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 |
|
|
611481 |
2n9k   |
25909 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 H MET 1 -16.310 -1.120 1.405
2 HA MET 1 HA MET 1 -14.449 -1.616 -0.074
3 HB2 MET 1 HB2 MET 1 -16.699 -2.650 -0.389
4 HB3 MET 1 HB3 MET 1 -17.045 -1.474 -1.657
5 HG2 MET 1 HG2 MET 1 -15.498 -2.483 -3.123
6 HG3 MET 1 HG3 MET 1 -14.491 -3.046 -1.809
7 HE1 MET 1 HE1 MET 1 -14.427 -4.978 -3.921
8 HE2 MET 1 HE2 MET 1 -13.875 -5.341 -2.273
9 HE3 MET 1 HE3 MET 1 -14.910 -6.498 -3.125
10 H GLY 2 H GLY 2 -14.085 -1.175 -2.732
11 HA2 GLY 2 HA2 GLY 2 -14.276 0.844 -4.269
12 HA3 GLY 2 HA3 GLY 2 -13.434 1.680 -2.946
13 H THR 3 H THR 3 -11.982 1.853 -4.985
14 HA THR 3 HA THR 3 -10.162 -0.483 -5.251
15 HB THR 3 HB THR 3 -10.265 2.014 -6.961
16 HG1 THR 3 HG1 THR 3 -11.424 0.724 -8.417
17 HG21 THR 3 HG21 THR 3 -8.159 0.669 -7.052
18 HG22 THR 3 HG22 THR 3 -9.040 0.611 -8.582
19 HG23 THR 3 HG23 THR 3 -9.109 -0.772 -7.470
20 H TYR 4 H TYR 4 -8.344 -0.355 -4.132
21 HA TYR 4 HA TYR 4 -7.549 2.208 -2.848
22 HB2 TYR 4 HB2 TYR 4 -7.041 -0.740 -2.243
23 HB3 TYR 4 HB3 TYR 4 -6.129 0.542 -1.488
24 HD1 TYR 4 HD1 TYR 4 -7.184 2.240 -0.016
25 HD2 TYR 4 HD2 TYR 4 -9.350 -1.172 -1.541
26 HE1 TYR 4 HE1 TYR 4 -8.886 2.538 1.759
27 HE2 TYR 4 HE2 TYR 4 -11.078 -0.831 0.155
28 HH TYR 4 HH TYR 4 -10.997 1.808 2.603
29 H LYS 5 H LYS 5 -5.235 2.674 -2.862
30 HA LYS 5 HA LYS 5 -3.666 1.390 -5.053
31 HB2 LYS 5 HB2 LYS 5 -4.652 3.575 -5.814
32 HB3 LYS 5 HB3 LYS 5 -3.898 4.339 -4.420
33 HG2 LYS 5 HG2 LYS 5 -1.628 3.514 -5.350
34 HG3 LYS 5 HG3 LYS 5 -2.506 3.103 -6.830
35 HD2 LYS 5 HD2 LYS 5 -3.196 5.469 -7.027
36 HD3 LYS 5 HD3 LYS 5 -2.379 5.808 -5.460
37 HE2 LYS 5 HE2 LYS 5 -0.235 5.207 -6.336
38 HE3 LYS 5 HE3 LYS 5 -0.933 4.641 -7.848
39 HZ1 LYS 5 HZ1 LYS 5 -1.026 7.472 -6.975
40 HZ2 LYS 5 HZ2 LYS 5 -1.431 6.847 -8.463
41 HZ3 LYS 5 HZ3 LYS 5 0.121 6.798 -7.947
42 H LEU 6 H LEU 6 -1.486 1.251 -4.642
43 HA LEU 6 HA LEU 6 -0.550 2.045 -1.900
44 HB2 LEU 6 HB2 LEU 6 -0.802 -0.380 -2.055
45 HB3 LEU 6 HB3 LEU 6 0.102 -0.385 -3.551
46 HG LEU 6 HG LEU 6 2.154 0.336 -2.306
47 HD11 LEU 6 HD11 LEU 6 1.207 1.561 -0.435
48 HD12 LEU 6 HD12 LEU 6 2.096 0.191 0.206
49 HD13 LEU 6 HD13 LEU 6 0.320 0.134 0.122
50 HD21 LEU 6 HD21 LEU 6 0.708 -2.191 -1.460
51 HD22 LEU 6 HD22 LEU 6 2.368 -1.836 -0.965
52 HD23 LEU 6 HD23 LEU 6 1.968 -1.978 -2.683
53 H ILE 7 H ILE 7 1.268 3.104 -1.865
54 HA ILE 7 HA ILE 7 2.886 3.462 -4.354
55 HB ILE 7 HB ILE 7 2.309 5.490 -2.186
56 HG12 ILE 7 HG12 ILE 7 1.337 5.320 -5.056
57 HG13 ILE 7 HG13 ILE 7 0.349 5.149 -3.610
58 HG21 ILE 7 HG21 ILE 7 3.837 5.832 -4.823
59 HG22 ILE 7 HG22 ILE 7 3.636 7.054 -3.548
60 HG23 ILE 7 HG23 ILE 7 4.623 5.641 -3.241
61 HD11 ILE 7 HD11 ILE 7 0.832 7.503 -2.991
62 HD12 ILE 7 HD12 ILE 7 1.710 7.707 -4.531
63 HD13 ILE 7 HD13 ILE 7 -0.013 7.336 -4.546
64 H LEU 8 H LEU 8 4.618 2.238 -4.114
65 HA LEU 8 HA LEU 8 5.784 1.646 -1.471
66 HB2 LEU 8 HB2 LEU 8 6.455 0.751 -4.304
67 HB3 LEU 8 HB3 LEU 8 7.258 0.176 -2.888
68 HG LEU 8 HG LEU 8 4.378 -0.237 -3.512
69 HD11 LEU 8 HD11 LEU 8 5.105 -2.606 -3.945
70 HD12 LEU 8 HD12 LEU 8 6.778 -2.174 -3.540
71 HD13 LEU 8 HD13 LEU 8 6.007 -1.500 -4.988
72 HD21 LEU 8 HD21 LEU 8 4.536 -2.002 -1.714
73 HD22 LEU 8 HD22 LEU 8 4.529 -0.330 -1.167
74 HD23 LEU 8 HD23 LEU 8 6.060 -1.246 -1.201
75 H ASN 9 H ASN 9 6.903 3.308 -0.782
76 HA ASN 9 HA ASN 9 8.669 4.934 -2.589
77 HB2 ASN 9 HB2 ASN 9 7.238 5.644 -0.021
78 HB3 ASN 9 HB3 ASN 9 8.707 6.492 -0.509
79 HD21 ASN 9 HD21 ASN 9 6.422 7.959 -0.143
80 HD22 ASN 9 HD22 ASN 9 6.008 8.558 -1.719
81 H GLY 10 H GLY 10 10.101 2.820 -2.357
82 HA2 GLY 10 HA2 GLY 10 11.394 2.721 0.199
83 HA3 GLY 10 HA3 GLY 10 11.625 1.601 -1.117
84 H LYS 11 H LYS 11 13.525 2.669 0.552
85 HA LYS 11 HA LYS 11 15.102 4.784 -0.654
86 HB2 LYS 11 HB2 LYS 11 15.996 2.433 1.124
87 HB3 LYS 11 HB3 LYS 11 16.920 3.888 0.824
88 HG2 LYS 11 HG2 LYS 11 14.425 3.548 2.493
89 HG3 LYS 11 HG3 LYS 11 16.031 4.044 3.014
90 HD2 LYS 11 HD2 LYS 11 14.057 5.643 1.361
91 HD3 LYS 11 HD3 LYS 11 14.578 5.961 3.022
92 HE2 LYS 11 HE2 LYS 11 16.760 6.619 2.356
93 HE3 LYS 11 HE3 LYS 11 16.553 5.952 0.729
94 HZ1 LYS 11 HZ1 LYS 11 15.075 8.291 1.755
95 HZ2 LYS 11 HZ2 LYS 11 14.918 7.588 0.256
96 HZ3 LYS 11 HZ3 LYS 11 16.322 8.296 0.671
97 H THR 12 H THR 12 14.709 1.338 -1.153
98 HA THR 12 HA THR 12 17.128 1.224 -2.874
99 HB THR 12 HB THR 12 16.894 -1.200 -2.443
100 HG1 THR 12 HG1 THR 12 14.966 -0.542 -0.425
101 HG21 THR 12 HG21 THR 12 17.718 -1.220 -0.185
102 HG22 THR 12 HG22 THR 12 16.971 0.343 0.185
103 HG23 THR 12 HG23 THR 12 18.324 0.248 -0.959
104 H LEU 13 H LEU 13 13.686 0.133 -2.769
105 HA LEU 13 HA LEU 13 13.595 0.263 -5.737
106 HB2 LEU 13 HB2 LEU 13 13.960 -2.029 -5.146
107 HB3 LEU 13 HB3 LEU 13 12.815 -1.969 -3.819
108 HG LEU 13 HG LEU 13 11.836 -1.637 -6.663
109 HD11 LEU 13 HD11 LEU 13 11.533 -4.082 -6.776
110 HD12 LEU 13 HD12 LEU 13 12.303 -4.264 -5.183
111 HD13 LEU 13 HD13 LEU 13 13.243 -3.685 -6.561
112 HD21 LEU 13 HD21 LEU 13 10.581 -2.786 -4.117
113 HD22 LEU 13 HD22 LEU 13 9.804 -2.808 -5.709
114 HD23 LEU 13 HD23 LEU 13 10.100 -1.278 -4.896
115 H LYS 14 H LYS 14 11.515 0.882 -6.553
116 HA LYS 14 HA LYS 14 9.406 1.591 -4.591
117 HB2 LYS 14 HB2 LYS 14 10.586 3.398 -6.738
118 HB3 LYS 14 HB3 LYS 14 9.057 3.681 -5.901
119 HG2 LYS 14 HG2 LYS 14 9.971 4.452 -4.050
120 HG3 LYS 14 HG3 LYS 14 11.201 3.210 -3.976
121 HD2 LYS 14 HD2 LYS 14 11.374 5.769 -5.577
122 HD3 LYS 14 HD3 LYS 14 12.173 5.425 -4.038
123 HE2 LYS 14 HE2 LYS 14 13.314 3.447 -5.081
124 HE3 LYS 14 HE3 LYS 14 12.585 3.901 -6.636
125 HZ1 LYS 14 HZ1 LYS 14 14.590 4.800 -6.759
126 HZ2 LYS 14 HZ2 LYS 14 14.727 5.257 -5.191
127 HZ3 LYS 14 HZ3 LYS 14 13.761 6.103 -6.274
128 H GLY 15 H GLY 15 7.275 1.958 -5.710
129 HA2 GLY 15 HA2 GLY 15 6.783 1.234 -8.378
130 HA3 GLY 15 HA3 GLY 15 6.636 -0.236 -7.402
131 H GLU 16 H GLU 16 4.311 0.291 -8.511
132 HA GLU 16 HA GLU 16 2.635 1.315 -6.319
133 HB2 GLU 16 HB2 GLU 16 2.591 2.400 -9.168
134 HB3 GLU 16 HB3 GLU 16 1.180 2.430 -8.106
135 HG2 GLU 16 HG2 GLU 16 2.549 3.720 -6.436
136 HG3 GLU 16 HG3 GLU 16 3.796 3.908 -7.684
137 H THR 17 H THR 17 0.527 0.430 -6.370
138 HA THR 17 HA THR 17 -0.290 -1.385 -8.475
139 HB THR 17 HB THR 17 1.162 -2.799 -7.072
140 HG1 THR 17 HG1 THR 17 -0.199 -4.207 -7.720
141 HG21 THR 17 HG21 THR 17 -0.782 -2.260 -4.799
142 HG22 THR 17 HG22 THR 17 0.961 -1.885 -4.854
143 HG23 THR 17 HG23 THR 17 0.423 -3.560 -4.819
144 H THR 18 H THR 18 -2.575 -2.149 -7.995
145 HA THR 18 HA THR 18 -4.058 -0.455 -6.136
146 HB THR 18 HB THR 18 -5.774 -0.244 -8.108
147 HG1 THR 18 HG1 THR 18 -4.870 -1.516 -9.690
148 HG21 THR 18 HG21 THR 18 -4.508 1.681 -7.244
149 HG22 THR 18 HG22 THR 18 -4.696 1.775 -9.003
150 HG23 THR 18 HG23 THR 18 -3.141 1.269 -8.313
151 H THR 19 H THR 19 -5.939 -1.582 -5.320
152 HA THR 19 HA THR 19 -6.692 -4.098 -6.547
153 HB THR 19 HB THR 19 -4.737 -4.662 -5.052
154 HG1 THR 19 HG1 THR 19 -6.360 -6.181 -5.561
155 HG21 THR 19 HG21 THR 19 -4.927 -4.601 -2.685
156 HG22 THR 19 HG22 THR 19 -6.654 -4.188 -2.740
157 HG23 THR 19 HG23 THR 19 -5.442 -3.001 -3.238
158 H GLU 20 H GLU 20 -8.837 -4.803 -5.783
159 HA GLU 20 HA GLU 20 -10.418 -2.567 -4.705
160 HB2 GLU 20 HB2 GLU 20 -11.343 -5.220 -5.898
161 HB3 GLU 20 HB3 GLU 20 -12.319 -3.807 -5.504
162 HG2 GLU 20 HG2 GLU 20 -12.018 -3.674 -7.833
163 HG3 GLU 20 HG3 GLU 20 -10.914 -2.486 -7.125
164 H ALA 21 H ALA 21 -10.589 -2.603 -2.533
165 HA ALA 21 HA ALA 21 -10.705 -5.295 -1.182
166 HB1 ALA 21 HB1 ALA 21 -9.584 -4.469 0.721
167 HB2 ALA 21 HB2 ALA 21 -8.595 -4.060 -0.696
168 HB3 ALA 21 HB3 ALA 21 -9.600 -2.824 0.102
169 H VAL 22 H VAL 22 -12.166 -5.646 0.343
170 HA VAL 22 HA VAL 22 -14.644 -4.287 0.233
171 HB VAL 22 HB VAL 22 -15.287 -5.838 2.055
172 HG11 VAL 22 HG11 VAL 22 -15.337 -6.577 -0.302
173 HG12 VAL 22 HG12 VAL 22 -13.682 -7.193 -0.161
174 HG13 VAL 22 HG13 VAL 22 -14.985 -7.914 0.799
175 HG21 VAL 22 HG21 VAL 22 -12.366 -6.757 1.993
176 HG22 VAL 22 HG22 VAL 22 -13.149 -5.912 3.338
177 HG23 VAL 22 HG23 VAL 22 -13.678 -7.507 2.893
178 H ASP 23 H ASP 23 -11.947 -3.960 2.562
179 HA ASP 23 HA ASP 23 -13.111 -1.556 3.694
180 HB2 ASP 23 HB2 ASP 23 -12.765 -2.342 6.018
181 HB3 ASP 23 HB3 ASP 23 -14.120 -3.083 5.183
182 H ALA 24 H ALA 24 -11.445 -0.609 5.221
183 HA ALA 24 HA ALA 24 -8.986 -0.327 3.842
184 HB1 ALA 24 HB1 ALA 24 -9.942 1.462 5.225
185 HB2 ALA 24 HB2 ALA 24 -9.748 0.472 6.691
186 HB3 ALA 24 HB3 ALA 24 -8.325 1.043 5.798
187 H ALA 25 H ALA 25 -9.904 -2.503 6.550
188 HA ALA 25 HA ALA 25 -7.171 -3.034 7.324
189 HB1 ALA 25 HB1 ALA 25 -9.006 -3.468 8.849
190 HB2 ALA 25 HB2 ALA 25 -9.732 -4.622 7.708
191 HB3 ALA 25 HB3 ALA 25 -8.169 -4.992 8.487
192 H THR 26 H THR 26 -9.516 -4.700 5.187
193 HA THR 26 HA THR 26 -7.786 -6.813 4.376
194 HB THR 26 HB THR 26 -9.937 -5.395 2.777
195 HG1 THR 26 HG1 THR 26 -10.835 -6.018 4.710
196 HG21 THR 26 HG21 THR 26 -8.859 -8.234 2.605
197 HG22 THR 26 HG22 THR 26 -8.651 -6.957 1.397
198 HG23 THR 26 HG23 THR 26 -10.258 -7.619 1.702
199 H ALA 27 H ALA 27 -8.346 -3.498 3.056
200 HA ALA 27 HA ALA 27 -6.631 -3.731 0.870
201 HB1 ALA 27 HB1 ALA 27 -8.251 -1.797 1.422
202 HB2 ALA 27 HB2 ALA 27 -7.072 -1.210 2.588
203 HB3 ALA 27 HB3 ALA 27 -6.654 -1.254 0.875
204 H GLU 28 H GLU 28 -5.929 -2.469 4.132
205 HA GLU 28 HA GLU 28 -3.214 -1.924 3.739
206 HB2 GLU 28 HB2 GLU 28 -4.756 -1.094 5.545
207 HB3 GLU 28 HB3 GLU 28 -4.623 -2.678 6.326
208 HG2 GLU 28 HG2 GLU 28 -2.140 -2.283 6.527
209 HG3 GLU 28 HG3 GLU 28 -2.369 -0.684 5.794
210 H LYS 29 H LYS 29 -4.817 -4.948 4.775
211 HA LYS 29 HA LYS 29 -2.358 -6.333 5.458
212 HB2 LYS 29 HB2 LYS 29 -5.152 -7.266 4.716
213 HB3 LYS 29 HB3 LYS 29 -3.828 -8.385 5.101
214 HG2 LYS 29 HG2 LYS 29 -3.593 -7.434 7.323
215 HG3 LYS 29 HG3 LYS 29 -4.902 -6.299 7.025
216 HD2 LYS 29 HD2 LYS 29 -5.040 -9.312 7.361
217 HD3 LYS 29 HD3 LYS 29 -5.807 -8.051 8.317
218 HE2 LYS 29 HE2 LYS 29 -7.624 -8.799 7.144
219 HE3 LYS 29 HE3 LYS 29 -7.088 -7.487 6.085
220 HZ1 LYS 29 HZ1 LYS 29 -5.935 -9.241 4.741
221 HZ2 LYS 29 HZ2 LYS 29 -7.521 -9.515 4.792
222 HZ3 LYS 29 HZ3 LYS 29 -6.539 -10.394 5.737
223 H VAL 30 H VAL 30 -4.460 -6.351 2.465
224 HA VAL 30 HA VAL 30 -2.829 -8.126 0.999
225 HB VAL 30 HB VAL 30 -4.666 -5.843 0.146
226 HG11 VAL 30 HG11 VAL 30 -3.301 -7.862 -1.695
227 HG12 VAL 30 HG12 VAL 30 -4.655 -6.822 -2.146
228 HG13 VAL 30 HG13 VAL 30 -3.099 -6.098 -1.735
229 HG21 VAL 30 HG21 VAL 30 -4.829 -8.876 0.065
230 HG22 VAL 30 HG22 VAL 30 -5.709 -7.803 1.183
231 HG23 VAL 30 HG23 VAL 30 -6.097 -7.764 -0.534
232 H PHE 31 H PHE 31 -2.720 -4.539 1.162
233 HA PHE 31 HA PHE 31 -0.406 -4.342 -0.499
234 HB2 PHE 31 HB2 PHE 31 -1.701 -2.515 1.530
