2.870 -2.540
106 HG13 VAL 15 HG13 VAL 15 6.580 -4.471 -3.258
107 HG21 VAL 15 HG21 VAL 15 2.720 -2.789 -2.907
108 HG22 VAL 15 HG22 VAL 15 4.112 -1.869 -2.340
109 HG23 VAL 15 HG23 VAL 15 3.607 -3.325 -1.481
110 H ASN 16 HN ASN 16 4.429 -5.264 -5.870
111 HA ASN 16 HA ASN 16 7.126 -5.939 -6.273
112 HB2 ASN 16 HB2 ASN 16 5.169 -7.498 -6.314
113 HB3 ASN 16 HB1 ASN 16 4.821 -6.899 -7.928
114 HD21 ASN 16 HD21 ASN 16 7.182 -8.598 -6.021
115 HD22 ASN 16 HD22 ASN 16 7.998 -9.365 -7.332
116 H GLU 17 HN GLU 17 4.900 -4.145 -8.205
117 HA GLU 17 HA GLU 17 6.456 -4.131 -10.590
118 HB2 GLU 17 HB2 GLU 17 4.030 -3.954 -10.581
119 HB3 GLU 17 HB1 GLU 17 4.116 -2.483 -9.638
120 HG2 GLU 17 HG2 GLU 17 5.074 -1.305 -11.497
121 HG3 GLU 17 HG1 GLU 17 5.169 -2.806 -12.426
122 H ILE 18 HN ILE 18 5.777 -1.755 -8.064
123 HA ILE 18 HA ILE 18 7.607 0.191 -9.245
124 HB ILE 18 HB ILE 18 5.865 0.357 -6.769
125 HG12 ILE 18 HG12 ILE 18 5.511 1.682 -9.400
126 HG13 ILE 18 HG11 ILE 18 4.730 0.113 -9.074
127 HG21 ILE 18 HG21 ILE 18 7.771 1.891 -6.693
128 HG22 ILE 18 HG22 ILE 18 6.259 2.764 -6.935
129 HG23 ILE 18 HG23 ILE 18 7.349 2.494 -8.297
130 HD11 ILE 18 HD11 ILE 18 3.195 1.950 -8.814
131 HD12 ILE 18 HD12 ILE 18 4.315 2.781 -7.733
132 HD13 ILE 18 HD13 ILE 18 3.546 1.279 -7.222
133 H ALA 19 HN ALA 19 7.273 -1.401 -6.079
134 HA ALA 19 HA ALA 19 9.767 -0.372 -5.048
135 HB1 ALA 19 HB1 ALA 19 7.870 -0.811 -3.587
136 HB2 ALA 19 HB2 ALA 19 9.271 -1.776 -3.124
137 HB3 ALA 19 HB3 ALA 19 7.938 -2.524 -4.002
138 H GLY 20 HN GLY 20 8.556 -3.345 -6.436
139 HA2 GLY 20 HA2 GLY 20 9.738 -5.028 -7.530
140 HA3 GLY 20 HA1 GLY 20 11.247 -4.314 -6.972
141 H ILE 21 HN ILE 21 8.505 -5.103 -4.941
142 HA ILE 21 HA ILE 21 10.257 -6.971 -3.505
143 HB ILE 21 HB ILE 21 7.970 -5.287 -2.440
144 HG12 ILE 21 HG12 ILE 21 9.930 -3.924 -2.891
145 HG13 ILE 21 HG11 ILE 21 9.725 -4.101 -1.152
146 HG21 ILE 21 HG21 ILE 21 8.076 -7.390 -1.236
147 HG22 ILE 21 HG22 ILE 21 8.612 -6.063 -0.204
148 HG23 ILE 21 HG23 ILE 21 9.796 -7.152 -0.925
149 HD11 ILE 21 HD11 ILE 21 11.485 -5.792 -1.123
150 HD12 ILE 21 HD12 ILE 21 12.061 -4.265 -1.788
151 HD13 ILE 21 HD13 ILE 21 11.687 -5.613 -2.865
152 HA PRO 22 HA PRO 22 7.782 -10.667 -4.425
153 HB2 PRO 22 HB2 PRO 22 7.946 -11.088 -1.578
154 HB3 PRO 22 HB1 PRO 22 8.690 -12.012 -2.883
155 HG2 PRO 22 HG2 PRO 22 9.858 -9.919 -1.202
156 HG3 PRO 22 HG1 PRO 22 10.667 -11.094 -2.256
157 HD2 PRO 22 HD2 PRO 22 10.626 -8.470 -2.871
158 HD3 PRO 22 HD1 PRO 22 10.480 -9.750 -4.111
159 H VAL 23 HN VAL 23 5.886 -10.758 -4.809
160 HA VAL 23 HA VAL 23 3.827 -9.156 -3.819
161 HB VAL 23 HB VAL 23 3.638 -11.889 -5.135
162 HG11 VAL 23 HG11 VAL 23 1.391 -11.216 -5.847
163 HG12 VAL 23 HG12 VAL 23 1.545 -9.733 -4.905
164 HG13 VAL 23 HG13 VAL 23 1.529 -11.295 -4.089
165 HG21 VAL 23 HG21 VAL 23 3.578 -9.137 -6.359
166 HG22 VAL 23 HG22 VAL 23 3.311 -10.650 -7.225
167 HG23 VAL 23 HG23 VAL 23 4.883 -10.314 -6.500
168 H GLU 24 HN GLU 24 5.051 -12.281 -2.763
169 HA GLU 24 HA GLU 24 2.895 -12.313 -0.967
170 HB2 GLU 24 HB2 GLU 24 4.694 -14.563 -1.777
171 HB3 GLU 24 HB1 GLU 24 3.511 -14.724 -0.479
172 HG2 GLU 24 HG2 GLU 24 1.712 -14.221 -1.983
173 HG3 GLU 24 HG1 GLU 24 2.850 -13.886 -3.288
174 H ASP 25 HN ASP 25 5.814 -11.100 -0.858
175 HA ASP 25 HA ASP 25 6.399 -11.809 1.910
176 HB2 ASP 25 HB2 ASP 25 8.255 -11.238 0.278
177 HB3 ASP 25 HB1 ASP 25 7.653 -9.585 0.255
178 H VAL 26 HN VAL 26 4.803 -9.562 -0.033
179 HA VAL 26 HA VAL 26 4.130 -7.591 1.909
180 HB VAL 26 HB VAL 26 3.027 -8.303 -0.845
181 HG11 VAL 26 HG11 VAL 26 2.240 -5.932 0.859
182 HG12 VAL 26 HG12 VAL 26 1.219 -7.335 0.505
183 HG13 VAL 26 HG13 VAL 26 1.731 -6.273 -0.806
184 HG21 VAL 26 HG21 VAL 26 4.611 -5.960 0.176
185 HG22 VAL 26 HG22 VAL 26 4.079 -6.187 -1.487
186 HG23 VAL 26 HG23 VAL 26 5.252 -7.302 -0.772
187 H LYS 27 HN LYS 27 3.637 -9.052 3.537
188 HA LYS 27 HA LYS 27 1.092 -10.520 3.529
189 HB2 LYS 27 HB2 LYS 27 3.123 -10.100 5.741
190 HB3 LYS 27 HB1 LYS 27 1.851 -11.318 5.699
191 HG2 LYS 27 HG2 LYS 27 2.929 -12.392 3.790
192 HG3 LYS 27 HG1 LYS 27 4.197 -11.173 3.816
193 HD2 LYS 27 HD2 LYS 27 4.760 -11.910 6.128
194 HD3 LYS 27 HD1 LYS 27 3.575 -13.205 5.950
195 HE2 LYS 27 HE2 LYS 27 6.022 -12.765 4.258
196 HE3 LYS 27 HE1 LYS 27 5.816 -14.019 5.483
197 HZ1 LYS 27 HZ1 LYS 27 5.410 -15.050 3.400
198 HZ2 LYS 27 HZ2 LYS 27 4.465 -13.784 2.849
199 HZ3 LYS 27 HZ3 LYS 27 3.872 -14.801 4.058
200 H LEU 28 HN LEU 28 0.954 -9.722 6.538
201 HA LEU 28 HA LEU 28 -0.167 -7.030 6.032
202 HB2 LEU 28 HB2 LEU 28 -1.244 -9.284 7.388
203 HB3 LEU 28 HB1 LEU 28 -1.018 -7.973 8.531
204 HG LEU 28 HG LEU 28 -2.189 -6.565 6.720
205 HD11 LEU 28 HD11 LEU 28 -3.900 -7.761 5.501
206 HD12 LEU 28 HD12 LEU 28 -3.198 -9.296 6.021
207 HD13 LEU 28 HD13 LEU 28 -2.273 -8.201 4.988
208 HD21 LEU 28 HD21 LEU 28 -2.943 -6.921 8.930
209 HD22 LEU 28 HD22 LEU 28 -3.620 -8.501 8.502
210 HD23 LEU 28 HD23 LEU 28 -4.314 -7.016 7.819
211 H ASP 29 HN ASP 29 2.263 -8.610 7.512
212 HA ASP 29 HA ASP 29 2.594 -7.050 9.966
213 HB2 ASP 29 HB2 ASP 29 2.926 -9.452 10.012
214 HB3 ASP 29 HB1 ASP 29 3.982 -9.315 8.614
215 H LYS 30 HN LYS 30 3.073 -6.500 6.945
216 HA LYS 30 HA LYS 30 5.909 -5.807 7.025
217 HB2 LYS 30 HB2 LYS 30 4.009 -6.100 4.760
218 HB3 LYS 30 HB1 LYS 30 5.690 -5.607 4.600
219 HG2 LYS 30 HG2 LYS 30 4.745 -8.203 5.797
220 HG3 LYS 30 HG1 LYS 30 5.327 -8.005 4.144
221 HD2 LYS 30 HD2 LYS 30 7.500 -7.279 4.997
222 HD3 LYS 30 HD1 LYS 30 6.913 -7.460 6.652
223 HE2 LYS 30 HE2 LYS 30 6.546 -9.851 6.243
224 HE3 LYS 30 HE1 LYS 30 7.165 -9.660 4.605
225 HZ1 LYS 30 HZ1 LYS 30 8.709 -9.155 7.096
226 HZ2 LYS 30 HZ2 LYS 30 9.327 -9.079 5.501
227 HZ3 LYS 30 HZ3 LYS 30 8.815 -10.538 6.128
228 H SER 31 HN SER 31 6.379 -3.759 7.633
229 HA SER 31 HA SER 31 4.724 -1.592 6.811
230 HB2 SER 31 HB2 SER 31 7.524 -1.559 7.950
231 HB3 SER 31 HB1 SER 31 6.258 -0.336 8.048
232 HG SER 31 HG SER 31 6.472 -2.795 9.369
233 H PHE 32 HN PHE 32 4.901 -1.152 4.691
234 HA PHE 32 HA PHE 32 6.450 -1.841 2.686
235 HB2 PHE 32 HB2 PHE 32 5.537 0.956 3.234
236 HB3 PHE 32 HB1 PHE 32 6.268 0.446 1.717
237 HD1 PHE 32 HD1 PHE 32 5.121 -1.111 0.260
238 HD2 PHE 32 HD2 PHE 32 3.416 0.352 3.824
239 HE1 PHE 32 HE1 PHE 32 2.918 -1.868 -0.515
240 HE2 PHE 32 HE2 PHE 32 1.180 -0.398 3.066
241 HZ PHE 32 HZ PHE 32 0.981 -1.528 0.793
242 H THR 33 HN THR 33 7.492 1.392 3.743
243 HA THR 33 HA THR 33 10.147 0.582 3.106
244 HB THR 33 HB THR 33 10.581 3.036 4.014
245 HG1 THR 33 HG1 THR 33 8.835 4.060 4.343
246 HG21 THR 33 HG21 THR 33 11.055 2.189 1.813
247 HG22 THR 33 HG22 THR 33 10.246 3.756 1.674
248 HG23 THR 33 HG23 THR 33 9.361 2.253 1.379
249 H ASP 34 HN ASP 34 9.978 -1.062 4.858
250 HA ASP 34 HA ASP 34 12.023 -0.459 6.675
251 HB2 ASP 34 HB2 ASP 34 10.262 0.714 7.917
252 HB3 ASP 34 HB1 ASP 34 9.318 -0.768 7.979
253 H ASP 35 HN ASP 35 9.162 -2.504 6.424
254 HA ASP 35 HA ASP 35 10.691 -4.883 7.125
255 HB2 ASP 35 HB2 ASP 35 7.789 -4.384 6.559
256 HB3 ASP 35 HB1 ASP 35 8.368 -6.018 6.685
257 H LEU 36 HN LEU 36 8.825 -3.644 4.404
258 HA LEU 36 HA LEU 36 9.535 -5.855 2.703
259 HB2 LEU 36 HB2 LEU 36 8.304 -3.179 2.047
260 HB3 LEU 36 HB1 LEU 36 8.502 -4.490 0.901
261 HG LEU 36 HG LEU 36 6.800 -4.622 3.386
262 HD11 LEU 36 HD11 LEU 36 5.901 -3.063 1.740
263 HD12 LEU 36 HD12 LEU 36 4.919 -4.527 1.828
264 HD13 LEU 36 HD13 LEU 36 6.040 -4.294 0.486
265 HD21 LEU 36 HD21 LEU 36 7.113 -6.509 1.058
266 HD22 LEU 36 HD22 LEU 36 5.960 -6.683 2.383
267 HD23 LEU 36 HD23 LEU 36 7.690 -6.780 2.702
268 H ASP 37 HN ASP 37 10.404 -2.477 2.957
269 HA ASP 37 HA ASP 37 12.281 -1.360 2.688
270 HB2 ASP 37 HB2 ASP 37 13.598 -3.452 3.287
271 HB3 ASP 37 HB1 ASP 37 13.673 -3.815 1.566
272 H VAL 38 HN VAL 38 11.294 -0.122 1.341
273 HA VAL 38 HA VAL 38 11.319 -0.787 -1.492
274 HB VAL 38 HB VAL 38 9.693 1.291 0.039
275 HG11 VAL 38 HG11 VAL 38 9.416 0.381 -2.822
276 HG12 VAL 38 HG12 VAL 38 10.013 1.952 -2.289
277 HG13 VAL 38 HG13 VAL 38 8.337 1.494 -1.981
278 HG21 VAL 38 HG21 VAL 38 7.781 -0.185 -0.321
279 HG22 VAL 38 HG22 VAL 38 9.032 -0.957 0.650
280 HG23 VAL 38 HG23 VAL 38 8.845 -1.387 -1.051
281 H ASP 39 HN ASP 39 11.037 2.470 -0.499
282 HA ASP 39 HA ASP 39 13.648 3.456 -0.516
283 HB2 ASP 39 HB2 ASP 39 13.425 2.452 -2.975
284 HB3 ASP 39 HB1 ASP 39 12.314 3.812 -3.161
285 H SER 40 HN SER 40 13.273 5.848 -1.689
286 HA SER 40 HA SER 40 11.174 7.028 -0.054
287 HB2 SER 40 HB2 SER 40 13.271 8.272 -1.856
288 HB3 SER 40 HB1 SER 40 12.151 9.176 -0.841
289 H LEU 41 HN LEU 41 12.075 6.640 -3.393
290 HA LEU 41 HA LEU 41 10.100 8.521 -4.367
291 HB2 LEU 41 HB2 LEU 41 11.943 6.705 -5.896
292 HB3 LEU 41 HB1 LEU 41 10.950 7.967 -6.594
293 HG LEU 41 HG LEU 41 13.224 8.383 -4.661
294 HD11 LEU 41 HD11 LEU 41 13.956 7.710 -6.873
295 HD12 LEU 41 HD12 LEU 41 14.334 9.408 -6.573
296 HD13 LEU 41 HD13 LEU 41 12.966 8.976 -7.599
297 HD21 LEU 41 HD21 LEU 41 11.469 10.379 -6.092
298 HD22 LEU 41 HD22 LEU 41 12.887 10.763 -5.115
299 HD23 LEU 41 HD23 LEU 41 11.465 10.046 -4.359
300 H SER 42 HN SER 42 10.574 5.032 -4.515
301 HA SER 42 HA SER 42 8.422 4.566 -6.243
302 HB2 SER 42 HB2 SER 42 8.945 2.182 -5.320
303 HB3 SER 42 HB1 SER 42 10.130 3.011 -6.338
304 HG SER 42 HG SER 42 10.990 2.092 -4.385
305 H MET 43 HN MET 43 8.783 4.988 -2.886
306 HA MET 43 HA MET 43 6.540 3.663 -1.846
307 HB2 MET 43 HB2 MET 43 8.333 4.596 -0.491
308 HB3 MET 43 HB1 MET 43 7.824 6.222 -0.924
309 HG2 MET 43 HG2 MET 43 7.093 5.441 1.300
310 HG3 MET 43 HG1 MET 43 5.798 6.002 0.231
311 HE1 MET 43 HE1 MET 43 7.677 2.766 -0.304
312 HE2 MET 43 HE2 MET 43 6.714 1.525 0.473
313 HE3 MET 43 HE3 MET 43 7.658 2.661 1.457
314 H VAL 44 HN VAL 44 6.964 6.905 -3.169
315 HA VAL 44 HA VAL 44 4.344 7.796 -2.585
316 HB VAL 44 HB VAL 44 6.352 8.915 -4.572
317 HG11 VAL 44 HG11 VAL 44 4.099 9.767 -4.960
318 HG12 VAL 44 HG12 VAL 44 5.146 11.032 -4.314
319 HG13 VAL 44 HG13 VAL 44 3.973 10.236 -3.263
320 HG21 VAL 44 HG21 VAL 44 6.986 10.470 -2.772
321 HG22 VAL 44 HG22 VAL 44 7.310 8.792 -2.331
322 HG23 VAL 44 HG23 VAL 44 5.910 9.620 -1.665
323 H GLU 45 HN GLU 45 5.899 6.175 -5.306
324 HA GLU 45 HA GLU 45 3.798 6.559 -7.135
325 HB2 GLU 45 HB2 GLU 45 5.960 4.461 -6.978
326 HB3 GLU 45 HB1 GLU 45 4.906 4.721 -8.364
327 HG2 GLU 45 HG2 GLU 45 5.830 6.911 -8.715
328 HG3 GLU 45 HG1 GLU 45 6.787 6.774 -7.244
329 H VAL 46 HN VAL 46 4.583 4.097 -4.729
330 HA VAL 46 HA VAL 46 2.555 2.265 -5.339
331 HB VAL 46 HB VAL 46 3.727 2.910 -2.590
332 HG11 VAL 46 HG11 VAL 46 1.594 1.723 -2.379
333 HG12 VAL 46 HG12 VAL 46 2.941 0.681 -1.924
334 HG13 VAL 46 HG13 VAL 46 2.165 0.483 -3.493
335 HG21 VAL 46 HG21 VAL 46 5.406 2.162 -4.199
336 HG22 VAL 46 HG22 VAL 46 4.430 0.742 -4.572
337 HG23 VAL 46 HG23 VAL 46 5.130 0.934 -2.965
338 H VAL 47 HN VAL 47 2.515 5.047 -3.130
339 HA VAL 47 HA VAL 47 -0.143 4.983 -2.272
340 HB VAL 47 HB VAL 47 1.465 7.454 -3.001
341 HG11 VAL 47 HG11 VAL 47 0.042 8.626 -1.371
342 HG12 VAL 47 HG12 VAL 47 -0.894 7.149 -1.136
343 HG13 VAL 47 HG13 VAL 47 -0.908 7.953 -2.694
344 HG21 VAL 47 HG21 VAL 47 2.121 7.509 -0.639
345 HG22 VAL 47 HG22 VAL 47 2.682 6.038 -1.436
346 HG23 VAL 47 HG23 VAL 47 1.273 5.985 -0.376
347 H VAL 48 HN VAL 48 1.125 7.041 -4.852
348 HA VAL 48 HA VAL 48 -1.122 7.909 -6.130
349 HB VAL 48 HB VAL 48 1.494 7.057 -7.418
350 HG11 VAL 48 HG11 VAL 48 -0.256 7.182 -9.121
351 HG12 VAL 48 HG12 VAL 48 0.888 8.514 -9.291
352 HG13 VAL 48 HG13 VAL 48 -0.694 8.796 -8.561
353 HG21 VAL 48 HG21 VAL 48 2.019 9.446 -7.343
354 HG22 VAL 48 HG22 VAL 48 1.719 8.797 -5.731
355 HG23 VAL 48 HG23 VAL 48 0.479 9.760 -6.537
356 H ALA 49 HN ALA 49 0.553 4.860 -6.993
357 HA ALA 49 HA ALA 49 -1.309 4.088 -8.953
358 HB1 ALA 49 HB1 ALA 49 0.543 2.312 -7.371
359 HB2 ALA 49 HB2 ALA 49 0.968 3.190 -8.842
360 HB3 ALA 49 HB3 ALA 49 -0.248 1.913 -8.896
361 H ALA 50 HN ALA 50 -1.180 3.451 -5.481
362 HA ALA 50 HA ALA 50 -3.160 1.461 -5.429
363 HB1 ALA 50 HB1 ALA 50 -2.466 3.427 -3.250
364 HB2 ALA 50 HB2 ALA 50 -1.657 1.888 -3.537
365 HB3 ALA 50 HB3 ALA 50 -3.352 1.915 -3.049
366 H GLU 51 HN GLU 51 -3.375 4.976 -5.326
367 HA GLU 51 HA GLU 51 -6.071 5.233 -4.715
368 HB2 GLU 51 HB2 GLU 51 -4.456 6.929 -6.624
369 HB3 GLU 51 HB1 GLU 51 -5.936 7.394 -5.803
370 HG2 GLU 51 HG2 GLU 51 -4.806 7.281 -3.654
371 HG3 GLU 51 HG1 GLU 51 -3.324 6.769 -4.460
372 H GLU 52 HN GLU 52 -4.490 4.821 -7.823
373 HA GLU 52 HA GLU 52 -6.950 4.869 -9.282
374 HB2 GLU 52 HB2 GLU 52 -4.880 5.633 -10.295
375 HB3 GLU 52 HB1 GLU 52 -4.192 4.023 -10.112
376 HG2 GLU 52 HG2 GLU 52 -5.933 3.147 -11.624
377 HG3 GLU 52 HG1 GLU 52 -6.542 4.785 -11.843
378 H ARG 53 HN ARG 53 -4.805 2.323 -8.093
379 HA ARG 53 HA ARG 53 -5.858 0.224 -9.687
380 HB2 ARG 53 HB2 ARG 53 -3.613 0.306 -8.500
381 HB3 ARG 53 HB1 ARG 53 -4.481 -0.082 -7.023
382 HG2 ARG 53 HG2 ARG 53 -3.539 -2.094 -7.910
383 HG3 ARG 53 HG1 ARG 53 -5.294 -2.168 -8.132
384 HD2 ARG 53 HD2 ARG 53 -4.998 -1.348 -10.447
385 HD3 ARG 53 HD1 ARG 53 -3.260 -1.343 -10.139
386 HE ARG 53 HE ARG 53 -3.622 -3.849 -9.754
387 HH11 ARG 53 HH11 ARG 53 -5.564 -1.982 -12.085
388 HH12 ARG 53 HH12 ARG 53 -5.508 -3.257 -13.243
389 HH21 ARG 53 HH21 ARG 53 -3.634 -5.471 -11.304
390 HH22 ARG 53 HH22 ARG 53 -4.449 -5.256 -12.821
391 H PHE 54 HN PHE 54 -6.592 1.502 -6.551
392 HA PHE 54 HA PHE 54 -8.502 -0.637 -6.027
393 HB2 PHE 54 HB2 PHE 54 -7.418 1.592 -4.310
394 HB3 PHE 54 HB1 PHE 54 -8.613 0.428 -3.769
395 HD1 PHE 54 HD2 PHE 54 -5.235 0.471 -5.351
396 HD2 PHE 54 HD1 PHE 54 -7.816 -1.385 -2.545
397 HE1 PHE 54 HE2 PHE 54 -3.435 -1.088 -4.673
398 HE2 PHE 54 HE1 PHE 54 -6.020 -2.905 -1.885
399 HZ PHE 54 HZ PHE 54 -3.788 -2.633 -2.856
400 H ASP 55 HN ASP 55 -8.428 2.267 -7.532
401 HA ASP 55 HA ASP 55 -9.897 3.797 -8.267
402 HB2 ASP 55 HB2 ASP 55 -11.918 1.682 -7.495
403 HB3 ASP 55 HB1 ASP 55 -12.343 3.163 -8.346
404 H VAL 56 HN VAL 56 -9.128 3.721 -5.457
405 HA VAL 56 HA VAL 56 -11.321 5.297 -4.297
406 HB VAL 56 HB VAL 56 -10.328 4.836 -2.061
407 HG11 VAL 56 HG11 VAL 56 -10.867 2.326 -3.607
408 HG12 VAL 56 HG12 VAL 56 -12.062 3.365 -2.811
409 HG13 VAL 56 HG13 VAL 56 -10.856 2.505 -1.850
410 HG21 VAL 56 HG21 VAL 56 -7.994 4.544 -2.716
411 HG22 VAL 56 HG22 VAL 56 -8.410 3.045 -3.551
412 HG23 VAL 56 HG23 VAL 56 -8.565 3.147 -1.800
413 H LYS 57 HN LYS 57 -9.959 6.670 -2.374
414 HA LYS 57 HA LYS 57 -7.667 7.908 -3.713
415 HB2 LYS 57 HB2 LYS 57 -9.820 9.350 -2.142
416 HB3 LYS 57 HB1 LYS 57 -8.310 10.063 -2.673
417 HG2 LYS 57 HG2 LYS 57 -10.589 9.120 -4.403
418 HG3 LYS 57 HG1 LYS 57 -10.069 10.782 -4.122
419 HD2 LYS 57 HD2 LYS 57 -8.561 8.621 -5.601
420 HD3 LYS 57 HD1 LYS 57 -9.309 10.053 -6.296
421 HE2 LYS 57 HE2 LYS 57 -6.946 9.993 -4.412
422 HE3 LYS 57 HE1 LYS 57 -6.883 10.283 -6.143
423 HZ1 LYS 57 HZ1 LYS 57 -8.049 12.072 -4.060
424 HZ2 LYS 57 HZ2 LYS 57 -8.320 12.274 -5.701
425 HZ3 LYS 57 HZ3 LYS 57 -6.743 12.358 -5.106
426 H ILE 58 HN ILE 58 -5.969 7.658 -2.635
427 HA ILE 58 HA ILE 58 -6.090 7.603 0.283
428 HB ILE 58 HB ILE 58 -4.082 6.056 -1.399
429 HG12 ILE 58 HG12 ILE 58 -6.499 4.886 0.003
430 HG13 ILE 58 HG11 ILE 58 -6.402 5.160 -1.732
431 HG21 ILE 58 HG21 ILE 58 -3.384 6.653 0.864
432 HG22 ILE 58 HG22 ILE 58 -3.633 4.908 0.732
433 HG23 ILE 58 HG23 ILE 58 -4.849 5.914 1.516
434 HD11 ILE 58 HD11 ILE 58 -4.536 3.595 -1.873
435 HD12 ILE 58 HD12 ILE 58 -5.965 2.844 -1.162
436 HD13 ILE 58 HD13 ILE 58 -4.627 3.340 -0.130
437 HA PRO 59 HA PRO 59 -3.651 10.987 -1.562
438 HB2 PRO 59 HB2 PRO 59 -3.980 12.749 0.479
439 HB3 PRO 59 HB1 PRO 59 -5.155 12.537 -0.824
440 HG2 PRO 59 HG2 PRO 59 -5.191 11.460 1.956
441 HG3 PRO 59 HG1 PRO 59 -6.526 12.093 0.979
442 HD2 PRO 59 HD2 PRO 59 -6.066 9.431 1.333
443 HD3 PRO 59 HD1 PRO 59 -6.828 10.102 -0.123
444 H ASP 60 HN ASP 60 -1.581 11.408 -1.351
445 HA ASP 60 HA ASP 60 0.282 10.264 0.205
446 HB2 ASP 60 HB2 ASP 60 0.913 11.621 -1.678
447 HB3 ASP 60 HB1 ASP 60 0.314 13.077 -0.899
448 H ASP 61 HN ASP 61 -1.734 12.865 1.251
449 HA ASP 61 HA ASP 61 -0.272 13.543 3.602
450 HB2 ASP 61 HB2 ASP 61 -3.196 13.926 2.955
451 HB3 ASP 61 HB1 ASP 61 -2.410 14.556 4.392
452 H ASP 62 HN ASP 62 -3.267 11.620 3.216
453 HA ASP 62 HA ASP 62 -3.222 10.789 5.991
454 HB2 ASP 62 HB2 ASP 62 -5.015 9.999 3.702
455 HB3 ASP 62 HB1 ASP 62 -5.162 9.314 5.310
456 H VAL 63 HN VAL 63 -2.040 9.533 3.090
457 HA VAL 63 HA VAL 63 -1.986 6.826 3.792
458 HB VAL 63 HB VAL 63 -1.602 7.930 1.511
459 HG11 VAL 63 HG11 VAL 63 0.198 9.391 2.029
460 HG12 VAL 63 HG12 VAL 63 0.709 8.221 0.811
461 HG13 VAL 63 HG13 VAL 63 1.220 8.030 2.489
462 HG21 VAL 63 HG21 VAL 63 -0.256 6.061 0.712
463 HG22 VAL 63 HG22 VAL 63 -1.576 5.589 1.783
464 HG23 VAL 63 HG23 VAL 63 0.082 5.624 2.390
465 H LYS 64 HN LYS 64 -0.124 9.473 4.878
466 HA LYS 64 HA LYS 64 2.196 8.055 5.605
467 HB2 LYS 64 HB2 LYS 64 1.239 10.732 6.604
468 HB3 LYS 64 HB1 LYS 64 2.867 10.085 6.798
469 HG2 LYS 64 HG2 LYS 64 3.074 10.016 4.334
470 HG3 LYS 64 HG1 LYS 64 1.496 10.782 4.212
471 HD2 LYS 64 HD2 LYS 64 2.387 12.690 5.536
472 HD3 LYS 64 HD1 LYS 64 3.980 11.929 5.472
473 HE2 LYS 64 HE2 LYS 64 2.325 12.883 3.140
474 HE3 LYS 64 HE1 LYS 64 3.831 13.585 3.730
475 HZ1 LYS 64 HZ1 LYS 64 3.503 10.884 2.582
476 HZ2 LYS 64 HZ2 LYS 64 4.971 11.536 3.122
477 HZ3 LYS 64 HZ3 LYS 64 4.163 12.195 1.776
478 H ASN 65 HN ASN 65 -0.793 7.878 6.880
479 HA ASN 65 HA ASN 65 0.192 7.222 9.578
480 HB2 ASN 65 HB2 ASN 65 -1.680 8.861 9.483
481 HB3 ASN 65 HB1 ASN 65 -2.654 7.694 8.608
482 HD21 ASN 65 HD21 ASN 65 -4.247 7.809 10.188
483 HD22 ASN 65 HD22 ASN 65 -4.093 7.025 11.721
484 H LEU 66 HN LEU 66 -0.065 5.785 6.760
485 HA LEU 66 HA LEU 66 -1.414 3.408 7.730
486 HB2 LEU 66 HB2 LEU 66 -0.342 3.963 4.966
487 HB3 LEU 66 HB1 LEU 66 -1.293 2.571 5.455
488 HG LEU 66 HG LEU 66 -2.220 5.437 5.324
489 HD11 LEU 66 HD11 LEU 66 -3.758 4.613 3.620
490 HD12 LEU 66 HD12 LEU 66 -3.017 3.016 3.747
491 HD13 LEU 66 HD13 LEU 66 -2.069 4.387 3.166
492 HD21 LEU 66 HD21 LEU 66 -3.239 4.338 7.242
493 HD22 LEU 66 HD22 LEU 66 -3.737 2.989 6.218
494 HD23 LEU 66 HD23 LEU 66 -4.429 4.587 5.964
495 H LYS 67 HN LYS 67 1.553 3.913 5.835
496 HA LYS 67 HA LYS 67 3.461 2.957 5.737
497 HB2 LYS 67 HB2 LYS 67 4.837 2.595 7.859
498 HB3 LYS 67 HB1 LYS 67 4.225 4.203 7.558
499 HG2 LYS 67 HG2 LYS 67 4.084 3.712 9.902
500 HG3 LYS 67 HG1 LYS 67 2.453 3.788 9.247
501 HD2 LYS 67 HD2 LYS 67 2.457 1.305 9.123
502 HD3 LYS 67 HD1 LYS 67 4.031 1.303 9.921
503 HE2 LYS 67 HE2 LYS 67 3.078 2.357 11.879
504 HE3 LYS 67 HE1 LYS 67 1.533 2.544 11.048
505 HZ1 LYS 67 HZ1 LYS 67 1.671 0.677 12.636
506 HZ2 LYS 67 HZ2 LYS 67 2.763 -0.100 11.608
507 HZ3 LYS 67 HZ3 LYS 67 1.164 0.253 11.089
508 H THR 68 HN THR 68 1.270 0.861 7.239
509 HA THR 68 HA THR 68 2.990 -1.298 6.220
510 HB THR 68 HB THR 68 1.598 -2.935 7.398
511 HG1 THR 68 HG1 THR 68 0.422 -0.988 9.063
512 HG21 THR 68 HG21 THR 68 2.849 -0.928 9.275
513 HG22 THR 68 HG22 THR 68 3.642 -2.284 8.439
514 HG23 THR 68 HG23 THR 68 2.423 -2.609 9.654
515 H VAL 69 HN VAL 69 1.862 -3.077 5.388
516 HA VAL 69 HA VAL 69 0.026 -2.476 3.336
517 HB VAL 69 HB VAL 69 -0.113 -5.083 3.320
518 HG11 VAL 69 HG11 VAL 69 2.558 -3.667 3.058
519 HG12 VAL 69 HG12 VAL 69 1.325 -3.742 1.795
520 HG13 VAL 69 HG13 VAL 69 2.143 -5.214 2.322
521 HG21 VAL 69 HG21 VAL 69 2.167 -4.646 5.232
522 HG22 VAL 69 HG22 VAL 69 1.686 -6.181 4.507
523 HG23 VAL 69 HG23 VAL 69 0.603 -5.356 5.627
524 H GLY 70 HN GLY 70 -0.251 -3.796 6.572
525 HA2 GLY 70 HA2 GLY 70 -2.967 -4.574 6.370
526 HA3 GLY 70 HA1 GLY 70 -2.056 -4.407 7.875
527 H ASP 71 HN ASP 71 -1.365 -1.771 7.855
528 HA ASP 71 HA ASP 71 -3.714 -0.440 8.674
529 HB2 ASP 71 HB2 ASP 71 -1.011 0.695 7.931
530 HB3 ASP 71 HB1 ASP 71 -2.334 1.696 8.481
531 H ALA 72 HN ALA 72 -1.920 -0.378 5.640
532 HA ALA 72 HA ALA 72 -3.348 1.626 4.331
533 HB1 ALA 72 HB1 ALA 72 -2.143 -0.874 3.130
534 HB2 ALA 72 HB2 ALA 72 -1.291 0.643 3.427
535 HB3 ALA 72 HB3 ALA 72 -2.599 0.583 2.244
536 H THR 73 HN THR 73 -3.831 -1.899 3.976
537 HA THR 73 HA THR 73 -6.208 -2.031 2.743
538 HB THR 73 HB THR 73 -5.156 -3.720 5.001
539 HG1 THR 73 HG1 THR 73 -3.695 -3.883 3.448
540 HG21 THR 73 HG21 THR 73 -7.181 -4.368 2.847
541 HG22 THR 73 HG22 THR 73 -7.552 -4.159 4.554
542 HG23 THR 73 HG23 THR 73 -6.542 -5.515 4.028
543 H LYS 74 HN LYS 74 -5.730 -1.535 6.222
544 HA LYS 74 HA LYS 74 -8.372 -1.720 7.079
545 HB2 LYS 74 HB2 LYS 74 -6.306 -1.709 8.477
546 HB3 LYS 74 HB1 LYS 74 -6.142 0.004 8.159
547 HG2 LYS 74 HG2 LYS 74 -8.175 0.451 9.389
548 HG3 LYS 74 HG1 LYS 74 -8.427 -1.283 9.635
549 HD2 LYS 74 HD2 LYS 74 -6.255 -1.407 10.793
550 HD3 LYS 74 HD1 LYS 74 -6.081 0.337 10.615
551 HE2 LYS 74 HE2 LYS 74 -8.076 0.682 11.968
552 HE3 LYS 74 HE1 LYS 74 -8.287 -1.065 12.117
553 HZ1 LYS 74 HZ1 LYS 74 -7.196 -0.119 14.067
554 HZ2 LYS 74 HZ2 LYS 74 -5.915 0.441 13.091
555 HZ3 LYS 74 HZ3 LYS 74 -6.215 -1.219 13.253
556 H TYR 75 HN TYR 75 -6.529 0.991 5.816
557 HA TYR 75 HA TYR 75 -8.631 2.939 6.132
558 HB2 TYR 75 HB2 TYR 75 -6.330 3.724 6.161
559 HB3 TYR 75 HB1 TYR 75 -6.023 3.005 4.589
560 HD1 TYR 75 HD1 TYR 75 -7.649 5.794 6.358
561 HD2 TYR 75 HD2 TYR 75 -6.718 4.145 2.548
562 HE1 TYR 75 HE1 TYR 75 -8.213 7.934 5.312
563 HE2 TYR 75 HE2 TYR 75 -7.293 6.287 1.479
564 HH TYR 75 HH TYR 75 -8.580 8.374 1.919
565 H ILE 76 HN ILE 76 -7.340 0.934 3.540
566 HA ILE 76 HA ILE 76 -8.902 2.090 1.481
567 HB ILE 76 HB ILE 76 -7.655 -0.667 1.623
568 HG12 ILE 76 HG12 ILE 76 -6.587 1.878 0.380
569 HG13 ILE 76 HG11 ILE 76 -6.055 1.205 1.917
570 HG21 ILE 76 HG21 ILE 76 -7.788 -0.592 -0.845
571 HG22 ILE 76 HG22 ILE 76 -8.608 0.967 -0.748
572 HG23 ILE 76 HG23 ILE 76 -9.390 -0.482 -0.113
573 HD11 ILE 76 HD11 ILE 76 -5.236 -0.775 0.765
574 HD12 ILE 76 HD12 ILE 76 -4.494 0.698 0.137
575 HD13 ILE 76 HD13 ILE 76 -5.779 -0.105 -0.774
576 H LEU 77 HN LEU 77 -9.372 -0.665 3.600
577 HA LEU 77 HA LEU 77 -11.807 -1.511 2.422
578 HB2 LEU 77 HB2 LEU 77 -10.403 -2.857 3.995
579 HB3 LEU 77 HB1 LEU 77 -10.956 -1.822 5.299
580 HG LEU 77 HG LEU 77 -13.294 -2.537 4.721
581 HD11 LEU 77 HD11 LEU 77 -13.585 -4.615 3.512
582 HD12 LEU 77 HD12 LEU 77 -11.871 -4.606 3.095
583 HD13 LEU 77 HD13 LEU 77 -12.932 -3.330 2.497
584 HD21 LEU 77 HD21 LEU 77 -13.109 -4.662 5.905
585 HD22 LEU 77 HD22 LEU 77 -12.125 -3.405 6.652
586 HD23 LEU 77 HD23 LEU 77 -11.365 -4.643 5.650
587 H ASP 78 HN ASP 78 -10.984 0.986 4.534
588 HA ASP 78 HA ASP 78 -13.707 1.495 5.478
589 HB2 ASP 78 HB2 ASP 78 -11.807 1.980 6.978
590 HB3 ASP 78 HB1 ASP 78 -11.198 3.162 5.827
591 H HIS 79 HN HIS 79 -11.396 2.908 3.282
592 HA HIS 79 HA HIS 79 -13.196 5.046 2.483
593 HB2 HIS 79 HB2 HIS 79 -10.406 4.754 2.638
594 HB3 HIS 79 HB1 HIS 79 -10.787 4.930 0.927
595 HD1 HIS 79 HD1 HIS 79 -11.252 7.260 0.115
596 HD2 HIS 79 HD2 HIS 79 -11.373 6.950 4.252
597 HE1 HIS 79 HE1 HIS 79 -11.397 9.614 0.963
598 HE2 HIS 79 HE2 HIS 79 -11.112 9.375 3.454
599 H GLN 80 HN GLN 80 -13.029 1.945 1.670
600 HA GLN 80 HA GLN 80 -12.827 1.330 -0.877
601 HB2 GLN 80 HB2 GLN 80 -14.956 0.694 1.045
602 HB3 GLN 80 HB1 GLN 80 -15.063 0.030 -0.595
603 HG2 GLN 80 HG2 GLN 80 -12.873 -0.334 1.425
604 HG3 GLN 80 HG1 GLN 80 -14.085 -1.529 0.965
605 HE21 GLN 80 HE21 GLN 80 -11.208 -1.598 0.834
606 HE22 GLN 80 HE22 GLN 80 -10.793 -1.909 -0.809
607 H ALA 81 HN ALA 81 -13.662 1.602 -2.797
608 HA ALA 81 HA ALA 81 -16.045 3.213 -3.102
609 HB1 ALA 81 HB1 ALA 81 -14.098 4.593 -3.637
610 HB2 ALA 81 HB2 ALA 81 -14.996 4.211 -5.109
611 HB3 ALA 81 HB3 ALA 81 -13.502 3.349 -4.736
612 H2 SHW 101 H2A SHW 101 2.129 5.705 1.953
613 H2A SHW 101 H2B SHW 101 3.759 5.276 1.454
614 H3 SHW 101 H3A SHW 101 2.225 4.021 3.775
615 HO3 SHW 101 HO3 SHW 101 4.715 3.362 2.607
616 H4 SHW 101 H4A SHW 101 2.273 2.003 2.392
617 H4A SHW 101 H4B SHW 101 3.120 2.862 1.117
618 H5 SHW 101 H5A SHW 101 1.158 4.274 0.776
619 H5A SHW 101 H5B SHW 101 0.305 3.343 2.010
620 H6 SHW 101 H6A SHW 101 0.556 1.318 0.697
621 H6A SHW 101 H6B SHW 101 1.482 2.195 -0.519
622 H7 SHW 101 H7A SHW 101 -0.806 1.900 -1.284
623 H7A SHW 101 H7B SHW 101 -0.500 3.617 -0.964
624 H8 SHW 101 H8C SHW 101 -2.675 2.910 -0.094
625 H8A SHW 101 H8A SHW 101 -1.591 3.387 1.214
626 H8B SHW 101 H8B SHW 101 -1.881 1.679 0.889
627 H28 SHW 101 H28A SHW 101 12.246 11.373 1.863
628 H28A SHW 101 H28B SHW 101 12.539 10.841 0.213
629 H30 SHW 101 H30A SHW 101 9.684 13.288 0.198
630 H30A SHW 101 H30B SHW 101 11.370 13.051 -0.263
631 H30B SHW 101 H30C SHW 101 10.938 13.249 1.435
632 H31 SHW 101 H31A SHW 101 10.796 11.075 -1.486
633 H31A SHW 101 H31B SHW 101 9.090 11.177 -1.043
634 H31B SHW 101 H31C SHW 101 10.002 9.708 -0.703
635 H32 SHW 101 H32A SHW 101 9.677 11.110 2.677
636 HO33 SHW 101 H33A SHW 101 7.455 11.412 1.227
637 HN36 SHW 101 H36A SHW 101 10.398 8.952 1.901
638 H37 SHW 101 H37A SHW 101 8.062 7.122 1.566
639 H37A SHW 101 H37B SHW 101 9.589 6.872 0.758
640 H38 SHW 101 H38A SHW 101 9.612 5.404 2.533
641 H38A SHW 101 H38B SHW 101 10.709 6.723 3.019
642 HN41 SHW 101 H41A SHW 101 7.687 7.906 3.236
643 H42 SHW 101 H42A SHW 101 7.051 6.868 5.882
644 H42A SHW 101 H42B SHW 101 7.142 8.617 5.574
645 H43 SHW 101 H43A SHW 101 5.380 8.444 3.935
646 H43A SHW 101 H43B SHW 101 4.816 7.704 5.453
Start of MODEL 11
1 H1 ALA 1 HT1 ALA 1 -16.314 -0.891 -3.208
2 H2 ALA 1 HT2 ALA 1 -16.452 -2.413 -3.916
3 H3 ALA 1 HT3 ALA 1 -14.996 -1.612 -3.977
4 HA ALA 1 HA ALA 1 -14.686 -1.842 -1.601
5 HB1 ALA 1 HB1 ALA 1 -17.208 -3.498 -1.766
6 HB2 ALA 1 HB2 ALA 1 -17.069 -1.927 -0.977
7 HB3 ALA 1 HB3 ALA 1 -16.180 -3.315 -0.345
8 H ALA 2 HN ALA 2 -13.416 -3.800 -0.810
9 HA ALA 2 HA ALA 2 -13.393 -5.914 -2.742
10 HB1 ALA 2 HB1 ALA 2 -11.810 -4.299 -3.676
11 HB2 ALA 2 HB2 ALA 2 -10.948 -5.675 -2.993
12 HB3 ALA 2 HB3 ALA 2 -11.017 -4.150 -2.108
13 H THR 3 HN THR 3 -12.270 -7.733 -1.777
14 HA THR 3 HA THR 3 -12.627 -7.800 1.019
15 HB THR 3 HB THR 3 -11.509 -9.986 0.953
16 HG1 THR 3 HG1 THR 3 -11.001 -10.370 -1.619
17 HG21 THR 3 HG21 THR 3 -12.952 -11.129 -0.679
18 HG22 THR 3 HG22 THR 3 -13.320 -9.570 -1.428
19 HG23 THR 3 HG23 THR 3 -13.837 -9.899 0.222
20 H GLN 4 HN GLN 4 -10.850 -8.159 2.520
21 HA GLN 4 HA GLN 4 -9.021 -6.051 2.178
22 HB2 GLN 4 HB2 GLN 4 -9.231 -8.147 4.301
23 HB3 GLN 4 HB1 GLN 4 -8.148 -6.754 4.377
24 HG2 GLN 4 HG2 GLN 4 -10.088 -5.272 4.109
25 HG3 GLN 4 HG1 GLN 4 -11.142 -6.631 4.121
26 HE21 GLN 4 HE21 GLN 4 -9.003 -4.711 6.068
27 HE22 GLN 4 HE22 GLN 4 -9.511 -5.299 7.604
28 H GLU 5 HN GLU 5 -9.002 -9.322 1.495
29 HA GLU 5 HA GLU 5 -6.152 -9.786 1.372
30 HB2 GLU 5 HB2 GLU 5 -8.459 -11.257 0.092
31 HB3 GLU 5 HB1 GLU 5 -6.785 -11.773 0.003
32 HG2 GLU 5 HG2 GLU 5 -6.771 -12.021 2.450
33 HG3 GLU 5 HG1 GLU 5 -8.482 -11.581 2.473
34 H GLU 6 HN GLU 6 -8.750 -8.975 -0.819
35 HA GLU 6 HA GLU 6 -7.371 -8.878 -3.253
36 HB2 GLU 6 HB2 GLU 6 -9.865 -8.753 -2.805
37 HB3 GLU 6 HB1 GLU 6 -9.623 -7.085 -2.339
38 HG2 GLU 6 HG2 GLU 6 -10.411 -6.981 -4.508
39 HG3 GLU 6 HG1 GLU 6 -8.667 -6.779 -4.685
40 H ILE 7 HN ILE 7 -7.886 -6.568 -0.704
41 HA ILE 7 HA ILE 7 -6.728 -4.282 -1.857
42 HB ILE 7 HB ILE 7 -6.774 -5.121 1.044
43 HG12 ILE 7 HG12 ILE 7 -8.823 -3.608 -0.605
44 HG13 ILE 7 HG11 ILE 7 -8.977 -5.184 0.105
45 HG21 ILE 7 HG21 ILE 7 -5.236 -3.283 0.599
46 HG22 ILE 7 HG22 ILE 7 -6.643 -2.699 1.489
47 HG23 ILE 7 HG23 ILE 7 -6.507 -2.398 -0.243
48 HD11 ILE 7 HD11 ILE 7 -8.699 -2.643 1.680
49 HD12 ILE 7 HD12 ILE 7 -8.892 -4.268 2.337
50 HD13 ILE 7 HD13 ILE 7 -10.192 -3.544 1.403
51 H VAL 8 HN VAL 8 -5.357 -6.487 0.571
52 HA VAL 8 HA VAL 8 -2.746 -5.682 0.429
53 HB VAL 8 HB VAL 8 -3.959 -8.357 1.136
54 HG11 VAL 8 HG11 VAL 8 -1.806 -8.896 2.202
55 HG12 VAL 8 HG12 VAL 8 -1.109 -7.426 1.469
56 HG13 VAL 8 HG13 VAL 8 -1.713 -8.739 0.444
57 HG21 VAL 8 HG21 VAL 8 -4.559 -6.455 2.562
58 HG22 VAL 8 HG22 VAL 8 -2.869 -6.075 2.790
59 HG23 VAL 8 HG23 VAL 8 -3.522 -7.582 3.439
60 H ALA 9 HN ALA 9 -4.376 -8.109 -1.553
61 HA ALA 9 HA ALA 9 -2.134 -8.992 -3.027
62 HB1 ALA 9 HB1 ALA 9 -5.026 -8.891 -3.902
63 HB2 ALA 9 HB2 ALA 9 -4.269 -10.211 -3.010
64 HB3 ALA 9 HB3 ALA 9 -3.754 -9.851 -4.659
65 H GLY 10 HN GLY 10 -4.431 -6.387 -3.539
66 HA2 GLY 10 HA2 GLY 10 -3.484 -5.476 -6.034
67 HA3 GLY 10 HA1 GLY 10 -4.382 -4.529 -4.844
68 H LEU 11 HN LEU 11 -2.711 -4.679 -2.720
69 HA LEU 11 HA LEU 11 -0.774 -2.726 -3.273
70 HB2 LEU 11 HB2 LEU 11 -1.045 -4.627 -0.953
71 HB3 LEU 11 HB1 LEU 11 0.119 -3.324 -1.016
72 HG LEU 11 HG LEU 11 -2.881 -2.972 -1.062
73 HD11 LEU 11 HD11 LEU 11 -2.601 -2.127 1.218
74 HD12 LEU 11 HD12 LEU 11 -0.887 -2.530 1.158
75 HD13 LEU 11 HD13 LEU 11 -2.100 -3.812 1.088
76 HD21 LEU 11 HD21 LEU 11 -2.367 -0.605 -0.711
77 HD22 LEU 11 HD22 LEU 11 -1.680 -1.190 -2.226
78 HD23 LEU 11 HD23 LEU 11 -0.642 -0.960 -0.819
79 H ALA 12 HN ALA 12 -0.519 -6.200 -2.763
80 HA ALA 12 HA ALA 12 2.222 -6.472 -2.934
81 HB1 ALA 12 HB1 ALA 12 0.174 -8.514 -3.803
82 HB2 ALA 12 HB2 ALA 12 0.653 -8.211 -2.140
83 HB3 ALA 12 HB3 ALA 12 1.826 -8.847 -3.272
84 H GLU 13 HN GLU 13 -0.152 -6.574 -5.574
85 HA GLU 13 HA GLU 13 1.802 -7.133 -7.559
86 HB2 GLU 13 HB2 GLU 13 0.065 -6.428 -9.224
87 HB3 GLU 13 HB1 GLU 13 -0.488 -7.658 -8.096
88 HG2 GLU 13 HG2 GLU 13 -1.644 -5.984 -6.807
89 HG3 GLU 13 HG1 GLU 13 -1.033 -4.721 -7.861
90 H ILE 14 HN ILE 14 0.469 -4.142 -6.458
91 HA ILE 14 HA ILE 14 1.760 -2.428 -8.239
92 HB ILE 14 HB ILE 14 0.739 -2.080 -5.428
93 HG12 ILE 14 HG12 ILE 14 -0.322 -1.101 -8.061
94 HG13 ILE 14 HG11 ILE 14 -0.769 -2.630 -7.319
95 HG21 ILE 14 HG21 ILE 14 1.701 0.070 -7.309
96 HG22 ILE 14 HG22 ILE 14 2.482 -0.420 -5.804
97 HG23 ILE 14 HG23 ILE 14 0.886 0.337 -5.762
98 HD11 ILE 14 HD11 ILE 14 -1.174 0.087 -6.102
99 HD12 ILE 14 HD12 ILE 14 -1.618 -1.494 -5.418
100 HD13 ILE 14 HD13 ILE 14 -2.411 -0.920 -6.890
101 H VAL 15 HN VAL 15 2.597 -3.447 -4.943
102 HA VAL 15 HA VAL 15 5.026 -2.089 -4.756
103 HB VAL 15 HB VAL 15 4.060 -4.546 -3.276
104 HG11 VAL 15 HG11 VAL 15 6.407 -2.756 -2.608
105 HG12 VAL 15 HG12 VAL 15 6.508 -4.433 -3.143
106 HG13 VAL 15 HG13 VAL 15 5.774 -4.048 -1.588
107 HG21 VAL 15 HG21 VAL 15 3.613 -2.957 -1.479
108 HG22 VAL 15 HG22 VAL 15 2.706 -2.582 -2.944
109 HG23 VAL 15 HG23 VAL 15 4.137 -1.639 -2.527
110 H ASN 16 HN ASN 16 4.299 -5.315 -5.989
111 HA ASN 16 HA ASN 16 6.984 -6.137 -6.151
112 HB2 ASN 16 HB2 ASN 16 4.918 -7.595 -6.408
113 HB3 ASN 16 HB1 ASN 16 4.831 -7.007 -8.063
114 HD21 ASN 16 HD21 ASN 16 7.657 -7.871 -6.114
115 HD22 ASN 16 HD22 ASN 16 8.240 -9.098 -7.162
116 H GLU 17 HN GLU 17 4.918 -4.353 -8.336
117 HA GLU 17 HA GLU 17 6.829 -4.406 -10.473
118 HB2 GLU 17 HB2 GLU 17 4.417 -4.417 -10.873
119 HB3 GLU 17 HB1 GLU 17 4.286 -2.833 -10.127
120 HG2 GLU 17 HG2 GLU 17 5.527 -1.834 -11.899
121 HG3 GLU 17 HG1 GLU 17 5.891 -3.414 -12.597
122 H ILE 18 HN ILE 18 5.629 -1.930 -8.242
123 HA ILE 18 HA ILE 18 7.392 0.073 -9.330
124 HB ILE 18 HB ILE 18 5.531 0.136 -6.933
125 HG12 ILE 18 HG12 ILE 18 5.372 1.581 -9.533
126 HG13 ILE 18 HG11 ILE 18 4.570 0.007 -9.310
127 HG21 ILE 18 HG21 ILE 18 7.409 1.646 -6.600
128 HG22 ILE 18 HG22 ILE 18 5.908 2.521 -6.906
129 HG23 ILE 18 HG23 ILE 18 7.115 2.361 -8.186
130 HD11 ILE 18 HD11 ILE 18 3.246 1.084 -7.515
131 HD12 ILE 18 HD12 ILE 18 3.022 1.852 -9.088
132 HD13 ILE 18 HD13 ILE 18 4.053 2.608 -7.876
133 H ALA 19 HN ALA 19 7.154 -1.571 -6.186
134 HA ALA 19 HA ALA 19 9.581 -0.328 -5.216
135 HB1 ALA 19 HB1 ALA 19 7.704 -0.773 -3.719
136 HB2 ALA 19 HB2 ALA 19 9.155 -1.636 -3.207
137 HB3 ALA 19 HB3 ALA 19 7.858 -2.502 -4.030
138 H GLY 20 HN GLY 20 8.550 -3.459 -6.451
139 HA2 GLY 20 HA2 GLY 20 9.969 -4.946 -7.607
140 HA3 GLY 20 HA1 GLY 20 11.362 -4.165 -6.866
141 H ILE 21 HN ILE 21 8.954 -4.686 -4.640
142 HA ILE 21 HA ILE 21 10.503 -6.848 -3.442
143 HB ILE 21 HB ILE 21 8.186 -5.248 -2.291
144 HG12 ILE 21 HG12 ILE 21 10.153 -3.827 -2.638
145 HG13 ILE 21 HG11 ILE 21 9.878 -4.089 -0.922
146 HG21 ILE 21 HG21 ILE 21 8.825 -6.181 -0.115
147 HG22 ILE 21 HG22 ILE 21 10.048 -7.176 -0.901
148 HG23 ILE 21 HG23 ILE 21 8.344 -7.449 -1.243
149 HD11 ILE 21 HD11 ILE 21 11.949 -5.478 -2.617
150 HD12 ILE 21 HD12 ILE 21 11.681 -5.748 -0.895
151 HD13 ILE 21 HD13 ILE 21 12.247 -4.176 -1.466
152 HA PRO 22 HA PRO 22 7.961 -10.306 -4.859
153 HB2 PRO 22 HB2 PRO 22 8.046 -11.197 -2.115
154 HB3 PRO 22 HB1 PRO 22 8.834 -11.886 -3.535
155 HG2 PRO 22 HG2 PRO 22 9.918 -10.063 -1.498
156 HG3 PRO 22 HG1 PRO 22 10.780 -11.108 -2.642
157 HD2 PRO 22 HD2 PRO 22 10.812 -8.443 -2.936
158 HD3 PRO 22 HD1 PRO 22 10.679 -9.550 -4.336
159 H VAL 23 HN VAL 23 5.946 -10.271 -5.212
160 HA VAL 23 HA VAL 23 3.800 -9.010 -3.965
161 HB VAL 23 HB VAL 23 3.863 -11.699 -5.403
162 HG11 VAL 23 HG11 VAL 23 1.796 -11.503 -4.136
163 HG12 VAL 23 HG12 VAL 23 1.499 -11.414 -5.870
164 HG13 VAL 23 HG13 VAL 23 1.472 -9.942 -4.895
165 HG21 VAL 23 HG21 VAL 23 3.238 -8.953 -6.429
166 HG22 VAL 23 HG22 VAL 23 3.113 -10.451 -7.352
167 HG23 VAL 23 HG23 VAL 23 4.685 -9.896 -6.774
168 H GLU 24 HN GLU 24 5.425 -11.918 -3.289
169 HA GLU 24 HA GLU 24 3.428 -12.864 -1.597
170 HB2 GLU 24 HB2 GLU 24 6.157 -13.994 -2.135
171 HB3 GLU 24 HB1 GLU 24 4.906 -14.819 -1.211
172 HG2 GLU 24 HG2 GLU 24 3.494 -14.999 -3.093
173 HG3 GLU 24 HG1 GLU 24 4.489 -13.880 -4.026
174 H ASP 25 HN ASP 25 6.357 -11.060 -1.196
175 HA ASP 25 HA ASP 25 6.552 -11.664 1.634
176 HB2 ASP 25 HB2 ASP 25 8.629 -11.093 0.222
177 HB3 ASP 25 HB1 ASP 25 8.025 -9.443 0.197
178 H VAL 26 HN VAL 26 4.997 -9.530 -0.452
179 HA VAL 26 HA VAL 26 4.362 -7.494 1.444
180 HB VAL 26 HB VAL 26 2.963 -8.243 -1.154
181 HG11 VAL 26 HG11 VAL 26 1.565 -6.919 0.318
182 HG12 VAL 26 HG12 VAL 26 2.061 -6.019 -1.118
183 HG13 VAL 26 HG13 VAL 26 2.840 -5.693 0.445
184 HG21 VAL 26 HG21 VAL 26 5.069 -6.160 -0.614
185 HG22 VAL 26 HG22 VAL 26 4.219 -6.399 -2.143
186 HG23 VAL 26 HG23 VAL 26 5.292 -7.657 -1.523
187 H LYS 27 HN LYS 27 3.883 -8.939 3.094
188 HA LYS 27 HA LYS 27 1.310 -10.368 3.115
189 HB2 LYS 27 HB2 LYS 27 3.480 -10.107 5.231
190 HB3 LYS 27 HB1 LYS 27 2.124 -11.238 5.261
191 HG2 LYS 27 HG2 LYS 27 2.984 -12.317 3.226
192 HG3 LYS 27 HG1 LYS 27 4.325 -11.183 3.220
193 HD2 LYS 27 HD2 LYS 27 5.133 -12.116 5.332
194 HD3 LYS 27 HD1 LYS 27 3.768 -13.241 5.358
195 HE2 LYS 27 HE2 LYS 27 4.503 -14.178 3.216
196 HE3 LYS 27 HE1 LYS 27 5.877 -13.084 3.211
197 HZ1 LYS 27 HZ1 LYS 27 6.702 -14.212 5.224
198 HZ2 LYS 27 HZ2 LYS 27 6.504 -15.271 3.924
199 HZ3 LYS 27 HZ3 LYS 27 5.381 -15.265 5.181
200 H LEU 28 HN LEU 28 1.116 -9.705 6.110
201 HA LEU 28 HA LEU 28 -0.161 -7.113 5.530
202 HB2 LEU 28 HB2 LEU 28 -1.607 -9.186 5.856
203 HB3 LEU 28 HB1 LEU 28 -1.114 -9.132 7.534
204 HG LEU 28 HG LEU 28 -2.315 -6.706 6.358
205 HD11 LEU 28 HD11 LEU 28 -3.839 -9.159 7.210
206 HD12 LEU 28 HD12 LEU 28 -3.703 -8.519 5.567
207 HD13 LEU 28 HD13 LEU 28 -4.565 -7.592 6.810
208 HD21 LEU 28 HD21 LEU 28 -2.609 -8.069 9.044
209 HD22 LEU 28 HD22 LEU 28 -3.315 -6.514 8.600
210 HD23 LEU 28 HD23 LEU 28 -1.563 -6.691 8.692
211 H ASP 29 HN ASP 29 2.110 -8.649 7.418
212 HA ASP 29 HA ASP 29 2.049 -6.800 9.672
213 HB2 ASP 29 HB2 ASP 29 2.680 -9.202 9.885
214 HB3 ASP 29 HB1 ASP 29 4.080 -8.893 8.870
215 H LYS 30 HN LYS 30 3.072 -6.777 6.620
216 HA LYS 30 HA LYS 30 5.746 -5.775 6.827
217 HB2 LYS 30 HB2 LYS 30 3.881 -5.862 4.542
218 HB3 LYS 30 HB1 LYS 30 5.566 -5.406 4.411
219 HG2 LYS 30 HG2 LYS 30 4.663 -8.061 5.516
220 HG3 LYS 30 HG1 LYS 30 5.179 -7.806 3.842
221 HD2 LYS 30 HD2 LYS 30 7.379 -7.000 4.683
222 HD3 LYS 30 HD1 LYS 30 6.815 -7.289 6.309
223 HE2 LYS 30 HE2 LYS 30 6.828 -9.609 6.079
224 HE3 LYS 30 HE1 LYS 30 6.838 -9.527 4.319
225 HZ1 LYS 30 HZ1 LYS 30 9.029 -10.116 5.471
226 HZ2 LYS 30 HZ2 LYS 30 9.112 -8.473 5.896
227 HZ3 LYS 30 HZ3 LYS 30 9.027 -8.949 4.265
228 H SER 31 HN SER 31 6.249 -3.851 7.517
229 HA SER 31 HA SER 31 4.561 -1.598 7.378
230 HB2 SER 31 HB2 SER 31 7.424 -1.776 8.147
231 HB3 SER 31 HB1 SER 31 6.113 -0.698 8.673
232 HG SER 31 HG SER 31 5.960 -2.147 10.259
233 H PHE 32 HN PHE 32 5.421 -2.494 4.694
234 HA PHE 32 HA PHE 32 6.460 -1.835 2.805
235 HB2 PHE 32 HB2 PHE 32 5.427 0.730 3.944
236 HB3 PHE 32 HB1 PHE 32 6.279 0.719 2.408
237 HD1 PHE 32 HD1 PHE 32 5.410 -0.908 0.611
238 HD2 PHE 32 HD2 PHE 32 3.262 0.254 4.061
239 HE1 PHE 32 HE1 PHE 32 3.298 -1.551 -0.510
240 HE2 PHE 32 HE2 PHE 32 1.131 -0.390 2.954
241 HZ PHE 32 HZ PHE 32 1.255 -1.425 0.581
242 H THR 33 HN THR 33 7.682 1.271 3.640
243 HA THR 33 HA THR 33 10.301 0.464 3.027
244 HB THR 33 HB THR 33 10.366 3.048 3.974
245 HG1 THR 33 HG1 THR 33 8.221 3.504 4.146
246 HG21 THR 33 HG21 THR 33 9.624 1.998 1.224
247 HG22 THR 33 HG22 THR 33 11.253 2.149 1.846
248 HG23 THR 33 HG23 THR 33 10.279 3.597 1.568
249 H ASP 34 HN ASP 34 9.446 -0.831 5.305
250 HA ASP 34 HA ASP 34 11.591 -0.120 7.111
251 HB2 ASP 34 HB2 ASP 34 9.775 0.927 8.231
252 HB3 ASP 34 HB1 ASP 34 8.705 -0.427 7.906
253 H ASP 35 HN ASP 35 8.888 -2.438 7.009
254 HA ASP 35 HA ASP 35 10.713 -4.558 7.678
255 HB2 ASP 35 HB2 ASP 35 8.174 -4.527 8.234
256 HB3 ASP 35 HB1 ASP 35 7.962 -5.089 6.569
257 H LEU 36 HN LEU 36 8.845 -3.794 4.729
258 HA LEU 36 HA LEU 36 10.073 -5.786 3.101
259 HB2 LEU 36 HB2 LEU 36 8.875 -3.131 2.237
260 HB3 LEU 36 HB1 LEU 36 9.230 -4.479 1.183
261 HG LEU 36 HG LEU 36 7.129 -4.504 3.355
262 HD11 LEU 36 HD11 LEU 36 6.864 -4.193 0.368
263 HD12 LEU 36 HD12 LEU 36 6.571 -2.934 1.571
264 HD13 LEU 36 HD13 LEU 36 5.530 -4.354 1.510
265 HD21 LEU 36 HD21 LEU 36 8.032 -6.710 2.809
266 HD22 LEU 36 HD22 LEU 36 7.700 -6.420 1.102
267 HD23 LEU 36 HD23 LEU 36 6.369 -6.528 2.255
268 H ASP 37 HN ASP 37 10.498 -2.312 3.459
269 HA ASP 37 HA ASP 37 12.232 -0.887 3.320
270 HB2 ASP 37 HB2 ASP 37 13.457 -2.486 4.785
271 HB3 ASP 37 HB1 ASP 37 14.008 -3.351 3.358
272 H VAL 38 HN VAL 38 11.648 -0.142 1.339
273 HA VAL 38 HA VAL 38 13.223 -1.328 -0.756
274 HB VAL 38 HB VAL 38 11.029 -1.960 -1.173
275 HG11 VAL 38 HG11 VAL 38 10.060 0.904 -1.024
276 HG12 VAL 38 HG12 VAL 38 9.787 -0.354 0.165
277 HG13 VAL 38 HG13 VAL 38 9.101 -0.512 -1.446
278 HG21 VAL 38 HG21 VAL 38 10.604 -0.955 -3.384
279 HG22 VAL 38 HG22 VAL 38 12.296 -1.378 -3.119
280 HG23 VAL 38 HG23 VAL 38 11.778 0.302 -2.999
281 H ASP 39 HN ASP 39 11.390 1.744 -0.925
282 HA ASP 39 HA ASP 39 13.793 3.275 -1.222
283 HB2 ASP 39 HB2 ASP 39 13.178 1.993 -3.538
284 HB3 ASP 39 HB1 ASP 39 11.928 3.252 -3.479
285 H SER 40 HN SER 40 12.924 5.384 -2.070
286 HA SER 40 HA SER 40 10.687 6.079 -0.296
287 HB2 SER 40 HB2 SER 40 12.813 7.238 0.089
288 HB3 SER 40 HB1 SER 40 12.809 7.806 -1.585
289 H LEU 41 HN LEU 41 11.907 6.304 -3.519
290 HA LEU 41 HA LEU 41 9.836 8.119 -4.370
291 HB2 LEU 41 HB2 LEU 41 11.935 6.704 -6.018
292 HB3 LEU 41 HB1 LEU 41 10.930 8.042 -6.543
293 HG LEU 41 HG LEU 41 13.076 8.139 -4.426
294 HD11 LEU 41 HD11 LEU 41 12.940 9.386 -7.153
295 HD12 LEU 41 HD12 LEU 41 13.953 8.026 -6.669
296 HD13 LEU 41 HD13 LEU 41 14.224 9.622 -5.966
297 HD21 LEU 41 HD21 LEU 41 11.244 9.621 -3.814
298 HD22 LEU 41 HD22 LEU 41 11.270 10.354 -5.420
299 HD23 LEU 41 HD23 LEU 41 12.646 10.553 -4.331
300 H SER 42 HN SER 42 10.497 4.785 -4.326
301 HA SER 42 HA SER 42 8.459 4.078 -6.195
302 HB2 SER 42 HB2 SER 42 9.926 2.398 -4.150
303 HB3 SER 42 HB1 SER 42 8.973 1.788 -5.503
304 HG SER 42 HG SER 42 10.433 3.114 -6.827
305 H MET 43 HN MET 43 8.683 4.763 -2.792
306 HA MET 43 HA MET 43 6.402 3.338 -1.917
307 HB2 MET 43 HB2 MET 43 8.220 4.125 -0.441
308 HB3 MET 43 HB1 MET 43 7.693 5.785 -0.711
309 HG2 MET 43 HG2 MET 43 6.948 4.787 1.410
310 HG3 MET 43 HG1 MET 43 5.626 5.373 0.381
311 HE1 MET 43 HE1 MET 43 7.731 2.244 -0.288
312 HE2 MET 43 HE2 MET 43 6.847 0.936 0.533
313 HE3 MET 43 HE3 MET 43 7.662 2.177 1.474
314 H VAL 44 HN VAL 44 6.971 6.601 -3.058
315 HA VAL 44 HA VAL 44 4.424 7.628 -2.546
316 HB VAL 44 HB VAL 44 6.446 8.543 -4.614
317 HG11 VAL 44 HG11 VAL 44 5.404 10.736 -4.346
318 HG12 VAL 44 HG12 VAL 44 4.230 10.042 -3.232
319 HG13 VAL 44 HG13 VAL 44 4.249 9.536 -4.921
320 HG21 VAL 44 HG21 VAL 44 6.176 9.347 -1.714
321 HG22 VAL 44 HG22 VAL 44 7.277 10.080 -2.884
322 HG23 VAL 44 HG23 VAL 44 7.483 8.398 -2.412
323 H GLU 45 HN GLU 45 5.885 5.936 -5.331
324 HA GLU 45 HA GLU 45 3.775 6.349 -7.128
325 HB2 GLU 45 HB2 GLU 45 5.886 4.236 -6.897
326 HB3 GLU 45 HB1 GLU 45 4.776 4.355 -8.257
327 HG2 GLU 45 HG2 GLU 45 6.666 6.495 -7.385
328 HG3 GLU 45 HG1 GLU 45 7.011 5.316 -8.655
329 H VAL 46 HN VAL 46 4.438 3.929 -4.653
330 HA VAL 46 HA VAL 46 2.350 2.173 -5.290
331 HB VAL 46 HB VAL 46 3.496 2.775 -2.523
332 HG11 VAL 46 HG11 VAL 46 1.323 1.660 -2.354
333 HG12 VAL 46 HG12 VAL 46 2.621 0.569 -1.872
334 HG13 VAL 46 HG13 VAL 46 1.874 0.401 -3.460