235 HB3 PHE 31 HB3 PHE 31 -0.277 -2.054 0.616
236 HD1 PHE 31 HD1 PHE 31 -1.609 -3.752 -2.009
237 HD2 PHE 31 HD2 PHE 31 -2.687 -0.449 0.581
238 HE1 PHE 31 HE1 PHE 31 -2.880 -2.763 -3.821
239 HE2 PHE 31 HE2 PHE 31 -3.952 0.555 -1.302
240 HZ PHE 31 HZ PHE 31 -4.042 -0.602 -3.517
241 H LYS 32 H LYS 32 -0.646 -4.662 3.104
242 HA LYS 32 HA LYS 32 2.140 -4.243 3.559
243 HB2 LYS 32 HB2 LYS 32 -0.070 -5.623 5.063
244 HB3 LYS 32 HB3 LYS 32 1.559 -6.146 5.409
245 HG2 LYS 32 HG2 LYS 32 1.762 -3.323 5.381
246 HG3 LYS 32 HG3 LYS 32 0.239 -3.640 6.198
247 HD2 LYS 32 HD2 LYS 32 1.339 -5.039 7.837
248 HD3 LYS 32 HD3 LYS 32 2.846 -5.061 6.897
249 HE2 LYS 32 HE2 LYS 32 3.105 -2.638 7.138
250 HE3 LYS 32 HE3 LYS 32 1.648 -2.547 8.144
251 HZ1 LYS 32 HZ1 LYS 32 3.893 -4.298 8.903
252 HZ2 LYS 32 HZ2 LYS 32 2.767 -3.553 9.884
253 HZ3 LYS 32 HZ3 LYS 32 4.012 -2.723 9.149
254 H GLN 33 H GLN 33 0.394 -7.243 2.819
255 HA GLN 33 HA GLN 33 2.617 -8.925 2.843
256 HB2 GLN 33 HB2 GLN 33 0.102 -9.493 2.790
257 HB3 GLN 33 HB3 GLN 33 0.128 -9.086 1.078
258 HG2 GLN 33 HG2 GLN 33 0.362 -11.405 1.086
259 HG3 GLN 33 HG3 GLN 33 2.018 -10.831 0.855
260 HE21 GLN 33 HE21 GLN 33 3.521 -11.108 2.589
261 HE22 GLN 33 HE22 GLN 33 3.156 -12.066 4.031
262 H TYR 34 H TYR 34 1.113 -6.971 0.254
263 HA TYR 34 HA TYR 34 2.809 -7.933 -1.836
264 HB2 TYR 34 HB2 TYR 34 0.619 -6.723 -2.104
265 HB3 TYR 34 HB3 TYR 34 1.448 -5.221 -1.701
266 HD1 TYR 34 HD1 TYR 34 1.121 -7.958 -4.181
267 HD2 TYR 34 HD2 TYR 34 3.013 -4.178 -3.299
268 HE1 TYR 34 HE1 TYR 34 1.834 -7.770 -6.542
269 HE2 TYR 34 HE2 TYR 34 3.778 -4.014 -5.632
270 HH TYR 34 HH TYR 34 3.543 -4.873 -7.798
271 H ALA 35 H ALA 35 3.124 -5.096 0.260
272 HA ALA 35 HA ALA 35 5.474 -4.049 -1.033
273 HB1 ALA 35 HB1 ALA 35 4.540 -3.757 1.819
274 HB2 ALA 35 HB2 ALA 35 5.760 -2.731 1.045
275 HB3 ALA 35 HB3 ALA 35 4.095 -2.701 0.445
276 H ASN 36 H ASN 36 5.091 -6.054 1.878
277 HA ASN 36 HA ASN 36 7.845 -6.432 2.417
278 HB2 ASN 36 HB2 ASN 36 7.001 -7.445 4.191
279 HB3 ASN 36 HB3 ASN 36 5.394 -7.406 3.501
280 HD21 ASN 36 HD21 ASN 36 4.989 -9.292 1.791
281 HD22 ASN 36 HD22 ASN 36 5.647 -10.830 2.246
282 H ASP 37 H ASP 37 5.721 -8.043 0.061
283 HA ASP 37 HA ASP 37 7.499 -10.204 -0.569
284 HB2 ASP 37 HB2 ASP 37 5.067 -10.092 -1.185
285 HB3 ASP 37 HB3 ASP 37 5.457 -8.853 -2.371
286 H ASN 38 H ASN 38 7.122 -6.871 -1.730
287 HA ASN 38 HA ASN 38 9.229 -7.088 -3.773
288 HB2 ASN 38 HB2 ASN 38 7.709 -4.701 -2.617
289 HB3 ASN 38 HB3 ASN 38 8.985 -4.558 -3.812
290 HD21 ASN 38 HD21 ASN 38 5.747 -5.992 -3.287
291 HD22 ASN 38 HD22 ASN 38 5.280 -5.885 -4.941
292 H GLY 39 H GLY 39 9.258 -6.974 -0.396
293 HA2 GLY 39 HA2 GLY 39 10.962 -6.774 1.120
294 HA3 GLY 39 HA3 GLY 39 12.090 -6.402 -0.208
295 H VAL 40 H VAL 40 9.034 -4.651 0.490
296 HA VAL 40 HA VAL 40 10.595 -2.233 1.257
297 HB VAL 40 HB VAL 40 7.763 -2.455 0.183
298 HG11 VAL 40 HG11 VAL 40 7.929 -0.023 -0.112
299 HG12 VAL 40 HG12 VAL 40 8.108 -0.488 1.569
300 HG13 VAL 40 HG13 VAL 40 9.551 -0.040 0.635
301 HG21 VAL 40 HG21 VAL 40 9.332 -3.134 -1.591
302 HG22 VAL 40 HG22 VAL 40 8.556 -1.601 -1.952
303 HG23 VAL 40 HG23 VAL 40 10.243 -1.607 -1.376
304 H ASP 41 H ASP 41 10.406 -1.708 3.345
305 HA ASP 41 HA ASP 41 7.845 -2.042 4.691
306 HB2 ASP 41 HB2 ASP 41 8.889 -4.217 5.130
307 HB3 ASP 41 HB3 ASP 41 10.323 -3.400 5.768
308 H GLY 42 H GLY 42 7.621 0.028 5.165
309 HA2 GLY 42 HA2 GLY 42 9.678 1.457 6.715
310 HA3 GLY 42 HA3 GLY 42 9.044 2.145 5.200
311 H GLU 43 H GLU 43 8.305 3.872 6.453
312 HA GLU 43 HA GLU 43 6.229 3.490 8.460
313 HB2 GLU 43 HB2 GLU 43 7.721 5.488 8.535
314 HB3 GLU 43 HB3 GLU 43 7.008 6.071 7.013
315 HG2 GLU 43 HG2 GLU 43 4.722 5.986 8.161
316 HG3 GLU 43 HG3 GLU 43 5.554 5.566 9.652
317 H TRP 44 H TRP 44 4.276 2.830 7.933
318 HA TRP 44 HA TRP 44 3.175 3.212 5.252
319 HB2 TRP 44 HB2 TRP 44 2.127 1.834 7.742
320 HB3 TRP 44 HB3 TRP 44 1.249 1.935 6.215
321 HD1 TRP 44 HD1 TRP 44 4.601 0.457 7.521
322 HE1 TRP 44 HE1 TRP 44 5.334 -1.439 6.074
323 HE3 TRP 44 HE3 TRP 44 0.848 0.667 4.043
324 HZ2 TRP 44 HZ2 TRP 44 4.391 -2.804 3.730
325 HZ3 TRP 44 HZ3 TRP 44 0.847 -0.932 2.154
326 HH2 TRP 44 HH2 TRP 44 2.554 -2.674 1.989
327 H THR 45 H THR 45 1.743 4.728 4.735
328 HA THR 45 HA THR 45 0.338 6.378 6.761
329 HB THR 45 HB THR 45 0.679 8.261 5.194
330 HG1 THR 45 HG1 THR 45 2.352 6.565 3.707
331 HG21 THR 45 HG21 THR 45 3.079 8.575 5.306
332 HG22 THR 45 HG22 THR 45 3.362 6.833 5.471
333 HG23 THR 45 HG23 THR 45 2.595 7.742 6.802
334 H TYR 46 H TYR 46 -1.665 7.547 5.580
335 HA TYR 46 HA TYR 46 -2.821 5.939 3.412
336 HB2 TYR 46 HB2 TYR 46 -3.534 4.800 5.476
337 HB3 TYR 46 HB3 TYR 46 -4.079 6.324 6.156
338 HD1 TYR 46 HD1 TYR 46 -4.607 4.279 3.027
339 HD2 TYR 46 HD2 TYR 46 -6.400 6.709 6.098
340 HE1 TYR 46 HE1 TYR 46 -6.825 3.883 2.024
341 HE2 TYR 46 HE2 TYR 46 -8.643 6.263 5.138
342 HH TYR 46 HH TYR 46 -9.759 5.537 3.220
343 H ASP 47 H ASP 47 -4.410 7.097 2.297
344 HA ASP 47 HA ASP 47 -4.991 9.905 3.022
345 HB2 ASP 47 HB2 ASP 47 -3.868 8.949 0.352
346 HB3 ASP 47 HB3 ASP 47 -4.960 10.299 0.457
347 H ASP 48 H ASP 48 -7.035 9.247 3.634
348 HA ASP 48 HA ASP 48 -8.705 7.382 2.264
349 HB2 ASP 48 HB2 ASP 48 -8.914 8.424 4.632
350 HB3 ASP 48 HB3 ASP 48 -9.671 9.784 3.854
351 H ALA 49 H ALA 49 -8.074 10.711 1.907
352 HA ALA 49 HA ALA 49 -10.139 11.815 0.423
353 HB1 ALA 49 HB1 ALA 49 -8.082 13.001 1.218
354 HB2 ALA 49 HB2 ALA 49 -7.157 12.250 -0.092
355 HB3 ALA 49 HB3 ALA 49 -8.479 13.383 -0.463
356 H THR 50 H THR 50 -7.618 9.596 -0.773
357 HA THR 50 HA THR 50 -9.153 9.333 -3.292
358 HB THR 50 HB THR 50 -7.314 11.051 -3.493
359 HG1 THR 50 HG1 THR 50 -6.491 9.892 -5.481
360 HG21 THR 50 HG21 THR 50 -5.021 10.310 -3.749
361 HG22 THR 50 HG22 THR 50 -5.511 8.629 -3.434
362 HG23 THR 50 HG23 THR 50 -5.612 9.827 -2.145
363 H LYS 51 H LYS 51 -8.446 7.864 -0.659
364 HA LYS 51 HA LYS 51 -8.014 5.876 0.160
365 HB2 LYS 51 HB2 LYS 51 -9.269 4.871 -2.424
366 HB3 LYS 51 HB3 LYS 51 -9.116 3.973 -0.909
367 HG2 LYS 51 HG2 LYS 51 -10.536 5.718 0.228
368 HG3 LYS 51 HG3 LYS 51 -10.765 6.487 -1.361
369 HD2 LYS 51 HD2 LYS 51 -11.743 4.359 -2.227
370 HD3 LYS 51 HD3 LYS 51 -11.556 3.645 -0.629
371 HE2 LYS 51 HE2 LYS 51 -13.807 4.240 -0.789
372 HE3 LYS 51 HE3 LYS 51 -13.062 5.413 0.311
373 HZ1 LYS 51 HZ1 LYS 51 -14.552 6.408 -1.333
374 HZ2 LYS 51 HZ2 LYS 51 -13.589 5.872 -2.550
375 HZ3 LYS 51 HZ3 LYS 51 -13.026 6.999 -1.437
376 H THR 52 H THR 52 -5.705 6.654 -0.264
377 HA THR 52 HA THR 52 -4.286 4.455 -1.679
378 HB THR 52 HB THR 52 -3.704 7.438 -1.622
379 HG1 THR 52 HG1 THR 52 -4.060 7.103 -3.885
380 HG21 THR 52 HG21 THR 52 -2.060 5.215 -2.919
381 HG22 THR 52 HG22 THR 52 -1.518 6.324 -1.638
382 HG23 THR 52 HG23 THR 52 -1.889 6.957 -3.239
383 H PHE 53 H PHE 53 -2.241 3.868 -0.837
384 HA PHE 53 HA PHE 53 -1.657 4.626 1.993
385 HB2 PHE 53 HB2 PHE 53 -1.611 1.952 0.525
386 HB3 PHE 53 HB3 PHE 53 -0.747 2.205 2.011
387 HD1 PHE 53 HD2 PHE 53 -1.919 2.517 4.168
388 HD2 PHE 53 HD1 PHE 53 -4.001 1.793 0.494
389 HE1 PHE 53 HE2 PHE 53 -3.899 1.748 5.469
390 HE2 PHE 53 HE1 PHE 53 -6.005 0.970 1.792
391 HZ PHE 53 HZ PHE 53 -5.930 0.943 4.280
392 H THR 54 H THR 54 0.667 4.915 2.388
393 HA THR 54 HA THR 54 2.385 4.440 0.040
394 HB THR 54 HB THR 54 2.489 7.036 1.601
395 HG1 THR 54 HG1 THR 54 0.597 6.862 0.418
396 HG21 THR 54 HG21 THR 54 4.600 6.447 0.661
397 HG22 THR 54 HG22 THR 54 3.878 7.736 -0.326
398 HG23 THR 54 HG23 THR 54 3.896 6.065 -0.900
399 H VAL 55 H VAL 55 4.225 3.390 0.675
400 HA VAL 55 HA VAL 55 4.775 3.265 3.611
401 HB VAL 55 HB VAL 55 4.003 1.147 2.904
402 HG11 VAL 55 HG11 VAL 55 5.021 -0.251 1.260
403 HG12 VAL 55 HG12 VAL 55 4.433 1.239 0.482
404 HG13 VAL 55 HG13 VAL 55 6.168 1.024 0.808
405 HG21 VAL 55 HG21 VAL 55 5.954 -0.250 3.507
406 HG22 VAL 55 HG22 VAL 55 7.036 1.119 3.209
407 HG23 VAL 55 HG23 VAL 55 5.842 1.199 4.527
408 H THR 56 H THR 56 6.425 4.527 4.086
409 HA THR 56 HA THR 56 8.394 5.129 1.966
410 HB THR 56 HB THR 56 8.503 6.654 4.481
411 HG1 THR 56 HG1 THR 56 6.315 6.632 4.342
412 HG21 THR 56 HG21 THR 56 9.858 7.075 2.423
413 HG22 THR 56 HG22 THR 56 8.861 8.470 2.912
414 HG23 THR 56 HG23 THR 56 8.366 7.457 1.548
415 H GLU 57 H GLU 57 9.892 3.491 2.075
416 HA GLU 57 HA GLU 57 10.884 2.110 4.419
417 HB2 GLU 57 HB2 GLU 57 10.926 1.518 1.835
418 HB3 GLU 57 HB3 GLU 57 12.411 2.478 1.898
419 HG2 GLU 57 HG2 GLU 57 12.952 0.765 3.855
420 HG3 GLU 57 HG3 GLU 57 11.831 -0.217 2.895
Start of MODEL 2
1 H1 MET 1 H MET 1 -16.422 0.039 1.039
2 HA MET 1 HA MET 1 -14.264 -1.710 0.102
3 HB2 MET 1 HB2 MET 1 -16.534 -2.725 0.378
4 HB3 MET 1 HB3 MET 1 -17.165 -1.619 -0.839
5 HG2 MET 1 HG2 MET 1 -16.007 -2.716 -2.613
6 HG3 MET 1 HG3 MET 1 -14.789 -3.327 -1.532
7 HE1 MET 1 HE1 MET 1 -14.743 -5.512 -2.849
8 HE2 MET 1 HE2 MET 1 -16.181 -6.520 -3.129
9 HE3 MET 1 HE3 MET 1 -16.070 -4.914 -3.874
10 H GLY 2 H GLY 2 -13.803 -1.688 -2.268
11 HA2 GLY 2 HA2 GLY 2 -14.344 -0.378 -4.343
12 HA3 GLY 2 HA3 GLY 2 -13.968 1.049 -3.386
13 H THR 3 H THR 3 -12.389 1.248 -5.230
14 HA THR 3 HA THR 3 -10.118 -0.547 -5.284
15 HB THR 3 HB THR 3 -10.483 2.196 -6.552
16 HG1 THR 3 HG1 THR 3 -11.372 1.158 -8.234
17 HG21 THR 3 HG21 THR 3 -8.773 -0.210 -7.361
18 HG22 THR 3 HG22 THR 3 -8.160 1.322 -6.698
19 HG23 THR 3 HG23 THR 3 -8.944 1.299 -8.284
20 H TYR 4 H TYR 4 -8.223 -0.312 -4.307
21 HA TYR 4 HA TYR 4 -7.595 2.110 -2.726
22 HB2 TYR 4 HB2 TYR 4 -7.180 -0.848 -2.134
23 HB3 TYR 4 HB3 TYR 4 -6.328 0.431 -1.291
24 HD1 TYR 4 HD1 TYR 4 -7.479 2.064 0.128
25 HD2 TYR 4 HD2 TYR 4 -9.557 -1.243 -1.669
26 HE1 TYR 4 HE1 TYR 4 -9.314 2.358 1.765
27 HE2 TYR 4 HE2 TYR 4 -11.419 -0.945 -0.072
28 HH TYR 4 HH TYR 4 -11.483 1.699 2.333
29 H LYS 5 H LYS 5 -5.301 2.553 -2.671
30 HA LYS 5 HA LYS 5 -3.670 1.287 -4.824
31 HB2 LYS 5 HB2 LYS 5 -4.664 3.429 -5.601
32 HB3 LYS 5 HB3 LYS 5 -3.964 4.246 -4.211
33 HG2 LYS 5 HG2 LYS 5 -1.652 3.602 -5.059
34 HG3 LYS 5 HG3 LYS 5 -2.431 2.882 -6.469
35 HD2 LYS 5 HD2 LYS 5 -3.445 5.188 -6.889
36 HD3 LYS 5 HD3 LYS 5 -2.368 5.769 -5.577
37 HE2 LYS 5 HE2 LYS 5 -0.402 4.945 -6.771
38 HE3 LYS 5 HE3 LYS 5 -1.418 4.238 -8.034
39 HZ1 LYS 5 HZ1 LYS 5 -2.147 6.492 -8.573
40 HZ2 LYS 5 HZ2 LYS 5 -0.516 6.276 -8.751
41 HZ3 LYS 5 HZ3 LYS 5 -1.078 7.107 -7.459
42 H LEU 6 H LEU 6 -1.455 1.225 -4.497
43 HA LEU 6 HA LEU 6 -0.481 2.033 -1.780
44 HB2 LEU 6 HB2 LEU 6 -0.739 -0.366 -1.845
45 HB3 LEU 6 HB3 LEU 6 0.091 -0.463 -3.391
46 HG LEU 6 HG LEU 6 2.207 0.328 -2.260
47 HD11 LEU 6 HD11 LEU 6 2.224 0.192 0.272
48 HD12 LEU 6 HD12 LEU 6 0.445 0.199 0.212
49 HD13 LEU 6 HD13 LEU 6 1.372 1.586 -0.383
50 HD21 LEU 6 HD21 LEU 6 2.066 -1.974 -2.599
51 HD22 LEU 6 HD22 LEU 6 0.799 -2.205 -1.392
52 HD23 LEU 6 HD23 LEU 6 2.445 -1.838 -0.879
53 H ILE 7 H ILE 7 1.287 3.226 -1.842
54 HA ILE 7 HA ILE 7 2.886 3.508 -4.336