335 HG21 VAL 46 HG21 VAL 46 4.180 0.602 -4.503
336 HG22 VAL 46 HG22 VAL 46 4.837 0.745 -2.873
337 HG23 VAL 46 HG23 VAL 46 5.191 1.983 -4.081
338 H VAL 47 HN VAL 47 2.448 4.985 -3.174
339 HA VAL 47 HA VAL 47 -0.199 5.135 -2.294
340 HB VAL 47 HB VAL 47 1.574 7.444 -3.158
341 HG11 VAL 47 HG11 VAL 47 0.312 8.781 -1.543
342 HG12 VAL 47 HG12 VAL 47 -0.729 7.397 -1.214
343 HG13 VAL 47 HG13 VAL 47 -0.730 8.139 -2.813
344 HG21 VAL 47 HG21 VAL 47 2.737 6.013 -1.586
345 HG22 VAL 47 HG22 VAL 47 1.367 6.083 -0.476
346 HG23 VAL 47 HG23 VAL 47 2.302 7.539 -0.818
347 H VAL 48 HN VAL 48 1.183 6.965 -4.991
348 HA VAL 48 HA VAL 48 -0.951 7.877 -6.434
349 HB VAL 48 HB VAL 48 1.435 6.474 -7.696
350 HG11 VAL 48 HG11 VAL 48 -0.439 8.526 -8.877
351 HG12 VAL 48 HG12 VAL 48 -0.345 6.823 -9.320
352 HG13 VAL 48 HG13 VAL 48 1.017 7.895 -9.650
353 HG21 VAL 48 HG21 VAL 48 2.420 8.705 -7.858
354 HG22 VAL 48 HG22 VAL 48 2.129 8.233 -6.184
355 HG23 VAL 48 HG23 VAL 48 1.041 9.371 -6.980
356 H ALA 49 HN ALA 49 0.471 4.659 -7.070
357 HA ALA 49 HA ALA 49 -1.501 3.833 -8.870
358 HB1 ALA 49 HB1 ALA 49 0.317 2.090 -7.228
359 HB2 ALA 49 HB2 ALA 49 0.734 2.844 -8.767
360 HB3 ALA 49 HB3 ALA 49 -0.539 1.626 -8.699
361 H ALA 50 HN ALA 50 -1.266 3.334 -5.358
362 HA ALA 50 HA ALA 50 -3.330 1.468 -5.100
363 HB1 ALA 50 HB1 ALA 50 -3.437 2.125 -2.758
364 HB2 ALA 50 HB2 ALA 50 -2.524 3.592 -3.116
365 HB3 ALA 50 HB3 ALA 50 -1.757 2.015 -3.292
366 H GLU 51 HN GLU 51 -3.437 4.998 -5.257
367 HA GLU 51 HA GLU 51 -6.112 5.388 -4.610
368 HB2 GLU 51 HB2 GLU 51 -4.433 6.908 -6.594
369 HB3 GLU 51 HB1 GLU 51 -5.942 7.451 -5.884
370 HG2 GLU 51 HG2 GLU 51 -4.727 7.242 -3.642
371 HG3 GLU 51 HG1 GLU 51 -3.267 7.137 -4.599
372 H GLU 52 HN GLU 52 -4.539 4.616 -7.616
373 HA GLU 52 HA GLU 52 -6.907 4.857 -9.226
374 HB2 GLU 52 HB2 GLU 52 -4.713 5.485 -10.050
375 HB3 GLU 52 HB1 GLU 52 -4.126 3.855 -9.796
376 HG2 GLU 52 HG2 GLU 52 -5.640 3.042 -11.520
377 HG3 GLU 52 HG1 GLU 52 -6.235 4.687 -11.769
378 H ARG 53 HN ARG 53 -4.987 2.246 -7.836
379 HA ARG 53 HA ARG 53 -6.153 0.111 -9.343
380 HB2 ARG 53 HB2 ARG 53 -3.888 0.003 -8.430
381 HB3 ARG 53 HB1 ARG 53 -4.521 0.133 -6.804
382 HG2 ARG 53 HG2 ARG 53 -3.887 -2.142 -7.275
383 HG3 ARG 53 HG1 ARG 53 -5.638 -2.038 -7.085
384 HD2 ARG 53 HD2 ARG 53 -5.886 -2.046 -9.536
385 HD3 ARG 53 HD1 ARG 53 -4.117 -2.127 -9.669
386 HE ARG 53 HE ARG 53 -4.122 -4.292 -9.019
387 HH11 ARG 53 HH11 ARG 53 -7.483 -3.129 -9.227
388 HH12 ARG 53 HH12 ARG 53 -8.135 -4.636 -8.742
389 HH21 ARG 53 HH21 ARG 53 -5.037 -6.300 -8.461
390 HH22 ARG 53 HH22 ARG 53 -6.739 -6.524 -8.406
391 H PHE 54 HN PHE 54 -6.704 1.535 -6.209
392 HA PHE 54 HA PHE 54 -8.775 -0.459 -5.735
393 HB2 PHE 54 HB2 PHE 54 -7.580 1.603 -3.903
394 HB3 PHE 54 HB1 PHE 54 -8.810 0.432 -3.454
395 HD1 PHE 54 HD1 PHE 54 -7.817 -1.990 -4.792
396 HD2 PHE 54 HD2 PHE 54 -5.723 1.029 -2.654
397 HE1 PHE 54 HE1 PHE 54 -6.067 -3.604 -4.228
398 HE2 PHE 54 HE2 PHE 54 -3.976 -0.608 -2.063
399 HZ PHE 54 HZ PHE 54 -4.142 -2.904 -2.874
400 H ASP 55 HN ASP 55 -8.367 2.718 -6.798
401 HA ASP 55 HA ASP 55 -9.704 4.430 -7.372
402 HB2 ASP 55 HB2 ASP 55 -11.044 2.492 -8.397
403 HB3 ASP 55 HB1 ASP 55 -12.032 2.546 -6.962
404 H VAL 56 HN VAL 56 -9.248 3.526 -4.530
405 HA VAL 56 HA VAL 56 -11.486 4.712 -3.105
406 HB VAL 56 HB VAL 56 -10.366 4.085 -1.031
407 HG11 VAL 56 HG11 VAL 56 -10.352 1.848 -3.038
408 HG12 VAL 56 HG12 VAL 56 -11.754 2.452 -2.149
409 HG13 VAL 56 HG13 VAL 56 -10.416 1.679 -1.278
410 HG21 VAL 56 HG21 VAL 56 -8.052 4.429 -1.681
411 HG22 VAL 56 HG22 VAL 56 -8.142 3.056 -2.787
412 HG23 VAL 56 HG23 VAL 56 -8.277 2.797 -1.047
413 H LYS 57 HN LYS 57 -8.654 5.691 -4.416
414 HA LYS 57 HA LYS 57 -7.250 7.441 -4.284
415 HB2 LYS 57 HB2 LYS 57 -9.657 8.924 -3.216
416 HB3 LYS 57 HB1 LYS 57 -8.237 9.639 -3.958
417 HG2 LYS 57 HG2 LYS 57 -10.309 7.911 -5.302
418 HG3 LYS 57 HG1 LYS 57 -10.067 9.640 -5.515
419 HD2 LYS 57 HD2 LYS 57 -8.116 7.464 -6.293
420 HD3 LYS 57 HD1 LYS 57 -9.161 8.345 -7.397
421 HE2 LYS 57 HE2 LYS 57 -6.879 9.453 -5.758
422 HE3 LYS 57 HE1 LYS 57 -6.923 9.244 -7.502
423 HZ1 LYS 57 HZ1 LYS 57 -8.401 11.198 -5.854
424 HZ2 LYS 57 HZ2 LYS 57 -8.870 10.858 -7.434
425 HZ3 LYS 57 HZ3 LYS 57 -7.305 11.476 -7.114
426 H ILE 58 HN ILE 58 -5.848 6.672 -2.766
427 HA ILE 58 HA ILE 58 -6.111 7.546 0.020
428 HB ILE 58 HB ILE 58 -3.829 6.012 -1.236
429 HG12 ILE 58 HG12 ILE 58 -6.248 4.811 0.102
430 HG13 ILE 58 HG11 ILE 58 -5.979 4.828 -1.635
431 HG21 ILE 58 HG21 ILE 58 -3.398 6.989 0.960
432 HG22 ILE 58 HG22 ILE 58 -3.466 5.229 1.067
433 HG23 ILE 58 HG23 ILE 58 -4.836 6.192 1.608
434 HD11 ILE 58 HD11 ILE 58 -5.364 2.695 -0.667
435 HD12 ILE 58 HD12 ILE 58 -4.211 3.501 0.397
436 HD13 ILE 58 HD13 ILE 58 -3.963 3.517 -1.351
437 HA PRO 59 HA PRO 59 -3.550 10.799 -1.887
438 HB2 PRO 59 HB2 PRO 59 -4.009 12.722 -0.030
439 HB3 PRO 59 HB1 PRO 59 -5.145 12.372 -1.337
440 HG2 PRO 59 HG2 PRO 59 -5.231 11.547 1.525
441 HG3 PRO 59 HG1 PRO 59 -6.551 12.063 0.461
442 HD2 PRO 59 HD2 PRO 59 -6.003 9.452 1.073
443 HD3 PRO 59 HD1 PRO 59 -6.815 9.968 -0.419
444 H ASP 60 HN ASP 60 -1.482 11.402 -1.479
445 HA ASP 60 HA ASP 60 0.312 10.210 0.111
446 HB2 ASP 60 HB2 ASP 60 0.369 13.148 -0.594
447 HB3 ASP 60 HB1 ASP 60 1.747 12.182 -0.088
448 H ASP 61 HN ASP 61 -1.710 12.853 1.053
449 HA ASP 61 HA ASP 61 -0.504 13.531 3.506
450 HB2 ASP 61 HB2 ASP 61 -2.246 14.910 2.406
451 HB3 ASP 61 HB1 ASP 61 -3.449 13.706 2.847
452 H ASP 62 HN ASP 62 -3.318 11.436 2.915
453 HA ASP 62 HA ASP 62 -3.442 10.598 5.688
454 HB2 ASP 62 HB2 ASP 62 -4.877 9.451 3.300
455 HB3 ASP 62 HB1 ASP 62 -5.156 8.974 4.964
456 H VAL 63 HN VAL 63 -1.997 9.435 2.831
457 HA VAL 63 HA VAL 63 -1.735 6.757 3.587
458 HB VAL 63 HB VAL 63 -1.228 7.963 1.308
459 HG11 VAL 63 HG11 VAL 63 1.531 7.868 2.466
460 HG12 VAL 63 HG12 VAL 63 0.627 9.301 1.980
461 HG13 VAL 63 HG13 VAL 63 1.138 8.127 0.766
462 HG21 VAL 63 HG21 VAL 63 0.290 5.555 2.218
463 HG22 VAL 63 HG22 VAL 63 0.027 6.053 0.538
464 HG23 VAL 63 HG23 VAL 63 -1.349 5.609 1.553
465 H LYS 64 HN LYS 64 -0.125 9.553 4.685
466 HA LYS 64 HA LYS 64 2.242 8.357 5.610
467 HB2 LYS 64 HB2 LYS 64 0.941 10.945 6.441
468 HB3 LYS 64 HB1 LYS 64 2.579 10.459 6.867
469 HG2 LYS 64 HG2 LYS 64 3.125 10.365 4.457
470 HG3 LYS 64 HG1 LYS 64 1.501 10.957 4.114
471 HD2 LYS 64 HD2 LYS 64 3.593 12.428 5.730
472 HD3 LYS 64 HD1 LYS 64 3.203 12.743 4.039
473 HE2 LYS 64 HE2 LYS 64 0.882 13.253 4.734
474 HE3 LYS 64 HE1 LYS 64 1.379 13.053 6.411
475 HZ1 LYS 64 HZ1 LYS 64 1.367 15.364 5.749
476 HZ2 LYS 64 HZ2 LYS 64 2.469 15.062 4.515
477 HZ3 LYS 64 HZ3 LYS 64 2.942 14.877 6.134
478 H ASN 65 HN ASN 65 -0.858 8.043 6.679
479 HA ASN 65 HA ASN 65 -0.161 7.717 9.524
480 HB2 ASN 65 HB2 ASN 65 -2.858 7.740 8.158
481 HB3 ASN 65 HB1 ASN 65 -2.585 7.622 9.888
482 HD21 ASN 65 HD21 ASN 65 -2.533 9.649 7.128
483 HD22 ASN 65 HD22 ASN 65 -2.439 11.171 7.937
484 H LEU 66 HN LEU 66 -0.138 5.964 6.805
485 HA LEU 66 HA LEU 66 -1.593 3.675 7.841
486 HB2 LEU 66 HB2 LEU 66 -0.150 3.983 5.209
487 HB3 LEU 66 HB1 LEU 66 -1.196 2.652 5.661
488 HG LEU 66 HG LEU 66 -2.026 5.517 5.223
489 HD11 LEU 66 HD11 LEU 66 -2.655 3.011 3.691
490 HD12 LEU 66 HD12 LEU 66 -1.593 4.319 3.172
491 HD13 LEU 66 HD13 LEU 66 -3.320 4.613 3.370
492 HD21 LEU 66 HD21 LEU 66 -3.312 4.541 7.042
493 HD22 LEU 66 HD22 LEU 66 -3.694 3.143 6.036
494 HD23 LEU 66 HD23 LEU 66 -4.312 4.735 5.602
495 H LYS 67 HN LYS 67 1.596 4.139 6.408
496 HA LYS 67 HA LYS 67 3.421 3.098 6.505
497 HB2 LYS 67 HB2 LYS 67 4.599 2.920 8.755
498 HB3 LYS 67 HB1 LYS 67 4.055 4.485 8.218
499 HG2 LYS 67 HG2 LYS 67 3.406 4.666 10.372
500 HG3 LYS 67 HG1 LYS 67 1.988 3.781 9.825
501 HD2 LYS 67 HD2 LYS 67 4.430 2.350 10.859
502 HD3 LYS 67 HD1 LYS 67 3.228 2.999 11.967
503 HE2 LYS 67 HE2 LYS 67 2.567 1.151 9.723
504 HE3 LYS 67 HE1 LYS 67 2.999 0.562 11.349
505 HZ1 LYS 67 HZ1 LYS 67 1.122 1.805 12.210
506 HZ2 LYS 67 HZ2 LYS 67 0.563 0.729 11.039
507 HZ3 LYS 67 HZ3 LYS 67 0.722 2.368 10.685
508 H THR 68 HN THR 68 1.037 1.021 7.164
509 HA THR 68 HA THR 68 2.972 -1.068 6.477
510 HB THR 68 HB THR 68 1.507 -2.776 7.512
511 HG1 THR 68 HG1 THR 68 0.302 -1.017 9.299
512 HG21 THR 68 HG21 THR 68 2.215 -2.476 9.876
513 HG22 THR 68 HG22 THR 68 2.821 -0.863 9.444
514 HG23 THR 68 HG23 THR 68 3.494 -2.304 8.686
515 H VAL 69 HN VAL 69 1.840 -2.914 5.531
516 HA VAL 69 HA VAL 69 0.044 -2.231 3.466
517 HB VAL 69 HB VAL 69 -0.185 -4.852 3.405
518 HG11 VAL 69 HG11 VAL 69 2.528 -3.535 3.068
519 HG12 VAL 69 HG12 VAL 69 1.247 -3.537 1.855
520 HG13 VAL 69 HG13 VAL 69 2.019 -5.053 2.326
521 HG21 VAL 69 HG21 VAL 69 2.122 -4.483 5.275
522 HG22 VAL 69 HG22 VAL 69 1.635 -5.996 4.514
523 HG23 VAL 69 HG23 VAL 69 0.562 -5.198 5.667
524 H GLY 70 HN GLY 70 -0.333 -3.954 6.557
525 HA2 GLY 70 HA2 GLY 70 -3.055 -4.550 6.331
526 HA3 GLY 70 HA1 GLY 70 -2.149 -4.467 7.836
527 H ASP 71 HN ASP 71 -1.438 -1.755 7.832
528 HA ASP 71 HA ASP 71 -3.918 -0.615 8.651
529 HB2 ASP 71 HB2 ASP 71 -1.206 0.710 8.366
530 HB3 ASP 71 HB1 ASP 71 -2.631 1.519 9.004
531 H ALA 72 HN ALA 72 -1.953 -0.356 5.769
532 HA ALA 72 HA ALA 72 -3.364 1.714 4.518
533 HB1 ALA 72 HB1 ALA 72 -1.274 0.801 3.590
534 HB2 ALA 72 HB2 ALA 72 -2.571 0.748 2.395
535 HB3 ALA 72 HB3 ALA 72 -2.091 -0.723 3.242
536 H THR 73 HN THR 73 -3.753 -1.803 4.078
537 HA THR 73 HA THR 73 -6.111 -2.039 2.856
538 HB THR 73 HB THR 73 -5.129 -3.633 5.218
539 HG1 THR 73 HG1 THR 73 -3.568 -3.751 3.694
540 HG21 THR 73 HG21 THR 73 -6.991 -4.410 2.971
541 HG22 THR 73 HG22 THR 73 -7.502 -4.074 4.609
542 HG23 THR 73 HG23 THR 73 -6.459 -5.470 4.282
543 H LYS 74 HN LYS 74 -5.762 -1.435 6.379
544 HA LYS 74 HA LYS 74 -8.477 -1.581 7.031
545 HB2 LYS 74 HB2 LYS 74 -6.819 -1.587 8.782
546 HB3 LYS 74 HB1 LYS 74 -6.218 -0.013 8.291
547 HG2 LYS 74 HG2 LYS 74 -7.530 0.124 10.334
548 HG3 LYS 74 HG1 LYS 74 -8.284 1.031 9.024
549 HD2 LYS 74 HD2 LYS 74 -9.809 -0.886 8.640
550 HD3 LYS 74 HD1 LYS 74 -9.090 -1.698 10.037
551 HE2 LYS 74 HE2 LYS 74 -10.430 1.003 10.117
552 HE3 LYS 74 HE1 LYS 74 -11.206 -0.514 10.560
553 HZ1 LYS 74 HZ1 LYS 74 -8.689 0.246 11.907
554 HZ2 LYS 74 HZ2 LYS 74 -9.989 -0.672 12.477
555 HZ3 LYS 74 HZ3 LYS 74 -10.129 1.014 12.312
556 H TYR 75 HN TYR 75 -6.545 1.106 5.873
557 HA TYR 75 HA TYR 75 -8.613 3.075 6.069
558 HB2 TYR 75 HB2 TYR 75 -6.276 3.744 6.126
559 HB3 TYR 75 HB1 TYR 75 -5.984 2.990 4.569
560 HD1 TYR 75 HD2 TYR 75 -6.711 4.108 2.497
561 HD2 TYR 75 HD1 TYR 75 -7.349 5.903 6.301
562 HE1 TYR 75 HE2 TYR 75 -7.184 6.269 1.406
563 HE2 TYR 75 HE1 TYR 75 -7.817 8.043 5.233
564 HH TYR 75 HH TYR 75 -8.371 8.396 1.894
565 H ILE 76 HN ILE 76 -7.273 1.026 3.558
566 HA ILE 76 HA ILE 76 -8.801 2.059 1.416
567 HB ILE 76 HB ILE 76 -7.485 -0.660 1.728
568 HG12 ILE 76 HG12 ILE 76 -6.454 1.821 0.361
569 HG13 ILE 76 HG11 ILE 76 -6.036 1.379 2.009
570 HG21 ILE 76 HG21 ILE 76 -8.355 0.849 -0.754
571 HG22 ILE 76 HG22 ILE 76 -9.170 -0.559 -0.085
572 HG23 ILE 76 HG23 ILE 76 -7.534 -0.713 -0.729
573 HD11 ILE 76 HD11 ILE 76 -5.012 -0.669 1.198
574 HD12 ILE 76 HD12 ILE 76 -4.295 0.759 0.445
575 HD13 ILE 76 HD13 ILE 76 -5.445 -0.235 -0.455
576 H LEU 77 HN LEU 77 -9.276 -0.674 3.599
577 HA LEU 77 HA LEU 77 -11.686 -1.562 2.403
578 HB2 LEU 77 HB2 LEU 77 -10.388 -2.900 4.049
579 HB3 LEU 77 HB1 LEU 77 -10.903 -1.798 5.313
580 HG LEU 77 HG LEU 77 -13.258 -2.379 4.546
581 HD11 LEU 77 HD11 LEU 77 -13.598 -4.612 3.656
582 HD12 LEU 77 HD12 LEU 77 -11.861 -4.722 3.365
583 HD13 LEU 77 HD13 LEU 77 -12.818 -3.497 2.532
584 HD21 LEU 77 HD21 LEU 77 -12.430 -2.986 6.725
585 HD22 LEU 77 HD22 LEU 77 -11.611 -4.394 6.052
586 HD23 LEU 77 HD23 LEU 77 -13.373 -4.318 6.058
587 H ASP 78 HN ASP 78 -10.985 1.020 4.515
588 HA ASP 78 HA ASP 78 -13.793 1.442 5.272
589 HB2 ASP 78 HB2 ASP 78 -12.027 1.913 6.946
590 HB3 ASP 78 HB1 ASP 78 -11.356 3.139 5.886
591 H HIS 79 HN HIS 79 -11.406 2.752 3.167
592 HA HIS 79 HA HIS 79 -13.032 5.017 2.324
593 HB2 HIS 79 HB2 HIS 79 -10.318 4.531 2.597
594 HB3 HIS 79 HB1 HIS 79 -10.567 4.514 0.860
595 HD1 HIS 79 HD1 HIS 79 -10.534 6.789 -0.245
596 HD2 HIS 79 HD2 HIS 79 -11.225 6.995 3.848
597 HE1 HIS 79 HE1 HIS 79 -10.447 9.196 0.309
598 HE2 HIS 79 HE2 HIS 79 -10.399 9.240 2.766
599 H GLN 80 HN GLN 80 -12.984 1.810 1.551
600 HA GLN 80 HA GLN 80 -12.748 1.217 -0.995
601 HB2 GLN 80 HB2 GLN 80 -14.874 0.523 0.906
602 HB3 GLN 80 HB1 GLN 80 -14.948 -0.115 -0.733
603 HG2 GLN 80 HG2 GLN 80 -12.821 -0.501 1.358
604 HG3 GLN 80 HG1 GLN 80 -13.948 -1.709 0.749
605 HE21 GLN 80 HE21 GLN 80 -11.101 -1.704 0.815
606 HE22 GLN 80 HE22 GLN 80 -10.558 -1.908 -0.809
607 H ALA 81 HN ALA 81 -13.491 1.648 -2.932
608 HA ALA 81 HA ALA 81 -15.912 3.251 -3.163
609 HB1 ALA 81 HB1 ALA 81 -13.906 4.267 -4.141
610 HB2 ALA 81 HB2 ALA 81 -15.040 3.794 -5.407
611 HB3 ALA 81 HB3 ALA 81 -13.615 2.802 -5.083
612 H2 SHW 101 H2A SHW 101 2.786 6.326 3.992
613 H2A SHW 101 H2B SHW 101 3.685 5.856 2.534
614 H3 SHW 101 H3A SHW 101 3.771 4.491 5.263
615 HO3 SHW 101 HO3 SHW 101 4.821 3.495 2.803
616 H4 SHW 101 H4A SHW 101 1.620 4.160 4.163
617 H4A SHW 101 H4B SHW 101 2.545 2.668 4.165
618 H5 SHW 101 H5A SHW 101 3.148 2.995 1.841
619 H5A SHW 101 H5B SHW 101 2.286 4.535 1.821
620 H6 SHW 101 H6A SHW 101 0.194 3.355 2.344
621 H6A SHW 101 H6B SHW 101 1.063 1.818 2.301
622 H7 SHW 101 H7A SHW 101 1.607 2.156 -0.045
623 H7A SHW 101 H7B SHW 101 0.825 3.746 -0.013
624 H8 SHW 101 H8C SHW 101 -0.506 1.087 0.503
625 H8A SHW 101 H8A SHW 101 -0.642 2.041 -0.975
626 H8B SHW 101 H8B SHW 101 -1.300 2.663 0.539
627 H28 SHW 101 H28A SHW 101 12.130 10.005 2.622
628 H28A SHW 101 H28B SHW 101 12.215 8.378 1.973
629 H30 SHW 101 H30A SHW 101 15.326 8.676 1.475
630 H30A SHW 101 H30B SHW 101 14.502 7.202 1.983
631 H30B SHW 101 H30C SHW 101 15.798 7.873 2.973
632 H31 SHW 101 H31A SHW 101 15.441 10.002 4.226
633 H31A SHW 101 H31B SHW 101 13.887 10.835 4.116
634 H31B SHW 101 H31C SHW 101 14.970 10.799 2.723
635 H32 SHW 101 H32A SHW 101 14.224 7.817 4.986
636 HO33 SHW 101 H33A SHW 101 11.833 9.289 4.713
637 HN36 SHW 101 H36A SHW 101 12.100 7.004 5.855
638 H37 SHW 101 H37A SHW 101 10.461 5.276 4.163
639 H37A SHW 101 H37B SHW 101 11.714 4.401 5.016
640 H38 SHW 101 H38A SHW 101 9.720 4.200 6.255
641 H38A SHW 101 H38B SHW 101 10.813 5.246 7.177
642 HN41 SHW 101 H41A SHW 101 9.194 6.588 4.388
643 H42 SHW 101 H42A SHW 101 6.849 7.542 5.756
644 H42A SHW 101 H42B SHW 101 8.085 8.753 5.460
645 H43 SHW 101 H43A SHW 101 8.047 8.166 3.043
646 H43A SHW 101 H43B SHW 101 6.544 8.838 3.671
Start of MODEL 12
1 H1 ALA 1 HT1 ALA 1 -16.984 -1.228 2.204
2 H2 ALA 1 HT2 ALA 1 -17.757 -2.583 1.583
3 H3 ALA 1 HT3 ALA 1 -16.770 -1.666 0.571
4 HA ALA 1 HA ALA 1 -14.879 -2.257 2.020
5 HB1 ALA 1 HB1 ALA 1 -16.907 -4.156 3.203
6 HB2 ALA 1 HB2 ALA 1 -16.184 -2.771 4.021
7 HB3 ALA 1 HB3 ALA 1 -15.177 -4.142 3.552
8 H ALA 2 HN ALA 2 -13.676 -4.303 1.524
9 HA ALA 2 HA ALA 2 -14.822 -5.810 -0.665
10 HB1 ALA 2 HB1 ALA 2 -12.128 -4.403 -0.625
11 HB2 ALA 2 HB2 ALA 2 -13.483 -4.002 -1.671
12 HB3 ALA 2 HB3 ALA 2 -12.652 -5.542 -1.860
13 H THR 3 HN THR 3 -12.483 -7.319 -1.045
14 HA THR 3 HA THR 3 -12.427 -8.743 1.483
15 HB THR 3 HB THR 3 -11.239 -9.471 -1.205
16 HG1 THR 3 HG1 THR 3 -13.215 -9.731 -1.807
17 HG21 THR 3 HG21 THR 3 -11.398 -11.753 -0.298
18 HG22 THR 3 HG22 THR 3 -12.059 -11.069 1.203
19 HG23 THR 3 HG23 THR 3 -10.403 -10.703 0.726
20 H GLN 4 HN GLN 4 -10.755 -8.279 2.840
21 HA GLN 4 HA GLN 4 -8.712 -6.474 2.405
22 HB2 GLN 4 HB2 GLN 4 -8.720 -8.792 4.337
23 HB3 GLN 4 HB1 GLN 4 -7.541 -7.486 4.352
24 HG2 GLN 4 HG2 GLN 4 -9.338 -5.880 4.732
25 HG3 GLN 4 HG1 GLN 4 -10.507 -7.194 4.729
26 HE21 GLN 4 HE21 GLN 4 -7.329 -7.495 6.226
27 HE22 GLN 4 HE22 GLN 4 -7.941 -7.483 7.842
28 H GLU 5 HN GLU 5 -8.642 -9.888 1.822
29 HA GLU 5 HA GLU 5 -5.857 -10.176 1.283
30 HB2 GLU 5 HB2 GLU 5 -8.158 -11.792 0.190
31 HB3 GLU 5 HB1 GLU 5 -6.464 -12.238 0.080
32 HG2 GLU 5 HG2 GLU 5 -6.360 -12.352 2.527
33 HG3 GLU 5 HG1 GLU 5 -8.080 -11.962 2.597
34 H GLU 6 HN GLU 6 -8.546 -9.180 -0.674
35 HA GLU 6 HA GLU 6 -7.192 -9.296 -3.180
36 HB2 GLU 6 HB2 GLU 6 -9.653 -9.392 -3.038
37 HB3 GLU 6 HB1 GLU 6 -9.682 -7.786 -2.335
38 HG2 GLU 6 HG2 GLU 6 -8.693 -6.913 -4.438
39 HG3 GLU 6 HG1 GLU 6 -8.842 -8.528 -5.120
40 H ILE 7 HN ILE 7 -7.818 -6.913 -0.722
41 HA ILE 7 HA ILE 7 -6.868 -4.615 -2.001
42 HB ILE 7 HB ILE 7 -6.694 -5.314 0.920
43 HG12 ILE 7 HG12 ILE 7 -9.091 -4.353 -0.684
44 HG13 ILE 7 HG11 ILE 7 -8.904 -5.802 0.241
45 HG21 ILE 7 HG21 ILE 7 -5.524 -3.254 0.281
46 HG22 ILE 7 HG22 ILE 7 -6.957 -2.861 1.230
47 HG23 ILE 7 HG23 ILE 7 -6.978 -2.662 -0.523
48 HD11 ILE 7 HD11 ILE 7 -8.972 -3.065 1.459
49 HD12 ILE 7 HD12 ILE 7 -8.874 -4.603 2.314
50 HD13 ILE 7 HD13 ILE 7 -10.322 -4.201 1.388
51 H VAL 8 HN VAL 8 -5.327 -6.676 0.422
52 HA VAL 8 HA VAL 8 -2.759 -5.697 0.256
53 HB VAL 8 HB VAL 8 -3.807 -8.436 1.005
54 HG11 VAL 8 HG11 VAL 8 -1.636 -8.857 2.045
55 HG12 VAL 8 HG12 VAL 8 -1.012 -7.349 1.356
56 HG13 VAL 8 HG13 VAL 8 -1.500 -8.679 0.297
57 HG21 VAL 8 HG21 VAL 8 -3.387 -7.618 3.279
58 HG22 VAL 8 HG22 VAL 8 -4.482 -6.540 2.400
59 HG23 VAL 8 HG23 VAL 8 -2.800 -6.098 2.609
60 H ALA 9 HN ALA 9 -4.315 -8.179 -1.746
61 HA ALA 9 HA ALA 9 -2.000 -8.960 -3.168
62 HB1 ALA 9 HB1 ALA 9 -4.026 -10.334 -3.134
63 HB2 ALA 9 HB2 ALA 9 -3.527 -9.972 -4.788
64 HB3 ALA 9 HB3 ALA 9 -4.876 -9.097 -4.061
65 H GLY 10 HN GLY 10 -4.522 -6.563 -3.828
66 HA2 GLY 10 HA2 GLY 10 -3.571 -5.659 -6.314
67 HA3 GLY 10 HA1 GLY 10 -4.556 -4.722 -5.191
68 H LEU 11 HN LEU 11 -2.882 -4.645 -2.995
69 HA LEU 11 HA LEU 11 -1.110 -2.578 -3.530
70 HB2 LEU 11 HB2 LEU 11 -1.397 -4.522 -1.273
71 HB3 LEU 11 HB1 LEU 11 -0.219 -3.244 -1.231
72 HG LEU 11 HG LEU 11 -3.208 -2.851 -1.422
73 HD11 LEU 11 HD11 LEU 11 -1.304 -2.507 0.893
74 HD12 LEU 11 HD12 LEU 11 -2.522 -3.772 0.730
75 HD13 LEU 11 HD13 LEU 11 -3.016 -2.086 0.893
76 HD21 LEU 11 HD21 LEU 11 -2.686 -0.506 -0.971
77 HD22 LEU 11 HD22 LEU 11 -1.928 -1.046 -2.469
78 HD23 LEU 11 HD23 LEU 11 -0.961 -0.876 -1.005
79 H ALA 12 HN ALA 12 -0.604 -6.032 -3.018
80 HA ALA 12 HA ALA 12 2.145 -6.149 -3.131
81 HB1 ALA 12 HB1 ALA 12 1.861 -8.493 -3.647
82 HB2 ALA 12 HB2 ALA 12 0.178 -8.204 -4.091
83 HB3 ALA 12 HB3 ALA 12 0.702 -7.978 -2.422
84 H GLU 13 HN GLU 13 -0.184 -6.337 -5.759
85 HA GLU 13 HA GLU 13 1.494 -6.768 -7.994
86 HB2 GLU 13 HB2 GLU 13 -0.844 -4.857 -7.847
87 HB3 GLU 13 HB1 GLU 13 -0.124 -5.471 -9.322
88 HG2 GLU 13 HG2 GLU 13 -1.336 -7.191 -7.248
89 HG3 GLU 13 HG1 GLU 13 -2.278 -6.476 -8.565
90 H ILE 14 HN ILE 14 0.524 -3.830 -6.511
91 HA ILE 14 HA ILE 14 1.874 -2.115 -8.138
92 HB ILE 14 HB ILE 14 0.836 -1.823 -5.326
93 HG12 ILE 14 HG12 ILE 14 -0.284 -0.854 -7.956
94 HG13 ILE 14 HG11 ILE 14 -0.726 -2.379 -7.203
95 HG21 ILE 14 HG21 ILE 14 0.923 0.599 -5.668
96 HG22 ILE 14 HG22 ILE 14 1.761 0.331 -7.205
97 HG23 ILE 14 HG23 ILE 14 2.534 -0.136 -5.689
98 HD11 ILE 14 HD11 ILE 14 -1.584 -1.190 -5.289
99 HD12 ILE 14 HD12 ILE 14 -2.368 -0.677 -6.786
100 HD13 ILE 14 HD13 ILE 14 -1.142 0.352 -6.033
101 H VAL 15 HN VAL 15 2.627 -3.334 -4.896
102 HA VAL 15 HA VAL 15 5.093 -2.091 -4.454
103 HB VAL 15 HB VAL 15 4.154 -4.788 -3.441
104 HG11 VAL 15 HG11 VAL 15 5.785 -4.475 -1.620
105 HG12 VAL 15 HG12 VAL 15 6.362 -3.002 -2.396
106 HG13 VAL 15 HG13 VAL 15 6.577 -4.561 -3.195
107 HG21 VAL 15 HG21 VAL 15 3.539 -3.560 -1.415
108 HG22 VAL 15 HG22 VAL 15 2.658 -2.983 -2.829
109 HG23 VAL 15 HG23 VAL 15 4.016 -2.053 -2.192
110 H ASN 16 HN ASN 16 4.373 -5.242 -5.907
111 HA ASN 16 HA ASN 16 7.064 -5.997 -6.227
112 HB2 ASN 16 HB2 ASN 16 4.998 -7.453 -6.312
113 HB3 ASN 16 HB1 ASN 16 4.795 -6.885 -7.957
114 HD21 ASN 16 HD21 ASN 16 7.061 -8.458 -5.859
115 HD22 ASN 16 HD22 ASN 16 7.892 -9.388 -7.039
116 H GLU 17 HN GLU 17 4.884 -4.187 -8.215
117 HA GLU 17 HA GLU 17 6.471 -4.096 -10.546
118 HB2 GLU 17 HB2 GLU 17 4.096 -3.554 -10.512
119 HB3 GLU 17 HB1 GLU 17 4.420 -2.163 -9.486
120 HG2 GLU 17 HG2 GLU 17 5.906 -1.326 -11.338
121 HG3 GLU 17 HG1 GLU 17 5.186 -2.593 -12.335
122 H ILE 18 HN ILE 18 5.948 -1.729 -7.949
123 HA ILE 18 HA ILE 18 7.900 0.087 -9.081
124 HB ILE 18 HB ILE 18 6.291 0.329 -6.520
125 HG12 ILE 18 HG12 ILE 18 5.720 1.582 -9.177
126 HG13 ILE 18 HG11 ILE 18 4.972 0.043 -8.703
127 HG21 ILE 18 HG21 ILE 18 8.234 1.823 -6.655
128 HG22 ILE 18 HG22 ILE 18 6.723 2.726 -6.798
129 HG23 ILE 18 HG23 ILE 18 7.692 2.386 -8.234
130 HD11 ILE 18 HD11 ILE 18 4.705 2.732 -7.383
131 HD12 ILE 18 HD12 ILE 18 3.957 1.241 -6.807
132 HD13 ILE 18 HD13 ILE 18 3.493 1.915 -8.369
133 H ALA 19 HN ALA 19 7.551 -1.600 -5.950
134 HA ALA 19 HA ALA 19 10.124 -0.760 -4.955
135 HB1 ALA 19 HB1 ALA 19 8.262 -1.187 -3.452
136 HB2 ALA 19 HB2 ALA 19 9.616 -2.264 -3.098
137 HB3 ALA 19 HB3 ALA 19 8.209 -2.868 -3.974
138 H GLY 20 HN GLY 20 8.694 -3.625 -6.418
139 HA2 GLY 20 HA2 GLY 20 9.789 -5.307 -7.620
140 HA3 GLY 20 HA1 GLY 20 11.334 -4.686 -7.049
141 H ILE 21 HN ILE 21 8.885 -5.148 -4.736
142 HA ILE 21 HA ILE 21 10.448 -7.316 -3.542
143 HB ILE 21 HB ILE 21 8.327 -5.515 -2.313
144 HG12 ILE 21 HG12 ILE 21 10.337 -4.258 -2.827
145 HG13 ILE 21 HG11 ILE 21 10.209 -4.476 -1.087
146 HG21 ILE 21 HG21 ILE 21 9.033 -6.396 -0.135
147 HG22 ILE 21 HG22 ILE 21 10.113 -7.527 -0.952
148 HG23 ILE 21 HG23 ILE 21 8.367 -7.659 -1.171
149 HD11 ILE 21 HD11 ILE 21 12.003 -6.035 -2.943
150 HD12 ILE 21 HD12 ILE 21 11.872 -6.270 -1.202
151 HD13 ILE 21 HD13 ILE 21 12.498 -4.751 -1.840
152 HA PRO 22 HA PRO 22 7.654 -10.809 -4.509
153 HB2 PRO 22 HB2 PRO 22 7.722 -11.195 -1.630
154 HB3 PRO 22 HB1 PRO 22 8.310 -12.245 -2.919
155 HG2 PRO 22 HG2 PRO 22 9.807 -10.370 -1.273
156 HG3 PRO 22 HG1 PRO 22 10.418 -11.585 -2.408
157 HD2 PRO 22 HD2 PRO 22 10.663 -8.916 -2.882
158 HD3 PRO 22 HD1 PRO 22 10.409 -10.121 -4.177
159 H VAL 23 HN VAL 23 5.787 -10.666 -4.989
160 HA VAL 23 HA VAL 23 3.751 -9.029 -4.079
161 HB VAL 23 HB VAL 23 3.631 -11.843 -5.228
162 HG11 VAL 23 HG11 VAL 23 1.510 -11.304 -4.141
163 HG12 VAL 23 HG12 VAL 23 1.336 -11.358 -5.893
164 HG13 VAL 23 HG13 VAL 23 1.414 -9.803 -5.064
165 HG21 VAL 23 HG21 VAL 23 4.744 -10.259 -6.679
166 HG22 VAL 23 HG22 VAL 23 3.379 -9.150 -6.548
167 HG23 VAL 23 HG23 VAL 23 3.178 -10.712 -7.346
168 H GLU 24 HN GLU 24 4.630 -12.271 -3.153
169 HA GLU 24 HA GLU 24 2.583 -12.350 -1.280
170 HB2 GLU 24 HB2 GLU 24 4.655 -14.388 -1.925
171 HB3 GLU 24 HB1 GLU 24 3.454 -14.632 -0.663
172 HG2 GLU 24 HG2 GLU 24 1.678 -14.320 -2.320
173 HG3 GLU 24 HG1 GLU 24 2.912 -14.148 -3.573
174 H ASP 25 HN ASP 25 5.530 -10.953 -1.024
175 HA ASP 25 HA ASP 25 5.775 -11.722 1.755
176 HB2 ASP 25 HB2 ASP 25 7.878 -11.325 0.375
177 HB3 ASP 25 HB1 ASP 25 7.475 -9.607 0.418
178 H VAL 26 HN VAL 26 4.282 -9.508 -0.159
179 HA VAL 26 HA VAL 26 3.779 -7.493 1.769
180 HB VAL 26 HB VAL 26 2.685 -8.211 -0.968
181 HG11 VAL 26 HG11 VAL 26 1.646 -5.961 0.770
182 HG12 VAL 26 HG12 VAL 26 0.776 -7.446 0.319
183 HG13 VAL 26 HG13 VAL 26 1.247 -6.298 -0.933
184 HG21 VAL 26 HG21 VAL 26 4.812 -7.055 -0.825
185 HG22 VAL 26 HG22 VAL 26 4.073 -5.796 0.163
186 HG23 VAL 26 HG23 VAL 26 3.579 -5.995 -1.514
187 H LYS 27 HN LYS 27 3.292 -8.660 3.467
188 HA LYS 27 HA LYS 27 0.807 -10.232 3.715
189 HB2 LYS 27 HB2 LYS 27 3.105 -9.648 5.608
190 HB3 LYS 27 HB1 LYS 27 1.774 -10.757 5.929
191 HG2 LYS 27 HG2 LYS 27 2.490 -12.246 4.214
192 HG3 LYS 27 HG1 LYS 27 3.664 -11.076 3.616
193 HD2 LYS 27 HD2 LYS 27 4.958 -11.287 5.652
194 HD3 LYS 27 HD1 LYS 27 3.751 -12.379 6.336
195 HE2 LYS 27 HE2 LYS 27 5.689 -13.604 5.459
196 HE3 LYS 27 HE1 LYS 27 4.207 -14.010 4.601
197 HZ1 LYS 27 HZ1 LYS 27 4.908 -12.551 2.793
198 HZ2 LYS 27 HZ2 LYS 27 6.019 -13.754 3.081
199 HZ3 LYS 27 HZ3 LYS 27 6.366 -12.194 3.591
200 H LEU 28 HN LEU 28 0.930 -9.186 6.679
201 HA LEU 28 HA LEU 28 -0.061 -6.513 6.047
202 HB2 LEU 28 HB2 LEU 28 -1.327 -8.537 7.827
203 HB3 LEU 28 HB1 LEU 28 -1.545 -6.833 8.156
204 HG LEU 28 HG LEU 28 -2.404 -6.668 5.750
205 HD11 LEU 28 HD11 LEU 28 -3.432 -8.625 4.825
206 HD12 LEU 28 HD12 LEU 28 -2.706 -9.636 6.084
207 HD13 LEU 28 HD13 LEU 28 -1.681 -8.788 4.913
208 HD21 LEU 28 HD21 LEU 28 -3.778 -6.408 7.678
209 HD22 LEU 28 HD22 LEU 28 -3.976 -8.162 7.814
210 HD23 LEU 28 HD23 LEU 28 -4.646 -7.292 6.419
211 H ASP 29 HN ASP 29 2.043 -8.303 7.909
212 HA ASP 29 HA ASP 29 2.425 -6.298 10.011
213 HB2 ASP 29 HB2 ASP 29 2.615 -8.641 10.657
214 HB3 ASP 29 HB1 ASP 29 3.799 -8.939 9.397
215 H LYS 30 HN LYS 30 3.116 -6.502 6.997
216 HA LYS 30 HA LYS 30 5.929 -5.828 7.020
217 HB2 LYS 30 HB2 LYS 30 3.978 -6.318 4.828
218 HB3 LYS 30 HB1 LYS 30 5.591 -5.699 4.525
219 HG2 LYS 30 HG2 LYS 30 5.026 -8.261 5.986
220 HG3 LYS 30 HG1 LYS 30 5.392 -8.153 4.260
221 HD2 LYS 30 HD2 LYS 30 7.532 -7.011 4.854
222 HD3 LYS 30 HD1 LYS 30 7.136 -7.274 6.538
223 HE2 LYS 30 HE2 LYS 30 7.180 -9.669 6.250
224 HE3 LYS 30 HE1 LYS 30 7.474 -9.482 4.520
225 HZ1 LYS 30 HZ1 LYS 30 9.581 -8.484 4.984
226 HZ2 LYS 30 HZ2 LYS 30 9.528 -9.930 5.848
227 HZ3 LYS 30 HZ3 LYS 30 9.269 -8.451 6.631
228 H SER 31 HN SER 31 6.092 -3.795 7.926
229 HA SER 31 HA SER 31 4.754 -1.575 6.934
230 HB2 SER 31 HB2 SER 31 7.511 -1.775 8.141
231 HB3 SER 31 HB1 SER 31 6.375 -0.418 8.161
232 HG SER 31 HG SER 31 6.474 -1.691 10.138
233 H PHE 32 HN PHE 32 4.909 -1.151 4.773
234 HA PHE 32 HA PHE 32 6.436 -1.757 2.754
235 HB2 PHE 32 HB2 PHE 32 5.515 0.995 3.441
236 HB3 PHE 32 HB1 PHE 32 6.302 0.658 1.911
237 HD1 PHE 32 HD1 PHE 32 5.202 -0.962 0.343
238 HD2 PHE 32 HD2 PHE 32 3.324 0.474 3.855
239 HE1 PHE 32 HE1 PHE 32 3.015 -1.667 -0.544
240 HE2 PHE 32 HE2 PHE 32 1.137 -0.222 2.975
241 HZ PHE 32 HZ PHE 32 1.014 -1.308 0.708
242 H THR 33 HN THR 33 7.569 1.456 3.705
243 HA THR 33 HA THR 33 10.220 0.526 3.229
244 HB THR 33 HB THR 33 10.658 3.042 3.974
245 HG1 THR 33 HG1 THR 33 8.912 4.253 3.892
246 HG21 THR 33 HG21 THR 33 11.154 2.055 1.801
247 HG22 THR 33 HG22 THR 33 10.371 3.621 1.580
248 HG23 THR 33 HG23 THR 33 9.462 2.132 1.355
249 H ASP 34 HN ASP 34 9.985 -1.001 5.016
250 HA ASP 34 HA ASP 34 11.708 -0.219 7.129
251 HB2 ASP 34 HB2 ASP 34 9.750 0.753 8.132
252 HB3 ASP 34 HB1 ASP 34 8.818 -0.709 7.836
253 H ASP 35 HN ASP 35 9.110 -2.561 6.562
254 HA ASP 35 HA ASP 35 10.919 -4.725 7.431
255 HB2 ASP 35 HB2 ASP 35 8.413 -4.237 8.271
256 HB3 ASP 35 HB1 ASP 35 8.039 -5.211 6.849
257 H LEU 36 HN LEU 36 8.981 -3.597 4.733
258 HA LEU 36 HA LEU 36 9.615 -5.895 3.063
259 HB2 LEU 36 HB2 LEU 36 8.325 -3.237 2.425
260 HB3 LEU 36 HB1 LEU 36 8.649 -4.458 1.219
261 HG LEU 36 HG LEU 36 6.838 -4.863 3.588
262 HD11 LEU 36 HD11 LEU 36 5.971 -3.138 2.068
263 HD12 LEU 36 HD12 LEU 36 5.013 -4.617 1.964
264 HD13 LEU 36 HD13 LEU 36 6.186 -4.235 0.705
265 HD21 LEU 36 HD21 LEU 36 7.806 -6.913 2.689
266 HD22 LEU 36 HD22 LEU 36 7.284 -6.458 1.068
267 HD23 LEU 36 HD23 LEU 36 6.086 -6.816 2.315
268 H ASP 37 HN ASP 37 10.366 -2.476 3.157
269 HA ASP 37 HA ASP 37 12.120 -1.258 2.711
270 HB2 ASP 37 HB2 ASP 37 13.689 -2.932 3.580
271 HB3 ASP 37 HB1 ASP 37 13.630 -3.811 2.056
272 H VAL 38 HN VAL 38 11.301 -0.133 1.271
273 HA VAL 38 HA VAL 38 11.057 -1.126 -1.482
274 HB VAL 38 HB VAL 38 9.553 1.106 -0.032
275 HG11 VAL 38 HG11 VAL 38 8.086 1.238 -1.978
276 HG12 VAL 38 HG12 VAL 38 9.101 0.075 -2.833
277 HG13 VAL 38 HG13 VAL 38 9.746 1.659 -2.403
278 HG21 VAL 38 HG21 VAL 38 8.893 -1.095 0.729
279 HG22 VAL 38 HG22 VAL 38 8.616 -1.611 -0.936
280 HG23 VAL 38 HG23 VAL 38 7.604 -0.357 -0.221
281 H ASP 39 HN ASP 39 10.928 2.191 -0.636
282 HA ASP 39 HA ASP 39 13.452 3.183 -1.017
283 HB2 ASP 39 HB2 ASP 39 13.000 2.200 -3.465
284 HB3 ASP 39 HB1 ASP 39 11.806 3.506 -3.497
285 H SER 40 HN SER 40 12.882 5.531 -2.062
286 HA SER 40 HA SER 40 10.799 6.444 -0.233
287 HB2 SER 40 HB2 SER 40 13.108 7.252 0.079
288 HB3 SER 40 HB1 SER 40 13.043 7.977 -1.528
289 H LEU 41 HN LEU 41 12.005 6.680 -3.489
290 HA LEU 41 HA LEU 41 9.954 8.559 -4.289
291 HB2 LEU 41 HB2 LEU 41 11.907 6.988 -5.976
292 HB3 LEU 41 HB1 LEU 41 10.893 8.297 -6.547
293 HG LEU 41 HG LEU 41 13.154 8.530 -4.564
294 HD11 LEU 41 HD11 LEU 41 14.240 9.829 -6.316
295 HD12 LEU 41 HD12 LEU 41 12.886 9.499 -7.400
296 HD13 LEU 41 HD13 LEU 41 13.909 8.177 -6.836
297 HD21 LEU 41 HD21 LEU 41 11.343 10.666 -5.703
298 HD22 LEU 41 HD22 LEU 41 12.763 10.950 -4.693
299 HD23 LEU 41 HD23 LEU 41 11.366 10.105 -4.031
300 H SER 42 HN SER 42 10.588 5.196 -4.348
301 HA SER 42 HA SER 42 8.574 4.412 -6.145
302 HB2 SER 42 HB2 SER 42 9.874 2.853 -3.917
303 HB3 SER 42 HB1 SER 42 9.107 2.203 -5.369
304 HG SER 42 HG SER 42 10.727 3.558 -6.519
305 H MET 43 HN MET 43 8.725 5.178 -2.774
306 HA MET 43 HA MET 43 6.479 3.801 -1.811
307 HB2 MET 43 HB2 MET 43 8.218 4.752 -0.394
308 HB3 MET 43 HB1 MET 43 7.689 6.372 -0.833
309 HG2 MET 43 HG2 MET 43 6.873 5.591 1.349
310 HG3 MET 43 HG1 MET 43 5.600 6.062 0.207
311 HE1 MET 43 HE1 MET 43 6.801 1.666 0.635
312 HE2 MET 43 HE2 MET 43 7.523 2.893 1.676
313 HE3 MET 43 HE3 MET 43 7.754 2.983 -0.070
314 H VAL 44 HN VAL 44 6.879 7.031 -3.170
315 HA VAL 44 HA VAL 44 4.253 7.856 -2.559
316 HB VAL 44 HB VAL 44 6.260 9.071 -4.493
317 HG11 VAL 44 HG11 VAL 44 3.991 9.884 -4.895
318 HG12 VAL 44 HG12 VAL 44 4.996 11.154 -4.194
319 HG13 VAL 44 HG13 VAL 44 3.827 10.299 -3.189
320 HG21 VAL 44 HG21 VAL 44 6.830 10.592 -2.626
321 HG22 VAL 44 HG22 VAL 44 7.190 8.913 -2.239
322 HG23 VAL 44 HG23 VAL 44 5.761 9.676 -1.566
323 H GLU 45 HN GLU 45 5.799 6.196 -5.254
324 HA GLU 45 HA GLU 45 3.636 6.614 -7.033
325 HB2 GLU 45 HB2 GLU 45 5.807 4.516 -7.062
326 HB3 GLU 45 HB1 GLU 45 4.685 4.830 -8.375
327 HG2 GLU 45 HG2 GLU 45 5.583 7.140 -8.490
328 HG3 GLU 45 HG1 GLU 45 6.812 6.667 -7.317
329 H VAL 46 HN VAL 46 4.536 4.188 -4.668
330 HA VAL 46 HA VAL 46 2.582 2.273 -5.234
331 HB VAL 46 HB VAL 46 3.775 3.000 -2.517
332 HG11 VAL 46 HG11 VAL 46 1.697 1.736 -2.229
333 HG12 VAL 46 HG12 VAL 46 3.103 0.771 -1.780
334 HG13 VAL 46 HG13 VAL 46 2.300 0.490 -3.325
335 HG21 VAL 46 HG21 VAL 46 5.453 2.292 -4.134
336 HG22 VAL 46 HG22 VAL 46 4.520 0.838 -4.484
337 HG23 VAL 46 HG23 VAL 46 5.236 1.064 -2.889
338 H VAL 47 HN VAL 47 2.501 5.082 -3.104
339 HA VAL 47 HA VAL 47 -0.123 4.946 -2.145
340 HB VAL 47 HB VAL 47 1.406 7.451 -2.935
341 HG11 VAL 47 HG11 VAL 47 -0.967 7.892 -2.558
342 HG12 VAL 47 HG12 VAL 47 0.010 8.596 -1.272
343 HG13 VAL 47 HG13 VAL 47 -0.872 7.098 -0.990
344 HG21 VAL 47 HG21 VAL 47 1.334 5.984 -0.298
345 HG22 VAL 47 HG22 VAL 47 2.121 7.536 -0.586
346 HG23 VAL 47 HG23 VAL 47 2.707 6.084 -1.400
347 H VAL 48 HN VAL 48 1.019 6.970 -4.835
348 HA VAL 48 HA VAL 48 -1.390 7.715 -5.951
349 HB VAL 48 HB VAL 48 1.183 7.126 -7.459
350 HG11 VAL 48 HG11 VAL 48 -0.712 7.293 -8.998
351 HG12 VAL 48 HG12 VAL 48 0.352 8.692 -9.152
352 HG13 VAL 48 HG13 VAL 48 -1.171 8.836 -8.277
353 HG21 VAL 48 HG21 VAL 48 0.130 9.692 -6.269
354 HG22 VAL 48 HG22 VAL 48 1.601 9.532 -7.226
355 HG23 VAL 48 HG23 VAL 48 1.479 8.737 -5.657
356 H ALA 49 HN ALA 49 0.431 4.767 -6.810
357 HA ALA 49 HA ALA 49 -1.420 3.914 -8.760
358 HB1 ALA 49 HB1 ALA 49 0.908 3.147 -8.709
359 HB2 ALA 49 HB2 ALA 49 -0.238 1.806 -8.760
360 HB3 ALA 49 HB3 ALA 49 0.560 2.227 -7.245
361 H ALA 50 HN ALA 50 -1.337 3.461 -5.282
362 HA ALA 50 HA ALA 50 -3.204 1.318 -5.159
363 HB1 ALA 50 HB1 ALA 50 -3.438 1.895 -2.800
364 HB2 ALA 50 HB2 ALA 50 -2.607 3.427 -3.082
365 HB3 ALA 50 HB3 ALA 50 -1.736 1.907 -3.268
366 H GLU 51 HN GLU 51 -3.510 4.814 -5.179
367 HA GLU 51 HA GLU 51 -6.249 5.102 -4.683
368 HB2 GLU 51 HB2 GLU 51 -4.699 6.686 -6.720
369 HB3 GLU 51 HB1 GLU 51 -6.055 7.207 -5.742
370 HG2 GLU 51 HG2 GLU 51 -4.672 7.272 -3.776
371 HG3 GLU 51 HG1 GLU 51 -3.323 6.571 -4.675
372 H GLU 52 HN GLU 52 -4.405 4.739 -7.594
373 HA GLU 52 HA GLU 52 -6.434 4.738 -9.524
374 HB2 GLU 52 HB2 GLU 52 -3.948 5.074 -9.790
375 HB3 GLU 52 HB1 GLU 52 -3.782 3.335 -9.643
376 HG2 GLU 52 HG2 GLU 52 -3.721 3.951 -11.946
377 HG3 GLU 52 HG1 GLU 52 -5.214 3.069 -11.632
378 H ARG 53 HN ARG 53 -5.163 2.210 -7.454
379 HA ARG 53 HA ARG 53 -6.093 0.058 -9.119
380 HB2 ARG 53 HB2 ARG 53 -4.032 -0.088 -7.672
381 HB3 ARG 53 HB1 ARG 53 -5.096 -0.115 -6.271
382 HG2 ARG 53 HG2 ARG 53 -4.487 -2.366 -6.789
383 HG3 ARG 53 HG1 ARG 53 -6.188 -2.149 -7.226
384 HD2 ARG 53 HD2 ARG 53 -5.358 -1.588 -9.554
385 HD3 ARG 53 HD1 ARG 53 -3.795 -2.174 -9.011
386 HE ARG 53 HE ARG 53 -5.851 -4.077 -8.557
387 HH11 ARG 53 HH11 ARG 53 -3.469 -2.879 -10.896
388 HH12 ARG 53 HH12 ARG 53 -3.749 -4.064 -12.077
389 HH21 ARG 53 HH21 ARG 53 -6.265 -5.776 -10.193
390 HH22 ARG 53 HH22 ARG 53 -5.327 -5.808 -11.620
391 H PHE 54 HN PHE 54 -6.894 1.348 -5.933
392 HA PHE 54 HA PHE 54 -9.139 -0.497 -5.809
393 HB2 PHE 54 HB2 PHE 54 -7.993 1.344 -3.735
394 HB3 PHE 54 HB1 PHE 54 -9.258 0.152 -3.470
395 HD1 PHE 54 HD1 PHE 54 -8.551 -2.286 -4.406
396 HD2 PHE 54 HD2 PHE 54 -5.883 0.759 -3.076
397 HE1 PHE 54 HE1 PHE 54 -6.841 -3.971 -3.941
398 HE2 PHE 54 HE2 PHE 54 -4.189 -0.955 -2.575
399 HZ PHE 54 HZ PHE 54 -4.667 -3.298 -3.040
400 H ASP 55 HN ASP 55 -8.604 2.587 -6.798
401 HA ASP 55 HA ASP 55 -9.863 4.259 -7.511
402 HB2 ASP 55 HB2 ASP 55 -11.413 2.452 -8.349
403 HB3 ASP 55 HB1 ASP 55 -12.318 2.596 -6.850
404 H VAL 56 HN VAL 56 -9.218 3.719 -4.689
405 HA VAL 56 HA VAL 56 -10.925 5.760 -3.492
406 HB VAL 56 HB VAL 56 -10.996 3.764 -2.158
407 HG11 VAL 56 HG11 VAL 56 -7.980 3.820 -2.066
408 HG12 VAL 56 HG12 VAL 56 -8.978 2.635 -2.907
409 HG13 VAL 56 HG13 VAL 56 -9.002 2.714 -1.145
410 HG21 VAL 56 HG21 VAL 56 -10.110 4.532 -0.005
411 HG22 VAL 56 HG22 VAL 56 -10.945 5.808 -0.893
412 HG23 VAL 56 HG23 VAL 56 -9.180 5.774 -0.846
413 H LYS 57 HN LYS 57 -10.111 7.622 -3.440
414 HA LYS 57 HA LYS 57 -7.426 8.141 -4.344
415 HB2 LYS 57 HB2 LYS 57 -9.789 9.489 -4.508
416 HB3 LYS 57 HB1 LYS 57 -9.042 10.328 -3.161
417 HG2 LYS 57 HG2 LYS 57 -7.771 9.980 -5.869
418 HG3 LYS 57 HG1 LYS 57 -8.690 11.390 -5.373
419 HD2 LYS 57 HD2 LYS 57 -7.059 11.917 -3.686
420 HD3 LYS 57 HD1 LYS 57 -6.205 10.399 -3.991
421 HE2 LYS 57 HE2 LYS 57 -6.592 12.581 -6.042
422 HE3 LYS 57 HE1 LYS 57 -5.133 12.378 -5.068
423 HZ1 LYS 57 HZ1 LYS 57 -6.216 10.311 -6.928
424 HZ2 LYS 57 HZ2 LYS 57 -4.794 10.245 -6.013
425 HZ3 LYS 57 HZ3 LYS 57 -4.930 11.345 -7.284
426 H ILE 58 HN ILE 58 -5.985 7.425 -2.899
427 HA ILE 58 HA ILE 58 -6.130 8.318 -0.110
428 HB ILE 58 HB ILE 58 -4.060 6.455 -1.306
429 HG12 ILE 58 HG12 ILE 58 -6.676 5.625 -0.022
430 HG13 ILE 58 HG11 ILE 58 -6.348 5.557 -1.748
431 HG21 ILE 58 HG21 ILE 58 -5.110 6.819 1.511
432 HG22 ILE 58 HG22 ILE 58 -3.551 7.383 0.903
433 HG23 ILE 58 HG23 ILE 58 -3.883 5.656 1.021
434 HD11 ILE 58 HD11 ILE 58 -4.558 3.947 -1.343
435 HD12 ILE 58 HD12 ILE 58 -6.108 3.379 -0.715
436 HD13 ILE 58 HD13 ILE 58 -4.895 4.022 0.388
437 HA PRO 59 HA PRO 59 -3.167 11.280 -1.913
438 HB2 PRO 59 HB2 PRO 59 -3.442 13.201 -0.033
439 HB3 PRO 59 HB1 PRO 59 -4.622 12.983 -1.330
440 HG2 PRO 59 HG2 PRO 59 -4.749 12.096 1.515
441 HG3 PRO 59 HG1 PRO 59 -6.026 12.791 0.497
442 HD2 PRO 59 HD2 PRO 59 -5.775 10.118 1.005
443 HD3 PRO 59 HD1 PRO 59 -6.528 10.775 -0.461
444 H ASP 60 HN ASP 60 -1.025 11.724 -1.378
445 HA ASP 60 HA ASP 60 0.267 10.142 0.496
446 HB2 ASP 60 HB2 ASP 60 2.302 11.295 -0.052
447 HB3 ASP 60 HB1 ASP 60 1.359 11.173 -1.527
448 H ASP 61 HN ASP 61 -1.397 13.012 0.939
449 HA ASP 61 HA ASP 61 -0.196 13.995 3.305
450 HB2 ASP 61 HB2 ASP 61 -1.747 15.369 2.054
451 HB3 ASP 61 HB1 ASP 61 -3.052 14.220 2.341
452 H ASP 62 HN ASP 62 -3.108 11.960 2.880
453 HA ASP 62 HA ASP 62 -3.265 11.485 5.748
454 HB2 ASP 62 HB2 ASP 62 -5.319 11.897 4.389
455 HB3 ASP 62 HB1 ASP 62 -5.000 10.421 3.493
456 H VAL 63 HN VAL 63 -2.114 9.889 2.941
457 HA VAL 63 HA VAL 63 -2.158 7.237 3.763
458 HB VAL 63 HB VAL 63 -1.435 8.294 1.476
459 HG11 VAL 63 HG11 VAL 63 0.522 9.468 2.220
460 HG12 VAL 63 HG12 VAL 63 0.958 8.234 1.034
461 HG13 VAL 63 HG13 VAL 63 1.260 7.957 2.749
462 HG21 VAL 63 HG21 VAL 63 -0.342 6.205 0.826
463 HG22 VAL 63 HG22 VAL 63 -1.790 5.942 1.800
464 HG23 VAL 63 HG23 VAL 63 -0.190 5.774 2.529
465 H LYS 64 HN LYS 64 -0.279 9.792 4.926
466 HA LYS 64 HA LYS 64 2.045 8.550 5.814
467 HB2 LYS 64 HB2 LYS 64 0.645 10.901 7.068
468 HB3 LYS 64 HB1 LYS 64 2.327 10.451 7.294
469 HG2 LYS 64 HG2 LYS 64 2.724 10.833 4.893
470 HG3 LYS 64 HG1 LYS 64 1.059 11.370 4.718
471 HD2 LYS 64 HD2 LYS 64 1.547 13.085 6.503
472 HD3 LYS 64 HD1 LYS 64 3.245 12.634 6.352
473 HE2 LYS 64 HE2 LYS 64 1.479 13.709 4.159
474 HE3 LYS 64 HE1 LYS 64 2.733 14.600 5.012
475 HZ1 LYS 64 HZ1 LYS 64 4.391 13.137 4.060
476 HZ2 LYS 64 HZ2 LYS 64 3.425 13.832 2.850
477 HZ3 LYS 64 HZ3 LYS 64 3.194 12.217 3.295
478 H ASN 65 HN ASN 65 -1.104 8.080 6.947
479 HA ASN 65 HA ASN 65 -0.291 7.450 9.668
480 HB2 ASN 65 HB2 ASN 65 -3.040 7.303 8.395
481 HB3 ASN 65 HB1 ASN 65 -2.682 7.036 10.096
482 HD21 ASN 65 HD21 ASN 65 -3.194 9.355 7.623
483 HD22 ASN 65 HD22 ASN 65 -3.144 10.757 8.607
484 H LEU 66 HN LEU 66 -0.697 6.042 6.640
485 HA LEU 66 HA LEU 66 -1.158 3.378 7.708
486 HB2 LEU 66 HB2 LEU 66 -0.654 4.071 4.833
487 HB3 LEU 66 HB1 LEU 66 -1.531 2.727 5.555
488 HG LEU 66 HG LEU 66 -2.520 5.578 5.451
489 HD11 LEU 66 HD11 LEU 66 -3.303 3.202 3.787
490 HD12 LEU 66 HD12 LEU 66 -2.419 4.627 3.237
491 HD13 LEU 66 HD13 LEU 66 -4.094 4.778 3.768
492 HD21 LEU 66 HD21 LEU 66 -3.940 3.036 6.242
493 HD22 LEU 66 HD22 LEU 66 -4.664 4.628 6.120
494 HD23 LEU 66 HD23 LEU 66 -3.434 4.317 7.353
495 H LYS 67 HN LYS 67 0.720 2.554 8.431
496 HA LYS 67 HA LYS 67 3.045 3.178 6.812
497 HB2 LYS 67 HB2 LYS 67 4.334 2.536 9.049
498 HB3 LYS 67 HB1 LYS 67 3.727 4.152 8.739
499 HG2 LYS 67 HG2 LYS 67 3.207 3.551 10.990
500 HG3 LYS 67 HG1 LYS 67 1.718 3.609 10.032
501 HD2 LYS 67 HD2 LYS 67 1.826 1.144 9.811
502 HD3 LYS 67 HD1 LYS 67 3.271 1.130 10.818
503 HE2 LYS 67 HE2 LYS 67 0.565 2.122 11.643
504 HE3 LYS 67 HE1 LYS 67 1.206 0.536 12.040
505 HZ1 LYS 67 HZ1 LYS 67 2.263 3.169 12.976
506 HZ2 LYS 67 HZ2 LYS 67 3.070 1.715 13.185
507 HZ3 LYS 67 HZ3 LYS 67 1.565 1.940 13.918
508 H THR 68 HN THR 68 1.037 0.686 7.325
509 HA THR 68 HA THR 68 3.146 -1.111 6.401
510 HB THR 68 HB THR 68 1.980 -3.019 7.380
511 HG1 THR 68 HG1 THR 68 0.405 -1.267 8.943
512 HG21 THR 68 HG21 THR 68 3.752 -2.028 8.647
513 HG22 THR 68 HG22 THR 68 2.492 -2.678 9.704
514 HG23 THR 68 HG23 THR 68 2.611 -0.926 9.435
515 H VAL 69 HN VAL 69 2.136 -3.003 5.363
516 HA VAL 69 HA VAL 69 0.369 -2.361 3.282
517 HB VAL 69 HB VAL 69 0.219 -4.980 3.218
518 HG11 VAL 69 HG11 VAL 69 2.890 -3.552 2.938
519 HG12 VAL 69 HG12 VAL 69 1.639 -3.596 1.696
520 HG13 VAL 69 HG13 VAL 69 2.467 -5.081 2.167
521 HG21 VAL 69 HG21 VAL 69 2.494 -4.553 5.119
522 HG22 VAL 69 HG22 VAL 69 2.060 -6.074 4.343
523 HG23 VAL 69 HG23 VAL 69 0.947 -5.316 5.482
524 H GLY 70 HN GLY 70 -0.061 -3.630 6.512
525 HA2 GLY 70 HA2 GLY 70 -2.752 -4.474 6.154
526 HA3 GLY 70 HA1 GLY 70 -1.911 -4.274 7.693
527 H ASP 71 HN ASP 71 -1.151 -1.668 7.543
528 HA ASP 71 HA ASP 71 -3.476 -0.259 8.280
529 HB2 ASP 71 HB2 ASP 71 -0.752 0.807 7.534
530 HB3 ASP 71 HB1 ASP 71 -2.068 1.841 8.059
531 H ALA 72 HN ALA 72 -1.635 -0.251 5.258
532 HA ALA 72 HA ALA 72 -3.096 1.667 3.878
533 HB1 ALA 72 HB1 ALA 72 -1.920 -0.903 2.793
534 HB2 ALA 72 HB2 ALA 72 -1.063 0.628 2.974
535 HB3 ALA 72 HB3 ALA 72 -2.399 0.493 1.830
536 H THR 73 HN THR 73 -3.581 -1.886 3.633
537 HA THR 73 HA THR 73 -6.018 -2.067 2.591
538 HB THR 73 HB THR 73 -4.852 -3.642 4.875
539 HG1 THR 73 HG1 THR 73 -3.425 -3.956 3.319
540 HG21 THR 73 HG21 THR 73 -7.230 -4.151 4.519
541 HG22 THR 73 HG22 THR 73 -6.224 -5.503 3.984
542 HG23 THR 73 HG23 THR 73 -6.925 -4.387 2.802
543 H LYS 74 HN LYS 74 -5.366 -1.412 6.051
544 HA LYS 74 HA LYS 74 -7.979 -1.601 7.009
545 HB2 LYS 74 HB2 LYS 74 -5.934 -1.578 8.414
546 HB3 LYS 74 HB1 LYS 74 -5.707 0.118 8.037
547 HG2 LYS 74 HG2 LYS 74 -6.642 -0.152 10.251
548 HG3 LYS 74 HG1 LYS 74 -7.804 0.644 9.191
549 HD2 LYS 74 HD2 LYS 74 -8.966 -1.487 8.867
550 HD3 LYS 74 HD1 LYS 74 -7.798 -2.285 9.924
551 HE2 LYS 74 HE2 LYS 74 -9.606 -0.017 10.743
552 HE3 LYS 74 HE1 LYS 74 -9.931 -1.721 11.052
553 HZ1 LYS 74 HZ1 LYS 74 -7.534 -0.257 12.093
554 HZ2 LYS 74 HZ2 LYS 74 -8.003 -1.833 12.470
555 HZ3 LYS 74 HZ3 LYS 74 -8.968 -0.521 12.933
556 H TYR 75 HN TYR 75 -6.294 1.038 5.457
557 HA TYR 75 HA TYR 75 -8.336 3.012 5.933
558 HB2 TYR 75 HB2 TYR 75 -6.031 3.718 5.531
559 HB3 TYR 75 HB1 TYR 75 -6.020 2.915 3.972
560 HD1 TYR 75 HD2 TYR 75 -7.381 3.912 2.085
561 HD2 TYR 75 HD1 TYR 75 -6.895 5.937 5.794
562 HE1 TYR 75 HE2 TYR 75 -8.096 6.033 1.036
563 HE2 TYR 75 HE1 TYR 75 -7.602 8.039 4.750
564 HH TYR 75 HH TYR 75 -9.008 8.234 1.659
565 H ILE 76 HN ILE 76 -7.145 1.175 3.219
566 HA ILE 76 HA ILE 76 -8.929 1.974 1.316
567 HB ILE 76 HB ILE 76 -7.453 -0.657 1.527
568 HG12 ILE 76 HG12 ILE 76 -6.698 1.874 0.064
569 HG13 ILE 76 HG11 ILE 76 -6.109 1.458 1.666
570 HG21 ILE 76 HG21 ILE 76 -8.615 0.756 -0.885
571 HG22 ILE 76 HG22 ILE 76 -9.277 -0.689 -0.134
572 HG23 ILE 76 HG23 ILE 76 -7.692 -0.749 -0.914
573 HD11 ILE 76 HD11 ILE 76 -5.644 -0.111 -0.854
574 HD12 ILE 76 HD12 ILE 76 -5.066 -0.543 0.753
575 HD13 ILE 76 HD13 ILE 76 -4.472 0.921 -0.030
576 H LEU 77 HN LEU 77 -9.063 -0.911 3.385
577 HA LEU 77 HA LEU 77 -11.386 -2.144 2.454
578 HB2 LEU 77 HB2 LEU 77 -9.876 -3.115 4.112
579 HB3 LEU 77 HB1 LEU 77 -10.376 -1.916 5.285
580 HG LEU 77 HG LEU 77 -12.694 -2.878 5.121
581 HD11 LEU 77 HD11 LEU 77 -12.396 -3.952 2.987
582 HD12 LEU 77 HD12 LEU 77 -12.963 -5.085 4.221
583 HD13 LEU 77 HD13 LEU 77 -11.274 -5.106 3.704
584 HD21 LEU 77 HD21 LEU 77 -10.489 -4.683 6.079
585 HD22 LEU 77 HD22 LEU 77 -12.183 -4.773 6.561
586 HD23 LEU 77 HD23 LEU 77 -11.220 -3.356 6.980
587 H ASP 78 HN ASP 78 -10.967 0.462 4.592
588 HA ASP 78 HA ASP 78 -13.792 0.600 5.408
589 HB2 ASP 78 HB2 ASP 78 -12.152 0.976 7.125
590 HB3 ASP 78 HB1 ASP 78 -11.377 2.235 6.178
591 H HIS 79 HN HIS 79 -11.523 2.409 3.566
592 HA HIS 79 HA HIS 79 -13.376 4.556 2.974
593 HB2 HIS 79 HB2 HIS 79 -10.467 4.104 2.540
594 HB3 HIS 79 HB1 HIS 79 -11.227 5.434 1.716
595 HD1 HIS 79 HD1 HIS 79 -11.359 7.563 3.057
596 HD2 HIS 79 HD2 HIS 79 -10.631 4.256 5.461
597 HE1 HIS 79 HE1 HIS 79 -10.884 8.481 5.348
598 HE2 HIS 79 HE2 HIS 79 -10.032 6.491 6.604
599 H GLN 80 HN GLN 80 -13.044 1.636 1.780
600 HA GLN 80 HA GLN 80 -12.635 1.365 -0.845
601 HB2 GLN 80 HB2 GLN 80 -14.881 0.361 0.789
602 HB3 GLN 80 HB1 GLN 80 -14.804 -0.043 -0.924
603 HG2 GLN 80 HG2 GLN 80 -12.794 -0.685 1.213
604 HG3 GLN 80 HG1 GLN 80 -13.939 -1.796 0.462
605 HE21 GLN 80 HE21 GLN 80 -11.114 -1.890 0.629
606 HE22 GLN 80 HE22 GLN 80 -10.509 -1.990 -0.982
607 H ALA 81 HN ALA 81 -13.438 1.848 -2.731
608 HA ALA 81 HA ALA 81 -15.677 3.688 -2.894
609 HB1 ALA 81 HB1 ALA 81 -14.911 4.027 -5.208
610 HB2 ALA 81 HB2 ALA 81 -13.640 2.831 -4.962
611 HB3 ALA 81 HB3 ALA 81 -13.615 4.345 -4.055
612 H2 SHW 101 H2A SHW 101 2.366 6.086 3.296
613 H2A SHW 101 H2B SHW 101 3.705 5.871 2.172
614 H3 SHW 101 H3A SHW 101 3.175 4.195 4.666
615 HO3 SHW 101 HO3 SHW 101 5.070 3.696 2.617
616 H4 SHW 101 H4A SHW 101 2.789 2.371 3.001
617 H4A SHW 101 H4B SHW 101 2.892 3.571 1.722
618 H5 SHW 101 H5A SHW 101 0.953 4.719 2.630
619 H5A SHW 101 H5B SHW 101 0.825 3.497 3.892
620 H6 SHW 101 H6A SHW 101 -0.739 3.010 2.114
621 H6A SHW 101 H6B SHW 101 0.514 1.769 2.166
622 H7 SHW 101 H7A SHW 101 1.657 2.796 0.277
623 H7A SHW 101 H7B SHW 101 0.459 4.106 0.253
624 H8 SHW 101 H8C SHW 101 -0.100 1.171 -0.162
625 H8A SHW 101 H8A SHW 101 -0.031 2.398 -1.427
626 H8B SHW 101 H8B SHW 101 -1.293 2.471 -0.201
627 H28 SHW 101 H28A SHW 101 11.034 11.985 -1.342
628 H28A SHW 101 H28B SHW 101 10.111 10.602 -0.746
629 H30 SHW 101 H30A SHW 101 10.659 14.170 -0.541
630 H30A SHW 101 H30B SHW 101 11.212 13.621 1.041
631 H30B SHW 101 H30C SHW 101 9.678 14.480 0.891
632 H31 SHW 101 H31A SHW 101 7.718 13.342 -0.223
633 H31A SHW 101 H31B SHW 101 7.936 11.723 -0.886
634 H31B SHW 101 H31C SHW 101 8.739 13.098 -1.641
635 H32 SHW 101 H32A SHW 101 9.984 11.759 2.276
636 HO33 SHW 101 H33A SHW 101 7.382 12.198 2.254
637 HN36 SHW 101 H36A SHW 101 10.193 9.695 1.135
638 H37 SHW 101 H37A SHW 101 7.759 7.982 1.391
639 H37A SHW 101 H37B SHW 101 8.826 7.875 0.019
640 H38 SHW 101 H38A SHW 101 9.415 6.086 1.341
641 H38A SHW 101 H38B SHW 101 10.730 7.266 1.622
642 HN41 SHW 101 H41A SHW 101 8.033 8.285 3.118
643 H42 SHW 101 H42A SHW 101 8.318 6.723 5.536
644 H42A SHW 101 H42B SHW 101 8.371 8.509 5.586
645 H43 SHW 101 H43A SHW 101 6.157 8.625 4.694
646 H43A SHW 101 H43B SHW 101 6.071 7.443 6.030
Start of MODEL 13
1 H1 ALA 1 HT1 ALA 1 -17.370 -1.350 -1.929
2 H2 ALA 1 HT2 ALA 1 -17.149 -2.746 -2.887
3 H3 ALA 1 HT3 ALA 1 -16.050 -1.472 -2.987
4 HA ALA 1 HA ALA 1 -15.293 -1.818 -0.803
5 HB1 ALA 1 HB1 ALA 1 -17.406 -2.574 0.160
6 HB2 ALA 1 HB2 ALA 1 -16.106 -3.711 0.512
7 HB3 ALA 1 HB3 ALA 1 -17.283 -4.079 -0.751
8 H ALA 2 HN ALA 2 -13.786 -3.823 -0.199
9 HA ALA 2 HA ALA 2 -13.499 -5.670 -2.360
10 HB1 ALA 2 HB1 ALA 2 -11.096 -5.170 -2.610
11 HB2 ALA 2 HB2 ALA 2 -11.277 -3.789 -1.530
12 HB3 ALA 2 HB3 ALA 2 -12.084 -3.790 -3.100
13 H THR 3 HN THR 3 -12.671 -7.554 -1.563
14 HA THR 3 HA THR 3 -12.754 -7.956 1.209
15 HB THR 3 HB THR 3 -11.324 -9.794 -0.696
16 HG1 THR 3 HG1 THR 3 -14.082 -9.034 -0.711
17 HG21 THR 3 HG21 THR 3 -13.457 -10.204 1.418
18 HG22 THR 3 HG22 THR 3 -11.727 -10.452 1.654
19 HG23 THR 3 HG23 THR 3 -12.620 -11.480 0.534
20 H GLN 4 HN GLN 4 -10.962 -8.221 2.641
21 HA GLN 4 HA GLN 4 -9.046 -6.246 2.268
22 HB2 GLN 4 HB2 GLN 4 -9.199 -8.397 4.329
23 HB3 GLN 4 HB1 GLN 4 -8.097 -7.025 4.398
24 HG2 GLN 4 HG2 GLN 4 -10.039 -5.487 4.343
25 HG3 GLN 4 HG1 GLN 4 -11.059 -6.873 4.216
26 HE21 GLN 4 HE21 GLN 4 -8.822 -5.324 6.461
27 HE22 GLN 4 HE22 GLN 4 -9.474 -6.131 7.839
28 H GLU 5 HN GLU 5 -8.822 -9.608 1.650
29 HA GLU 5 HA GLU 5 -5.910 -9.725 1.603
30 HB2 GLU 5 HB2 GLU 5 -7.834 -11.705 0.347
31 HB3 GLU 5 HB1 GLU 5 -6.145 -11.971 0.708
32 HG2 GLU 5 HG2 GLU 5 -7.482 -13.182 2.269
33 HG3 GLU 5 HG1 GLU 5 -6.714 -11.850 3.140
34 H GLU 6 HN GLU 6 -8.520 -9.455 -0.646
35 HA GLU 6 HA GLU 6 -7.120 -9.334 -3.058
36 HB2 GLU 6 HB2 GLU 6 -9.593 -9.562 -2.774
37 HB3 GLU 6 HB1 GLU 6 -9.659 -7.897 -2.224
38 HG2 GLU 6 HG2 GLU 6 -10.414 -7.959 -4.456
39 HG3 GLU 6 HG1 GLU 6 -8.812 -7.226 -4.471
40 H ILE 7 HN ILE 7 -7.875 -6.926 -0.608
41 HA ILE 7 HA ILE 7 -6.893 -4.636 -1.941
42 HB ILE 7 HB ILE 7 -6.925 -5.219 1.020
43 HG12 ILE 7 HG12 ILE 7 -9.088 -4.043 -0.754
44 HG13 ILE 7 HG11 ILE 7 -9.113 -5.565 0.094
45 HG21 ILE 7 HG21 ILE 7 -7.037 -2.750 1.249
46 HG22 ILE 7 HG22 ILE 7 -6.908 -2.595 -0.503
47 HG23 ILE 7 HG23 ILE 7 -5.566 -3.268 0.424
48 HD11 ILE 7 HD11 ILE 7 -9.112 -4.447 2.237
49 HD12 ILE 7 HD12 ILE 7 -10.468 -3.920 1.243
50 HD13 ILE 7 HD13 ILE 7 -9.053 -2.877 1.434
51 H VAL 8 HN VAL 8 -5.420 -6.608 0.629
52 HA VAL 8 HA VAL 8 -2.862 -5.613 0.532
53 HB VAL 8 HB VAL 8 -3.872 -8.380 1.243
54 HG11 VAL 8 HG11 VAL 8 -1.098 -7.267 1.700
55 HG12 VAL 8 HG12 VAL 8 -1.540 -8.574 0.591
56 HG13 VAL 8 HG13 VAL 8 -1.731 -8.797 2.332
57 HG21 VAL 8 HG21 VAL 8 -2.957 -6.037 2.902
58 HG22 VAL 8 HG22 VAL 8 -3.551 -7.571 3.542
59 HG23 VAL 8 HG23 VAL 8 -4.621 -6.504 2.630
60 H ALA 9 HN ALA 9 -4.298 -8.112 -1.491
61 HA ALA 9 HA ALA 9 -1.951 -8.850 -2.886
62 HB1 ALA 9 HB1 ALA 9 -3.452 -9.851 -4.532
63 HB2 ALA 9 HB2 ALA 9 -4.815 -9.006 -3.800
64 HB3 ALA 9 HB3 ALA 9 -3.951 -10.245 -2.885
65 H GLY 10 HN GLY 10 -4.449 -6.447 -3.435
66 HA2 GLY 10 HA2 GLY 10 -3.655 -5.533 -5.978
67 HA3 GLY 10 HA1 GLY 10 -4.591 -4.636 -4.776
68 H LEU 11 HN LEU 11 -2.752 -4.698 -2.732
69 HA LEU 11 HA LEU 11 -1.015 -2.568 -3.399
70 HB2 LEU 11 HB2 LEU 11 -0.986 -4.458 -1.046
71 HB3 LEU 11 HB1 LEU 11 -0.026 -3.005 -1.181
72 HG LEU 11 HG LEU 11 -3.041 -3.066 -1.099
73 HD11 LEU 11 HD11 LEU 11 -1.037 -2.369 1.047
74 HD12 LEU 11 HD12 LEU 11 -2.074 -3.794 1.017
75 HD13 LEU 11 HD13 LEU 11 -2.787 -2.188 1.173
76 HD21 LEU 11 HD21 LEU 11 -1.076 -0.784 -0.930
77 HD22 LEU 11 HD22 LEU 11 -2.827 -0.657 -0.755
78 HD23 LEU 11 HD23 LEU 11 -2.127 -1.146 -2.300
79 H ALA 12 HN ALA 12 -0.483 -5.989 -2.715
80 HA ALA 12 HA ALA 12 2.252 -6.151 -2.957
81 HB1 ALA 12 HB1 ALA 12 1.928 -8.552 -3.274
82 HB2 ALA 12 HB2 ALA 12 0.248 -8.273 -3.717
83 HB3 ALA 12 HB3 ALA 12 0.795 -7.928 -2.081
84 H GLU 13 HN GLU 13 -0.157 -6.464 -5.515
85 HA GLU 13 HA GLU 13 1.677 -7.135 -7.579
86 HB2 GLU 13 HB2 GLU 13 -0.099 -6.593 -9.178
87 HB3 GLU 13 HB1 GLU 13 -0.713 -7.580 -7.861
88 HG2 GLU 13 HG2 GLU 13 -1.756 -5.696 -6.854
89 HG3 GLU 13 HG1 GLU 13 -0.986 -4.590 -7.979
90 H ILE 14 HN ILE 14 0.755 -4.135 -6.277
91 HA ILE 14 HA ILE 14 1.839 -2.530 -8.370
92 HB ILE 14 HB ILE 14 0.873 -1.979 -5.572
93 HG12 ILE 14 HG12 ILE 14 -0.254 -1.217 -8.250
94 HG13 ILE 14 HG11 ILE 14 -0.691 -2.676 -7.366
95 HG21 ILE 14 HG21 ILE 14 2.591 -0.344 -6.105
96 HG22 ILE 14 HG22 ILE 14 0.991 0.405 -6.109
97 HG23 ILE 14 HG23 ILE 14 1.792 0.015 -7.635
98 HD11 ILE 14 HD11 ILE 14 -1.495 -1.329 -5.550
99 HD12 ILE 14 HD12 ILE 14 -2.320 -0.936 -7.059
100 HD13 ILE 14 HD13 ILE 14 -1.068 0.151 -6.416
101 H VAL 15 HN VAL 15 2.655 -3.309 -5.023
102 HA VAL 15 HA VAL 15 5.076 -1.995 -4.734
103 HB VAL 15 HB VAL 15 4.224 -4.622 -3.489
104 HG11 VAL 15 HG11 VAL 15 5.819 -4.105 -1.687
105 HG12 VAL 15 HG12 VAL 15 6.367 -2.690 -2.588
106 HG13 VAL 15 HG13 VAL 15 6.635 -4.307 -3.238
107 HG21 VAL 15 HG21 VAL 15 2.670 -2.829 -3.047
108 HG22 VAL 15 HG22 VAL 15 3.992 -1.797 -2.495
109 HG23 VAL 15 HG23 VAL 15 3.561 -3.241 -1.580
110 H ASN 16 HN ASN 16 4.465 -5.265 -5.936
111 HA ASN 16 HA ASN 16 7.117 -6.082 -6.231
112 HB2 ASN 16 HB2 ASN 16 4.980 -7.457 -6.480
113 HB3 ASN 16 HB1 ASN 16 4.918 -6.859 -8.131
114 HD21 ASN 16 HD21 ASN 16 7.698 -7.875 -6.194
115 HD22 ASN 16 HD22 ASN 16 8.233 -9.097 -7.287
116 H GLU 17 HN GLU 17 5.112 -4.078 -8.299
117 HA GLU 17 HA GLU 17 6.959 -4.226 -10.503
118 HB2 GLU 17 HB2 GLU 17 4.544 -4.110 -10.902
119 HB3 GLU 17 HB1 GLU 17 4.486 -2.534 -10.128
120 HG2 GLU 17 HG2 GLU 17 5.827 -1.576 -11.878
121 HG3 GLU 17 HG1 GLU 17 6.063 -3.168 -12.602
122 H ILE 18 HN ILE 18 5.989 -1.769 -8.154
123 HA ILE 18 HA ILE 18 7.805 0.225 -9.314
124 HB ILE 18 HB ILE 18 6.023 0.369 -6.867
125 HG12 ILE 18 HG12 ILE 18 5.630 1.666 -9.514
126 HG13 ILE 18 HG11 ILE 18 4.931 0.061 -9.185
127 HG21 ILE 18 HG21 ILE 18 6.354 2.790 -7.041
128 HG22 ILE 18 HG22 ILE 18 7.455 2.549 -8.397
129 HG23 ILE 18 HG23 ILE 18 7.893 1.964 -6.792
130 HD11 ILE 18 HD11 ILE 18 3.305 1.816 -8.926
131 HD12 ILE 18 HD12 ILE 18 4.374 2.689 -7.825
132 HD13 ILE 18 HD13 ILE 18 3.681 1.139 -7.343
133 H ALA 19 HN ALA 19 7.374 -1.302 -6.145
134 HA ALA 19 HA ALA 19 9.788 -0.200 -5.019
135 HB1 ALA 19 HB1 ALA 19 9.218 -1.602 -3.114
136 HB2 ALA 19 HB2 ALA 19 7.951 -2.389 -4.059
137 HB3 ALA 19 HB3 ALA 19 7.821 -0.677 -3.663
138 H GLY 20 HN GLY 20 8.725 -3.258 -6.386
139 HA2 GLY 20 HA2 GLY 20 10.037 -4.892 -7.396
140 HA3 GLY 20 HA1 GLY 20 11.482 -4.060 -6.832
141 H ILE 21 HN ILE 21 8.743 -4.949 -4.899
142 HA ILE 21 HA ILE 21 10.436 -6.860 -3.442
143 HB ILE 21 HB ILE 21 8.125 -5.208 -2.336
144 HG12 ILE 21 HG12 ILE 21 10.084 -3.774 -2.759
145 HG13 ILE 21 HG11 ILE 21 9.784 -3.956 -1.038
146 HG21 ILE 21 HG21 ILE 21 8.341 -7.350 -1.205
147 HG22 ILE 21 HG22 ILE 21 8.848 -6.035 -0.137
148 HG23 ILE 21 HG23 ILE 21 10.056 -7.039 -0.923
149 HD11 ILE 21 HD11 ILE 21 11.897 -5.397 -2.630
150 HD12 ILE 21 HD12 ILE 21 11.602 -5.590 -0.902
151 HD13 ILE 21 HD13 ILE 21 12.160 -4.039 -1.533
152 HA PRO 22 HA PRO 22 7.785 -10.224 -4.909
153 HB2 PRO 22 HB2 PRO 22 7.833 -11.169 -2.191
154 HB3 PRO 22 HB1 PRO 22 8.628 -11.837 -3.621
155 HG2 PRO 22 HG2 PRO 22 9.717 -10.062 -1.535
156 HG3 PRO 22 HG1 PRO 22 10.571 -11.125 -2.665
157 HD2 PRO 22 HD2 PRO 22 10.693 -8.471 -2.966
158 HD3 PRO 22 HD1 PRO 22 10.521 -9.567 -4.368
159 H VAL 23 HN VAL 23 5.797 -10.182 -5.258
160 HA VAL 23 HA VAL 23 3.688 -8.850 -4.012
161 HB VAL 23 HB VAL 23 3.653 -11.538 -5.446
162 HG11 VAL 23 HG11 VAL 23 1.583 -11.217 -4.235
163 HG12 VAL 23 HG12 VAL 23 1.311 -11.089 -5.972
164 HG13 VAL 23 HG13 VAL 23 1.370 -9.632 -4.980
165 HG21 VAL 23 HG21 VAL 23 3.231 -8.771 -6.525
166 HG22 VAL 23 HG22 VAL 23 3.019 -10.271 -7.433
167 HG23 VAL 23 HG23 VAL 23 4.615 -9.819 -6.831
168 H GLU 24 HN GLU 24 5.143 -11.879 -3.516
169 HA GLU 24 HA GLU 24 3.121 -12.798 -1.824
170 HB2 GLU 24 HB2 GLU 24 5.758 -14.070 -2.479
171 HB3 GLU 24 HB1 GLU 24 4.474 -14.864 -1.580
172 HG2 GLU 24 HG2 GLU 24 3.021 -14.819 -3.454
173 HG3 GLU 24 HG1 GLU 24 4.121 -13.764 -4.348
174 H ASP 25 HN ASP 25 5.957 -11.016 -1.327
175 HA ASP 25 HA ASP 25 6.351 -11.911 1.425
176 HB2 ASP 25 HB2 ASP 25 8.307 -11.363 -0.112
177 HB3 ASP 25 HB1 ASP 25 7.788 -9.684 -0.027
178 H VAL 26 HN VAL 26 4.643 -9.738 -0.366
179 HA VAL 26 HA VAL 26 4.299 -7.738 1.663
180 HB VAL 26 HB VAL 26 3.185 -8.078 -1.152
181 HG11 VAL 26 HG11 VAL 26 2.530 -5.826 0.767
182 HG12 VAL 26 HG12 VAL 26 1.422 -7.115 0.257
183 HG13 VAL 26 HG13 VAL 26 2.043 -5.977 -0.936
184 HG21 VAL 26 HG21 VAL 26 4.415 -6.025 -1.563
185 HG22 VAL 26 HG22 VAL 26 5.487 -7.262 -0.890
186 HG23 VAL 26 HG23 VAL 26 4.878 -5.957 0.132
187 H LYS 27 HN LYS 27 3.670 -9.233 3.213
188 HA LYS 27 HA LYS 27 0.852 -9.929 3.135
189 HB2 LYS 27 HB2 LYS 27 1.743 -11.206 5.267
190 HB3 LYS 27 HB1 LYS 27 1.784 -11.960 3.666
191 HG2 LYS 27 HG2 LYS 27 4.145 -11.108 3.515
192 HG3 LYS 27 HG1 LYS 27 4.017 -10.669 5.224
193 HD2 LYS 27 HD2 LYS 27 3.611 -12.947 5.840
194 HD3 LYS 27 HD1 LYS 27 3.493 -13.429 4.147
195 HE2 LYS 27 HE2 LYS 27 5.831 -12.743 3.838
196 HE3 LYS 27 HE1 LYS 27 5.906 -12.386 5.567
197 HZ1 LYS 27 HZ1 LYS 27 5.546 -14.671 6.088
198 HZ2 LYS 27 HZ2 LYS 27 6.792 -14.653 4.947
199 HZ3 LYS 27 HZ3 LYS 27 5.220 -15.072 4.490
200 H LEU 28 HN LEU 28 0.081 -9.886 5.620
201 HA LEU 28 HA LEU 28 -0.081 -6.999 5.764
202 HB2 LEU 28 HB2 LEU 28 -2.048 -8.612 5.743
203 HB3 LEU 28 HB1 LEU 28 -1.640 -8.972 7.401
204 HG LEU 28 HG LEU 28 -2.145 -6.127 6.732
205 HD11 LEU 28 HD11 LEU 28 -4.571 -6.475 6.871
206 HD12 LEU 28 HD12 LEU 28 -4.304 -8.225 6.900
207 HD13 LEU 28 HD13 LEU 28 -3.865 -7.284 5.470
208 HD21 LEU 28 HD21 LEU 28 -1.646 -6.831 9.038
209 HD22 LEU 28 HD22 LEU 28 -3.053 -7.902 9.008
210 HD23 LEU 28 HD23 LEU 28 -3.264 -6.151 8.885
211 H ASP 29 HN ASP 29 2.108 -8.744 7.082
212 HA ASP 29 HA ASP 29 2.196 -7.181 9.565
213 HB2 ASP 29 HB2 ASP 29 3.872 -9.464 8.569
214 HB3 ASP 29 HB1 ASP 29 4.208 -8.512 10.013
215 H LYS 30 HN LYS 30 2.956 -6.763 6.487
216 HA LYS 30 HA LYS 30 5.686 -5.936 6.860
217 HB2 LYS 30 HB2 LYS 30 3.966 -6.134 4.440
218 HB3 LYS 30 HB1 LYS 30 5.597 -5.503 4.423
219 HG2 LYS 30 HG2 LYS 30 4.818 -8.255 5.355
220 HG3 LYS 30 HG1 LYS 30 5.461 -7.872 3.756
221 HD2 LYS 30 HD2 LYS 30 7.511 -6.991 4.836
222 HD3 LYS 30 HD1 LYS 30 6.842 -7.457 6.395
223 HE2 LYS 30 HE2 LYS 30 6.836 -9.776 5.784
224 HE3 LYS 30 HE1 LYS 30 7.329 -9.381 4.140
225 HZ1 LYS 30 HZ1 LYS 30 9.447 -8.714 4.885
226 HZ2 LYS 30 HZ2 LYS 30 9.131 -10.182 5.687
227 HZ3 LYS 30 HZ3 LYS 30 8.968 -8.692 6.491
228 H SER 31 HN SER 31 6.090 -4.064 7.552
229 HA SER 31 HA SER 31 4.489 -1.803 6.761
230 HB2 SER 31 HB2 SER 31 5.594 -1.941 9.041
231 HB3 SER 31 HB1 SER 31 7.139 -1.931 8.208
232 HG SER 31 HG SER 31 5.487 0.131 7.438
233 H PHE 32 HN PHE 32 4.749 -1.238 4.741
234 HA PHE 32 HA PHE 32 6.276 -1.801 2.730
235 HB2 PHE 32 HB2 PHE 32 5.307 0.866 3.558
236 HB3 PHE 32 HB1 PHE 32 6.143 0.678 2.029
237 HD1 PHE 32 HD1 PHE 32 5.164 -1.255 0.507
238 HD2 PHE 32 HD2 PHE 32 3.127 0.597 3.720
239 HE1 PHE 32 HE1 PHE 32 3.007 -1.976 -0.470
240 HE2 PHE 32 HE2 PHE 32 0.956 -0.115 2.758
241 HZ PHE 32 HZ PHE 32 0.965 -1.513 0.620
242 H THR 33 HN THR 33 7.369 1.393 3.605
243 HA THR 33 HA THR 33 10.008 0.607 3.120
244 HB THR 33 HB THR 33 9.807 3.244 4.140
245 HG1 THR 33 HG1 THR 33 7.848 3.866 3.308
246 HG21 THR 33 HG21 THR 33 9.935 2.081 1.351
247 HG22 THR 33 HG22 THR 33 11.314 2.338 2.406
248 HG23 THR 33 HG23 THR 33 10.391 3.722 1.801
249 H ASP 34 HN ASP 34 9.294 -0.845 5.327
250 HA ASP 34 HA ASP 34 11.296 0.065 7.228
251 HB2 ASP 34 HB2 ASP 34 9.385 0.961 8.305
252 HB3 ASP 34 HB1 ASP 34 8.434 -0.487 8.023
253 H ASP 35 HN ASP 35 8.869 -2.487 6.752
254 HA ASP 35 HA ASP 35 10.769 -4.459 7.769
255 HB2 ASP 35 HB2 ASP 35 8.197 -4.394 8.340
256 HB3 ASP 35 HB1 ASP 35 8.022 -5.133 6.753
257 H LEU 36 HN LEU 36 8.844 -3.798 4.865
258 HA LEU 36 HA LEU 36 10.113 -5.804 3.251
259 HB2 LEU 36 HB2 LEU 36 8.726 -3.234 2.425
260 HB3 LEU 36 HB1 LEU 36 9.204 -4.506 1.326
261 HG LEU 36 HG LEU 36 7.147 -4.843 3.508
262 HD11 LEU 36 HD11 LEU 36 6.404 -3.218 1.848
263 HD12 LEU 36 HD12 LEU 36 5.504 -4.723 1.703
264 HD13 LEU 36 HD13 LEU 36 6.792 -4.353 0.554
265 HD21 LEU 36 HD21 LEU 36 8.264 -6.915 2.802
266 HD22 LEU 36 HD22 LEU 36 7.844 -6.567 1.122
267 HD23 LEU 36 HD23 LEU 36 6.574 -6.873 2.308
268 H ASP 37 HN ASP 37 10.338 -2.318 3.507
269 HA ASP 37 HA ASP 37 12.032 -0.858 3.595
270 HB2 ASP 37 HB2 ASP 37 13.184 -2.475 5.064
271 HB3 ASP 37 HB1 ASP 37 13.861 -3.256 3.639
272 H VAL 38 HN VAL 38 11.316 -0.276 1.526
273 HA VAL 38 HA VAL 38 13.348 -0.966 -0.400
274 HB VAL 38 HB VAL 38 11.351 -2.003 -1.078
275 HG11 VAL 38 HG11 VAL 38 9.684 -0.806 0.119
276 HG12 VAL 38 HG12 VAL 38 9.245 -0.894 -1.578
277 HG13 VAL 38 HG13 VAL 38 9.842 0.613 -0.913
278 HG21 VAL 38 HG21 VAL 38 12.686 -1.144 -2.883
279 HG22 VAL 38 HG22 VAL 38 11.865 0.414 -2.803
280 HG23 VAL 38 HG23 VAL 38 10.981 -1.022 -3.319
281 H ASP 39 HN ASP 39 11.106 1.532 -1.109
282 HA ASP 39 HA ASP 39 13.168 3.574 -0.730
283 HB2 ASP 39 HB2 ASP 39 13.086 2.518 -3.204
284 HB3 ASP 39 HB1 ASP 39 11.545 3.414 -3.130
285 H SER 40 HN SER 40 12.031 5.608 -1.440
286 HA SER 40 HA SER 40 9.459 5.626 0.007
287 HB2 SER 40 HB2 SER 40 10.156 7.898 0.775
288 HB3 SER 40 HB1 SER 40 11.175 6.574 1.362
289 H LEU 41 HN LEU 41 11.386 7.301 -2.422
290 HA LEU 41 HA LEU 41 9.242 8.802 -3.489
291 HB2 LEU 41 HB2 LEU 41 11.767 7.821 -4.844
292 HB3 LEU 41 HB1 LEU 41 10.676 9.023 -5.502
293 HG LEU 41 HG LEU 41 12.345 9.331 -3.006
294 HD11 LEU 41 HD11 LEU 41 13.548 11.014 -4.302
295 HD12 LEU 41 HD12 LEU 41 12.567 10.629 -5.717
296 HD13 LEU 41 HD13 LEU 41 13.662 9.419 -5.047
297 HD21 LEU 41 HD21 LEU 41 11.553 11.649 -3.009
298 HD22 LEU 41 HD22 LEU 41 10.216 10.514 -2.814
299 HD23 LEU 41 HD23 LEU 41 10.498 11.284 -4.375
300 H SER 42 HN SER 42 10.443 5.609 -3.910
301 HA SER 42 HA SER 42 8.697 4.892 -6.075
302 HB2 SER 42 HB2 SER 42 10.091 3.119 -4.068
303 HB3 SER 42 HB1 SER 42 9.434 2.613 -5.625
304 HG SER 42 HG SER 42 11.494 4.538 -5.251
305 H MET 43 HN MET 43 8.538 4.955 -2.601
306 HA MET 43 HA MET 43 6.340 3.250 -2.160
307 HB2 MET 43 HB2 MET 43 7.943 4.066 -0.455
308 HB3 MET 43 HB1 MET 43 7.161 5.642 -0.536
309 HG2 MET 43 HG2 MET 43 6.425 4.223 1.319
310 HG3 MET 43 HG1 MET 43 5.111 4.730 0.236
311 HE1 MET 43 HE1 MET 43 7.104 0.590 -0.022
312 HE2 MET 43 HE2 MET 43 7.636 1.880 1.069
313 HE3 MET 43 HE3 MET 43 7.765 2.100 -0.672
314 H VAL 44 HN VAL 44 6.664 6.692 -2.876
315 HA VAL 44 HA VAL 44 4.000 7.401 -2.473
316 HB VAL 44 HB VAL 44 5.958 8.718 -4.386
317 HG11 VAL 44 HG11 VAL 44 3.668 9.453 -4.756
318 HG12 VAL 44 HG12 VAL 44 4.627 10.748 -4.035
319 HG13 VAL 44 HG13 VAL 44 3.498 9.831 -3.041
320 HG21 VAL 44 HG21 VAL 44 6.909 8.567 -2.154
321 HG22 VAL 44 HG22 VAL 44 5.450 9.278 -1.470
322 HG23 VAL 44 HG23 VAL 44 6.482 10.235 -2.533
323 H GLU 45 HN GLU 45 5.690 6.027 -5.283
324 HA GLU 45 HA GLU 45 3.566 6.459 -7.093
325 HB2 GLU 45 HB2 GLU 45 5.769 4.395 -7.160
326 HB3 GLU 45 HB1 GLU 45 4.734 4.831 -8.511
327 HG2 GLU 45 HG2 GLU 45 6.725 6.606 -7.132
328 HG3 GLU 45 HG1 GLU 45 6.902 5.865 -8.721
329 H VAL 46 HN VAL 46 4.478 3.930 -4.864
330 HA VAL 46 HA VAL 46 2.545 2.003 -5.547
331 HB VAL 46 HB VAL 46 3.698 2.605 -2.787
332 HG11 VAL 46 HG11 VAL 46 3.108 0.285 -2.230
333 HG12 VAL 46 HG12 VAL 46 2.342 0.108 -3.808
334 HG13 VAL 46 HG13 VAL 46 1.682 1.243 -2.631
335 HG21 VAL 46 HG21 VAL 46 4.604 0.635 -4.890
336 HG22 VAL 46 HG22 VAL 46 5.271 0.776 -3.263
337 HG23 VAL 46 HG23 VAL 46 5.446 2.109 -4.403
338 H VAL 47 HN VAL 47 2.474 4.662 -3.223
339 HA VAL 47 HA VAL 47 -0.130 4.557 -2.257
340 HB VAL 47 HB VAL 47 1.434 7.030 -3.072
341 HG11 VAL 47 HG11 VAL 47 0.084 8.232 -1.426
342 HG12 VAL 47 HG12 VAL 47 -0.855 6.772 -1.133
343 HG13 VAL 47 HG13 VAL 47 -0.912 7.551 -2.714
344 HG21 VAL 47 HG21 VAL 47 1.320 5.583 -0.430
345 HG22 VAL 47 HG22 VAL 47 2.134 7.121 -0.719
346 HG23 VAL 47 HG23 VAL 47 2.696 5.657 -1.531
347 H VAL 48 HN VAL 48 0.943 6.641 -4.916
348 HA VAL 48 HA VAL 48 -1.470 7.408 -6.001
349 HB VAL 48 HB VAL 48 1.108 6.852 -7.513
350 HG11 VAL 48 HG11 VAL 48 0.290 8.438 -9.191
351 HG12 VAL 48 HG12 VAL 48 -1.242 8.566 -8.329
352 HG13 VAL 48 HG13 VAL 48 -0.772 7.035 -9.069
353 HG21 VAL 48 HG21 VAL 48 1.517 9.254 -7.237
354 HG22 VAL 48 HG22 VAL 48 1.383 8.431 -5.682
355 HG23 VAL 48 HG23 VAL 48 0.035 9.392 -6.288
356 H ALA 49 HN ALA 49 0.337 4.469 -6.900
357 HA ALA 49 HA ALA 49 -1.569 3.648 -8.827
358 HB1 ALA 49 HB1 ALA 49 0.765 2.905 -8.896
359 HB2 ALA 49 HB2 ALA 49 -0.358 1.545 -8.913
360 HB3 ALA 49 HB3 ALA 49 0.502 1.962 -7.432
361 H ALA 50 HN ALA 50 -1.247 2.993 -5.373
362 HA ALA 50 HA ALA 50 -3.221 0.942 -5.201
363 HB1 ALA 50 HB1 ALA 50 -1.630 1.417 -3.372
364 HB2 ALA 50 HB2 ALA 50 -3.305 1.491 -2.819
365 HB3 ALA 50 HB3 ALA 50 -2.407 2.979 -3.119
366 H GLU 51 HN GLU 51 -3.312 4.424 -5.037
367 HA GLU 51 HA GLU 51 -6.014 4.795 -4.525
368 HB2 GLU 51 HB2 GLU 51 -4.261 6.453 -6.333
369 HB3 GLU 51 HB1 GLU 51 -5.764 6.956 -5.575
370 HG2 GLU 51 HG2 GLU 51 -4.688 6.625 -3.362
371 HG3 GLU 51 HG1 GLU 51 -3.173 6.307 -4.207
372 H GLU 52 HN GLU 52 -4.335 4.266 -7.528
373 HA GLU 52 HA GLU 52 -6.569 4.413 -9.282
374 HB2 GLU 52 HB2 GLU 52 -4.384 4.754 -10.124
375 HB3 GLU 52 HB1 GLU 52 -3.808 3.240 -9.471
376 HG2 GLU 52 HG2 GLU 52 -4.019 3.140 -11.893
377 HG3 GLU 52 HG1 GLU 52 -5.102 1.996 -11.106
378 H ARG 53 HN ARG 53 -4.988 1.781 -7.590
379 HA ARG 53 HA ARG 53 -6.092 -0.406 -8.987
380 HB2 ARG 53 HB2 ARG 53 -4.003 -0.478 -7.758
381 HB3 ARG 53 HB1 ARG 53 -4.823 -0.092 -6.272
382 HG2 ARG 53 HG2 ARG 53 -4.174 -2.383 -6.237
383 HG3 ARG 53 HG1 ARG 53 -5.925 -2.308 -6.359
384 HD2 ARG 53 HD2 ARG 53 -4.215 -2.637 -8.806
385 HD3 ARG 53 HD1 ARG 53 -4.571 -4.001 -7.776
386 HE ARG 53 HE ARG 53 -6.731 -2.420 -9.042
387 HH11 ARG 53 HH11 ARG 53 -5.208 -5.568 -8.314
388 HH12 ARG 53 HH12 ARG 53 -6.606 -6.452 -8.666
389 HH21 ARG 53 HH21 ARG 53 -8.588 -3.670 -9.636
390 HH22 ARG 53 HH22 ARG 53 -8.575 -5.371 -9.469
391 H PHE 54 HN PHE 54 -7.005 1.391 -6.152
392 HA PHE 54 HA PHE 54 -9.270 -0.437 -5.754
393 HB2 PHE 54 HB2 PHE 54 -7.929 1.410 -3.815
394 HB3 PHE 54 HB1 PHE 54 -9.268 0.330 -3.465
395 HD1 PHE 54 HD1 PHE 54 -8.687 -2.206 -4.396
396 HD2 PHE 54 HD2 PHE 54 -5.897 0.707 -3.010
397 HE1 PHE 54 HE1 PHE 54 -7.097 -3.973 -3.831
398 HE2 PHE 54 HE2 PHE 54 -4.329 -1.095 -2.407
399 HZ PHE 54 HZ PHE 54 -4.926 -3.409 -2.856
400 H ASP 55 HN ASP 55 -8.564 2.662 -6.883
401 HA ASP 55 HA ASP 55 -9.737 4.517 -7.410
402 HB2 ASP 55 HB2 ASP 55 -12.118 2.749 -6.826
403 HB3 ASP 55 HB1 ASP 55 -12.284 4.412 -7.362
404 H VAL 56 HN VAL 56 -9.217 3.584 -4.603
405 HA VAL 56 HA VAL 56 -11.073 4.790 -2.870
406 HB VAL 56 HB VAL 56 -9.781 2.926 -2.109
407 HG11 VAL 56 HG11 VAL 56 -7.373 3.022 -1.683
408 HG12 VAL 56 HG12 VAL 56 -7.316 4.614 -2.445
409 HG13 VAL 56 HG13 VAL 56 -7.766 3.197 -3.395
410 HG21 VAL 56 HG21 VAL 56 -8.918 3.750 0.033
411 HG22 VAL 56 HG22 VAL 56 -10.465 4.486 -0.392
412 HG23 VAL 56 HG23 VAL 56 -8.969 5.399 -0.594
413 H LYS 57 HN LYS 57 -7.945 5.928 -4.064
414 HA LYS 57 HA LYS 57 -6.795 7.818 -3.913
415 HB2 LYS 57 HB2 LYS 57 -9.474 9.109 -3.310
416 HB3 LYS 57 HB1 LYS 57 -7.986 10.023 -3.477
417 HG2 LYS 57 HG2 LYS 57 -9.223 8.306 -5.621
418 HG3 LYS 57 HG1 LYS 57 -9.386 10.051 -5.500
419 HD2 LYS 57 HD2 LYS 57 -6.712 8.673 -5.748
420 HD3 LYS 57 HD1 LYS 57 -7.652 9.151 -7.156
421 HE2 LYS 57 HE2 LYS 57 -6.010 10.845 -6.803
422 HE3 LYS 57 HE1 LYS 57 -7.534 11.525 -6.260
423 HZ1 LYS 57 HZ1 LYS 57 -6.820 11.261 -3.963
424 HZ2 LYS 57 HZ2 LYS 57 -5.529 11.947 -4.819
425 HZ3 LYS 57 HZ3 LYS 57 -5.503 10.329 -4.455
426 H ILE 58 HN ILE 58 -5.361 8.068 -2.533
427 HA ILE 58 HA ILE 58 -5.950 8.514 0.284
428 HB ILE 58 HB ILE 58 -3.806 6.577 -0.681
429 HG12 ILE 58 HG12 ILE 58 -6.462 5.842 0.583
430 HG13 ILE 58 HG11 ILE 58 -6.057 5.607 -1.113
431 HG21 ILE 58 HG21 ILE 58 -3.674 5.951 1.682
432 HG22 ILE 58 HG22 ILE 58 -4.906 7.150 2.070
433 HG23 ILE 58 HG23 ILE 58 -3.336 7.665 1.434
434 HD11 ILE 58 HD11 ILE 58 -4.678 4.303 1.224
435 HD12 ILE 58 HD12 ILE 58 -4.296 4.045 -0.481
436 HD13 ILE 58 HD13 ILE 58 -5.862 3.547 0.163
437 HA PRO 59 HA PRO 59 -3.159 11.526 -1.717
438 HB2 PRO 59 HB2 PRO 59 -3.299 13.322 0.365
439 HB3 PRO 59 HB1 PRO 59 -4.435 13.276 -0.989
440 HG2 PRO 59 HG2 PRO 59 -4.714 12.130 1.761
441 HG3 PRO 59 HG1 PRO 59 -5.920 12.973 0.769
442 HD2 PRO 59 HD2 PRO 59 -5.925 10.313 1.015
443 HD3 PRO 59 HD1 PRO 59 -6.352 11.099 -0.520
444 H ASP 60 HN ASP 60 -1.028 11.479 -1.581
445 HA ASP 60 HA ASP 60 0.634 10.207 0.053
446 HB2 ASP 60 HB2 ASP 60 1.455 11.322 -1.928
447 HB3 ASP 60 HB1 ASP 60 1.183 12.900 -1.193
448 H ASP 61 HN ASP 61 -0.799 13.243 0.877
449 HA ASP 61 HA ASP 61 0.741 14.017 3.114
450 HB2 ASP 61 HB2 ASP 61 -2.256 14.319 2.848
451 HB3 ASP 61 HB1 ASP 61 -1.187 15.243 3.884
452 H ASP 62 HN ASP 62 -2.284 12.148 2.947
453 HA ASP 62 HA ASP 62 -2.165 11.625 5.797
454 HB2 ASP 62 HB2 ASP 62 -4.255 12.412 4.631
455 HB3 ASP 62 HB1 ASP 62 -4.275 10.884 3.765
456 H VAL 63 HN VAL 63 -1.446 10.059 2.874
457 HA VAL 63 HA VAL 63 -1.740 7.377 3.657
458 HB VAL 63 HB VAL 63 -1.259 8.316 1.291
459 HG11 VAL 63 HG11 VAL 63 0.802 9.475 1.752
460 HG12 VAL 63 HG12 VAL 63 1.048 8.221 0.538
461 HG13 VAL 63 HG13 VAL 63 1.580 7.957 2.199
462 HG21 VAL 63 HG21 VAL 63 -0.273 6.246 0.537
463 HG22 VAL 63 HG22 VAL 63 -1.559 5.984 1.721
464 HG23 VAL 63 HG23 VAL 63 0.139 5.831 2.204
465 H LYS 64 HN LYS 64 0.569 9.741 4.525
466 HA LYS 64 HA LYS 64 2.779 8.143 5.047
467 HB2 LYS 64 HB2 LYS 64 2.031 10.748 6.365
468 HB3 LYS 64 HB1 LYS 64 3.627 10.010 6.398
469 HG2 LYS 64 HG2 LYS 64 3.761 10.204 3.962
470 HG3 LYS 64 HG1 LYS 64 2.172 10.956 3.936
471 HD2 LYS 64 HD2 LYS 64 3.101 12.753 5.416
472 HD3 LYS 64 HD1 LYS 64 4.697 12.032 5.174
473 HE2 LYS 64 HE2 LYS 64 2.877 13.102 3.010
474 HE3 LYS 64 HE1 LYS 64 4.324 13.892 3.631
475 HZ1 LYS 64 HZ1 LYS 64 4.342 11.228 2.315
476 HZ2 LYS 64 HZ2 LYS 64 5.684 12.179 2.691
477 HZ3 LYS 64 HZ3 LYS 64 4.590 12.661 1.499
478 H ASN 65 HN ASN 65 -0.140 8.446 6.727
479 HA ASN 65 HA ASN 65 0.894 7.673 9.307
480 HB2 ASN 65 HB2 ASN 65 -1.963 7.865 8.344
481 HB3 ASN 65 HB1 ASN 65 -1.474 7.546 10.000
482 HD21 ASN 65 HD21 ASN 65 -1.898 9.902 7.552
483 HD22 ASN 65 HD22 ASN 65 -1.591 11.294 8.520
484 H LEU 66 HN LEU 66 -0.017 6.045 6.455
485 HA LEU 66 HA LEU 66 -1.251 3.763 7.583
486 HB2 LEU 66 HB2 LEU 66 0.179 3.967 4.930
487 HB3 LEU 66 HB1 LEU 66 -0.880 2.664 5.412
488 HG LEU 66 HG LEU 66 -1.667 5.526 4.847
489 HD11 LEU 66 HD11 LEU 66 -2.984 4.523 3.052
490 HD12 LEU 66 HD12 LEU 66 -2.308 2.943 3.453
491 HD13 LEU 66 HD13 LEU 66 -1.255 4.234 2.869
492 HD21 LEU 66 HD21 LEU 66 -3.970 4.807 5.209
493 HD22 LEU 66 HD22 LEU 66 -3.013 4.659 6.685
494 HD23 LEU 66 HD23 LEU 66 -3.397 3.229 5.725
495 H LYS 67 HN LYS 67 1.962 3.878 6.052
496 HA LYS 67 HA LYS 67 3.980 3.000 6.588
497 HB2 LYS 67 HB2 LYS 67 2.698 2.276 9.216
498 HB3 LYS 67 HB1 LYS 67 4.370 1.937 8.818
499 HG2 LYS 67 HG2 LYS 67 4.822 4.313 8.653
500 HG3 LYS 67 HG1 LYS 67 3.120 4.666 8.999
501 HD2 LYS 67 HD2 LYS 67 4.794 2.975 10.788
502 HD3 LYS 67 HD1 LYS 67 4.747 4.745 10.989
503 HE2 LYS 67 HE2 LYS 67 2.337 4.601 11.362
504 HE3 LYS 67 HE1 LYS 67 2.375 2.865 11.046
505 HZ1 LYS 67 HZ1 LYS 67 3.607 2.495 12.991
506 HZ2 LYS 67 HZ2 LYS 67 2.333 3.488 13.452
507 HZ3 LYS 67 HZ3 LYS 67 3.885 4.143 13.263
508 H THR 68 HN THR 68 1.348 0.910 7.552
509 HA THR 68 HA THR 68 2.920 -1.332 6.514
510 HB THR 68 HB THR 68 1.305 -2.804 7.733
511 HG1 THR 68 HG1 THR 68 0.651 -0.638 9.395
512 HG21 THR 68 HG21 THR 68 2.982 -0.911 9.378
513 HG22 THR 68 HG22 THR 68 3.488 -2.404 8.559
514 HG23 THR 68 HG23 THR 68 2.354 -2.490 9.910
515 H VAL 69 HN VAL 69 1.850 -2.996 5.443
516 HA VAL 69 HA VAL 69 0.036 -2.255 3.435
517 HB VAL 69 HB VAL 69 -0.263 -4.788 3.241
518 HG11 VAL 69 HG11 VAL 69 1.418 -3.530 1.902
519 HG12 VAL 69 HG12 VAL 69 2.028 -5.119 2.358
520 HG13 VAL 69 HG13 VAL 69 2.566 -3.684 3.231
521 HG21 VAL 69 HG21 VAL 69 1.861 -4.720 5.330
522 HG22 VAL 69 HG22 VAL 69 1.351 -6.146 4.426
523 HG23 VAL 69 HG23 VAL 69 0.222 -5.337 5.513
524 H GLY 70 HN GLY 70 -0.324 -3.775 6.561
525 HA2 GLY 70 HA2 GLY 70 -3.049 -4.399 6.418
526 HA3 GLY 70 HA1 GLY 70 -2.136 -4.170 7.905
527 H ASP 71 HN ASP 71 -1.421 -1.500 7.736
528 HA ASP 71 HA ASP 71 -3.864 -0.279 8.496
529 HB2 ASP 71 HB2 ASP 71 -1.508 0.311 9.303
530 HB3 ASP 71 HB1 ASP 71 -1.348 1.214 7.801
531 H ALA 72 HN ALA 72 -1.881 -0.179 5.592
532 HA ALA 72 HA ALA 72 -3.261 1.760 4.146
533 HB1 ALA 72 HB1 ALA 72 -1.159 0.752 3.357
534 HB2 ALA 72 HB2 ALA 72 -2.418 0.634 2.126
535 HB3 ALA 72 HB3 ALA 72 -1.991 -0.780 3.089
536 H THR 73 HN THR 73 -3.722 -1.794 3.848
537 HA THR 73 HA THR 73 -6.091 -1.952 2.645
538 HB THR 73 HB THR 73 -5.146 -3.584 5.002
539 HG1 THR 73 HG1 THR 73 -3.587 -3.768 3.543
540 HG21 THR 73 HG21 THR 73 -6.473 -5.395 3.949
541 HG22 THR 73 HG22 THR 73 -7.035 -4.240 2.733
542 HG23 THR 73 HG23 THR 73 -7.492 -4.029 4.417
543 H LYS 74 HN LYS 74 -5.707 -1.464 6.218
544 HA LYS 74 HA LYS 74 -8.406 -1.444 6.837
545 HB2 LYS 74 HB2 LYS 74 -6.615 -1.667 8.477
546 HB3 LYS 74 HB1 LYS 74 -6.112 -0.013 8.172
547 HG2 LYS 74 HG2 LYS 74 -8.185 0.819 9.068
548 HG3 LYS 74 HG1 LYS 74 -8.778 -0.830 9.287
549 HD2 LYS 74 HD2 LYS 74 -6.956 -1.275 10.812
550 HD3 LYS 74 HD1 LYS 74 -6.366 0.372 10.615
551 HE2 LYS 74 HE2 LYS 74 -9.110 -0.329 11.667
552 HE3 LYS 74 HE1 LYS 74 -7.732 0.105 12.675
553 HZ1 LYS 74 HZ1 LYS 74 -7.698 2.278 11.750
554 HZ2 LYS 74 HZ2 LYS 74 -9.290 1.956 12.215
555 HZ3 LYS 74 HZ3 LYS 74 -8.871 1.916 10.583
556 H TYR 75 HN TYR 75 -6.408 1.052 5.488
557 HA TYR 75 HA TYR 75 -8.267 3.210 5.951
558 HB2 TYR 75 HB2 TYR 75 -5.772 3.480 5.620
559 HB3 TYR 75 HB1 TYR 75 -5.999 3.004 3.950
560 HD1 TYR 75 HD2 TYR 75 -7.435 4.545 2.462
561 HD2 TYR 75 HD1 TYR 75 -6.010 5.689 6.298
562 HE1 TYR 75 HE2 TYR 75 -7.765 6.916 1.881
563 HE2 TYR 75 HE1 TYR 75 -6.325 8.071 5.690
564 HH TYR 75 HH TYR 75 -6.560 9.412 3.961
565 H ILE 76 HN ILE 76 -7.183 1.245 3.269
566 HA ILE 76 HA ILE 76 -8.885 2.199 1.286
567 HB ILE 76 HB ILE 76 -7.558 -0.518 1.524
568 HG12 ILE 76 HG12 ILE 76 -6.598 1.965 0.097
569 HG13 ILE 76 HG11 ILE 76 -6.081 1.507 1.714
570 HG21 ILE 76 HG21 ILE 76 -8.549 1.002 -0.897
571 HG22 ILE 76 HG22 ILE 76 -9.355 -0.381 -0.170
572 HG23 ILE 76 HG23 ILE 76 -7.761 -0.578 -0.910
573 HD11 ILE 76 HD11 ILE 76 -4.450 0.876 0.038
574 HD12 ILE 76 HD12 ILE 76 -5.666 -0.101 -0.790
575 HD13 ILE 76 HD13 ILE 76 -5.136 -0.543 0.831
576 H LEU 77 HN LEU 77 -9.215 -0.704 3.337
577 HA LEU 77 HA LEU 77 -11.623 -1.671 2.303
578 HB2 LEU 77 HB2 LEU 77 -10.244 -2.887 3.926
579 HB3 LEU 77 HB1 LEU 77 -10.692 -1.738 5.173
580 HG LEU 77 HG LEU 77 -13.092 -2.448 4.733
581 HD11 LEU 77 HD11 LEU 77 -12.818 -3.536 2.642
582 HD12 LEU 77 HD12 LEU 77 -13.444 -4.666 3.843
583 HD13 LEU 77 HD13 LEU 77 -11.747 -4.734 3.368
584 HD21 LEU 77 HD21 LEU 77 -12.909 -4.402 6.193
585 HD22 LEU 77 HD22 LEU 77 -11.914 -3.054 6.748
586 HD23 LEU 77 HD23 LEU 77 -11.165 -4.422 5.925
587 H ASP 78 HN ASP 78 -11.056 0.851 4.584
588 HA ASP 78 HA ASP 78 -13.919 1.105 5.187
589 HB2 ASP 78 HB2 ASP 78 -12.342 1.351 7.035
590 HB3 ASP 78 HB1 ASP 78 -11.583 2.716 6.223
591 H HIS 79 HN HIS 79 -11.530 2.616 3.304
592 HA HIS 79 HA HIS 79 -13.219 4.905 2.652
593 HB2 HIS 79 HB2 HIS 79 -10.318 4.339 2.386
594 HB3 HIS 79 HB1 HIS 79 -10.990 5.602 1.397
595 HD1 HIS 79 HD1 HIS 79 -11.351 7.839 2.548
596 HD2 HIS 79 HD2 HIS 79 -10.438 4.787 5.221
597 HE1 HIS 79 HE1 HIS 79 -10.841 8.968 4.723
598 HE2 HIS 79 HE2 HIS 79 -10.052 7.138 6.231
599 H GLN 80 HN GLN 80 -12.982 1.923 1.529
600 HA GLN 80 HA GLN 80 -12.570 1.640 -1.086
601 HB2 GLN 80 HB2 GLN 80 -14.906 0.772 0.526
602 HB3 GLN 80 HB1 GLN 80 -14.717 0.244 -1.149
603 HG2 GLN 80 HG2 GLN 80 -12.851 -0.252 1.152
604 HG3 GLN 80 HG1 GLN 80 -13.974 -1.423 0.478
605 HE21 GLN 80 HE21 GLN 80 -11.172 -1.642 0.749
606 HE22 GLN 80 HE22 GLN 80 -10.506 -1.830 -0.835
607 H ALA 81 HN ALA 81 -13.381 2.196 -3.004
608 HA ALA 81 HA ALA 81 -15.341 4.310 -3.076
609 HB1 ALA 81 HB1 ALA 81 -13.608 3.151 -5.259
610 HB2 ALA 81 HB2 ALA 81 -13.274 4.618 -4.337
611 HB3 ALA 81 HB3 ALA 81 -14.663 4.554 -5.418
612 H2 SHW 101 H2A SHW 101 3.286 6.740 3.047
613 H2A SHW 101 H2B SHW 101 4.024 5.763 1.773
614 H3 SHW 101 H3A SHW 101 3.765 5.120 4.745
615 HO3 SHW 101 HO3 SHW 101 4.834 3.439 2.689
616 H4 SHW 101 H4A SHW 101 1.693 4.911 3.433
617 H4A SHW 101 H4B SHW 101 2.269 3.343 3.980
618 H5 SHW 101 H5A SHW 101 3.179 2.886 1.768
619 H5A SHW 101 H5B SHW 101 2.662 4.478 1.214
620 H6 SHW 101 H6A SHW 101 0.343 3.881 1.632
621 H6A SHW 101 H6B SHW 101 0.845 2.278 2.186
622 H7 SHW 101 H7A SHW 101 1.751 1.783 -0.023
623 H7A SHW 101 H7B SHW 101 1.294 3.407 -0.581
624 H8 SHW 101 H8C SHW 101 -0.578 1.273 0.437
625 H8A SHW 101 H8A SHW 101 -0.355 1.725 -1.252
626 H8B SHW 101 H8B SHW 101 -1.049 2.881 -0.116
627 H28 SHW 101 H28A SHW 101 13.864 10.910 1.868
628 H28A SHW 101 H28B SHW 101 12.141 11.141 2.184
629 H30 SHW 101 H30A SHW 101 15.274 9.675 3.517
630 H30A SHW 101 H30B SHW 101 14.096 8.364 3.571
631 H30B SHW 101 H30C SHW 101 14.594 9.162 5.064
632 H31 SHW 101 H31A SHW 101 13.904 11.539 5.489
633 H31A SHW 101 H31B SHW 101 12.932 12.385 4.284
634 H31B SHW 101 H31C SHW 101 14.612 11.975 3.931
635 H32 SHW 101 H32A SHW 101 12.197 9.656 5.685
636 HO33 SHW 101 H33A SHW 101 10.378 10.522 3.857
637 HN36 SHW 101 H36A SHW 101 12.659 7.471 4.971
638 H37 SHW 101 H37A SHW 101 10.588 6.275 3.178
639 H37A SHW 101 H37B SHW 101 12.174 5.616 3.473
640 H38 SHW 101 H38A SHW 101 10.709 4.239 4.588
641 H38A SHW 101 H38B SHW 101 11.487 5.184 5.890
642 HN41 SHW 101 H41A SHW 101 9.282 7.129 4.355
643 H42 SHW 101 H42A SHW 101 6.821 6.160 4.976
644 H42A SHW 101 H42B SHW 101 7.334 7.121 6.386
645 H43 SHW 101 H43A SHW 101 7.490 8.085 3.549
646 H43A SHW 101 H43B SHW 101 7.265 9.126 4.999
Start of MODEL 14
1 H1 ALA 1 HT1 ALA 1 -15.818 -1.921 -3.262
2 H2 ALA 1 HT2 ALA 1 -16.897 -1.065 -2.327
3 H3 ALA 1 HT3 ALA 1 -17.217 -2.700 -2.760
4 HA ALA 1 HA ALA 1 -15.005 -1.790 -1.025
5 HB1 ALA 1 HB1 ALA 1 -16.176 -3.068 0.730
6 HB2 ALA 1 HB2 ALA 1 -17.483 -3.409 -0.401
7 HB3 ALA 1 HB3 ALA 1 -17.177 -1.750 0.117
8 H ALA 2 HN ALA 2 -13.686 -3.708 -0.204
9 HA ALA 2 HA ALA 2 -14.030 -6.085 -1.823
10 HB1 ALA 2 HB1 ALA 2 -11.711 -6.028 -2.616
11 HB2 ALA 2 HB2 ALA 2 -11.496 -4.437 -1.888
12 HB3 ALA 2 HB3 ALA 2 -12.624 -4.647 -3.229
13 H THR 3 HN THR 3 -12.857 -7.866 -0.956
14 HA THR 3 HA THR 3 -12.665 -7.774 1.836
15 HB THR 3 HB THR 3 -11.612 -10.060 1.569
16 HG1 THR 3 HG1 THR 3 -11.427 -10.924 -0.402
17 HG21 THR 3 HG21 THR 3 -13.650 -11.121 0.705
18 HG22 THR 3 HG22 THR 3 -14.184 -9.568 0.060
19 HG23 THR 3 HG23 THR 3 -14.031 -9.795 1.802
20 H GLN 4 HN GLN 4 -10.894 -7.803 3.145
21 HA GLN 4 HA GLN 4 -8.899 -6.007 2.387
22 HB2 GLN 4 HB2 GLN 4 -9.042 -7.822 4.775
23 HB3 GLN 4 HB1 GLN 4 -7.952 -6.446 4.601
24 HG2 GLN 4 HG2 GLN 4 -9.888 -4.950 4.368
25 HG3 GLN 4 HG1 GLN 4 -10.955 -6.304 4.544
26 HE21 GLN 4 HE21 GLN 4 -9.268 -7.612 6.599
27 HE22 GLN 4 HE22 GLN 4 -9.520 -6.701 8.036
28 H GLU 5 HN GLU 5 -8.969 -9.393 2.263
29 HA GLU 5 HA GLU 5 -6.145 -9.928 1.900
30 HB2 GLU 5 HB2 GLU 5 -8.497 -11.439 0.778
31 HB3 GLU 5 HB1 GLU 5 -6.847 -12.029 0.937
32 HG2 GLU 5 HG2 GLU 5 -7.043 -11.984 3.337
33 HG3 GLU 5 HG1 GLU 5 -8.665 -11.299 3.210
34 H GLU 6 HN GLU 6 -8.779 -9.096 -0.225
35 HA GLU 6 HA GLU 6 -7.310 -9.468 -2.610
36 HB2 GLU 6 HB2 GLU 6 -9.825 -9.471 -2.328
37 HB3 GLU 6 HB1 GLU 6 -9.723 -7.727 -2.142
38 HG2 GLU 6 HG2 GLU 6 -10.348 -8.173 -4.379
39 HG3 GLU 6 HG1 GLU 6 -8.658 -7.654 -4.405
40 H ILE 7 HN ILE 7 -7.989 -6.897 -0.400
41 HA ILE 7 HA ILE 7 -6.938 -4.711 -1.812
42 HB ILE 7 HB ILE 7 -6.997 -5.197 1.172
43 HG12 ILE 7 HG12 ILE 7 -9.103 -4.071 -0.699
44 HG13 ILE 7 HG11 ILE 7 -9.173 -5.500 0.283
45 HG21 ILE 7 HG21 ILE 7 -7.005 -2.751 1.350
46 HG22 ILE 7 HG22 ILE 7 -6.865 -2.624 -0.406
47 HG23 ILE 7 HG23 ILE 7 -5.554 -3.334 0.535
48 HD11 ILE 7 HD11 ILE 7 -9.046 -2.716 1.387
49 HD12 ILE 7 HD12 ILE 7 -9.189 -4.212 2.312
50 HD13 ILE 7 HD13 ILE 7 -10.497 -3.708 1.238
51 H VAL 8 HN VAL 8 -5.469 -6.682 0.777
52 HA VAL 8 HA VAL 8 -2.850 -5.757 0.555
53 HB VAL 8 HB VAL 8 -3.890 -8.486 1.406
54 HG11 VAL 8 HG11 VAL 8 -1.728 -8.816 2.519
55 HG12 VAL 8 HG12 VAL 8 -1.130 -7.315 1.793
56 HG13 VAL 8 HG13 VAL 8 -1.562 -8.686 0.767
57 HG21 VAL 8 HG21 VAL 8 -4.675 -6.616 2.770
58 HG22 VAL 8 HG22 VAL 8 -3.034 -6.062 2.988
59 HG23 VAL 8 HG23 VAL 8 -3.538 -7.605 3.687
60 H ALA 9 HN ALA 9 -4.473 -8.293 -1.308
61 HA ALA 9 HA ALA 9 -2.247 -9.213 -2.695
62 HB1 ALA 9 HB1 ALA 9 -4.368 -10.426 -2.671
63 HB2 ALA 9 HB2 ALA 9 -3.849 -10.119 -4.327
64 HB3 ALA 9 HB3 ALA 9 -5.129 -9.139 -3.608
65 H GLY 10 HN GLY 10 -4.597 -6.671 -3.408
66 HA2 GLY 10 HA2 GLY 10 -3.582 -5.806 -5.878
67 HA3 GLY 10 HA1 GLY 10 -4.540 -4.837 -4.762
68 H LEU 11 HN LEU 11 -2.769 -4.916 -2.561
69 HA LEU 11 HA LEU 11 -0.955 -2.879 -3.170
70 HB2 LEU 11 HB2 LEU 11 -1.294 -4.765 -0.875
71 HB3 LEU 11 HB1 LEU 11 -0.022 -3.584 -0.871
72 HG LEU 11 HG LEU 11 -2.977 -2.960 -1.014
73 HD11 LEU 11 HD11 LEU 11 -2.698 -2.212 1.300
74 HD12 LEU 11 HD12 LEU 11 -1.025 -2.780 1.279
75 HD13 LEU 11 HD13 LEU 11 -2.353 -3.932 1.127
76 HD21 LEU 11 HD21 LEU 11 -0.583 -1.161 -0.618
77 HD22 LEU 11 HD22 LEU 11 -2.270 -0.659 -0.555
78 HD23 LEU 11 HD23 LEU 11 -1.582 -1.246 -2.069
79 H ALA 12 HN ALA 12 -0.524 -6.317 -2.534
80 HA ALA 12 HA ALA 12 2.213 -6.515 -2.745
81 HB1 ALA 12 HB1 ALA 12 1.863 -8.892 -3.148
82 HB2 ALA 12 HB2 ALA 12 0.193 -8.590 -3.595
83 HB3 ALA 12 HB3 ALA 12 0.727 -8.303 -1.939
84 H GLU 13 HN GLU 13 -0.192 -6.720 -5.336
85 HA GLU 13 HA GLU 13 1.766 -7.229 -7.316
86 HB2 GLU 13 HB2 GLU 13 0.020 -6.603 -9.007
87 HB3 GLU 13 HB1 GLU 13 -0.456 -7.889 -7.904
88 HG2 GLU 13 HG2 GLU 13 -1.742 -6.280 -6.621
89 HG3 GLU 13 HG1 GLU 13 -1.236 -5.003 -7.716
90 H ILE 14 HN ILE 14 0.427 -4.220 -6.269
91 HA ILE 14 HA ILE 14 1.699 -2.580 -8.169
92 HB ILE 14 HB ILE 14 0.786 -2.032 -5.347
93 HG12 ILE 14 HG12 ILE 14 -0.468 -1.341 -7.987
94 HG13 ILE 14 HG11 ILE 14 -0.851 -2.781 -7.047
95 HG21 ILE 14 HG21 ILE 14 2.452 -0.377 -5.999
96 HG22 ILE 14 HG22 ILE 14 0.840 0.350 -5.957
97 HG23 ILE 14 HG23 ILE 14 1.582 -0.078 -7.505
98 HD11 ILE 14 HD11 ILE 14 -1.159 0.042 -6.104
99 HD12 ILE 14 HD12 ILE 14 -1.563 -1.463 -5.237
100 HD13 ILE 14 HD13 ILE 14 -2.445 -1.025 -6.708
101 H VAL 15 HN VAL 15 2.569 -3.566 -4.896
102 HA VAL 15 HA VAL 15 4.953 -2.148 -4.646
103 HB VAL 15 HB VAL 15 4.120 -4.746 -3.329
104 HG11 VAL 15 HG11 VAL 15 5.796 -4.253 -1.611
105 HG12 VAL 15 HG12 VAL 15 6.338 -2.851 -2.533
106 HG13 VAL 15 HG13 VAL 15 6.559 -4.478 -3.184
107 HG21 VAL 15 HG21 VAL 15 4.020 -1.897 -2.402
108 HG22 VAL 15 HG22 VAL 15 3.574 -3.312 -1.444
109 HG23 VAL 15 HG23 VAL 15 2.652 -2.896 -2.890
110 H ASN 16 HN ASN 16 4.324 -5.297 -6.061
111 HA ASN 16 HA ASN 16 7.040 -5.974 -6.354
112 HB2 ASN 16 HB2 ASN 16 5.146 -7.587 -6.556
113 HB3 ASN 16 HB1 ASN 16 4.798 -6.902 -8.139
114 HD21 ASN 16 HD21 ASN 16 7.178 -8.527 -6.254
115 HD22 ASN 16 HD22 ASN 16 8.062 -9.258 -7.538
116 H GLU 17 HN GLU 17 4.891 -4.086 -8.290
117 HA GLU 17 HA GLU 17 6.656 -3.970 -10.544
118 HB2 GLU 17 HB2 GLU 17 4.223 -3.758 -10.800
119 HB3 GLU 17 HB1 GLU 17 4.255 -2.275 -9.861
120 HG2 GLU 17 HG2 GLU 17 5.635 -1.220 -11.590
121 HG3 GLU 17 HG1 GLU 17 5.570 -2.718 -12.527
122 H ILE 18 HN ILE 18 5.738 -1.679 -7.985
123 HA ILE 18 HA ILE 18 7.612 0.299 -9.004
124 HB ILE 18 HB ILE 18 5.780 0.404 -6.578
125 HG12 ILE 18 HG12 ILE 18 5.528 1.808 -9.185
126 HG13 ILE 18 HG11 ILE 18 4.768 0.221 -8.953
127 HG21 ILE 18 HG21 ILE 18 7.343 2.573 -7.971
128 HG22 ILE 18 HG22 ILE 18 7.689 1.905 -6.374
129 HG23 ILE 18 HG23 ILE 18 6.198 2.807 -6.649
130 HD11 ILE 18 HD11 ILE 18 4.239 2.806 -7.511
131 HD12 ILE 18 HD12 ILE 18 3.480 1.265 -7.113
132 HD13 ILE 18 HD13 ILE 18 3.188 2.012 -8.682
133 H ALA 19 HN ALA 19 7.235 -1.434 -5.894
134 HA ALA 19 HA ALA 19 9.701 -0.391 -4.808
135 HB1 ALA 19 HB1 ALA 19 7.820 -0.943 -3.385
136 HB2 ALA 19 HB2 ALA 19 9.236 -1.906 -2.965
137 HB3 ALA 19 HB3 ALA 19 7.917 -2.631 -3.888
138 H GLY 20 HN GLY 20 8.571 -3.261 -6.420
139 HA2 GLY 20 HA2 GLY 20 9.778 -4.881 -7.568
140 HA3 GLY 20 HA1 GLY 20 11.274 -4.197 -6.940
141 H ILE 21 HN ILE 21 8.520 -5.032 -5.016
142 HA ILE 21 HA ILE 21 10.226 -6.958 -3.620
143 HB ILE 21 HB ILE 21 7.891 -5.332 -2.583
144 HG12 ILE 21 HG12 ILE 21 9.866 -3.965 -2.857
145 HG13 ILE 21 HG11 ILE 21 9.599 -4.254 -1.142
146 HG21 ILE 21 HG21 ILE 21 7.908 -7.493 -1.499
147 HG22 ILE 21 HG22 ILE 21 8.413 -6.236 -0.369