55 HB ILE 7 HB ILE 7 2.452 5.560 -2.138
56 HG12 ILE 7 HG12 ILE 7 1.175 5.337 -4.885
57 HG13 ILE 7 HG13 ILE 7 0.383 5.320 -3.322
58 HG21 ILE 7 HG21 ILE 7 3.711 7.077 -3.568
59 HG22 ILE 7 HG22 ILE 7 4.680 5.639 -3.323
60 HG23 ILE 7 HG23 ILE 7 3.809 5.852 -4.858
61 HD11 ILE 7 HD11 ILE 7 1.772 7.721 -4.563
62 HD12 ILE 7 HD12 ILE 7 0.039 7.479 -4.386
63 HD13 ILE 7 HD13 ILE 7 1.049 7.683 -2.938
64 H LEU 8 H LEU 8 4.651 2.313 -4.076
65 HA LEU 8 HA LEU 8 5.761 1.698 -1.412
66 HB2 LEU 8 HB2 LEU 8 6.528 0.801 -4.217
67 HB3 LEU 8 HB3 LEU 8 7.285 0.240 -2.738
68 HG LEU 8 HG LEU 8 4.342 -0.113 -3.385
69 HD11 LEU 8 HD11 LEU 8 6.607 -2.132 -3.762
70 HD12 LEU 8 HD12 LEU 8 5.756 -1.273 -5.064
71 HD13 LEU 8 HD13 LEU 8 4.877 -2.423 -4.058
72 HD21 LEU 8 HD21 LEU 8 6.133 -1.363 -1.275
73 HD22 LEU 8 HD22 LEU 8 4.549 -2.007 -1.727
74 HD23 LEU 8 HD23 LEU 8 4.666 -0.381 -1.053
75 H ASN 9 H ASN 9 7.005 3.318 -0.653
76 HA ASN 9 HA ASN 9 8.847 4.808 -2.514
77 HB2 ASN 9 HB2 ASN 9 7.449 5.615 0.030
78 HB3 ASN 9 HB3 ASN 9 9.082 6.204 -0.244
79 HD21 ASN 9 HD21 ASN 9 6.520 7.649 -0.139
80 HD22 ASN 9 HD22 ASN 9 6.456 8.525 -1.663
81 H GLY 10 H GLY 10 10.107 2.701 -2.455
82 HA2 GLY 10 HA2 GLY 10 11.365 2.195 0.143
83 HA3 GLY 10 HA3 GLY 10 11.523 1.199 -1.260
84 H LYS 11 H LYS 11 13.564 2.319 0.516
85 HA LYS 11 HA LYS 11 14.868 4.563 -0.835
86 HB2 LYS 11 HB2 LYS 11 16.098 2.588 1.143
87 HB3 LYS 11 HB3 LYS 11 16.678 4.207 0.760
88 HG2 LYS 11 HG2 LYS 11 14.165 3.430 2.272
89 HG3 LYS 11 HG3 LYS 11 15.573 4.246 2.910
90 HD2 LYS 11 HD2 LYS 11 13.715 5.487 0.816
91 HD3 LYS 11 HD3 LYS 11 13.550 5.727 2.547
92 HE2 LYS 11 HE2 LYS 11 15.704 6.746 2.755
93 HE3 LYS 11 HE3 LYS 11 16.141 6.325 1.089
94 HZ1 LYS 11 HZ1 LYS 11 15.445 8.633 1.354
95 HZ2 LYS 11 HZ2 LYS 11 13.926 8.157 1.777
96 HZ3 LYS 11 HZ3 LYS 11 14.512 7.818 0.278
97 H THR 12 H THR 12 14.665 1.237 -1.369
98 HA THR 12 HA THR 12 17.008 1.179 -3.158
99 HB THR 12 HB THR 12 16.255 -1.455 -2.805
100 HG1 THR 12 HG1 THR 12 15.174 -1.621 -0.952
101 HG21 THR 12 HG21 THR 12 18.023 0.253 -1.007
102 HG22 THR 12 HG22 THR 12 18.521 -0.488 -2.555
103 HG23 THR 12 HG23 THR 12 18.110 -1.514 -1.165
104 H LEU 13 H LEU 13 13.476 0.180 -2.970
105 HA LEU 13 HA LEU 13 13.414 0.542 -5.948
106 HB2 LEU 13 HB2 LEU 13 13.608 -1.861 -5.462
107 HB3 LEU 13 HB3 LEU 13 12.267 -1.749 -4.320
108 HG LEU 13 HG LEU 13 10.723 -1.167 -6.197
109 HD11 LEU 13 HD11 LEU 13 13.051 -1.807 -8.030
110 HD12 LEU 13 HD12 LEU 13 12.310 -0.205 -7.825
111 HD13 LEU 13 HD13 LEU 13 11.365 -1.530 -8.505
112 HD21 LEU 13 HD21 LEU 13 10.901 -3.446 -5.383
113 HD22 LEU 13 HD22 LEU 13 12.268 -3.765 -6.468
114 HD23 LEU 13 HD23 LEU 13 10.651 -3.433 -7.131
115 H LYS 14 H LYS 14 11.437 1.427 -6.728
116 HA LYS 14 HA LYS 14 9.335 1.995 -4.710
117 HB2 LYS 14 HB2 LYS 14 10.434 3.974 -6.757
118 HB3 LYS 14 HB3 LYS 14 9.001 4.208 -5.758
119 HG2 LYS 14 HG2 LYS 14 10.233 5.205 -4.249
120 HG3 LYS 14 HG3 LYS 14 10.965 3.649 -3.874
121 HD2 LYS 14 HD2 LYS 14 12.016 5.547 -5.996
122 HD3 LYS 14 HD3 LYS 14 12.542 5.591 -4.303
123 HE2 LYS 14 HE2 LYS 14 13.649 3.559 -4.404
124 HE3 LYS 14 HE3 LYS 14 12.764 3.018 -5.848
125 HZ1 LYS 14 HZ1 LYS 14 14.518 5.341 -6.040
126 HZ2 LYS 14 HZ2 LYS 14 13.965 4.341 -7.212
127 HZ3 LYS 14 HZ3 LYS 14 15.130 3.814 -6.196
128 H GLY 15 H GLY 15 7.187 2.053 -5.534
129 HA2 GLY 15 HA2 GLY 15 6.634 1.820 -8.362
130 HA3 GLY 15 HA3 GLY 15 6.512 0.269 -7.506
131 H GLU 16 H GLU 16 4.230 0.850 -8.586
132 HA GLU 16 HA GLU 16 2.516 1.719 -6.365
133 HB2 GLU 16 HB2 GLU 16 2.464 2.945 -9.151
134 HB3 GLU 16 HB3 GLU 16 1.034 2.922 -8.114
135 HG2 GLU 16 HG2 GLU 16 2.307 4.078 -6.345
136 HG3 GLU 16 HG3 GLU 16 3.667 4.295 -7.466
137 H THR 17 H THR 17 0.681 0.455 -6.174
138 HA THR 17 HA THR 17 -0.260 -1.146 -8.476
139 HB THR 17 HB THR 17 1.340 -2.538 -7.128
140 HG1 THR 17 HG1 THR 17 -0.159 -3.513 -8.349
141 HG21 THR 17 HG21 THR 17 -0.746 -2.282 -4.918
142 HG22 THR 17 HG22 THR 17 1.001 -1.927 -4.837
143 HG23 THR 17 HG23 THR 17 0.433 -3.588 -4.996
144 H THR 18 H THR 18 -2.548 -2.115 -7.948
145 HA THR 18 HA THR 18 -3.998 -0.588 -5.919
146 HB THR 18 HB THR 18 -5.830 -0.115 -7.590
147 HG1 THR 18 HG1 THR 18 -5.565 -0.351 -9.654
148 HG21 THR 18 HG21 THR 18 -4.384 1.710 -6.981
149 HG22 THR 18 HG22 THR 18 -4.821 1.835 -8.684
150 HG23 THR 18 HG23 THR 18 -3.202 1.261 -8.233
151 H THR 19 H THR 19 -5.933 -1.689 -5.250
152 HA THR 19 HA THR 19 -6.750 -4.136 -6.587
153 HB THR 19 HB THR 19 -4.884 -4.867 -5.142
154 HG1 THR 19 HG1 THR 19 -6.758 -6.112 -3.753
155 HG21 THR 19 HG21 THR 19 -5.048 -4.858 -2.725
156 HG22 THR 19 HG22 THR 19 -6.650 -4.083 -2.783
157 HG23 THR 19 HG23 THR 19 -5.223 -3.201 -3.305
158 H GLU 20 H GLU 20 -8.950 -4.846 -5.794
159 HA GLU 20 HA GLU 20 -10.444 -2.552 -4.638
160 HB2 GLU 20 HB2 GLU 20 -11.356 -5.047 -6.105
161 HB3 GLU 20 HB3 GLU 20 -12.448 -3.856 -5.359
162 HG2 GLU 20 HG2 GLU 20 -11.844 -2.150 -6.903
163 HG3 GLU 20 HG3 GLU 20 -10.400 -3.019 -7.454
164 H ALA 21 H ALA 21 -10.740 -2.721 -2.453
165 HA ALA 21 HA ALA 21 -10.800 -5.462 -1.238
166 HB1 ALA 21 HB1 ALA 21 -8.708 -4.117 -0.753
167 HB2 ALA 21 HB2 ALA 21 -9.766 -2.923 0.042
168 HB3 ALA 21 HB3 ALA 21 -9.665 -4.559 0.681
169 H VAL 22 H VAL 22 -12.137 -5.709 0.566
170 HA VAL 22 HA VAL 22 -14.659 -4.387 0.408
171 HB VAL 22 HB VAL 22 -14.338 -6.717 0.983
172 HG11 VAL 22 HG11 VAL 22 -13.424 -5.828 3.742
173 HG12 VAL 22 HG12 VAL 22 -13.652 -7.481 3.163
174 HG13 VAL 22 HG13 VAL 22 -12.374 -6.500 2.474
175 HG21 VAL 22 HG21 VAL 22 -16.083 -6.902 2.671
176 HG22 VAL 22 HG22 VAL 22 -15.806 -5.222 3.185
177 HG23 VAL 22 HG23 VAL 22 -16.447 -5.562 1.570
178 H ASP 23 H ASP 23 -11.915 -4.068 2.671
179 HA ASP 23 HA ASP 23 -12.950 -1.434 3.491
180 HB2 ASP 23 HB2 ASP 23 -12.745 -3.843 5.311
181 HB3 ASP 23 HB3 ASP 23 -12.214 -2.271 5.924
182 H ALA 24 H ALA 24 -11.285 -0.259 4.720
183 HA ALA 24 HA ALA 24 -8.809 -0.341 3.338
184 HB1 ALA 24 HB1 ALA 24 -9.591 1.022 5.937
185 HB2 ALA 24 HB2 ALA 24 -8.086 1.338 5.042
186 HB3 ALA 24 HB3 ALA 24 -9.645 1.708 4.296
187 H ALA 25 H ALA 25 -9.854 -1.940 6.314
188 HA ALA 25 HA ALA 25 -7.236 -2.551 7.346
189 HB1 ALA 25 HB1 ALA 25 -9.822 -4.131 7.644
190 HB2 ALA 25 HB2 ALA 25 -8.366 -4.243 8.672
191 HB3 ALA 25 HB3 ALA 25 -9.338 -2.760 8.667
192 H THR 26 H THR 26 -9.488 -4.358 5.189
193 HA THR 26 HA THR 26 -7.889 -6.633 4.697
194 HB THR 26 HB THR 26 -9.757 -5.481 2.651
195 HG1 THR 26 HG1 THR 26 -10.822 -6.522 5.060
196 HG21 THR 26 HG21 THR 26 -9.857 -8.217 3.927
197 HG22 THR 26 HG22 THR 26 -8.755 -7.854 2.598
198 HG23 THR 26 HG23 THR 26 -10.503 -7.719 2.366
199 H ALA 27 H ALA 27 -8.217 -3.437 3.086
200 HA ALA 27 HA ALA 27 -6.537 -4.021 0.889
201 HB1 ALA 27 HB1 ALA 27 -8.068 -2.015 1.061
202 HB2 ALA 27 HB2 ALA 27 -7.004 -1.325 2.280
203 HB3 ALA 27 HB3 ALA 27 -6.420 -1.557 0.629
204 H GLU 28 H GLU 28 -5.853 -2.414 4.020
205 HA GLU 28 HA GLU 28 -3.121 -1.944 3.811
206 HB2 GLU 28 HB2 GLU 28 -4.455 -0.939 5.493
207 HB3 GLU 28 HB3 GLU 28 -5.083 -2.480 6.056
208 HG2 GLU 28 HG2 GLU 28 -3.032 -3.063 7.112
209 HG3 GLU 28 HG3 GLU 28 -2.236 -1.620 6.461
210 H LYS 29 H LYS 29 -4.807 -4.929 4.873
211 HA LYS 29 HA LYS 29 -2.405 -6.359 5.556
212 HB2 LYS 29 HB2 LYS 29 -5.265 -7.202 4.844
213 HB3 LYS 29 HB3 LYS 29 -4.002 -8.388 5.211
214 HG2 LYS 29 HG2 LYS 29 -3.615 -7.456 7.381
215 HG3 LYS 29 HG3 LYS 29 -4.708 -6.099 7.088
216 HD2 LYS 29 HD2 LYS 29 -5.815 -8.887 6.865
217 HD3 LYS 29 HD3 LYS 29 -5.456 -8.230 8.477
218 HE2 LYS 29 HE2 LYS 29 -6.898 -6.348 8.151
219 HE3 LYS 29 HE3 LYS 29 -7.198 -6.798 6.465
220 HZ1 LYS 29 HZ1 LYS 29 -7.920 -8.482 8.774
221 HZ2 LYS 29 HZ2 LYS 29 -8.346 -8.761 7.214
222 HZ3 LYS 29 HZ3 LYS 29 -8.970 -7.470 8.051
223 H VAL 30 H VAL 30 -4.395 -6.337 2.551
224 HA VAL 30 HA VAL 30 -2.725 -8.228 1.191
225 HB VAL 30 HB VAL 30 -4.708 -6.125 0.250
226 HG11 VAL 30 HG11 VAL 30 -4.611 -7.176 -2.011
227 HG12 VAL 30 HG12 VAL 30 -3.135 -6.291 -1.615
228 HG13 VAL 30 HG13 VAL 30 -3.153 -8.065 -1.514
229 HG21 VAL 30 HG21 VAL 30 -5.974 -8.188 -0.320
230 HG22 VAL 30 HG22 VAL 30 -4.629 -9.178 0.279
231 HG23 VAL 30 HG23 VAL 30 -5.555 -8.145 1.397
232 H PHE 31 H PHE 31 -2.720 -4.621 1.129
233 HA PHE 31 HA PHE 31 -0.423 -4.448 -0.500
234 HB2 PHE 31 HB2 PHE 31 -1.588 -2.567 1.575
235 HB3 PHE 31 HB3 PHE 31 -0.187 -2.161 0.593
236 HD1 PHE 31 HD1 PHE 31 -1.335 -3.611 -2.072
237 HD2 PHE 31 HD2 PHE 31 -2.798 -0.690 0.742
238 HE1 PHE 31 HE1 PHE 31 -2.721 -2.659 -3.821
239 HE2 PHE 31 HE2 PHE 31 -4.155 0.342 -1.092
240 HZ PHE 31 HZ PHE 31 -4.130 -0.680 -3.368
241 H LYS 32 H LYS 32 -0.621 -4.826 3.065
242 HA LYS 32 HA LYS 32 2.187 -4.426 3.504
243 HB2 LYS 32 HB2 LYS 32 -0.014 -5.888 4.985
244 HB3 LYS 32 HB3 LYS 32 1.656 -6.320 5.349
245 HG2 LYS 32 HG2 LYS 32 1.694 -3.499 5.292
246 HG3 LYS 32 HG3 LYS 32 0.172 -3.898 6.109
247 HD2 LYS 32 HD2 LYS 32 1.392 -5.284 7.731
248 HD3 LYS 32 HD3 LYS 32 2.874 -5.097 6.789
249 HE2 LYS 32 HE2 LYS 32 2.253 -2.472 7.141
250 HE3 LYS 32 HE3 LYS 32 1.544 -3.123 8.629
251 HZ1 LYS 32 HZ1 LYS 32 3.839 -4.069 9.065
252 HZ2 LYS 32 HZ2 LYS 32 3.845 -2.428 8.903
253 HZ3 LYS 32 HZ3 LYS 32 4.331 -3.404 7.689
254 H GLN 33 H GLN 33 0.398 -7.380 2.677
255 HA GLN 33 HA GLN 33 2.628 -9.095 2.675
256 HB2 GLN 33 HB2 GLN 33 0.361 -9.960 2.758
257 HB3 GLN 33 HB3 GLN 33 -0.073 -9.135 1.265
258 HG2 GLN 33 HG2 GLN 33 0.156 -11.376 0.669
259 HG3 GLN 33 HG3 GLN 33 1.595 -10.571 0.053
260 HE21 GLN 33 HE21 GLN 33 3.610 -10.882 1.195
261 HE22 GLN 33 HE22 GLN 33 3.857 -12.437 1.985
262 H TYR 34 H TYR 34 1.185 -6.988 0.150
263 HA TYR 34 HA TYR 34 2.916 -7.903 -1.943
264 HB2 TYR 34 HB2 TYR 34 0.668 -6.672 -2.097
265 HB3 TYR 34 HB3 TYR 34 1.568 -5.187 -1.793
266 HD1 TYR 34 HD1 TYR 34 1.264 -8.120 -4.063
267 HD2 TYR 34 HD2 TYR 34 2.802 -4.124 -3.596
268 HE1 TYR 34 HE1 TYR 34 1.887 -8.090 -6.458
269 HE2 TYR 34 HE2 TYR 34 3.360 -4.056 -5.996
270 HH TYR 34 HH TYR 34 3.242 -6.938 -8.019
271 H ALA 35 H ALA 35 3.124 -5.036 0.248
272 HA ALA 35 HA ALA 35 5.457 -3.938 -0.967
273 HB1 ALA 35 HB1 ALA 35 5.694 -2.730 1.181
274 HB2 ALA 35 HB2 ALA 35 4.032 -2.688 0.570
275 HB3 ALA 35 HB3 ALA 35 4.481 -3.810 1.894
276 H ASN 36 H ASN 36 5.055 -6.241 1.807
277 HA ASN 36 HA ASN 36 7.855 -6.526 2.217
278 HB2 ASN 36 HB2 ASN 36 7.061 -7.611 3.992
279 HB3 ASN 36 HB3 ASN 36 5.459 -7.761 3.303
280 HD21 ASN 36 HD21 ASN 36 5.171 -9.521 1.670
281 HD22 ASN 36 HD22 ASN 36 6.117 -10.961 1.734
282 H ASP 37 H ASP 37 5.654 -8.022 -0.167
283 HA ASP 37 HA ASP 37 7.388 -10.136 -0.961
284 HB2 ASP 37 HB2 ASP 37 4.920 -9.909 -1.535
285 HB3 ASP 37 HB3 ASP 37 5.386 -8.713 -2.755
286 H ASN 38 H ASN 38 7.331 -6.721 -1.675
287 HA ASN 38 HA ASN 38 9.467 -6.951 -3.737
288 HB2 ASN 38 HB2 ASN 38 7.912 -4.547 -2.696