148 HG23 ILE 21 HG23 ILE 21 9.614 -7.302 -1.098
149 HD11 ILE 21 HD11 ILE 21 11.611 -5.660 -2.888
150 HD12 ILE 21 HD12 ILE 21 11.353 -5.963 -1.169
151 HD13 ILE 21 HD13 ILE 21 11.953 -4.394 -1.709
152 HA PRO 22 HA PRO 22 7.830 -10.587 -4.893
153 HB2 PRO 22 HB2 PRO 22 8.097 -11.188 -2.058
154 HB3 PRO 22 HB1 PRO 22 8.756 -12.046 -3.452
155 HG2 PRO 22 HG2 PRO 22 10.056 -10.112 -1.709
156 HG3 PRO 22 HG1 PRO 22 10.779 -11.170 -2.934
157 HD2 PRO 22 HD2 PRO 22 10.673 -8.483 -3.244
158 HD3 PRO 22 HD1 PRO 22 10.511 -9.629 -4.607
159 H VAL 23 HN VAL 23 5.851 -10.705 -5.169
160 HA VAL 23 HA VAL 23 3.830 -9.248 -3.902
161 HB VAL 23 HB VAL 23 3.684 -11.871 -5.447
162 HG11 VAL 23 HG11 VAL 23 1.437 -9.970 -4.800
163 HG12 VAL 23 HG12 VAL 23 1.646 -11.588 -4.139
164 HG13 VAL 23 HG13 VAL 23 1.327 -11.374 -5.863
165 HG21 VAL 23 HG21 VAL 23 3.015 -10.463 -7.340
166 HG22 VAL 23 HG22 VAL 23 4.625 -10.063 -6.748
167 HG23 VAL 23 HG23 VAL 23 3.255 -9.028 -6.346
168 H GLU 24 HN GLU 24 5.426 -12.152 -3.062
169 HA GLU 24 HA GLU 24 3.371 -12.810 -1.244
170 HB2 GLU 24 HB2 GLU 24 5.795 -14.407 -2.017
171 HB3 GLU 24 HB1 GLU 24 4.581 -14.969 -0.869
172 HG2 GLU 24 HG2 GLU 24 2.883 -14.845 -2.532
173 HG3 GLU 24 HG1 GLU 24 4.023 -14.178 -3.704
174 H ASP 25 HN ASP 25 6.173 -11.072 -1.186
175 HA ASP 25 HA ASP 25 6.936 -11.695 1.557
176 HB2 ASP 25 HB2 ASP 25 8.626 -10.984 -0.202
177 HB3 ASP 25 HB1 ASP 25 7.873 -9.397 -0.183
178 H VAL 26 HN VAL 26 5.068 -9.577 -0.314
179 HA VAL 26 HA VAL 26 4.421 -7.655 1.682
180 HB VAL 26 HB VAL 26 3.130 -8.355 -0.985
181 HG11 VAL 26 HG11 VAL 26 1.467 -7.411 0.516
182 HG12 VAL 26 HG12 VAL 26 1.883 -6.299 -0.788
183 HG13 VAL 26 HG13 VAL 26 2.526 -6.028 0.845
184 HG21 VAL 26 HG21 VAL 26 4.141 -6.263 -1.717
185 HG22 VAL 26 HG22 VAL 26 5.372 -7.367 -1.088
186 HG23 VAL 26 HG23 VAL 26 4.799 -6.021 -0.101
187 H LYS 27 HN LYS 27 3.952 -8.954 3.356
188 HA LYS 27 HA LYS 27 1.460 -10.533 3.436
189 HB2 LYS 27 HB2 LYS 27 3.605 -10.026 5.529
190 HB3 LYS 27 HB1 LYS 27 2.332 -11.249 5.610
191 HG2 LYS 27 HG2 LYS 27 3.273 -12.468 3.790
192 HG3 LYS 27 HG1 LYS 27 4.421 -11.182 3.453
193 HD2 LYS 27 HD2 LYS 27 5.419 -11.621 5.715
194 HD3 LYS 27 HD1 LYS 27 4.369 -13.043 5.817
195 HE2 LYS 27 HE2 LYS 27 5.334 -13.950 3.802
196 HE3 LYS 27 HE1 LYS 27 6.312 -12.510 3.582
197 HZ1 LYS 27 HZ1 LYS 27 6.614 -14.583 5.710
198 HZ2 LYS 27 HZ2 LYS 27 7.351 -13.085 5.808
199 HZ3 LYS 27 HZ3 LYS 27 7.735 -14.121 4.539
200 H LEU 28 HN LEU 28 1.228 -9.706 6.371
201 HA LEU 28 HA LEU 28 -0.080 -7.146 5.677
202 HB2 LEU 28 HB2 LEU 28 -1.514 -9.219 6.132
203 HB3 LEU 28 HB1 LEU 28 -1.027 -9.047 7.803
204 HG LEU 28 HG LEU 28 -2.286 -6.760 6.395
205 HD11 LEU 28 HD11 LEU 28 -4.490 -7.594 7.098
206 HD12 LEU 28 HD12 LEU 28 -3.722 -9.093 7.658
207 HD13 LEU 28 HD13 LEU 28 -3.701 -8.669 5.937
208 HD21 LEU 28 HD21 LEU 28 -3.169 -6.270 8.649
209 HD22 LEU 28 HD22 LEU 28 -1.409 -6.402 8.655
210 HD23 LEU 28 HD23 LEU 28 -2.396 -7.733 9.260
211 H ASP 29 HN ASP 29 2.137 -8.599 7.712
212 HA ASP 29 HA ASP 29 2.117 -6.525 9.781
213 HB2 ASP 29 HB2 ASP 29 2.634 -8.768 10.482
214 HB3 ASP 29 HB1 ASP 29 3.869 -8.939 9.248
215 H LYS 30 HN LYS 30 3.097 -6.772 6.784
216 HA LYS 30 HA LYS 30 5.807 -5.872 6.879
217 HB2 LYS 30 HB2 LYS 30 3.893 -6.506 4.706
218 HB3 LYS 30 HB1 LYS 30 5.435 -5.730 4.366
219 HG2 LYS 30 HG2 LYS 30 5.259 -8.260 5.956
220 HG3 LYS 30 HG1 LYS 30 5.325 -8.256 4.188
221 HD2 LYS 30 HD2 LYS 30 7.409 -6.891 4.327
222 HD3 LYS 30 HD1 LYS 30 7.333 -7.046 6.069
223 HE2 LYS 30 HE2 LYS 30 7.297 -9.504 4.390
224 HE3 LYS 30 HE1 LYS 30 8.817 -8.662 4.684
225 HZ1 LYS 30 HZ1 LYS 30 7.012 -9.615 6.875
226 HZ2 LYS 30 HZ2 LYS 30 8.525 -8.895 6.978
227 HZ3 LYS 30 HZ3 LYS 30 8.384 -10.424 6.279
228 H SER 31 HN SER 31 5.942 -3.810 7.746
229 HA SER 31 HA SER 31 4.532 -1.654 6.676
230 HB2 SER 31 HB2 SER 31 7.259 -1.728 7.950
231 HB3 SER 31 HB1 SER 31 6.074 -0.413 7.950
232 HG SER 31 HG SER 31 6.310 -2.588 9.558
233 H PHE 32 HN PHE 32 4.731 -1.354 4.522
234 HA PHE 32 HA PHE 32 6.358 -1.956 2.562
235 HB2 PHE 32 HB2 PHE 32 5.388 0.809 3.110
236 HB3 PHE 32 HB1 PHE 32 6.096 0.347 1.580
237 HD1 PHE 32 HD1 PHE 32 4.888 -1.444 0.247
238 HD2 PHE 32 HD2 PHE 32 3.200 0.460 3.621
239 HE1 PHE 32 HE1 PHE 32 2.658 -2.193 -0.468
240 HE2 PHE 32 HE2 PHE 32 0.950 -0.279 2.909
241 HZ PHE 32 HZ PHE 32 0.671 -1.494 0.800
242 H THR 33 HN THR 33 7.189 1.317 3.723
243 HA THR 33 HA THR 33 9.875 0.893 2.983
244 HB THR 33 HB THR 33 9.769 3.299 4.220
245 HG1 THR 33 HG1 THR 33 7.510 4.046 3.513
246 HG21 THR 33 HG21 THR 33 10.572 2.772 1.973
247 HG22 THR 33 HG22 THR 33 9.437 4.119 1.887
248 HG23 THR 33 HG23 THR 33 8.938 2.493 1.421
249 H ASP 34 HN ASP 34 9.491 -0.918 4.897
250 HA ASP 34 HA ASP 34 11.481 -0.158 6.839
251 HB2 ASP 34 HB2 ASP 34 9.546 0.638 8.011
252 HB3 ASP 34 HB1 ASP 34 8.693 -0.873 7.723
253 H ASP 35 HN ASP 35 8.966 -2.615 6.400
254 HA ASP 35 HA ASP 35 10.910 -4.690 7.117
255 HB2 ASP 35 HB2 ASP 35 8.378 -4.405 7.936
256 HB3 ASP 35 HB1 ASP 35 8.079 -5.348 6.476
257 H LEU 36 HN LEU 36 8.890 -3.615 4.463
258 HA LEU 36 HA LEU 36 9.575 -5.835 2.738
259 HB2 LEU 36 HB2 LEU 36 8.207 -3.200 2.188
260 HB3 LEU 36 HB1 LEU 36 8.508 -4.398 0.950
261 HG LEU 36 HG LEU 36 6.790 -4.881 3.388
262 HD11 LEU 36 HD11 LEU 36 5.802 -3.181 1.912
263 HD12 LEU 36 HD12 LEU 36 4.911 -4.700 1.834
264 HD13 LEU 36 HD13 LEU 36 6.018 -4.262 0.533
265 HD21 LEU 36 HD21 LEU 36 6.068 -6.834 2.146
266 HD22 LEU 36 HD22 LEU 36 7.815 -6.869 2.409
267 HD23 LEU 36 HD23 LEU 36 7.169 -6.419 0.834
268 H ASP 37 HN ASP 37 10.463 -2.473 3.104
269 HA ASP 37 HA ASP 37 12.163 -1.225 2.493
270 HB2 ASP 37 HB2 ASP 37 13.864 -2.811 3.081
271 HB3 ASP 37 HB1 ASP 37 13.503 -3.823 1.689
272 H VAL 38 HN VAL 38 10.929 -0.155 1.254
273 HA VAL 38 HA VAL 38 10.730 -0.880 -1.552
274 HB VAL 38 HB VAL 38 9.308 1.296 0.063
275 HG11 VAL 38 HG11 VAL 38 8.797 0.461 -2.799
276 HG12 VAL 38 HG12 VAL 38 9.514 1.989 -2.284
277 HG13 VAL 38 HG13 VAL 38 7.844 1.616 -1.863
278 HG21 VAL 38 HG21 VAL 38 8.293 -1.322 -1.029
279 HG22 VAL 38 HG22 VAL 38 7.321 -0.102 -0.205
280 HG23 VAL 38 HG23 VAL 38 8.605 -0.945 0.666
281 H ASP 39 HN ASP 39 10.721 2.418 -0.401
282 HA ASP 39 HA ASP 39 13.262 3.341 -0.679
283 HB2 ASP 39 HB2 ASP 39 12.768 2.555 -3.220
284 HB3 ASP 39 HB1 ASP 39 11.663 3.943 -3.087
285 H SER 40 HN SER 40 12.822 5.767 -1.384
286 HA SER 40 HA SER 40 10.557 6.478 0.329
287 HB2 SER 40 HB2 SER 40 12.815 7.363 0.910
288 HB3 SER 40 HB1 SER 40 12.824 8.247 -0.620
289 H LEU 41 HN LEU 41 11.874 6.917 -2.840
290 HA LEU 41 HA LEU 41 9.838 8.847 -3.586
291 HB2 LEU 41 HB2 LEU 41 11.970 7.497 -5.239
292 HB3 LEU 41 HB1 LEU 41 10.876 8.725 -5.841
293 HG LEU 41 HG LEU 41 12.971 9.112 -3.706
294 HD11 LEU 41 HD11 LEU 41 12.815 10.086 -6.550
295 HD12 LEU 41 HD12 LEU 41 13.906 8.847 -5.928
296 HD13 LEU 41 HD13 LEU 41 14.062 10.515 -5.379
297 HD21 LEU 41 HD21 LEU 41 12.388 11.486 -3.854
298 HD22 LEU 41 HD22 LEU 41 11.014 10.525 -3.309
299 HD23 LEU 41 HD23 LEU 41 11.084 11.101 -4.975
300 H SER 42 HN SER 42 10.596 5.496 -3.989
301 HA SER 42 HA SER 42 8.646 4.901 -5.939
302 HB2 SER 42 HB2 SER 42 9.917 3.078 -3.901
303 HB3 SER 42 HB1 SER 42 9.196 2.605 -5.439
304 HG SER 42 HG SER 42 11.415 2.705 -5.596
305 H MET 43 HN MET 43 8.642 5.361 -2.543
306 HA MET 43 HA MET 43 6.423 3.854 -1.759
307 HB2 MET 43 HB2 MET 43 7.966 4.840 -0.171
308 HB3 MET 43 HB1 MET 43 7.457 6.448 -0.662
309 HG2 MET 43 HG2 MET 43 6.452 5.578 1.453
310 HG3 MET 43 HG1 MET 43 5.323 6.179 0.227
311 HE1 MET 43 HE1 MET 43 7.254 2.934 -0.150
312 HE2 MET 43 HE2 MET 43 6.209 1.695 0.542
313 HE3 MET 43 HE3 MET 43 7.014 2.877 1.596
314 H VAL 44 HN VAL 44 6.721 7.212 -2.811
315 HA VAL 44 HA VAL 44 3.994 7.769 -2.505
316 HB VAL 44 HB VAL 44 6.097 9.236 -4.116
317 HG11 VAL 44 HG11 VAL 44 4.613 11.174 -3.941
318 HG12 VAL 44 HG12 VAL 44 3.400 10.175 -3.141
319 HG13 VAL 44 HG13 VAL 44 3.843 9.850 -4.818
320 HG21 VAL 44 HG21 VAL 44 5.125 9.667 -1.284
321 HG22 VAL 44 HG22 VAL 44 6.258 10.708 -2.140
322 HG23 VAL 44 HG23 VAL 44 6.699 9.047 -1.759
323 H GLU 45 HN GLU 45 5.840 6.242 -5.049
324 HA GLU 45 HA GLU 45 3.932 6.748 -7.075
325 HB2 GLU 45 HB2 GLU 45 6.054 4.599 -6.901
326 HB3 GLU 45 HB1 GLU 45 5.204 5.107 -8.355
327 HG2 GLU 45 HG2 GLU 45 6.199 7.341 -8.139
328 HG3 GLU 45 HG1 GLU 45 7.084 6.790 -6.720
329 H VAL 46 HN VAL 46 4.574 4.237 -4.707
330 HA VAL 46 HA VAL 46 2.576 2.392 -5.460
331 HB VAL 46 HB VAL 46 3.612 3.030 -2.660
332 HG11 VAL 46 HG11 VAL 46 2.835 0.780 -2.048
333 HG12 VAL 46 HG12 VAL 46 2.139 0.586 -3.657
334 HG13 VAL 46 HG13 VAL 46 1.500 1.813 -2.561
335 HG21 VAL 46 HG21 VAL 46 4.483 0.903 -4.620
336 HG22 VAL 46 HG22 VAL 46 5.075 1.081 -2.971
337 HG23 VAL 46 HG23 VAL 46 5.402 2.338 -4.166
338 H VAL 47 HN VAL 47 2.539 5.133 -3.226
339 HA VAL 47 HA VAL 47 -0.095 5.112 -2.344
340 HB VAL 47 HB VAL 47 1.659 7.502 -3.022
341 HG11 VAL 47 HG11 VAL 47 0.297 8.777 -1.439
342 HG12 VAL 47 HG12 VAL 47 -0.761 7.383 -1.227
343 HG13 VAL 47 HG13 VAL 47 -0.673 8.191 -2.792
344 HG21 VAL 47 HG21 VAL 47 1.253 6.027 -0.434
345 HG22 VAL 47 HG22 VAL 47 2.217 7.491 -0.645
346 HG23 VAL 47 HG23 VAL 47 2.697 5.994 -1.448
347 H VAL 48 HN VAL 48 1.065 7.270 -4.915
348 HA VAL 48 HA VAL 48 -1.225 8.012 -6.196
349 HB VAL 48 HB VAL 48 1.367 7.236 -7.584
350 HG11 VAL 48 HG11 VAL 48 -0.451 7.408 -9.202
351 HG12 VAL 48 HG12 VAL 48 0.665 8.763 -9.376
352 HG13 VAL 48 HG13 VAL 48 -0.883 8.995 -8.566
353 HG21 VAL 48 HG21 VAL 48 1.678 8.921 -5.849
354 HG22 VAL 48 HG22 VAL 48 0.397 9.904 -6.560
355 HG23 VAL 48 HG23 VAL 48 1.894 9.624 -7.451
356 H ALA 49 HN ALA 49 0.563 5.008 -7.042
357 HA ALA 49 HA ALA 49 -1.259 4.189 -9.036
358 HB1 ALA 49 HB1 ALA 49 0.670 2.467 -7.487
359 HB2 ALA 49 HB2 ALA 49 1.060 3.387 -8.941
360 HB3 ALA 49 HB3 ALA 49 -0.094 2.058 -9.022
361 H ALA 50 HN ALA 50 -1.166 3.572 -5.574
362 HA ALA 50 HA ALA 50 -3.029 1.473 -5.533
363 HB1 ALA 50 HB1 ALA 50 -1.597 2.013 -3.618
364 HB2 ALA 50 HB2 ALA 50 -3.302 1.989 -3.159
365 HB3 ALA 50 HB3 ALA 50 -2.469 3.527 -3.391
366 H GLU 51 HN GLU 51 -3.364 4.942 -5.525
367 HA GLU 51 HA GLU 51 -6.086 5.171 -4.920
368 HB2 GLU 51 HB2 GLU 51 -4.471 6.914 -6.770
369 HB3 GLU 51 HB1 GLU 51 -5.938 7.347 -5.907
370 HG2 GLU 51 HG2 GLU 51 -4.739 7.045 -3.786
371 HG3 GLU 51 HG1 GLU 51 -3.266 6.738 -4.694
372 H GLU 52 HN GLU 52 -4.379 4.417 -7.785
373 HA GLU 52 HA GLU 52 -6.605 4.681 -9.592
374 HB2 GLU 52 HB2 GLU 52 -4.241 5.141 -10.201
375 HB3 GLU 52 HB1 GLU 52 -3.878 3.440 -9.952
376 HG2 GLU 52 HG2 GLU 52 -4.101 3.895 -12.283
377 HG3 GLU 52 HG1 GLU 52 -5.434 2.875 -11.737
378 H ARG 53 HN ARG 53 -4.701 2.091 -8.126
379 HA ARG 53 HA ARG 53 -5.921 -0.070 -9.515
380 HB2 ARG 53 HB2 ARG 53 -3.635 -0.167 -8.742
381 HB3 ARG 53 HB1 ARG 53 -4.153 0.093 -7.103
382 HG2 ARG 53 HG2 ARG 53 -3.526 -2.234 -7.469
383 HG3 ARG 53 HG1 ARG 53 -5.220 -2.079 -7.017
384 HD2 ARG 53 HD2 ARG 53 -5.848 -2.333 -9.389
385 HD3 ARG 53 HD1 ARG 53 -4.122 -2.489 -9.779
386 HE ARG 53 HE ARG 53 -4.078 -4.582 -8.915
387 HH11 ARG 53 HH11 ARG 53 -7.314 -3.203 -8.262
388 HH12 ARG 53 HH12 ARG 53 -7.982 -4.690 -7.766
389 HH21 ARG 53 HH21 ARG 53 -4.987 -6.582 -8.181
390 HH22 ARG 53 HH22 ARG 53 -6.614 -6.695 -7.709
391 H PHE 54 HN PHE 54 -6.428 1.436 -6.407
392 HA PHE 54 HA PHE 54 -8.348 -0.629 -5.670
393 HB2 PHE 54 HB2 PHE 54 -7.056 1.594 -4.120
394 HB3 PHE 54 HB1 PHE 54 -8.293 0.535 -3.468
395 HD1 PHE 54 HD2 PHE 54 -4.850 0.707 -4.734
396 HD2 PHE 54 HD1 PHE 54 -7.742 -1.660 -2.737
397 HE1 PHE 54 HE2 PHE 54 -3.094 -0.860 -4.057
398 HE2 PHE 54 HE1 PHE 54 -5.962 -3.217 -2.043
399 HZ PHE 54 HZ PHE 54 -3.663 -2.818 -2.726
400 H ASP 55 HN ASP 55 -8.334 2.214 -7.284
401 HA ASP 55 HA ASP 55 -9.906 3.634 -8.028
402 HB2 ASP 55 HB2 ASP 55 -11.332 1.660 -8.303
403 HB3 ASP 55 HB1 ASP 55 -11.849 1.765 -6.629
404 H VAL 56 HN VAL 56 -9.153 3.403 -4.868
405 HA VAL 56 HA VAL 56 -10.853 5.642 -4.073
406 HB VAL 56 HB VAL 56 -11.093 3.684 -2.640
407 HG11 VAL 56 HG11 VAL 56 -8.959 2.622 -2.879
408 HG12 VAL 56 HG12 VAL 56 -9.328 2.883 -1.177
409 HG13 VAL 56 HG13 VAL 56 -8.174 3.937 -1.999
410 HG21 VAL 56 HG21 VAL 56 -11.456 5.793 -1.635
411 HG22 VAL 56 HG22 VAL 56 -9.734 5.996 -1.278
412 HG23 VAL 56 HG23 VAL 56 -10.675 4.738 -0.462
413 H LYS 57 HN LYS 57 -10.010 7.510 -3.807
414 HA LYS 57 HA LYS 57 -7.236 8.027 -4.310
415 HB2 LYS 57 HB2 LYS 57 -9.456 9.848 -3.354
416 HB3 LYS 57 HB1 LYS 57 -7.828 10.405 -3.711
417 HG2 LYS 57 HG2 LYS 57 -9.621 9.042 -5.706
418 HG3 LYS 57 HG1 LYS 57 -9.488 10.788 -5.525
419 HD2 LYS 57 HD2 LYS 57 -7.079 9.057 -6.072
420 HD3 LYS 57 HD1 LYS 57 -8.101 9.648 -7.374
421 HE2 LYS 57 HE2 LYS 57 -6.185 11.132 -7.135
422 HE3 LYS 57 HE1 LYS 57 -7.637 11.982 -6.624
423 HZ1 LYS 57 HZ1 LYS 57 -5.713 12.370 -5.215
424 HZ2 LYS 57 HZ2 LYS 57 -5.651 10.744 -4.784
425 HZ3 LYS 57 HZ3 LYS 57 -6.963 11.710 -4.332
426 H ILE 58 HN ILE 58 -5.622 8.043 -2.931
427 HA ILE 58 HA ILE 58 -6.124 8.337 -0.062
428 HB ILE 58 HB ILE 58 -4.161 6.345 -1.247
429 HG12 ILE 58 HG12 ILE 58 -6.839 5.749 0.046
430 HG13 ILE 58 HG11 ILE 58 -6.501 5.620 -1.673
431 HG21 ILE 58 HG21 ILE 58 -5.105 6.822 1.591
432 HG22 ILE 58 HG22 ILE 58 -3.509 7.200 0.939
433 HG23 ILE 58 HG23 ILE 58 -4.025 5.526 1.086
434 HD11 ILE 58 HD11 ILE 58 -5.197 4.007 0.502
435 HD12 ILE 58 HD12 ILE 58 -4.868 3.865 -1.227
436 HD13 ILE 58 HD13 ILE 58 -6.462 3.451 -0.591
437 HA PRO 59 HA PRO 59 -2.832 11.035 -1.456
438 HB2 PRO 59 HB2 PRO 59 -3.184 13.005 0.322
439 HB3 PRO 59 HB1 PRO 59 -4.291 12.761 -1.045
440 HG2 PRO 59 HG2 PRO 59 -4.639 12.028 1.829
441 HG3 PRO 59 HG1 PRO 59 -5.826 12.676 0.683
442 HD2 PRO 59 HD2 PRO 59 -5.549 9.996 1.364
443 HD3 PRO 59 HD1 PRO 59 -6.352 10.604 -0.097
444 H ASP 60 HN ASP 60 -0.794 11.509 -0.714
445 HA ASP 60 HA ASP 60 0.791 10.118 0.898
446 HB2 ASP 60 HB2 ASP 60 0.825 13.147 0.805
447 HB3 ASP 60 HB1 ASP 60 2.136 12.155 1.402
448 H ASP 61 HN ASP 61 -1.136 12.837 2.091
449 HA ASP 61 HA ASP 61 -0.370 12.979 4.740
450 HB2 ASP 61 HB2 ASP 61 -1.862 14.620 3.782
451 HB3 ASP 61 HB1 ASP 61 -3.135 13.420 3.618
452 H ASP 62 HN ASP 62 -3.077 10.986 3.546
453 HA ASP 62 HA ASP 62 -3.491 9.823 6.174
454 HB2 ASP 62 HB2 ASP 62 -4.623 9.088 3.483
455 HB3 ASP 62 HB1 ASP 62 -5.036 8.241 4.963
456 H VAL 63 HN VAL 63 -1.898 8.962 3.285
457 HA VAL 63 HA VAL 63 -1.324 6.306 3.806
458 HB VAL 63 HB VAL 63 -0.179 8.455 2.113
459 HG11 VAL 63 HG11 VAL 63 1.311 5.860 2.583
460 HG12 VAL 63 HG12 VAL 63 1.882 7.460 3.048
461 HG13 VAL 63 HG13 VAL 63 1.686 7.057 1.342
462 HG21 VAL 63 HG21 VAL 63 -0.506 6.773 0.388
463 HG22 VAL 63 HG22 VAL 63 -1.961 7.054 1.351
464 HG23 VAL 63 HG23 VAL 63 -0.982 5.614 1.626
465 H LYS 64 HN LYS 64 0.092 9.180 5.107
466 HA LYS 64 HA LYS 64 2.363 8.018 6.264
467 HB2 LYS 64 HB2 LYS 64 0.892 10.505 7.078
468 HB3 LYS 64 HB1 LYS 64 2.509 10.065 7.612
469 HG2 LYS 64 HG2 LYS 64 3.317 10.191 5.330
470 HG3 LYS 64 HG1 LYS 64 1.664 10.536 4.788
471 HD2 LYS 64 HD2 LYS 64 1.661 12.586 6.102
472 HD3 LYS 64 HD1 LYS 64 3.306 12.245 6.641
473 HE2 LYS 64 HE2 LYS 64 4.079 12.340 4.322
474 HE3 LYS 64 HE1 LYS 64 2.434 12.692 3.797
475 HZ1 LYS 64 HZ1 LYS 64 3.966 14.381 5.683
476 HZ2 LYS 64 HZ2 LYS 64 2.494 14.785 4.913
477 HZ3 LYS 64 HZ3 LYS 64 3.913 14.630 4.021
478 H ASN 65 HN ASN 65 -0.916 7.931 7.196
479 HA ASN 65 HA ASN 65 -0.285 7.343 9.996
480 HB2 ASN 65 HB2 ASN 65 -2.999 7.419 8.650
481 HB3 ASN 65 HB1 ASN 65 -2.683 7.358 10.376
482 HD21 ASN 65 HD21 ASN 65 -4.229 9.238 8.913
483 HD22 ASN 65 HD22 ASN 65 -3.524 10.795 9.126
484 H LEU 66 HN LEU 66 -0.412 5.814 7.115
485 HA LEU 66 HA LEU 66 -1.679 3.387 8.084
486 HB2 LEU 66 HB2 LEU 66 -0.469 3.912 5.366
487 HB3 LEU 66 HB1 LEU 66 -1.508 2.588 5.867
488 HG LEU 66 HG LEU 66 -2.337 5.488 5.659
489 HD11 LEU 66 HD11 LEU 66 -3.662 4.781 3.737
490 HD12 LEU 66 HD12 LEU 66 -2.945 3.171 3.841
491 HD13 LEU 66 HD13 LEU 66 -1.931 4.567 3.474
492 HD21 LEU 66 HD21 LEU 66 -3.618 4.298 7.365
493 HD22 LEU 66 HD22 LEU 66 -3.988 3.023 6.194
494 HD23 LEU 66 HD23 LEU 66 -4.619 4.640 5.950
495 H LYS 67 HN LYS 67 1.276 4.139 6.282
496 HA LYS 67 HA LYS 67 3.170 3.179 6.053
497 HB2 LYS 67 HB2 LYS 67 4.647 2.989 8.127
498 HB3 LYS 67 HB1 LYS 67 3.958 4.547 7.731
499 HG2 LYS 67 HG2 LYS 67 3.830 4.329 10.067
500 HG3 LYS 67 HG1 LYS 67 2.197 4.058 9.474
501 HD2 LYS 67 HD2 LYS 67 2.579 1.624 9.648
502 HD3 LYS 67 HD1 LYS 67 4.176 1.950 10.331
503 HE2 LYS 67 HE2 LYS 67 3.047 3.287 12.117
504 HE3 LYS 67 HE1 LYS 67 1.517 2.730 11.434
505 HZ1 LYS 67 HZ1 LYS 67 2.395 1.478 13.382
506 HZ2 LYS 67 HZ2 LYS 67 3.584 0.816 12.391
507 HZ3 LYS 67 HZ3 LYS 67 1.932 0.541 12.086
508 H THR 68 HN THR 68 0.987 1.007 7.048
509 HA THR 68 HA THR 68 2.928 -1.069 6.323
510 HB THR 68 HB THR 68 1.620 -2.738 7.512
511 HG1 THR 68 HG1 THR 68 0.138 -1.002 9.078
512 HG21 THR 68 HG21 THR 68 2.427 -0.478 9.319
513 HG22 THR 68 HG22 THR 68 3.454 -1.779 8.673
514 HG23 THR 68 HG23 THR 68 2.149 -2.166 9.799
515 H VAL 69 HN VAL 69 1.862 -2.925 5.417
516 HA VAL 69 HA VAL 69 0.098 -2.390 3.314
517 HB VAL 69 HB VAL 69 -0.152 -4.989 3.454
518 HG11 VAL 69 HG11 VAL 69 1.315 -3.787 1.828
519 HG12 VAL 69 HG12 VAL 69 2.086 -5.262 2.412
520 HG13 VAL 69 HG13 VAL 69 2.571 -3.695 3.062
521 HG21 VAL 69 HG21 VAL 69 2.144 -4.510 5.307
522 HG22 VAL 69 HG22 VAL 69 1.637 -6.068 4.655
523 HG23 VAL 69 HG23 VAL 69 0.568 -5.173 5.733
524 H GLY 70 HN GLY 70 -0.398 -3.922 6.498
525 HA2 GLY 70 HA2 GLY 70 -3.106 -4.537 6.195
526 HA3 GLY 70 HA1 GLY 70 -2.255 -4.360 7.723
527 H ASP 71 HN ASP 71 -1.515 -1.698 7.580
528 HA ASP 71 HA ASP 71 -3.951 -0.457 8.294
529 HB2 ASP 71 HB2 ASP 71 -1.177 0.626 7.954
530 HB3 ASP 71 HB1 ASP 71 -2.536 1.676 8.305
531 H ALA 72 HN ALA 72 -1.910 -0.254 5.402
532 HA ALA 72 HA ALA 72 -3.324 1.748 4.076
533 HB1 ALA 72 HB1 ALA 72 -1.217 0.810 3.206
534 HB2 ALA 72 HB2 ALA 72 -2.492 0.734 1.990
535 HB3 ALA 72 HB3 ALA 72 -2.036 -0.718 2.880
536 H THR 73 HN THR 73 -3.722 -1.774 3.781
537 HA THR 73 HA THR 73 -6.037 -2.066 2.515
538 HB THR 73 HB THR 73 -5.032 -3.497 4.958
539 HG1 THR 73 HG1 THR 73 -3.495 -3.728 3.477
540 HG21 THR 73 HG21 THR 73 -6.934 -4.374 2.796
541 HG22 THR 73 HG22 THR 73 -7.369 -4.022 4.460
542 HG23 THR 73 HG23 THR 73 -6.322 -5.405 4.097
543 H LYS 74 HN LYS 74 -5.735 -1.469 6.053
544 HA LYS 74 HA LYS 74 -8.485 -1.593 6.592
545 HB2 LYS 74 HB2 LYS 74 -6.749 -1.784 8.335
546 HB3 LYS 74 HB1 LYS 74 -6.350 -0.089 8.123
547 HG2 LYS 74 HG2 LYS 74 -7.726 -0.448 10.106
548 HG3 LYS 74 HG1 LYS 74 -8.565 0.550 8.916
549 HD2 LYS 74 HD2 LYS 74 -10.106 -1.075 9.850
550 HD3 LYS 74 HD1 LYS 74 -9.800 -1.447 8.152
551 HE2 LYS 74 HE2 LYS 74 -8.173 -3.163 8.850
552 HE3 LYS 74 HE1 LYS 74 -8.535 -2.802 10.536
553 HZ1 LYS 74 HZ1 LYS 74 -10.860 -3.447 10.086
554 HZ2 LYS 74 HZ2 LYS 74 -9.776 -4.720 9.813
555 HZ3 LYS 74 HZ3 LYS 74 -10.421 -3.892 8.516
556 H TYR 75 HN TYR 75 -6.531 1.026 5.395
557 HA TYR 75 HA TYR 75 -8.556 3.045 5.799
558 HB2 TYR 75 HB2 TYR 75 -6.143 3.657 5.588
559 HB3 TYR 75 HB1 TYR 75 -6.161 3.065 3.933
560 HD1 TYR 75 HD2 TYR 75 -7.328 4.324 2.181
561 HD2 TYR 75 HD1 TYR 75 -7.135 5.863 6.158
562 HE1 TYR 75 HE2 TYR 75 -8.016 6.535 1.368
563 HE2 TYR 75 HE1 TYR 75 -7.832 8.056 5.343
564 HH TYR 75 HH TYR 75 -9.134 8.573 2.276
565 H ILE 76 HN ILE 76 -7.314 1.048 3.214
566 HA ILE 76 HA ILE 76 -8.926 2.055 1.226
567 HB ILE 76 HB ILE 76 -7.655 -0.688 1.443
568 HG12 ILE 76 HG12 ILE 76 -6.779 1.810 -0.022
569 HG13 ILE 76 HG11 ILE 76 -6.165 1.307 1.544
570 HG21 ILE 76 HG21 ILE 76 -7.923 -0.797 -1.004
571 HG22 ILE 76 HG22 ILE 76 -8.778 0.743 -0.985
572 HG23 ILE 76 HG23 ILE 76 -9.494 -0.673 -0.212
573 HD11 ILE 76 HD11 ILE 76 -5.257 -0.710 0.524
574 HD12 ILE 76 HD12 ILE 76 -4.622 0.753 -0.228
575 HD13 ILE 76 HD13 ILE 76 -5.871 -0.190 -1.043
576 H LEU 77 HN LEU 77 -9.365 -0.795 3.293
577 HA LEU 77 HA LEU 77 -11.840 -1.715 2.308
578 HB2 LEU 77 HB2 LEU 77 -10.389 -2.938 3.885
579 HB3 LEU 77 HB1 LEU 77 -10.811 -1.803 5.142
580 HG LEU 77 HG LEU 77 -11.879 -4.099 5.144
581 HD11 LEU 77 HD11 LEU 77 -14.058 -3.296 5.981
582 HD12 LEU 77 HD12 LEU 77 -13.707 -1.703 5.303
583 HD13 LEU 77 HD13 LEU 77 -12.710 -2.343 6.607
584 HD21 LEU 77 HD21 LEU 77 -12.498 -4.277 2.829
585 HD22 LEU 77 HD22 LEU 77 -13.557 -2.875 2.972
586 HD23 LEU 77 HD23 LEU 77 -13.950 -4.366 3.830
587 H ASP 78 HN ASP 78 -11.126 0.757 4.626
588 HA ASP 78 HA ASP 78 -13.894 1.121 5.378
589 HB2 ASP 78 HB2 ASP 78 -12.266 1.417 7.098
590 HB3 ASP 78 HB1 ASP 78 -11.375 2.584 6.135
591 H HIS 79 HN HIS 79 -11.560 2.826 3.383
592 HA HIS 79 HA HIS 79 -13.469 4.996 3.008
593 HB2 HIS 79 HB2 HIS 79 -10.669 4.859 3.287
594 HB3 HIS 79 HB1 HIS 79 -11.022 5.541 1.708
595 HD1 HIS 79 HD1 HIS 79 -11.202 8.013 1.782
596 HD2 HIS 79 HD2 HIS 79 -12.304 6.261 5.379
597 HE1 HIS 79 HE1 HIS 79 -11.695 9.901 3.318
598 HE2 HIS 79 HE2 HIS 79 -11.776 8.752 5.535
599 H GLN 80 HN GLN 80 -12.793 2.158 1.247
600 HA GLN 80 HA GLN 80 -12.535 3.520 -1.277
601 HB2 GLN 80 HB2 GLN 80 -12.437 1.363 -2.304
602 HB3 GLN 80 HB1 GLN 80 -11.423 1.350 -0.870
603 HG2 GLN 80 HG2 GLN 80 -13.222 0.206 0.360
604 HG3 GLN 80 HG1 GLN 80 -14.176 0.162 -1.125
605 HE21 GLN 80 HE21 GLN 80 -11.483 -1.063 0.545
606 HE22 GLN 80 HE22 GLN 80 -11.134 -2.389 -0.519
607 H ALA 81 HN ALA 81 -13.956 2.315 -3.038
608 HA ALA 81 HA ALA 81 -16.627 3.054 -2.331
609 HB1 ALA 81 HB1 ALA 81 -15.347 2.590 -5.021
610 HB2 ALA 81 HB2 ALA 81 -15.723 4.150 -4.288
611 HB3 ALA 81 HB3 ALA 81 -17.025 3.069 -4.775
612 H2 SHW 101 H2A SHW 101 3.019 5.657 4.135
613 H2A SHW 101 H2B SHW 101 3.821 5.318 2.594
614 H3 SHW 101 H3A SHW 101 3.560 3.461 5.002
615 HO3 SHW 101 HO3 SHW 101 4.686 3.139 2.438
616 H4 SHW 101 H4A SHW 101 1.394 3.875 3.917
617 H4A SHW 101 H4B SHW 101 1.927 2.218 3.700
618 H5 SHW 101 H5A SHW 101 2.619 2.707 1.424
619 H5A SHW 101 H5B SHW 101 2.121 4.390 1.625
620 H6 SHW 101 H6A SHW 101 -0.176 3.664 2.032
621 H6A SHW 101 H6B SHW 101 0.314 1.982 1.834
622 H7 SHW 101 H7A SHW 101 0.952 2.423 -0.483
623 H7A SHW 101 H7B SHW 101 0.500 4.128 -0.285
624 H8 SHW 101 H8C SHW 101 -1.333 1.744 0.010
625 H8A SHW 101 H8A SHW 101 -1.276 2.835 -1.375
626 H8B SHW 101 H8B SHW 101 -1.798 3.434 0.201
627 H28 SHW 101 H28A SHW 101 10.480 12.051 -0.379
628 H28A SHW 101 H28B SHW 101 9.647 10.564 0.071
629 H30 SHW 101 H30A SHW 101 9.781 14.173 0.458
630 H30A SHW 101 H30B SHW 101 10.179 13.614 2.082
631 H30B SHW 101 H30C SHW 101 8.593 14.312 1.754
632 H31 SHW 101 H31A SHW 101 7.420 11.479 -0.344
633 H31A SHW 101 H31B SHW 101 8.172 12.964 -0.928
634 H31B SHW 101 H31C SHW 101 6.942 13.035 0.334
635 H32 SHW 101 H32A SHW 101 8.980 11.609 3.093
636 HO33 SHW 101 H33A SHW 101 6.381 11.817 2.452
637 HN36 SHW 101 H36A SHW 101 9.554 9.624 1.931
638 H37 SHW 101 H37A SHW 101 7.272 7.718 1.848
639 H37A SHW 101 H37B SHW 101 8.541 7.679 0.638
640 H38 SHW 101 H38A SHW 101 8.925 5.942 2.219
641 H38A SHW 101 H38B SHW 101 10.209 7.149 2.420
642 HN41 SHW 101 H41A SHW 101 7.210 8.099 3.584
643 H42 SHW 101 H42A SHW 101 7.536 7.165 6.349
644 H42A SHW 101 H42B SHW 101 7.481 8.857 5.935
645 H43 SHW 101 H43A SHW 101 5.284 8.458 4.736
646 H43A SHW 101 H43B SHW 101 5.372 8.573 6.480
Start of MODEL 15
1 H1 ALA 1 HT1 ALA 1 -16.570 -2.266 -0.625
2 H2 ALA 1 HT2 ALA 1 -17.523 -1.851 0.687
3 H3 ALA 1 HT3 ALA 1 -17.743 -3.337 -0.108
4 HA ALA 1 HA ALA 1 -15.356 -2.529 1.456
5 HB1 ALA 1 HB1 ALA 1 -15.974 -4.414 2.903
6 HB2 ALA 1 HB2 ALA 1 -17.414 -4.692 1.925
7 HB3 ALA 1 HB3 ALA 1 -17.255 -3.202 2.856
8 H ALA 2 HN ALA 2 -13.483 -3.487 0.692
9 HA ALA 2 HA ALA 2 -13.867 -5.532 -1.347
10 HB1 ALA 2 HB1 ALA 2 -12.399 -3.636 -1.869
11 HB2 ALA 2 HB2 ALA 2 -11.501 -5.154 -1.853
12 HB3 ALA 2 HB3 ALA 2 -11.382 -4.044 -0.486
13 H THR 3 HN THR 3 -12.311 -7.446 -1.265
14 HA THR 3 HA THR 3 -12.273 -8.581 1.320
15 HB THR 3 HB THR 3 -10.724 -10.130 -0.294
16 HG1 THR 3 HG1 THR 3 -11.395 -9.885 -2.422
17 HG21 THR 3 HG21 THR 3 -12.783 -11.374 -0.833
18 HG22 THR 3 HG22 THR 3 -13.748 -9.975 -0.353
19 HG23 THR 3 HG23 THR 3 -12.783 -10.838 0.849
20 H GLN 4 HN GLN 4 -10.707 -8.126 2.736
21 HA GLN 4 HA GLN 4 -8.725 -6.223 2.442
22 HB2 GLN 4 HB2 GLN 4 -8.679 -8.586 4.296
23 HB3 GLN 4 HB1 GLN 4 -7.696 -7.141 4.459
24 HG2 GLN 4 HG2 GLN 4 -9.687 -5.805 4.773
25 HG3 GLN 4 HG1 GLN 4 -10.697 -7.219 4.550
26 HE21 GLN 4 HE21 GLN 4 -8.468 -5.623 6.682
27 HE22 GLN 4 HE22 GLN 4 -8.765 -6.604 8.066
28 H GLU 5 HN GLU 5 -8.533 -9.625 1.987
29 HA GLU 5 HA GLU 5 -5.745 -9.956 1.601
30 HB2 GLU 5 HB2 GLU 5 -7.893 -11.614 0.267
31 HB3 GLU 5 HB1 GLU 5 -6.258 -12.105 0.661
32 HG2 GLU 5 HG2 GLU 5 -7.537 -13.194 2.260
33 HG3 GLU 5 HG1 GLU 5 -6.984 -11.758 3.118
34 H GLU 6 HN GLU 6 -8.337 -9.079 -0.578
35 HA GLU 6 HA GLU 6 -6.784 -9.200 -2.956
36 HB2 GLU 6 HB2 GLU 6 -9.236 -9.390 -2.946
37 HB3 GLU 6 HB1 GLU 6 -9.354 -7.742 -2.358
38 HG2 GLU 6 HG2 GLU 6 -8.398 -6.905 -4.398
39 HG3 GLU 6 HG1 GLU 6 -8.142 -8.547 -4.983
40 H ILE 7 HN ILE 7 -7.553 -6.852 -0.532
41 HA ILE 7 HA ILE 7 -6.582 -4.563 -1.882
42 HB ILE 7 HB ILE 7 -6.665 -5.088 1.082
43 HG12 ILE 7 HG12 ILE 7 -8.899 -4.210 -0.778
44 HG13 ILE 7 HG11 ILE 7 -8.812 -5.609 0.238
45 HG21 ILE 7 HG21 ILE 7 -6.809 -2.527 -0.534
46 HG22 ILE 7 HG22 ILE 7 -5.431 -3.072 0.422
47 HG23 ILE 7 HG23 ILE 7 -6.938 -2.622 1.224
48 HD11 ILE 7 HD11 ILE 7 -8.959 -4.285 2.242
49 HD12 ILE 7 HD12 ILE 7 -10.314 -3.939 1.170
50 HD13 ILE 7 HD13 ILE 7 -8.970 -2.801 1.288
51 H VAL 8 HN VAL 8 -5.237 -6.637 0.644
52 HA VAL 8 HA VAL 8 -2.639 -5.691 0.672
53 HB VAL 8 HB VAL 8 -3.718 -8.478 1.209
54 HG11 VAL 8 HG11 VAL 8 -1.015 -7.332 1.926
55 HG12 VAL 8 HG12 VAL 8 -1.314 -8.605 0.743
56 HG13 VAL 8 HG13 VAL 8 -1.647 -8.891 2.453
57 HG21 VAL 8 HG21 VAL 8 -2.983 -6.208 3.058
58 HG22 VAL 8 HG22 VAL 8 -3.609 -7.775 3.570
59 HG23 VAL 8 HG23 VAL 8 -4.611 -6.672 2.625
60 H ALA 9 HN ALA 9 -4.054 -8.256 -1.355
61 HA ALA 9 HA ALA 9 -1.719 -8.898 -2.778
62 HB1 ALA 9 HB1 ALA 9 -4.577 -9.107 -3.728
63 HB2 ALA 9 HB2 ALA 9 -3.706 -10.336 -2.808
64 HB3 ALA 9 HB3 ALA 9 -3.192 -9.928 -4.447
65 H GLY 10 HN GLY 10 -4.157 -6.443 -3.263
66 HA2 GLY 10 HA2 GLY 10 -3.334 -5.507 -5.796
67 HA3 GLY 10 HA1 GLY 10 -4.248 -4.596 -4.591
68 H LEU 11 HN LEU 11 -2.585 -4.548 -2.514
69 HA LEU 11 HA LEU 11 -0.739 -2.514 -3.075
70 HB2 LEU 11 HB2 LEU 11 -0.848 -4.460 -0.774
71 HB3 LEU 11 HB1 LEU 11 0.180 -3.046 -0.825
72 HG LEU 11 HG LEU 11 -2.834 -2.949 -0.907
73 HD11 LEU 11 HD11 LEU 11 -2.670 -2.210 1.418
74 HD12 LEU 11 HD12 LEU 11 -0.932 -2.502 1.389
75 HD13 LEU 11 HD13 LEU 11 -2.054 -3.849 1.215
76 HD21 LEU 11 HD21 LEU 11 -0.748 -0.809 -0.492
77 HD22 LEU 11 HD22 LEU 11 -2.496 -0.581 -0.418
78 HD23 LEU 11 HD23 LEU 11 -1.731 -1.036 -1.941
79 H ALA 12 HN ALA 12 -0.339 -5.961 -2.566
80 HA ALA 12 HA ALA 12 2.388 -6.207 -2.808
81 HB1 ALA 12 HB1 ALA 12 0.897 -8.001 -2.088
82 HB2 ALA 12 HB2 ALA 12 1.978 -8.529 -3.373
83 HB3 ALA 12 HB3 ALA 12 0.292 -8.155 -3.737
84 H GLU 13 HN GLU 13 -0.051 -6.274 -5.408
85 HA GLU 13 HA GLU 13 1.955 -6.694 -7.369
86 HB2 GLU 13 HB2 GLU 13 0.241 -6.263 -9.072
87 HB3 GLU 13 HB1 GLU 13 -0.271 -7.447 -7.884
88 HG2 GLU 13 HG2 GLU 13 -1.612 -5.742 -6.785
89 HG3 GLU 13 HG1 GLU 13 -1.087 -4.563 -7.985
90 H ILE 14 HN ILE 14 0.590 -3.837 -6.087
91 HA ILE 14 HA ILE 14 1.724 -1.976 -7.922
92 HB ILE 14 HB ILE 14 1.048 -1.718 -4.975
93 HG12 ILE 14 HG12 ILE 14 -0.511 -0.745 -7.352
94 HG13 ILE 14 HG11 ILE 14 -0.758 -2.329 -6.623
95 HG21 ILE 14 HG21 ILE 14 1.578 0.436 -7.022
96 HG22 ILE 14 HG22 ILE 14 2.624 0.014 -5.667
97 HG23 ILE 14 HG23 ILE 14 1.024 0.701 -5.368
98 HD11 ILE 14 HD11 ILE 14 -1.301 -1.309 -4.541
99 HD12 ILE 14 HD12 ILE 14 -2.364 -0.723 -5.826
100 HD13 ILE 14 HD13 ILE 14 -1.048 0.310 -5.214
101 H VAL 15 HN VAL 15 2.703 -3.107 -4.740
102 HA VAL 15 HA VAL 15 5.186 -1.868 -4.596
103 HB VAL 15 HB VAL 15 4.117 -4.338 -3.212
104 HG11 VAL 15 HG11 VAL 15 6.576 -4.412 -3.177
105 HG12 VAL 15 HG12 VAL 15 5.921 -4.069 -1.575
106 HG13 VAL 15 HG13 VAL 15 6.611 -2.766 -2.544
107 HG21 VAL 15 HG21 VAL 15 4.463 -1.491 -2.326
108 HG22 VAL 15 HG22 VAL 15 3.871 -2.815 -1.325
109 HG23 VAL 15 HG23 VAL 15 2.946 -2.291 -2.733
110 H ASN 16 HN ASN 16 4.328 -5.081 -5.827
111 HA ASN 16 HA ASN 16 6.968 -5.915 -6.280
112 HB2 ASN 16 HB2 ASN 16 5.015 -7.424 -6.281
113 HB3 ASN 16 HB1 ASN 16 4.510 -6.735 -7.819
114 HD21 ASN 16 HD21 ASN 16 7.011 -8.490 -6.215
115 HD22 ASN 16 HD22 ASN 16 7.664 -9.272 -7.606
116 H GLU 17 HN GLU 17 4.820 -3.982 -8.152
117 HA GLU 17 HA GLU 17 6.397 -4.056 -10.534
118 HB2 GLU 17 HB2 GLU 17 3.929 -3.669 -10.441
119 HB3 GLU 17 HB1 GLU 17 4.253 -2.094 -9.735
120 HG2 GLU 17 HG2 GLU 17 5.521 -1.507 -11.781
121 HG3 GLU 17 HG1 GLU 17 5.020 -3.046 -12.478
122 H ILE 18 HN ILE 18 5.823 -1.626 -7.997
123 HA ILE 18 HA ILE 18 7.745 0.204 -9.205
124 HB ILE 18 HB ILE 18 6.051 0.508 -6.707
125 HG12 ILE 18 HG12 ILE 18 5.606 1.794 -9.354
126 HG13 ILE 18 HG11 ILE 18 4.876 0.203 -9.019
127 HG21 ILE 18 HG21 ILE 18 6.516 2.885 -6.984
128 HG22 ILE 18 HG22 ILE 18 7.512 2.545 -8.400
129 HG23 ILE 18 HG23 ILE 18 8.024 1.990 -6.805
130 HD11 ILE 18 HD11 ILE 18 4.439 2.839 -7.625
131 HD12 ILE 18 HD12 ILE 18 3.708 1.311 -7.129
132 HD13 ILE 18 HD13 ILE 18 3.313 2.011 -8.700
133 H ALA 19 HN ALA 19 7.370 -1.316 -5.979
134 HA ALA 19 HA ALA 19 9.901 -0.412 -4.943
135 HB1 ALA 19 HB1 ALA 19 8.018 -0.894 -3.503
136 HB2 ALA 19 HB2 ALA 19 9.397 -1.918 -3.101
137 HB3 ALA 19 HB3 ALA 19 8.039 -2.582 -4.011
138 H GLY 20 HN GLY 20 8.573 -3.325 -6.371
139 HA2 GLY 20 HA2 GLY 20 9.666 -5.008 -7.563
140 HA3 GLY 20 HA1 GLY 20 11.216 -4.434 -6.971
141 H ILE 21 HN ILE 21 8.526 -4.943 -4.859
142 HA ILE 21 HA ILE 21 10.107 -6.997 -3.506
143 HB ILE 21 HB ILE 21 7.810 -5.321 -2.457
144 HG12 ILE 21 HG12 ILE 21 9.788 -3.976 -2.780
145 HG13 ILE 21 HG11 ILE 21 9.551 -4.239 -1.057
146 HG21 ILE 21 HG21 ILE 21 9.553 -7.282 -0.963
147 HG22 ILE 21 HG22 ILE 21 7.840 -7.477 -1.335
148 HG23 ILE 21 HG23 ILE 21 8.363 -6.205 -0.232
149 HD11 ILE 21 HD11 ILE 21 11.276 -5.958 -1.087
150 HD12 ILE 21 HD12 ILE 21 11.892 -4.413 -1.674
151 HD13 ILE 21 HD13 ILE 21 11.506 -5.702 -2.816
152 HA PRO 22 HA PRO 22 7.639 -10.580 -4.730
153 HB2 PRO 22 HB2 PRO 22 7.735 -11.233 -1.929
154 HB3 PRO 22 HB1 PRO 22 8.536 -12.031 -3.283
155 HG2 PRO 22 HG2 PRO 22 9.604 -10.032 -1.411
156 HG3 PRO 22 HG1 PRO 22 10.470 -11.155 -2.475
157 HD2 PRO 22 HD2 PRO 22 10.462 -8.523 -2.978
158 HD3 PRO 22 HD1 PRO 22 10.336 -9.735 -4.289
159 H VAL 23 HN VAL 23 5.712 -10.651 -5.093
160 HA VAL 23 HA VAL 23 3.647 -9.147 -3.945
161 HB VAL 23 HB VAL 23 3.484 -11.783 -5.460
162 HG11 VAL 23 HG11 VAL 23 1.197 -11.148 -6.054
163 HG12 VAL 23 HG12 VAL 23 1.321 -9.729 -5.014
164 HG13 VAL 23 HG13 VAL 23 1.382 -11.345 -4.309
165 HG21 VAL 23 HG21 VAL 23 4.632 -10.069 -6.721
166 HG22 VAL 23 HG22 VAL 23 3.299 -8.948 -6.446
167 HG23 VAL 23 HG23 VAL 23 3.049 -10.395 -7.425
168 H GLU 24 HN GLU 24 5.061 -12.181 -3.079
169 HA GLU 24 HA GLU 24 2.945 -12.511 -1.224
170 HB2 GLU 24 HB2 GLU 24 4.837 -14.632 -2.216
171 HB3 GLU 24 HB1 GLU 24 3.557 -14.917 -1.038
172 HG2 GLU 24 HG2 GLU 24 1.902 -14.141 -2.677
173 HG3 GLU 24 HG1 GLU 24 3.188 -13.943 -3.861
174 H ASP 25 HN ASP 25 5.661 -11.025 -1.079
175 HA ASP 25 HA ASP 25 6.360 -11.936 1.638
176 HB2 ASP 25 HB2 ASP 25 8.208 -11.223 -0.027
177 HB3 ASP 25 HB1 ASP 25 7.585 -9.586 0.142
178 H VAL 26 HN VAL 26 4.747 -9.626 -0.252
179 HA VAL 26 HA VAL 26 4.149 -7.732 1.780
180 HB VAL 26 HB VAL 26 3.024 -8.207 -1.008
181 HG11 VAL 26 HG11 VAL 26 1.292 -7.271 0.415
182 HG12 VAL 26 HG12 VAL 26 1.856 -6.113 -0.789
183 HG13 VAL 26 HG13 VAL 26 2.375 -5.957 0.905
184 HG21 VAL 26 HG21 VAL 26 5.305 -7.316 -0.889
185 HG22 VAL 26 HG22 VAL 26 4.723 -6.012 0.155
186 HG23 VAL 26 HG23 VAL 26 4.173 -6.110 -1.513
187 H LYS 27 HN LYS 27 3.460 -8.959 3.369
188 HA LYS 27 HA LYS 27 0.853 -10.347 3.234
189 HB2 LYS 27 HB2 LYS 27 2.927 -10.157 5.433
190 HB3 LYS 27 HB1 LYS 27 1.524 -11.225 5.412
191 HG2 LYS 27 HG2 LYS 27 2.420 -12.426 3.518
192 HG3 LYS 27 HG1 LYS 27 3.790 -11.323 3.435
193 HD2 LYS 27 HD2 LYS 27 4.443 -12.071 5.705
194 HD3 LYS 27 HD1 LYS 27 3.128 -13.249 5.652
195 HE2 LYS 27 HE2 LYS 27 4.115 -14.245 3.640
196 HE3 LYS 27 HE1 LYS 27 5.437 -13.084 3.723
197 HZ1 LYS 27 HZ1 LYS 27 6.022 -14.010 5.899
198 HZ2 LYS 27 HZ2 LYS 27 6.108 -15.160 4.670
199 HZ3 LYS 27 HZ3 LYS 27 4.779 -15.153 5.736
200 H LEU 28 HN LEU 28 0.646 -9.628 6.228
201 HA LEU 28 HA LEU 28 -0.519 -6.989 5.613
202 HB2 LEU 28 HB2 LEU 28 -2.073 -8.978 5.914
203 HB3 LEU 28 HB1 LEU 28 -1.582 -8.985 7.593
204 HG LEU 28 HG LEU 28 -2.655 -6.496 6.427
205 HD11 LEU 28 HD11 LEU 28 -4.936 -7.248 6.981
206 HD12 LEU 28 HD12 LEU 28 -4.279 -8.858 7.354
207 HD13 LEU 28 HD13 LEU 28 -4.188 -8.217 5.702
208 HD21 LEU 28 HD21 LEU 28 -1.850 -6.472 8.739
209 HD22 LEU 28 HD22 LEU 28 -2.942 -7.794 9.149
210 HD23 LEU 28 HD23 LEU 28 -3.594 -6.216 8.700
211 H ASP 29 HN ASP 29 1.519 -8.729 7.664
212 HA ASP 29 HA ASP 29 1.530 -6.878 9.905
213 HB2 ASP 29 HB2 ASP 29 1.959 -9.330 10.085
214 HB3 ASP 29 HB1 ASP 29 3.414 -9.092 9.125
215 H LYS 30 HN LYS 30 2.725 -6.950 6.906
216 HA LYS 30 HA LYS 30 5.481 -6.236 7.284
217 HB2 LYS 30 HB2 LYS 30 3.745 -6.378 4.867
218 HB3 LYS 30 HB1 LYS 30 5.429 -5.906 4.805
219 HG2 LYS 30 HG2 LYS 30 4.597 -8.490 6.062
220 HG3 LYS 30 HG1 LYS 30 4.869 -8.344 4.321
221 HD2 LYS 30 HD2 LYS 30 7.135 -7.475 4.782
222 HD3 LYS 30 HD1 LYS 30 6.844 -7.707 6.499
223 HE2 LYS 30 HE2 LYS 30 6.844 -10.031 6.325
224 HE3 LYS 30 HE1 LYS 30 6.569 -9.990 4.583
225 HZ1 LYS 30 HZ1 LYS 30 9.018 -8.916 5.825
226 HZ2 LYS 30 HZ2 LYS 30 8.741 -9.332 4.179
227 HZ3 LYS 30 HZ3 LYS 30 8.908 -10.535 5.347
228 H SER 31 HN SER 31 6.186 -4.252 7.862
229 HA SER 31 HA SER 31 4.777 -1.916 7.169
230 HB2 SER 31 HB2 SER 31 7.608 -2.368 8.137
231 HB3 SER 31 HB1 SER 31 6.678 -0.869 8.176
232 HG SER 31 HG SER 31 5.979 -1.494 10.048
233 H PHE 32 HN PHE 32 4.681 -1.518 4.984
234 HA PHE 32 HA PHE 32 6.030 -2.069 2.800
235 HB2 PHE 32 HB2 PHE 32 5.088 0.617 3.668
236 HB3 PHE 32 HB1 PHE 32 5.846 0.452 2.108
237 HD1 PHE 32 HD1 PHE 32 4.770 -1.511 0.652
238 HD2 PHE 32 HD2 PHE 32 2.864 0.494 3.861
239 HE1 PHE 32 HE1 PHE 32 2.576 -2.190 -0.229
240 HE2 PHE 32 HE2 PHE 32 0.670 -0.171 2.981
241 HZ PHE 32 HZ PHE 32 0.542 -1.421 0.833
242 H THR 33 HN THR 33 7.110 1.141 3.716
243 HA THR 33 HA THR 33 9.720 0.671 2.866
244 HB THR 33 HB THR 33 9.575 3.051 4.249
245 HG1 THR 33 HG1 THR 33 7.437 3.772 3.447
246 HG21 THR 33 HG21 THR 33 8.871 2.383 1.365
247 HG22 THR 33 HG22 THR 33 10.472 2.708 1.974
248 HG23 THR 33 HG23 THR 33 9.244 3.986 1.982
249 H ASP 34 HN ASP 34 9.676 -1.199 4.678
250 HA ASP 34 HA ASP 34 11.710 -0.456 6.509
251 HB2 ASP 34 HB2 ASP 34 9.926 0.383 7.873
252 HB3 ASP 34 HB1 ASP 34 9.008 -1.105 7.676
253 H ASP 35 HN ASP 35 9.143 -2.938 6.393
254 HA ASP 35 HA ASP 35 11.188 -4.950 6.947
255 HB2 ASP 35 HB2 ASP 35 8.717 -4.884 7.926
256 HB3 ASP 35 HB1 ASP 35 8.341 -5.644 6.389
257 H LEU 36 HN LEU 36 8.770 -4.171 4.539
258 HA LEU 36 HA LEU 36 9.560 -6.136 2.619
259 HB2 LEU 36 HB2 LEU 36 8.172 -3.473 2.222
260 HB3 LEU 36 HB1 LEU 36 8.299 -4.733 1.016
261 HG LEU 36 HG LEU 36 6.790 -4.991 3.618
262 HD11 LEU 36 HD11 LEU 36 4.795 -4.816 2.231
263 HD12 LEU 36 HD12 LEU 36 5.799 -4.561 0.805
264 HD13 LEU 36 HD13 LEU 36 5.775 -3.356 2.087
265 HD21 LEU 36 HD21 LEU 36 6.913 -6.747 1.177
266 HD22 LEU 36 HD22 LEU 36 5.887 -7.000 2.592
267 HD23 LEU 36 HD23 LEU 36 7.639 -7.102 2.744
268 H ASP 37 HN ASP 37 10.063 -2.723 3.062
269 HA ASP 37 HA ASP 37 11.638 -1.295 2.655
270 HB2 ASP 37 HB2 ASP 37 13.292 -2.916 3.511
271 HB3 ASP 37 HB1 ASP 37 13.458 -3.589 1.889
272 H VAL 38 HN VAL 38 10.778 -0.238 1.296
273 HA VAL 38 HA VAL 38 10.543 -1.053 -1.494
274 HB VAL 38 HB VAL 38 9.153 1.135 0.127
275 HG11 VAL 38 HG11 VAL 38 8.599 0.323 -2.724
276 HG12 VAL 38 HG12 VAL 38 9.312 1.850 -2.204
277 HG13 VAL 38 HG13 VAL 38 7.648 1.459 -1.766
278 HG21 VAL 38 HG21 VAL 38 7.150 -0.249 -0.121
279 HG22 VAL 38 HG22 VAL 38 8.439 -1.091 0.737
280 HG23 VAL 38 HG23 VAL 38 8.110 -1.473 -0.954
281 H ASP 39 HN ASP 39 10.579 2.239 -0.335
282 HA ASP 39 HA ASP 39 13.118 3.140 -0.642
283 HB2 ASP 39 HB2 ASP 39 12.547 2.393 -3.202
284 HB3 ASP 39 HB1 ASP 39 11.559 3.859 -3.022
285 H SER 40 HN SER 40 12.817 5.521 -1.236
286 HA SER 40 HA SER 40 10.828 6.507 0.643
287 HB2 SER 40 HB2 SER 40 12.653 8.291 -0.891
288 HB3 SER 40 HB1 SER 40 12.291 8.271 0.848
289 H LEU 41 HN LEU 41 11.783 6.736 -2.640
290 HA LEU 41 HA LEU 41 9.697 8.656 -3.364
291 HB2 LEU 41 HB2 LEU 41 11.846 7.384 -5.051
292 HB3 LEU 41 HB1 LEU 41 10.756 8.646 -5.588
293 HG LEU 41 HG LEU 41 12.821 8.932 -3.402
294 HD11 LEU 41 HD11 LEU 41 13.825 8.734 -5.602
295 HD12 LEU 41 HD12 LEU 41 13.968 10.382 -4.989
296 HD13 LEU 41 HD13 LEU 41 12.762 10.002 -6.216
297 HD21 LEU 41 HD21 LEU 41 10.863 10.348 -3.022
298 HD22 LEU 41 HD22 LEU 41 10.996 10.984 -4.662
299 HD23 LEU 41 HD23 LEU 41 12.263 11.314 -3.480
300 H SER 42 HN SER 42 10.579 5.376 -3.849
301 HA SER 42 HA SER 42 8.753 4.573 -5.830
302 HB2 SER 42 HB2 SER 42 10.766 3.296 -5.004
303 HB3 SER 42 HB1 SER 42 9.872 2.956 -3.527
304 HG SER 42 HG SER 42 9.797 1.774 -5.934
305 H MET 43 HN MET 43 8.546 5.037 -2.414
306 HA MET 43 HA MET 43 6.186 3.738 -1.745
307 HB2 MET 43 HB2 MET 43 7.774 4.595 -0.152
308 HB3 MET 43 HB1 MET 43 7.391 6.246 -0.626
309 HG2 MET 43 HG2 MET 43 6.314 5.487 1.450
310 HG3 MET 43 HG1 MET 43 5.201 6.062 0.203
311 HE1 MET 43 HE1 MET 43 6.012 1.572 0.803
312 HE2 MET 43 HE2 MET 43 6.797 2.846 1.748
313 HE3 MET 43 HE3 MET 43 7.082 2.758 0.020
314 H VAL 44 HN VAL 44 6.776 6.964 -3.088
315 HA VAL 44 HA VAL 44 4.157 7.961 -2.643
316 HB VAL 44 HB VAL 44 6.285 8.983 -4.545
317 HG11 VAL 44 HG11 VAL 44 5.197 11.160 -4.265
318 HG12 VAL 44 HG12 VAL 44 3.960 10.413 -3.254
319 HG13 VAL 44 HG13 VAL 44 4.095 9.968 -4.955
320 HG21 VAL 44 HG21 VAL 44 7.208 8.767 -2.309
321 HG22 VAL 44 HG22 VAL 44 5.842 9.647 -1.632
322 HG23 VAL 44 HG23 VAL 44 6.977 10.471 -2.705
323 H GLU 45 HN GLU 45 5.786 6.219 -5.183
324 HA GLU 45 HA GLU 45 3.864 6.648 -7.209
325 HB2 GLU 45 HB2 GLU 45 5.787 4.383 -6.793
326 HB3 GLU 45 HB1 GLU 45 5.069 4.870 -8.325
327 HG2 GLU 45 HG2 GLU 45 6.932 6.581 -6.700
328 HG3 GLU 45 HG1 GLU 45 7.454 5.518 -8.003
329 H VAL 46 HN VAL 46 4.531 4.206 -4.739
330 HA VAL 46 HA VAL 46 2.497 2.360 -5.268
331 HB VAL 46 HB VAL 46 3.667 3.171 -2.568
332 HG11 VAL 46 HG11 VAL 46 2.082 0.700 -3.285
333 HG12 VAL 46 HG12 VAL 46 1.525 2.025 -2.263
334 HG13 VAL 46 HG13 VAL 46 2.864 1.008 -1.732
335 HG21 VAL 46 HG21 VAL 46 5.337 2.313 -4.124
336 HG22 VAL 46 HG22 VAL 46 4.347 0.883 -4.414
337 HG23 VAL 46 HG23 VAL 46 5.052 1.160 -2.820
338 H VAL 47 HN VAL 47 2.454 5.170 -3.109
339 HA VAL 47 HA VAL 47 -0.171 5.193 -2.248
340 HB VAL 47 HB VAL 47 1.493 7.593 -3.098
341 HG11 VAL 47 HG11 VAL 47 -0.858 8.200 -2.848
342 HG12 VAL 47 HG12 VAL 47 0.108 8.889 -1.543
343 HG13 VAL 47 HG13 VAL 47 -0.888 7.468 -1.244
344 HG21 VAL 47 HG21 VAL 47 2.628 6.220 -1.446
345 HG22 VAL 47 HG22 VAL 47 1.203 6.269 -0.405
346 HG23 VAL 47 HG23 VAL 47 2.109 7.748 -0.731
347 H VAL 48 HN VAL 48 1.006 7.089 -5.003
348 HA VAL 48 HA VAL 48 -1.408 7.790 -6.163
349 HB VAL 48 HB VAL 48 1.224 7.231 -7.571
350 HG11 VAL 48 HG11 VAL 48 0.392 8.676 -9.372
351 HG12 VAL 48 HG12 VAL 48 -1.169 8.791 -8.559
352 HG13 VAL 48 HG13 VAL 48 -0.617 7.241 -9.189
353 HG21 VAL 48 HG21 VAL 48 1.367 8.924 -5.836
354 HG22 VAL 48 HG22 VAL 48 0.002 9.789 -6.547
355 HG23 VAL 48 HG23 VAL 48 1.522 9.655 -7.433
356 H ALA 49 HN ALA 49 0.467 4.828 -6.912
357 HA ALA 49 HA ALA 49 -1.317 3.905 -8.898
358 HB1 ALA 49 HB1 ALA 49 1.017 3.168 -8.754
359 HB2 ALA 49 HB2 ALA 49 -0.108 1.810 -8.796
360 HB3 ALA 49 HB3 ALA 49 0.637 2.293 -7.271
361 H ALA 50 HN ALA 50 -1.385 3.616 -5.432
362 HA ALA 50 HA ALA 50 -3.144 1.418 -5.270
363 HB1 ALA 50 HB1 ALA 50 -2.788 3.705 -3.335
364 HB2 ALA 50 HB2 ALA 50 -1.851 2.211 -3.352
365 HB3 ALA 50 HB3 ALA 50 -3.576 2.168 -2.982
366 H GLU 51 HN GLU 51 -3.603 4.853 -5.650
367 HA GLU 51 HA GLU 51 -6.373 4.990 -5.336
368 HB2 GLU 51 HB2 GLU 51 -4.662 6.723 -7.119
369 HB3 GLU 51 HB1 GLU 51 -6.180 7.148 -6.341
370 HG2 GLU 51 HG2 GLU 51 -5.082 6.976 -4.150
371 HG3 GLU 51 HG1 GLU 51 -3.564 6.613 -4.960
372 H GLU 52 HN GLU 52 -4.334 3.954 -7.909
373 HA GLU 52 HA GLU 52 -6.437 3.921 -9.892
374 HB2 GLU 52 HB2 GLU 52 -4.107 4.263 -10.588
375 HB3 GLU 52 HB1 GLU 52 -3.662 2.706 -9.907
376 HG2 GLU 52 HG2 GLU 52 -3.818 2.470 -12.271
377 HG3 GLU 52 HG1 GLU 52 -5.175 1.620 -11.542