289 HB3 ASN 38 HB3 ASN 38 9.169 -4.488 -3.929
290 HD21 ASN 38 HD21 ASN 38 5.883 -5.645 -3.232
291 HD22 ASN 38 HD22 ASN 38 5.388 -5.746 -4.871
292 H GLY 39 H GLY 39 9.340 -6.957 -0.403
293 HA2 GLY 39 HA2 GLY 39 10.944 -6.807 1.181
294 HA3 GLY 39 HA3 GLY 39 12.125 -6.286 -0.028
295 H VAL 40 H VAL 40 9.018 -4.606 0.517
296 HA VAL 40 HA VAL 40 10.483 -2.224 1.477
297 HB VAL 40 HB VAL 40 7.703 -2.487 0.303
298 HG11 VAL 40 HG11 VAL 40 9.481 -0.058 0.735
299 HG12 VAL 40 HG12 VAL 40 7.906 -0.039 -0.072
300 HG13 VAL 40 HG13 VAL 40 8.003 -0.463 1.648
301 HG21 VAL 40 HG21 VAL 40 8.553 -1.587 -1.793
302 HG22 VAL 40 HG22 VAL 40 10.221 -1.640 -1.170
303 HG23 VAL 40 HG23 VAL 40 9.300 -3.141 -1.440
304 H ASP 41 H ASP 41 10.292 -1.874 3.632
305 HA ASP 41 HA ASP 41 7.710 -2.236 4.963
306 HB2 ASP 41 HB2 ASP 41 8.721 -4.378 5.401
307 HB3 ASP 41 HB3 ASP 41 10.245 -3.612 5.885
308 H GLY 42 H GLY 42 7.512 -0.139 5.345
309 HA2 GLY 42 HA2 GLY 42 9.551 1.231 7.011
310 HA3 GLY 42 HA3 GLY 42 8.955 1.975 5.520
311 H GLU 43 H GLU 43 8.121 3.730 6.528
312 HA GLU 43 HA GLU 43 6.069 3.413 8.595
313 HB2 GLU 43 HB2 GLU 43 7.786 5.248 8.713
314 HB3 GLU 43 HB3 GLU 43 7.028 5.958 7.288
315 HG2 GLU 43 HG2 GLU 43 4.789 5.578 8.818
316 HG3 GLU 43 HG3 GLU 43 5.991 5.572 10.098
317 H TRP 44 H TRP 44 4.052 2.889 7.944
318 HA TRP 44 HA TRP 44 3.149 3.429 5.216
319 HB2 TRP 44 HB2 TRP 44 1.891 1.963 7.571
320 HB3 TRP 44 HB3 TRP 44 1.171 2.130 5.971
321 HD1 TRP 44 HD1 TRP 44 4.421 0.627 7.487
322 HE1 TRP 44 HE1 TRP 44 5.133 -1.424 6.073
323 HE3 TRP 44 HE3 TRP 44 0.837 0.880 3.883
324 HZ2 TRP 44 HZ2 TRP 44 4.181 -2.813 3.824
325 HZ3 TRP 44 HZ3 TRP 44 0.724 -0.912 2.127
326 HH2 TRP 44 HH2 TRP 44 2.383 -2.704 2.067
327 H THR 45 H THR 45 1.719 4.986 4.644
328 HA THR 45 HA THR 45 0.267 6.583 6.707
329 HB THR 45 HB THR 45 0.639 8.517 5.272
330 HG1 THR 45 HG1 THR 45 2.161 8.151 3.471
331 HG21 THR 45 HG21 THR 45 3.025 8.820 5.460
332 HG22 THR 45 HG22 THR 45 3.289 7.064 5.538
333 HG23 THR 45 HG23 THR 45 2.475 7.909 6.879
334 H TYR 46 H TYR 46 -1.758 7.759 5.597
335 HA TYR 46 HA TYR 46 -2.951 6.144 3.440
336 HB2 TYR 46 HB2 TYR 46 -3.601 4.938 5.459
337 HB3 TYR 46 HB3 TYR 46 -4.110 6.426 6.222
338 HD1 TYR 46 HD1 TYR 46 -4.827 4.761 2.936
339 HD2 TYR 46 HD2 TYR 46 -6.410 6.609 6.489
340 HE1 TYR 46 HE1 TYR 46 -7.155 4.479 2.058
341 HE2 TYR 46 HE2 TYR 46 -8.712 6.254 5.665
342 HH TYR 46 HH TYR 46 -9.955 5.843 3.767
343 H ASP 47 H ASP 47 -3.801 7.466 2.054
344 HA ASP 47 HA ASP 47 -4.766 10.192 2.718
345 HB2 ASP 47 HB2 ASP 47 -3.731 8.900 0.129
346 HB3 ASP 47 HB3 ASP 47 -4.508 10.492 0.225
347 H ASP 48 H ASP 48 -6.742 9.339 3.492
348 HA ASP 48 HA ASP 48 -8.433 7.459 2.298
349 HB2 ASP 48 HB2 ASP 48 -8.640 8.657 4.530
350 HB3 ASP 48 HB3 ASP 48 -9.347 10.018 3.690
351 H ALA 49 H ALA 49 -8.079 10.810 1.633
352 HA ALA 49 HA ALA 49 -10.328 11.375 -0.008
353 HB1 ALA 49 HB1 ALA 49 -7.485 12.433 -0.304
354 HB2 ALA 49 HB2 ALA 49 -8.913 13.122 -1.109
355 HB3 ALA 49 HB3 ALA 49 -8.805 13.147 0.660
356 H THR 50 H THR 50 -7.295 9.790 -0.980
357 HA THR 50 HA THR 50 -8.442 9.260 -3.658
358 HB THR 50 HB THR 50 -6.603 10.737 -3.777
359 HG1 THR 50 HG1 THR 50 -6.361 9.620 -5.457
360 HG21 THR 50 HG21 THR 50 -5.173 8.749 -2.011
361 HG22 THR 50 HG22 THR 50 -5.386 10.497 -1.816
362 HG23 THR 50 HG23 THR 50 -4.294 9.892 -3.050
363 H LYS 51 H LYS 51 -7.966 7.868 -0.772
364 HA LYS 51 HA LYS 51 -7.968 5.757 0.061
365 HB2 LYS 51 HB2 LYS 51 -9.065 4.848 -2.627
366 HB3 LYS 51 HB3 LYS 51 -9.116 3.979 -1.093
367 HG2 LYS 51 HG2 LYS 51 -10.455 5.953 -0.146
368 HG3 LYS 51 HG3 LYS 51 -10.540 6.582 -1.798
369 HD2 LYS 51 HD2 LYS 51 -12.544 5.416 -1.565
370 HD3 LYS 51 HD3 LYS 51 -11.523 4.280 -2.447
371 HE2 LYS 51 HE2 LYS 51 -11.113 2.965 -0.482
372 HE3 LYS 51 HE3 LYS 51 -11.713 4.244 0.595
373 HZ1 LYS 51 HZ1 LYS 51 -13.337 2.481 0.320
374 HZ2 LYS 51 HZ2 LYS 51 -13.411 2.803 -1.333
375 HZ3 LYS 51 HZ3 LYS 51 -13.913 3.898 -0.256
376 H THR 52 H THR 52 -5.632 6.659 -0.409
377 HA THR 52 HA THR 52 -4.169 4.421 -1.720
378 HB THR 52 HB THR 52 -3.483 7.371 -1.713
379 HG1 THR 52 HG1 THR 52 -4.409 7.527 -3.562
380 HG21 THR 52 HG21 THR 52 -2.118 5.002 -3.049
381 HG22 THR 52 HG22 THR 52 -1.437 6.143 -1.871
382 HG23 THR 52 HG23 THR 52 -1.839 6.705 -3.489
383 H PHE 53 H PHE 53 -2.302 3.735 -0.668
384 HA PHE 53 HA PHE 53 -1.670 4.925 2.008
385 HB2 PHE 53 HB2 PHE 53 -1.270 2.055 1.036
386 HB3 PHE 53 HB3 PHE 53 -0.683 2.696 2.556
387 HD1 PHE 53 HD2 PHE 53 -2.256 3.161 4.464
388 HD2 PHE 53 HD1 PHE 53 -3.511 1.360 0.779
389 HE1 PHE 53 HE2 PHE 53 -4.243 2.258 5.606
390 HE2 PHE 53 HE1 PHE 53 -5.519 0.405 1.926
391 HZ PHE 53 HZ PHE 53 -5.888 0.872 4.350
392 H THR 54 H THR 54 0.696 5.161 2.410
393 HA THR 54 HA THR 54 2.399 4.558 0.064
394 HB THR 54 HB THR 54 2.464 7.134 1.651
395 HG1 THR 54 HG1 THR 54 0.689 6.772 0.169
396 HG21 THR 54 HG21 THR 54 3.994 7.916 -0.132
397 HG22 THR 54 HG22 THR 54 4.074 6.258 -0.763
398 HG23 THR 54 HG23 THR 54 4.667 6.621 0.866
399 H VAL 55 H VAL 55 4.291 3.532 0.699
400 HA VAL 55 HA VAL 55 4.813 3.388 3.640
401 HB VAL 55 HB VAL 55 3.976 1.282 2.957
402 HG11 VAL 55 HG11 VAL 55 4.940 -0.169 1.296
403 HG12 VAL 55 HG12 VAL 55 4.403 1.332 0.520
404 HG13 VAL 55 HG13 VAL 55 6.135 1.060 0.842
405 HG21 VAL 55 HG21 VAL 55 7.016 1.143 3.226
406 HG22 VAL 55 HG22 VAL 55 5.842 1.279 4.559
407 HG23 VAL 55 HG23 VAL 55 5.891 -0.177 3.544
408 H THR 56 H THR 56 6.517 4.605 4.089
409 HA THR 56 HA THR 56 8.595 4.955 1.982
410 HB THR 56 HB THR 56 8.550 6.548 4.489
411 HG1 THR 56 HG1 THR 56 6.651 7.260 3.924
412 HG21 THR 56 HG21 THR 56 9.231 7.346 1.636
413 HG22 THR 56 HG22 THR 56 10.427 6.674 2.789
414 HG23 THR 56 HG23 THR 56 9.605 8.205 3.139
415 H GLU 57 H GLU 57 9.963 3.326 2.170
416 HA GLU 57 HA GLU 57 10.494 1.594 4.345
417 HB2 GLU 57 HB2 GLU 57 10.881 1.284 1.845
418 HB3 GLU 57 HB3 GLU 57 12.352 2.226 2.072
419 HG2 GLU 57 HG2 GLU 57 13.065 0.472 3.745
420 HG3 GLU 57 HG3 GLU 57 11.568 -0.405 3.335
Start of MODEL 3
1 H1 MET 1 H MET 1 -15.658 0.356 0.912
2 HA MET 1 HA MET 1 -13.879 -1.651 -0.243
3 HB2 MET 1 HB2 MET 1 -16.313 -2.364 0.054
4 HB3 MET 1 HB3 MET 1 -16.742 -1.175 -1.169
5 HG2 MET 1 HG2 MET 1 -15.487 -2.343 -2.859
6 HG3 MET 1 HG3 MET 1 -14.674 -3.319 -1.659
7 HE1 MET 1 HE1 MET 1 -16.190 -6.037 -3.645
8 HE2 MET 1 HE2 MET 1 -15.022 -4.710 -3.773
9 HE3 MET 1 HE3 MET 1 -14.964 -5.797 -2.378
10 H GLY 2 H GLY 2 -13.970 -1.383 -2.831
11 HA2 GLY 2 HA2 GLY 2 -14.178 0.193 -4.644
12 HA3 GLY 2 HA3 GLY 2 -13.650 1.486 -3.552
13 H THR 3 H THR 3 -12.179 1.370 -5.741
14 HA THR 3 HA THR 3 -9.975 -0.476 -5.568
15 HB THR 3 HB THR 3 -10.051 2.085 -7.177
16 HG1 THR 3 HG1 THR 3 -11.156 0.911 -8.776
17 HG21 THR 3 HG21 THR 3 -8.729 0.753 -8.773
18 HG22 THR 3 HG22 THR 3 -8.899 -0.686 -7.745
19 HG23 THR 3 HG23 THR 3 -7.973 0.722 -7.179
20 H TYR 4 H TYR 4 -8.407 -0.266 -4.168
21 HA TYR 4 HA TYR 4 -7.727 2.354 -2.931
22 HB2 TYR 4 HB2 TYR 4 -7.135 -0.538 -2.123
23 HB3 TYR 4 HB3 TYR 4 -6.489 0.899 -1.336
24 HD1 TYR 4 HD1 TYR 4 -7.834 2.304 0.106
25 HD2 TYR 4 HD2 TYR 4 -9.484 -1.280 -1.682
26 HE1 TYR 4 HE1 TYR 4 -9.871 2.483 1.553
27 HE2 TYR 4 HE2 TYR 4 -11.471 -1.061 -0.301
28 HH TYR 4 HH TYR 4 -11.979 1.422 2.181
29 H LYS 5 H LYS 5 -5.347 2.820 -2.895
30 HA LYS 5 HA LYS 5 -3.778 1.408 -4.994
31 HB2 LYS 5 HB2 LYS 5 -4.771 3.728 -5.653
32 HB3 LYS 5 HB3 LYS 5 -3.665 4.396 -4.469
33 HG2 LYS 5 HG2 LYS 5 -1.982 2.778 -5.991
34 HG3 LYS 5 HG3 LYS 5 -3.135 3.320 -7.184
35 HD2 LYS 5 HD2 LYS 5 -1.469 5.150 -5.417
36 HD3 LYS 5 HD3 LYS 5 -1.081 4.613 -7.048
37 HE2 LYS 5 HE2 LYS 5 -3.508 5.564 -7.592
38 HE3 LYS 5 HE3 LYS 5 -3.200 6.560 -6.157
39 HZ1 LYS 5 HZ1 LYS 5 -1.136 7.303 -7.269
40 HZ2 LYS 5 HZ2 LYS 5 -2.443 7.616 -8.228
41 HZ3 LYS 5 HZ3 LYS 5 -1.458 6.342 -8.547
42 H LEU 6 H LEU 6 -1.509 1.334 -4.629
43 HA LEU 6 HA LEU 6 -0.588 2.144 -1.892
44 HB2 LEU 6 HB2 LEU 6 -0.852 -0.343 -2.087
45 HB3 LEU 6 HB3 LEU 6 0.094 -0.290 -3.544
46 HG LEU 6 HG LEU 6 2.100 0.459 -2.270
47 HD11 LEU 6 HD11 LEU 6 0.301 0.189 0.168
48 HD12 LEU 6 HD12 LEU 6 1.100 1.654 -0.393
49 HD13 LEU 6 HD13 LEU 6 2.068 0.324 0.224
50 HD21 LEU 6 HD21 LEU 6 2.424 -1.676 -0.982
51 HD22 LEU 6 HD22 LEU 6 1.939 -1.865 -2.669
52 HD23 LEU 6 HD23 LEU 6 0.751 -2.100 -1.377
53 H ILE 7 H ILE 7 1.263 3.174 -1.846
54 HA ILE 7 HA ILE 7 2.846 3.463 -4.358
55 HB ILE 7 HB ILE 7 2.498 5.523 -2.175
56 HG12 ILE 7 HG12 ILE 7 1.381 5.447 -5.017
57 HG13 ILE 7 HG13 ILE 7 0.453 5.334 -3.528
58 HG21 ILE 7 HG21 ILE 7 3.928 5.728 -4.857
59 HG22 ILE 7 HG22 ILE 7 3.873 6.974 -3.587
60 HG23 ILE 7 HG23 ILE 7 4.748 5.488 -3.301
61 HD11 ILE 7 HD11 ILE 7 1.183 7.637 -2.914
62 HD12 ILE 7 HD12 ILE 7 1.986 7.778 -4.497
63 HD13 ILE 7 HD13 ILE 7 0.241 7.571 -4.418
64 H LEU 8 H LEU 8 4.564 2.295 -4.191
65 HA LEU 8 HA LEU 8 5.704 1.499 -1.582
66 HB2 LEU 8 HB2 LEU 8 6.269 0.712 -4.487
67 HB3 LEU 8 HB3 LEU 8 7.142 0.067 -3.135
68 HG LEU 8 HG LEU 8 4.113 -0.179 -3.279
69 HD11 LEU 8 HD11 LEU 8 6.036 -2.142 -4.561
70 HD12 LEU 8 HD12 LEU 8 4.957 -1.040 -5.438
71 HD13 LEU 8 HD13 LEU 8 4.282 -2.313 -4.412
72 HD21 LEU 8 HD21 LEU 8 6.291 -1.925 -2.050
73 HD22 LEU 8 HD22 LEU 8 4.535 -2.181 -1.950
74 HD23 LEU 8 HD23 LEU 8 5.274 -0.762 -1.178
75 H ASN 9 H ASN 9 7.037 3.143 -0.824
76 HA ASN 9 HA ASN 9 8.848 4.550 -2.777
77 HB2 ASN 9 HB2 ASN 9 7.508 5.452 -0.197
78 HB3 ASN 9 HB3 ASN 9 8.951 6.245 -0.811
79 HD21 ASN 9 HD21 ASN 9 6.522 7.493 -0.247
80 HD22 ASN 9 HD22 ASN 9 6.055 8.275 -1.741
81 H GLY 10 H GLY 10 10.113 2.313 -2.346
82 HA2 GLY 10 HA2 GLY 10 11.223 2.284 0.354
83 HA3 GLY 10 HA3 GLY 10 11.543 1.062 -0.837
84 H LYS 11 H LYS 11 13.521 2.154 0.833
85 HA LYS 11 HA LYS 11 14.905 4.330 -0.352
86 HB2 LYS 11 HB2 LYS 11 16.070 2.021 1.265
87 HB3 LYS 11 HB3 LYS 11 16.885 3.520 0.890
88 HG2 LYS 11 HG2 LYS 11 14.460 3.154 2.675
89 HG3 LYS 11 HG3 LYS 11 16.083 3.644 3.154
90 HD2 LYS 11 HD2 LYS 11 14.051 5.210 1.536
91 HD3 LYS 11 HD3 LYS 11 14.599 5.534 3.190
92 HE2 LYS 11 HE2 LYS 11 16.763 6.199 2.444
93 HE3 LYS 11 HE3 LYS 11 16.422 5.700 0.776
94 HZ1 LYS 11 HZ1 LYS 11 16.148 8.137 1.234
95 HZ2 LYS 11 HZ2 LYS 11 14.824 7.789 2.121
96 HZ3 LYS 11 HZ3 LYS 11 14.871 7.379 0.522
97 H THR 12 H THR 12 14.750 0.913 -1.234
98 HA THR 12 HA THR 12 16.702 1.524 -3.416
99 HB THR 12 HB THR 12 17.076 -0.910 -3.534
100 HG1 THR 12 HG1 THR 12 15.817 -0.928 -0.991
101 HG21 THR 12 HG21 THR 12 17.743 0.368 -0.864
102 HG22 THR 12 HG22 THR 12 18.660 0.553 -2.380
103 HG23 THR 12 HG23 THR 12 18.556 -1.040 -1.603
104 H LEU 13 H LEU 13 13.403 0.016 -2.728
105 HA LEU 13 HA LEU 13 13.113 0.229 -5.715
106 HB2 LEU 13 HB2 LEU 13 13.399 -2.095 -4.946
107 HB3 LEU 13 HB3 LEU 13 11.965 -1.902 -3.920
108 HG LEU 13 HG LEU 13 10.561 -1.540 -5.907
109 HD11 LEU 13 HD11 LEU 13 11.984 -0.471 -7.502
110 HD12 LEU 13 HD12 LEU 13 11.539 -2.027 -8.184
111 HD13 LEU 13 HD13 LEU 13 13.144 -1.823 -7.454
112 HD21 LEU 13 HD21 LEU 13 12.315 -4.005 -6.261
113 HD22 LEU 13 HD22 LEU 13 10.619 -3.809 -6.756
114 HD23 LEU 13 HD23 LEU 13 11.051 -3.861 -5.035
115 H LYS 14 H LYS 14 11.468 1.239 -6.533
116 HA LYS 14 HA LYS 14 9.214 1.938 -4.752
117 HB2 LYS 14 HB2 LYS 14 10.493 3.766 -6.846
118 HB3 LYS 14 HB3 LYS 14 9.012 4.073 -5.937
119 HG2 LYS 14 HG2 LYS 14 10.247 5.204 -4.525
120 HG3 LYS 14 HG3 LYS 14 10.680 3.642 -3.849
121 HD2 LYS 14 HD2 LYS 14 12.300 5.173 -5.914
122 HD3 LYS 14 HD3 LYS 14 12.553 5.207 -4.159
123 HE2 LYS 14 HE2 LYS 14 12.969 2.754 -4.189
124 HE3 LYS 14 HE3 LYS 14 12.913 2.812 -5.967
125 HZ1 LYS 14 HZ1 LYS 14 15.157 2.950 -5.244
126 HZ2 LYS 14 HZ2 LYS 14 14.849 4.274 -4.278
127 HZ3 LYS 14 HZ3 LYS 14 14.711 4.367 -5.912
128 H GLY 15 H GLY 15 7.203 2.106 -5.759
129 HA2 GLY 15 HA2 GLY 15 6.651 1.657 -8.518
130 HA3 GLY 15 HA3 GLY 15 6.557 0.114 -7.642
131 H GLU 16 H GLU 16 4.157 0.603 -8.547
132 HA GLU 16 HA GLU 16 2.600 1.556 -6.275
133 HB2 GLU 16 HB2 GLU 16 2.370 2.732 -9.091
134 HB3 GLU 16 HB3 GLU 16 1.042 2.780 -7.909
135 HG2 GLU 16 HG2 GLU 16 2.496 3.944 -6.302
136 HG3 GLU 16 HG3 GLU 16 3.809 3.966 -7.476
137 H THR 17 H THR 17 0.450 0.624 -6.288
138 HA THR 17 HA THR 17 -0.288 -1.205 -8.411
139 HB THR 17 HB THR 17 1.330 -2.532 -7.007
140 HG1 THR 17 HG1 THR 17 -0.266 -4.294 -6.799
141 HG21 THR 17 HG21 THR 17 0.427 -3.520 -4.834
142 HG22 THR 17 HG22 THR 17 -0.789 -2.234 -4.828
143 HG23 THR 17 HG23 THR 17 0.945 -1.838 -4.770
144 H THR 18 H THR 18 -2.553 -2.198 -7.860
145 HA THR 18 HA THR 18 -4.060 -0.543 -5.917
146 HB THR 18 HB THR 18 -5.882 -0.404 -7.713
147 HG1 THR 18 HG1 THR 18 -5.227 -1.801 -9.250
148 HG21 THR 18 HG21 THR 18 -4.926 1.526 -8.901
149 HG22 THR 18 HG22 THR 18 -3.311 1.120 -8.285
150 HG23 THR 18 HG23 THR 18 -4.612 1.578 -7.161
151 H THR 19 H THR 19 -5.966 -1.590 -5.123
152 HA THR 19 HA THR 19 -6.606 -4.213 -6.211
153 HB THR 19 HB THR 19 -4.727 -4.449 -4.428
154 HG1 THR 19 HG1 THR 19 -5.972 -6.118 -5.273
155 HG21 THR 19 HG21 THR 19 -5.949 -2.967 -2.722
156 HG22 THR 19 HG22 THR 19 -5.329 -4.518 -2.131
157 HG23 THR 19 HG23 THR 19 -7.060 -4.324 -2.486
158 H GLU 20 H GLU 20 -8.801 -4.787 -5.756
159 HA GLU 20 HA GLU 20 -10.388 -2.520 -4.617
160 HB2 GLU 20 HB2 GLU 20 -11.096 -4.814 -6.491
161 HB3 GLU 20 HB3 GLU 20 -12.301 -3.879 -5.566
162 HG2 GLU 20 HG2 GLU 20 -11.504 -1.789 -6.550
163 HG3 GLU 20 HG3 GLU 20 -10.275 -2.661 -7.491
164 H ALA 21 H ALA 21 -10.416 -2.821 -2.533
165 HA ALA 21 HA ALA 21 -10.688 -5.602 -1.422
166 HB1 ALA 21 HB1 ALA 21 -9.683 -4.724 0.639
167 HB2 ALA 21 HB2 ALA 21 -8.605 -4.477 -0.746
168 HB3 ALA 21 HB3 ALA 21 -9.564 -3.118 -0.105
169 H VAL 22 H VAL 22 -12.049 -5.865 0.359
170 HA VAL 22 HA VAL 22 -14.582 -4.507 0.121
171 HB VAL 22 HB VAL 22 -15.310 -5.777 2.105
172 HG11 VAL 22 HG11 VAL 22 -13.975 -7.481 -0.019
173 HG12 VAL 22 HG12 VAL 22 -15.394 -7.897 0.971
174 HG13 VAL 22 HG13 VAL 22 -15.505 -6.614 -0.221
175 HG21 VAL 22 HG21 VAL 22 -13.127 -6.013 3.317
176 HG22 VAL 22 HG22 VAL 22 -13.949 -7.545 3.069
177 HG23 VAL 22 HG23 VAL 22 -12.558 -7.107 2.044
178 H ASP 23 H ASP 23 -11.908 -4.123 2.505
179 HA ASP 23 HA ASP 23 -12.960 -1.518 3.194
180 HB2 ASP 23 HB2 ASP 23 -12.956 -1.894 5.598
181 HB3 ASP 23 HB3 ASP 23 -14.189 -2.842 4.781
182 H ALA 24 H ALA 24 -11.388 -0.446 4.771
183 HA ALA 24 HA ALA 24 -8.877 -0.511 3.427
184 HB1 ALA 24 HB1 ALA 24 -8.203 1.199 5.076
185 HB2 ALA 24 HB2 ALA 24 -9.755 1.571 4.300
186 HB3 ALA 24 HB3 ALA 24 -9.711 0.934 5.961
187 H ALA 25 H ALA 25 -10.042 -2.321 6.298
188 HA ALA 25 HA ALA 25 -7.366 -2.766 7.316
189 HB1 ALA 25 HB1 ALA 25 -9.868 -4.476 7.729
190 HB2 ALA 25 HB2 ALA 25 -8.380 -4.502 8.685
191 HB3 ALA 25 HB3 ALA 25 -9.414 -3.064 8.712
192 H THR 26 H THR 26 -9.644 -4.692 5.275
193 HA THR 26 HA THR 26 -7.896 -6.812 4.630
194 HB THR 26 HB THR 26 -9.928 -5.461 2.860
195 HG1 THR 26 HG1 THR 26 -10.269 -7.671 4.628
196 HG21 THR 26 HG21 THR 26 -8.629 -7.120 1.591
197 HG22 THR 26 HG22 THR 26 -10.308 -7.627 1.799
198 HG23 THR 26 HG23 THR 26 -9.053 -8.356 2.799
199 H ALA 27 H ALA 27 -8.331 -3.600 3.056
200 HA ALA 27 HA ALA 27 -6.545 -4.020 0.900
201 HB1 ALA 27 HB1 ALA 27 -7.001 -1.335 2.275
202 HB2 ALA 27 HB2 ALA 27 -6.707 -1.677 0.561
203 HB3 ALA 27 HB3 ALA 27 -8.257 -2.090 1.294
204 H GLU 28 H GLU 28 -5.985 -2.428 4.095
205 HA GLU 28 HA GLU 28 -3.322 -1.758 3.863
206 HB2 GLU 28 HB2 GLU 28 -4.933 -1.111 5.633
207 HB3 GLU 28 HB3 GLU 28 -4.828 -2.733 6.330
208 HG2 GLU 28 HG2 GLU 28 -2.436 -2.338 6.823
209 HG3 GLU 28 HG3 GLU 28 -2.561 -0.738 6.035
210 H LYS 29 H LYS 29 -4.724 -4.841 4.947
211 HA LYS 29 HA LYS 29 -2.240 -6.166 5.547
212 HB2 LYS 29 HB2 LYS 29 -5.018 -7.219 4.855
213 HB3 LYS 29 HB3 LYS 29 -3.680 -8.223 5.432
214 HG2 LYS 29 HG2 LYS 29 -3.568 -6.904 7.525
215 HG3 LYS 29 HG3 LYS 29 -4.881 -5.885 7.009
216 HD2 LYS 29 HD2 LYS 29 -5.121 -8.905 7.256
217 HD3 LYS 29 HD3 LYS 29 -5.507 -7.761 8.553
218 HE2 LYS 29 HE2 LYS 29 -7.206 -6.703 7.147
219 HE3 LYS 29 HE3 LYS 29 -6.876 -7.906 5.869
220 HZ1 LYS 29 HZ1 LYS 29 -7.581 -9.627 7.286
221 HZ2 LYS 29 HZ2 LYS 29 -8.764 -8.485 7.387
222 HZ3 LYS 29 HZ3 LYS 29 -7.674 -8.638 8.601
223 H VAL 30 H VAL 30 -4.414 -6.263 2.621
224 HA VAL 30 HA VAL 30 -2.763 -8.099 1.177
225 HB VAL 30 HB VAL 30 -4.705 -5.917 0.295
226 HG11 VAL 30 HG11 VAL 30 -3.169 -6.037 -1.579
227 HG12 VAL 30 HG12 VAL 30 -3.144 -7.811 -1.503
228 HG13 VAL 30 HG13 VAL 30 -4.621 -6.952 -2.001
229 HG21 VAL 30 HG21 VAL 30 -4.714 -8.956 0.266
230 HG22 VAL 30 HG22 VAL 30 -5.640 -7.913 1.339
231 HG23 VAL 30 HG23 VAL 30 -6.021 -7.929 -0.381
232 H PHE 31 H PHE 31 -2.712 -4.511 1.262
233 HA PHE 31 HA PHE 31 -0.509 -4.255 -0.488
234 HB2 PHE 31 HB2 PHE 31 -1.550 -2.452 1.729
235 HB3 PHE 31 HB3 PHE 31 -0.358 -1.971 0.538
236 HD1 PHE 31 HD1 PHE 31 -1.389 -3.084 -2.039
237 HD2 PHE 31 HD2 PHE 31 -3.484 -1.204 1.245
238 HE1 PHE 31 HE1 PHE 31 -3.053 -2.224 -3.601
239 HE2 PHE 31 HE2 PHE 31 -5.149 -0.358 -0.316
240 HZ PHE 31 HZ PHE 31 -4.923 -0.811 -2.790
241 H LYS 32 H LYS 32 -0.567 -4.619 3.110
242 HA LYS 32 HA LYS 32 2.225 -4.231 3.528
243 HB2 LYS 32 HB2 LYS 32 -0.001 -5.627 4.998
244 HB3 LYS 32 HB3 LYS 32 1.615 -6.202 5.323
245 HG2 LYS 32 HG2 LYS 32 1.782 -3.352 5.381
246 HG3 LYS 32 HG3 LYS 32 0.337 -3.810 6.289
247 HD2 LYS 32 HD2 LYS 32 1.588 -5.221 7.761
248 HD3 LYS 32 HD3 LYS 32 3.059 -5.050 6.775
249 HE2 LYS 32 HE2 LYS 32 3.025 -2.592 7.171
250 HE3 LYS 32 HE3 LYS 32 1.580 -2.794 8.181
251 HZ1 LYS 32 HZ1 LYS 32 4.177 -4.049 8.742
252 HZ2 LYS 32 HZ2 LYS 32 2.849 -4.034 9.736
253 HZ3 LYS 32 HZ3 LYS 32 3.709 -2.642 9.366
254 H GLN 33 H GLN 33 0.441 -7.249 2.819
255 HA GLN 33 HA GLN 33 2.693 -8.893 2.834
256 HB2 GLN 33 HB2 GLN 33 0.427 -9.785 2.943
257 HB3 GLN 33 HB3 GLN 33 0.000 -9.035 1.407
258 HG2 GLN 33 HG2 GLN 33 0.319 -11.345 0.966
259 HG3 GLN 33 HG3 GLN 33 1.683 -10.479 0.255
260 HE21 GLN 33 HE21 GLN 33 3.735 -10.626 1.240
261 HE22 GLN 33 HE22 GLN 33 4.196 -11.947 2.286
262 H TYR 34 H TYR 34 1.160 -6.946 0.254
263 HA TYR 34 HA TYR 34 2.851 -8.000 -1.827
264 HB2 TYR 34 HB2 TYR 34 0.626 -6.747 -2.056
265 HB3 TYR 34 HB3 TYR 34 1.550 -5.260 -1.840
266 HD1 TYR 34 HD1 TYR 34 1.305 -8.377 -3.899
267 HD2 TYR 34 HD2 TYR 34 2.747 -4.312 -3.718
268 HE1 TYR 34 HE1 TYR 34 1.856 -8.466 -6.307
269 HE2 TYR 34 HE2 TYR 34 3.265 -4.382 -6.136
270 HH TYR 34 HH TYR 34 2.295 -7.173 -8.165
271 H ALA 35 H ALA 35 3.159 -5.070 0.212
272 HA ALA 35 HA ALA 35 5.484 -4.115 -1.196
273 HB1 ALA 35 HB1 ALA 35 5.732 -2.610 0.685
274 HB2 ALA 35 HB2 ALA 35 4.026 -2.734 0.229
275 HB3 ALA 35 HB3 ALA 35 4.638 -3.614 1.660
276 H ASN 36 H ASN 36 5.092 -6.023 1.807
277 HA ASN 36 HA ASN 36 7.878 -6.226 2.342
278 HB2 ASN 36 HB2 ASN 36 7.074 -7.064 4.232
279 HB3 ASN 36 HB3 ASN 36 5.460 -7.153 3.537
280 HD21 ASN 36 HD21 ASN 36 5.004 -9.143 2.121
281 HD22 ASN 36 HD22 ASN 36 5.767 -10.634 2.670
282 H ASP 37 H ASP 37 5.780 -7.996 0.156
283 HA ASP 37 HA ASP 37 7.441 -10.276 -0.324
284 HB2 ASP 37 HB2 ASP 37 5.066 -10.160 -1.003
285 HB3 ASP 37 HB3 ASP 37 5.424 -8.856 -2.092
286 H ASN 38 H ASN 38 7.258 -7.014 -1.682
287 HA ASN 38 HA ASN 38 9.518 -7.403 -3.535
288 HB2 ASN 38 HB2 ASN 38 7.963 -4.897 -2.731
289 HB3 ASN 38 HB3 ASN 38 9.237 -4.971 -3.953
290 HD21 ASN 38 HD21 ASN 38 5.900 -5.835 -3.265
291 HD22 ASN 38 HD22 ASN 38 5.539 -6.455 -4.815
292 H GLY 39 H GLY 39 9.349 -7.100 -0.254
293 HA2 GLY 39 HA2 GLY 39 10.945 -6.834 1.314
294 HA3 GLY 39 HA3 GLY 39 12.113 -6.384 0.056
295 H VAL 40 H VAL 40 9.058 -4.663 0.430
296 HA VAL 40 HA VAL 40 10.509 -2.261 1.392
297 HB VAL 40 HB VAL 40 7.820 -2.546 -0.009
298 HG11 VAL 40 HG11 VAL 40 7.941 -0.518 1.372
299 HG12 VAL 40 HG12 VAL 40 9.498 -0.079 0.636
300 HG13 VAL 40 HG13 VAL 40 8.011 -0.085 -0.340
301 HG21 VAL 40 HG21 VAL 40 9.397 -3.225 -1.596
302 HG22 VAL 40 HG22 VAL 40 8.914 -1.569 -1.984
303 HG23 VAL 40 HG23 VAL 40 10.492 -1.868 -1.218
304 H ASP 41 H ASP 41 10.188 -1.820 3.564
305 HA ASP 41 HA ASP 41 7.455 -1.907 4.549
306 HB2 ASP 41 HB2 ASP 41 8.234 -4.230 4.980
307 HB3 ASP 41 HB3 ASP 41 9.594 -3.556 5.897
308 H GLY 42 H GLY 42 7.610 0.250 4.772
309 HA2 GLY 42 HA2 GLY 42 9.732 1.393 6.539
310 HA3 GLY 42 HA3 GLY 42 8.969 2.200 5.159
311 H GLU 43 H GLU 43 8.075 3.900 6.128
312 HA GLU 43 HA GLU 43 6.320 3.515 8.461
313 HB2 GLU 43 HB2 GLU 43 8.028 5.401 8.279
314 HB3 GLU 43 HB3 GLU 43 7.160 5.985 6.877
315 HG2 GLU 43 HG2 GLU 43 5.089 6.190 8.324
316 HG3 GLU 43 HG3 GLU 43 6.108 5.829 9.732
317 H TRP 44 H TRP 44 4.272 2.950 7.992
318 HA TRP 44 HA TRP 44 3.219 3.350 5.284
319 HB2 TRP 44 HB2 TRP 44 2.117 1.857 7.688
320 HB3 TRP 44 HB3 TRP 44 1.264 2.026 6.165
321 HD1 TRP 44 HD1 TRP 44 4.656 0.608 7.415
322 HE1 TRP 44 HE1 TRP 44 5.335 -1.380 6.001
323 HE3 TRP 44 HE3 TRP 44 0.800 0.709 4.006
324 HZ2 TRP 44 HZ2 TRP 44 4.409 -2.706 3.649
325 HZ3 TRP 44 HZ3 TRP 44 0.804 -0.939 2.128
326 HH2 TRP 44 HH2 TRP 44 2.569 -2.624 1.943
327 H THR 45 H THR 45 1.708 4.820 4.700
328 HA THR 45 HA THR 45 0.418 6.510 6.772
329 HB THR 45 HB THR 45 0.818 8.426 5.365
330 HG1 THR 45 HG1 THR 45 2.179 7.984 3.415
331 HG21 THR 45 HG21 THR 45 3.447 6.882 5.362
332 HG22 THR 45 HG22 THR 45 2.763 7.656 6.817
333 HG23 THR 45 HG23 THR 45 3.223 8.636 5.416
334 H TYR 46 H TYR 46 -1.525 7.806 5.423
335 HA TYR 46 HA TYR 46 -2.718 6.167 3.376
336 HB2 TYR 46 HB2 TYR 46 -3.333 4.851 5.399
337 HB3 TYR 46 HB3 TYR 46 -4.050 6.303 6.098
338 HD1 TYR 46 HD1 TYR 46 -4.304 4.754 2.644
339 HD2 TYR 46 HD2 TYR 46 -6.347 5.912 6.262
340 HE1 TYR 46 HE1 TYR 46 -6.460 4.171 1.605
341 HE2 TYR 46 HE2 TYR 46 -8.492 5.280 5.257
342 HH TYR 46 HH TYR 46 -9.507 5.138 2.902
343 H ASP 47 H ASP 47 -3.837 7.422 2.100