378 H ARG 53 HN ARG 53 -4.672 1.589 -7.897
379 HA ARG 53 HA ARG 53 -5.768 -0.762 -9.043
380 HB2 ARG 53 HB2 ARG 53 -3.593 -0.704 -7.948
381 HB3 ARG 53 HB1 ARG 53 -4.344 -0.258 -6.436
382 HG2 ARG 53 HG2 ARG 53 -3.727 -2.564 -6.309
383 HG3 ARG 53 HG1 ARG 53 -5.480 -2.471 -6.392
384 HD2 ARG 53 HD2 ARG 53 -3.712 -3.017 -8.776
385 HD3 ARG 53 HD1 ARG 53 -4.404 -4.281 -7.767
386 HE ARG 53 HE ARG 53 -6.547 -2.794 -8.537
387 HH11 ARG 53 HH11 ARG 53 -3.972 -4.568 -10.241
388 HH12 ARG 53 HH12 ARG 53 -4.900 -4.870 -11.621
389 HH21 ARG 53 HH21 ARG 53 -7.849 -3.288 -10.439
390 HH22 ARG 53 HH22 ARG 53 -7.143 -4.145 -11.743
391 H PHE 54 HN PHE 54 -6.611 1.258 -6.322
392 HA PHE 54 HA PHE 54 -8.768 -0.614 -5.646
393 HB2 PHE 54 HB2 PHE 54 -7.449 1.488 -3.961
394 HB3 PHE 54 HB1 PHE 54 -8.702 0.369 -3.451
395 HD1 PHE 54 HD1 PHE 54 -7.976 -2.200 -4.174
396 HD2 PHE 54 HD2 PHE 54 -5.399 1.017 -3.149
397 HE1 PHE 54 HE1 PHE 54 -6.235 -3.795 -3.497
398 HE2 PHE 54 HE2 PHE 54 -3.666 -0.604 -2.449
399 HZ PHE 54 HZ PHE 54 -4.089 -2.983 -2.656
400 H ASP 55 HN ASP 55 -8.217 2.221 -7.193
401 HA ASP 55 HA ASP 55 -9.474 3.890 -8.052
402 HB2 ASP 55 HB2 ASP 55 -11.357 2.094 -8.094
403 HB3 ASP 55 HB1 ASP 55 -11.931 2.872 -6.640
404 H VAL 56 HN VAL 56 -9.428 3.326 -4.738
405 HA VAL 56 HA VAL 56 -10.780 5.710 -3.929
406 HB VAL 56 HB VAL 56 -10.935 3.818 -2.447
407 HG11 VAL 56 HG11 VAL 56 -7.931 3.886 -2.191
408 HG12 VAL 56 HG12 VAL 56 -8.882 2.644 -3.002
409 HG13 VAL 56 HG13 VAL 56 -9.019 2.858 -1.258
410 HG21 VAL 56 HG21 VAL 56 -10.942 5.980 -1.358
411 HG22 VAL 56 HG22 VAL 56 -9.184 5.937 -1.210
412 HG23 VAL 56 HG23 VAL 56 -10.173 4.779 -0.317
413 H LYS 57 HN LYS 57 -9.995 7.585 -3.821
414 HA LYS 57 HA LYS 57 -7.277 8.163 -4.516
415 HB2 LYS 57 HB2 LYS 57 -9.467 9.562 -4.918
416 HB3 LYS 57 HB1 LYS 57 -9.178 10.149 -3.288
417 HG2 LYS 57 HG2 LYS 57 -8.235 11.738 -4.758
418 HG3 LYS 57 HG1 LYS 57 -6.879 10.834 -4.073
419 HD2 LYS 57 HD2 LYS 57 -6.937 9.365 -6.100
420 HD3 LYS 57 HD1 LYS 57 -8.132 10.459 -6.791
421 HE2 LYS 57 HE2 LYS 57 -5.310 11.160 -5.994
422 HE3 LYS 57 HE1 LYS 57 -5.897 10.942 -7.638
423 HZ1 LYS 57 HZ1 LYS 57 -5.753 13.227 -7.170
424 HZ2 LYS 57 HZ2 LYS 57 -6.613 13.115 -5.737
425 HZ3 LYS 57 HZ3 LYS 57 -7.408 12.869 -7.223
426 H ILE 58 HN ILE 58 -5.685 7.953 -3.076
427 HA ILE 58 HA ILE 58 -6.234 8.419 -0.231
428 HB ILE 58 HB ILE 58 -4.088 6.541 -1.327
429 HG12 ILE 58 HG12 ILE 58 -6.776 5.782 -0.147
430 HG13 ILE 58 HG11 ILE 58 -6.372 5.698 -1.857
431 HG21 ILE 58 HG21 ILE 58 -4.006 5.724 1.021
432 HG22 ILE 58 HG22 ILE 58 -5.231 6.886 1.467
433 HG23 ILE 58 HG23 ILE 58 -3.647 7.451 0.935
434 HD11 ILE 58 HD11 ILE 58 -4.657 4.029 -1.359
435 HD12 ILE 58 HD12 ILE 58 -6.253 3.520 -0.802
436 HD13 ILE 58 HD13 ILE 58 -5.071 4.131 0.352
437 HA PRO 59 HA PRO 59 -3.521 11.624 -1.736
438 HB2 PRO 59 HB2 PRO 59 -3.857 13.311 0.370
439 HB3 PRO 59 HB1 PRO 59 -5.014 13.162 -0.958
440 HG2 PRO 59 HG2 PRO 59 -5.101 11.974 1.779
441 HG3 PRO 59 HG1 PRO 59 -6.416 12.669 0.813
442 HD2 PRO 59 HD2 PRO 59 -5.987 9.991 1.064
443 HD3 PRO 59 HD1 PRO 59 -6.736 10.729 -0.363
444 H ASP 60 HN ASP 60 -1.414 11.662 -1.599
445 HA ASP 60 HA ASP 60 0.430 10.583 -0.043
446 HB2 ASP 60 HB2 ASP 60 1.270 11.783 -1.832
447 HB3 ASP 60 HB1 ASP 60 0.427 13.257 -1.382
448 H ASP 61 HN ASP 61 -1.347 13.385 0.967
449 HA ASP 61 HA ASP 61 0.322 13.883 3.248
450 HB2 ASP 61 HB2 ASP 61 -0.971 15.703 2.261
451 HB3 ASP 61 HB1 ASP 61 -2.467 14.887 2.703
452 H ASP 62 HN ASP 62 -2.802 12.265 2.828
453 HA ASP 62 HA ASP 62 -3.019 11.767 5.693
454 HB2 ASP 62 HB2 ASP 62 -4.976 12.485 4.232
455 HB3 ASP 62 HB1 ASP 62 -4.840 10.915 3.449
456 H VAL 63 HN VAL 63 -2.006 10.201 2.870
457 HA VAL 63 HA VAL 63 -2.284 7.518 3.655
458 HB VAL 63 HB VAL 63 -1.755 8.417 1.315
459 HG11 VAL 63 HG11 VAL 63 0.582 8.515 0.651
460 HG12 VAL 63 HG12 VAL 63 1.054 8.357 2.345
461 HG13 VAL 63 HG13 VAL 63 0.150 9.772 1.811
462 HG21 VAL 63 HG21 VAL 63 -0.530 6.433 0.637
463 HG22 VAL 63 HG22 VAL 63 -1.865 6.078 1.735
464 HG23 VAL 63 HG23 VAL 63 -0.196 6.069 2.334
465 H LYS 64 HN LYS 64 -0.170 9.959 4.683
466 HA LYS 64 HA LYS 64 2.118 8.505 5.297
467 HB2 LYS 64 HB2 LYS 64 1.163 11.044 6.618
468 HB3 LYS 64 HB1 LYS 64 2.799 10.407 6.681
469 HG2 LYS 64 HG2 LYS 64 2.902 10.646 4.191
470 HG3 LYS 64 HG1 LYS 64 1.346 11.456 4.250
471 HD2 LYS 64 HD2 LYS 64 2.366 13.110 5.842
472 HD3 LYS 64 HD1 LYS 64 3.927 12.355 5.527
473 HE2 LYS 64 HE2 LYS 64 2.155 13.811 3.553
474 HE3 LYS 64 HE1 LYS 64 3.736 14.301 4.132
475 HZ1 LYS 64 HZ1 LYS 64 4.656 12.297 3.021
476 HZ2 LYS 64 HZ2 LYS 64 3.971 13.402 1.959
477 HZ3 LYS 64 HZ3 LYS 64 3.126 12.010 2.336
478 H ASN 65 HN ASN 65 -0.874 8.291 6.740
479 HA ASN 65 HA ASN 65 0.132 7.645 9.408
480 HB2 ASN 65 HB2 ASN 65 -2.698 7.742 8.346
481 HB3 ASN 65 HB1 ASN 65 -2.248 7.428 10.015
482 HD21 ASN 65 HD21 ASN 65 -3.838 9.529 8.761
483 HD22 ASN 65 HD22 ASN 65 -3.162 11.028 9.254
484 H LEU 66 HN LEU 66 -0.207 6.035 6.550
485 HA LEU 66 HA LEU 66 -1.432 3.655 7.632
486 HB2 LEU 66 HB2 LEU 66 -0.280 4.117 4.887
487 HB3 LEU 66 HB1 LEU 66 -1.226 2.726 5.384
488 HG LEU 66 HG LEU 66 -2.200 5.572 5.177
489 HD11 LEU 66 HD11 LEU 66 -1.932 4.497 3.029
490 HD12 LEU 66 HD12 LEU 66 -3.639 4.712 3.415
491 HD13 LEU 66 HD13 LEU 66 -2.890 3.122 3.578
492 HD21 LEU 66 HD21 LEU 66 -4.407 4.664 5.714
493 HD22 LEU 66 HD22 LEU 66 -3.279 4.448 7.059
494 HD23 LEU 66 HD23 LEU 66 -3.689 3.089 6.009
495 H LYS 67 HN LYS 67 1.566 3.971 5.751
496 HA LYS 67 HA LYS 67 3.485 3.074 5.772
497 HB2 LYS 67 HB2 LYS 67 4.809 2.820 7.937
498 HB3 LYS 67 HB1 LYS 67 4.179 4.403 7.554
499 HG2 LYS 67 HG2 LYS 67 3.919 4.085 9.881
500 HG3 LYS 67 HG1 LYS 67 2.314 3.921 9.173
501 HD2 LYS 67 HD2 LYS 67 2.664 1.436 9.220
502 HD3 LYS 67 HD1 LYS 67 4.135 1.729 10.151
503 HE2 LYS 67 HE2 LYS 67 1.336 2.546 10.931
504 HE3 LYS 67 HE1 LYS 67 2.259 1.216 11.621
505 HZ1 LYS 67 HZ1 LYS 67 2.328 3.154 13.029
506 HZ2 LYS 67 HZ2 LYS 67 2.981 4.102 11.796
507 HZ3 LYS 67 HZ3 LYS 67 3.879 2.819 12.429
508 H THR 68 HN THR 68 1.284 1.014 7.334
509 HA THR 68 HA THR 68 3.037 -1.194 6.472
510 HB THR 68 HB THR 68 1.543 -2.740 7.672
511 HG1 THR 68 HG1 THR 68 0.380 -0.792 9.305
512 HG21 THR 68 HG21 THR 68 2.322 -2.289 9.936
513 HG22 THR 68 HG22 THR 68 2.871 -0.673 9.419
514 HG23 THR 68 HG23 THR 68 3.568 -2.149 8.707
515 H VAL 69 HN VAL 69 1.947 -3.008 5.589
516 HA VAL 69 HA VAL 69 0.172 -2.355 3.507
517 HB VAL 69 HB VAL 69 -0.041 -4.929 3.427
518 HG11 VAL 69 HG11 VAL 69 1.512 -3.624 1.983
519 HG12 VAL 69 HG12 VAL 69 2.233 -5.153 2.482
520 HG13 VAL 69 HG13 VAL 69 2.707 -3.651 3.279
521 HG21 VAL 69 HG21 VAL 69 0.554 -5.325 5.707
522 HG22 VAL 69 HG22 VAL 69 2.145 -4.616 5.432
523 HG23 VAL 69 HG23 VAL 69 1.691 -6.115 4.621
524 H GLY 70 HN GLY 70 -0.234 -3.852 6.697
525 HA2 GLY 70 HA2 GLY 70 -2.936 -4.499 6.518
526 HA3 GLY 70 HA1 GLY 70 -2.052 -4.189 8.004
527 H ASP 71 HN ASP 71 -1.373 -1.585 7.797
528 HA ASP 71 HA ASP 71 -3.811 -0.295 8.400
529 HB2 ASP 71 HB2 ASP 71 -1.040 0.824 8.039
530 HB3 ASP 71 HB1 ASP 71 -2.423 1.863 8.334
531 H ALA 72 HN ALA 72 -1.761 -0.199 5.533
532 HA ALA 72 HA ALA 72 -3.156 1.735 4.097
533 HB1 ALA 72 HB1 ALA 72 -2.296 0.623 2.079
534 HB2 ALA 72 HB2 ALA 72 -1.863 -0.787 3.047
535 HB3 ALA 72 HB3 ALA 72 -1.049 0.755 3.318
536 H THR 73 HN THR 73 -3.549 -1.793 3.807
537 HA THR 73 HA THR 73 -5.902 -2.041 2.561
538 HB THR 73 HB THR 73 -4.943 -3.599 4.960
539 HG1 THR 73 HG1 THR 73 -3.398 -3.834 3.494
540 HG21 THR 73 HG21 THR 73 -7.282 -4.051 4.439
541 HG22 THR 73 HG22 THR 73 -6.289 -5.442 3.963
542 HG23 THR 73 HG23 THR 73 -6.873 -4.290 2.751
543 H LYS 74 HN LYS 74 -5.576 -1.639 6.116
544 HA LYS 74 HA LYS 74 -8.252 -1.673 6.789
545 HB2 LYS 74 HB2 LYS 74 -6.583 -1.893 8.479
546 HB3 LYS 74 HB1 LYS 74 -5.846 -0.367 8.058
547 HG2 LYS 74 HG2 LYS 74 -8.627 -0.400 9.151
548 HG3 LYS 74 HG1 LYS 74 -7.260 -0.628 10.253
549 HD2 LYS 74 HD2 LYS 74 -7.755 1.733 8.421
550 HD3 LYS 74 HD1 LYS 74 -7.947 1.718 10.174
551 HE2 LYS 74 HE2 LYS 74 -5.354 1.288 8.677
552 HE3 LYS 74 HE1 LYS 74 -5.834 2.776 9.488
553 HZ1 LYS 74 HZ1 LYS 74 -4.301 1.391 10.790
554 HZ2 LYS 74 HZ2 LYS 74 -5.405 0.154 10.860
555 HZ3 LYS 74 HZ3 LYS 74 -5.748 1.647 11.602
556 H TYR 75 HN TYR 75 -6.340 1.016 5.524
557 HA TYR 75 HA TYR 75 -8.267 3.011 6.033
558 HB2 TYR 75 HB2 TYR 75 -5.866 3.437 5.671
559 HB3 TYR 75 HB1 TYR 75 -6.002 2.824 4.037
560 HD1 TYR 75 HD2 TYR 75 -7.282 4.148 2.350
561 HD2 TYR 75 HD1 TYR 75 -6.385 5.693 6.205
562 HE1 TYR 75 HE2 TYR 75 -7.812 6.448 1.575
563 HE2 TYR 75 HE1 TYR 75 -6.900 7.964 5.413
564 HH TYR 75 HH TYR 75 -8.303 8.465 2.276
565 H ILE 76 HN ILE 76 -7.193 1.223 3.217
566 HA ILE 76 HA ILE 76 -9.022 2.119 1.329
567 HB ILE 76 HB ILE 76 -7.569 -0.534 1.510
568 HG12 ILE 76 HG12 ILE 76 -6.777 1.977 0.049
569 HG13 ILE 76 HG11 ILE 76 -6.230 1.595 1.675
570 HG21 ILE 76 HG21 ILE 76 -8.756 0.900 -0.879
571 HG22 ILE 76 HG22 ILE 76 -9.381 -0.583 -0.153
572 HG23 ILE 76 HG23 ILE 76 -7.799 -0.582 -0.934
573 HD11 ILE 76 HD11 ILE 76 -4.568 1.023 0.015
574 HD12 ILE 76 HD12 ILE 76 -5.731 -0.046 -0.782
575 HD13 ILE 76 HD13 ILE 76 -5.164 -0.413 0.849
576 H LEU 77 HN LEU 77 -9.103 -0.767 3.337
577 HA LEU 77 HA LEU 77 -11.453 -1.959 2.562
578 HB2 LEU 77 HB2 LEU 77 -9.866 -2.870 4.177
579 HB3 LEU 77 HB1 LEU 77 -10.346 -1.660 5.345
580 HG LEU 77 HG LEU 77 -12.630 -2.647 5.325
581 HD11 LEU 77 HD11 LEU 77 -12.912 -4.880 4.412
582 HD12 LEU 77 HD12 LEU 77 -11.296 -4.795 3.710
583 HD13 LEU 77 HD13 LEU 77 -12.558 -3.692 3.159
584 HD21 LEU 77 HD21 LEU 77 -10.369 -4.484 6.090
585 HD22 LEU 77 HD22 LEU 77 -12.025 -4.575 6.687
586 HD23 LEU 77 HD23 LEU 77 -11.026 -3.174 7.073
587 H ASP 78 HN ASP 78 -10.985 0.709 4.705
588 HA ASP 78 HA ASP 78 -13.852 0.862 5.385
589 HB2 ASP 78 HB2 ASP 78 -12.333 1.294 7.211
590 HB3 ASP 78 HB1 ASP 78 -11.534 2.566 6.296
591 H HIS 79 HN HIS 79 -11.458 2.673 3.707
592 HA HIS 79 HA HIS 79 -13.220 4.852 3.119
593 HB2 HIS 79 HB2 HIS 79 -10.314 4.361 2.681
594 HB3 HIS 79 HB1 HIS 79 -11.060 5.732 1.905
595 HD1 HIS 79 HD1 HIS 79 -11.589 7.749 3.426
596 HD2 HIS 79 HD2 HIS 79 -10.204 4.448 5.527
597 HE1 HIS 79 HE1 HIS 79 -11.096 8.574 5.741
598 HE2 HIS 79 HE2 HIS 79 -10.727 6.454 7.027
599 H GLN 80 HN GLN 80 -13.042 1.975 1.774
600 HA GLN 80 HA GLN 80 -12.942 1.877 -0.927
601 HB2 GLN 80 HB2 GLN 80 -15.160 1.103 0.866
602 HB3 GLN 80 HB1 GLN 80 -15.281 0.751 -0.860
603 HG2 GLN 80 HG2 GLN 80 -13.392 -0.353 1.213
604 HG3 GLN 80 HG1 GLN 80 -14.699 -1.181 0.366
605 HE21 GLN 80 HE21 GLN 80 -11.539 -0.308 0.357
606 HE22 GLN 80 HE22 GLN 80 -11.037 -0.969 -1.158
607 H ALA 81 HN ALA 81 -13.695 3.146 -2.614
608 HA ALA 81 HA ALA 81 -16.230 4.487 -2.274
609 HB1 ALA 81 HB1 ALA 81 -13.689 5.851 -3.194
610 HB2 ALA 81 HB2 ALA 81 -14.531 6.158 -1.676
611 HB3 ALA 81 HB3 ALA 81 -15.303 6.561 -3.211
612 H2 SHW 101 H2A SHW 101 1.848 6.053 2.326
613 H2A SHW 101 H2B SHW 101 3.050 5.073 1.496
614 H3 SHW 101 H3A SHW 101 2.012 4.555 4.303
615 HO3 SHW 101 HO3 SHW 101 3.967 3.371 2.686
616 H4 SHW 101 H4A SHW 101 0.304 4.121 2.624
617 H4A SHW 101 H4B SHW 101 0.918 2.601 3.252
618 H5 SHW 101 H5A SHW 101 2.289 2.308 1.253
619 H5A SHW 101 H5B SHW 101 1.714 3.850 0.622
620 H6 SHW 101 H6A SHW 101 -0.026 1.464 1.229
621 H6A SHW 101 H6B SHW 101 0.529 1.934 -0.377
622 H7 SHW 101 H7A SHW 101 -0.683 4.031 -0.225
623 H7A SHW 101 H7B SHW 101 -1.187 3.637 1.430
624 H8 SHW 101 H8C SHW 101 -2.948 3.156 -0.193
625 H8A SHW 101 H8A SHW 101 -2.372 1.681 0.582
626 H8B SHW 101 H8B SHW 101 -1.855 2.076 -1.058
627 H28 SHW 101 H28A SHW 101 11.509 7.301 2.202
628 H28A SHW 101 H28B SHW 101 12.080 6.076 3.339
629 H30 SHW 101 H30A SHW 101 13.426 7.812 5.320
630 H30A SHW 101 H30B SHW 101 12.232 6.569 5.708
631 H30B SHW 101 H30C SHW 101 12.031 8.210 6.323
632 H31 SHW 101 H31A SHW 101 11.272 9.716 3.026
633 H31A SHW 101 H31B SHW 101 12.863 9.641 3.783
634 H31B SHW 101 H31C SHW 101 11.447 10.063 4.746
635 H32 SHW 101 H32A SHW 101 9.759 8.443 5.337
636 HO33 SHW 101 H33A SHW 101 8.867 7.439 3.030
637 HN36 SHW 101 H36A SHW 101 7.852 7.223 5.172
638 H37 SHW 101 H37A SHW 101 6.903 4.944 4.754
639 H37A SHW 101 H37B SHW 101 8.204 4.358 5.808
640 H38 SHW 101 H38A SHW 101 5.903 4.668 6.870
641 H38A SHW 101 H38B SHW 101 7.236 5.451 7.668
642 HN41 SHW 101 H41A SHW 101 5.787 6.674 4.697
643 H42 SHW 101 H42A SHW 101 4.114 8.668 5.754
644 H42A SHW 101 H42B SHW 101 5.761 9.232 5.464
645 H43 SHW 101 H43A SHW 101 5.622 8.422 3.110
646 H43A SHW 101 H43B SHW 101 4.662 9.813 3.569
Start of MODEL 16
1 H1 ALA 1 HT1 ALA 1 -17.677 -2.482 -0.227
2 H2 ALA 1 HT2 ALA 1 -18.071 -2.153 1.406
3 H3 ALA 1 HT3 ALA 1 -17.952 -3.755 0.854
4 HA ALA 1 HA ALA 1 -15.706 -1.860 0.905
5 HB1 ALA 1 HB1 ALA 1 -16.334 -4.216 2.696
6 HB2 ALA 1 HB2 ALA 1 -16.412 -2.517 3.169
7 HB3 ALA 1 HB3 ALA 1 -14.862 -3.243 2.738
8 H ALA 2 HN ALA 2 -13.740 -3.611 1.087
9 HA ALA 2 HA ALA 2 -14.151 -5.522 -1.089
10 HB1 ALA 2 HB1 ALA 2 -12.916 -3.600 -1.986
11 HB2 ALA 2 HB2 ALA 2 -11.862 -5.013 -1.869
12 HB3 ALA 2 HB3 ALA 2 -11.751 -3.727 -0.668
13 H THR 3 HN THR 3 -12.688 -7.397 -0.906
14 HA THR 3 HA THR 3 -12.494 -8.290 1.735
15 HB THR 3 HB THR 3 -10.918 -9.638 -0.359
16 HG1 THR 3 HG1 THR 3 -12.414 -9.546 -1.907
17 HG21 THR 3 HG21 THR 3 -13.387 -10.363 1.215
18 HG22 THR 3 HG22 THR 3 -11.729 -10.692 1.717
19 HG23 THR 3 HG23 THR 3 -12.399 -11.495 0.287
20 H GLN 4 HN GLN 4 -10.736 -8.105 3.081
21 HA GLN 4 HA GLN 4 -8.979 -5.983 2.700
22 HB2 GLN 4 HB2 GLN 4 -8.673 -8.247 4.663
23 HB3 GLN 4 HB1 GLN 4 -7.888 -6.672 4.750
24 HG2 GLN 4 HG2 GLN 4 -10.078 -5.602 4.924
25 HG3 GLN 4 HG1 GLN 4 -10.844 -7.186 4.876
26 HE21 GLN 4 HE21 GLN 4 -7.872 -6.447 6.621
27 HE22 GLN 4 HE22 GLN 4 -8.550 -6.622 8.189
28 H GLU 5 HN GLU 5 -8.461 -9.369 2.202
29 HA GLU 5 HA GLU 5 -5.608 -9.001 1.842
30 HB2 GLU 5 HB2 GLU 5 -7.305 -11.476 1.604
31 HB3 GLU 5 HB1 GLU 5 -5.543 -11.445 1.505
32 HG2 GLU 5 HG2 GLU 5 -5.379 -10.607 3.743
33 HG3 GLU 5 HG1 GLU 5 -7.133 -10.486 3.862
34 H GLU 6 HN GLU 6 -8.403 -9.271 -0.028
35 HA GLU 6 HA GLU 6 -7.318 -9.632 -2.600
36 HB2 GLU 6 HB2 GLU 6 -9.690 -9.851 -1.986
37 HB3 GLU 6 HB1 GLU 6 -9.761 -8.138 -1.637
38 HG2 GLU 6 HG2 GLU 6 -9.406 -7.677 -4.010
39 HG3 GLU 6 HG1 GLU 6 -9.373 -9.422 -4.323
40 H ILE 7 HN ILE 7 -7.886 -6.888 -0.500
41 HA ILE 7 HA ILE 7 -6.983 -4.817 -2.194
42 HB ILE 7 HB ILE 7 -6.859 -4.990 0.824
43 HG12 ILE 7 HG12 ILE 7 -9.175 -4.213 -0.974
44 HG13 ILE 7 HG11 ILE 7 -9.075 -5.483 0.194
45 HG21 ILE 7 HG21 ILE 7 -6.969 -2.592 -1.018
46 HG22 ILE 7 HG22 ILE 7 -5.574 -3.130 -0.085
47 HG23 ILE 7 HG23 ILE 7 -7.004 -2.521 0.745
48 HD11 ILE 7 HD11 ILE 7 -9.016 -3.933 2.039
49 HD12 ILE 7 HD12 ILE 7 -10.431 -3.641 1.030
50 HD13 ILE 7 HD13 ILE 7 -9.035 -2.570 0.922
51 H VAL 8 HN VAL 8 -5.448 -6.598 0.466
52 HA VAL 8 HA VAL 8 -2.870 -5.655 0.292
53 HB VAL 8 HB VAL 8 -3.833 -8.429 1.032
54 HG11 VAL 8 HG11 VAL 8 -1.716 -8.674 2.243
55 HG12 VAL 8 HG12 VAL 8 -1.161 -7.128 1.588
56 HG13 VAL 8 HG13 VAL 8 -1.455 -8.494 0.507
57 HG21 VAL 8 HG21 VAL 8 -3.648 -7.573 3.322
58 HG22 VAL 8 HG22 VAL 8 -4.773 -6.617 2.353
59 HG23 VAL 8 HG23 VAL 8 -3.173 -6.000 2.684
60 H ALA 9 HN ALA 9 -4.319 -8.281 -1.548
61 HA ALA 9 HA ALA 9 -2.017 -9.087 -2.971
62 HB1 ALA 9 HB1 ALA 9 -4.063 -10.448 -2.916
63 HB2 ALA 9 HB2 ALA 9 -3.548 -10.114 -4.573
64 HB3 ALA 9 HB3 ALA 9 -4.894 -9.219 -3.872
65 H GLY 10 HN GLY 10 -4.416 -6.606 -3.546
66 HA2 GLY 10 HA2 GLY 10 -3.537 -5.794 -6.115
67 HA3 GLY 10 HA1 GLY 10 -4.494 -4.843 -4.972
68 H LEU 11 HN LEU 11 -2.842 -4.749 -2.843
69 HA LEU 11 HA LEU 11 -1.049 -2.677 -3.480
70 HB2 LEU 11 HB2 LEU 11 -1.240 -4.453 -1.059
71 HB3 LEU 11 HB1 LEU 11 -0.121 -3.114 -1.192
72 HG LEU 11 HG LEU 11 -3.124 -2.842 -1.316
73 HD11 LEU 11 HD11 LEU 11 -2.912 -1.912 0.932
74 HD12 LEU 11 HD12 LEU 11 -1.189 -2.283 0.927
75 HD13 LEU 11 HD13 LEU 11 -2.374 -3.591 0.887
76 HD21 LEU 11 HD21 LEU 11 -2.645 -0.464 -1.045
77 HD22 LEU 11 HD22 LEU 11 -1.904 -1.099 -2.514
78 HD23 LEU 11 HD23 LEU 11 -0.914 -0.801 -1.086
79 H ALA 12 HN ALA 12 -0.513 -6.055 -2.687
80 HA ALA 12 HA ALA 12 2.228 -6.206 -2.723
81 HB1 ALA 12 HB1 ALA 12 1.931 -8.593 -3.124
82 HB2 ALA 12 HB2 ALA 12 0.281 -8.303 -3.665
83 HB3 ALA 12 HB3 ALA 12 0.726 -7.994 -1.989
84 H GLU 13 HN GLU 13 0.000 -6.552 -5.435
85 HA GLU 13 HA GLU 13 2.091 -7.090 -7.263
86 HB2 GLU 13 HB2 GLU 13 0.433 -6.774 -9.067
87 HB3 GLU 13 HB1 GLU 13 -0.124 -7.863 -7.808
88 HG2 GLU 13 HG2 GLU 13 -1.429 -6.038 -6.849
89 HG3 GLU 13 HG1 GLU 13 -0.934 -4.991 -8.168
90 H ILE 14 HN ILE 14 0.568 -4.132 -6.361
91 HA ILE 14 HA ILE 14 1.798 -2.400 -8.212
92 HB ILE 14 HB ILE 14 0.863 -1.985 -5.368
93 HG12 ILE 14 HG12 ILE 14 -0.477 -1.175 -7.932
94 HG13 ILE 14 HG11 ILE 14 -0.783 -2.712 -7.122
95 HG21 ILE 14 HG21 ILE 14 0.819 0.409 -5.869
96 HG22 ILE 14 HG22 ILE 14 1.559 0.083 -7.442
97 HG23 ILE 14 HG23 ILE 14 2.454 -0.254 -5.959
98 HD11 ILE 14 HD11 ILE 14 -1.207 0.009 -5.934
99 HD12 ILE 14 HD12 ILE 14 -1.484 -1.570 -5.168
100 HD13 ILE 14 HD13 ILE 14 -2.456 -1.091 -6.563
101 H VAL 15 HN VAL 15 2.657 -3.417 -4.945
102 HA VAL 15 HA VAL 15 5.018 -1.987 -4.599
103 HB VAL 15 HB VAL 15 4.267 -4.686 -3.446
104 HG11 VAL 15 HG11 VAL 15 5.886 -4.192 -1.656
105 HG12 VAL 15 HG12 VAL 15 6.381 -2.733 -2.511
106 HG13 VAL 15 HG13 VAL 15 6.679 -4.315 -3.226
107 HG21 VAL 15 HG21 VAL 15 3.993 -1.907 -2.340
108 HG22 VAL 15 HG22 VAL 15 3.616 -3.395 -1.476
109 HG23 VAL 15 HG23 VAL 15 2.686 -2.944 -2.909
110 H ASN 16 HN ASN 16 4.465 -5.046 -6.202
111 HA ASN 16 HA ASN 16 7.228 -5.660 -6.453
112 HB2 ASN 16 HB2 ASN 16 5.350 -7.308 -6.577
113 HB3 ASN 16 HB1 ASN 16 4.990 -6.680 -8.180
114 HD21 ASN 16 HD21 ASN 16 7.340 -8.289 -6.246
115 HD22 ASN 16 HD22 ASN 16 8.190 -9.083 -7.517
116 H GLU 17 HN GLU 17 4.987 -3.788 -8.369
117 HA GLU 17 HA GLU 17 6.573 -3.650 -10.710
118 HB2 GLU 17 HB2 GLU 17 4.347 -1.936 -9.667
119 HB3 GLU 17 HB1 GLU 17 5.027 -1.870 -11.281
120 HG2 GLU 17 HG2 GLU 17 3.727 -4.178 -10.008
121 HG3 GLU 17 HG1 GLU 17 2.917 -3.110 -11.164
122 H ILE 18 HN ILE 18 5.911 -1.562 -7.968
123 HA ILE 18 HA ILE 18 7.593 0.451 -9.092
124 HB ILE 18 HB ILE 18 5.938 0.496 -6.554
125 HG12 ILE 18 HG12 ILE 18 5.480 1.964 -9.108
126 HG13 ILE 18 HG11 ILE 18 4.811 0.328 -8.882
127 HG21 ILE 18 HG21 ILE 18 6.287 2.910 -6.606
128 HG22 ILE 18 HG22 ILE 18 7.353 2.734 -8.001
129 HG23 ILE 18 HG23 ILE 18 7.817 2.050 -6.438
130 HD11 ILE 18 HD11 ILE 18 3.179 2.040 -8.450
131 HD12 ILE 18 HD12 ILE 18 4.264 2.825 -7.300
132 HD13 ILE 18 HD13 ILE 18 3.594 1.233 -6.938
133 H ALA 19 HN ALA 19 7.427 -1.309 -5.982
134 HA ALA 19 HA ALA 19 9.929 -0.276 -4.974
135 HB1 ALA 19 HB1 ALA 19 9.507 -1.809 -3.120
136 HB2 ALA 19 HB2 ALA 19 8.148 -2.498 -4.003
137 HB3 ALA 19 HB3 ALA 19 8.098 -0.811 -3.483
138 H GLY 20 HN GLY 20 8.641 -3.251 -6.337
139 HA2 GLY 20 HA2 GLY 20 9.823 -4.851 -7.603
140 HA3 GLY 20 HA1 GLY 20 11.335 -4.211 -6.964
141 H ILE 21 HN ILE 21 8.752 -4.785 -4.802
142 HA ILE 21 HA ILE 21 10.366 -6.848 -3.510
143 HB ILE 21 HB ILE 21 8.018 -5.245 -2.444
144 HG12 ILE 21 HG12 ILE 21 9.920 -3.799 -2.792
145 HG13 ILE 21 HG11 ILE 21 9.726 -4.079 -1.067
146 HG21 ILE 21 HG21 ILE 21 8.622 -6.097 -0.227
147 HG22 ILE 21 HG22 ILE 21 9.876 -7.098 -0.957
148 HG23 ILE 21 HG23 ILE 21 8.181 -7.404 -1.329
149 HD11 ILE 21 HD11 ILE 21 11.548 -5.703 -1.131
150 HD12 ILE 21 HD12 ILE 21 12.064 -4.123 -1.719
151 HD13 ILE 21 HD13 ILE 21 11.733 -5.426 -2.863
152 HA PRO 22 HA PRO 22 7.896 -10.442 -4.671
153 HB2 PRO 22 HB2 PRO 22 7.845 -11.099 -1.870
154 HB3 PRO 22 HB1 PRO 22 8.739 -11.884 -3.174
155 HG2 PRO 22 HG2 PRO 22 9.640 -9.836 -1.249
156 HG3 PRO 22 HG1 PRO 22 10.597 -10.997 -2.189
157 HD2 PRO 22 HD2 PRO 22 10.660 -8.397 -2.810
158 HD3 PRO 22 HD1 PRO 22 10.586 -9.655 -4.081
159 H VAL 23 HN VAL 23 5.923 -10.460 -5.076
160 HA VAL 23 HA VAL 23 3.867 -8.933 -3.868
161 HB VAL 23 HB VAL 23 3.692 -11.435 -5.604
162 HG11 VAL 23 HG11 VAL 23 1.439 -10.722 -6.211
163 HG12 VAL 23 HG12 VAL 23 1.544 -9.394 -5.056
164 HG13 VAL 23 HG13 VAL 23 1.564 -11.063 -4.485
165 HG21 VAL 23 HG21 VAL 23 3.327 -9.887 -7.453
166 HG22 VAL 23 HG22 VAL 23 4.896 -9.645 -6.682
167 HG23 VAL 23 HG23 VAL 23 3.571 -8.530 -6.352
168 H GLU 24 HN GLU 24 5.357 -11.780 -3.064
169 HA GLU 24 HA GLU 24 3.150 -12.729 -1.532
170 HB2 GLU 24 HB2 GLU 24 5.761 -14.085 -2.147
171 HB3 GLU 24 HB1 GLU 24 4.485 -14.805 -1.180
172 HG2 GLU 24 HG2 GLU 24 4.247 -13.955 -4.051
173 HG3 GLU 24 HG1 GLU 24 4.443 -15.609 -3.468
174 H ASP 25 HN ASP 25 5.821 -10.801 -1.041
175 HA ASP 25 HA ASP 25 6.256 -11.740 1.693
176 HB2 ASP 25 HB2 ASP 25 8.177 -10.960 0.124
177 HB3 ASP 25 HB1 ASP 25 7.600 -9.331 0.465
178 H VAL 26 HN VAL 26 4.526 -9.586 -0.115
179 HA VAL 26 HA VAL 26 3.958 -7.627 1.888
180 HB VAL 26 HB VAL 26 2.810 -8.207 -0.866
181 HG11 VAL 26 HG11 VAL 26 1.602 -6.130 -0.692
182 HG12 VAL 26 HG12 VAL 26 2.119 -5.936 1.000
183 HG13 VAL 26 HG13 VAL 26 1.054 -7.278 0.530
184 HG21 VAL 26 HG21 VAL 26 5.066 -7.267 -0.798
185 HG22 VAL 26 HG22 VAL 26 4.478 -5.946 0.216
186 HG23 VAL 26 HG23 VAL 26 3.903 -6.101 -1.442
187 H LYS 27 HN LYS 27 3.342 -8.872 3.511
188 HA LYS 27 HA LYS 27 0.805 -10.387 3.502
189 HB2 LYS 27 HB2 LYS 27 2.888 -9.888 5.649
190 HB3 LYS 27 HB1 LYS 27 1.570 -11.051 5.733
191 HG2 LYS 27 HG2 LYS 27 2.532 -12.359 3.960
192 HG3 LYS 27 HG1 LYS 27 3.779 -11.144 3.695
193 HD2 LYS 27 HD2 LYS 27 4.652 -11.576 5.951
194 HD3 LYS 27 HD1 LYS 27 3.406 -12.804 6.184
195 HE2 LYS 27 HE2 LYS 27 4.291 -14.096 4.338
196 HE3 LYS 27 HE1 LYS 27 5.499 -12.854 4.019
197 HZ1 LYS 27 HZ1 LYS 27 5.331 -14.514 6.495
198 HZ2 LYS 27 HZ2 LYS 27 6.453 -13.290 6.199
199 HZ3 LYS 27 HZ3 LYS 27 6.441 -14.669 5.222
200 H LEU 28 HN LEU 28 0.616 -9.457 6.474
201 HA LEU 28 HA LEU 28 -0.233 -6.723 5.847
202 HB2 LEU 28 HB2 LEU 28 -1.670 -8.760 7.464
203 HB3 LEU 28 HB1 LEU 28 -1.863 -7.059 7.820
204 HG LEU 28 HG LEU 28 -2.507 -6.814 5.363
205 HD11 LEU 28 HD11 LEU 28 -3.526 -8.704 4.342
206 HD12 LEU 28 HD12 LEU 28 -2.949 -9.770 5.637
207 HD13 LEU 28 HD13 LEU 28 -1.799 -8.941 4.565
208 HD21 LEU 28 HD21 LEU 28 -4.816 -7.361 5.869
209 HD22 LEU 28 HD22 LEU 28 -3.981 -6.518 7.189
210 HD23 LEU 28 HD23 LEU 28 -4.261 -8.258 7.296
211 H ASP 29 HN ASP 29 1.728 -8.557 7.754
212 HA ASP 29 HA ASP 29 1.839 -6.812 10.079
213 HB2 ASP 29 HB2 ASP 29 2.178 -9.262 10.216
214 HB3 ASP 29 HB1 ASP 29 3.595 -9.112 9.190
215 H LYS 30 HN LYS 30 2.966 -6.804 7.048
216 HA LYS 30 HA LYS 30 5.746 -6.088 7.417
217 HB2 LYS 30 HB2 LYS 30 3.995 -6.224 4.986
218 HB3 LYS 30 HB1 LYS 30 5.702 -5.830 4.946
219 HG2 LYS 30 HG2 LYS 30 4.745 -8.367 6.202
220 HG3 LYS 30 HG1 LYS 30 4.959 -8.238 4.456
221 HD2 LYS 30 HD2 LYS 30 7.297 -7.616 4.778
222 HD3 LYS 30 HD1 LYS 30 7.086 -7.702 6.531
223 HE2 LYS 30 HE2 LYS 30 6.727 -10.035 6.465
224 HE3 LYS 30 HE1 LYS 30 6.522 -10.023 4.716
225 HZ1 LYS 30 HZ1 LYS 30 8.798 -9.508 4.437
226 HZ2 LYS 30 HZ2 LYS 30 8.663 -10.893 5.385
227 HZ3 LYS 30 HZ3 LYS 30 9.079 -9.409 6.116
228 H SER 31 HN SER 31 6.456 -4.051 7.765
229 HA SER 31 HA SER 31 4.753 -1.844 7.102
230 HB2 SER 31 HB2 SER 31 7.570 -1.772 8.220
231 HB3 SER 31 HB1 SER 31 6.237 -0.641 8.375
232 HG SER 31 HG SER 31 6.523 -3.155 9.575
233 H PHE 32 HN PHE 32 4.816 -1.405 4.965
234 HA PHE 32 HA PHE 32 6.258 -2.020 2.877
235 HB2 PHE 32 HB2 PHE 32 5.294 0.706 3.593
236 HB3 PHE 32 HB1 PHE 32 6.106 0.416 2.066
237 HD1 PHE 32 HD1 PHE 32 5.062 -1.232 0.475
238 HD2 PHE 32 HD2 PHE 32 3.106 0.213 3.936
239 HE1 PHE 32 HE1 PHE 32 2.919 -1.971 -0.447
240 HE2 PHE 32 HE2 PHE 32 0.942 -0.505 3.026
241 HZ PHE 32 HZ PHE 32 0.860 -1.505 0.700
242 H THR 33 HN THR 33 7.328 1.182 3.888
243 HA THR 33 HA THR 33 9.974 0.431 3.167
244 HB THR 33 HB THR 33 10.151 2.954 4.275
245 HG1 THR 33 HG1 THR 33 7.759 2.942 4.380
246 HG21 THR 33 HG21 THR 33 9.554 2.048 1.468
247 HG22 THR 33 HG22 THR 33 11.133 2.104 2.225
248 HG23 THR 33 HG23 THR 33 10.250 3.607 1.914
249 H ASP 34 HN ASP 34 9.950 -1.239 4.873
250 HA ASP 34 HA ASP 34 11.973 -0.600 6.725
251 HB2 ASP 34 HB2 ASP 34 10.070 0.378 8.000
252 HB3 ASP 34 HB1 ASP 34 9.293 -1.200 8.003
253 H ASP 35 HN ASP 35 9.208 -2.753 6.472
254 HA ASP 35 HA ASP 35 10.802 -5.119 7.025
255 HB2 ASP 35 HB2 ASP 35 7.891 -4.619 6.562
256 HB3 ASP 35 HB1 ASP 35 8.447 -6.261 6.573
257 H LEU 36 HN LEU 36 9.028 -3.713 4.350
258 HA LEU 36 HA LEU 36 9.774 -5.874 2.562
259 HB2 LEU 36 HB2 LEU 36 8.429 -3.232 2.001
260 HB3 LEU 36 HB1 LEU 36 8.600 -4.534 0.847
261 HG LEU 36 HG LEU 36 6.962 -4.632 3.383
262 HD11 LEU 36 HD11 LEU 36 6.006 -3.159 1.706
263 HD12 LEU 36 HD12 LEU 36 5.048 -4.631 1.863
264 HD13 LEU 36 HD13 LEU 36 6.140 -4.431 0.491
265 HD21 LEU 36 HD21 LEU 36 6.114 -6.747 2.502
266 HD22 LEU 36 HD22 LEU 36 7.855 -6.822 2.769
267 HD23 LEU 36 HD23 LEU 36 7.220 -6.627 1.134
268 H ASP 37 HN ASP 37 10.352 -2.437 2.878
269 HA ASP 37 HA ASP 37 12.067 -1.109 2.527
270 HB2 ASP 37 HB2 ASP 37 13.764 -2.719 3.180
271 HB3 ASP 37 HB1 ASP 37 13.664 -3.514 1.608
272 H VAL 38 HN VAL 38 11.097 0.076 1.270
273 HA VAL 38 HA VAL 38 11.031 -0.563 -1.586
274 HB VAL 38 HB VAL 38 9.285 1.349 0.027
275 HG11 VAL 38 HG11 VAL 38 9.020 0.544 -2.871
276 HG12 VAL 38 HG12 VAL 38 9.499 2.131 -2.275
277 HG13 VAL 38 HG13 VAL 38 7.874 1.524 -1.958
278 HG21 VAL 38 HG21 VAL 38 8.827 -0.969 0.568
279 HG22 VAL 38 HG22 VAL 38 8.635 -1.353 -1.143
280 HG23 VAL 38 HG23 VAL 38 7.490 -0.269 -0.348
281 H ASP 39 HN ASP 39 10.541 2.677 -0.334
282 HA ASP 39 HA ASP 39 12.994 3.891 -0.459
283 HB2 ASP 39 HB2 ASP 39 12.635 3.117 -3.019
284 HB3 ASP 39 HB1 ASP 39 11.378 4.360 -2.909
285 H SER 40 HN SER 40 12.211 6.302 -1.198
286 HA SER 40 HA SER 40 9.826 6.754 0.448
287 HB2 SER 40 HB2 SER 40 11.789 8.080 1.068
288 HB3 SER 40 HB1 SER 40 11.894 8.718 -0.581
289 H LEU 41 HN LEU 41 11.267 7.364 -2.653
290 HA LEU 41 HA LEU 41 9.030 8.921 -3.550
291 HB2 LEU 41 HB2 LEU 41 11.361 7.849 -5.131
292 HB3 LEU 41 HB1 LEU 41 10.228 9.085 -5.652
293 HG LEU 41 HG LEU 41 12.271 9.303 -3.452
294 HD11 LEU 41 HD11 LEU 41 13.208 9.506 -5.650
295 HD12 LEU 41 HD12 LEU 41 13.216 11.070 -4.834
296 HD13 LEU 41 HD13 LEU 41 12.014 10.730 -6.078
297 HD21 LEU 41 HD21 LEU 41 11.511 11.640 -3.176
298 HD22 LEU 41 HD22 LEU 41 10.282 10.476 -2.724
299 HD23 LEU 41 HD23 LEU 41 10.165 11.320 -4.274
300 H SER 42 HN SER 42 10.222 5.662 -3.882
301 HA SER 42 HA SER 42 8.348 4.825 -5.813
302 HB2 SER 42 HB2 SER 42 9.838 3.221 -3.732
303 HB3 SER 42 HB1 SER 42 9.173 2.611 -5.244
304 HG SER 42 HG SER 42 10.696 3.605 -6.364
305 H MET 43 HN MET 43 8.344 5.318 -2.387
306 HA MET 43 HA MET 43 6.255 3.601 -1.608
307 HB2 MET 43 HB2 MET 43 7.817 4.632 -0.050
308 HB3 MET 43 HB1 MET 43 7.133 6.215 -0.404
309 HG2 MET 43 HG2 MET 43 6.337 5.168 1.687
310 HG3 MET 43 HG1 MET 43 5.071 5.632 0.539
311 HE1 MET 43 HE1 MET 43 6.626 1.321 0.702
312 HE2 MET 43 HE2 MET 43 7.270 2.573 1.768
313 HE3 MET 43 HE3 MET 43 7.453 2.724 0.023
314 H VAL 44 HN VAL 44 6.346 7.017 -2.518
315 HA VAL 44 HA VAL 44 3.594 7.406 -2.115
316 HB VAL 44 HB VAL 44 5.505 9.154 -3.689
317 HG11 VAL 44 HG11 VAL 44 2.911 9.813 -2.298
318 HG12 VAL 44 HG12 VAL 44 3.160 9.723 -4.040
319 HG13 VAL 44 HG13 VAL 44 3.975 10.971 -3.095
320 HG21 VAL 44 HG21 VAL 44 6.398 8.716 -1.483
321 HG22 VAL 44 HG22 VAL 44 4.874 9.147 -0.729
322 HG23 VAL 44 HG23 VAL 44 5.825 10.381 -1.566
323 H GLU 45 HN GLU 45 5.471 6.220 -4.783
324 HA GLU 45 HA GLU 45 3.554 6.623 -6.809
325 HB2 GLU 45 HB2 GLU 45 5.799 4.647 -6.465
326 HB3 GLU 45 HB1 GLU 45 4.834 4.777 -7.929
327 HG2 GLU 45 HG2 GLU 45 6.404 7.030 -6.742
328 HG3 GLU 45 HG1 GLU 45 7.026 5.952 -7.999
329 H VAL 46 HN VAL 46 4.243 4.072 -4.480
330 HA VAL 46 HA VAL 46 2.324 2.187 -5.321
331 HB VAL 46 HB VAL 46 3.362 2.708 -2.500
332 HG11 VAL 46 HG11 VAL 46 1.963 0.266 -3.604
333 HG12 VAL 46 HG12 VAL 46 1.289 1.413 -2.445
334 HG13 VAL 46 HG13 VAL 46 2.669 0.408 -1.993
335 HG21 VAL 46 HG21 VAL 46 5.146 2.165 -4.064
336 HG22 VAL 46 HG22 VAL 46 4.271 0.727 -4.586
337 HG23 VAL 46 HG23 VAL 46 4.884 0.836 -2.935
338 H VAL 47 HN VAL 47 2.176 4.831 -3.028
339 HA VAL 47 HA VAL 47 -0.453 4.671 -2.130
340 HB VAL 47 HB VAL 47 1.068 7.209 -2.809
341 HG11 VAL 47 HG11 VAL 47 -1.128 6.715 -0.814
342 HG12 VAL 47 HG12 VAL 47 -1.272 7.612 -2.325
343 HG13 VAL 47 HG13 VAL 47 -0.253 8.230 -1.027
344 HG21 VAL 47 HG21 VAL 47 1.877 7.156 -0.497
345 HG22 VAL 47 HG22 VAL 47 2.430 5.758 -1.419
346 HG23 VAL 47 HG23 VAL 47 1.104 5.587 -0.270
347 H VAL 48 HN VAL 48 0.684 6.862 -4.699
348 HA VAL 48 HA VAL 48 -1.689 7.576 -5.897
349 HB VAL 48 HB VAL 48 0.925 7.029 -7.351
350 HG11 VAL 48 HG11 VAL 48 0.122 8.634 -9.020
351 HG12 VAL 48 HG12 VAL 48 -1.415 8.753 -8.166
352 HG13 VAL 48 HG13 VAL 48 -0.940 7.230 -8.915
353 HG21 VAL 48 HG21 VAL 48 1.191 8.594 -5.515
354 HG22 VAL 48 HG22 VAL 48 -0.153 9.560 -6.128
355 HG23 VAL 48 HG23 VAL 48 1.337 9.420 -7.066
356 H ALA 49 HN ALA 49 0.274 4.733 -6.868
357 HA ALA 49 HA ALA 49 -1.501 3.864 -8.865
358 HB1 ALA 49 HB1 ALA 49 0.483 2.196 -7.328
359 HB2 ALA 49 HB2 ALA 49 0.849 3.166 -8.756
360 HB3 ALA 49 HB3 ALA 49 -0.246 1.791 -8.883
361 H ALA 50 HN ALA 50 -1.415 3.166 -5.412
362 HA ALA 50 HA ALA 50 -3.238 1.019 -5.412
363 HB1 ALA 50 HB1 ALA 50 -1.849 1.590 -3.476
364 HB2 ALA 50 HB2 ALA 50 -3.559 1.496 -3.054
365 HB3 ALA 50 HB3 ALA 50 -2.784 3.068 -3.249
366 H GLU 51 HN GLU 51 -3.701 4.494 -5.369
367 HA GLU 51 HA GLU 51 -6.449 4.580 -4.883
368 HB2 GLU 51 HB2 GLU 51 -4.830 6.329 -6.714
369 HB3 GLU 51 HB1 GLU 51 -6.376 6.722 -5.982
370 HG2 GLU 51 HG2 GLU 51 -5.349 6.671 -3.783
371 HG3 GLU 51 HG1 GLU 51 -3.799 6.265 -4.529
372 H GLU 52 HN GLU 52 -4.603 4.369 -7.835
373 HA GLU 52 HA GLU 52 -6.720 4.289 -9.702
374 HB2 GLU 52 HB2 GLU 52 -4.429 4.873 -10.288
375 HB3 GLU 52 HB1 GLU 52 -3.876 3.278 -9.823
376 HG2 GLU 52 HG2 GLU 52 -5.174 2.316 -11.671
377 HG3 GLU 52 HG1 GLU 52 -5.673 3.941 -12.145
378 H ARG 53 HN ARG 53 -5.004 1.839 -7.904
379 HA ARG 53 HA ARG 53 -5.953 -0.410 -9.375
380 HB2 ARG 53 HB2 ARG 53 -3.799 -0.452 -8.286
381 HB3 ARG 53 HB1 ARG 53 -4.537 -0.145 -6.727
382 HG2 ARG 53 HG2 ARG 53 -3.842 -2.461 -6.959
383 HG3 ARG 53 HG1 ARG 53 -5.593 -2.337 -6.779
384 HD2 ARG 53 HD2 ARG 53 -5.850 -2.584 -9.193
385 HD3 ARG 53 HD1 ARG 53 -4.095 -2.690 -9.363
386 HE ARG 53 HE ARG 53 -4.128 -4.798 -8.350
387 HH11 ARG 53 HH11 ARG 53 -7.443 -3.537 -8.655
388 HH12 ARG 53 HH12 ARG 53 -8.141 -5.078 -8.613
389 HH21 ARG 53 HH21 ARG 53 -5.053 -6.783 -8.264
390 HH22 ARG 53 HH22 ARG 53 -6.754 -7.034 -8.369
391 H PHE 54 HN PHE 54 -6.893 1.233 -6.451
392 HA PHE 54 HA PHE 54 -8.917 -0.826 -6.015
393 HB2 PHE 54 HB2 PHE 54 -7.793 1.210 -4.122
394 HB3 PHE 54 HB1 PHE 54 -9.042 0.034 -3.734
395 HD1 PHE 54 HD1 PHE 54 -8.197 -2.434 -4.784
396 HD2 PHE 54 HD2 PHE 54 -5.800 0.671 -3.134
397 HE1 PHE 54 HE1 PHE 54 -6.457 -4.072 -4.223
398 HE2 PHE 54 HE2 PHE 54 -4.090 -0.979 -2.549
399 HZ PHE 54 HZ PHE 54 -4.385 -3.306 -3.137
400 H ASP 55 HN ASP 55 -8.732 2.044 -7.486
401 HA ASP 55 HA ASP 55 -10.246 3.533 -8.274
402 HB2 ASP 55 HB2 ASP 55 -11.680 1.390 -8.446
403 HB3 ASP 55 HB1 ASP 55 -12.387 1.872 -6.929
404 H VAL 56 HN VAL 56 -9.089 3.664 -5.591
405 HA VAL 56 HA VAL 56 -11.085 5.306 -4.186
406 HB VAL 56 HB VAL 56 -9.752 4.954 -2.090
407 HG11 VAL 56 HG11 VAL 56 -10.667 2.409 -3.391
408 HG12 VAL 56 HG12 VAL 56 -11.673 3.571 -2.512
409 HG13 VAL 56 HG13 VAL 56 -10.403 2.688 -1.664
410 HG21 VAL 56 HG21 VAL 56 -7.578 4.493 -3.105
411 HG22 VAL 56 HG22 VAL 56 -8.199 2.984 -3.769
412 HG23 VAL 56 HG23 VAL 56 -8.058 3.186 -2.023
413 H LYS 57 HN LYS 57 -9.634 6.771 -2.510
414 HA LYS 57 HA LYS 57 -7.525 8.084 -3.997
415 HB2 LYS 57 HB2 LYS 57 -9.870 9.403 -2.613
416 HB3 LYS 57 HB1 LYS 57 -8.397 10.274 -2.990
417 HG2 LYS 57 HG2 LYS 57 -10.284 8.976 -4.958
418 HG3 LYS 57 HG1 LYS 57 -10.083 10.707 -4.672
419 HD2 LYS 57 HD2 LYS 57 -7.907 8.860 -5.680
420 HD3 LYS 57 HD1 LYS 57 -8.904 9.889 -6.700
421 HE2 LYS 57 HE2 LYS 57 -7.963 11.867 -5.800
422 HE3 LYS 57 HE1 LYS 57 -7.233 11.002 -4.451
423 HZ1 LYS 57 HZ1 LYS 57 -5.679 11.636 -6.329
424 HZ2 LYS 57 HZ2 LYS 57 -6.449 10.432 -7.249
425 HZ3 LYS 57 HZ3 LYS 57 -5.680 10.041 -5.793
426 H ILE 58 HN ILE 58 -5.796 8.324 -2.859
427 HA ILE 58 HA ILE 58 -5.907 8.209 0.064
428 HB ILE 58 HB ILE 58 -3.902 6.589 -1.564
429 HG12 ILE 58 HG12 ILE 58 -6.275 5.504 -0.023
430 HG13 ILE 58 HG11 ILE 58 -6.225 5.659 -1.775
431 HG21 ILE 58 HG21 ILE 58 -3.370 5.562 0.618
432 HG22 ILE 58 HG22 ILE 58 -4.562 6.597 1.391
433 HG23 ILE 58 HG23 ILE 58 -3.129 7.310 0.652
434 HD11 ILE 58 HD11 ILE 58 -4.362 4.098 -1.859
435 HD12 ILE 58 HD12 ILE 58 -5.767 3.386 -1.064
436 HD13 ILE 58 HD13 ILE 58 -4.401 3.954 -0.103
437 HA PRO 59 HA PRO 59 -3.277 11.587 -1.432
438 HB2 PRO 59 HB2 PRO 59 -3.495 13.106 0.810
439 HB3 PRO 59 HB1 PRO 59 -4.739 13.064 -0.444
440 HG2 PRO 59 HG2 PRO 59 -4.644 11.640 2.181
441 HG3 PRO 59 HG1 PRO 59 -6.010 12.451 1.395
442 HD2 PRO 59 HD2 PRO 59 -5.647 9.759 1.355
443 HD3 PRO 59 HD1 PRO 59 -6.467 10.647 0.055
444 H ASP 60 HN ASP 60 -1.085 11.743 -1.243
445 HA ASP 60 HA ASP 60 0.504 10.186 0.363
446 HB2 ASP 60 HB2 ASP 60 2.382 11.463 -0.412
447 HB3 ASP 60 HB1 ASP 60 1.231 11.360 -1.732
448 H ASP 61 HN ASP 61 -1.084 13.054 1.187
449 HA ASP 61 HA ASP 61 0.507 13.844 3.421
450 HB2 ASP 61 HB2 ASP 61 -0.978 15.436 2.372
451 HB3 ASP 61 HB1 ASP 61 -2.368 14.411 2.697
452 H ASP 62 HN ASP 62 -2.438 11.872 3.084
453 HA ASP 62 HA ASP 62 -2.582 11.451 5.976
454 HB2 ASP 62 HB2 ASP 62 -4.615 11.874 4.522
455 HB3 ASP 62 HB1 ASP 62 -4.325 10.299 3.797
456 H VAL 63 HN VAL 63 -1.654 9.813 3.127
457 HA VAL 63 HA VAL 63 -1.738 7.170 3.928
458 HB VAL 63 HB VAL 63 -1.232 8.150 1.618
459 HG11 VAL 63 HG11 VAL 63 1.590 8.058 2.639
460 HG12 VAL 63 HG12 VAL 63 0.688 9.489 2.136
461 HG13 VAL 63 HG13 VAL 63 1.111 8.250 0.952
462 HG21 VAL 63 HG21 VAL 63 0.288 5.771 2.607
463 HG22 VAL 63 HG22 VAL 63 -0.012 6.164 0.914
464 HG23 VAL 63 HG23 VAL 63 -1.367 5.811 1.992
465 H LYS 64 HN LYS 64 0.359 9.626 4.930
466 HA LYS 64 HA LYS 64 2.625 8.236 5.606
467 HB2 LYS 64 HB2 LYS 64 1.507 10.715 6.890
468 HB3 LYS 64 HB1 LYS 64 3.163 10.145 7.049
469 HG2 LYS 64 HG2 LYS 64 3.450 10.397 4.599
470 HG3 LYS 64 HG1 LYS 64 1.825 11.049 4.486
471 HD2 LYS 64 HD2 LYS 64 2.464 12.862 6.033
472 HD3 LYS 64 HD1 LYS 64 4.107 12.220 6.073
473 HE2 LYS 64 HE2 LYS 64 2.660 13.230 3.624
474 HE3 LYS 64 HE1 LYS 64 3.898 14.107 4.518
475 HZ1 LYS 64 HZ1 LYS 64 4.293 11.542 3.053
476 HZ2 LYS 64 HZ2 LYS 64 5.473 12.345 3.936
477 HZ3 LYS 64 HZ3 LYS 64 4.793 13.071 2.554
478 H ASN 65 HN ASN 65 -0.443 8.160 7.073
479 HA ASN 65 HA ASN 65 0.537 7.297 9.688
480 HB2 ASN 65 HB2 ASN 65 -2.298 7.616 8.678
481 HB3 ASN 65 HB1 ASN 65 -1.854 7.152 10.312
482 HD21 ASN 65 HD21 ASN 65 -2.076 9.716 8.020
483 HD22 ASN 65 HD22 ASN 65 -1.799 11.008 9.139
484 H LEU 66 HN LEU 66 -0.006 5.860 6.735
485 HA LEU 66 HA LEU 66 -1.346 3.513 7.709
486 HB2 LEU 66 HB2 LEU 66 0.005 3.941 5.038
487 HB3 LEU 66 HB1 LEU 66 -1.029 2.588 5.456
488 HG LEU 66 HG LEU 66 -1.870 5.472 5.143
489 HD11 LEU 66 HD11 LEU 66 -3.243 4.600 3.329
490 HD12 LEU 66 HD12 LEU 66 -2.540 3.002 3.578
491 HD13 LEU 66 HD13 LEU 66 -1.524 4.340 3.047
492 HD21 LEU 66 HD21 LEU 66 -3.490 3.076 5.937
493 HD22 LEU 66 HD22 LEU 66 -4.148 4.644 5.514
494 HD23 LEU 66 HD23 LEU 66 -3.123 4.469 6.953
495 H LYS 67 HN LYS 67 1.770 3.688 5.980
496 HA LYS 67 HA LYS 67 3.848 2.968 6.479
497 HB2 LYS 67 HB2 LYS 67 2.697 2.271 9.166
498 HB3 LYS 67 HB1 LYS 67 4.377 2.015 8.732
499 HG2 LYS 67 HG2 LYS 67 4.757 4.344 8.536
500 HG3 LYS 67 HG1 LYS 67 3.027 4.692 8.658
501 HD2 LYS 67 HD2 LYS 67 4.495 3.212 10.760
502 HD3 LYS 67 HD1 LYS 67 4.451 4.994 10.790
503 HE2 LYS 67 HE2 LYS 67 1.945 4.804 10.751
504 HE3 LYS 67 HE1 LYS 67 2.124 3.055 10.878
505 HZ1 LYS 67 HZ1 LYS 67 3.039 5.038 12.905
506 HZ2 LYS 67 HZ2 LYS 67 3.218 3.370 13.017
507 HZ3 LYS 67 HZ3 LYS 67 1.670 4.063 13.003
508 H THR 68 HN THR 68 1.362 0.749 7.558
509 HA THR 68 HA THR 68 3.060 -1.403 6.572
510 HB THR 68 HB THR 68 1.591 -2.963 7.796
511 HG1 THR 68 HG1 THR 68 0.232 -2.038 9.434
512 HG21 THR 68 HG21 THR 68 2.907 -0.816 9.435
513 HG22 THR 68 HG22 THR 68 3.648 -2.251 8.696
514 HG23 THR 68 HG23 THR 68 2.469 -2.448 9.997
515 H VAL 69 HN VAL 69 2.117 -3.119 5.569
516 HA VAL 69 HA VAL 69 0.426 -2.468 3.429
517 HB VAL 69 HB VAL 69 0.367 -5.034 3.214
518 HG11 VAL 69 HG11 VAL 69 3.044 -3.609 3.336
519 HG12 VAL 69 HG12 VAL 69 1.949 -3.579 1.954
520 HG13 VAL 69 HG13 VAL 69 2.722 -5.089 2.431
521 HG21 VAL 69 HG21 VAL 69 2.395 -4.727 5.388
522 HG22 VAL 69 HG22 VAL 69 2.084 -6.201 4.467
523 HG23 VAL 69 HG23 VAL 69 0.831 -5.530 5.513
524 H GLY 70 HN GLY 70 -0.127 -3.831 6.595
525 HA2 GLY 70 HA2 GLY 70 -2.804 -4.673 6.092
526 HA3 GLY 70 HA1 GLY 70 -2.032 -4.532 7.666
527 H ASP 71 HN ASP 71 -1.294 -1.800 7.530
528 HA ASP 71 HA ASP 71 -3.795 -0.669 8.312
529 HB2 ASP 71 HB2 ASP 71 -1.487 -0.149 9.302
530 HB3 ASP 71 HB1 ASP 71 -1.237 0.854 7.883
531 H ALA 72 HN ALA 72 -1.658 -0.392 5.522
532 HA ALA 72 HA ALA 72 -2.903 1.671 4.149
533 HB1 ALA 72 HB1 ALA 72 -1.999 0.653 2.105
534 HB2 ALA 72 HB2 ALA 72 -1.690 -0.844 2.983
535 HB3 ALA 72 HB3 ALA 72 -0.806 0.622 3.405
536 H THR 73 HN THR 73 -3.495 -1.859 3.636
537 HA THR 73 HA THR 73 -5.768 -1.893 2.300
538 HB THR 73 HB THR 73 -4.939 -3.519 4.679
539 HG1 THR 73 HG1 THR 73 -3.412 -3.940 3.257
540 HG21 THR 73 HG21 THR 73 -6.357 -5.279 3.698
541 HG22 THR 73 HG22 THR 73 -6.877 -4.137 2.450
542 HG23 THR 73 HG23 THR 73 -7.308 -3.853 4.129
543 H LYS 74 HN LYS 74 -5.567 -1.523 5.887
544 HA LYS 74 HA LYS 74 -8.266 -1.499 6.432
545 HB2 LYS 74 HB2 LYS 74 -6.582 -1.791 8.127
546 HB3 LYS 74 HB1 LYS 74 -5.938 -0.190 7.827
547 HG2 LYS 74 HG2 LYS 74 -7.792 0.849 8.851
548 HG3 LYS 74 HG1 LYS 74 -8.718 -0.655 8.858
549 HD2 LYS 74 HD2 LYS 74 -7.828 -0.196 11.096
550 HD3 LYS 74 HD1 LYS 74 -7.121 -1.645 10.370
551 HE2 LYS 74 HE2 LYS 74 -5.401 -0.362 11.515
552 HE3 LYS 74 HE1 LYS 74 -5.113 -0.393 9.781
553 HZ1 LYS 74 HZ1 LYS 74 -4.710 1.748 10.721
554 HZ2 LYS 74 HZ2 LYS 74 -6.319 1.861 11.295
555 HZ3 LYS 74 HZ3 LYS 74 -6.002 1.871 9.636
556 H TYR 75 HN TYR 75 -6.208 1.144 5.308
557 HA TYR 75 HA TYR 75 -8.157 3.186 5.751
558 HB2 TYR 75 HB2 TYR 75 -5.751 3.684 5.586
559 HB3 TYR 75 HB1 TYR 75 -5.748 3.113 3.925
560 HD1 TYR 75 HD1 TYR 75 -6.853 5.806 6.174
561 HD2 TYR 75 HD2 TYR 75 -6.537 4.522 2.132
562 HE1 TYR 75 HE1 TYR 75 -7.334 8.097 5.404
563 HE2 TYR 75 HE2 TYR 75 -7.032 6.797 1.363
564 HH TYR 75 HH TYR 75 -7.014 9.461 3.517
565 H ILE 76 HN ILE 76 -7.136 1.148 3.112
566 HA ILE 76 HA ILE 76 -8.782 2.336 1.111
567 HB ILE 76 HB ILE 76 -7.524 -0.426 1.225
568 HG12 ILE 76 HG12 ILE 76 -6.455 2.094 -0.051
569 HG13 ILE 76 HG11 ILE 76 -5.973 1.531 1.540
570 HG21 ILE 76 HG21 ILE 76 -7.680 -0.329 -1.230
571 HG22 ILE 76 HG22 ILE 76 -8.483 1.235 -1.120
572 HG23 ILE 76 HG23 ILE 76 -9.275 -0.210 -0.490
573 HD11 ILE 76 HD11 ILE 76 -4.341 0.946 -0.152
574 HD12 ILE 76 HD12 ILE 76 -5.573 0.065 -1.054
575 HD13 ILE 76 HD13 ILE 76 -5.071 -0.500 0.541
576 H LEU 77 HN LEU 77 -9.075 -0.487 3.154
577 HA LEU 77 HA LEU 77 -11.527 -1.504 2.357
578 HB2 LEU 77 HB2 LEU 77 -10.065 -2.609 3.948
579 HB3 LEU 77 HB1 LEU 77 -10.285 -1.314 5.103
580 HG LEU 77 HG LEU 77 -12.676 -1.978 5.306
581 HD11 LEU 77 HD11 LEU 77 -11.837 -4.316 3.632
582 HD12 LEU 77 HD12 LEU 77 -12.970 -3.044 3.170
583 HD13 LEU 77 HD13 LEU 77 -13.370 -4.148 4.486
584 HD21 LEU 77 HD21 LEU 77 -12.251 -3.972 6.637
585 HD22 LEU 77 HD22 LEU 77 -11.025 -2.734 6.912
586 HD23 LEU 77 HD23 LEU 77 -10.660 -4.127 5.894
587 H ASP 78 HN ASP 78 -10.764 1.230 4.316
588 HA ASP 78 HA ASP 78 -13.530 1.686 5.145
589 HB2 ASP 78 HB2 ASP 78 -11.763 2.116 6.778
590 HB3 ASP 78 HB1 ASP 78 -11.005 3.260 5.682
591 H HIS 79 HN HIS 79 -11.113 3.095 3.068
592 HA HIS 79 HA HIS 79 -12.732 5.388 2.418
593 HB2 HIS 79 HB2 HIS 79 -10.041 4.973 2.594
594 HB3 HIS 79 HB1 HIS 79 -10.315 5.014 0.854
595 HD1 HIS 79 HD1 HIS 79 -11.139 7.267 -0.159
596 HD2 HIS 79 HD2 HIS 79 -10.541 7.278 3.928
597 HE1 HIS 79 HE1 HIS 79 -11.064 9.688 0.467
598 HE2 HIS 79 HE2 HIS 79 -10.650 9.707 2.950
599 H GLN 80 HN GLN 80 -12.839 2.354 1.331
600 HA GLN 80 HA GLN 80 -12.913 2.149 -1.348
601 HB2 GLN 80 HB2 GLN 80 -14.934 1.382 0.669
602 HB3 GLN 80 HB1 GLN 80 -15.119 0.834 -1.015
603 HG2 GLN 80 HG2 GLN 80 -12.962 0.215 0.996
604 HG3 GLN 80 HG1 GLN 80 -14.178 -0.892 0.370
605 HE21 GLN 80 HE21 GLN 80 -11.307 -1.042 0.367
606 HE22 GLN 80 HE22 GLN 80 -10.798 -1.222 -1.265