344 HA ASP 47 HA ASP 47 -4.782 10.113 2.954
345 HB2 ASP 47 HB2 ASP 47 -3.738 9.044 0.282
346 HB3 ASP 47 HB3 ASP 47 -4.639 10.550 0.460
347 H ASP 48 H ASP 48 -6.644 8.897 3.806
348 HA ASP 48 HA ASP 48 -8.236 7.091 2.401
349 HB2 ASP 48 HB2 ASP 48 -8.377 8.032 4.866
350 HB3 ASP 48 HB3 ASP 48 -9.543 9.160 4.183
351 H ALA 49 H ALA 49 -8.176 10.547 2.241
352 HA ALA 49 HA ALA 49 -10.433 11.294 0.844
353 HB1 ALA 49 HB1 ALA 49 -8.612 12.824 1.654
354 HB2 ALA 49 HB2 ALA 49 -7.586 12.267 0.321
355 HB3 ALA 49 HB3 ALA 49 -9.081 13.159 -0.030
356 H THR 50 H THR 50 -7.567 9.645 -0.459
357 HA THR 50 HA THR 50 -8.922 9.360 -3.082
358 HB THR 50 HB THR 50 -7.151 11.155 -2.947
359 HG1 THR 50 HG1 THR 50 -7.740 10.455 -4.880
360 HG21 THR 50 HG21 THR 50 -4.793 10.476 -3.045
361 HG22 THR 50 HG22 THR 50 -5.271 8.792 -2.726
362 HG23 THR 50 HG23 THR 50 -5.553 10.034 -1.509
363 H LYS 51 H LYS 51 -8.368 7.724 -0.453
364 HA LYS 51 HA LYS 51 -7.969 5.636 0.177
365 HB2 LYS 51 HB2 LYS 51 -8.778 4.932 -2.672
366 HB3 LYS 51 HB3 LYS 51 -8.937 3.900 -1.256
367 HG2 LYS 51 HG2 LYS 51 -10.604 5.454 -0.280
368 HG3 LYS 51 HG3 LYS 51 -10.420 6.536 -1.659
369 HD2 LYS 51 HD2 LYS 51 -12.288 5.380 -2.315
370 HD3 LYS 51 HD3 LYS 51 -11.021 4.489 -3.135
371 HE2 LYS 51 HE2 LYS 51 -12.227 2.749 -2.221
372 HE3 LYS 51 HE3 LYS 51 -11.026 2.990 -0.943
373 HZ1 LYS 51 HZ1 LYS 51 -13.751 4.133 -1.025
374 HZ2 LYS 51 HZ2 LYS 51 -12.701 4.294 0.257
375 HZ3 LYS 51 HZ3 LYS 51 -13.338 2.819 -0.167
376 H THR 52 H THR 52 -5.550 6.913 -0.606
377 HA THR 52 HA THR 52 -4.066 4.625 -1.778
378 HB THR 52 HB THR 52 -3.367 7.569 -1.795
379 HG1 THR 52 HG1 THR 52 -3.773 7.456 -3.940
380 HG21 THR 52 HG21 THR 52 -1.953 5.127 -2.964
381 HG22 THR 52 HG22 THR 52 -1.317 6.264 -1.761
382 HG23 THR 52 HG23 THR 52 -1.594 6.807 -3.408
383 H PHE 53 H PHE 53 -2.512 3.628 -0.577
384 HA PHE 53 HA PHE 53 -1.696 4.932 2.016
385 HB2 PHE 53 HB2 PHE 53 -1.101 2.063 1.292
386 HB3 PHE 53 HB3 PHE 53 -0.857 2.864 2.762
387 HD1 PHE 53 HD1 PHE 53 -3.917 2.282 0.610
388 HD2 PHE 53 HD2 PHE 53 -2.088 2.136 4.489
389 HE1 PHE 53 HE1 PHE 53 -5.998 1.274 1.546
390 HE2 PHE 53 HE2 PHE 53 -4.150 1.128 5.431
391 HZ PHE 53 HZ PHE 53 -6.108 0.685 3.962
392 H THR 54 H THR 54 0.679 4.984 2.423
393 HA THR 54 HA THR 54 2.346 4.570 0.012
394 HB THR 54 HB THR 54 2.213 7.202 1.499
395 HG1 THR 54 HG1 THR 54 0.817 6.188 -0.470
396 HG21 THR 54 HG21 THR 54 4.481 6.842 0.849
397 HG22 THR 54 HG22 THR 54 3.754 7.987 -0.287
398 HG23 THR 54 HG23 THR 54 4.014 6.291 -0.765
399 H VAL 55 H VAL 55 4.028 3.317 0.593
400 HA VAL 55 HA VAL 55 4.761 3.268 3.489
401 HB VAL 55 HB VAL 55 3.952 1.148 2.822
402 HG11 VAL 55 HG11 VAL 55 6.035 0.927 0.657
403 HG12 VAL 55 HG12 VAL 55 4.856 -0.292 1.177
404 HG13 VAL 55 HG13 VAL 55 4.299 1.189 0.376
405 HG21 VAL 55 HG21 VAL 55 5.878 1.292 4.359
406 HG22 VAL 55 HG22 VAL 55 5.949 -0.212 3.395
407 HG23 VAL 55 HG23 VAL 55 7.000 1.155 2.988
408 H THR 56 H THR 56 6.349 4.636 3.795
409 HA THR 56 HA THR 56 8.382 4.909 1.646
410 HB THR 56 HB THR 56 7.813 6.754 3.889
411 HG1 THR 56 HG1 THR 56 6.799 8.066 2.335
412 HG21 THR 56 HG21 THR 56 10.084 6.974 2.995
413 HG22 THR 56 HG22 THR 56 9.150 8.363 2.459
414 HG23 THR 56 HG23 THR 56 9.457 7.031 1.330
415 H GLU 57 H GLU 57 9.958 3.662 1.987
416 HA GLU 57 HA GLU 57 10.817 2.700 4.642
417 HB2 GLU 57 HB2 GLU 57 11.001 1.469 2.098
418 HB3 GLU 57 HB3 GLU 57 12.546 2.229 2.276
419 HG2 GLU 57 HG2 GLU 57 12.438 1.111 4.706
420 HG3 GLU 57 HG3 GLU 57 11.216 0.118 3.860
Start of MODEL 4
1 H1 MET 1 H MET 1 -16.591 -1.188 1.358
2 HA MET 1 HA MET 1 -14.560 -1.639 0.114
3 HB2 MET 1 HB2 MET 1 -16.674 -2.860 -0.381
4 HB3 MET 1 HB3 MET 1 -17.001 -1.754 -1.710
5 HG2 MET 1 HG2 MET 1 -15.407 -2.764 -3.062
6 HG3 MET 1 HG3 MET 1 -14.339 -3.088 -1.731
7 HE1 MET 1 HE1 MET 1 -14.510 -5.085 -4.063
8 HE2 MET 1 HE2 MET 1 -13.509 -5.231 -2.597
9 HE3 MET 1 HE3 MET 1 -14.515 -6.595 -3.124
10 H GLY 2 H GLY 2 -14.178 -1.286 -2.691
11 HA2 GLY 2 HA2 GLY 2 -14.340 0.688 -4.232
12 HA3 GLY 2 HA3 GLY 2 -13.548 1.572 -2.922
13 H THR 3 H THR 3 -12.245 1.691 -5.134
14 HA THR 3 HA THR 3 -10.227 -0.474 -5.342
15 HB THR 3 HB THR 3 -10.409 2.102 -6.943
16 HG1 THR 3 HG1 THR 3 -11.494 -0.441 -7.596
17 HG21 THR 3 HG21 THR 3 -9.136 0.804 -8.630
18 HG22 THR 3 HG22 THR 3 -9.103 -0.599 -7.537
19 HG23 THR 3 HG23 THR 3 -8.253 0.900 -7.101
20 H TYR 4 H TYR 4 -8.380 -0.276 -4.206
21 HA TYR 4 HA TYR 4 -7.684 2.298 -2.888
22 HB2 TYR 4 HB2 TYR 4 -7.245 -0.647 -2.202
23 HB3 TYR 4 HB3 TYR 4 -6.347 0.632 -1.440
24 HD1 TYR 4 HD1 TYR 4 -7.401 2.367 -0.050
25 HD2 TYR 4 HD2 TYR 4 -9.579 -1.094 -1.471
26 HE1 TYR 4 HE1 TYR 4 -9.144 2.752 1.676
27 HE2 TYR 4 HE2 TYR 4 -11.328 -0.665 0.209
28 HH TYR 4 HH TYR 4 -12.109 0.747 1.829
29 H LYS 5 H LYS 5 -5.326 2.740 -2.816
30 HA LYS 5 HA LYS 5 -3.681 1.403 -4.917
31 HB2 LYS 5 HB2 LYS 5 -4.499 3.608 -5.763
32 HB3 LYS 5 HB3 LYS 5 -3.814 4.388 -4.333
33 HG2 LYS 5 HG2 LYS 5 -1.522 3.567 -5.044
34 HG3 LYS 5 HG3 LYS 5 -2.251 2.919 -6.503
35 HD2 LYS 5 HD2 LYS 5 -1.984 5.829 -5.642
36 HD3 LYS 5 HD3 LYS 5 -1.057 4.979 -6.867
37 HE2 LYS 5 HE2 LYS 5 -2.495 6.021 -8.239
38 HE3 LYS 5 HE3 LYS 5 -3.422 4.544 -7.988
39 HZ1 LYS 5 HZ1 LYS 5 -3.763 7.039 -6.418
40 HZ2 LYS 5 HZ2 LYS 5 -4.786 5.739 -6.380
41 HZ3 LYS 5 HZ3 LYS 5 -4.669 6.682 -7.719
42 H LEU 6 H LEU 6 -1.484 1.239 -4.477
43 HA LEU 6 HA LEU 6 -0.578 2.013 -1.747
44 HB2 LEU 6 HB2 LEU 6 -0.864 -0.355 -1.753
45 HB3 LEU 6 HB3 LEU 6 -0.121 -0.508 -3.334
46 HG LEU 6 HG LEU 6 2.081 0.250 -2.303
47 HD11 LEU 6 HD11 LEU 6 1.382 1.527 -0.383
48 HD12 LEU 6 HD12 LEU 6 2.211 0.111 0.227
49 HD13 LEU 6 HD13 LEU 6 0.431 0.175 0.253
50 HD21 LEU 6 HD21 LEU 6 0.671 -2.254 -1.398
51 HD22 LEU 6 HD22 LEU 6 2.342 -1.915 -0.925
52 HD23 LEU 6 HD23 LEU 6 1.901 -2.021 -2.639
53 H ILE 7 H ILE 7 1.271 3.077 -1.781
54 HA ILE 7 HA ILE 7 2.841 3.343 -4.310
55 HB ILE 7 HB ILE 7 2.323 5.465 -2.211
56 HG12 ILE 7 HG12 ILE 7 1.281 5.185 -5.065
57 HG13 ILE 7 HG13 ILE 7 0.329 5.059 -3.598
58 HG21 ILE 7 HG21 ILE 7 3.628 6.949 -3.700
59 HG22 ILE 7 HG22 ILE 7 4.599 5.570 -3.249
60 HG23 ILE 7 HG23 ILE 7 3.851 5.622 -4.860
61 HD11 ILE 7 HD11 ILE 7 0.755 7.414 -3.073
62 HD12 ILE 7 HD12 ILE 7 1.680 7.586 -4.593
63 HD13 ILE 7 HD13 ILE 7 -0.038 7.205 -4.651
64 H LEU 8 H LEU 8 4.541 2.090 -4.023
65 HA LEU 8 HA LEU 8 5.705 1.553 -1.367
66 HB2 LEU 8 HB2 LEU 8 6.394 0.601 -4.183
67 HB3 LEU 8 HB3 LEU 8 7.189 0.079 -2.742
68 HG LEU 8 HG LEU 8 4.285 -0.349 -3.260
69 HD11 LEU 8 HD11 LEU 8 6.625 -2.326 -3.491
70 HD12 LEU 8 HD12 LEU 8 5.795 -1.594 -4.882
71 HD13 LEU 8 HD13 LEU 8 4.922 -2.692 -3.806
72 HD21 LEU 8 HD21 LEU 8 4.509 -2.114 -1.536
73 HD22 LEU 8 HD22 LEU 8 4.640 -0.469 -0.939
74 HD23 LEU 8 HD23 LEU 8 6.113 -1.467 -1.124
75 H ASN 9 H ASN 9 6.874 3.250 -0.679
76 HA ASN 9 HA ASN 9 8.669 4.730 -2.572
77 HB2 ASN 9 HB2 ASN 9 7.298 5.563 0.000
78 HB3 ASN 9 HB3 ASN 9 8.756 6.378 -0.567
79 HD21 ASN 9 HD21 ASN 9 6.535 7.880 -0.218
80 HD22 ASN 9 HD22 ASN 9 6.033 8.398 -1.801
81 H GLY 10 H GLY 10 10.080 2.709 -2.370
82 HA2 GLY 10 HA2 GLY 10 11.413 2.578 0.216
83 HA3 GLY 10 HA3 GLY 10 11.626 1.427 -1.088
84 H LYS 11 H LYS 11 13.635 2.559 0.520
85 HA LYS 11 HA LYS 11 14.967 4.730 -0.837
86 HB2 LYS 11 HB2 LYS 11 16.115 2.589 1.032
87 HB3 LYS 11 HB3 LYS 11 16.894 4.117 0.634
88 HG2 LYS 11 HG2 LYS 11 14.284 3.782 2.150
89 HG3 LYS 11 HG3 LYS 11 15.847 4.148 2.860
90 HD2 LYS 11 HD2 LYS 11 15.877 6.343 2.134
91 HD3 LYS 11 HD3 LYS 11 14.799 6.054 0.759
92 HE2 LYS 11 HE2 LYS 11 12.920 5.598 2.243
93 HE3 LYS 11 HE3 LYS 11 13.937 5.853 3.647
94 HZ1 LYS 11 HZ1 LYS 11 13.216 7.905 1.648
95 HZ2 LYS 11 HZ2 LYS 11 14.258 8.152 2.906
96 HZ3 LYS 11 HZ3 LYS 11 12.705 7.809 3.232
97 H THR 12 H THR 12 14.780 1.350 -1.423
98 HA THR 12 HA THR 12 17.091 1.460 -3.332
99 HB THR 12 HB THR 12 16.840 -1.059 -3.170
100 HG1 THR 12 HG1 THR 12 15.318 -1.811 -2.038
101 HG21 THR 12 HG21 THR 12 17.976 -1.252 -0.979
102 HG22 THR 12 HG22 THR 12 17.547 0.429 -0.605
103 HG23 THR 12 HG23 THR 12 18.621 0.047 -1.982
104 H LEU 13 H LEU 13 13.660 0.319 -2.988
105 HA LEU 13 HA LEU 13 13.448 0.417 -5.964
106 HB2 LEU 13 HB2 LEU 13 13.740 -1.924 -5.106
107 HB3 LEU 13 HB3 LEU 13 12.417 -1.664 -3.974
108 HG LEU 13 HG LEU 13 10.857 -1.347 -5.937
109 HD11 LEU 13 HD11 LEU 13 13.327 -2.134 -7.498
110 HD12 LEU 13 HD12 LEU 13 12.422 -0.601 -7.596
111 HD13 LEU 13 HD13 LEU 13 11.670 -2.084 -8.141
112 HD21 LEU 13 HD21 LEU 13 12.311 -3.997 -5.931
113 HD22 LEU 13 HD22 LEU 13 10.667 -3.668 -6.515
114 HD23 LEU 13 HD23 LEU 13 11.041 -3.514 -4.792
115 H LYS 14 H LYS 14 11.281 0.932 -6.693
116 HA LYS 14 HA LYS 14 9.290 1.681 -4.669
117 HB2 LYS 14 HB2 LYS 14 10.196 3.558 -6.902
118 HB3 LYS 14 HB3 LYS 14 8.803 3.776 -5.864
119 HG2 LYS 14 HG2 LYS 14 9.993 4.819 -4.317
120 HG3 LYS 14 HG3 LYS 14 11.011 3.428 -4.087
121 HD2 LYS 14 HD2 LYS 14 11.444 5.714 -6.015
122 HD3 LYS 14 HD3 LYS 14 12.354 5.339 -4.528
123 HE2 LYS 14 HE2 LYS 14 13.325 3.368 -5.494
124 HE3 LYS 14 HE3 LYS 14 12.303 3.493 -6.944
125 HZ1 LYS 14 HZ1 LYS 14 13.385 5.527 -7.518
126 HZ2 LYS 14 HZ2 LYS 14 14.551 4.402 -7.307
127 HZ3 LYS 14 HZ3 LYS 14 14.290 5.511 -6.129
128 H GLY 15 H GLY 15 7.181 1.796 -5.610
129 HA2 GLY 15 HA2 GLY 15 6.633 1.132 -8.351
130 HA3 GLY 15 HA3 GLY 15 6.492 -0.300 -7.316
131 H GLU 16 H GLU 16 4.219 0.633 -8.654
132 HA GLU 16 HA GLU 16 2.516 1.602 -6.417
133 HB2 GLU 16 HB2 GLU 16 2.632 2.602 -9.285
134 HB3 GLU 16 HB3 GLU 16 1.116 2.573 -8.380
135 HG2 GLU 16 HG2 GLU 16 2.256 3.914 -6.580
136 HG3 GLU 16 HG3 GLU 16 3.586 4.193 -7.723
137 H THR 17 H THR 17 0.500 0.626 -6.390
138 HA THR 17 HA THR 17 -0.340 -1.164 -8.492
139 HB THR 17 HB THR 17 1.266 -2.555 -7.138
140 HG1 THR 17 HG1 THR 17 -0.708 -3.309 -8.271
141 HG21 THR 17 HG21 THR 17 -0.838 -2.375 -4.930
142 HG22 THR 17 HG22 THR 17 0.833 -1.796 -4.839
143 HG23 THR 17 HG23 THR 17 0.505 -3.521 -4.973
144 H THR 18 H THR 18 -2.580 -1.912 -8.109
145 HA THR 18 HA THR 18 -4.037 -0.399 -6.060
146 HB THR 18 HB THR 18 -5.852 -0.216 -7.969
147 HG1 THR 18 HG1 THR 18 -4.547 -1.320 -9.596
148 HG21 THR 18 HG21 THR 18 -4.723 1.682 -6.891
149 HG22 THR 18 HG22 THR 18 -4.952 1.981 -8.617
150 HG23 THR 18 HG23 THR 18 -3.347 1.489 -8.004
151 H THR 19 H THR 19 -5.890 -1.514 -5.259
152 HA THR 19 HA THR 19 -6.473 -4.157 -6.294
153 HB THR 19 HB THR 19 -4.470 -4.280 -4.589
154 HG1 THR 19 HG1 THR 19 -5.263 -6.144 -5.209
155 HG21 THR 19 HG21 THR 19 -5.013 -4.449 -2.274
156 HG22 THR 19 HG22 THR 19 -6.760 -4.320 -2.582
157 HG23 THR 19 HG23 THR 19 -5.702 -2.916 -2.814
158 H GLU 20 H GLU 20 -8.598 -4.887 -5.401
159 HA GLU 20 HA GLU 20 -10.216 -2.567 -4.430
160 HB2 GLU 20 HB2 GLU 20 -10.932 -5.185 -5.805
161 HB3 GLU 20 HB3 GLU 20 -12.124 -4.133 -5.002