607 H ALA 81 HN ALA 81 -13.871 3.095 -3.057
608 HA ALA 81 HA ALA 81 -15.153 5.558 -2.791
609 HB1 ALA 81 HB1 ALA 81 -15.371 5.500 -5.203
610 HB2 ALA 81 HB2 ALA 81 -14.997 3.775 -5.210
611 HB3 ALA 81 HB3 ALA 81 -13.772 4.941 -4.710
612 H2 SHW 101 H2A SHW 101 2.244 5.795 2.884
613 H2A SHW 101 H2B SHW 101 3.321 4.766 1.965
614 H3 SHW 101 H3A SHW 101 1.992 4.007 4.579
615 HO3 SHW 101 HO3 SHW 101 4.096 2.935 3.153
616 H4 SHW 101 H4A SHW 101 0.464 3.950 2.686
617 H4A SHW 101 H4B SHW 101 0.850 2.317 3.207
618 H5 SHW 101 H5A SHW 101 2.483 2.151 1.349
619 H5A SHW 101 H5B SHW 101 1.962 3.741 0.793
620 H6 SHW 101 H6A SHW 101 0.199 1.305 1.053
621 H6A SHW 101 H6B SHW 101 0.849 1.951 -0.455
622 H7 SHW 101 H7A SHW 101 -0.410 3.994 -0.183
623 H7A SHW 101 H7B SHW 101 -0.990 3.452 1.404
624 H8 SHW 101 H8C SHW 101 -1.513 2.108 -1.237
625 H8A SHW 101 H8A SHW 101 -2.659 3.096 -0.333
626 H8B SHW 101 H8B SHW 101 -2.097 1.567 0.339
627 H28 SHW 101 H28A SHW 101 10.269 10.137 3.738
628 H28A SHW 101 H28B SHW 101 10.774 8.639 2.974
629 H30 SHW 101 H30A SHW 101 13.022 7.652 3.494
630 H30A SHW 101 H30B SHW 101 14.034 8.379 4.740
631 H30B SHW 101 H30C SHW 101 13.797 9.209 3.200
632 H31 SHW 101 H31A SHW 101 13.246 10.416 5.961
633 H31A SHW 101 H31B SHW 101 11.686 11.132 5.557
634 H31B SHW 101 H31C SHW 101 13.027 11.240 4.417
635 H32 SHW 101 H32A SHW 101 12.120 8.160 6.420
636 HO33 SHW 101 H33A SHW 101 9.849 8.499 6.818
637 HN36 SHW 101 H36A SHW 101 10.199 6.805 6.947
638 H37 SHW 101 H37A SHW 101 9.037 5.069 4.948
639 H37A SHW 101 H37B SHW 101 10.421 4.352 5.743
640 H38 SHW 101 H38A SHW 101 8.530 3.579 6.860
641 H38A SHW 101 H38B SHW 101 9.315 4.736 7.959
642 HN41 SHW 101 H41A SHW 101 7.657 6.183 5.359
643 H42 SHW 101 H42A SHW 101 5.050 6.043 6.012
644 H42A SHW 101 H42B SHW 101 5.678 7.477 6.880
645 H43 SHW 101 H43A SHW 101 6.343 6.964 4.018
646 H43A SHW 101 H43B SHW 101 5.960 8.563 4.741
Start of MODEL 17
1 H1 ALA 1 HT1 ALA 1 -16.668 -1.347 -0.557
2 H2 ALA 1 HT2 ALA 1 -17.504 -0.808 0.791
3 H3 ALA 1 HT3 ALA 1 -17.946 -2.253 -0.002
4 HA ALA 1 HA ALA 1 -15.354 -1.778 1.348
5 HB1 ALA 1 HB1 ALA 1 -16.077 -3.497 2.946
6 HB2 ALA 1 HB2 ALA 1 -17.642 -3.590 2.137
7 HB3 ALA 1 HB3 ALA 1 -17.168 -2.109 2.968
8 H ALA 2 HN ALA 2 -13.916 -3.680 1.229
9 HA ALA 2 HA ALA 2 -14.595 -5.376 -1.046
10 HB1 ALA 2 HB1 ALA 2 -13.045 -3.625 -1.770
11 HB2 ALA 2 HB2 ALA 2 -12.228 -5.189 -1.720
12 HB3 ALA 2 HB3 ALA 2 -11.965 -4.017 -0.428
13 H THR 3 HN THR 3 -12.503 -7.089 -0.949
14 HA THR 3 HA THR 3 -12.643 -8.070 1.775
15 HB THR 3 HB THR 3 -11.717 -9.469 -0.761
16 HG1 THR 3 HG1 THR 3 -13.805 -9.567 -1.090
17 HG21 THR 3 HG21 THR 3 -12.395 -10.425 1.991
18 HG22 THR 3 HG22 THR 3 -10.771 -10.295 1.321
19 HG23 THR 3 HG23 THR 3 -11.922 -11.476 0.645
20 H GLN 4 HN GLN 4 -10.972 -7.696 2.977
21 HA GLN 4 HA GLN 4 -8.797 -6.126 2.507
22 HB2 GLN 4 HB2 GLN 4 -8.955 -8.454 4.395
23 HB3 GLN 4 HB1 GLN 4 -7.733 -7.194 4.437
24 HG2 GLN 4 HG2 GLN 4 -9.469 -5.523 4.883
25 HG3 GLN 4 HG1 GLN 4 -10.677 -6.783 4.771
26 HE21 GLN 4 HE21 GLN 4 -7.650 -7.601 6.270
27 HE22 GLN 4 HE22 GLN 4 -8.253 -7.655 7.878
28 H GLU 5 HN GLU 5 -9.010 -9.526 2.004
29 HA GLU 5 HA GLU 5 -6.273 -10.219 1.639
30 HB2 GLU 5 HB2 GLU 5 -8.706 -11.523 0.431
31 HB3 GLU 5 HB1 GLU 5 -7.123 -12.255 0.660
32 HG2 GLU 5 HG2 GLU 5 -7.371 -12.139 3.051
33 HG3 GLU 5 HG1 GLU 5 -8.910 -11.298 2.874
34 H GLU 6 HN GLU 6 -8.744 -9.025 -0.516
35 HA GLU 6 HA GLU 6 -7.192 -9.423 -2.870
36 HB2 GLU 6 HB2 GLU 6 -9.611 -9.605 -2.945
37 HB3 GLU 6 HB1 GLU 6 -9.771 -7.948 -2.393
38 HG2 GLU 6 HG2 GLU 6 -8.777 -7.137 -4.437
39 HG3 GLU 6 HG1 GLU 6 -8.511 -8.791 -4.986
40 H ILE 7 HN ILE 7 -7.862 -6.937 -0.589
41 HA ILE 7 HA ILE 7 -6.871 -4.739 -2.069
42 HB ILE 7 HB ILE 7 -6.956 -5.114 0.926
43 HG12 ILE 7 HG12 ILE 7 -9.149 -4.231 -0.982
44 HG13 ILE 7 HG11 ILE 7 -9.119 -5.623 0.055
45 HG21 ILE 7 HG21 ILE 7 -5.663 -3.174 0.174
46 HG22 ILE 7 HG22 ILE 7 -7.158 -2.643 0.947
47 HG23 ILE 7 HG23 ILE 7 -7.021 -2.632 -0.810
48 HD11 ILE 7 HD11 ILE 7 -10.569 -3.886 0.946
49 HD12 ILE 7 HD12 ILE 7 -9.192 -2.790 1.055
50 HD13 ILE 7 HD13 ILE 7 -9.235 -4.256 2.038
51 H VAL 8 HN VAL 8 -5.503 -6.697 0.575
52 HA VAL 8 HA VAL 8 -2.892 -5.776 0.404
53 HB VAL 8 HB VAL 8 -3.893 -8.523 1.272
54 HG11 VAL 8 HG11 VAL 8 -1.549 -8.642 0.689
55 HG12 VAL 8 HG12 VAL 8 -1.784 -8.773 2.437
56 HG13 VAL 8 HG13 VAL 8 -1.200 -7.258 1.730
57 HG21 VAL 8 HG21 VAL 8 -3.665 -7.594 3.510
58 HG22 VAL 8 HG22 VAL 8 -4.779 -6.635 2.528
59 HG23 VAL 8 HG23 VAL 8 -3.149 -6.058 2.814
60 H ALA 9 HN ALA 9 -4.560 -8.185 -1.515
61 HA ALA 9 HA ALA 9 -2.337 -9.260 -2.835
62 HB1 ALA 9 HB1 ALA 9 -4.518 -10.374 -2.860
63 HB2 ALA 9 HB2 ALA 9 -3.936 -10.089 -4.502
64 HB3 ALA 9 HB3 ALA 9 -5.187 -9.052 -3.818
65 H GLY 10 HN GLY 10 -4.513 -6.568 -3.517
66 HA2 GLY 10 HA2 GLY 10 -3.446 -5.849 -6.036
67 HA3 GLY 10 HA1 GLY 10 -4.398 -4.821 -4.964
68 H LEU 11 HN LEU 11 -2.881 -4.750 -2.757
69 HA LEU 11 HA LEU 11 -0.957 -2.801 -3.294
70 HB2 LEU 11 HB2 LEU 11 -1.313 -4.586 -0.907
71 HB3 LEU 11 HB1 LEU 11 -0.149 -3.281 -0.977
72 HG LEU 11 HG LEU 11 -3.139 -2.943 -1.208
73 HD11 LEU 11 HD11 LEU 11 -2.967 -1.991 1.034
74 HD12 LEU 11 HD12 LEU 11 -1.249 -2.399 1.075
75 HD13 LEU 11 HD13 LEU 11 -2.461 -3.679 1.008
76 HD21 LEU 11 HD21 LEU 11 -2.633 -0.560 -0.947
77 HD22 LEU 11 HD22 LEU 11 -1.872 -1.216 -2.395
78 HD23 LEU 11 HD23 LEU 11 -0.908 -0.922 -0.945
79 H ALA 12 HN ALA 12 -0.620 -6.254 -2.693
80 HA ALA 12 HA ALA 12 2.140 -6.463 -2.748
81 HB1 ALA 12 HB1 ALA 12 0.621 -8.264 -2.065
82 HB2 ALA 12 HB2 ALA 12 1.783 -8.814 -3.266
83 HB3 ALA 12 HB3 ALA 12 0.121 -8.469 -3.741
84 H GLU 13 HN GLU 13 -0.187 -6.464 -5.370
85 HA GLU 13 HA GLU 13 1.588 -6.945 -7.545
86 HB2 GLU 13 HB2 GLU 13 -0.818 -5.137 -7.562
87 HB3 GLU 13 HB1 GLU 13 -0.057 -5.881 -8.955
88 HG2 GLU 13 HG2 GLU 13 -1.448 -7.297 -6.741
89 HG3 GLU 13 HG1 GLU 13 -2.119 -6.914 -8.337
90 H ILE 14 HN ILE 14 0.361 -4.015 -6.225
91 HA ILE 14 HA ILE 14 1.624 -2.183 -7.742
92 HB ILE 14 HB ILE 14 0.786 -2.090 -4.850
93 HG12 ILE 14 HG12 ILE 14 -0.531 -0.918 -7.288
94 HG13 ILE 14 HG11 ILE 14 -0.874 -2.538 -6.690
95 HG21 ILE 14 HG21 ILE 14 0.820 0.352 -5.023
96 HG22 ILE 14 HG22 ILE 14 1.543 0.207 -6.632
97 HG23 ILE 14 HG23 ILE 14 2.431 -0.354 -5.213
98 HD11 ILE 14 HD11 ILE 14 -1.281 0.032 -5.177
99 HD12 ILE 14 HD12 ILE 14 -1.603 -1.613 -4.596
100 HD13 ILE 14 HD13 ILE 14 -2.534 -0.962 -5.944
101 H VAL 15 HN VAL 15 2.598 -3.478 -4.596
102 HA VAL 15 HA VAL 15 5.065 -2.170 -4.351
103 HB VAL 15 HB VAL 15 4.068 -4.723 -3.066
104 HG11 VAL 15 HG11 VAL 15 6.516 -4.667 -2.965
105 HG12 VAL 15 HG12 VAL 15 5.805 -4.404 -1.372
106 HG13 VAL 15 HG13 VAL 15 6.453 -3.039 -2.285
107 HG21 VAL 15 HG21 VAL 15 4.215 -1.896 -2.078
108 HG22 VAL 15 HG22 VAL 15 3.679 -3.289 -1.137
109 HG23 VAL 15 HG23 VAL 15 2.761 -2.772 -2.551
110 H ASN 16 HN ASN 16 4.225 -5.282 -5.799
111 HA ASN 16 HA ASN 16 6.862 -6.205 -6.171
112 HB2 ASN 16 HB2 ASN 16 4.629 -7.438 -6.551
113 HB3 ASN 16 HB1 ASN 16 4.673 -6.682 -8.143
114 HD21 ASN 16 HD21 ASN 16 7.313 -8.021 -6.181
115 HD22 ASN 16 HD22 ASN 16 7.854 -9.158 -7.347
116 H GLU 17 HN GLU 17 4.740 -4.221 -8.049
117 HA GLU 17 HA GLU 17 6.372 -3.934 -10.334
118 HB2 GLU 17 HB2 GLU 17 3.974 -3.653 -10.380
119 HB3 GLU 17 HB1 GLU 17 4.072 -2.333 -9.232
120 HG2 GLU 17 HG2 GLU 17 3.650 -1.538 -11.427
121 HG3 GLU 17 HG1 GLU 17 5.247 -0.987 -10.897
122 H ILE 18 HN ILE 18 5.517 -1.603 -7.817
123 HA ILE 18 HA ILE 18 7.385 0.354 -8.815
124 HB ILE 18 HB ILE 18 5.643 0.413 -6.328
125 HG12 ILE 18 HG12 ILE 18 5.235 1.710 -8.984
126 HG13 ILE 18 HG11 ILE 18 4.510 0.140 -8.592
127 HG21 ILE 18 HG21 ILE 18 7.087 2.620 -7.798
128 HG22 ILE 18 HG22 ILE 18 7.482 1.989 -6.193
129 HG23 ILE 18 HG23 ILE 18 5.958 2.836 -6.455
130 HD11 ILE 18 HD11 ILE 18 3.326 1.264 -6.754
131 HD12 ILE 18 HD12 ILE 18 2.933 1.938 -8.336
132 HD13 ILE 18 HD13 ILE 18 4.044 2.792 -7.262
133 H ALA 19 HN ALA 19 7.116 -1.411 -5.749
134 HA ALA 19 HA ALA 19 9.565 -0.291 -4.728
135 HB1 ALA 19 HB1 ALA 19 7.748 -0.884 -3.242
136 HB2 ALA 19 HB2 ALA 19 9.195 -1.809 -2.848
137 HB3 ALA 19 HB3 ALA 19 7.870 -2.573 -3.728
138 H GLY 20 HN GLY 20 8.515 -3.146 -6.397
139 HA2 GLY 20 HA2 GLY 20 9.639 -4.820 -7.450
140 HA3 GLY 20 HA1 GLY 20 11.169 -4.084 -7.020
141 H ILE 21 HN ILE 21 8.515 -5.099 -4.966
142 HA ILE 21 HA ILE 21 10.362 -6.952 -3.623
143 HB ILE 21 HB ILE 21 8.084 -5.352 -2.400
144 HG12 ILE 21 HG12 ILE 21 9.989 -3.912 -2.859
145 HG13 ILE 21 HG11 ILE 21 9.850 -4.173 -1.128
146 HG21 ILE 21 HG21 ILE 21 10.027 -7.222 -1.054
147 HG22 ILE 21 HG22 ILE 21 8.310 -7.512 -1.317
148 HG23 ILE 21 HG23 ILE 21 8.825 -6.223 -0.236
149 HD11 ILE 21 HD11 ILE 21 12.163 -4.237 -1.851
150 HD12 ILE 21 HD12 ILE 21 11.790 -5.545 -2.974
151 HD13 ILE 21 HD13 ILE 21 11.660 -5.812 -1.233
152 HA PRO 22 HA PRO 22 7.794 -10.515 -4.685
153 HB2 PRO 22 HB2 PRO 22 7.850 -11.217 -1.896
154 HB3 PRO 22 HB1 PRO 22 8.680 -11.985 -3.251
155 HG2 PRO 22 HG2 PRO 22 9.683 -9.991 -1.329
156 HG3 PRO 22 HG1 PRO 22 10.588 -11.133 -2.341
157 HD2 PRO 22 HD2 PRO 22 10.640 -8.519 -2.894
158 HD3 PRO 22 HD1 PRO 22 10.514 -9.745 -4.191
159 H VAL 23 HN VAL 23 5.831 -10.400 -5.081
160 HA VAL 23 HA VAL 23 3.697 -9.032 -3.940
161 HB VAL 23 HB VAL 23 3.745 -11.750 -5.308
162 HG11 VAL 23 HG11 VAL 23 1.426 -11.336 -5.931
163 HG12 VAL 23 HG12 VAL 23 1.434 -9.862 -4.962
164 HG13 VAL 23 HG13 VAL 23 1.632 -11.431 -4.181
165 HG21 VAL 23 HG21 VAL 23 3.177 -10.535 -7.343
166 HG22 VAL 23 HG22 VAL 23 4.737 -10.041 -6.684
167 HG23 VAL 23 HG23 VAL 23 3.321 -9.013 -6.462
168 H GLU 24 HN GLU 24 5.039 -12.110 -3.400
169 HA GLU 24 HA GLU 24 3.015 -12.928 -1.671
170 HB2 GLU 24 HB2 GLU 24 4.361 -15.017 -1.321
171 HB3 GLU 24 HB1 GLU 24 3.920 -14.639 -2.978
172 HG2 GLU 24 HG2 GLU 24 6.169 -13.704 -3.331
173 HG3 GLU 24 HG1 GLU 24 6.586 -14.186 -1.683
174 H ASP 25 HN ASP 25 5.980 -11.297 -1.141
175 HA ASP 25 HA ASP 25 6.175 -12.191 1.609
176 HB2 ASP 25 HB2 ASP 25 8.251 -11.619 0.300
177 HB3 ASP 25 HB1 ASP 25 7.728 -9.935 0.308
178 H VAL 26 HN VAL 26 4.537 -9.988 -0.133
179 HA VAL 26 HA VAL 26 4.148 -7.934 1.835
180 HB VAL 26 HB VAL 26 2.964 -8.432 -0.922
181 HG11 VAL 26 HG11 VAL 26 1.260 -7.372 0.480
182 HG12 VAL 26 HG12 VAL 26 1.870 -6.303 -0.784
183 HG13 VAL 26 HG13 VAL 26 2.405 -6.082 0.895
184 HG21 VAL 26 HG21 VAL 26 4.189 -6.409 -1.492
185 HG22 VAL 26 HG22 VAL 26 5.277 -7.627 -0.814
186 HG23 VAL 26 HG23 VAL 26 4.737 -6.266 0.173
187 H LYS 27 HN LYS 27 3.535 -9.353 3.473
188 HA LYS 27 HA LYS 27 0.693 -9.951 3.504
189 HB2 LYS 27 HB2 LYS 27 1.607 -11.214 5.621
190 HB3 LYS 27 HB1 LYS 27 1.542 -12.025 4.053
191 HG2 LYS 27 HG2 LYS 27 3.940 -11.326 3.780
192 HG3 LYS 27 HG1 LYS 27 3.901 -10.747 5.448
193 HD2 LYS 27 HD2 LYS 27 3.327 -13.007 6.211
194 HD3 LYS 27 HD1 LYS 27 3.384 -13.578 4.539
195 HE2 LYS 27 HE2 LYS 27 5.652 -12.308 6.016
196 HE3 LYS 27 HE1 LYS 27 5.451 -14.061 5.824
197 HZ1 LYS 27 HZ1 LYS 27 7.008 -13.194 4.198
198 HZ2 LYS 27 HZ2 LYS 27 5.897 -12.074 3.636
199 HZ3 LYS 27 HZ3 LYS 27 5.624 -13.736 3.425
200 H LEU 28 HN LEU 28 0.040 -9.729 6.059
201 HA LEU 28 HA LEU 28 0.243 -6.871 6.114
202 HB2 LEU 28 HB2 LEU 28 -1.505 -8.699 7.695
203 HB3 LEU 28 HB1 LEU 28 -1.433 -6.966 7.950
204 HG LEU 28 HG LEU 28 -2.090 -6.730 5.511
205 HD11 LEU 28 HD11 LEU 28 -2.839 -9.623 5.843
206 HD12 LEU 28 HD12 LEU 28 -1.596 -8.961 4.768
207 HD13 LEU 28 HD13 LEU 28 -3.291 -8.550 4.512
208 HD21 LEU 28 HD21 LEU 28 -4.457 -7.042 6.007
209 HD22 LEU 28 HD22 LEU 28 -3.582 -6.262 7.331
210 HD23 LEU 28 HD23 LEU 28 -4.017 -7.970 7.448
211 H ASP 29 HN ASP 29 2.349 -8.676 7.247
212 HA ASP 29 HA ASP 29 2.739 -7.408 9.874
213 HB2 ASP 29 HB2 ASP 29 3.081 -9.813 9.795
214 HB3 ASP 29 HB1 ASP 29 4.161 -9.646 8.419
215 H LYS 30 HN LYS 30 3.235 -6.707 6.751
216 HA LYS 30 HA LYS 30 6.035 -5.972 6.893
217 HB2 LYS 30 HB2 LYS 30 4.078 -6.299 4.685
218 HB3 LYS 30 HB1 LYS 30 5.705 -5.723 4.433
219 HG2 LYS 30 HG2 LYS 30 4.958 -8.374 5.677
220 HG3 LYS 30 HG1 LYS 30 5.370 -8.155 3.978
221 HD2 LYS 30 HD2 LYS 30 7.609 -7.466 4.570
222 HD3 LYS 30 HD1 LYS 30 7.188 -7.495 6.281
223 HE2 LYS 30 HE2 LYS 30 6.957 -9.839 6.305
224 HE3 LYS 30 HE1 LYS 30 6.962 -9.930 4.546
225 HZ1 LYS 30 HZ1 LYS 30 9.201 -9.634 4.447
226 HZ2 LYS 30 HZ2 LYS 30 9.097 -10.505 5.925
227 HZ3 LYS 30 HZ3 LYS 30 9.303 -8.839 5.916
228 H SER 31 HN SER 31 6.461 -3.933 7.387
229 HA SER 31 HA SER 31 4.657 -1.867 6.457
230 HB2 SER 31 HB2 SER 31 5.583 -1.692 8.747
231 HB3 SER 31 HB1 SER 31 7.221 -1.719 8.105
232 HG SER 31 HG SER 31 5.630 0.281 7.014
233 H PHE 32 HN PHE 32 4.918 -1.294 4.492
234 HA PHE 32 HA PHE 32 6.535 -1.980 2.520
235 HB2 PHE 32 HB2 PHE 32 5.640 0.875 2.893
236 HB3 PHE 32 HB1 PHE 32 6.137 0.109 1.387
237 HD1 PHE 32 HD1 PHE 32 4.733 -1.657 0.398
238 HD2 PHE 32 HD2 PHE 32 3.462 0.645 3.725
239 HE1 PHE 32 HE1 PHE 32 2.406 -2.295 -0.050
240 HE2 PHE 32 HE2 PHE 32 1.129 0.016 3.272
241 HZ PHE 32 HZ PHE 32 0.605 -1.439 1.376
242 H THR 33 HN THR 33 7.347 1.289 3.802
243 HA THR 33 HA THR 33 10.075 0.849 3.009
244 HB THR 33 HB THR 33 10.058 3.293 4.191
245 HG1 THR 33 HG1 THR 33 7.926 3.537 4.629
246 HG21 THR 33 HG21 THR 33 9.741 4.150 1.921
247 HG22 THR 33 HG22 THR 33 9.164 2.558 1.413
248 HG23 THR 33 HG23 THR 33 10.827 2.760 1.953
249 H ASP 34 HN ASP 34 9.597 -0.893 4.918
250 HA ASP 34 HA ASP 34 11.414 -0.032 7.030
251 HB2 ASP 34 HB2 ASP 34 9.353 0.445 8.091
252 HB3 ASP 34 HB1 ASP 34 8.642 -1.055 7.509
253 H ASP 35 HN ASP 35 9.335 -2.670 5.960
254 HA ASP 35 HA ASP 35 11.445 -4.573 6.742
255 HB2 ASP 35 HB2 ASP 35 8.956 -4.764 7.508
256 HB3 ASP 35 HB1 ASP 35 8.688 -5.335 5.868
257 H LEU 36 HN LEU 36 9.056 -4.049 4.205
258 HA LEU 36 HA LEU 36 10.117 -5.821 2.291
259 HB2 LEU 36 HB2 LEU 36 8.531 -3.288 1.874
260 HB3 LEU 36 HB1 LEU 36 8.736 -4.555 0.686
261 HG LEU 36 HG LEU 36 7.274 -4.858 3.316
262 HD11 LEU 36 HD11 LEU 36 6.093 -3.381 1.787
263 HD12 LEU 36 HD12 LEU 36 5.259 -4.926 1.939
264 HD13 LEU 36 HD13 LEU 36 6.225 -4.585 0.506
265 HD21 LEU 36 HD21 LEU 36 7.512 -6.723 0.955
266 HD22 LEU 36 HD22 LEU 36 6.520 -6.985 2.391
267 HD23 LEU 36 HD23 LEU 36 8.276 -6.947 2.530
268 H ASP 37 HN ASP 37 10.376 -2.389 2.756
269 HA ASP 37 HA ASP 37 11.843 -0.823 2.355
270 HB2 ASP 37 HB2 ASP 37 13.662 -2.501 2.938
271 HB3 ASP 37 HB1 ASP 37 13.809 -2.825 1.213
272 H VAL 38 HN VAL 38 10.530 0.051 1.040
273 HA VAL 38 HA VAL 38 10.422 -0.619 -1.752
274 HB VAL 38 HB VAL 38 9.122 1.659 -0.173
275 HG11 VAL 38 HG11 VAL 38 8.526 0.744 -2.987
276 HG12 VAL 38 HG12 VAL 38 9.296 2.265 -2.538
277 HG13 VAL 38 HG13 VAL 38 7.623 1.954 -2.077
278 HG21 VAL 38 HG21 VAL 38 8.346 -0.521 0.533
279 HG22 VAL 38 HG22 VAL 38 7.993 -0.955 -1.141
280 HG23 VAL 38 HG23 VAL 38 7.078 0.331 -0.352
281 H ASP 39 HN ASP 39 10.633 2.658 -0.518
282 HA ASP 39 HA ASP 39 13.183 3.426 -0.828
283 HB2 ASP 39 HB2 ASP 39 12.681 2.858 -3.419
284 HB3 ASP 39 HB1 ASP 39 11.566 4.223 -3.165
285 H SER 40 HN SER 40 12.891 5.863 -1.353
286 HA SER 40 HA SER 40 10.817 6.629 0.552
287 HB2 SER 40 HB2 SER 40 13.351 7.231 0.667
288 HB3 SER 40 HB1 SER 40 12.940 8.460 -0.529
289 H LEU 41 HN LEU 41 11.865 7.010 -2.716
290 HA LEU 41 HA LEU 41 9.908 9.072 -3.298
291 HB2 LEU 41 HB2 LEU 41 11.833 7.656 -5.142
292 HB3 LEU 41 HB1 LEU 41 10.813 9.005 -5.585
293 HG LEU 41 HG LEU 41 13.099 9.068 -3.618
294 HD11 LEU 41 HD11 LEU 41 14.160 10.518 -5.276
295 HD12 LEU 41 HD12 LEU 41 12.789 10.274 -6.358
296 HD13 LEU 41 HD13 LEU 41 13.824 8.913 -5.924
297 HD21 LEU 41 HD21 LEU 41 11.279 11.288 -4.550
298 HD22 LEU 41 HD22 LEU 41 12.712 11.488 -3.544
299 HD23 LEU 41 HD23 LEU 41 11.320 10.591 -2.932
300 H SER 42 HN SER 42 10.586 5.672 -4.107
301 HA SER 42 HA SER 42 8.483 5.319 -5.907
302 HB2 SER 42 HB2 SER 42 9.818 3.251 -4.152
303 HB3 SER 42 HB1 SER 42 9.030 2.987 -5.707
304 HG SER 42 HG SER 42 10.685 4.724 -6.367
305 H MET 43 HN MET 43 8.660 5.437 -2.502
306 HA MET 43 HA MET 43 6.455 4.044 -1.593
307 HB2 MET 43 HB2 MET 43 8.064 5.030 -0.121
308 HB3 MET 43 HB1 MET 43 7.655 6.646 -0.672
309 HG2 MET 43 HG2 MET 43 6.733 5.971 1.540
310 HG3 MET 43 HG1 MET 43 5.568 6.589 0.359
311 HE1 MET 43 HE1 MET 43 7.094 3.223 1.836
312 HE2 MET 43 HE2 MET 43 7.192 3.140 0.086
313 HE3 MET 43 HE3 MET 43 6.083 2.062 0.958
314 H VAL 44 HN VAL 44 6.706 7.302 -3.002
315 HA VAL 44 HA VAL 44 4.043 7.995 -2.380
316 HB VAL 44 HB VAL 44 5.976 9.338 -4.298
317 HG11 VAL 44 HG11 VAL 44 3.666 10.031 -4.704
318 HG12 VAL 44 HG12 VAL 44 4.601 11.344 -3.988
319 HG13 VAL 44 HG13 VAL 44 3.475 10.421 -2.995
320 HG21 VAL 44 HG21 VAL 44 5.415 9.891 -1.380
321 HG22 VAL 44 HG22 VAL 44 6.451 10.862 -2.422
322 HG23 VAL 44 HG23 VAL 44 6.889 9.198 -2.042
323 H GLU 45 HN GLU 45 5.554 6.303 -5.050
324 HA GLU 45 HA GLU 45 3.231 6.736 -6.638
325 HB2 GLU 45 HB2 GLU 45 5.717 5.117 -7.144
326 HB3 GLU 45 HB1 GLU 45 4.333 5.108 -8.236
327 HG2 GLU 45 HG2 GLU 45 4.531 7.573 -8.413
328 HG3 GLU 45 HG1 GLU 45 6.011 7.481 -7.466
329 H VAL 46 HN VAL 46 4.351 4.448 -4.344
330 HA VAL 46 HA VAL 46 2.507 2.365 -4.961
331 HB VAL 46 HB VAL 46 3.637 3.158 -2.234
332 HG11 VAL 46 HG11 VAL 46 2.384 0.555 -3.123
333 HG12 VAL 46 HG12 VAL 46 1.670 1.729 -2.017
334 HG13 VAL 46 HG13 VAL 46 3.125 0.852 -1.550
335 HG21 VAL 46 HG21 VAL 46 5.277 1.369 -2.590
336 HG22 VAL 46 HG22 VAL 46 5.412 2.630 -3.817
337 HG23 VAL 46 HG23 VAL 46 4.627 1.102 -4.209
338 H VAL 47 HN VAL 47 2.386 5.244 -2.987
339 HA VAL 47 HA VAL 47 -0.229 5.093 -1.991
340 HB VAL 47 HB VAL 47 1.132 7.627 -2.950
341 HG11 VAL 47 HG11 VAL 47 -0.114 8.698 -1.136
342 HG12 VAL 47 HG12 VAL 47 -0.842 7.146 -0.729
343 HG13 VAL 47 HG13 VAL 47 -1.193 7.896 -2.277
344 HG21 VAL 47 HG21 VAL 47 2.135 7.822 -0.718
345 HG22 VAL 47 HG22 VAL 47 2.719 6.402 -1.583
346 HG23 VAL 47 HG23 VAL 47 1.512 6.223 -0.310
347 H VAL 48 HN VAL 48 0.910 6.997 -4.775
348 HA VAL 48 HA VAL 48 -1.469 7.587 -6.039
349 HB VAL 48 HB VAL 48 1.162 6.912 -7.402
350 HG11 VAL 48 HG11 VAL 48 -1.204 8.458 -8.478
351 HG12 VAL 48 HG12 VAL 48 -0.679 6.862 -9.016
352 HG13 VAL 48 HG13 VAL 48 0.353 8.267 -9.283
353 HG21 VAL 48 HG21 VAL 48 1.350 8.708 -5.772
354 HG22 VAL 48 HG22 VAL 48 -0.006 9.551 -6.526
355 HG23 VAL 48 HG23 VAL 48 1.504 9.336 -7.412
356 H ALA 49 HN ALA 49 0.432 4.602 -6.625
357 HA ALA 49 HA ALA 49 -1.384 3.585 -8.528
358 HB1 ALA 49 HB1 ALA 49 -0.169 1.509 -8.399
359 HB2 ALA 49 HB2 ALA 49 0.611 2.028 -6.906
360 HB3 ALA 49 HB3 ALA 49 0.956 2.868 -8.418
361 H ALA 50 HN ALA 50 -1.425 3.487 -5.053
362 HA ALA 50 HA ALA 50 -3.200 1.299 -4.848
363 HB1 ALA 50 HB1 ALA 50 -3.698 2.138 -2.590
364 HB2 ALA 50 HB2 ALA 50 -2.857 3.641 -2.966
365 HB3 ALA 50 HB3 ALA 50 -1.961 2.121 -2.904
366 H GLU 51 HN GLU 51 -3.561 4.728 -5.346
367 HA GLU 51 HA GLU 51 -6.383 4.929 -5.199
368 HB2 GLU 51 HB2 GLU 51 -4.531 6.485 -6.999
369 HB3 GLU 51 HB1 GLU 51 -6.121 6.967 -6.437
370 HG2 GLU 51 HG2 GLU 51 -5.253 7.169 -4.178
371 HG3 GLU 51 HG1 GLU 51 -3.660 6.663 -4.753
372 H GLU 52 HN GLU 52 -4.097 4.567 -7.812
373 HA GLU 52 HA GLU 52 -5.689 4.360 -10.062
374 HB2 GLU 52 HB2 GLU 52 -3.224 4.562 -10.004
375 HB3 GLU 52 HB1 GLU 52 -3.112 2.905 -9.448
376 HG2 GLU 52 HG2 GLU 52 -2.609 2.865 -11.736
377 HG3 GLU 52 HG1 GLU 52 -4.255 2.247 -11.597
378 H ARG 53 HN ARG 53 -4.792 1.911 -7.714
379 HA ARG 53 HA ARG 53 -5.730 -0.297 -9.279
380 HB2 ARG 53 HB2 ARG 53 -3.740 -0.453 -7.883
381 HB3 ARG 53 HB1 ARG 53 -4.698 -0.087 -6.461
382 HG2 ARG 53 HG2 ARG 53 -4.225 -2.419 -6.515
383 HG3 ARG 53 HG1 ARG 53 -5.946 -2.184 -6.825
384 HD2 ARG 53 HD2 ARG 53 -5.575 -2.476 -9.202
385 HD3 ARG 53 HD1 ARG 53 -3.838 -2.642 -8.925
386 HE ARG 53 HE ARG 53 -5.663 -4.466 -7.590
387 HH11 ARG 53 HH11 ARG 53 -3.135 -3.940 -10.020
388 HH12 ARG 53 HH12 ARG 53 -2.864 -5.594 -10.318
389 HH21 ARG 53 HH21 ARG 53 -5.236 -6.770 -7.928
390 HH22 ARG 53 HH22 ARG 53 -4.125 -7.255 -9.112
391 H PHE 54 HN PHE 54 -6.641 1.263 -6.207
392 HA PHE 54 HA PHE 54 -8.877 -0.584 -6.057
393 HB2 PHE 54 HB2 PHE 54 -7.756 1.286 -4.006
394 HB3 PHE 54 HB1 PHE 54 -9.060 0.134 -3.752
395 HD1 PHE 54 HD1 PHE 54 -8.339 -2.346 -4.674
396 HD2 PHE 54 HD2 PHE 54 -5.735 0.666 -3.184
397 HE1 PHE 54 HE1 PHE 54 -6.675 -4.056 -4.103
398 HE2 PHE 54 HE2 PHE 54 -4.079 -1.063 -2.592
399 HZ PHE 54 HZ PHE 54 -4.550 -3.406 -3.078
400 H ASP 55 HN ASP 55 -8.421 2.518 -7.193
401 HA ASP 55 HA ASP 55 -9.856 4.027 -8.047
402 HB2 ASP 55 HB2 ASP 55 -11.478 2.177 -8.478
403 HB3 ASP 55 HB1 ASP 55 -12.085 2.349 -6.850
404 H VAL 56 HN VAL 56 -9.397 3.379 -4.953
405 HA VAL 56 HA VAL 56 -10.982 5.385 -3.659
406 HB VAL 56 HB VAL 56 -10.248 3.290 -2.540
407 HG11 VAL 56 HG11 VAL 56 -8.091 3.007 -3.499
408 HG12 VAL 56 HG12 VAL 56 -7.965 3.008 -1.738
409 HG13 VAL 56 HG13 VAL 56 -7.486 4.433 -2.658
410 HG21 VAL 56 HG21 VAL 56 -9.168 5.736 -1.128
411 HG22 VAL 56 HG22 VAL 56 -9.589 4.203 -0.367
412 HG23 VAL 56 HG23 VAL 56 -10.844 5.191 -1.108
413 H LYS 57 HN LYS 57 -9.884 7.199 -2.395
414 HA LYS 57 HA LYS 57 -7.664 8.385 -3.932
415 HB2 LYS 57 HB2 LYS 57 -9.797 9.648 -4.025
416 HB3 LYS 57 HB1 LYS 57 -9.858 9.675 -2.272
417 HG2 LYS 57 HG2 LYS 57 -9.129 11.813 -3.088
418 HG3 LYS 57 HG1 LYS 57 -7.787 11.022 -2.259
419 HD2 LYS 57 HD2 LYS 57 -6.873 10.321 -4.409
420 HD3 LYS 57 HD1 LYS 57 -8.222 11.096 -5.237
421 HE2 LYS 57 HE2 LYS 57 -6.170 12.493 -3.521
422 HE3 LYS 57 HE1 LYS 57 -6.193 12.476 -5.281
423 HZ1 LYS 57 HZ1 LYS 57 -7.146 14.488 -4.573
424 HZ2 LYS 57 HZ2 LYS 57 -8.143 13.747 -3.449
425 HZ3 LYS 57 HZ3 LYS 57 -8.437 13.537 -5.121
426 H ILE 58 HN ILE 58 -5.883 7.887 -2.905
427 HA ILE 58 HA ILE 58 -5.777 8.466 -0.024
428 HB ILE 58 HB ILE 58 -4.019 6.384 -1.370
429 HG12 ILE 58 HG12 ILE 58 -6.513 5.829 0.257
430 HG13 ILE 58 HG11 ILE 58 -6.395 5.643 -1.488
431 HG21 ILE 58 HG21 ILE 58 -3.623 5.646 0.963
432 HG22 ILE 58 HG22 ILE 58 -4.678 6.918 1.538
433 HG23 ILE 58 HG23 ILE 58 -3.162 7.336 0.729
434 HD11 ILE 58 HD11 ILE 58 -4.701 3.936 -1.201
435 HD12 ILE 58 HD12 ILE 58 -6.180 3.515 -0.335
436 HD13 ILE 58 HD13 ILE 58 -4.783 4.131 0.549
437 HA PRO 59 HA PRO 59 -2.637 10.926 -2.139
438 HB2 PRO 59 HB2 PRO 59 -2.991 13.196 -0.760
439 HB3 PRO 59 HB1 PRO 59 -4.086 12.741 -2.071
440 HG2 PRO 59 HG2 PRO 59 -4.489 12.599 0.871
441 HG3 PRO 59 HG1 PRO 59 -5.660 12.934 -0.413
442 HD2 PRO 59 HD2 PRO 59 -5.283 10.478 0.882
443 HD3 PRO 59 HD1 PRO 59 -6.174 10.731 -0.630
444 H ASP 60 HN ASP 60 -0.682 11.877 -1.313
445 HA ASP 60 HA ASP 60 0.699 10.525 0.592
446 HB2 ASP 60 HB2 ASP 60 2.414 12.193 0.448
447 HB3 ASP 60 HB1 ASP 60 1.686 12.015 -1.143
448 H ASP 61 HN ASP 61 -1.513 13.122 1.214
449 HA ASP 61 HA ASP 61 -0.510 13.679 3.821
450 HB2 ASP 61 HB2 ASP 61 -1.906 15.347 2.709
451 HB3 ASP 61 HB1 ASP 61 -3.270 14.232 2.712
452 H ASP 62 HN ASP 62 -3.269 11.785 2.641
453 HA ASP 62 HA ASP 62 -3.959 10.764 5.235
454 HB2 ASP 62 HB2 ASP 62 -4.813 9.941 2.460
455 HB3 ASP 62 HB1 ASP 62 -5.350 9.092 3.897
456 H VAL 63 HN VAL 63 -1.832 9.810 2.757
457 HA VAL 63 HA VAL 63 -1.576 7.156 3.584
458 HB VAL 63 HB VAL 63 -0.695 8.314 1.404
459 HG11 VAL 63 HG11 VAL 63 1.785 8.415 3.095
460 HG12 VAL 63 HG12 VAL 63 0.929 9.784 2.383
461 HG13 VAL 63 HG13 VAL 63 1.725 8.606 1.343
462 HG21 VAL 63 HG21 VAL 63 0.655 6.021 2.759
463 HG22 VAL 63 HG22 VAL 63 0.809 6.429 1.046
464 HG23 VAL 63 HG23 VAL 63 -0.764 5.984 1.710
465 H LYS 64 HN LYS 64 -0.469 10.032 4.977
466 HA LYS 64 HA LYS 64 1.766 9.066 6.368
467 HB2 LYS 64 HB2 LYS 64 -0.015 11.404 7.075
468 HB3 LYS 64 HB1 LYS 64 1.561 11.082 7.785
469 HG2 LYS 64 HG2 LYS 64 2.555 11.304 5.500
470 HG3 LYS 64 HG1 LYS 64 0.980 11.778 4.905
471 HD2 LYS 64 HD2 LYS 64 2.519 13.252 7.059
472 HD3 LYS 64 HD1 LYS 64 2.507 13.691 5.360
473 HE2 LYS 64 HE2 LYS 64 0.980 15.161 6.428
474 HE3 LYS 64 HE1 LYS 64 -0.009 13.980 5.590
475 HZ1 LYS 64 HZ1 LYS 64 0.598 13.973 8.504
476 HZ2 LYS 64 HZ2 LYS 64 -0.437 12.880 7.724
477 HZ3 LYS 64 HZ3 LYS 64 -0.833 14.493 7.802
478 H ASN 65 HN ASN 65 -1.248 7.965 6.679
479 HA ASN 65 HA ASN 65 -1.221 7.647 9.613
480 HB2 ASN 65 HB2 ASN 65 -3.521 7.251 7.661
481 HB3 ASN 65 HB1 ASN 65 -3.606 7.051 9.398
482 HD21 ASN 65 HD21 ASN 65 -3.600 9.232 6.781
483 HD22 ASN 65 HD22 ASN 65 -4.000 10.671 7.646
484 H LEU 66 HN LEU 66 -0.151 6.265 6.881
485 HA LEU 66 HA LEU 66 -0.981 3.594 7.601
486 HB2 LEU 66 HB2 LEU 66 -0.180 4.593 4.869
487 HB3 LEU 66 HB1 LEU 66 -0.851 3.032 5.300
488 HG LEU 66 HG LEU 66 -2.340 5.663 5.317
489 HD11 LEU 66 HD11 LEU 66 -3.580 4.733 3.438
490 HD12 LEU 66 HD12 LEU 66 -2.534 3.313 3.455
491 HD13 LEU 66 HD13 LEU 66 -1.862 4.902 3.078
492 HD21 LEU 66 HD21 LEU 66 -4.341 4.292 5.679
493 HD22 LEU 66 HD22 LEU 66 -3.213 4.163 7.031
494 HD23 LEU 66 HD23 LEU 66 -3.330 2.865 5.838
495 H LYS 67 HN LYS 67 0.631 2.204 7.454
496 HA LYS 67 HA LYS 67 3.184 2.866 6.493
497 HB2 LYS 67 HB2 LYS 67 4.282 2.075 8.855
498 HB3 LYS 67 HB1 LYS 67 4.067 3.745 8.384
499 HG2 LYS 67 HG2 LYS 67 3.389 3.478 10.666
500 HG3 LYS 67 HG1 LYS 67 1.960 3.793 9.679
501 HD2 LYS 67 HD2 LYS 67 1.466 1.382 9.699
502 HD3 LYS 67 HD1 LYS 67 2.871 1.118 10.735
503 HE2 LYS 67 HE2 LYS 67 1.885 2.445 12.491
504 HE3 LYS 67 HE1 LYS 67 0.565 2.922 11.422
505 HZ1 LYS 67 HZ1 LYS 67 1.078 0.130 12.325
506 HZ2 LYS 67 HZ2 LYS 67 -0.196 0.669 11.352
507 HZ3 LYS 67 HZ3 LYS 67 -0.116 1.158 12.965
508 H THR 68 HN THR 68 1.187 0.409 7.968
509 HA THR 68 HA THR 68 2.998 -1.417 6.577
510 HB THR 68 HB THR 68 1.723 -3.315 7.522
511 HG1 THR 68 HG1 THR 68 0.379 -1.321 9.034
512 HG21 THR 68 HG21 THR 68 2.550 -3.164 9.806
513 HG22 THR 68 HG22 THR 68 2.867 -1.431 9.568
514 HG23 THR 68 HG23 THR 68 3.722 -2.650 8.596
515 H VAL 69 HN VAL 69 1.968 -3.215 5.466
516 HA VAL 69 HA VAL 69 0.242 -2.421 3.408
517 HB VAL 69 HB VAL 69 -0.067 -4.969 3.163
518 HG11 VAL 69 HG11 VAL 69 2.258 -5.307 2.405
519 HG12 VAL 69 HG12 VAL 69 2.763 -3.891 3.332
520 HG13 VAL 69 HG13 VAL 69 1.702 -3.701 1.938
521 HG21 VAL 69 HG21 VAL 69 1.472 -6.324 4.421
522 HG22 VAL 69 HG22 VAL 69 0.286 -5.514 5.448
523 HG23 VAL 69 HG23 VAL 69 1.941 -4.909 5.358
524 H GLY 70 HN GLY 70 -0.254 -3.835 6.534
525 HA2 GLY 70 HA2 GLY 70 -2.983 -4.481 6.286
526 HA3 GLY 70 HA1 GLY 70 -2.126 -4.252 7.810
527 H ASP 71 HN ASP 71 -1.310 -1.620 7.513
528 HA ASP 71 HA ASP 71 -3.597 -0.136 8.288
529 HB2 ASP 71 HB2 ASP 71 -0.972 0.924 7.228
530 HB3 ASP 71 HB1 ASP 71 -2.243 1.921 7.910
531 H ALA 72 HN ALA 72 -1.738 -0.206 5.303
532 HA ALA 72 HA ALA 72 -3.126 1.685 3.847
533 HB1 ALA 72 HB1 ALA 72 -1.031 0.667 3.103
534 HB2 ALA 72 HB2 ALA 72 -2.271 0.542 1.858
535 HB3 ALA 72 HB3 ALA 72 -1.864 -0.864 2.842
536 H THR 73 HN THR 73 -3.586 -1.868 3.603
537 HA THR 73 HA THR 73 -5.912 -2.047 2.304
538 HB THR 73 HB THR 73 -4.994 -3.621 4.692
539 HG1 THR 73 HG1 THR 73 -3.439 -3.871 3.264
540 HG21 THR 73 HG21 THR 73 -6.331 -5.447 3.688
541 HG22 THR 73 HG22 THR 73 -6.884 -4.307 2.446
542 HG23 THR 73 HG23 THR 73 -7.336 -4.056 4.122
543 H LYS 74 HN LYS 74 -5.578 -1.491 5.829
544 HA LYS 74 HA LYS 74 -8.306 -1.698 6.422
545 HB2 LYS 74 HB2 LYS 74 -6.388 -1.872 8.031
546 HB3 LYS 74 HB1 LYS 74 -6.213 -0.130 7.935
547 HG2 LYS 74 HG2 LYS 74 -7.418 -0.804 9.935
548 HG3 LYS 74 HG1 LYS 74 -8.446 0.153 8.864
549 HD2 LYS 74 HD2 LYS 74 -9.566 -1.818 8.076
550 HD3 LYS 74 HD1 LYS 74 -8.430 -2.864 8.924
551 HE2 LYS 74 HE2 LYS 74 -10.322 -0.926 10.252
552 HE3 LYS 74 HE1 LYS 74 -10.613 -2.654 10.072
553 HZ1 LYS 74 HZ1 LYS 74 -9.732 -2.137 12.251
554 HZ2 LYS 74 HZ2 LYS 74 -8.369 -1.423 11.598
555 HZ3 LYS 74 HZ3 LYS 74 -8.637 -3.090 11.396
556 H TYR 75 HN TYR 75 -6.343 1.019 5.289
557 HA TYR 75 HA TYR 75 -8.373 2.951 5.825
558 HB2 TYR 75 HB2 TYR 75 -5.982 3.580 5.696
559 HB3 TYR 75 HB1 TYR 75 -5.948 3.082 4.010
560 HD1 TYR 75 HD1 TYR 75 -7.263 5.587 6.373
561 HD2 TYR 75 HD2 TYR 75 -6.794 4.516 2.284
562 HE1 TYR 75 HE1 TYR 75 -7.956 7.848 5.703
563 HE2 TYR 75 HE2 TYR 75 -7.484 6.763 1.604
564 HH TYR 75 HH TYR 75 -7.723 9.359 3.771
565 H ILE 76 HN ILE 76 -7.186 1.112 3.096
566 HA ILE 76 HA ILE 76 -8.870 2.195 1.127
567 HB ILE 76 HB ILE 76 -7.601 -0.558 1.278
568 HG12 ILE 76 HG12 ILE 76 -6.593 1.946 -0.074
569 HG13 ILE 76 HG11 ILE 76 -6.085 1.420 1.523
570 HG21 ILE 76 HG21 ILE 76 -9.379 -0.407 -0.424
571 HG22 ILE 76 HG22 ILE 76 -7.789 -0.529 -1.177
572 HG23 ILE 76 HG23 ILE 76 -8.610 1.030 -1.097
573 HD11 ILE 76 HD11 ILE 76 -5.170 -0.610 0.566
574 HD12 ILE 76 HD12 ILE 76 -4.465 0.832 -0.167
575 HD13 ILE 76 HD13 ILE 76 -5.694 -0.095 -1.037
576 H LEU 77 HN LEU 77 -9.149 -0.683 3.098
577 HA LEU 77 HA LEU 77 -11.518 -1.811 2.253
578 HB2 LEU 77 HB2 LEU 77 -10.041 -2.779 3.936
579 HB3 LEU 77 HB1 LEU 77 -10.480 -1.518 5.067
580 HG LEU 77 HG LEU 77 -12.838 -2.394 4.957
581 HD11 LEU 77 HD11 LEU 77 -13.152 -4.677 4.193
582 HD12 LEU 77 HD12 LEU 77 -11.501 -4.690 3.567
583 HD13 LEU 77 HD13 LEU 77 -12.698 -3.587 2.884
584 HD21 LEU 77 HD21 LEU 77 -10.693 -4.239 5.996
585 HD22 LEU 77 HD22 LEU 77 -12.384 -4.257 6.483
586 HD23 LEU 77 HD23 LEU 77 -11.376 -2.853 6.845
587 H ASP 78 HN ASP 78 -11.010 0.821 4.427
588 HA ASP 78 HA ASP 78 -13.878 1.039 4.962
589 HB2 ASP 78 HB2 ASP 78 -12.420 1.232 6.893
590 HB3 ASP 78 HB1 ASP 78 -11.607 2.614 6.165
591 H HIS 79 HN HIS 79 -11.350 2.958 3.466
592 HA HIS 79 HA HIS 79 -13.144 5.157 2.986
593 HB2 HIS 79 HB2 HIS 79 -10.377 4.907 3.250
594 HB3 HIS 79 HB1 HIS 79 -10.639 5.373 1.574
595 HD1 HIS 79 HD1 HIS 79 -11.216 7.823 1.139
596 HD2 HIS 79 HD2 HIS 79 -11.394 6.775 5.158
597 HE1 HIS 79 HE1 HIS 79 -11.470 9.977 2.393
598 HE2 HIS 79 HE2 HIS 79 -11.291 9.308 4.833
599 H GLN 80 HN GLN 80 -12.910 2.292 1.452
600 HA GLN 80 HA GLN 80 -12.726 2.348 -1.210
601 HB2 GLN 80 HB2 GLN 80 -15.028 1.451 0.431
602 HB3 GLN 80 HB1 GLN 80 -14.950 1.076 -1.295
603 HG2 GLN 80 HG2 GLN 80 -13.072 0.211 0.890
604 HG3 GLN 80 HG1 GLN 80 -14.310 -0.780 0.126
605 HE21 GLN 80 HE21 GLN 80 -11.482 -1.164 0.332
606 HE22 GLN 80 HE22 GLN 80 -10.894 -1.342 -1.284
607 H ALA 81 HN ALA 81 -13.558 3.422 -2.943
608 HA ALA 81 HA ALA 81 -15.062 5.780 -2.438
609 HB1 ALA 81 HB1 ALA 81 -14.801 6.214 -4.822
610 HB2 ALA 81 HB2 ALA 81 -14.197 4.577 -5.067
611 HB3 ALA 81 HB3 ALA 81 -13.265 5.725 -4.108
612 H2 SHW 101 H2A SHW 101 2.312 5.831 3.769
613 H2A SHW 101 H2B SHW 101 3.436 5.405 2.479
614 H3 SHW 101 H3A SHW 101 2.820 3.726 4.942
615 HO3 SHW 101 HO3 SHW 101 4.684 3.537 2.872
616 H4 SHW 101 H4A SHW 101 0.972 3.777 3.291
617 H4A SHW 101 H4B SHW 101 1.733 2.194 3.361
618 H5 SHW 101 H5A SHW 101 3.040 2.785 1.328
619 H5A SHW 101 H5B SHW 101 2.137 4.290 1.231
620 H6 SHW 101 H6A SHW 101 0.918 1.536 1.105
621 H6A SHW 101 H6B SHW 101 1.241 2.571 -0.286
622 H7 SHW 101 H7A SHW 101 -0.299 4.258 0.608
623 H7A SHW 101 H7B SHW 101 -0.651 3.187 1.977
624 H8 SHW 101 H8C SHW 101 -1.469 1.496 0.418
625 H8A SHW 101 H8A SHW 101 -1.106 2.563 -0.936
626 H8B SHW 101 H8B SHW 101 -2.350 3.013 0.231
627 H28 SHW 101 H28A SHW 101 10.919 11.573 -0.316
628 H28A SHW 101 H28B SHW 101 10.115 10.131 0.315
629 H30 SHW 101 H30A SHW 101 10.454 13.366 2.007
630 H30A SHW 101 H30B SHW 101 8.897 14.018 1.495
631 H30B SHW 101 H30C SHW 101 10.185 13.781 0.314
632 H31 SHW 101 H31A SHW 101 8.690 12.434 -1.084
633 H31A SHW 101 H31B SHW 101 7.369 12.608 0.070
634 H31B SHW 101 H31C SHW 101 7.899 11.000 -0.427
635 H32 SHW 101 H32A SHW 101 9.173 11.530 3.111
636 HO33 SHW 101 H33A SHW 101 6.666 11.401 2.213
637 HN36 SHW 101 H36A SHW 101 9.961 9.397 2.569
638 H37 SHW 101 H37A SHW 101 7.812 7.395 2.068
639 H37A SHW 101 H37B SHW 101 9.450 7.213 1.466
640 H38 SHW 101 H38A SHW 101 9.189 5.806 3.369
641 H38A SHW 101 H38B SHW 101 10.293 7.116 3.793
642 HN41 SHW 101 H41A SHW 101 7.136 8.189 3.630
643 H42 SHW 101 H42A SHW 101 6.304 7.659 6.413
644 H42A SHW 101 H42B SHW 101 6.680 9.270 5.888
645 H43 SHW 101 H43A SHW 101 5.019 8.908 3.930
646 H43A SHW 101 H43B SHW 101 4.644 9.495 5.518
Start of MODEL 18
1 H1 ALA 1 HT1 ALA 1 -17.105 -2.205 -0.079
2 H2 ALA 1 HT2 ALA 1 -17.482 -1.745 1.486
3 H3 ALA 1 HT3 ALA 1 -18.026 -3.258 0.875
4 HA ALA 1 HA ALA 1 -15.253 -2.416 1.418
5 HB1 ALA 1 HB1 ALA 1 -15.281 -4.193 3.090
6 HB2 ALA 1 HB2 ALA 1 -16.969 -4.537 2.708
7 HB3 ALA 1 HB3 ALA 1 -16.526 -2.987 3.425
8 H ALA 2 HN ALA 2 -13.671 -4.122 0.990
9 HA ALA 2 HA ALA 2 -14.556 -6.021 -1.048
10 HB1 ALA 2 HB1 ALA 2 -13.210 -4.255 -2.091
11 HB2 ALA 2 HB2 ALA 2 -12.291 -5.763 -2.050
12 HB3 ALA 2 HB3 ALA 2 -11.947 -4.487 -0.884
13 H THR 3 HN THR 3 -12.286 -7.588 -1.128
14 HA THR 3 HA THR 3 -12.419 -8.690 1.536
15 HB THR 3 HB THR 3 -10.946 -9.839 -0.837
16 HG1 THR 3 HG1 THR 3 -13.013 -9.404 -1.597
17 HG21 THR 3 HG21 THR 3 -12.482 -10.947 1.471
18 HG22 THR 3 HG22 THR 3 -10.725 -10.814 1.380
19 HG23 THR 3 HG23 THR 3 -11.594 -11.910 0.278
20 H GLN 4 HN GLN 4 -10.778 -8.382 2.946
21 HA GLN 4 HA GLN 4 -8.844 -6.399 2.645
22 HB2 GLN 4 HB2 GLN 4 -8.768 -8.736 4.554
23 HB3 GLN 4 HB1 GLN 4 -7.880 -7.229 4.722
24 HG2 GLN 4 HG2 GLN 4 -9.936 -5.999 4.987
25 HG3 GLN 4 HG1 GLN 4 -10.875 -7.463 4.706
26 HE21 GLN 4 HE21 GLN 4 -7.940 -7.373 6.613
27 HE22 GLN 4 HE22 GLN 4 -8.714 -7.702 8.118
28 H GLU 5 HN GLU 5 -8.636 -9.791 2.214
29 HA GLU 5 HA GLU 5 -5.851 -10.116 1.871
30 HB2 GLU 5 HB2 GLU 5 -8.021 -11.767 0.552
31 HB3 GLU 5 HB1 GLU 5 -6.356 -12.241 0.809
32 HG2 GLU 5 HG2 GLU 5 -7.506 -13.405 2.443
33 HG3 GLU 5 HG1 GLU 5 -6.886 -12.007 3.316
34 H GLU 6 HN GLU 6 -8.404 -9.358 -0.380
35 HA GLU 6 HA GLU 6 -6.698 -9.437 -2.651
36 HB2 GLU 6 HB2 GLU 6 -9.087 -9.933 -2.814
37 HB3 GLU 6 HB1 GLU 6 -9.463 -8.293 -2.305
38 HG2 GLU 6 HG2 GLU 6 -8.528 -7.401 -4.327
39 HG3 GLU 6 HG1 GLU 6 -7.968 -9.001 -4.818
40 H ILE 7 HN ILE 7 -7.742 -7.072 -0.379
41 HA ILE 7 HA ILE 7 -6.923 -4.733 -1.728
42 HB ILE 7 HB ILE 7 -6.941 -5.305 1.248
43 HG12 ILE 7 HG12 ILE 7 -9.185 -4.412 -0.593
44 HG13 ILE 7 HG11 ILE 7 -9.067 -5.855 0.363
45 HG21 ILE 7 HG21 ILE 7 -7.269 -2.861 1.474
46 HG22 ILE 7 HG22 ILE 7 -7.133 -2.691 -0.274
47 HG23 ILE 7 HG23 ILE 7 -5.749 -3.244 0.669
48 HD11 ILE 7 HD11 ILE 7 -9.293 -3.099 1.520
49 HD12 ILE 7 HD12 ILE 7 -9.241 -4.617 2.417
50 HD13 ILE 7 HD13 ILE 7 -10.607 -4.265 1.355
51 H VAL 8 HN VAL 8 -5.338 -6.618 0.844
52 HA VAL 8 HA VAL 8 -2.791 -5.494 0.604
53 HB VAL 8 HB VAL 8 -3.542 -8.301 1.516
54 HG11 VAL 8 HG11 VAL 8 -1.402 -8.314 2.708
55 HG12 VAL 8 HG12 VAL 8 -0.988 -6.759 1.971
56 HG13 VAL 8 HG13 VAL 8 -1.190 -8.193 0.961
57 HG21 VAL 8 HG21 VAL 8 -3.406 -7.347 3.782
58 HG22 VAL 8 HG22 VAL 8 -4.628 -6.526 2.801
59 HG23 VAL 8 HG23 VAL 8 -3.077 -5.764 3.079
60 H ALA 9 HN ALA 9 -4.298 -8.070 -1.275
61 HA ALA 9 HA ALA 9 -1.974 -8.915 -2.600
62 HB1 ALA 9 HB1 ALA 9 -4.018 -10.265 -2.606
63 HB2 ALA 9 HB2 ALA 9 -3.485 -9.940 -4.255
64 HB3 ALA 9 HB3 ALA 9 -4.836 -9.035 -3.570
65 H GLY 10 HN GLY 10 -4.438 -6.482 -3.371
66 HA2 GLY 10 HA2 GLY 10 -3.435 -5.607 -5.842
67 HA3 GLY 10 HA1 GLY 10 -4.404 -4.648 -4.729
68 H LEU 11 HN LEU 11 -2.742 -4.583 -2.525
69 HA LEU 11 HA LEU 11 -0.923 -2.562 -3.080
70 HB2 LEU 11 HB2 LEU 11 -1.227 -4.483 -0.798
71 HB3 LEU 11 HB1 LEU 11 -0.069 -3.181 -0.771
72 HG LEU 11 HG LEU 11 -3.061 -2.827 -0.993
73 HD11 LEU 11 HD11 LEU 11 -1.208 -2.455 1.354
74 HD12 LEU 11 HD12 LEU 11 -2.402 -3.738 1.167
75 HD13 LEU 11 HD13 LEU 11 -2.927 -2.063 1.319
76 HD21 LEU 11 HD21 LEU 11 -2.575 -0.476 -0.534
77 HD22 LEU 11 HD22 LEU 11 -1.785 -1.005 -2.019
78 HD23 LEU 11 HD23 LEU 11 -0.845 -0.823 -0.537
79 H ALA 12 HN ALA 12 -0.525 -6.028 -2.609
80 HA ALA 12 HA ALA 12 2.236 -6.211 -2.762
81 HB1 ALA 12 HB1 ALA 12 0.779 -8.015 -2.003
82 HB2 ALA 12 HB2 ALA 12 1.876 -8.562 -3.270
83 HB3 ALA 12 HB3 ALA 12 0.184 -8.228 -3.648
84 H GLU 13 HN GLU 13 -0.179 -6.337 -5.320
85 HA GLU 13 HA GLU 13 1.388 -6.820 -7.611
86 HB2 GLU 13 HB2 GLU 13 -0.878 -4.852 -7.347
87 HB3 GLU 13 HB1 GLU 13 -0.257 -5.504 -8.852
88 HG2 GLU 13 HG2 GLU 13 -1.396 -7.159 -6.682
89 HG3 GLU 13 HG1 GLU 13 -2.384 -6.448 -7.966
90 H ILE 14 HN ILE 14 0.517 -3.849 -6.152
91 HA ILE 14 HA ILE 14 1.855 -2.156 -7.809
92 HB ILE 14 HB ILE 14 0.889 -1.870 -4.973
93 HG12 ILE 14 HG12 ILE 14 -0.216 -0.808 -7.567
94 HG13 ILE 14 HG11 ILE 14 -0.706 -2.332 -6.843
95 HG21 ILE 14 HG21 ILE 14 1.064 0.552 -5.265
96 HG22 ILE 14 HG22 ILE 14 1.864 0.286 -6.823
97 HG23 ILE 14 HG23 ILE 14 2.644 -0.242 -5.330
98 HD11 ILE 14 HD11 ILE 14 -1.010 0.392 -5.612
99 HD12 ILE 14 HD12 ILE 14 -1.502 -1.156 -4.901
100 HD13 ILE 14 HD13 ILE 14 -2.281 -0.575 -6.374
101 H VAL 15 HN VAL 15 2.715 -3.341 -4.558
102 HA VAL 15 HA VAL 15 5.234 -2.151 -4.316
103 HB VAL 15 HB VAL 15 4.212 -4.723 -3.078
104 HG11 VAL 15 HG11 VAL 15 6.662 -4.690 -2.999
105 HG12 VAL 15 HG12 VAL 15 5.981 -4.450 -1.391
106 HG13 VAL 15 HG13 VAL 15 6.622 -3.074 -2.292
107 HG21 VAL 15 HG21 VAL 15 3.846 -3.339 -1.101
108 HG22 VAL 15 HG22 VAL 15 2.920 -2.767 -2.489
109 HG23 VAL 15 HG23 VAL 15 4.389 -1.922 -2.001
110 H ASN 16 HN ASN 16 4.318 -5.283 -5.679
111 HA ASN 16 HA ASN 16 6.890 -6.293 -6.099
112 HB2 ASN 16 HB2 ASN 16 4.697 -7.517 -6.391
113 HB3 ASN 16 HB1 ASN 16 4.565 -6.733 -7.961
114 HD21 ASN 16 HD21 ASN 16 7.348 -8.114 -6.267
115 HD22 ASN 16 HD22 ASN 16 7.802 -9.215 -7.513
116 H GLU 17 HN GLU 17 4.832 -4.294 -8.098
117 HA GLU 17 HA GLU 17 6.564 -4.198 -10.336
118 HB2 GLU 17 HB2 GLU 17 4.150 -3.814 -10.475
119 HB3 GLU 17 HB1 GLU 17 4.314 -2.378 -9.484
120 HG2 GLU 17 HG2 GLU 17 5.618 -1.310 -11.239
121 HG3 GLU 17 HG1 GLU 17 5.483 -2.762 -12.232
122 H ILE 18 HN ILE 18 5.779 -1.782 -7.865
123 HA ILE 18 HA ILE 18 7.697 0.103 -8.891
124 HB ILE 18 HB ILE 18 5.956 0.226 -6.400
125 HG12 ILE 18 HG12 ILE 18 5.624 1.583 -9.044
126 HG13 ILE 18 HG11 ILE 18 4.849 0.028 -8.703
127 HG21 ILE 18 HG21 ILE 18 6.385 2.618 -6.485
128 HG22 ILE 18 HG22 ILE 18 7.532 2.368 -7.807
129 HG23 ILE 18 HG23 ILE 18 7.852 1.680 -6.209
130 HD11 ILE 18 HD11 ILE 18 3.321 1.876 -8.427
131 HD12 ILE 18 HD12 ILE 18 4.429 2.654 -7.294
132 HD13 ILE 18 HD13 ILE 18 3.649 1.131 -6.864
133 H ALA 19 HN ALA 19 7.439 -1.637 -5.776
134 HA ALA 19 HA ALA 19 9.949 -0.607 -4.792
135 HB1 ALA 19 HB1 ALA 19 9.568 -2.144 -2.931
136 HB2 ALA 19 HB2 ALA 19 8.194 -2.847 -3.792
137 HB3 ALA 19 HB3 ALA 19 8.144 -1.164 -3.275
138 H GLY 20 HN GLY 20 8.730 -3.482 -6.378
139 HA2 GLY 20 HA2 GLY 20 9.943 -5.018 -7.661
140 HA3 GLY 20 HA1 GLY 20 11.437 -4.436 -6.947
141 H ILE 21 HN ILE 21 8.983 -5.015 -4.735
142 HA ILE 21 HA ILE 21 10.472 -7.309 -3.713
143 HB ILE 21 HB ILE 21 8.355 -5.590 -2.379
144 HG12 ILE 21 HG12 ILE 21 10.413 -4.352 -2.736
145 HG13 ILE 21 HG11 ILE 21 10.225 -4.714 -1.025
146 HG21 ILE 21 HG21 ILE 21 10.056 -7.772 -1.180
147 HG22 ILE 21 HG22 ILE 21 8.313 -7.831 -1.446
148 HG23 ILE 21 HG23 ILE 21 8.987 -6.691 -0.283
149 HD11 ILE 21 HD11 ILE 21 12.034 -6.166 -2.955
150 HD12 ILE 21 HD12 ILE 21 11.845 -6.542 -1.242
151 HD13 ILE 21 HD13 ILE 21 12.536 -4.995 -1.734
152 HA PRO 22 HA PRO 22 7.674 -10.629 -5.068
153 HB2 PRO 22 HB2 PRO 22 7.880 -11.451 -2.296
154 HB3 PRO 22 HB1 PRO 22 8.464 -12.260 -3.751
155 HG2 PRO 22 HG2 PRO 22 9.922 -10.568 -1.873
156 HG3 PRO 22 HG1 PRO 22 10.556 -11.624 -3.145
157 HD2 PRO 22 HD2 PRO 22 10.733 -8.931 -3.324
158 HD3 PRO 22 HD1 PRO 22 10.447 -9.979 -4.743
159 H VAL 23 HN VAL 23 5.687 -10.507 -5.341
160 HA VAL 23 HA VAL 23 3.707 -9.049 -4.068
161 HB VAL 23 HB VAL 23 3.440 -11.787 -5.369
162 HG11 VAL 23 HG11 VAL 23 1.339 -9.670 -4.970
163 HG12 VAL 23 HG12 VAL 23 1.430 -11.230 -4.150
164 HG13 VAL 23 HG13 VAL 23 1.135 -11.163 -5.888
165 HG21 VAL 23 HG21 VAL 23 4.519 -10.232 -6.874
166 HG22 VAL 23 HG22 VAL 23 3.230 -9.059 -6.618
167 HG23 VAL 23 HG23 VAL 23 2.883 -10.590 -7.429
168 H GLU 24 HN GLU 24 5.048 -12.135 -3.385
169 HA GLU 24 HA GLU 24 3.075 -12.563 -1.421
170 HB2 GLU 24 HB2 GLU 24 5.063 -14.515 -2.496
171 HB3 GLU 24 HB1 GLU 24 3.886 -14.909 -1.244
172 HG2 GLU 24 HG2 GLU 24 2.074 -14.258 -2.760
173 HG3 GLU 24 HG1 GLU 24 3.271 -13.937 -4.016
174 H ASP 25 HN ASP 25 5.933 -11.110 -1.326
175 HA ASP 25 HA ASP 25 6.577 -12.022 1.383
176 HB2 ASP 25 HB2 ASP 25 8.422 -11.394 -0.285
177 HB3 ASP 25 HB1 ASP 25 7.878 -9.726 -0.119
178 H VAL 26 HN VAL 26 4.718 -9.927 -0.311
179 HA VAL 26 HA VAL 26 4.499 -7.760 1.569
180 HB VAL 26 HB VAL 26 2.822 -8.490 -0.864
181 HG11 VAL 26 HG11 VAL 26 2.041 -6.224 -0.829
182 HG12 VAL 26 HG12 VAL 26 2.928 -5.906 0.679
183 HG13 VAL 26 HG13 VAL 26 1.584 -7.072 0.649
184 HG21 VAL 26 HG21 VAL 26 4.062 -6.718 -1.998
185 HG22 VAL 26 HG22 VAL 26 5.126 -8.013 -1.443
186 HG23 VAL 26 HG23 VAL 26 5.047 -6.491 -0.553
187 H LYS 27 HN LYS 27 4.163 -9.328 3.263
188 HA LYS 27 HA LYS 27 1.506 -10.521 3.582
189 HB2 LYS 27 HB2 LYS 27 3.534 -10.176 5.750