162 HG2 GLU 20 HG2 GLU 20 -11.665 -2.298 -6.491
163 HG3 GLU 20 HG3 GLU 20 -10.272 -3.135 -7.192
164 H ALA 21 H ALA 21 -10.753 -2.647 -2.265
165 HA ALA 21 HA ALA 21 -10.573 -5.315 -0.922
166 HB1 ALA 21 HB1 ALA 21 -8.558 -3.884 -0.447
167 HB2 ALA 21 HB2 ALA 21 -9.689 -2.705 0.280
168 HB3 ALA 21 HB3 ALA 21 -9.536 -4.313 0.972
169 H VAL 22 H VAL 22 -12.074 -5.690 0.589
170 HA VAL 22 HA VAL 22 -14.541 -4.313 0.359
171 HB VAL 22 HB VAL 22 -14.192 -6.724 0.957
172 HG11 VAL 22 HG11 VAL 22 -13.965 -7.379 3.287
173 HG12 VAL 22 HG12 VAL 22 -12.529 -6.460 2.789
174 HG13 VAL 22 HG13 VAL 22 -13.781 -5.708 3.808
175 HG21 VAL 22 HG21 VAL 22 -16.375 -5.629 1.114
176 HG22 VAL 22 HG22 VAL 22 -16.192 -6.888 2.338
177 HG23 VAL 22 HG23 VAL 22 -16.048 -5.187 2.814
178 H ASP 23 H ASP 23 -11.906 -4.078 2.796
179 HA ASP 23 HA ASP 23 -12.942 -1.502 3.731
180 HB2 ASP 23 HB2 ASP 23 -12.518 -3.951 5.464
181 HB3 ASP 23 HB3 ASP 23 -12.482 -2.302 6.091
182 H ALA 24 H ALA 24 -11.248 -0.443 5.026
183 HA ALA 24 HA ALA 24 -8.787 -0.335 3.718
184 HB1 ALA 24 HB1 ALA 24 -9.578 0.580 6.517
185 HB2 ALA 24 HB2 ALA 24 -8.116 1.089 5.652
186 HB3 ALA 24 HB3 ALA 24 -9.712 1.523 5.012
187 H ALA 25 H ALA 25 -9.752 -2.268 6.589
188 HA ALA 25 HA ALA 25 -7.160 -2.948 7.407
189 HB1 ALA 25 HB1 ALA 25 -9.765 -4.526 7.596
190 HB2 ALA 25 HB2 ALA 25 -8.248 -4.993 8.406
191 HB3 ALA 25 HB3 ALA 25 -9.022 -3.455 8.813
192 H THR 26 H THR 26 -9.345 -4.674 5.152
193 HA THR 26 HA THR 26 -7.613 -6.775 4.375
194 HB THR 26 HB THR 26 -9.798 -5.321 2.883
195 HG1 THR 26 HG1 THR 26 -10.110 -7.777 4.243
196 HG21 THR 26 HG21 THR 26 -8.696 -8.080 2.352
197 HG22 THR 26 HG22 THR 26 -8.605 -6.677 1.280
198 HG23 THR 26 HG23 THR 26 -10.178 -7.407 1.626
199 H ALA 27 H ALA 27 -8.134 -3.467 2.989
200 HA ALA 27 HA ALA 27 -6.439 -3.804 0.742
201 HB1 ALA 27 HB1 ALA 27 -8.045 -1.819 1.270
202 HB2 ALA 27 HB2 ALA 27 -6.802 -1.213 2.346
203 HB3 ALA 27 HB3 ALA 27 -6.450 -1.377 0.619
204 H GLU 28 H GLU 28 -5.748 -2.437 3.976
205 HA GLU 28 HA GLU 28 -3.022 -1.995 3.603
206 HB2 GLU 28 HB2 GLU 28 -4.556 -1.071 5.368
207 HB3 GLU 28 HB3 GLU 28 -4.531 -2.654 6.149
208 HG2 GLU 28 HG2 GLU 28 -1.974 -2.357 6.320
209 HG3 GLU 28 HG3 GLU 28 -2.233 -0.682 5.796
210 H LYS 29 H LYS 29 -4.724 -4.964 4.635
211 HA LYS 29 HA LYS 29 -2.296 -6.378 5.400
212 HB2 LYS 29 HB2 LYS 29 -5.127 -7.253 4.687
213 HB3 LYS 29 HB3 LYS 29 -3.839 -8.417 5.025
214 HG2 LYS 29 HG2 LYS 29 -3.419 -7.453 7.201
215 HG3 LYS 29 HG3 LYS 29 -4.631 -6.211 6.960
216 HD2 LYS 29 HD2 LYS 29 -5.163 -9.196 7.068
217 HD3 LYS 29 HD3 LYS 29 -5.419 -8.046 8.401
218 HE2 LYS 29 HE2 LYS 29 -7.110 -6.854 7.128
219 HE3 LYS 29 HE3 LYS 29 -6.825 -7.908 5.724
220 HZ1 LYS 29 HZ1 LYS 29 -7.583 -9.764 6.956
221 HZ2 LYS 29 HZ2 LYS 29 -8.754 -8.589 7.095
222 HZ3 LYS 29 HZ3 LYS 29 -7.736 -8.919 8.335
223 H VAL 30 H VAL 30 -4.360 -6.430 2.422
224 HA VAL 30 HA VAL 30 -2.726 -8.229 0.983
225 HB VAL 30 HB VAL 30 -4.639 -5.999 0.182
226 HG11 VAL 30 HG11 VAL 30 -3.075 -6.149 -1.717
227 HG12 VAL 30 HG12 VAL 30 -3.283 -7.915 -1.765
228 HG13 VAL 30 HG13 VAL 30 -4.643 -6.838 -2.122
229 HG21 VAL 30 HG21 VAL 30 -4.706 -9.034 -0.004
230 HG22 VAL 30 HG22 VAL 30 -5.523 -8.065 1.237
231 HG23 VAL 30 HG23 VAL 30 -6.039 -7.932 -0.454
232 H PHE 31 H PHE 31 -2.647 -4.639 1.133
233 HA PHE 31 HA PHE 31 -0.375 -4.352 -0.541
234 HB2 PHE 31 HB2 PHE 31 -1.663 -2.602 1.574
235 HB3 PHE 31 HB3 PHE 31 -0.316 -2.073 0.595
236 HD1 PHE 31 HD1 PHE 31 -1.526 -3.662 -2.056
237 HD2 PHE 31 HD2 PHE 31 -2.927 -0.665 0.742
238 HE1 PHE 31 HE1 PHE 31 -2.889 -2.672 -3.808
239 HE2 PHE 31 HE2 PHE 31 -4.267 0.340 -1.072
240 HZ PHE 31 HZ PHE 31 -4.263 -0.668 -3.353
241 H LYS 32 H LYS 32 -0.568 -4.733 3.055
242 HA LYS 32 HA LYS 32 2.216 -4.311 3.526
243 HB2 LYS 32 HB2 LYS 32 0.008 -5.762 4.980
244 HB3 LYS 32 HB3 LYS 32 1.650 -6.238 5.324
245 HG2 LYS 32 HG2 LYS 32 1.748 -3.400 5.325
246 HG3 LYS 32 HG3 LYS 32 0.249 -3.796 6.151
247 HD2 LYS 32 HD2 LYS 32 1.419 -5.192 7.738
248 HD3 LYS 32 HD3 LYS 32 2.926 -5.109 6.797
249 HE2 LYS 32 HE2 LYS 32 3.062 -2.687 7.112
250 HE3 LYS 32 HE3 LYS 32 1.584 -2.706 8.091
251 HZ1 LYS 32 HZ1 LYS 32 3.920 -4.326 8.844
252 HZ2 LYS 32 HZ2 LYS 32 2.704 -3.734 9.812
253 HZ3 LYS 32 HZ3 LYS 32 3.872 -2.744 9.192
254 H GLN 33 H GLN 33 0.463 -7.297 2.678
255 HA GLN 33 HA GLN 33 2.841 -8.859 2.683
256 HB2 GLN 33 HB2 GLN 33 0.391 -9.695 2.682
257 HB3 GLN 33 HB3 GLN 33 0.399 -9.348 0.950
258 HG2 GLN 33 HG2 GLN 33 0.974 -11.595 0.969
259 HG3 GLN 33 HG3 GLN 33 2.569 -10.861 0.900
260 HE21 GLN 33 HE21 GLN 33 3.895 -10.860 2.973
261 HE22 GLN 33 HE22 GLN 33 3.411 -11.962 4.258
262 H TYR 34 H TYR 34 1.185 -6.958 0.127
263 HA TYR 34 HA TYR 34 2.876 -7.846 -1.996
264 HB2 TYR 34 HB2 TYR 34 0.698 -6.605 -2.235
265 HB3 TYR 34 HB3 TYR 34 1.535 -5.129 -1.756
266 HD1 TYR 34 HD1 TYR 34 1.362 -7.805 -4.339
267 HD2 TYR 34 HD2 TYR 34 2.943 -3.923 -3.334
268 HE1 TYR 34 HE1 TYR 34 2.180 -7.550 -6.654
269 HE2 TYR 34 HE2 TYR 34 3.701 -3.625 -5.667
270 HH TYR 34 HH TYR 34 3.686 -6.274 -7.982
271 H ALA 35 H ALA 35 3.183 -5.071 0.196
272 HA ALA 35 HA ALA 35 5.565 -3.994 -0.953
273 HB1 ALA 35 HB1 ALA 35 4.054 -2.782 0.583
274 HB2 ALA 35 HB2 ALA 35 4.587 -3.846 1.911
275 HB3 ALA 35 HB3 ALA 35 5.728 -2.726 1.141
276 H ASN 36 H ASN 36 5.095 -6.167 1.862
277 HA ASN 36 HA ASN 36 7.849 -6.582 2.363
278 HB2 ASN 36 HB2 ASN 36 7.010 -7.651 4.102
279 HB3 ASN 36 HB3 ASN 36 5.397 -7.584 3.408
280 HD21 ASN 36 HD21 ASN 36 5.047 -9.366 1.575
281 HD22 ASN 36 HD22 ASN 36 5.674 -10.928 1.966
282 H ASP 37 H ASP 37 5.718 -8.062 -0.061
283 HA ASP 37 HA ASP 37 7.440 -10.235 -0.766
284 HB2 ASP 37 HB2 ASP 37 5.038 -10.044 -1.460
285 HB3 ASP 37 HB3 ASP 37 5.516 -8.794 -2.605
286 H ASN 38 H ASN 38 7.227 -6.865 -1.769
287 HA ASN 38 HA ASN 38 9.401 -6.984 -3.747
288 HB2 ASN 38 HB2 ASN 38 7.826 -4.666 -2.505
289 HB3 ASN 38 HB3 ASN 38 9.117 -4.455 -3.666
290 HD21 ASN 38 HD21 ASN 38 5.886 -5.952 -3.309
291 HD22 ASN 38 HD22 ASN 38 5.417 -5.638 -4.943
292 H GLY 39 H GLY 39 9.321 -7.022 -0.378
293 HA2 GLY 39 HA2 GLY 39 10.924 -6.736 1.235
294 HA3 GLY 39 HA3 GLY 39 12.097 -6.377 -0.056
295 H VAL 40 H VAL 40 8.985 -4.736 0.821
296 HA VAL 40 HA VAL 40 10.495 -2.273 1.518
297 HB VAL 40 HB VAL 40 7.747 -2.534 0.250
298 HG11 VAL 40 HG11 VAL 40 7.882 -0.115 -0.110
299 HG12 VAL 40 HG12 VAL 40 7.966 -0.521 1.601
300 HG13 VAL 40 HG13 VAL 40 9.452 -0.078 0.723
301 HG21 VAL 40 HG21 VAL 40 9.508 -3.217 -1.394
302 HG22 VAL 40 HG22 VAL 40 8.615 -1.771 -1.820
303 HG23 VAL 40 HG23 VAL 40 10.275 -1.621 -1.176
304 H ASP 41 H ASP 41 10.141 -1.810 3.679
305 HA ASP 41 HA ASP 41 7.450 -1.965 4.705
306 HB2 ASP 41 HB2 ASP 41 8.123 -4.268 5.021
307 HB3 ASP 41 HB3 ASP 41 9.577 -3.729 5.866
308 H GLY 42 H GLY 42 7.538 0.096 5.160
309 HA2 GLY 42 HA2 GLY 42 9.485 1.018 7.239
310 HA3 GLY 42 HA3 GLY 42 9.197 1.978 5.809
311 H GLU 43 H GLU 43 8.202 3.758 6.624
312 HA GLU 43 HA GLU 43 6.058 3.500 8.590
313 HB2 GLU 43 HB2 GLU 43 7.713 5.288 8.753
314 HB3 GLU 43 HB3 GLU 43 7.240 5.929 7.178
315 HG2 GLU 43 HG2 GLU 43 5.151 6.705 7.983
316 HG3 GLU 43 HG3 GLU 43 5.163 5.592 9.357
317 H TRP 44 H TRP 44 4.159 2.916 7.948
318 HA TRP 44 HA TRP 44 3.136 3.342 5.245
319 HB2 TRP 44 HB2 TRP 44 2.043 1.909 7.682
320 HB3 TRP 44 HB3 TRP 44 1.213 2.019 6.138
321 HD1 TRP 44 HD1 TRP 44 4.481 0.526 7.595
322 HE1 TRP 44 HE1 TRP 44 5.267 -1.435 6.158
323 HE3 TRP 44 HE3 TRP 44 0.882 0.721 3.983
324 HZ2 TRP 44 HZ2 TRP 44 4.360 -2.819 3.825
325 HZ3 TRP 44 HZ3 TRP 44 0.861 -0.965 2.157
326 HH2 TRP 44 HH2 TRP 44 2.544 -2.727 2.070
327 H THR 45 H THR 45 1.646 4.850 4.711
328 HA THR 45 HA THR 45 0.178 6.386 6.779
329 HB THR 45 HB THR 45 0.531 8.362 5.455
330 HG1 THR 45 HG1 THR 45 1.598 8.302 3.514
331 HG21 THR 45 HG21 THR 45 2.531 7.613 6.867
332 HG22 THR 45 HG22 THR 45 2.916 8.698 5.513
333 HG23 THR 45 HG23 THR 45 3.230 6.957 5.375
334 H TYR 46 H TYR 46 -1.841 7.615 5.631
335 HA TYR 46 HA TYR 46 -2.997 6.036 3.445
336 HB2 TYR 46 HB2 TYR 46 -3.766 4.873 5.465
337 HB3 TYR 46 HB3 TYR 46 -4.294 6.388 6.170
338 HD1 TYR 46 HD1 TYR 46 -4.823 4.350 3.045
339 HD2 TYR 46 HD2 TYR 46 -6.603 6.904 6.020
340 HE1 TYR 46 HE1 TYR 46 -7.021 4.046 1.970
341 HE2 TYR 46 HE2 TYR 46 -8.830 6.558 4.986
342 HH TYR 46 HH TYR 46 -9.961 5.822 2.999
343 H ASP 47 H ASP 47 -4.374 7.229 2.223
344 HA ASP 47 HA ASP 47 -5.036 10.042 2.962
345 HB2 ASP 47 HB2 ASP 47 -3.794 9.026 0.366
346 HB3 ASP 47 HB3 ASP 47 -4.740 10.500 0.463
347 H ASP 48 H ASP 48 -7.135 9.357 3.465
348 HA ASP 48 HA ASP 48 -8.762 7.569 2.017
349 HB2 ASP 48 HB2 ASP 48 -9.241 8.654 4.289
350 HB3 ASP 48 HB3 ASP 48 -9.776 10.079 3.422
351 H ALA 49 H ALA 49 -8.187 10.928 1.638
352 HA ALA 49 HA ALA 49 -10.126 11.861 -0.136
353 HB1 ALA 49 HB1 ALA 49 -8.331 13.202 0.891
354 HB2 ALA 49 HB2 ALA 49 -7.144 12.430 -0.191
355 HB3 ALA 49 HB3 ALA 49 -8.429 13.501 -0.849
356 H THR 50 H THR 50 -7.499 9.696 -0.869
357 HA THR 50 HA THR 50 -8.489 9.327 -3.633
358 HB THR 50 HB THR 50 -6.688 10.911 -3.839
359 HG1 THR 50 HG1 THR 50 -6.826 9.052 -5.286
360 HG21 THR 50 HG21 THR 50 -4.320 10.240 -3.151
361 HG22 THR 50 HG22 THR 50 -5.078 8.986 -2.133
362 HG23 THR 50 HG23 THR 50 -5.412 10.698 -1.846
363 H LYS 51 H LYS 51 -8.504 7.938 -0.850
364 HA LYS 51 HA LYS 51 -8.083 5.960 0.141
365 HB2 LYS 51 HB2 LYS 51 -9.228 4.961 -2.506
366 HB3 LYS 51 HB3 LYS 51 -9.244 4.107 -0.954
367 HG2 LYS 51 HG2 LYS 51 -10.504 6.122 -0.001
368 HG3 LYS 51 HG3 LYS 51 -10.691 6.686 -1.665
369 HD2 LYS 51 HD2 LYS 51 -12.701 5.600 -1.223
370 HD3 LYS 51 HD3 LYS 51 -11.810 4.413 -2.146
371 HE2 LYS 51 HE2 LYS 51 -11.317 3.106 -0.170
372 HE3 LYS 51 HE3 LYS 51 -11.697 4.461 0.906
373 HZ1 LYS 51 HZ1 LYS 51 -13.589 2.807 -0.626
374 HZ2 LYS 51 HZ2 LYS 51 -14.031 4.175 0.145
375 HZ3 LYS 51 HZ3 LYS 51 -13.415 2.963 1.033
376 H THR 52 H THR 52 -5.706 6.795 -0.428
377 HA THR 52 HA THR 52 -4.274 4.524 -1.724
378 HB THR 52 HB THR 52 -3.574 7.472 -1.529
379 HG1 THR 52 HG1 THR 52 -5.249 6.649 -3.055
380 HG21 THR 52 HG21 THR 52 -2.058 5.228 -2.920
381 HG22 THR 52 HG22 THR 52 -1.465 6.281 -1.611
382 HG23 THR 52 HG23 THR 52 -1.799 6.970 -3.192
383 H PHE 53 H PHE 53 -2.235 3.984 -0.824
384 HA PHE 53 HA PHE 53 -1.730 4.693 2.008
385 HB2 PHE 53 HB2 PHE 53 -1.716 2.019 0.517
386 HB3 PHE 53 HB3 PHE 53 -0.883 2.239 2.020
387 HD1 PHE 53 HD2 PHE 53 -2.112 2.555 4.157
388 HD2 PHE 53 HD1 PHE 53 -4.094 1.921 0.419
389 HE1 PHE 53 HE2 PHE 53 -4.131 1.780 5.394
390 HE2 PHE 53 HE1 PHE 53 -6.153 1.106 1.650
391 HZ PHE 53 HZ PHE 53 -6.139 1.028 4.137
392 H THR 54 H THR 54 0.584 4.981 2.380
393 HA THR 54 HA THR 54 2.323 4.434 0.051
394 HB THR 54 HB THR 54 2.367 7.027 1.639
395 HG1 THR 54 HG1 THR 54 1.005 7.709 0.253
396 HG21 THR 54 HG21 THR 54 3.998 7.734 -0.048