190 HB3 LYS 27 HB1 LYS 27 2.295 -11.379 5.578
191 HG2 LYS 27 HG2 LYS 27 3.439 -12.499 3.814
192 HG3 LYS 27 HG1 LYS 27 4.688 -11.258 3.775
193 HD2 LYS 27 HD2 LYS 27 5.278 -11.821 6.102
194 HD3 LYS 27 HD1 LYS 27 4.067 -13.107 6.075
195 HE2 LYS 27 HE2 LYS 27 5.229 -14.165 4.242
196 HE3 LYS 27 HE1 LYS 27 6.447 -12.886 4.262
197 HZ1 LYS 27 HZ1 LYS 27 5.861 -14.803 6.440
198 HZ2 LYS 27 HZ2 LYS 27 6.995 -13.553 6.552
199 HZ3 LYS 27 HZ3 LYS 27 7.233 -14.825 5.438
200 H LEU 28 HN LEU 28 0.759 -10.010 5.957
201 HA LEU 28 HA LEU 28 -0.047 -7.188 5.623
202 HB2 LEU 28 HB2 LEU 28 -1.667 -9.176 5.837
203 HB3 LEU 28 HB1 LEU 28 -1.249 -9.157 7.531
204 HG LEU 28 HG LEU 28 -2.276 -6.653 6.304
205 HD11 LEU 28 HD11 LEU 28 -4.577 -7.446 6.687
206 HD12 LEU 28 HD12 LEU 28 -3.921 -9.047 7.089
207 HD13 LEU 28 HD13 LEU 28 -3.717 -8.389 5.461
208 HD21 LEU 28 HD21 LEU 28 -1.603 -6.682 8.673
209 HD22 LEU 28 HD22 LEU 28 -2.751 -7.987 8.986
210 HD23 LEU 28 HD23 LEU 28 -3.331 -6.390 8.497
211 H ASP 29 HN ASP 29 2.226 -8.632 7.342
212 HA ASP 29 HA ASP 29 1.972 -6.744 9.544
213 HB2 ASP 29 HB2 ASP 29 3.778 -7.894 10.514
214 HB3 ASP 29 HB1 ASP 29 2.550 -9.071 10.061
215 H LYS 30 HN LYS 30 3.076 -6.747 6.528
216 HA LYS 30 HA LYS 30 5.779 -5.791 6.859
217 HB2 LYS 30 HB2 LYS 30 3.991 -5.947 4.454
218 HB3 LYS 30 HB1 LYS 30 5.672 -5.444 4.399
219 HG2 LYS 30 HG2 LYS 30 4.824 -8.090 5.534
220 HG3 LYS 30 HG1 LYS 30 5.147 -7.859 3.819
221 HD2 LYS 30 HD2 LYS 30 7.419 -7.162 4.317
222 HD3 LYS 30 HD1 LYS 30 7.101 -7.305 6.049
223 HE2 LYS 30 HE2 LYS 30 6.926 -9.645 5.934
224 HE3 LYS 30 HE1 LYS 30 6.722 -9.625 4.187
225 HZ1 LYS 30 HZ1 LYS 30 8.903 -10.388 4.962
226 HZ2 LYS 30 HZ2 LYS 30 9.240 -8.852 5.565
227 HZ3 LYS 30 HZ3 LYS 30 8.985 -9.108 3.883
228 H SER 31 HN SER 31 6.407 -3.794 7.351
229 HA SER 31 HA SER 31 4.556 -1.550 7.133
230 HB2 SER 31 HB2 SER 31 6.407 -2.196 9.045
231 HB3 SER 31 HB1 SER 31 7.370 -1.202 7.999
232 HG SER 31 HG SER 31 5.334 0.263 8.175
233 H PHE 32 HN PHE 32 5.433 -2.572 4.594
234 HA PHE 32 HA PHE 32 6.353 -2.027 2.615
235 HB2 PHE 32 HB2 PHE 32 5.569 0.669 3.651
236 HB3 PHE 32 HB1 PHE 32 6.195 0.482 2.027
237 HD1 PHE 32 HD1 PHE 32 4.944 -1.484 0.677
238 HD2 PHE 32 HD2 PHE 32 3.347 0.672 3.963
239 HE1 PHE 32 HE1 PHE 32 2.669 -2.051 -0.060
240 HE2 PHE 32 HE2 PHE 32 1.076 0.124 3.234
241 HZ PHE 32 HZ PHE 32 0.752 -1.276 1.164
242 H THR 33 HN THR 33 7.625 1.063 3.564
243 HA THR 33 HA THR 33 10.171 0.574 2.586
244 HB THR 33 HB THR 33 10.150 2.835 4.208
245 HG1 THR 33 HG1 THR 33 7.987 3.228 4.397
246 HG21 THR 33 HG21 THR 33 11.082 2.608 1.975
247 HG22 THR 33 HG22 THR 33 9.892 3.930 1.999
248 HG23 THR 33 HG23 THR 33 9.476 2.358 1.313
249 H ASP 34 HN ASP 34 9.602 -1.221 4.778
250 HA ASP 34 HA ASP 34 11.987 -0.668 6.325
251 HB2 ASP 34 HB2 ASP 34 10.300 0.200 7.791
252 HB3 ASP 34 HB1 ASP 34 9.314 -1.248 7.612
253 H ASP 35 HN ASP 35 9.374 -3.052 6.551
254 HA ASP 35 HA ASP 35 11.316 -5.145 6.821
255 HB2 ASP 35 HB2 ASP 35 8.784 -4.967 7.754
256 HB3 ASP 35 HB1 ASP 35 8.493 -5.814 6.263
257 H LEU 36 HN LEU 36 9.065 -4.171 4.290
258 HA LEU 36 HA LEU 36 9.824 -6.240 2.437
259 HB2 LEU 36 HB2 LEU 36 8.495 -3.555 1.988
260 HB3 LEU 36 HB1 LEU 36 8.706 -4.771 0.752
261 HG LEU 36 HG LEU 36 7.041 -5.166 3.240
262 HD11 LEU 36 HD11 LEU 36 5.122 -4.855 1.755
263 HD12 LEU 36 HD12 LEU 36 6.210 -4.465 0.420
264 HD13 LEU 36 HD13 LEU 36 6.112 -3.396 1.820
265 HD21 LEU 36 HD21 LEU 36 7.905 -7.210 2.225
266 HD22 LEU 36 HD22 LEU 36 7.237 -6.716 0.664
267 HD23 LEU 36 HD23 LEU 36 6.162 -7.058 2.024
268 H ASP 37 HN ASP 37 10.361 -2.803 2.745
269 HA ASP 37 HA ASP 37 11.989 -1.415 2.376
270 HB2 ASP 37 HB2 ASP 37 13.685 -3.184 2.963
271 HB3 ASP 37 HB1 ASP 37 13.754 -3.608 1.253
272 H VAL 38 HN VAL 38 11.007 -0.272 1.098
273 HA VAL 38 HA VAL 38 10.683 -1.038 -1.695
274 HB VAL 38 HB VAL 38 9.414 1.234 -0.072
275 HG11 VAL 38 HG11 VAL 38 9.569 1.870 -2.431
276 HG12 VAL 38 HG12 VAL 38 7.895 1.571 -1.959
277 HG13 VAL 38 HG13 VAL 38 8.779 0.364 -2.893
278 HG21 VAL 38 HG21 VAL 38 8.237 -1.359 -1.059
279 HG22 VAL 38 HG22 VAL 38 7.353 -0.071 -0.243
280 HG23 VAL 38 HG23 VAL 38 8.620 -0.951 0.615
281 H ASP 39 HN ASP 39 10.870 2.246 -0.543
282 HA ASP 39 HA ASP 39 13.448 2.972 -0.750
283 HB2 ASP 39 HB2 ASP 39 12.983 2.378 -3.361
284 HB3 ASP 39 HB1 ASP 39 11.991 3.844 -3.161
285 H SER 40 HN SER 40 13.260 5.400 -1.261
286 HA SER 40 HA SER 40 11.084 6.161 0.519
287 HB2 SER 40 HB2 SER 40 13.594 6.757 0.890
288 HB3 SER 40 HB1 SER 40 13.322 8.001 -0.330
289 H LEU 41 HN LEU 41 12.285 6.617 -2.712
290 HA LEU 41 HA LEU 41 10.396 8.755 -3.263
291 HB2 LEU 41 HB2 LEU 41 12.327 7.326 -5.082
292 HB3 LEU 41 HB1 LEU 41 11.345 8.701 -5.538
293 HG LEU 41 HG LEU 41 13.545 8.713 -3.470
294 HD11 LEU 41 HD11 LEU 41 14.719 10.112 -5.086
295 HD12 LEU 41 HD12 LEU 41 13.401 9.896 -6.235
296 HD13 LEU 41 HD13 LEU 41 14.375 8.511 -5.739
297 HD21 LEU 41 HD21 LEU 41 13.214 11.139 -3.431
298 HD22 LEU 41 HD22 LEU 41 11.756 10.292 -2.911
299 HD23 LEU 41 HD23 LEU 41 11.848 10.977 -4.535
300 H SER 42 HN SER 42 10.778 5.315 -3.824
301 HA SER 42 HA SER 42 8.810 5.083 -5.819
302 HB2 SER 42 HB2 SER 42 9.966 2.986 -3.989
303 HB3 SER 42 HB1 SER 42 9.304 2.766 -5.612
304 HG SER 42 HG SER 42 10.948 4.083 -6.403
305 H MET 43 HN MET 43 8.727 5.493 -2.479
306 HA MET 43 HA MET 43 6.521 3.943 -1.709
307 HB2 MET 43 HB2 MET 43 8.091 4.912 -0.146
308 HB3 MET 43 HB1 MET 43 7.549 6.531 -0.573
309 HG2 MET 43 HG2 MET 43 6.629 5.616 1.532
310 HG3 MET 43 HG1 MET 43 5.429 6.166 0.350
311 HE1 MET 43 HE1 MET 43 7.307 2.984 1.715
312 HE2 MET 43 HE2 MET 43 7.486 2.936 -0.030
313 HE3 MET 43 HE3 MET 43 6.508 1.706 0.791
314 H VAL 44 HN VAL 44 6.814 7.207 -3.048
315 HA VAL 44 HA VAL 44 4.080 7.851 -2.620
316 HB VAL 44 HB VAL 44 6.057 9.244 -4.465
317 HG11 VAL 44 HG11 VAL 44 3.488 10.238 -3.226
318 HG12 VAL 44 HG12 VAL 44 3.734 9.849 -4.927
319 HG13 VAL 44 HG13 VAL 44 4.603 11.203 -4.197
320 HG21 VAL 44 HG21 VAL 44 5.389 9.801 -1.580
321 HG22 VAL 44 HG22 VAL 44 6.420 10.797 -2.607
322 HG23 VAL 44 HG23 VAL 44 6.910 9.154 -2.191
323 H GLU 45 HN GLU 45 5.821 6.114 -5.048
324 HA GLU 45 HA GLU 45 3.936 6.501 -7.135
325 HB2 GLU 45 HB2 GLU 45 5.934 4.269 -6.723
326 HB3 GLU 45 HB1 GLU 45 5.173 4.730 -8.238
327 HG2 GLU 45 HG2 GLU 45 7.097 6.418 -6.656
328 HG3 GLU 45 HG1 GLU 45 7.491 5.484 -8.095
329 H VAL 46 HN VAL 46 4.510 4.243 -4.527
330 HA VAL 46 HA VAL 46 2.511 2.322 -5.072
331 HB VAL 46 HB VAL 46 3.490 3.288 -2.350
332 HG11 VAL 46 HG11 VAL 46 2.784 1.088 -1.520
333 HG12 VAL 46 HG12 VAL 46 2.138 0.697 -3.113
334 HG13 VAL 46 HG13 VAL 46 1.426 2.006 -2.168
335 HG21 VAL 46 HG21 VAL 46 5.036 1.379 -2.423
336 HG22 VAL 46 HG22 VAL 46 5.346 2.529 -3.723
337 HG23 VAL 46 HG23 VAL 46 4.503 1.022 -4.069
338 H VAL 47 HN VAL 47 2.464 5.297 -3.187
339 HA VAL 47 HA VAL 47 -0.201 5.428 -2.406
340 HB VAL 47 HB VAL 47 1.587 7.693 -3.348
341 HG11 VAL 47 HG11 VAL 47 -0.893 7.814 -1.629
342 HG12 VAL 47 HG12 VAL 47 -0.753 8.391 -3.281
343 HG13 VAL 47 HG13 VAL 47 0.174 9.170 -1.999
344 HG21 VAL 47 HG21 VAL 47 1.122 6.599 -0.581
345 HG22 VAL 47 HG22 VAL 47 2.091 8.018 -0.977
346 HG23 VAL 47 HG23 VAL 47 2.589 6.424 -1.545
347 H VAL 48 HN VAL 48 1.184 7.083 -5.238
348 HA VAL 48 HA VAL 48 -1.063 7.889 -6.579
349 HB VAL 48 HB VAL 48 1.487 6.820 -7.847
350 HG11 VAL 48 HG11 VAL 48 -0.627 8.623 -9.036
351 HG12 VAL 48 HG12 VAL 48 -0.312 6.953 -9.499
352 HG13 VAL 48 HG13 VAL 48 0.907 8.194 -9.796
353 HG21 VAL 48 HG21 VAL 48 2.161 9.176 -7.946
354 HG22 VAL 48 HG22 VAL 48 1.898 8.641 -6.286
355 HG23 VAL 48 HG23 VAL 48 0.684 9.632 -7.098
356 H ALA 49 HN ALA 49 0.550 4.745 -7.064
357 HA ALA 49 HA ALA 49 -1.296 3.754 -8.930
358 HB1 ALA 49 HB1 ALA 49 0.961 2.834 -8.659
359 HB2 ALA 49 HB2 ALA 49 -0.276 1.582 -8.553
360 HB3 ALA 49 HB3 ALA 49 0.495 2.187 -7.087
361 H ALA 50 HN ALA 50 -1.202 3.512 -5.391
362 HA ALA 50 HA ALA 50 -3.207 1.585 -5.127
363 HB1 ALA 50 HB1 ALA 50 -1.697 2.181 -3.297
364 HB2 ALA 50 HB2 ALA 50 -3.386 2.295 -2.798
365 HB3 ALA 50 HB3 ALA 50 -2.473 3.760 -3.167
366 H GLU 51 HN GLU 51 -3.369 5.127 -5.178
367 HA GLU 51 HA GLU 51 -6.053 5.541 -4.617
368 HB2 GLU 51 HB2 GLU 51 -4.343 7.032 -6.596
369 HB3 GLU 51 HB1 GLU 51 -5.804 7.618 -5.824
370 HG2 GLU 51 HG2 GLU 51 -4.711 7.608 -3.675
371 HG3 GLU 51 HG1 GLU 51 -3.270 6.912 -4.377
372 H GLU 52 HN GLU 52 -4.458 4.652 -7.556
373 HA GLU 52 HA GLU 52 -6.800 4.865 -9.211
374 HB2 GLU 52 HB2 GLU 52 -4.608 5.380 -10.101
375 HB3 GLU 52 HB1 GLU 52 -4.047 3.761 -9.720
376 HG2 GLU 52 HG2 GLU 52 -5.690 2.858 -11.300
377 HG3 GLU 52 HG1 GLU 52 -6.146 4.508 -11.734
378 H ARG 53 HN ARG 53 -4.806 2.237 -7.889
379 HA ARG 53 HA ARG 53 -5.987 0.123 -9.345
380 HB2 ARG 53 HB2 ARG 53 -3.734 0.099 -8.247
381 HB3 ARG 53 HB1 ARG 53 -4.544 -0.018 -6.696
382 HG2 ARG 53 HG2 ARG 53 -3.781 -2.197 -7.346
383 HG3 ARG 53 HG1 ARG 53 -5.545 -2.170 -7.445
384 HD2 ARG 53 HD2 ARG 53 -5.427 -1.817 -9.838
385 HD3 ARG 53 HD1 ARG 53 -3.669 -1.754 -9.764
386 HE ARG 53 HE ARG 53 -5.040 -4.176 -8.882
387 HH11 ARG 53 HH11 ARG 53 -2.675 -2.660 -11.015
388 HH12 ARG 53 HH12 ARG 53 -2.480 -4.040 -12.013
389 HH21 ARG 53 HH21 ARG 53 -4.747 -6.077 -10.196
390 HH22 ARG 53 HH22 ARG 53 -3.642 -6.041 -11.501
391 H PHE 54 HN PHE 54 -6.590 1.532 -6.230
392 HA PHE 54 HA PHE 54 -8.626 -0.472 -5.644
393 HB2 PHE 54 HB2 PHE 54 -7.338 1.660 -3.964
394 HB3 PHE 54 HB1 PHE 54 -8.556 0.541 -3.396
395 HD1 PHE 54 HD2 PHE 54 -5.123 0.741 -4.768
396 HD2 PHE 54 HD1 PHE 54 -7.919 -1.584 -2.579
397 HE1 PHE 54 HE2 PHE 54 -3.364 -0.901 -4.228
398 HE2 PHE 54 HE1 PHE 54 -6.156 -3.193 -2.035
399 HZ PHE 54 HZ PHE 54 -3.840 -2.724 -2.691
400 H ASP 55 HN ASP 55 -8.364 2.534 -7.041
401 HA ASP 55 HA ASP 55 -9.706 4.240 -7.590
402 HB2 ASP 55 HB2 ASP 55 -11.865 2.242 -6.927
403 HB3 ASP 55 HB1 ASP 55 -12.243 3.861 -7.499
404 H VAL 56 HN VAL 56 -8.938 3.784 -4.737
405 HA VAL 56 HA VAL 56 -10.854 5.645 -3.557
406 HB VAL 56 HB VAL 56 -10.787 3.591 -2.282
407 HG11 VAL 56 HG11 VAL 56 -8.766 2.753 -1.178
408 HG12 VAL 56 HG12 VAL 56 -7.818 3.981 -2.020
409 HG13 VAL 56 HG13 VAL 56 -8.635 2.716 -2.936
410 HG21 VAL 56 HG21 VAL 56 -10.139 4.415 -0.071
411 HG22 VAL 56 HG22 VAL 56 -11.041 5.618 -0.995
412 HG23 VAL 56 HG23 VAL 56 -9.290 5.763 -0.831
413 H LYS 57 HN LYS 57 -10.211 7.572 -3.219
414 HA LYS 57 HA LYS 57 -7.603 8.437 -4.032
415 HB2 LYS 57 HB2 LYS 57 -9.624 9.803 -4.425
416 HB3 LYS 57 HB1 LYS 57 -9.853 9.964 -2.693
417 HG2 LYS 57 HG2 LYS 57 -8.889 11.987 -3.609
418 HG3 LYS 57 HG1 LYS 57 -7.723 11.193 -2.546
419 HD2 LYS 57 HD2 LYS 57 -6.612 10.223 -4.497
420 HD3 LYS 57 HD1 LYS 57 -7.779 11.014 -5.554
421 HE2 LYS 57 HE2 LYS 57 -5.839 12.405 -3.708
422 HE3 LYS 57 HE1 LYS 57 -5.651 12.229 -5.449
423 HZ1 LYS 57 HZ1 LYS 57 -7.802 13.484 -5.656
424 HZ2 LYS 57 HZ2 LYS 57 -6.508 14.361 -5.107
425 HZ3 LYS 57 HZ3 LYS 57 -7.671 13.861 -4.000
426 H ILE 58 HN ILE 58 -5.998 7.833 -2.786
427 HA ILE 58 HA ILE 58 -6.066 8.696 0.025
428 HB ILE 58 HB ILE 58 -4.258 6.498 -0.975
429 HG12 ILE 58 HG12 ILE 58 -6.943 6.053 0.334
430 HG13 ILE 58 HG11 ILE 58 -6.645 5.837 -1.382
431 HG21 ILE 58 HG21 ILE 58 -3.657 7.539 1.145
432 HG22 ILE 58 HG22 ILE 58 -4.252 5.908 1.452
433 HG23 ILE 58 HG23 ILE 58 -5.296 7.291 1.758
434 HD11 ILE 58 HD11 ILE 58 -6.596 3.719 -0.204
435 HD12 ILE 58 HD12 ILE 58 -5.288 4.313 0.827
436 HD13 ILE 58 HD13 ILE 58 -5.030 4.117 -0.912
437 HA PRO 59 HA PRO 59 -2.815 10.885 -2.342
438 HB2 PRO 59 HB2 PRO 59 -2.977 13.207 -0.947
439 HB3 PRO 59 HB1 PRO 59 -4.053 12.840 -2.301
440 HG2 PRO 59 HG2 PRO 59 -4.562 12.634 0.635
441 HG3 PRO 59 HG1 PRO 59 -5.633 13.219 -0.651
442 HD2 PRO 59 HD2 PRO 59 -5.821 10.732 0.431
443 HD3 PRO 59 HD1 PRO 59 -6.283 11.101 -1.241
444 H ASP 60 HN ASP 60 -0.733 11.662 -1.587
445 HA ASP 60 HA ASP 60 0.511 10.156 0.318
446 HB2 ASP 60 HB2 ASP 60 2.403 11.716 0.282
447 HB3 ASP 60 HB1 ASP 60 1.765 11.482 -1.337
448 H ASP 61 HN ASP 61 -1.220 13.126 0.820
449 HA ASP 61 HA ASP 61 -0.445 13.779 3.414
450 HB2 ASP 61 HB2 ASP 61 -1.763 15.249 1.967
451 HB3 ASP 61 HB1 ASP 61 -3.139 14.166 2.112
452 H ASP 62 HN ASP 62 -3.250 11.753 2.389
453 HA ASP 62 HA ASP 62 -3.971 11.000 5.094
454 HB2 ASP 62 HB2 ASP 62 -4.809 9.962 2.385
455 HB3 ASP 62 HB1 ASP 62 -5.350 9.217 3.876
456 H VAL 63 HN VAL 63 -2.047 9.768 2.596
457 HA VAL 63 HA VAL 63 -1.669 7.190 3.530
458 HB VAL 63 HB VAL 63 -0.224 9.022 1.714
459 HG11 VAL 63 HG11 VAL 63 1.617 7.810 2.831
460 HG12 VAL 63 HG12 VAL 63 1.435 7.254 1.164
461 HG13 VAL 63 HG13 VAL 63 0.806 6.279 2.494
462 HG21 VAL 63 HG21 VAL 63 -2.113 7.875 0.893
463 HG22 VAL 63 HG22 VAL 63 -1.440 6.318 1.374
464 HG23 VAL 63 HG23 VAL 63 -0.673 7.254 0.090
465 H LYS 64 HN LYS 64 -0.474 10.153 4.751
466 HA LYS 64 HA LYS 64 1.750 9.095 6.101
467 HB2 LYS 64 HB2 LYS 64 0.268 11.646 6.695
468 HB3 LYS 64 HB1 LYS 64 1.833 11.206 7.366
469 HG2 LYS 64 HG2 LYS 64 2.722 11.098 5.058
470 HG3 LYS 64 HG1 LYS 64 1.170 11.692 4.483
471 HD2 LYS 64 HD2 LYS 64 3.023 13.162 6.369
472 HD3 LYS 64 HD1 LYS 64 2.882 13.442 4.638
473 HE2 LYS 64 HE2 LYS 64 1.627 15.158 5.652
474 HE3 LYS 64 HE1 LYS 64 0.444 13.998 5.068
475 HZ1 LYS 64 HZ1 LYS 64 -0.001 14.912 7.266
476 HZ2 LYS 64 HZ2 LYS 64 1.385 14.177 7.880
477 HZ3 LYS 64 HZ3 LYS 64 0.093 13.227 7.330
478 H ASN 65 HN ASN 65 -1.337 8.316 6.675
479 HA ASN 65 HA ASN 65 -1.049 8.133 9.579
480 HB2 ASN 65 HB2 ASN 65 -3.074 9.379 8.773
481 HB3 ASN 65 HB1 ASN 65 -3.552 7.964 7.851
482 HD21 ASN 65 HD21 ASN 65 -5.535 7.863 8.952
483 HD22 ASN 65 HD22 ASN 65 -5.655 7.311 10.571
484 H LEU 66 HN LEU 66 -0.796 6.635 6.632
485 HA LEU 66 HA LEU 66 -1.483 3.943 7.553
486 HB2 LEU 66 HB2 LEU 66 -0.560 4.877 4.828
487 HB3 LEU 66 HB1 LEU 66 -1.244 3.323 5.240
488 HG LEU 66 HG LEU 66 -2.723 5.955 5.098
489 HD11 LEU 66 HD11 LEU 66 -2.138 5.037 2.937
490 HD12 LEU 66 HD12 LEU 66 -3.877 4.905 3.224
491 HD13 LEU 66 HD13 LEU 66 -2.840 3.487 3.399
492 HD21 LEU 66 HD21 LEU 66 -4.753 4.631 5.454
493 HD22 LEU 66 HD22 LEU 66 -3.678 4.543 6.853
494 HD23 LEU 66 HD23 LEU 66 -3.772 3.196 5.717
495 H LYS 67 HN LYS 67 0.122 2.501 7.589
496 HA LYS 67 HA LYS 67 2.824 3.319 6.954
497 HB2 LYS 67 HB2 LYS 67 3.596 2.617 9.347
498 HB3 LYS 67 HB1 LYS 67 2.980 4.228 9.042
499 HG2 LYS 67 HG2 LYS 67 2.059 3.441 11.094
500 HG3 LYS 67 HG1 LYS 67 0.785 3.519 9.866
501 HD2 LYS 67 HD2 LYS 67 0.953 1.095 9.545
502 HD3 LYS 67 HD1 LYS 67 2.292 1.018 10.684
503 HE2 LYS 67 HE2 LYS 67 -0.538 1.823 11.312
504 HE3 LYS 67 HE1 LYS 67 0.200 0.271 11.690
505 HZ1 LYS 67 HZ1 LYS 67 0.917 2.921 12.855
506 HZ2 LYS 67 HZ2 LYS 67 1.808 1.496 13.102
507 HZ3 LYS 67 HZ3 LYS 67 0.201 1.582 13.611
508 H THR 68 HN THR 68 0.617 0.828 7.187
509 HA THR 68 HA THR 68 2.719 -0.997 6.418
510 HB THR 68 HB THR 68 1.391 -2.841 7.511
511 HG1 THR 68 HG1 THR 68 -0.021 -2.356 9.104
512 HG21 THR 68 HG21 THR 68 3.490 -2.146 8.466
513 HG22 THR 68 HG22 THR 68 2.345 -2.542 9.747
514 HG23 THR 68 HG23 THR 68 2.697 -0.846 9.363
515 H VAL 69 HN VAL 69 1.702 -2.902 5.435
516 HA VAL 69 HA VAL 69 -0.021 -2.312 3.323
517 HB VAL 69 HB VAL 69 -0.287 -4.916 3.345
518 HG11 VAL 69 HG11 VAL 69 1.342 -3.684 1.908
519 HG12 VAL 69 HG12 VAL 69 2.019 -5.201 2.507
520 HG13 VAL 69 HG13 VAL 69 2.479 -3.672 3.254
521 HG21 VAL 69 HG21 VAL 69 1.424 -6.027 4.660
522 HG22 VAL 69 HG22 VAL 69 0.202 -5.247 5.650
523 HG23 VAL 69 HG23 VAL 69 1.794 -4.500 5.455
524 H GLY 70 HN GLY 70 -0.657 -3.988 6.402
525 HA2 GLY 70 HA2 GLY 70 -3.408 -4.322 6.063
526 HA3 GLY 70 HA1 GLY 70 -2.549 -4.325 7.598
527 H ASP 71 HN ASP 71 -1.527 -1.580 7.296
528 HA ASP 71 HA ASP 71 -3.763 -0.233 8.436
529 HB2 ASP 71 HB2 ASP 71 -1.187 0.263 8.786
530 HB3 ASP 71 HB1 ASP 71 -1.391 1.247 7.348
531 H ALA 72 HN ALA 72 -2.055 -0.044 5.348
532 HA ALA 72 HA ALA 72 -3.585 1.929 4.105
533 HB1 ALA 72 HB1 ALA 72 -1.515 1.031 3.125
534 HB2 ALA 72 HB2 ALA 72 -2.852 0.915 1.983
535 HB3 ALA 72 HB3 ALA 72 -2.314 -0.520 2.861
536 H THR 73 HN THR 73 -3.947 -1.615 3.892
537 HA THR 73 HA THR 73 -6.359 -1.908 2.776
538 HB THR 73 HB THR 73 -5.240 -3.387 5.156
539 HG1 THR 73 HG1 THR 73 -3.786 -3.539 3.528
540 HG21 THR 73 HG21 THR 73 -7.271 -4.229 3.079
541 HG22 THR 73 HG22 THR 73 -7.621 -3.887 4.767
542 HG23 THR 73 HG23 THR 73 -6.609 -5.276 4.341
543 H LYS 74 HN LYS 74 -5.819 -1.245 6.276
544 HA LYS 74 HA LYS 74 -8.485 -1.354 7.095
545 HB2 LYS 74 HB2 LYS 74 -6.484 -1.340 8.587
546 HB3 LYS 74 HB1 LYS 74 -6.276 0.367 8.242
547 HG2 LYS 74 HG2 LYS 74 -7.321 0.039 10.405
548 HG3 LYS 74 HG1 LYS 74 -8.442 0.833 9.296
549 HD2 LYS 74 HD2 LYS 74 -9.585 -1.264 8.897
550 HD3 LYS 74 HD1 LYS 74 -8.412 -2.127 9.894
551 HE2 LYS 74 HE2 LYS 74 -10.473 -1.745 11.129
552 HE3 LYS 74 HE1 LYS 74 -9.141 -0.849 11.849
553 HZ1 LYS 74 HZ1 LYS 74 -11.189 0.404 11.727
554 HZ2 LYS 74 HZ2 LYS 74 -11.210 0.338 10.047
555 HZ3 LYS 74 HZ3 LYS 74 -9.964 1.169 10.875
556 H TYR 75 HN TYR 75 -6.766 1.171 5.459
557 HA TYR 75 HA TYR 75 -8.802 3.181 5.893
558 HB2 TYR 75 HB2 TYR 75 -6.378 3.732 5.613
559 HB3 TYR 75 HB1 TYR 75 -6.460 3.129 3.968
560 HD1 TYR 75 HD2 TYR 75 -7.781 4.413 2.258
561 HD2 TYR 75 HD1 TYR 75 -7.108 5.915 6.178
562 HE1 TYR 75 HE2 TYR 75 -8.374 6.672 1.494
563 HE2 TYR 75 HE1 TYR 75 -7.690 8.177 5.406
564 HH TYR 75 HH TYR 75 -7.828 9.455 3.432
565 H ILE 76 HN ILE 76 -7.534 1.278 3.212
566 HA ILE 76 HA ILE 76 -9.326 2.033 1.213
567 HB ILE 76 HB ILE 76 -7.790 -0.554 1.517
568 HG12 ILE 76 HG12 ILE 76 -7.063 1.963 0.007
569 HG13 ILE 76 HG11 ILE 76 -6.434 1.541 1.593
570 HG21 ILE 76 HG21 ILE 76 -8.991 0.757 -0.932
571 HG22 ILE 76 HG22 ILE 76 -9.596 -0.698 -0.141
572 HG23 ILE 76 HG23 ILE 76 -8.014 -0.714 -0.927
573 HD11 ILE 76 HD11 ILE 76 -5.402 -0.446 0.652
574 HD12 ILE 76 HD12 ILE 76 -4.846 1.024 -0.159
575 HD13 ILE 76 HD13 ILE 76 -6.035 -0.026 -0.940
576 H LEU 77 HN LEU 77 -9.362 -0.840 3.289
577 HA LEU 77 HA LEU 77 -11.624 -2.153 2.392
578 HB2 LEU 77 HB2 LEU 77 -10.128 -3.063 4.056
579 HB3 LEU 77 HB1 LEU 77 -10.576 -1.815 5.196
580 HG LEU 77 HG LEU 77 -12.878 -2.761 5.216
581 HD11 LEU 77 HD11 LEU 77 -12.850 -3.891 3.089
582 HD12 LEU 77 HD12 LEU 77 -13.210 -5.022 4.392
583 HD13 LEU 77 HD13 LEU 77 -11.602 -4.995 3.671
584 HD21 LEU 77 HD21 LEU 77 -11.285 -3.246 6.979
585 HD22 LEU 77 HD22 LEU 77 -10.635 -4.592 6.044
586 HD23 LEU 77 HD23 LEU 77 -12.291 -4.655 6.647
587 H ASP 78 HN ASP 78 -11.341 0.510 4.583
588 HA ASP 78 HA ASP 78 -14.121 0.506 5.389
589 HB2 ASP 78 HB2 ASP 78 -12.233 1.258 6.825
590 HB3 ASP 78 HB1 ASP 78 -12.037 2.647 5.773
591 H HIS 79 HN HIS 79 -12.045 2.478 3.430
592 HA HIS 79 HA HIS 79 -14.032 4.352 2.676
593 HB2 HIS 79 HB2 HIS 79 -11.219 3.890 2.180
594 HB3 HIS 79 HB1 HIS 79 -11.985 4.694 0.843
595 HD1 HIS 79 HD1 HIS 79 -12.589 7.134 1.206
596 HD2 HIS 79 HD2 HIS 79 -11.245 5.285 4.668
597 HE1 HIS 79 HE1 HIS 79 -12.115 9.001 2.834
598 HE2 HIS 79 HE2 HIS 79 -11.764 7.802 4.989
599 H GLN 80 HN GLN 80 -12.399 1.805 0.803
600 HA GLN 80 HA GLN 80 -12.602 1.199 -1.376
601 HB2 GLN 80 HB2 GLN 80 -15.196 0.611 -0.126
602 HB3 GLN 80 HB1 GLN 80 -14.821 0.005 -1.742
603 HG2 GLN 80 HG2 GLN 80 -13.367 -0.606 0.830
604 HG3 GLN 80 HG1 GLN 80 -14.411 -1.692 -0.088
605 HE21 GLN 80 HE21 GLN 80 -11.617 -1.887 0.692
606 HE22 GLN 80 HE22 GLN 80 -10.745 -2.185 -0.777
607 H ALA 81 HN ALA 81 -12.375 2.722 -2.788
608 HA ALA 81 HA ALA 81 -12.761 4.239 -4.325
609 HB1 ALA 81 HB1 ALA 81 -14.657 3.865 -5.821
610 HB2 ALA 81 HB2 ALA 81 -15.424 2.839 -4.609
611 HB3 ALA 81 HB3 ALA 81 -13.910 2.334 -5.363
612 H2 SHW 101 H2A SHW 101 2.725 6.138 3.618
613 H2A SHW 101 H2B SHW 101 3.751 5.480 2.347
614 H3 SHW 101 H3A SHW 101 3.107 4.246 5.066
615 HO3 SHW 101 HO3 SHW 101 4.765 3.379 2.924
616 H4 SHW 101 H4A SHW 101 1.231 4.191 3.466
617 H4A SHW 101 H4B SHW 101 1.875 2.577 3.727
618 H5 SHW 101 H5A SHW 101 3.105 2.718 1.617
619 H5A SHW 101 H5B SHW 101 2.482 4.342 1.354
620 H6 SHW 101 H6A SHW 101 0.770 1.873 1.558
621 H6A SHW 101 H6B SHW 101 1.281 2.623 0.049
622 H7 SHW 101 H7A SHW 101 0.119 4.697 0.700
623 H7A SHW 101 H7B SHW 101 -0.445 3.884 2.173
624 H8 SHW 101 H8C SHW 101 -2.143 3.839 0.404
625 H8A SHW 101 H8A SHW 101 -1.579 2.212 0.789
626 H8B SHW 101 H8B SHW 101 -1.000 3.024 -0.666
627 H28 SHW 101 H28A SHW 101 11.798 10.946 -0.647
628 H28A SHW 101 H28B SHW 101 10.803 9.571 -0.166
629 H30 SHW 101 H30A SHW 101 9.425 13.552 0.048
630 H30A SHW 101 H30B SHW 101 10.944 13.119 -0.740
631 H30B SHW 101 H30C SHW 101 10.813 13.060 1.018
632 H31 SHW 101 H31A SHW 101 8.246 11.858 -1.388
633 H31A SHW 101 H31B SHW 101 8.840 10.198 -1.417
634 H31B SHW 101 H31C SHW 101 9.798 11.488 -2.143
635 H32 SHW 101 H32A SHW 101 9.281 11.402 2.142
636 HO33 SHW 101 H33A SHW 101 6.979 11.170 0.890
637 HN36 SHW 101 H36A SHW 101 10.122 9.203 2.045
638 H37 SHW 101 H37A SHW 101 7.943 7.190 1.914
639 H37A SHW 101 H37B SHW 101 9.472 6.861 1.115
640 H38 SHW 101 H38A SHW 101 9.419 5.729 3.215
641 H38A SHW 101 H38B SHW 101 10.641 7.010 3.300
642 HN41 SHW 101 H41A SHW 101 7.407 7.990 3.388
643 H42 SHW 101 H42A SHW 101 6.861 7.940 6.235
644 H42A SHW 101 H42B SHW 101 7.318 9.470 5.560
645 H43 SHW 101 H43A SHW 101 5.555 9.094 3.733
646 H43A SHW 101 H43B SHW 101 5.191 9.734 5.318
Start of MODEL 19
1 H1 ALA 1 HT1 ALA 1 -14.106 -1.140 -2.737
2 H2 ALA 1 HT2 ALA 1 -15.720 -0.592 -2.953
3 H3 ALA 1 HT3 ALA 1 -15.071 -1.785 -3.921
4 HA ALA 1 HA ALA 1 -15.305 -2.226 -1.026
5 HB1 ALA 1 HB1 ALA 1 -17.541 -2.005 -2.016
6 HB2 ALA 1 HB2 ALA 1 -17.208 -3.687 -1.601
7 HB3 ALA 1 HB3 ALA 1 -17.102 -3.154 -3.279
8 H ALA 2 HN ALA 2 -13.616 -3.849 -0.523
9 HA ALA 2 HA ALA 2 -13.346 -5.875 -2.510
10 HB1 ALA 2 HB1 ALA 2 -11.804 -4.162 -3.332
11 HB2 ALA 2 HB2 ALA 2 -10.932 -5.563 -2.713
12 HB3 ALA 2 HB3 ALA 2 -11.034 -4.089 -1.748
13 H THR 3 HN THR 3 -12.732 -7.686 -1.606
14 HA THR 3 HA THR 3 -12.775 -8.040 1.174
15 HB THR 3 HB THR 3 -11.445 -9.817 -0.899
16 HG1 THR 3 HG1 THR 3 -13.390 -9.588 -1.798
17 HG21 THR 3 HG21 THR 3 -12.267 -11.608 0.572
18 HG22 THR 3 HG22 THR 3 -12.991 -10.377 1.622
19 HG23 THR 3 HG23 THR 3 -11.238 -10.470 1.460
20 H GLN 4 HN GLN 4 -11.059 -7.959 2.587
21 HA GLN 4 HA GLN 4 -9.027 -6.229 2.071
22 HB2 GLN 4 HB2 GLN 4 -9.135 -8.309 4.207
23 HB3 GLN 4 HB1 GLN 4 -7.989 -6.972 4.170
24 HG2 GLN 4 HG2 GLN 4 -9.885 -5.404 4.084
25 HG3 GLN 4 HG1 GLN 4 -10.977 -6.720 4.209
26 HE21 GLN 4 HE21 GLN 4 -8.582 -4.896 5.946
27 HE22 GLN 4 HE22 GLN 4 -8.956 -5.467 7.522
28 H GLU 5 HN GLU 5 -8.936 -9.651 1.687
29 HA GLU 5 HA GLU 5 -6.155 -10.095 1.277
30 HB2 GLU 5 HB2 GLU 5 -8.485 -11.471 -0.063
31 HB3 GLU 5 HB1 GLU 5 -6.827 -12.045 -0.059
32 HG2 GLU 5 HG2 GLU 5 -6.931 -12.309 2.361
33 HG3 GLU 5 HG1 GLU 5 -8.597 -11.728 2.344
34 H GLU 6 HN GLU 6 -8.671 -8.984 -0.856
35 HA GLU 6 HA GLU 6 -7.125 -9.046 -3.266
36 HB2 GLU 6 HB2 GLU 6 -9.626 -9.238 -3.112
37 HB3 GLU 6 HB1 GLU 6 -9.674 -7.565 -2.594
38 HG2 GLU 6 HG2 GLU 6 -10.266 -7.697 -4.899
39 HG3 GLU 6 HG1 GLU 6 -8.684 -6.924 -4.767
40 H ILE 7 HN ILE 7 -7.760 -6.864 -0.675
41 HA ILE 7 HA ILE 7 -6.842 -4.469 -1.903
42 HB ILE 7 HB ILE 7 -6.884 -5.217 1.024
43 HG12 ILE 7 HG12 ILE 7 -9.103 -4.067 -0.698
44 HG13 ILE 7 HG11 ILE 7 -9.070 -5.596 0.132
45 HG21 ILE 7 HG21 ILE 7 -7.058 -2.794 1.399
46 HG22 ILE 7 HG22 ILE 7 -6.989 -2.518 -0.338
47 HG23 ILE 7 HG23 ILE 7 -5.593 -3.194 0.503
48 HD11 ILE 7 HD11 ILE 7 -9.087 -4.505 2.287
49 HD12 ILE 7 HD12 ILE 7 -10.464 -4.000 1.309
50 HD13 ILE 7 HD13 ILE 7 -9.075 -2.927 1.502
51 H VAL 8 HN VAL 8 -5.456 -6.639 0.547
52 HA VAL 8 HA VAL 8 -2.865 -5.675 0.591
53 HB VAL 8 HB VAL 8 -3.960 -8.455 1.123
54 HG11 VAL 8 HG11 VAL 8 -1.837 -8.933 2.253
55 HG12 VAL 8 HG12 VAL 8 -1.190 -7.390 1.680
56 HG13 VAL 8 HG13 VAL 8 -1.626 -8.656 0.524
57 HG21 VAL 8 HG21 VAL 8 -3.045 -6.236 2.946
58 HG22 VAL 8 HG22 VAL 8 -3.676 -7.796 3.476
59 HG23 VAL 8 HG23 VAL 8 -4.715 -6.653 2.615
60 H ALA 9 HN ALA 9 -4.227 -8.294 -1.393
61 HA ALA 9 HA ALA 9 -1.828 -8.838 -2.736
62 HB1 ALA 9 HB1 ALA 9 -4.636 -9.384 -3.692
63 HB2 ALA 9 HB2 ALA 9 -3.676 -10.439 -2.654
64 HB3 ALA 9 HB3 ALA 9 -3.164 -10.130 -4.313
65 H GLY 10 HN GLY 10 -4.398 -6.516 -3.363
66 HA2 GLY 10 HA2 GLY 10 -3.650 -5.629 -5.966
67 HA3 GLY 10 HA1 GLY 10 -4.494 -4.678 -4.771
68 H LEU 11 HN LEU 11 -2.785 -4.606 -2.730
69 HA LEU 11 HA LEU 11 -0.935 -2.609 -3.395
70 HB2 LEU 11 HB2 LEU 11 -0.979 -4.502 -1.044
71 HB3 LEU 11 HB1 LEU 11 0.061 -3.103 -1.171
72 HG LEU 11 HG LEU 11 -2.954 -2.982 -1.106
73 HD11 LEU 11 HD11 LEU 11 -2.663 -2.202 1.191
74 HD12 LEU 11 HD12 LEU 11 -0.926 -2.486 1.068
75 HD13 LEU 11 HD13 LEU 11 -2.050 -3.843 0.988
76 HD21 LEU 11 HD21 LEU 11 -2.581 -0.603 -0.687
77 HD22 LEU 11 HD22 LEU 11 -1.887 -1.089 -2.234
78 HD23 LEU 11 HD23 LEU 11 -0.840 -0.846 -0.835
79 H ALA 12 HN ALA 12 -0.522 -6.024 -2.715
80 HA ALA 12 HA ALA 12 2.210 -6.276 -2.940
81 HB1 ALA 12 HB1 ALA 12 1.817 -8.649 -3.257
82 HB2 ALA 12 HB2 ALA 12 0.141 -8.328 -3.691
83 HB3 ALA 12 HB3 ALA 12 0.710 -7.993 -2.058
84 H GLU 13 HN GLU 13 -0.205 -6.594 -5.537
85 HA GLU 13 HA GLU 13 1.783 -7.195 -7.472
86 HB2 GLU 13 HB2 GLU 13 -0.015 -6.893 -9.177
87 HB3 GLU 13 HB1 GLU 13 -0.411 -8.035 -7.905
88 HG2 GLU 13 HG2 GLU 13 -1.734 -6.264 -6.799
89 HG3 GLU 13 HG1 GLU 13 -1.394 -5.210 -8.170
90 H ILE 14 HN ILE 14 0.711 -4.268 -6.234
91 HA ILE 14 HA ILE 14 1.849 -2.663 -8.364
92 HB ILE 14 HB ILE 14 0.733 -1.984 -5.629
93 HG12 ILE 14 HG12 ILE 14 -0.403 -1.471 -8.370
94 HG13 ILE 14 HG11 ILE 14 -0.804 -2.868 -7.377
95 HG21 ILE 14 HG21 ILE 14 1.584 -0.107 -7.837
96 HG22 ILE 14 HG22 ILE 14 2.395 -0.311 -6.283
97 HG23 ILE 14 HG23 ILE 14 0.762 0.362 -6.346
98 HD11 ILE 14 HD11 ILE 14 -1.662 -1.429 -5.673
99 HD12 ILE 14 HD12 ILE 14 -2.483 -1.156 -7.212
100 HD13 ILE 14 HD13 ILE 14 -1.266 0.002 -6.633
101 H VAL 15 HN VAL 15 2.583 -3.581 -5.061
102 HA VAL 15 HA VAL 15 4.971 -2.145 -4.741
103 HB VAL 15 HB VAL 15 4.066 -4.708 -3.400
104 HG11 VAL 15 HG11 VAL 15 6.333 -2.870 -2.598
105 HG12 VAL 15 HG12 VAL 15 6.506 -4.511 -3.215
106 HG13 VAL 15 HG13 VAL 15 5.736 -4.235 -1.654
107 HG21 VAL 15 HG21 VAL 15 3.527 -3.233 -1.525
108 HG22 VAL 15 HG22 VAL 15 2.635 -2.804 -2.985
109 HG23 VAL 15 HG23 VAL 15 4.027 -1.844 -2.490
110 H ASN 16 HN ASN 16 4.424 -5.435 -5.920
111 HA ASN 16 HA ASN 16 7.144 -6.136 -6.209
112 HB2 ASN 16 HB2 ASN 16 5.062 -7.640 -6.386
113 HB3 ASN 16 HB1 ASN 16 4.971 -7.102 -8.060
114 HD21 ASN 16 HD21 ASN 16 7.770 -7.920 -6.049
115 HD22 ASN 16 HD22 ASN 16 8.366 -9.159 -7.097
116 H GLU 17 HN GLU 17 4.994 -4.269 -8.132
117 HA GLU 17 HA GLU 17 6.542 -4.230 -10.544
118 HB2 GLU 17 HB2 GLU 17 4.102 -4.047 -10.539
119 HB3 GLU 17 HB1 GLU 17 4.200 -2.581 -9.584
120 HG2 GLU 17 HG2 GLU 17 3.702 -2.058 -11.852
121 HG3 GLU 17 HG1 GLU 17 5.314 -1.462 -11.456
122 H ILE 18 HN ILE 18 5.752 -1.834 -8.034
123 HA ILE 18 HA ILE 18 7.617 0.097 -9.145
124 HB ILE 18 HB ILE 18 5.743 0.296 -6.753
125 HG12 ILE 18 HG12 ILE 18 5.585 1.653 -9.396
126 HG13 ILE 18 HG11 ILE 18 4.789 0.082 -9.148
127 HG21 ILE 18 HG21 ILE 18 6.179 2.684 -6.848
128 HG22 ILE 18 HG22 ILE 18 7.372 2.427 -8.120
129 HG23 ILE 18 HG23 ILE 18 7.655 1.784 -6.501
130 HD11 ILE 18 HD11 ILE 18 3.471 1.196 -7.365
131 HD12 ILE 18 HD12 ILE 18 3.241 1.920 -8.957
132 HD13 ILE 18 HD13 ILE 18 4.275 2.711 -7.768
133 H ALA 19 HN ALA 19 7.261 -1.520 -5.969
134 HA ALA 19 HA ALA 19 9.682 -0.370 -4.895
135 HB1 ALA 19 HB1 ALA 19 7.795 -0.945 -3.469
136 HB2 ALA 19 HB2 ALA 19 9.249 -1.820 -2.992
137 HB3 ALA 19 HB3 ALA 19 7.980 -2.645 -3.896
138 H GLY 20 HN GLY 20 8.668 -3.423 -6.284
139 HA2 GLY 20 HA2 GLY 20 10.080 -4.924 -7.449
140 HA3 GLY 20 HA1 GLY 20 11.467 -4.226 -6.616
141 H ILE 21 HN ILE 21 9.061 -4.629 -4.451
142 HA ILE 21 HA ILE 21 10.406 -6.904 -3.255
143 HB ILE 21 HB ILE 21 8.215 -5.097 -2.187
144 HG12 ILE 21 HG12 ILE 21 10.306 -3.904 -2.441
145 HG13 ILE 21 HG11 ILE 21 9.992 -4.174 -0.735
146 HG21 ILE 21 HG21 ILE 21 8.050 -7.275 -1.128
147 HG22 ILE 21 HG22 ILE 21 8.651 -6.081 0.021
148 HG23 ILE 21 HG23 ILE 21 9.765 -7.231 -0.720
149 HD11 ILE 21 HD11 ILE 21 11.593 -6.028 -0.737
150 HD12 ILE 21 HD12 ILE 21 12.340 -4.520 -1.266
151 HD13 ILE 21 HD13 ILE 21 11.902 -5.750 -2.452
152 HA PRO 22 HA PRO 22 7.761 -10.227 -4.718
153 HB2 PRO 22 HB2 PRO 22 7.724 -11.090 -1.960
154 HB3 PRO 22 HB1 PRO 22 8.494 -11.840 -3.362
155 HG2 PRO 22 HG2 PRO 22 9.659 -10.078 -1.325
156 HG3 PRO 22 HG1 PRO 22 10.471 -11.161 -2.468
157 HD2 PRO 22 HD2 PRO 22 10.628 -8.488 -2.731
158 HD3 PRO 22 HD1 PRO 22 10.491 -9.579 -4.141
159 H VAL 23 HN VAL 23 5.794 -10.317 -5.053
160 HA VAL 23 HA VAL 23 3.646 -8.899 -3.950
161 HB VAL 23 HB VAL 23 3.648 -11.667 -5.235
162 HG11 VAL 23 HG11 VAL 23 1.366 -9.723 -4.962
163 HG12 VAL 23 HG12 VAL 23 1.542 -11.260 -4.120
164 HG13 VAL 23 HG13 VAL 23 1.328 -11.233 -5.873
165 HG21 VAL 23 HG21 VAL 23 3.104 -10.523 -7.330
166 HG22 VAL 23 HG22 VAL 23 4.676 -10.037 -6.695
167 HG23 VAL 23 HG23 VAL 23 3.284 -8.969 -6.517
168 H GLU 24 HN GLU 24 5.221 -11.785 -3.153
169 HA GLU 24 HA GLU 24 3.215 -12.579 -1.323
170 HB2 GLU 24 HB2 GLU 24 4.584 -14.640 -0.935
171 HB3 GLU 24 HB1 GLU 24 4.062 -14.362 -2.591
172 HG2 GLU 24 HG2 GLU 24 6.285 -13.453 -3.113
173 HG3 GLU 24 HG1 GLU 24 6.797 -13.825 -1.464
174 H ASP 25 HN ASP 25 5.920 -10.632 -1.034
175 HA ASP 25 HA ASP 25 6.502 -11.397 1.735
176 HB2 ASP 25 HB2 ASP 25 8.308 -10.593 0.053
177 HB3 ASP 25 HB1 ASP 25 7.631 -8.985 0.279
178 H VAL 26 HN VAL 26 4.605 -9.464 -0.100
179 HA VAL 26 HA VAL 26 3.977 -7.408 1.815
180 HB VAL 26 HB VAL 26 2.902 -8.107 -0.945
181 HG11 VAL 26 HG11 VAL 26 1.091 -7.177 0.412
182 HG12 VAL 26 HG12 VAL 26 1.604 -6.090 -0.877
183 HG13 VAL 26 HG13 VAL 26 2.101 -5.770 0.797
184 HG21 VAL 26 HG21 VAL 26 4.485 -5.780 0.107
185 HG22 VAL 26 HG22 VAL 26 3.941 -5.979 -1.557
186 HG23 VAL 26 HG23 VAL 26 5.119 -7.106 -0.867
187 H LYS 27 HN LYS 27 3.480 -8.825 3.417
188 HA LYS 27 HA LYS 27 0.993 -10.358 3.293
189 HB2 LYS 27 HB2 LYS 27 3.110 -10.032 5.422
190 HB3 LYS 27 HB1 LYS 27 1.666 -11.013 5.616
191 HG2 LYS 27 HG2 LYS 27 3.689 -11.434 3.438
192 HG3 LYS 27 HG1 LYS 27 3.724 -12.299 4.988
193 HD2 LYS 27 HD2 LYS 27 1.448 -13.137 4.516
194 HD3 LYS 27 HD1 LYS 27 1.480 -12.300 2.967
195 HE2 LYS 27 HE2 LYS 27 1.973 -14.650 2.683
196 HE3 LYS 27 HE1 LYS 27 3.373 -13.657 2.276
197 HZ1 LYS 27 HZ1 LYS 27 3.892 -15.669 3.588
198 HZ2 LYS 27 HZ2 LYS 27 3.055 -15.020 4.919
199 HZ3 LYS 27 HZ3 LYS 27 4.419 -14.263 4.342
200 H LEU 28 HN LEU 28 1.173 -9.353 6.404
201 HA LEU 28 HA LEU 28 -0.326 -6.932 5.732
202 HB2 LEU 28 HB2 LEU 28 -1.764 -9.004 6.071
203 HB3 LEU 28 HB1 LEU 28 -1.316 -8.889 7.760
204 HG LEU 28 HG LEU 28 -2.529 -6.535 6.439
205 HD11 LEU 28 HD11 LEU 28 -4.762 -7.419 6.968
206 HD12 LEU 28 HD12 LEU 28 -4.003 -8.963 7.419
207 HD13 LEU 28 HD13 LEU 28 -3.900 -8.368 5.752
208 HD21 LEU 28 HD21 LEU 28 -2.793 -7.718 9.211
209 HD22 LEU 28 HD22 LEU 28 -3.526 -6.207 8.664
210 HD23 LEU 28 HD23 LEU 28 -1.772 -6.352 8.762
211 H ASP 29 HN ASP 29 1.772 -8.537 7.891
212 HA ASP 29 HA ASP 29 1.659 -6.453 9.939
213 HB2 ASP 29 HB2 ASP 29 1.868 -8.796 10.650
214 HB3 ASP 29 HB1 ASP 29 3.307 -8.988 9.660
215 H LYS 30 HN LYS 30 2.898 -6.740 7.041
216 HA LYS 30 HA LYS 30 5.673 -6.061 7.488
217 HB2 LYS 30 HB2 LYS 30 4.006 -6.579 5.073
218 HB3 LYS 30 HB1 LYS 30 5.643 -5.972 4.940
219 HG2 LYS 30 HG2 LYS 30 4.936 -8.499 6.425
220 HG3 LYS 30 HG1 LYS 30 5.371 -8.476 4.714
221 HD2 LYS 30 HD2 LYS 30 7.539 -7.532 5.244
222 HD3 LYS 30 HD1 LYS 30 7.101 -7.416 6.948
223 HE2 LYS 30 HE2 LYS 30 7.302 -9.986 5.383
224 HE3 LYS 30 HE1 LYS 30 8.566 -9.344 6.430
225 HZ1 LYS 30 HZ1 LYS 30 6.975 -9.455 8.282
226 HZ2 LYS 30 HZ2 LYS 30 7.296 -10.971 7.622
227 HZ3 LYS 30 HZ3 LYS 30 5.839 -10.195 7.285
228 H SER 31 HN SER 31 6.323 -3.998 7.796
229 HA SER 31 HA SER 31 4.658 -1.859 6.958
230 HB2 SER 31 HB2 SER 31 7.469 -1.828 8.040
231 HB3 SER 31 HB1 SER 31 6.232 -0.571 8.088
232 HG SER 31 HG SER 31 6.438 -2.952 9.535
233 H PHE 32 HN PHE 32 4.762 -1.297 4.890
234 HA PHE 32 HA PHE 32 6.266 -1.807 2.778
235 HB2 PHE 32 HB2 PHE 32 5.275 0.851 3.634
236 HB3 PHE 32 HB1 PHE 32 6.111 0.716 2.103
237 HD1 PHE 32 HD1 PHE 32 5.070 -0.795 0.345
238 HD2 PHE 32 HD2 PHE 32 3.087 0.147 3.979
239 HE1 PHE 32 HE1 PHE 32 2.929 -1.505 -0.637
240 HE2 PHE 32 HE2 PHE 32 0.958 -0.562 3.003
241 HZ PHE 32 HZ PHE 32 0.902 -1.473 0.688
242 H THR 33 HN THR 33 7.360 1.380 3.738
243 HA THR 33 HA THR 33 10.042 0.629 3.192
244 HB THR 33 HB THR 33 10.217 3.109 4.132
245 HG1 THR 33 HG1 THR 33 8.242 3.657 4.660
246 HG21 THR 33 HG21 THR 33 9.815 3.803 1.799
247 HG22 THR 33 HG22 THR 33 9.056 2.230 1.494
248 HG23 THR 33 HG23 THR 33 10.761 2.315 1.896
249 H ASP 34 HN ASP 34 9.767 -1.024 5.140
250 HA ASP 34 HA ASP 34 11.538 -0.134 7.173
251 HB2 ASP 34 HB2 ASP 34 9.427 0.932 7.913
252 HB3 ASP 34 HB1 ASP 34 8.697 -0.653 8.071
253 H ASP 35 HN ASP 35 8.950 -2.506 6.569
254 HA ASP 35 HA ASP 35 10.657 -4.713 7.505
255 HB2 ASP 35 HB2 ASP 35 7.756 -4.503 6.736
256 HB3 ASP 35 HB1 ASP 35 8.490 -6.077 6.770
257 H LEU 36 HN LEU 36 8.765 -3.740 4.693
258 HA LEU 36 HA LEU 36 9.729 -5.813 2.968
259 HB2 LEU 36 HB2 LEU 36 8.426 -3.185 2.241
260 HB3 LEU 36 HB1 LEU 36 8.613 -4.565 1.185
261 HG LEU 36 HG LEU 36 6.880 -4.492 3.657
262 HD11 LEU 36 HD11 LEU 36 5.019 -4.487 2.073
263 HD12 LEU 36 HD12 LEU 36 6.161 -4.383 0.732
264 HD13 LEU 36 HD13 LEU 36 6.028 -3.052 1.878
265 HD21 LEU 36 HD21 LEU 36 6.006 -6.604 2.805
266 HD22 LEU 36 HD22 LEU 36 7.734 -6.714 3.151
267 HD23 LEU 36 HD23 LEU 36 7.174 -6.555 1.486
268 H ASP 37 HN ASP 37 10.229 -2.348 3.167
269 HA ASP 37 HA ASP 37 11.875 -0.956 2.755
270 HB2 ASP 37 HB2 ASP 37 13.597 -2.616 3.479
271 HB3 ASP 37 HB1 ASP 37 13.631 -3.263 1.842
272 H VAL 38 HN VAL 38 11.048 0.184 1.366
273 HA VAL 38 HA VAL 38 10.657 -0.832 -1.360
274 HB VAL 38 HB VAL 38 9.221 1.433 0.094
275 HG11 VAL 38 HG11 VAL 38 7.715 1.552 -1.837
276 HG12 VAL 38 HG12 VAL 38 8.704 0.367 -2.688
277 HG13 VAL 38 HG13 VAL 38 9.371 1.951 -2.294
278 HG21 VAL 38 HG21 VAL 38 7.258 -0.025 -0.040
279 HG22 VAL 38 HG22 VAL 38 8.565 -0.768 0.881
280 HG23 VAL 38 HG23 VAL 38 8.248 -1.284 -0.777
281 H ASP 39 HN ASP 39 10.689 2.473 -0.443
282 HA ASP 39 HA ASP 39 13.205 3.341 -1.127
283 HB2 ASP 39 HB2 ASP 39 12.496 2.367 -3.481
284 HB3 ASP 39 HB1 ASP 39 11.301 3.667 -3.427
285 H SER 40 HN SER 40 12.634 5.687 -2.226
286 HA SER 40 HA SER 40 11.080 6.961 -0.094
287 HB2 SER 40 HB2 SER 40 13.542 7.432 -0.791
288 HB3 SER 40 HB1 SER 40 12.822 8.269 -2.164
289 H LEU 41 HN LEU 41 11.676 6.907 -3.472
290 HA LEU 41 HA LEU 41 9.509 8.742 -4.135
291 HB2 LEU 41 HB2 LEU 41 11.490 7.363 -5.936
292 HB3 LEU 41 HB1 LEU 41 10.379 8.629 -6.410
293 HG LEU 41 HG LEU 41 12.705 8.918 -4.515
294 HD11 LEU 41 HD11 LEU 41 12.235 9.966 -7.292
295 HD12 LEU 41 HD12 LEU 41 13.365 8.692 -6.830
296 HD13 LEU 41 HD13 LEU 41 13.620 10.346 -6.269
297 HD21 LEU 41 HD21 LEU 41 12.176 11.310 -4.534
298 HD22 LEU 41 HD22 LEU 41 10.849 10.365 -3.855
299 HD23 LEU 41 HD23 LEU 41 10.740 10.985 -5.502
300 H SER 42 HN SER 42 10.405 5.403 -4.470
301 HA SER 42 HA SER 42 8.308 4.643 -6.186
302 HB2 SER 42 HB2 SER 42 9.824 2.967 -4.179
303 HB3 SER 42 HB1 SER 42 8.902 2.363 -5.557
304 HG SER 42 HG SER 42 10.492 2.909 -6.870
305 H MET 43 HN MET 43 8.556 5.248 -2.811
306 HA MET 43 HA MET 43 6.375 3.859 -1.779
307 HB2 MET 43 HB2 MET 43 8.041 4.921 -0.400
308 HB3 MET 43 HB1 MET 43 7.556 6.511 -0.984
309 HG2 MET 43 HG2 MET 43 6.715 5.875 1.261
310 HG3 MET 43 HG1 MET 43 5.486 6.380 0.086
311 HE1 MET 43 HE1 MET 43 7.346 3.056 -0.065
312 HE2 MET 43 HE2 MET 43 6.346 1.930 0.868
313 HE3 MET 43 HE3 MET 43 7.248 3.213 1.684
314 H VAL 44 HN VAL 44 6.636 7.127 -3.166
315 HA VAL 44 HA VAL 44 3.907 7.749 -2.745
316 HB VAL 44 HB VAL 44 5.879 9.122 -4.597
317 HG11 VAL 44 HG11 VAL 44 3.573 9.745 -5.065
318 HG12 VAL 44 HG12 VAL 44 4.441 11.092 -4.331
319 HG13 VAL 44 HG13 VAL 44 3.317 10.136 -3.366
320 HG21 VAL 44 HG21 VAL 44 6.267 10.679 -2.734
321 HG22 VAL 44 HG22 VAL 44 6.744 9.029 -2.328
322 HG23 VAL 44 HG23 VAL 44 5.240 9.684 -1.701
323 H GLU 45 HN GLU 45 5.695 6.154 -5.312
324 HA GLU 45 HA GLU 45 3.677 6.482 -7.250
325 HB2 GLU 45 HB2 GLU 45 5.918 4.470 -7.047
326 HB3 GLU 45 HB1 GLU 45 4.875 4.670 -8.447
327 HG2 GLU 45 HG2 GLU 45 6.799 6.671 -7.318
328 HG3 GLU 45 HG1 GLU 45 6.938 5.803 -8.853
329 H VAL 46 HN VAL 46 4.481 4.057 -4.838
330 HA VAL 46 HA VAL 46 2.554 2.145 -5.449
331 HB VAL 46 HB VAL 46 3.565 3.016 -2.702
332 HG11 VAL 46 HG11 VAL 46 2.772 0.849 -1.873
333 HG12 VAL 46 HG12 VAL 46 2.062 0.499 -3.451
334 HG13 VAL 46 HG13 VAL 46 1.433 1.827 -2.475
335 HG21 VAL 46 HG21 VAL 46 5.315 2.163 -4.171
336 HG22 VAL 46 HG22 VAL 46 4.366 0.707 -4.473
337 HG23 VAL 46 HG23 VAL 46 4.994 1.030 -2.857
338 H VAL 47 HN VAL 47 2.311 4.975 -3.337
339 HA VAL 47 HA VAL 47 -0.376 4.772 -2.585
340 HB VAL 47 HB VAL 47 1.222 7.293 -3.081
341 HG11 VAL 47 HG11 VAL 47 -1.216 7.657 -2.893
342 HG12 VAL 47 HG12 VAL 47 -0.326 8.369 -1.545
343 HG13 VAL 47 HG13 VAL 47 -1.197 6.849 -1.332
344 HG21 VAL 47 HG21 VAL 47 0.903 5.645 -0.574
345 HG22 VAL 47 HG22 VAL 47 1.740 7.193 -0.689
346 HG23 VAL 47 HG23 VAL 47 2.364 5.785 -1.551
347 H VAL 48 HN VAL 48 0.900 7.042 -5.022
348 HA VAL 48 HA VAL 48 -1.499 7.809 -6.142
349 HB VAL 48 HB VAL 48 1.186 7.616 -7.551
350 HG11 VAL 48 HG11 VAL 48 -1.256 9.230 -8.302
351 HG12 VAL 48 HG12 VAL 48 -0.637 7.830 -9.174
352 HG13 VAL 48 HG13 VAL 48 0.320 9.313 -9.093
353 HG21 VAL 48 HG21 VAL 48 -0.151 9.913 -6.123
354 HG22 VAL 48 HG22 VAL 48 1.383 9.993 -6.992
355 HG23 VAL 48 HG23 VAL 48 1.242 8.996 -5.545
356 H ALA 49 HN ALA 49 0.556 5.095 -7.354
357 HA ALA 49 HA ALA 49 -1.240 4.484 -9.462
358 HB1 ALA 49 HB1 ALA 49 0.049 2.446 -9.770
359 HB2 ALA 49 HB2 ALA 49 0.832 2.680 -8.208
360 HB3 ALA 49 HB3 ALA 49 1.127 3.820 -9.524
361 H ALA 50 HN ALA 50 -1.177 3.602 -6.089
362 HA ALA 50 HA ALA 50 -2.833 1.322 -6.272
363 HB1 ALA 50 HB1 ALA 50 -1.558 1.825 -4.234
364 HB2 ALA 50 HB2 ALA 50 -3.280 1.662 -3.889
365 HB3 ALA 50 HB3 ALA 50 -2.544 3.263 -3.974
366 H GLU 51 HN GLU 51 -3.430 4.772 -5.972
367 HA GLU 51 HA GLU 51 -6.069 4.607 -5.718
368 HB2 GLU 51 HB2 GLU 51 -4.205 6.655 -6.551
369 HB3 GLU 51 HB1 GLU 51 -5.941 6.926 -6.843
370 HG2 GLU 51 HG2 GLU 51 -4.655 6.140 -4.267
371 HG3 GLU 51 HG1 GLU 51 -5.443 7.643 -4.646
372 H GLU 52 HN GLU 52 -4.362 4.043 -8.664
373 HA GLU 52 HA GLU 52 -6.811 4.307 -10.177
374 HB2 GLU 52 HB2 GLU 52 -4.547 4.776 -11.178
375 HB3 GLU 52 HB1 GLU 52 -4.186 3.064 -11.019
376 HG2 GLU 52 HG2 GLU 52 -6.003 2.526 -12.529
377 HG3 GLU 52 HG1 GLU 52 -6.407 4.233 -12.688
378 H ARG 53 HN ARG 53 -5.285 2.010 -8.287
379 HA ARG 53 HA ARG 53 -6.489 -0.366 -9.473
380 HB2 ARG 53 HB2 ARG 53 -4.222 0.128 -8.038
381 HB3 ARG 53 HB1 ARG 53 -5.301 -0.483 -6.804
382 HG2 ARG 53 HG2 ARG 53 -4.092 -2.346 -7.583
383 HG3 ARG 53 HG1 ARG 53 -5.671 -2.474 -8.374
384 HD2 ARG 53 HD2 ARG 53 -4.788 -1.469 -10.386
385 HD3 ARG 53 HD1 ARG 53 -3.255 -1.179 -9.546
386 HE ARG 53 HE ARG 53 -3.990 -3.912 -9.637
387 HH11 ARG 53 HH11 ARG 53 -2.685 -1.358 -11.704
388 HH12 ARG 53 HH12 ARG 53 -1.511 -2.368 -12.461
389 HH21 ARG 53 HH21 ARG 53 -2.427 -5.272 -10.715
390 HH22 ARG 53 HH22 ARG 53 -1.364 -4.646 -11.914
391 H PHE 54 HN PHE 54 -6.586 1.412 -6.397
392 HA PHE 54 HA PHE 54 -8.767 -0.213 -5.378
393 HB2 PHE 54 HB2 PHE 54 -7.056 1.877 -4.031
394 HB3 PHE 54 HB1 PHE 54 -8.291 0.917 -3.229
395 HD1 PHE 54 HD2 PHE 54 -5.020 0.752 -4.934
396 HD2 PHE 54 HD1 PHE 54 -7.826 -1.299 -2.502
397 HE1 PHE 54 HE2 PHE 54 -3.378 -1.045 -4.513
398 HE2 PHE 54 HE1 PHE 54 -6.166 -3.056 -2.074
399 HZ PHE 54 HZ PHE 54 -3.907 -2.846 -3.009
400 H ASP 55 HN ASP 55 -8.113 3.217 -6.121
401 HA ASP 55 HA ASP 55 -9.510 4.889 -6.810
402 HB2 ASP 55 HB2 ASP 55 -10.777 2.931 -7.935
403 HB3 ASP 55 HB1 ASP 55 -11.774 2.925 -6.524
404 H VAL 56 HN VAL 56 -8.912 4.415 -3.980
405 HA VAL 56 HA VAL 56 -11.463 5.134 -2.720
406 HB VAL 56 HB VAL 56 -10.433 4.427 -0.591
407 HG11 VAL 56 HG11 VAL 56 -10.652 2.359 -2.778
408 HG12 VAL 56 HG12 VAL 56 -11.968 2.989 -1.770
409 HG13 VAL 56 HG13 VAL 56 -10.688 2.009 -1.045
410 HG21 VAL 56 HG21 VAL 56 -8.310 3.315 -2.399
411 HG22 VAL 56 HG22 VAL 56 -8.508 2.880 -0.702
412 HG23 VAL 56 HG23 VAL 56 -8.109 4.540 -1.152
413 H LYS 57 HN LYS 57 -8.920 6.602 -3.783
414 HA LYS 57 HA LYS 57 -7.738 8.361 -3.503
415 HB2 LYS 57 HB2 LYS 57 -10.182 9.453 -2.109
416 HB3 LYS 57 HB1 LYS 57 -8.787 10.435 -2.523
417 HG2 LYS 57 HG2 LYS 57 -10.657 9.020 -4.416
418 HG3 LYS 57 HG1 LYS 57 -10.464 10.756 -4.189
419 HD2 LYS 57 HD2 LYS 57 -8.415 8.853 -5.340
420 HD3 LYS 57 HD1 LYS 57 -9.367 10.024 -6.242
421 HE2 LYS 57 HE2 LYS 57 -7.320 10.681 -4.117
422 HE3 LYS 57 HE1 LYS 57 -7.041 10.754 -5.851
423 HZ1 LYS 57 HZ1 LYS 57 -8.720 12.508 -5.997
424 HZ2 LYS 57 HZ2 LYS 57 -7.479 12.904 -4.918
425 HZ3 LYS 57 HZ3 LYS 57 -8.962 12.443 -4.313
426 H ILE 58 HN ILE 58 -6.123 7.624 -2.518
427 HA ILE 58 HA ILE 58 -5.861 8.134 0.372
428 HB ILE 58 HB ILE 58 -4.015 6.426 -1.300
429 HG12 ILE 58 HG12 ILE 58 -6.305 5.283 0.270
430 HG13 ILE 58 HG11 ILE 58 -6.445 5.641 -1.451
431 HG21 ILE 58 HG21 ILE 58 -3.589 5.353 0.863
432 HG22 ILE 58 HG22 ILE 58 -4.732 6.433 1.640
433 HG23 ILE 58 HG23 ILE 58 -3.239 7.078 0.932
434 HD11 ILE 58 HD11 ILE 58 -4.419 3.799 -0.217
435 HD12 ILE 58 HD12 ILE 58 -4.635 4.179 -1.940
436 HD13 ILE 58 HD13 ILE 58 -5.902 3.314 -1.056
437 HA PRO 59 HA PRO 59 -2.912 10.970 -1.660
438 HB2 PRO 59 HB2 PRO 59 -3.130 13.008 0.110
439 HB3 PRO 59 HB1 PRO 59 -4.267 12.792 -1.222
440 HG2 PRO 59 HG2 PRO 59 -4.623 12.259 1.667
441 HG3 PRO 59 HG1 PRO 59 -5.829 12.684 0.442
442 HD2 PRO 59 HD2 PRO 59 -5.294 10.111 1.480
443 HD3 PRO 59 HD1 PRO 59 -6.321 10.501 0.089
444 H ASP 60 HN ASP 60 -0.778 11.495 -1.031
445 HA ASP 60 HA ASP 60 0.644 9.969 0.664
446 HB2 ASP 60 HB2 ASP 60 2.470 11.575 0.680
447 HB3 ASP 60 HB1 ASP 60 1.711 11.585 -0.901
448 H ASP 61 HN ASP 61 -1.070 12.867 1.721
449 HA ASP 61 HA ASP 61 0.034 12.979 4.315
450 HB2 ASP 61 HB2 ASP 61 -1.186 14.869 3.441
451 HB3 ASP 61 HB1 ASP 61 -2.673 13.927 3.382
452 H ASP 62 HN ASP 62 -2.864 11.293 3.183
453 HA ASP 62 HA ASP 62 -3.525 10.262 5.795
454 HB2 ASP 62 HB2 ASP 62 -4.428 9.564 3.019
455 HB3 ASP 62 HB1 ASP 62 -4.964 8.642 4.421
456 H VAL 63 HN VAL 63 -1.740 9.245 3.106
457 HA VAL 63 HA VAL 63 -1.166 6.629 3.828
458 HB VAL 63 HB VAL 63 -0.007 8.699 2.056
459 HG11 VAL 63 HG11 VAL 63 1.801 7.202 1.336
460 HG12 VAL 63 HG12 VAL 63 1.310 6.054 2.585
461 HG13 VAL 63 HG13 VAL 63 2.015 7.610 3.047
462 HG21 VAL 63 HG21 VAL 63 -1.819 7.374 1.357
463 HG22 VAL 63 HG22 VAL 63 -0.917 5.895 1.694
464 HG23 VAL 63 HG23 VAL 63 -0.384 6.983 0.411
465 H LYS 64 HN LYS 64 0.016 9.607 5.077
466 HA LYS 64 HA LYS 64 2.277 8.521 6.354
467 HB2 LYS 64 HB2 LYS 64 0.891 11.156 6.839
468 HB3 LYS 64 HB1 LYS 64 2.459 10.714 7.507
469 HG2 LYS 64 HG2 LYS 64 3.387 10.538 5.285
470 HG3 LYS 64 HG1 LYS 64 1.790 10.869 4.599
471 HD2 LYS 64 HD2 LYS 64 1.817 13.074 5.688
472 HD3 LYS 64 HD1 LYS 64 3.458 12.747 6.260
473 HE2 LYS 64 HE2 LYS 64 4.211 12.492 3.955
474 HE3 LYS 64 HE1 LYS 64 2.575 12.805 3.380
475 HZ1 LYS 64 HZ1 LYS 64 3.909 14.761 3.220
476 HZ2 LYS 64 HZ2 LYS 64 4.315 14.679 4.863
477 HZ3 LYS 64 HZ3 LYS 64 2.710 15.004 4.401
478 H ASN 65 HN ASN 65 -0.783 7.884 6.967
479 HA ASN 65 HA ASN 65 -0.487 7.762 9.866
480 HB2 ASN 65 HB2 ASN 65 -3.003 8.166 8.213
481 HB3 ASN 65 HB1 ASN 65 -3.018 7.746 9.922
482 HD21 ASN 65 HD21 ASN 65 -2.372 10.250 7.587
483 HD22 ASN 65 HD22 ASN 65 -2.234 11.546 8.696
484 H LEU 66 HN LEU 66 0.035 6.195 7.291
485 HA LEU 66 HA LEU 66 -1.036 3.669 8.226
486 HB2 LEU 66 HB2 LEU 66 -0.137 4.395 5.423
487 HB3 LEU 66 HB1 LEU 66 -0.907 2.914 5.955
488 HG LEU 66 HG LEU 66 -2.252 5.618 5.782
489 HD11 LEU 66 HD11 LEU 66 -2.471 3.214 3.984
490 HD12 LEU 66 HD12 LEU 66 -1.721 4.762 3.585
491 HD13 LEU 66 HD13 LEU 66 -3.459 4.672 3.878
492 HD21 LEU 66 HD21 LEU 66 -3.292 4.220 7.502
493 HD22 LEU 66 HD22 LEU 66 -3.394 2.883 6.350
494 HD23 LEU 66 HD23 LEU 66 -4.343 4.323 6.083
495 H LYS 67 HN LYS 67 0.620 2.065 7.922
496 HA LYS 67 HA LYS 67 3.172 2.827 7.089
497 HB2 LYS 67 HB2 LYS 67 4.329 2.103 9.383
498 HB3 LYS 67 HB1 LYS 67 3.881 3.758 9.033
499 HG2 LYS 67 HG2 LYS 67 3.268 3.271 11.276
500 HG3 LYS 67 HG1 LYS 67 1.800 3.407 10.289
501 HD2 LYS 67 HD2 LYS 67 1.628 0.974 10.208
502 HD3 LYS 67 HD1 LYS 67 3.146 0.813 11.092
503 HE2 LYS 67 HE2 LYS 67 0.699 2.183 12.172
504 HE3 LYS 67 HE1 LYS 67 1.068 0.486 12.458
505 HZ1 LYS 67 HZ1 LYS 67 3.082 1.125 13.585
506 HZ2 LYS 67 HZ2 LYS 67 1.792 1.924 14.301
507 HZ3 LYS 67 HZ3 LYS 67 2.845 2.753 13.269
508 H THR 68 HN THR 68 1.108 0.304 8.051
509 HA THR 68 HA THR 68 3.105 -1.462 6.840
510 HB THR 68 HB THR 68 1.782 -3.362 7.672
511 HG1 THR 68 HG1 THR 68 0.322 -1.422 9.162
512 HG21 THR 68 HG21 THR 68 2.372 -3.183 10.021
513 HG22 THR 68 HG22 THR 68 2.660 -1.442 9.815
514 HG23 THR 68 HG23 THR 68 3.656 -2.633 8.947
515 H VAL 69 HN VAL 69 2.063 -3.288 5.669
516 HA VAL 69 HA VAL 69 0.358 -2.437 3.597
517 HB VAL 69 HB VAL 69 0.091 -5.024 3.318
518 HG11 VAL 69 HG11 VAL 69 2.367 -5.141 2.283
519 HG12 VAL 69 HG12 VAL 69 2.831 -3.693 3.179
520 HG13 VAL 69 HG13 VAL 69 1.601 -3.596 1.918
521 HG21 VAL 69 HG21 VAL 69 2.363 -4.868 5.254
522 HG22 VAL 69 HG22 VAL 69 1.902 -6.293 4.319
523 HG23 VAL 69 HG23 VAL 69 0.792 -5.623 5.517
524 H GLY 70 HN GLY 70 -0.139 -3.830 6.709
525 HA2 GLY 70 HA2 GLY 70 -2.857 -4.546 6.387
526 HA3 GLY 70 HA1 GLY 70 -2.024 -4.278 7.916
527 H ASP 71 HN ASP 71 -1.205 -1.706 7.611
528 HA ASP 71 HA ASP 71 -3.484 -0.216 8.326
529 HB2 ASP 71 HB2 ASP 71 -0.775 0.780 7.453
530 HB3 ASP 71 HB1 ASP 71 -2.062 1.843 8.002
531 H ALA 72 HN ALA 72 -1.651 -0.237 5.311
532 HA ALA 72 HA ALA 72 -3.134 1.644 3.908
533 HB1 ALA 72 HB1 ALA 72 -2.378 0.506 1.868
534 HB2 ALA 72 HB2 ALA 72 -1.899 -0.896 2.825
535 HB3 ALA 72 HB3 ALA 72 -1.067 0.643 3.039
536 H THR 73 HN THR 73 -3.560 -1.898 3.683
537 HA THR 73 HA THR 73 -5.969 -2.139 2.562
538 HB THR 73 HB THR 73 -4.872 -3.692 4.888
539 HG1 THR 73 HG1 THR 73 -3.404 -4.033 3.390
540 HG21 THR 73 HG21 THR 73 -6.879 -4.436 2.754
541 HG22 THR 73 HG22 THR 73 -7.262 -4.140 4.434
542 HG23 THR 73 HG23 THR 73 -6.261 -5.539 3.992
543 H LYS 74 HN LYS 74 -5.449 -1.653 6.091
544 HA LYS 74 HA LYS 74 -8.093 -1.829 6.896
545 HB2 LYS 74 HB2 LYS 74 -6.122 -1.903 8.363
546 HB3 LYS 74 HB1 LYS 74 -5.840 -0.199 8.065
547 HG2 LYS 74 HG2 LYS 74 -7.954 0.338 9.131
548 HG3 LYS 74 HG1 LYS 74 -8.236 -1.382 9.429
549 HD2 LYS 74 HD2 LYS 74 -6.200 -1.484 10.749
550 HD3 LYS 74 HD1 LYS 74 -5.919 0.236 10.466
551 HE2 LYS 74 HE2 LYS 74 -8.318 -0.938 11.865
552 HE3 LYS 74 HE1 LYS 74 -6.949 -0.158 12.658
553 HZ1 LYS 74 HZ1 LYS 74 -8.782 1.179 10.720
554 HZ2 LYS 74 HZ2 LYS 74 -7.499 1.903 11.549
555 HZ3 LYS 74 HZ3 LYS 74 -8.839 1.323 12.398
556 H TYR 75 HN TYR 75 -6.267 0.926 5.632
557 HA TYR 75 HA TYR 75 -8.285 2.866 6.194
558 HB2 TYR 75 HB2 TYR 75 -5.938 3.508 6.002
559 HB3 TYR 75 HB1 TYR 75 -5.881 2.883 4.360
560 HD1 TYR 75 HD1 TYR 75 -7.308 5.525 6.498
561 HD2 TYR 75 HD2 TYR 75 -6.568 4.219 2.523
562 HE1 TYR 75 HE1 TYR 75 -7.936 7.739 5.650
563 HE2 TYR 75 HE2 TYR 75 -7.197 6.424 1.668
564 HH TYR 75 HH TYR 75 -7.568 9.119 3.723
565 H ILE 76 HN ILE 76 -7.169 1.030 3.433
566 HA ILE 76 HA ILE 76 -8.914 2.118 1.586
567 HB ILE 76 HB ILE 76 -7.521 -0.575 1.553
568 HG12 ILE 76 HG12 ILE 76 -6.796 2.026 0.191
569 HG13 ILE 76 HG11 ILE 76 -6.084 1.465 1.699
570 HG21 ILE 76 HG21 ILE 76 -9.441 -0.509 0.018
571 HG22 ILE 76 HG22 ILE 76 -7.908 -0.545 -0.858
572 HG23 ILE 76 HG23 ILE 76 -8.806 0.968 -0.710
573 HD11 ILE 76 HD11 ILE 76 -5.904 0.084 -0.963
574 HD12 ILE 76 HD12 ILE 76 -5.207 -0.486 0.554
575 HD13 ILE 76 HD13 ILE 76 -4.626 1.017 -0.173
576 H LEU 77 HN LEU 77 -9.171 -0.806 3.574
577 HA LEU 77 HA LEU 77 -11.668 -1.701 2.591
578 HB2 LEU 77 HB2 LEU 77 -10.219 -3.072 4.039
579 HB3 LEU 77 HB1 LEU 77 -10.565 -2.002 5.387
580 HG LEU 77 HG LEU 77 -13.009 -2.563 4.864
581 HD11 LEU 77 HD11 LEU 77 -11.747 -4.907 3.556
582 HD12 LEU 77 HD12 LEU 77 -12.801 -3.686 2.840
583 HD13 LEU 77 HD13 LEU 77 -13.437 -4.801 4.049
584 HD21 LEU 77 HD21 LEU 77 -11.216 -4.557 6.223
585 HD22 LEU 77 HD22 LEU 77 -12.968 -4.481 6.403
586 HD23 LEU 77 HD23 LEU 77 -11.964 -3.139 6.955
587 H ASP 78 HN ASP 78 -10.814 0.734 4.793
588 HA ASP 78 HA ASP 78 -13.466 1.022 5.955
589 HB2 ASP 78 HB2 ASP 78 -11.546 1.562 7.317
590 HB3 ASP 78 HB1 ASP 78 -11.020 2.775 6.161
591 H HIS 79 HN HIS 79 -11.461 2.718 3.723
592 HA HIS 79 HA HIS 79 -13.320 4.768 3.129
593 HB2 HIS 79 HB2 HIS 79 -10.642 4.049 2.439
594 HB3 HIS 79 HB1 HIS 79 -11.509 4.524 0.994
595 HD1 HIS 79 HD1 HIS 79 -10.819 6.930 0.579
596 HD2 HIS 79 HD2 HIS 79 -11.573 6.183 4.610
597 HE1 HIS 79 HE1 HIS 79 -10.634 9.118 1.712
598 HE2 HIS 79 HE2 HIS 79 -10.862 8.643 4.147
599 H GLN 80 HN GLN 80 -12.309 1.836 1.330
600 HA GLN 80 HA GLN 80 -12.961 1.061 -0.637
601 HB2 GLN 80 HB2 GLN 80 -14.934 0.474 1.420
602 HB3 GLN 80 HB1 GLN 80 -15.185 -0.214 -0.199
603 HG2 GLN 80 HG2 GLN 80 -12.891 -0.586 1.705
604 HG3 GLN 80 HG1 GLN 80 -14.029 -1.804 1.136
605 HE21 GLN 80 HE21 GLN 80 -11.163 -1.789 0.991
606 HE22 GLN 80 HE22 GLN 80 -10.758 -1.889 -0.692
607 H ALA 81 HN ALA 81 -13.368 1.749 -2.548
608 HA ALA 81 HA ALA 81 -15.852 3.182 -2.906
609 HB1 ALA 81 HB1 ALA 81 -13.287 3.169 -4.502
610 HB2 ALA 81 HB2 ALA 81 -13.871 4.479 -3.479
611 HB3 ALA 81 HB3 ALA 81 -14.747 4.049 -4.948
612 H2 SHW 101 H2A SHW 101 3.012 5.193 2.704
613 H2A SHW 101 H2B SHW 101 4.141 3.869 2.899
614 H3 SHW 101 H3A SHW 101 1.637 4.254 4.583
615 HO3 SHW 101 HO3 SHW 101 3.660 3.168 5.389
616 H4 SHW 101 H4A SHW 101 0.887 2.164 3.496
617 H4A SHW 101 H4B SHW 101 2.289 2.214 2.448
618 H5 SHW 101 H5A SHW 101 1.496 4.264 1.434
619 H5A SHW 101 H5B SHW 101 0.084 4.249 2.496
620 H6 SHW 101 H6A SHW 101 -0.566 2.067 1.552
621 H6A SHW 101 H6B SHW 101 0.811 2.151 0.454
622 H7 SHW 101 H7A SHW 101 -0.101 4.168 -0.569
623 H7A SHW 101 H7B SHW 101 -1.471 4.122 0.555
624 H8 SHW 101 H8C SHW 101 -0.738 1.998 -1.460
625 H8A SHW 101 H8A SHW 101 -2.051 3.163 -1.616
626 H8B SHW 101 H8B SHW 101 -2.106 1.942 -0.346
627 H28 SHW 101 H28A SHW 101 12.607 11.824 1.757
628 H28A SHW 101 H28B SHW 101 11.242 10.923 1.070
629 H30 SHW 101 H30A SHW 101 12.307 10.004 4.382
630 H30A SHW 101 H30B SHW 101 11.424 11.217 5.309
631 H30B SHW 101 H30C SHW 101 12.839 11.685 4.362
632 H31 SHW 101 H31A SHW 101 10.113 12.979 4.127
633 H31A SHW 101 H31B SHW 101 10.075 12.997 2.365
634 H31B SHW 101 H31C SHW 101 11.567 13.396 3.219
635 H32 SHW 101 H32A SHW 101 9.430 10.368 4.305
636 HO33 SHW 101 H33A SHW 101 8.580 10.276 1.782
637 HN36 SHW 101 H36A SHW 101 11.011 8.554 4.449
638 H37 SHW 101 H37A SHW 101 10.134 6.475 2.513
639 H37A SHW 101 H37B SHW 101 11.821 6.573 3.008
640 H38 SHW 101 H38A SHW 101 10.594 4.769 4.143
641 H38A SHW 101 H38B SHW 101 11.169 5.958 5.317
642 HN41 SHW 101 H41A SHW 101 8.567 7.197 3.678
643 H42 SHW 101 H42A SHW 101 6.477 5.936 5.223
644 H42A SHW 101 H42B SHW 101 6.750 7.671 5.496
645 H43 SHW 101 H43A SHW 101 6.165 6.394 2.842
646 H43A SHW 101 H43B SHW 101 6.193 8.138 3.198
Start of MODEL 20
1 H1 ALA 1 HT1 ALA 1 -17.167 -2.490 0.538
2 H2 ALA 1 HT2 ALA 1 -17.606 -2.192 2.158
3 H3 ALA 1 HT3 ALA 1 -17.858 -3.719 1.447
4 HA ALA 1 HA ALA 1 -15.219 -2.530 1.875
5 HB1 ALA 1 HB1 ALA 1 -16.601 -4.830 3.260
6 HB2 ALA 1 HB2 ALA 1 -16.258 -3.250 3.966
7 HB3 ALA 1 HB3 ALA 1 -14.932 -4.324 3.518
8 H ALA 2 HN ALA 2 -13.567 -4.357 1.539
9 HA ALA 2 HA ALA 2 -14.406 -6.195 -0.576
10 HB1 ALA 2 HB1 ALA 2 -12.188 -5.817 -1.645
11 HB2 ALA 2 HB2 ALA 2 -11.841 -4.559 -0.463
12 HB3 ALA 2 HB3 ALA 2 -13.149 -4.341 -1.619
13 H THR 3 HN THR 3 -12.649 -8.028 -0.653
14 HA THR 3 HA THR 3 -12.342 -8.841 2.073
15 HB THR 3 HB THR 3 -11.276 -10.886 1.088
16 HG1 THR 3 HG1 THR 3 -11.971 -10.378 -1.512
17 HG21 THR 3 HG21 THR 3 -13.270 -11.741 -0.066
18 HG22 THR 3 HG22 THR 3 -13.890 -10.093 -0.197
19 HG23 THR 3 HG23 THR 3 -13.692 -10.838 1.390
20 H GLN 4 HN GLN 4 -10.545 -8.645 3.314
21 HA GLN 4 HA GLN 4 -8.702 -6.646 2.782
22 HB2 GLN 4 HB2 GLN 4 -8.358 -8.969 4.674
23 HB3 GLN 4 HB1 GLN 4 -7.337 -7.543 4.652
24 HG2 GLN 4 HG2 GLN 4 -9.341 -6.180 5.163
25 HG3 GLN 4 HG1 GLN 4 -10.265 -7.672 5.319
26 HE21 GLN 4 HE21 GLN 4 -7.898 -9.092 6.552
27 HE22 GLN 4 HE22 GLN 4 -7.849 -8.490 8.157
28 H GLU 5 HN GLU 5 -8.542 -9.970 1.994
29 HA GLU 5 HA GLU 5 -5.726 -10.143 1.537
30 HB2 GLU 5 HB2 GLU 5 -7.874 -11.939 0.384
31 HB3 GLU 5 HB1 GLU 5 -6.167 -12.299 0.512
32 HG2 GLU 5 HG2 GLU 5 -7.299 -13.556 2.181
33 HG3 GLU 5 HG1 GLU 5 -6.439 -12.263 3.011
34 H GLU 6 HN GLU 6 -8.553 -9.439 -0.413
35 HA GLU 6 HA GLU 6 -7.230 -9.514 -2.919
36 HB2 GLU 6 HB2 GLU 6 -9.642 -9.830 -2.704
37 HB3 GLU 6 HB1 GLU 6 -9.810 -8.212 -2.057
38 HG2 GLU 6 HG2 GLU 6 -9.280 -7.238 -4.154
39 HG3 GLU 6 HG1 GLU 6 -8.796 -8.799 -4.818
40 H ILE 7 HN ILE 7 -7.881 -7.171 -0.494
41 HA ILE 7 HA ILE 7 -7.107 -4.830 -1.867
42 HB ILE 7 HB ILE 7 -6.936 -5.443 1.091
43 HG12 ILE 7 HG12 ILE 7 -9.293 -4.507 -0.580
44 HG13 ILE 7 HG11 ILE 7 -9.125 -5.985 0.317
45 HG21 ILE 7 HG21 ILE 7 -5.783 -3.384 0.432
46 HG22 ILE 7 HG22 ILE 7 -7.239 -3.000 1.351
47 HG23 ILE 7 HG23 ILE 7 -7.231 -2.825 -0.405
48 HD11 ILE 7 HD11 ILE 7 -9.158 -4.806 2.414
49 HD12 ILE 7 HD12 ILE 7 -10.588 -4.422 1.457
50 HD13 ILE 7 HD13 ILE 7 -9.262 -3.264 1.570
51 H VAL 8 HN VAL 8 -5.416 -6.839 0.545
52 HA VAL 8 HA VAL 8 -2.911 -5.727 0.303
53 HB VAL 8 HB VAL 8 -3.767 -8.518 1.116
54 HG11 VAL 8 HG11 VAL 8 -1.009 -7.292 1.332
55 HG12 VAL 8 HG12 VAL 8 -1.461 -8.641 0.285
56 HG13 VAL 8 HG13 VAL 8 -1.518 -8.829 2.040
57 HG21 VAL 8 HG21 VAL 8 -2.767 -6.128 2.641
58 HG22 VAL 8 HG22 VAL 8 -3.277 -7.655 3.360
59 HG23 VAL 8 HG23 VAL 8 -4.442 -6.623 2.522
60 H ALA 9 HN ALA 9 -4.373 -8.317 -1.615
61 HA ALA 9 HA ALA 9 -2.141 -9.042 -3.153
62 HB1 ALA 9 HB1 ALA 9 -4.214 -10.353 -3.091
63 HB2 ALA 9 HB2 ALA 9 -3.739 -9.954 -4.749
64 HB3 ALA 9 HB3 ALA 9 -5.045 -9.064 -3.966
65 H GLY 10 HN GLY 10 -4.530 -6.488 -3.576
66 HA2 GLY 10 HA2 GLY 10 -3.635 -5.595 -6.113
67 HA3 GLY 10 HA1 GLY 10 -4.572 -4.655 -4.954
68 H LEU 11 HN LEU 11 -2.936 -4.647 -2.820
69 HA LEU 11 HA LEU 11 -1.130 -2.572 -3.336
70 HB2 LEU 11 HB2 LEU 11 -1.201 -4.558 -1.068
71 HB3 LEU 11 HB1 LEU 11 -0.193 -3.129 -1.104
72 HG LEU 11 HG LEU 11 -3.208 -3.055 -1.164
73 HD11 LEU 11 HD11 LEU 11 -2.405 -4.008 0.930
74 HD12 LEU 11 HD12 LEU 11 -3.025 -2.374 1.182
75 HD13 LEU 11 HD13 LEU 11 -1.287 -2.660 1.124
76 HD21 LEU 11 HD21 LEU 11 -1.127 -0.920 -0.696
77 HD22 LEU 11 HD22 LEU 11 -2.875 -0.697 -0.606
78 HD23 LEU 11 HD23 LEU 11 -2.116 -1.102 -2.146
79 H ALA 12 HN ALA 12 -0.608 -5.983 -2.742
80 HA ALA 12 HA ALA 12 2.115 -6.162 -2.881
81 HB1 ALA 12 HB1 ALA 12 1.776 -8.513 -3.328
82 HB2 ALA 12 HB2 ALA 12 0.103 -8.198 -3.791
83 HB3 ALA 12 HB3 ALA 12 0.625 -7.931 -2.129
84 H GLU 13 HN GLU 13 -0.205 -6.368 -5.556
85 HA GLU 13 HA GLU 13 1.879 -6.892 -7.419
86 HB2 GLU 13 HB2 GLU 13 0.256 -6.483 -9.252
87 HB3 GLU 13 HB1 GLU 13 -0.330 -7.634 -8.068
88 HG2 GLU 13 HG2 GLU 13 -1.783 -5.985 -7.124
89 HG3 GLU 13 HG1 GLU 13 -1.110 -4.734 -8.161
90 H ILE 14 HN ILE 14 0.302 -3.933 -6.562
91 HA ILE 14 HA ILE 14 1.639 -2.178 -8.302
92 HB ILE 14 HB ILE 14 0.647 -1.812 -5.473
93 HG12 ILE 14 HG12 ILE 14 -0.628 -0.988 -8.067
94 HG13 ILE 14 HG11 ILE 14 -0.963 -2.518 -7.264
95 HG21 ILE 14 HG21 ILE 14 2.264 -0.079 -6.006
96 HG22 ILE 14 HG22 ILE 14 0.629 0.594 -5.952
97 HG23 ILE 14 HG23 ILE 14 1.407 0.278 -7.506
98 HD11 ILE 14 HD11 ILE 14 -2.632 -0.865 -6.766
99 HD12 ILE 14 HD12 ILE 14 -1.380 0.194 -6.070
100 HD13 ILE 14 HD13 ILE 14 -1.724 -1.391 -5.349
101 H VAL 15 HN VAL 15 2.401 -3.215 -5.015
102 HA VAL 15 HA VAL 15 4.813 -1.852 -4.708
103 HB VAL 15 HB VAL 15 3.886 -4.437 -3.424
104 HG11 VAL 15 HG11 VAL 15 6.154 -2.618 -2.593
105 HG12 VAL 15 HG12 VAL 15 6.332 -4.240 -3.257
106 HG13 VAL 15 HG13 VAL 15 5.569 -4.010 -1.684
107 HG21 VAL 15 HG21 VAL 15 3.363 -3.000 -1.519
108 HG22 VAL 15 HG22 VAL 15 2.465 -2.539 -2.966
109 HG23 VAL 15 HG23 VAL 15 3.863 -1.592 -2.455
110 H ASN 16 HN ASN 16 4.212 -5.154 -5.900
111 HA ASN 16 HA ASN 16 6.940 -5.745 -6.238
112 HB2 ASN 16 HB2 ASN 16 5.117 -7.423 -6.171
113 HB3 ASN 16 HB1 ASN 16 4.622 -6.898 -7.776
114 HD21 ASN 16 HD21 ASN 16 7.134 -8.384 -5.935
115 HD22 ASN 16 HD22 ASN 16 7.934 -9.177 -7.254
116 H GLU 17 HN GLU 17 4.649 -4.146 -8.264
117 HA GLU 17 HA GLU 17 6.173 -4.163 -10.651
118 HB2 GLU 17 HB2 GLU 17 3.693 -3.790 -10.413
119 HB3 GLU 17 HB1 GLU 17 4.058 -2.184 -9.811
120 HG2 GLU 17 HG2 GLU 17 3.456 -2.082 -12.123
121 HG3 GLU 17 HG1 GLU 17 5.161 -1.666 -11.940
122 H ILE 18 HN ILE 18 5.642 -1.666 -8.169
123 HA ILE 18 HA ILE 18 7.532 0.182 -9.435
124 HB ILE 18 HB ILE 18 5.917 0.428 -6.884
125 HG12 ILE 18 HG12 ILE 18 5.452 1.816 -9.463
126 HG13 ILE 18 HG11 ILE 18 4.697 0.230 -9.176
127 HG21 ILE 18 HG21 ILE 18 7.412 2.512 -8.477
128 HG22 ILE 18 HG22 ILE 18 7.892 1.869 -6.907
129 HG23 ILE 18 HG23 ILE 18 6.405 2.804 -7.055
130 HD11 ILE 18 HD11 ILE 18 3.171 2.047 -8.750
131 HD12 ILE 18 HD12 ILE 18 4.338 2.819 -7.677
132 HD13 ILE 18 HD13 ILE 18 3.595 1.285 -7.218
133 H ALA 19 HN ALA 19 7.167 -1.316 -6.259
134 HA ALA 19 HA ALA 19 9.696 -0.379 -5.243
135 HB1 ALA 19 HB1 ALA 19 9.061 -1.667 -3.270
136 HB2 ALA 19 HB2 ALA 19 7.697 -2.355 -4.148
137 HB3 ALA 19 HB3 ALA 19 7.746 -0.624 -3.810
138 H GLY 20 HN GLY 20 8.299 -3.385 -6.422
139 HA2 GLY 20 HA2 GLY 20 9.429 -5.136 -7.484
140 HA3 GLY 20 HA1 GLY 20 10.958 -4.461 -6.931
141 H ILE 21 HN ILE 21 8.403 -4.807 -4.681
142 HA ILE 21 HA ILE 21 10.005 -6.822 -3.299
143 HB ILE 21 HB ILE 21 7.665 -5.179 -2.264
144 HG12 ILE 21 HG12 ILE 21 9.589 -3.748 -2.732
145 HG13 ILE 21 HG11 ILE 21 9.339 -3.890 -1.000
146 HG21 ILE 21 HG21 ILE 21 7.885 -7.279 -1.043
147 HG22 ILE 21 HG22 ILE 21 8.361 -5.917 -0.026
148 HG23 ILE 21 HG23 ILE 21 9.593 -6.940 -0.752
149 HD11 ILE 21 HD11 ILE 21 11.699 -3.967 -1.561
150 HD12 ILE 21 HD12 ILE 21 11.420 -5.350 -2.618
151 HD13 ILE 21 HD13 ILE 21 11.174 -5.507 -0.877
152 HA PRO 22 HA PRO 22 7.556 -10.454 -4.441
153 HB2 PRO 22 HB2 PRO 22 7.589 -10.994 -1.596
154 HB3 PRO 22 HB1 PRO 22 8.352 -11.881 -2.914
155 HG2 PRO 22 HG2 PRO 22 9.513 -9.889 -1.116
156 HG3 PRO 22 HG1 PRO 22 10.331 -11.023 -2.206
157 HD2 PRO 22 HD2 PRO 22 10.335 -8.362 -2.676
158 HD3 PRO 22 HD1 PRO 22 10.236 -9.572 -3.986
159 H VAL 23 HN VAL 23 5.652 -10.559 -4.864
160 HA VAL 23 HA VAL 23 3.541 -9.014 -3.853
161 HB VAL 23 HB VAL 23 3.452 -11.685 -5.311
162 HG11 VAL 23 HG11 VAL 23 1.220 -11.033 -6.064
163 HG12 VAL 23 HG12 VAL 23 1.309 -9.581 -5.065
164 HG13 VAL 23 HG13 VAL 23 1.300 -11.173 -4.308
165 HG21 VAL 23 HG21 VAL 23 3.154 -10.362 -7.345
166 HG22 VAL 23 HG22 VAL 23 4.705 -10.045 -6.568
167 HG23 VAL 23 HG23 VAL 23 3.386 -8.884 -6.411
168 H GLU 24 HN GLU 24 4.876 -12.101 -3.017
169 HA GLU 24 HA GLU 24 2.668 -12.552 -1.319
170 HB2 GLU 24 HB2 GLU 24 3.585 -14.778 -0.776
171 HB3 GLU 24 HB1 GLU 24 3.372 -14.502 -2.497
172 HG2 GLU 24 HG2 GLU 24 5.703 -14.219 -2.816
173 HG3 GLU 24 HG1 GLU 24 5.997 -14.188 -1.075
174 H ASP 25 HN ASP 25 5.659 -11.100 -0.944
175 HA ASP 25 HA ASP 25 5.970 -11.856 1.861
176 HB2 ASP 25 HB2 ASP 25 7.940 -11.393 0.229
177 HB3 ASP 25 HB1 ASP 25 7.567 -9.695 0.489
178 H VAL 26 HN VAL 26 4.577 -9.526 -0.079
179 HA VAL 26 HA VAL 26 4.071 -7.505 1.856
180 HB VAL 26 HB VAL 26 2.946 -8.164 -0.896
181 HG11 VAL 26 HG11 VAL 26 1.104 -7.226 0.434
182 HG12 VAL 26 HG12 VAL 26 1.632 -6.150 -0.855
183 HG13 VAL 26 HG13 VAL 26 2.109 -5.819 0.823
184 HG21 VAL 26 HG21 VAL 26 4.510 -5.832 0.189
185 HG22 VAL 26 HG22 VAL 26 3.993 -6.035 -1.484
186 HG23 VAL 26 HG23 VAL 26 5.161 -7.157 -0.777
187 H LYS 27 HN LYS 27 3.438 -8.662 3.577
188 HA LYS 27 HA LYS 27 0.899 -10.138 3.566
189 HB2 LYS 27 HB2 LYS 27 2.996 -9.778 5.726
190 HB3 LYS 27 HB1 LYS 27 1.620 -10.881 5.794
191 HG2 LYS 27 HG2 LYS 27 2.496 -12.149 3.918
192 HG3 LYS 27 HG1 LYS 27 3.796 -10.967 3.745
193 HD2 LYS 27 HD2 LYS 27 4.745 -11.625 5.849
194 HD3 LYS 27 HD1 LYS 27 3.393 -12.725 6.154
195 HE2 LYS 27 HE2 LYS 27 4.009 -14.110 4.310
196 HE3 LYS 27 HE1 LYS 27 5.216 -12.945 3.770
197 HZ1 LYS 27 HZ1 LYS 27 5.387 -14.321 6.399
198 HZ2 LYS 27 HZ2 LYS 27 6.584 -13.441 5.580
199 HZ3 LYS 27 HZ3 LYS 27 6.081 -14.930 4.977
200 H LEU 28 HN LEU 28 1.180 -8.990 6.636
201 HA LEU 28 HA LEU 28 -0.155 -6.498 5.908
202 HB2 LEU 28 HB2 LEU 28 -1.192 -8.586 7.756
203 HB3 LEU 28 HB1 LEU 28 -1.538 -6.906 8.088
204 HG LEU 28 HG LEU 28 -2.484 -6.809 5.715
205 HD11 LEU 28 HD11 LEU 28 -1.591 -8.868 4.862
206 HD12 LEU 28 HD12 LEU 28 -3.350 -8.833 4.793
207 HD13 LEU 28 HD13 LEU 28 -2.536 -9.793 6.041
208 HD21 LEU 28 HD21 LEU 28 -4.634 -7.643 6.455
209 HD22 LEU 28 HD22 LEU 28 -3.797 -6.674 7.684
210 HD23 LEU 28 HD23 LEU 28 -3.835 -8.437 7.827
211 H ASP 29 HN ASP 29 1.902 -8.085 8.144
212 HA ASP 29 HA ASP 29 2.057 -5.878 10.041
213 HB2 ASP 29 HB2 ASP 29 2.279 -8.213 10.805
214 HB3 ASP 29 HB1 ASP 29 3.655 -8.444 9.747
215 H LYS 30 HN LYS 30 3.136 -6.440 7.118
216 HA LYS 30 HA LYS 30 5.905 -5.726 7.328
217 HB2 LYS 30 HB2 LYS 30 4.106 -6.304 5.036
218 HB3 LYS 30 HB1 LYS 30 5.712 -5.651 4.790
219 HG2 LYS 30 HG2 LYS 30 5.184 -8.199 6.307
220 HG3 LYS 30 HG1 LYS 30 5.545 -8.139 4.576
221 HD2 LYS 30 HD2 LYS 30 7.650 -6.819 5.250
222 HD3 LYS 30 HD1 LYS 30 7.281 -7.321 6.884
223 HE2 LYS 30 HE2 LYS 30 7.557 -9.304 4.650
224 HE3 LYS 30 HE1 LYS 30 8.931 -8.760 5.600
225 HZ1 LYS 30 HZ1 LYS 30 6.524 -10.008 6.852
226 HZ2 LYS 30 HZ2 LYS 30 8.083 -9.762 7.511
227 HZ3 LYS 30 HZ3 LYS 30 7.845 -10.872 6.278
228 H SER 31 HN SER 31 6.187 -3.598 7.988
229 HA SER 31 HA SER 31 4.842 -1.456 6.839
230 HB2 SER 31 HB2 SER 31 7.605 -1.607 8.018
231 HB3 SER 31 HB1 SER 31 6.549 -0.204 7.853
232 HG SER 31 HG SER 31 6.699 -1.891 9.891
233 H PHE 32 HN PHE 32 4.989 -1.110 4.739
234 HA PHE 32 HA PHE 32 6.493 -1.908 2.715
235 HB2 PHE 32 HB2 PHE 32 5.761 0.964 3.157
236 HB3 PHE 32 HB1 PHE 32 6.346 0.285 1.667
237 HD1 PHE 32 HD1 PHE 32 5.013 -1.241 0.326
238 HD2 PHE 32 HD2 PHE 32 3.578 0.543 3.869
239 HE1 PHE 32 HE1 PHE 32 2.706 -1.891 -0.311
240 HE2 PHE 32 HE2 PHE 32 1.240 -0.097 3.241
241 HZ PHE 32 HZ PHE 32 0.883 -1.253 0.956
242 H THR 33 HN THR 33 7.545 1.375 3.596
243 HA THR 33 HA THR 33 10.204 0.720 2.911
244 HB THR 33 HB THR 33 10.071 3.305 3.896
245 HG1 THR 33 HG1 THR 33 7.961 3.998 3.364
246 HG21 THR 33 HG21 THR 33 9.563 2.186 1.120
247 HG22 THR 33 HG22 THR 33 11.134 2.454 1.835
248 HG23 THR 33 HG23 THR 33 10.085 3.830 1.481
249 H ASP 34 HN ASP 34 9.631 -0.772 5.117
250 HA ASP 34 HA ASP 34 11.636 0.186 6.982
251 HB2 ASP 34 HB2 ASP 34 9.664 1.175 7.956
252 HB3 ASP 34 HB1 ASP 34 8.802 -0.353 7.853
253 H ASP 35 HN ASP 35 9.056 -2.246 6.813
254 HA ASP 35 HA ASP 35 10.877 -4.229 7.915
255 HB2 ASP 35 HB2 ASP 35 8.313 -3.828 8.529
256 HB3 ASP 35 HB1 ASP 35 8.067 -4.872 7.130
257 H LEU 36 HN LEU 36 8.856 -3.710 5.049
258 HA LEU 36 HA LEU 36 9.932 -5.927 3.575
259 HB2 LEU 36 HB2 LEU 36 8.611 -3.359 2.629
260 HB3 LEU 36 HB1 LEU 36 9.044 -4.680 1.575
261 HG LEU 36 HG LEU 36 7.038 -4.919 3.818
262 HD11 LEU 36 HD11 LEU 36 6.615 -4.510 0.856
263 HD12 LEU 36 HD12 LEU 36 6.273 -3.325 2.119
264 HD13 LEU 36 HD13 LEU 36 5.352 -4.827 2.045
265 HD21 LEU 36 HD21 LEU 36 6.408 -6.965 2.640
266 HD22 LEU 36 HD22 LEU 36 8.097 -7.011 3.149
267 HD23 LEU 36 HD23 LEU 36 7.693 -6.683 1.463
268 H ASP 37 HN ASP 37 10.304 -2.425 3.389
269 HA ASP 37 HA ASP 37 12.014 -1.049 3.265
270 HB2 ASP 37 HB2 ASP 37 13.255 -2.310 4.896
271 HB3 ASP 37 HB1 ASP 37 13.696 -3.510 3.686
272 H VAL 38 HN VAL 38 11.322 -0.501 1.242
273 HA VAL 38 HA VAL 38 13.105 -1.545 -0.778
274 HB VAL 38 HB VAL 38 10.935 -2.145 -1.391
275 HG11 VAL 38 HG11 VAL 38 9.992 0.711 -1.071
276 HG12 VAL 38 HG12 VAL 38 9.632 -0.643 -0.011
277 HG13 VAL 38 HG13 VAL 38 9.047 -0.653 -1.669
278 HG21 VAL 38 HG21 VAL 38 10.634 -0.997 -3.548
279 HG22 VAL 38 HG22 VAL 38 12.314 -1.423 -3.227
280 HG23 VAL 38 HG23 VAL 38 11.772 0.244 -3.021
281 H ASP 39 HN ASP 39 11.297 1.587 -1.009
282 HA ASP 39 HA ASP 39 13.735 3.084 -0.919
283 HB2 ASP 39 HB2 ASP 39 13.561 1.969 -3.344
284 HB3 ASP 39 HB1 ASP 39 12.239 3.155 -3.445
285 H SER 40 HN SER 40 13.123 5.234 -1.868
286 HA SER 40 HA SER 40 10.984 6.208 -0.168
287 HB2 SER 40 HB2 SER 40 13.098 7.262 0.090
288 HB3 SER 40 HB1 SER 40 13.247 7.534 -1.646
289 H LEU 41 HN LEU 41 12.072 6.602 -3.508
290 HA LEU 41 HA LEU 41 9.792 8.250 -4.130
291 HB2 LEU 41 HB2 LEU 41 11.758 7.009 -6.049
292 HB3 LEU 41 HB1 LEU 41 10.559 8.210 -6.460
293 HG LEU 41 HG LEU 41 13.021 8.577 -4.774
294 HD11 LEU 41 HD11 LEU 41 13.377 8.583 -7.160
295 HD12 LEU 41 HD12 LEU 41 13.593 10.205 -6.503
296 HD13 LEU 41 HD13 LEU 41 12.115 9.794 -7.372
297 HD21 LEU 41 HD21 LEU 41 12.343 10.916 -4.513
298 HD22 LEU 41 HD22 LEU 41 11.186 9.825 -3.748
299 HD23 LEU 41 HD23 LEU 41 10.807 10.561 -5.305
300 H SER 42 HN SER 42 10.634 4.964 -4.316
301 HA SER 42 HA SER 42 8.661 4.129 -6.155
302 HB2 SER 42 HB2 SER 42 9.967 2.552 -3.930
303 HB3 SER 42 HB1 SER 42 9.202 1.906 -5.381
304 HG SER 42 HG SER 42 10.984 3.592 -6.283
305 H MET 43 HN MET 43 8.737 4.916 -2.782
306 HA MET 43 HA MET 43 6.432 3.480 -2.004
307 HB2 MET 43 HB2 MET 43 8.317 4.288 -0.540
308 HB3 MET 43 HB1 MET 43 7.605 5.890 -0.673
309 HG2 MET 43 HG2 MET 43 6.983 4.574 1.338
310 HG3 MET 43 HG1 MET 43 5.635 5.235 0.386
311 HE1 MET 43 HE1 MET 43 7.876 2.355 -0.699
312 HE2 MET 43 HE2 MET 43 7.020 0.898 -0.217
313 HE3 MET 43 HE3 MET 43 7.783 1.935 1.016
314 H VAL 44 HN VAL 44 7.100 6.768 -3.047
315 HA VAL 44 HA VAL 44 4.517 7.790 -2.582
316 HB VAL 44 HB VAL 44 6.634 8.797 -4.514
317 HG11 VAL 44 HG11 VAL 44 5.549 10.973 -4.235
318 HG12 VAL 44 HG12 VAL 44 4.324 10.231 -3.205
319 HG13 VAL 44 HG13 VAL 44 4.440 9.776 -4.906
320 HG21 VAL 44 HG21 VAL 44 7.560 8.595 -2.267
321 HG22 VAL 44 HG22 VAL 44 6.201 9.497 -1.602
322 HG23 VAL 44 HG23 VAL 44 7.339 10.294 -2.688
323 H GLU 45 HN GLU 45 6.143 6.235 -5.344
324 HA GLU 45 HA GLU 45 4.107 6.673 -7.211
325 HB2 GLU 45 HB2 GLU 45 6.159 4.487 -6.986
326 HB3 GLU 45 HB1 GLU 45 5.141 4.745 -8.397
327 HG2 GLU 45 HG2 GLU 45 7.186 6.656 -7.294
328 HG3 GLU 45 HG1 GLU 45 7.387 5.620 -8.706
329 H VAL 46 HN VAL 46 4.669 4.164 -4.776
330 HA VAL 46 HA VAL 46 2.594 2.413 -5.493
331 HB VAL 46 HB VAL 46 3.778 2.966 -2.732
332 HG11 VAL 46 HG11 VAL 46 2.799 0.819 -2.036
333 HG12 VAL 46 HG12 VAL 46 2.005 0.673 -3.604
334 HG13 VAL 46 HG13 VAL 46 1.547 1.972 -2.502
335 HG21 VAL 46 HG21 VAL 46 4.274 0.733 -4.702
336 HG22 VAL 46 HG22 VAL 46 4.992 0.867 -3.098
337 HG23 VAL 46 HG23 VAL 46 5.375 2.061 -4.337
338 H VAL 47 HN VAL 47 2.649 5.124 -3.225
339 HA VAL 47 HA VAL 47 0.025 5.221 -2.341
340 HB VAL 47 HB VAL 47 1.718 7.593 -3.193
341 HG11 VAL 47 HG11 VAL 47 -0.565 7.458 -1.232
342 HG12 VAL 47 HG12 VAL 47 -0.596 8.222 -2.821
343 HG13 VAL 47 HG13 VAL 47 0.436 8.875 -1.551
344 HG21 VAL 47 HG21 VAL 47 2.456 7.679 -0.852
345 HG22 VAL 47 HG22 VAL 47 2.937 6.178 -1.646
346 HG23 VAL 47 HG23 VAL 47 1.571 6.188 -0.531
347 H VAL 48 HN VAL 48 1.310 7.138 -5.004
348 HA VAL 48 HA VAL 48 -0.984 8.041 -6.234
349 HB VAL 48 HB VAL 48 1.512 7.103 -7.690
350 HG11 VAL 48 HG11 VAL 48 0.892 8.727 -9.417
351 HG12 VAL 48 HG12 VAL 48 -0.599 9.089 -8.545
352 HG13 VAL 48 HG13 VAL 48 -0.346 7.485 -9.227
353 HG21 VAL 48 HG21 VAL 48 2.041 8.693 -5.926
354 HG22 VAL 48 HG22 VAL 48 0.821 9.805 -6.543
355 HG23 VAL 48 HG23 VAL 48 2.251 9.436 -7.512
356 H ALA 49 HN ALA 49 0.669 4.981 -7.086
357 HA ALA 49 HA ALA 49 -1.217 4.200 -9.030
358 HB1 ALA 49 HB1 ALA 49 -0.147 2.034 -9.008
359 HB2 ALA 49 HB2 ALA 49 0.656 2.421 -7.488
360 HB3 ALA 49 HB3 ALA 49 1.069 3.311 -8.954
361 H ALA 50 HN ALA 50 -1.069 3.558 -5.564
362 HA ALA 50 HA ALA 50 -3.022 1.546 -5.476
363 HB1 ALA 50 HB1 ALA 50 -1.548 2.053 -3.578
364 HB2 ALA 50 HB2 ALA 50 -3.246 2.078 -3.102
365 HB3 ALA 50 HB3 ALA 50 -2.376 3.592 -3.350
366 H GLU 51 HN GLU 51 -3.271 5.048 -5.371
367 HA GLU 51 HA GLU 51 -5.999 5.292 -4.832
368 HB2 GLU 51 HB2 GLU 51 -4.274 7.056 -6.561
369 HB3 GLU 51 HB1 GLU 51 -5.797 7.490 -5.804
370 HG2 GLU 51 HG2 GLU 51 -4.744 7.170 -3.594
371 HG3 GLU 51 HG1 GLU 51 -3.222 6.827 -4.405
372 H GLU 52 HN GLU 52 -4.234 4.751 -7.741
373 HA GLU 52 HA GLU 52 -6.392 5.096 -9.594
374 HB2 GLU 52 HB2 GLU 52 -4.077 5.584 -10.160
375 HB3 GLU 52 HB1 GLU 52 -3.616 3.930 -9.824
376 HG2 GLU 52 HG2 GLU 52 -3.677 4.318 -12.185
377 HG3 GLU 52 HG1 GLU 52 -4.951 3.193 -11.734
378 H ARG 53 HN ARG 53 -4.808 2.399 -7.984
379 HA ARG 53 HA ARG 53 -6.008 0.386 -9.645
380 HB2 ARG 53 HB2 ARG 53 -3.748 0.170 -8.700
381 HB3 ARG 53 HB1 ARG 53 -4.440 0.112 -7.088
382 HG2 ARG 53 HG2 ARG 53 -3.874 -2.110 -7.823
383 HG3 ARG 53 HG1 ARG 53 -5.631 -1.956 -7.705
384 HD2 ARG 53 HD2 ARG 53 -5.728 -1.522 -10.114
385 HD3 ARG 53 HD1 ARG 53 -3.975 -1.743 -10.189
386 HE ARG 53 HE ARG 53 -4.830 -4.020 -9.059
387 HH11 ARG 53 HH11 ARG 53 -6.019 -2.351 -11.953
388 HH12 ARG 53 HH12 ARG 53 -6.221 -3.777 -12.860
389 HH21 ARG 53 HH21 ARG 53 -5.036 -5.950 -10.294
390 HH22 ARG 53 HH22 ARG 53 -5.615 -5.901 -11.903
391 H PHE 54 HN PHE 54 -6.529 1.641 -6.405
392 HA PHE 54 HA PHE 54 -8.572 -0.398 -5.906
393 HB2 PHE 54 HB2 PHE 54 -7.265 1.618 -4.106
394 HB3 PHE 54 HB1 PHE 54 -8.546 0.535 -3.606
395 HD1 PHE 54 HD2 PHE 54 -5.108 0.565 -5.028
396 HD2 PHE 54 HD1 PHE 54 -8.004 -1.559 -2.751
397 HE1 PHE 54 HE2 PHE 54 -3.455 -1.194 -4.527
398 HE2 PHE 54 HE1 PHE 54 -6.336 -3.272 -2.240
399 HZ PHE 54 HZ PHE 54 -4.009 -2.943 -2.929
400 H ASP 55 HN ASP 55 -8.413 2.688 -7.111
401 HA ASP 55 HA ASP 55 -9.874 4.338 -7.566
402 HB2 ASP 55 HB2 ASP 55 -11.879 2.216 -6.818
403 HB3 ASP 55 HB1 ASP 55 -12.402 3.848 -7.206
404 H VAL 56 HN VAL 56 -8.838 3.834 -4.799
405 HA VAL 56 HA VAL 56 -10.586 5.770 -3.495
406 HB VAL 56 HB VAL 56 -10.761 3.683 -2.280
407 HG11 VAL 56 HG11 VAL 56 -8.704 2.586 -2.948
408 HG12 VAL 56 HG12 VAL 56 -8.838 2.602 -1.189
409 HG13 VAL 56 HG13 VAL 56 -7.761 3.736 -2.002
410 HG21 VAL 56 HG21 VAL 56 -10.790 5.692 -0.943
411 HG22 VAL 56 HG22 VAL 56 -9.035 5.647 -0.787
412 HG23 VAL 56 HG23 VAL 56 -10.018 4.384 -0.045
413 H LYS 57 HN LYS 57 -9.732 7.583 -3.189
414 HA LYS 57 HA LYS 57 -6.995 8.103 -3.845
415 HB2 LYS 57 HB2 LYS 57 -9.203 9.900 -2.827
416 HB3 LYS 57 HB1 LYS 57 -7.588 10.465 -3.223
417 HG2 LYS 57 HG2 LYS 57 -9.448 9.112 -5.163
418 HG3 LYS 57 HG1 LYS 57 -9.255 10.856 -5.007
419 HD2 LYS 57 HD2 LYS 57 -6.909 9.070 -5.513
420 HD3 LYS 57 HD1 LYS 57 -7.918 9.611 -6.854
421 HE2 LYS 57 HE2 LYS 57 -5.923 11.020 -6.610
422 HE3 LYS 57 HE1 LYS 57 -7.377 11.947 -6.277
423 HZ1 LYS 57 HZ1 LYS 57 -5.569 10.792 -4.225
424 HZ2 LYS 57 HZ2 LYS 57 -6.869 11.865 -3.924
425 HZ3 LYS 57 HZ3 LYS 57 -5.524 12.383 -4.761
426 H ILE 58 HN ILE 58 -5.706 7.171 -2.378
427 HA ILE 58 HA ILE 58 -5.932 7.979 0.420
428 HB ILE 58 HB ILE 58 -3.748 6.251 -0.774
429 HG12 ILE 58 HG12 ILE 58 -6.379 5.254 0.352
430 HG13 ILE 58 HG11 ILE 58 -5.965 5.251 -1.358
431 HG21 ILE 58 HG21 ILE 58 -4.948 6.458 1.993
432 HG22 ILE 58 HG22 ILE 58 -3.405 7.140 1.473
433 HG23 ILE 58 HG23 ILE 58 -3.622 5.389 1.529
434 HD11 ILE 58 HD11 ILE 58 -4.557 3.725 0.817
435 HD12 ILE 58 HD12 ILE 58 -4.110 3.725 -0.889
436 HD13 ILE 58 HD13 ILE 58 -5.663 3.057 -0.384
437 HA PRO 59 HA PRO 59 -3.347 11.187 -1.415
438 HB2 PRO 59 HB2 PRO 59 -3.438 12.901 0.657
439 HB3 PRO 59 HB1 PRO 59 -4.726 12.779 -0.554
440 HG2 PRO 59 HG2 PRO 59 -4.604 11.629 2.205
441 HG3 PRO 59 HG1 PRO 59 -5.983 12.347 1.352
442 HD2 PRO 59 HD2 PRO 59 -5.622 9.677 1.612
443 HD3 PRO 59 HD1 PRO 59 -6.448 10.408 0.221
444 H ASP 60 HN ASP 60 -1.233 11.494 -1.363
445 HA ASP 60 HA ASP 60 0.703 10.217 -0.144
446 HB2 ASP 60 HB2 ASP 60 0.748 13.160 -0.798
447 HB3 ASP 60 HB1 ASP 60 2.149 12.115 -0.628
448 H ASP 61 HN ASP 61 -0.926 13.001 1.242
449 HA ASP 61 HA ASP 61 0.880 13.232 3.434
450 HB2 ASP 61 HB2 ASP 61 -0.615 14.899 4.347
451 HB3 ASP 61 HB1 ASP 61 -0.406 15.184 2.631
452 H ASP 62 HN ASP 62 -2.304 11.660 3.045
453 HA ASP 62 HA ASP 62 -2.399 11.043 5.884
454 HB2 ASP 62 HB2 ASP 62 -4.395 11.774 4.429
455 HB3 ASP 62 HB1 ASP 62 -4.346 10.144 3.774
456 H VAL 63 HN VAL 63 -1.503 9.629 2.941
457 HA VAL 63 HA VAL 63 -1.783 6.916 3.558
458 HB VAL 63 HB VAL 63 -1.242 8.083 1.312
459 HG11 VAL 63 HG11 VAL 63 0.752 9.227 1.898
460 HG12 VAL 63 HG12 VAL 63 1.085 8.062 0.617
461 HG13 VAL 63 HG13 VAL 63 1.561 7.707 2.278
462 HG21 VAL 63 HG21 VAL 63 -0.205 6.094 0.379
463 HG22 VAL 63 HG22 VAL 63 -1.545 5.720 1.471
464 HG23 VAL 63 HG23 VAL 63 0.128 5.509 2.011
465 H LYS 64 HN LYS 64 0.442 9.296 4.605
466 HA LYS 64 HA LYS 64 2.574 7.595 5.328
467 HB2 LYS 64 HB2 LYS 64 1.945 10.343 6.389
468 HB3 LYS 64 HB1 LYS 64 3.490 9.511 6.495
469 HG2 LYS 64 HG2 LYS 64 3.644 9.549 4.035
470 HG3 LYS 64 HG1 LYS 64 2.139 10.455 3.972
471 HD2 LYS 64 HD2 LYS 64 3.201 12.200 5.389
472 HD3 LYS 64 HD1 LYS 64 4.722 11.315 5.262
473 HE2 LYS 64 HE2 LYS 64 4.585 11.531 2.796
474 HE3 LYS 64 HE1 LYS 64 3.126 12.501 3.000
475 HZ1 LYS 64 HZ1 LYS 64 4.468 14.047 4.350
476 HZ2 LYS 64 HZ2 LYS 64 4.918 13.972 2.740
477 HZ3 LYS 64 HZ3 LYS 64 5.865 13.184 3.932
478 H ASN 65 HN ASN 65 -0.461 7.941 6.614
479 HA ASN 65 HA ASN 65 0.311 7.374 9.355
480 HB2 ASN 65 HB2 ASN 65 -2.451 7.460 8.090
481 HB3 ASN 65 HB1 ASN 65 -2.134 7.194 9.797
482 HD21 ASN 65 HD21 ASN 65 -2.414 9.459 7.294
483 HD22 ASN 65 HD22 ASN 65 -2.194 10.900 8.244
484 H LEU 66 HN LEU 66 -0.405 5.715 6.443
485 HA LEU 66 HA LEU 66 -1.565 3.379 7.558
486 HB2 LEU 66 HB2 LEU 66 -0.120 3.603 4.911
487 HB3 LEU 66 HB1 LEU 66 -1.236 2.360 5.383
488 HG LEU 66 HG LEU 66 -1.936 5.251 4.877
489 HD11 LEU 66 HD11 LEU 66 -1.458 4.014 2.857
490 HD12 LEU 66 HD12 LEU 66 -3.184 4.361 2.987
491 HD13 LEU 66 HD13 LEU 66 -2.578 2.744 3.349
492 HD21 LEU 66 HD21 LEU 66 -3.347 4.329 6.637
493 HD22 LEU 66 HD22 LEU 66 -3.704 2.930 5.619
494 HD23 LEU 66 HD23 LEU 66 -4.266 4.520 5.140
495 H LYS 67 HN LYS 67 1.600 3.661 5.899
496 HA LYS 67 HA LYS 67 3.655 2.981 6.412
497 HB2 LYS 67 HB2 LYS 67 2.463 2.372 9.107
498 HB3 LYS 67 HB1 LYS 67 4.141 2.023 8.723
499 HG2 LYS 67 HG2 LYS 67 2.945 4.742 8.402
500 HG3 LYS 67 HG1 LYS 67 3.682 4.184 9.911
501 HD2 LYS 67 HD2 LYS 67 5.703 3.742 8.852
502 HD3 LYS 67 HD1 LYS 67 5.067 4.063 7.261
503 HE2 LYS 67 HE2 LYS 67 6.375 6.010 8.062
504 HE3 LYS 67 HE1 LYS 67 4.681 6.424 7.824
505 HZ1 LYS 67 HZ1 LYS 67 5.951 5.803 10.448
506 HZ2 LYS 67 HZ2 LYS 67 4.339 6.252 10.230
507 HZ3 LYS 67 HZ3 LYS 67 5.574 7.340 9.874
508 H THR 68 HN THR 68 1.199 0.719 7.379
509 HA THR 68 HA THR 68 2.976 -1.361 6.427
510 HB THR 68 HB THR 68 1.547 -2.860 7.814
511 HG1 THR 68 HG1 THR 68 0.657 -1.204 9.588
512 HG21 THR 68 HG21 THR 68 3.106 -0.607 9.055
513 HG22 THR 68 HG22 THR 68 3.688 -2.163 8.456
514 HG23 THR 68 HG23 THR 68 2.650 -2.114 9.898
515 H VAL 69 HN VAL 69 2.131 -3.053 5.361
516 HA VAL 69 HA VAL 69 0.297 -2.500 3.353
517 HB VAL 69 HB VAL 69 0.348 -5.095 3.155
518 HG11 VAL 69 HG11 VAL 69 2.606 -4.970 2.127
519 HG12 VAL 69 HG12 VAL 69 2.901 -3.463 2.989
520 HG13 VAL 69 HG13 VAL 69 1.669 -3.532 1.727
521 HG21 VAL 69 HG21 VAL 69 2.570 -4.605 5.087
522 HG22 VAL 69 HG22 VAL 69 2.286 -6.105 4.202
523 HG23 VAL 69 HG23 VAL 69 1.102 -5.536 5.379
524 H GLY 70 HN GLY 70 -0.146 -3.814 6.553
525 HA2 GLY 70 HA2 GLY 70 -2.793 -4.774 6.082
526 HA3 GLY 70 HA1 GLY 70 -2.009 -4.565 7.642
527 H ASP 71 HN ASP 71 -1.370 -1.774 7.359
528 HA ASP 71 HA ASP 71 -3.925 -0.761 8.178
529 HB2 ASP 71 HB2 ASP 71 -1.610 -0.165 9.118
530 HB3 ASP 71 HB1 ASP 71 -1.463 0.887 7.720
531 H ALA 72 HN ALA 72 -1.847 -0.535 5.383
532 HA ALA 72 HA ALA 72 -3.134 1.461 3.926
533 HB1 ALA 72 HB1 ALA 72 -1.060 0.377 3.175
534 HB2 ALA 72 HB2 ALA 72 -2.298 0.286 1.921
535 HB3 ALA 72 HB3 ALA 72 -1.937 -1.130 2.909
536 H THR 73 HN THR 73 -3.686 -2.088 3.654
537 HA THR 73 HA THR 73 -6.069 -2.248 2.539
538 HB THR 73 HB THR 73 -5.035 -3.733 4.943
539 HG1 THR 73 HG1 THR 73 -3.584 -4.255 3.465
540 HG21 THR 73 HG21 THR 73 -7.411 -4.162 4.542
541 HG22 THR 73 HG22 THR 73 -6.462 -5.584 4.076
542 HG23 THR 73 HG23 THR 73 -7.079 -4.468 2.846
543 H LYS 74 HN LYS 74 -5.603 -1.817 6.100
544 HA LYS 74 HA LYS 74 -8.213 -1.638 6.919
545 HB2 LYS 74 HB2 LYS 74 -6.376 -1.689 8.486
546 HB3 LYS 74 HB1 LYS 74 -5.783 -0.144 7.913
547 HG2 LYS 74 HG2 LYS 74 -6.824 0.120 10.063
548 HG3 LYS 74 HG1 LYS 74 -7.784 0.946 8.840
549 HD2 LYS 74 HD2 LYS 74 -9.353 -0.934 8.809
550 HD3 LYS 74 HD1 LYS 74 -8.377 -1.776 10.016
551 HE2 LYS 74 HE2 LYS 74 -8.717 0.111 11.568
552 HE3 LYS 74 HE1 LYS 74 -9.759 0.878 10.374
553 HZ1 LYS 74 HZ1 LYS 74 -10.922 -0.324 12.151
554 HZ2 LYS 74 HZ2 LYS 74 -10.307 -1.798 11.553
555 HZ3 LYS 74 HZ3 LYS 74 -11.356 -0.865 10.621
556 H TYR 75 HN TYR 75 -6.347 0.882 5.335
557 HA TYR 75 HA TYR 75 -8.270 2.978 5.765
558 HB2 TYR 75 HB2 TYR 75 -5.866 3.443 5.246
559 HB3 TYR 75 HB1 TYR 75 -6.103 2.767 3.644
560 HD1 TYR 75 HD2 TYR 75 -7.629 4.009 2.021
561 HD2 TYR 75 HD1 TYR 75 -6.392 5.702 5.724
562 HE1 TYR 75 HE2 TYR 75 -8.260 6.241 1.208
563 HE2 TYR 75 HE1 TYR 75 -7.011 7.949 4.892
564 HH TYR 75 HH TYR 75 -7.513 9.132 2.981
565 H ILE 76 HN ILE 76 -7.294 1.040 3.011
566 HA ILE 76 HA ILE 76 -9.205 1.865 1.189
567 HB ILE 76 HB ILE 76 -7.748 -0.777 1.343
568 HG12 ILE 76 HG12 ILE 76 -6.993 1.759 -0.115
569 HG13 ILE 76 HG11 ILE 76 -6.330 1.284 1.441
570 HG21 ILE 76 HG21 ILE 76 -8.091 -0.821 -1.087
571 HG22 ILE 76 HG22 ILE 76 -8.991 0.693 -0.993
572 HG23 ILE 76 HG23 ILE 76 -9.637 -0.766 -0.237
573 HD11 ILE 76 HD11 ILE 76 -6.059 -0.237 -1.135
574 HD12 ILE 76 HD12 ILE 76 -5.388 -0.711 0.428
575 HD13 ILE 76 HD13 ILE 76 -4.815 0.755 -0.372
576 H LEU 77 HN LEU 77 -9.129 -0.996 3.252
577 HA LEU 77 HA LEU 77 -11.442 -2.353 2.629
578 HB2 LEU 77 HB2 LEU 77 -9.795 -3.148 4.204
579 HB3 LEU 77 HB1 LEU 77 -10.165 -1.846 5.311
580 HG LEU 77 HG LEU 77 -12.434 -2.849 5.608
581 HD11 LEU 77 HD11 LEU 77 -12.574 -4.100 3.556
582 HD12 LEU 77 HD12 LEU 77 -12.770 -5.156 4.956
583 HD13 LEU 77 HD13 LEU 77 -11.242 -5.132 4.076
584 HD21 LEU 77 HD21 LEU 77 -10.651 -3.194 7.222
585 HD22 LEU 77 HD22 LEU 77 -10.077 -4.584 6.300
586 HD23 LEU 77 HD23 LEU 77 -11.658 -4.635 7.074
587 H ASP 78 HN ASP 78 -11.016 0.453 4.555
588 HA ASP 78 HA ASP 78 -13.828 0.573 5.372
589 HB2 ASP 78 HB2 ASP 78 -12.098 1.216 6.973
590 HB3 ASP 78 HB1 ASP 78 -11.558 2.490 5.887
591 H HIS 79 HN HIS 79 -11.565 2.520 3.588
592 HA HIS 79 HA HIS 79 -13.453 4.536 2.818
593 HB2 HIS 79 HB2 HIS 79 -10.549 4.082 2.405
594 HB3 HIS 79 HB1 HIS 79 -11.311 5.356 1.504
595 HD1 HIS 79 HD1 HIS 79 -11.485 7.589 2.738
596 HD2 HIS 79 HD2 HIS 79 -10.668 4.419 5.319
597 HE1 HIS 79 HE1 HIS 79 -10.921 8.628 4.916
598 HE2 HIS 79 HE2 HIS 79 -10.549 6.759 6.499
599 H GLN 80 HN GLN 80 -13.178 1.602 1.605
600 HA GLN 80 HA GLN 80 -12.743 1.256 -0.968
601 HB2 GLN 80 HB2 GLN 80 -15.182 0.523 0.518
602 HB3 GLN 80 HB1 GLN 80 -14.965 -0.001 -1.147
603 HG2 GLN 80 HG2 GLN 80 -13.150 -0.627 1.173
604 HG3 GLN 80 HG1 GLN 80 -14.336 -1.713 0.442
605 HE21 GLN 80 HE21 GLN 80 -11.445 -1.910 0.708
606 HE22 GLN 80 HE22 GLN 80 -10.861 -2.182 -0.901
607 H ALA 81 HN ALA 81 -12.855 2.551 -2.569
608 HA ALA 81 HA ALA 81 -13.504 3.950 -4.158
609 HB1 ALA 81 HB1 ALA 81 -15.821 2.043 -4.296
610 HB2 ALA 81 HB2 ALA 81 -14.199 1.736 -4.919
611 HB3 ALA 81 HB3 ALA 81 -15.182 3.029 -5.610
612 H2 SHW 101 H2A SHW 101 3.260 6.240 2.531
613 H2A SHW 101 H2B SHW 101 4.169 4.928 1.812
614 H3 SHW 101 H3A SHW 101 2.681 4.825 4.444
615 HO3 SHW 101 HO3 SHW 101 4.773 3.411 3.707
616 H4 SHW 101 H4A SHW 101 1.266 4.758 2.441
617 H4A SHW 101 H4B SHW 101 1.295 3.183 3.221
618 H5 SHW 101 H5A SHW 101 2.726 2.278 1.558
619 H5A SHW 101 H5B SHW 101 3.080 3.868 0.892
620 H6 SHW 101 H6A SHW 101 1.539 2.662 -0.550
621 H6A SHW 101 H6B SHW 101 0.769 4.089 0.137
622 H7 SHW 101 H7A SHW 101 -0.354 2.689 1.808
623 H7A SHW 101 H7B SHW 101 0.402 1.253 1.091
624 H8 SHW 101 H8C SHW 101 -0.709 1.756 -1.030
625 H8A SHW 101 H8A SHW 101 -1.444 3.187 -0.310
626 H8B SHW 101 H8B SHW 101 -1.884 1.582 0.272
627 H28 SHW 101 H28A SHW 101 11.067 11.195 1.496
628 H28A SHW 101 H28B SHW 101 10.865 9.446 1.643
629 H30 SHW 101 H30A SHW 101 12.211 12.445 3.252
630 H30A SHW 101 H30B SHW 101 13.573 11.329 3.168
631 H30B SHW 101 H30C SHW 101 12.785 11.641 4.714
632 H31 SHW 101 H31A SHW 101 9.948 11.625 3.669
633 H31A SHW 101 H31B SHW 101 10.466 10.769 5.121
634 H31B SHW 101 H31C SHW 101 9.638 9.896 3.831
635 H32 SHW 101 H32A SHW 101 13.232 8.821 3.535
636 HO33 SHW 101 H33A SHW 101 11.777 8.963 5.880
637 HN36 SHW 101 H36A SHW 101 12.604 7.077 5.108
638 H37 SHW 101 H37A SHW 101 10.512 5.407 3.774
639 H37A SHW 101 H37B SHW 101 11.992 4.807 4.473
640 H38 SHW 101 H38A SHW 101 10.345 4.150 5.923
641 H38A SHW 101 H38B SHW 101 11.163 5.498 6.749
642 HN41 SHW 101 H41A SHW 101 9.239 6.757 4.354
643 H42 SHW 101 H42A SHW 101 6.676 6.447 5.372
644 H42A SHW 101 H42B SHW 101 7.341 8.016 5.907
645 H43 SHW 101 H43A SHW 101 7.449 7.051 3.068
646 H43A SHW 101 H43B SHW 101 7.347 8.758 3.598
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