397 HG22 THR 54 HG22 THR 54 3.954 6.128 -0.799
398 HG23 THR 54 HG23 THR 54 4.577 6.324 0.842
399 H VAL 55 H VAL 55 4.264 3.509 0.717
400 HA VAL 55 HA VAL 55 4.750 3.365 3.662
401 HB VAL 55 HB VAL 55 3.958 1.243 3.039
402 HG11 VAL 55 HG11 VAL 55 4.901 -0.217 1.386
403 HG12 VAL 55 HG12 VAL 55 4.294 1.256 0.615
404 HG13 VAL 55 HG13 VAL 55 6.038 1.038 0.859
405 HG21 VAL 55 HG21 VAL 55 5.851 1.299 4.603
406 HG22 VAL 55 HG22 VAL 55 5.898 -0.180 3.618
407 HG23 VAL 55 HG23 VAL 55 7.004 1.158 3.255
408 H THR 56 H THR 56 6.424 4.611 4.118
409 HA THR 56 HA THR 56 8.437 5.134 2.026
410 HB THR 56 HB THR 56 8.711 6.471 4.651
411 HG1 THR 56 HG1 THR 56 6.512 6.641 4.514
412 HG21 THR 56 HG21 THR 56 10.139 6.988 2.736
413 HG22 THR 56 HG22 THR 56 9.124 8.390 3.123
414 HG23 THR 56 HG23 THR 56 8.726 7.372 1.728
415 H GLU 57 H GLU 57 9.848 3.335 2.085
416 HA GLU 57 HA GLU 57 10.394 1.611 4.268
417 HB2 GLU 57 HB2 GLU 57 10.815 1.264 1.714
418 HB3 GLU 57 HB3 GLU 57 12.222 2.254 2.000
419 HG2 GLU 57 HG2 GLU 57 12.183 0.201 3.975
420 HG3 GLU 57 HG3 GLU 57 11.904 -0.518 2.388
Start of MODEL 5
1 H1 MET 1 H MET 1 -16.989 -0.106 0.685
2 HA MET 1 HA MET 1 -14.596 -1.727 0.118
3 HB2 MET 1 HB2 MET 1 -16.751 -2.928 -0.232
4 HB3 MET 1 HB3 MET 1 -17.211 -1.742 -1.454
5 HG2 MET 1 HG2 MET 1 -15.665 -2.590 -3.007
6 HG3 MET 1 HG3 MET 1 -14.595 -3.178 -1.750
7 HE1 MET 1 HE1 MET 1 -14.445 -5.045 -3.848
8 HE2 MET 1 HE2 MET 1 -13.924 -5.433 -2.194
9 HE3 MET 1 HE3 MET 1 -14.900 -6.601 -3.103
10 H GLY 2 H GLY 2 -14.139 -1.333 -2.519
11 HA2 GLY 2 HA2 GLY 2 -14.443 0.651 -4.114
12 HA3 GLY 2 HA3 GLY 2 -13.727 1.566 -2.779
13 H THR 3 H THR 3 -12.346 1.699 -4.983
14 HA THR 3 HA THR 3 -10.324 -0.422 -5.182
15 HB THR 3 HB THR 3 -10.503 2.245 -6.633
16 HG1 THR 3 HG1 THR 3 -11.639 1.177 -8.181
17 HG21 THR 3 HG21 THR 3 -9.206 1.049 -8.379
18 HG22 THR 3 HG22 THR 3 -9.175 -0.413 -7.367
19 HG23 THR 3 HG23 THR 3 -8.329 1.059 -6.847
20 H TYR 4 H TYR 4 -8.400 -0.302 -4.125
21 HA TYR 4 HA TYR 4 -7.690 2.221 -2.743
22 HB2 TYR 4 HB2 TYR 4 -7.339 -0.713 -2.037
23 HB3 TYR 4 HB3 TYR 4 -6.373 0.541 -1.303
24 HD1 TYR 4 HD1 TYR 4 -7.327 2.317 0.085
25 HD2 TYR 4 HD2 TYR 4 -9.706 -0.953 -1.377
26 HE1 TYR 4 HE1 TYR 4 -9.003 2.787 1.823
27 HE2 TYR 4 HE2 TYR 4 -11.402 -0.505 0.376
28 HH TYR 4 HH TYR 4 -11.138 2.310 2.634
29 H LYS 5 H LYS 5 -5.327 2.635 -2.699
30 HA LYS 5 HA LYS 5 -3.731 1.309 -4.843
31 HB2 LYS 5 HB2 LYS 5 -4.610 3.560 -5.602
32 HB3 LYS 5 HB3 LYS 5 -3.832 4.278 -4.199
33 HG2 LYS 5 HG2 LYS 5 -1.590 3.360 -5.113
34 HG3 LYS 5 HG3 LYS 5 -2.456 2.964 -6.580
35 HD2 LYS 5 HD2 LYS 5 -1.939 5.676 -5.313
36 HD3 LYS 5 HD3 LYS 5 -1.240 5.051 -6.796
37 HE2 LYS 5 HE2 LYS 5 -4.132 5.854 -6.305
38 HE3 LYS 5 HE3 LYS 5 -2.942 6.699 -7.292
39 HZ1 LYS 5 HZ1 LYS 5 -4.379 5.431 -8.695
40 HZ2 LYS 5 HZ2 LYS 5 -4.103 4.058 -7.868
41 HZ3 LYS 5 HZ3 LYS 5 -2.881 4.732 -8.742
42 H LEU 6 H LEU 6 -1.551 1.122 -4.423
43 HA LEU 6 HA LEU 6 -0.577 1.906 -1.708
44 HB2 LEU 6 HB2 LEU 6 -0.839 -0.458 -1.738
45 HB3 LEU 6 HB3 LEU 6 -0.140 -0.578 -3.344
46 HG LEU 6 HG LEU 6 2.094 0.139 -2.360
47 HD11 LEU 6 HD11 LEU 6 0.509 0.068 0.236
48 HD12 LEU 6 HD12 LEU 6 1.450 1.413 -0.419
49 HD13 LEU 6 HD13 LEU 6 2.284 -0.016 0.169
50 HD21 LEU 6 HD21 LEU 6 0.677 -2.363 -1.476
51 HD22 LEU 6 HD22 LEU 6 2.336 -2.046 -0.962
52 HD23 LEU 6 HD23 LEU 6 1.938 -2.137 -2.686
53 H ILE 7 H ILE 7 1.273 2.975 -1.757
54 HA ILE 7 HA ILE 7 2.820 3.287 -4.280
55 HB ILE 7 HB ILE 7 2.229 5.332 -2.116
56 HG12 ILE 7 HG12 ILE 7 1.257 5.161 -5.004
57 HG13 ILE 7 HG13 ILE 7 0.283 5.005 -3.554
58 HG21 ILE 7 HG21 ILE 7 3.788 5.694 -4.740
59 HG22 ILE 7 HG22 ILE 7 3.572 6.903 -3.451
60 HG23 ILE 7 HG23 ILE 7 4.546 5.488 -3.150
61 HD11 ILE 7 HD11 ILE 7 0.748 7.349 -2.952
62 HD12 ILE 7 HD12 ILE 7 1.677 7.553 -4.461
63 HD13 ILE 7 HD13 ILE 7 -0.042 7.197 -4.538
64 H LEU 8 H LEU 8 4.548 2.050 -4.009
65 HA LEU 8 HA LEU 8 5.723 1.527 -1.354
66 HB2 LEU 8 HB2 LEU 8 6.468 0.586 -4.153
67 HB3 LEU 8 HB3 LEU 8 7.237 0.076 -2.674
68 HG LEU 8 HG LEU 8 4.348 -0.375 -3.341
69 HD11 LEU 8 HD11 LEU 8 6.713 -2.339 -3.378
70 HD12 LEU 8 HD12 LEU 8 5.980 -1.615 -4.823
71 HD13 LEU 8 HD13 LEU 8 5.032 -2.719 -3.820
72 HD21 LEU 8 HD21 LEU 8 4.549 -0.469 -0.991
73 HD22 LEU 8 HD22 LEU 8 6.062 -1.423 -1.064
74 HD23 LEU 8 HD23 LEU 8 4.510 -2.132 -1.563
75 H ASN 9 H ASN 9 6.846 3.232 -0.675
76 HA ASN 9 HA ASN 9 8.606 4.761 -2.570
77 HB2 ASN 9 HB2 ASN 9 7.251 5.521 0.037
78 HB3 ASN 9 HB3 ASN 9 8.679 6.378 -0.528
79 HD21 ASN 9 HD21 ASN 9 6.512 7.901 -0.145
80 HD22 ASN 9 HD22 ASN 9 5.915 8.378 -1.711
81 H GLY 10 H GLY 10 10.109 2.740 -2.379
82 HA2 GLY 10 HA2 GLY 10 11.351 2.622 0.235
83 HA3 GLY 10 HA3 GLY 10 11.626 1.493 -1.070
84 H LYS 11 H LYS 11 13.533 2.350 0.511
85 HA LYS 11 HA LYS 11 15.146 4.560 -0.447
86 HB2 LYS 11 HB2 LYS 11 16.004 2.055 1.087
87 HB3 LYS 11 HB3 LYS 11 16.955 3.513 0.878
88 HG2 LYS 11 HG2 LYS 11 14.475 3.137 2.551
89 HG3 LYS 11 HG3 LYS 11 16.101 3.621 3.066
90 HD2 LYS 11 HD2 LYS 11 14.071 5.199 1.500
91 HD3 LYS 11 HD3 LYS 11 14.607 5.504 3.148
92 HE2 LYS 11 HE2 LYS 11 16.661 6.406 2.449
93 HE3 LYS 11 HE3 LYS 11 16.508 5.743 0.810
94 HZ1 LYS 11 HZ1 LYS 11 14.739 7.238 0.351
95 HZ2 LYS 11 HZ2 LYS 11 15.950 8.136 1.000
96 HZ3 LYS 11 HZ3 LYS 11 14.637 7.738 1.913
97 H THR 12 H THR 12 14.759 1.207 -1.412
98 HA THR 12 HA THR 12 17.081 1.517 -3.272
99 HB THR 12 HB THR 12 17.004 -1.006 -3.246
100 HG1 THR 12 HG1 THR 12 15.350 -1.785 -2.267
101 HG21 THR 12 HG21 THR 12 18.216 -1.178 -1.119
102 HG22 THR 12 HG22 THR 12 17.563 0.381 -0.577
103 HG23 THR 12 HG23 THR 12 18.664 0.306 -1.969
104 H LEU 13 H LEU 13 13.627 0.446 -3.063
105 HA LEU 13 HA LEU 13 13.514 0.752 -6.032
106 HB2 LEU 13 HB2 LEU 13 13.769 -1.660 -5.475
107 HB3 LEU 13 HB3 LEU 13 12.409 -1.552 -4.367
108 HG LEU 13 HG LEU 13 10.874 -1.085 -6.270
109 HD11 LEU 13 HD11 LEU 13 11.762 -1.409 -8.603
110 HD12 LEU 13 HD12 LEU 13 13.396 -1.372 -7.931
111 HD13 LEU 13 HD13 LEU 13 12.349 0.062 -7.844
112 HD21 LEU 13 HD21 LEU 13 10.906 -3.296 -7.246
113 HD22 LEU 13 HD22 LEU 13 11.317 -3.418 -5.535
114 HD23 LEU 13 HD23 LEU 13 12.596 -3.540 -6.764
115 H LYS 14 H LYS 14 11.213 1.126 -6.731
116 HA LYS 14 HA LYS 14 9.340 1.920 -4.654
117 HB2 LYS 14 HB2 LYS 14 10.183 3.902 -6.834
118 HB3 LYS 14 HB3 LYS 14 8.744 4.003 -5.842
119 HG2 LYS 14 HG2 LYS 14 9.841 5.179 -4.345
120 HG3 LYS 14 HG3 LYS 14 10.730 3.742 -3.923
121 HD2 LYS 14 HD2 LYS 14 11.554 6.038 -5.675
122 HD3 LYS 14 HD3 LYS 14 12.331 5.403 -4.214
123 HE2 LYS 14 HE2 LYS 14 12.990 3.359 -5.467
124 HE3 LYS 14 HE3 LYS 14 12.252 4.055 -6.936
125 HZ1 LYS 14 HZ1 LYS 14 14.515 4.605 -7.037
126 HZ2 LYS 14 HZ2 LYS 14 14.590 5.050 -5.460
127 HZ3 LYS 14 HZ3 LYS 14 13.774 5.978 -6.552
128 H GLY 15 H GLY 15 7.160 1.851 -5.499
129 HA2 GLY 15 HA2 GLY 15 6.654 1.121 -8.255
130 HA3 GLY 15 HA3 GLY 15 6.551 -0.256 -7.148
131 H GLU 16 H GLU 16 4.225 0.285 -8.367
132 HA GLU 16 HA GLU 16 2.557 1.354 -6.200
133 HB2 GLU 16 HB2 GLU 16 2.610 2.461 -9.043
134 HB3 GLU 16 HB3 GLU 16 1.136 2.478 -8.062
135 HG2 GLU 16 HG2 GLU 16 2.326 3.747 -6.306
136 HG3 GLU 16 HG3 GLU 16 3.756 3.815 -7.342
137 H THR 17 H THR 17 0.403 0.527 -6.307
138 HA THR 17 HA THR 17 -0.392 -1.223 -8.447
139 HB THR 17 HB THR 17 1.144 -2.649 -7.136
140 HG1 THR 17 HG1 THR 17 -0.893 -3.423 -8.122
141 HG21 THR 17 HG21 THR 17 0.880 -1.786 -4.872
142 HG22 THR 17 HG22 THR 17 0.517 -3.513 -4.910
143 HG23 THR 17 HG23 THR 17 -0.816 -2.344 -4.828
144 H THR 18 H THR 18 -2.654 -1.948 -8.102
145 HA THR 18 HA THR 18 -4.131 -0.443 -6.044
146 HB THR 18 HB THR 18 -5.921 -0.276 -8.027
147 HG1 THR 18 HG1 THR 18 -4.518 -1.276 -9.664
148 HG21 THR 18 HG21 THR 18 -5.057 1.960 -8.514
149 HG22 THR 18 HG22 THR 18 -3.439 1.455 -7.924
150 HG23 THR 18 HG23 THR 18 -4.827 1.592 -6.805
151 H THR 19 H THR 19 -5.962 -1.522 -5.208
152 HA THR 19 HA THR 19 -6.656 -4.133 -6.296
153 HB THR 19 HB THR 19 -4.708 -4.449 -4.638
154 HG1 THR 19 HG1 THR 19 -6.468 -6.033 -5.200
155 HG21 THR 19 HG21 THR 19 -6.840 -4.125 -2.488
156 HG22 THR 19 HG22 THR 19 -5.703 -2.832 -2.874
157 HG23 THR 19 HG23 THR 19 -5.098 -4.391 -2.287
158 H GLU 20 H GLU 20 -8.821 -4.716 -5.740
159 HA GLU 20 HA GLU 20 -10.487 -2.551 -4.677
160 HB2 GLU 20 HB2 GLU 20 -11.179 -5.306 -5.824
161 HB3 GLU 20 HB3 GLU 20 -12.314 -4.014 -5.409
162 HG2 GLU 20 HG2 GLU 20 -12.032 -3.883 -7.755
163 HG3 GLU 20 HG3 GLU 20 -11.146 -2.535 -7.037
164 H ALA 21 H ALA 21 -10.829 -2.563 -2.465
165 HA ALA 21 HA ALA 21 -10.725 -5.243 -1.099
166 HB1 ALA 21 HB1 ALA 21 -8.702 -3.707 -0.714
167 HB2 ALA 21 HB2 ALA 21 -9.844 -2.699 0.229
168 HB3 ALA 21 HB3 ALA 21 -9.538 -4.374 0.691
169 H VAL 22 H VAL 22 -12.196 -5.609 0.499
170 HA VAL 22 HA VAL 22 -14.689 -4.242 0.310
171 HB VAL 22 HB VAL 22 -15.388 -5.653 2.199
172 HG11 VAL 22 HG11 VAL 22 -15.093 -7.831 1.100
173 HG12 VAL 22 HG12 VAL 22 -15.437 -6.564 -0.078
174 HG13 VAL 22 HG13 VAL 22 -13.784 -7.175 0.093
175 HG21 VAL 22 HG21 VAL 22 -13.888 -7.326 3.178
176 HG22 VAL 22 HG22 VAL 22 -12.505 -6.642 2.302
177 HG23 VAL 22 HG23 VAL 22 -13.339 -5.703 3.566
178 H ASP 23 H ASP 23 -11.915 -3.793 2.468
179 HA ASP 23 HA ASP 23 -13.019 -1.298 3.495
180 HB2 ASP 23 HB2 ASP 23 -12.477 -3.739 5.240
181 HB3 ASP 23 HB3 ASP 23 -12.312 -2.095 5.862
182 H ALA 24 H ALA 24 -11.303 -0.123 4.650
183 HA ALA 24 HA ALA 24 -8.838 -0.132 3.317
184 HB1 ALA 24 HB1 ALA 24 -8.128 1.432 5.125
185 HB2 ALA 24 HB2 ALA 24 -9.730 1.836 4.503
186 HB3 ALA 24 HB3 ALA 24 -9.563 0.998 6.066
187 H ALA 25 H ALA 25 -9.874 -1.951 6.174
188 HA ALA 25 HA ALA 25 -7.283 -2.601 7.169
189 HB1 ALA 25 HB1 ALA 25 -9.246 -2.990 8.537
190 HB2 ALA 25 HB2 ALA 25 -10.000 -4.025 7.301
191 HB3 ALA 25 HB3 ALA 25 -8.562 -4.579 8.165
192 H THR 26 H THR 26 -9.485 -4.335 4.977
193 HA THR 26 HA THR 26 -7.797 -6.527 4.395
194 HB THR 26 HB THR 26 -9.819 -5.292 2.535
195 HG1 THR 26 HG1 THR 26 -10.989 -5.518 4.360
196 HG21 THR 26 HG21 THR 26 -8.483 -7.226 1.671
197 HG22 THR 26 HG22 THR 26 -10.207 -7.574 1.804
198 HG23 THR 26 HG23 THR 26 -9.083 -8.190 3.038
199 H ALA 27 H ALA 27 -8.186 -3.330 2.770
200 HA ALA 27 HA ALA 27 -6.382 -3.787 0.646
201 HB1 ALA 27 HB1 ALA 27 -7.911 -1.816 0.805
202 HB2 ALA 27 HB2 ALA 27 -6.941 -1.174 2.137
203 HB3 ALA 27 HB3 ALA 27 -6.226 -1.338 0.520
204 H GLU 28 H GLU 28 -5.792 -2.308 3.895
205 HA GLU 28 HA GLU 28 -3.069 -1.906 3.521
206 HB2 GLU 28 HB2 GLU 28 -4.458 -0.894 5.316
207 HB3 GLU 28 HB3 GLU 28 -4.479 -2.452 6.161
208 HG2 GLU 28 HG2 GLU 28 -2.054 -2.381 6.449
209 HG3 GLU 28 HG3 GLU 28 -1.912 -0.982 5.384
210 H LYS 29 H LYS 29 -4.716 -4.844 4.708
211 HA LYS 29 HA LYS 29 -2.244 -6.218 5.431
212 HB2 LYS 29 HB2 LYS 29 -4.977 -7.243 4.584
213 HB3 LYS 29 HB3 LYS 29 -3.662 -8.275 5.178
214 HG2 LYS 29 HG2 LYS 29 -3.702 -7.135 7.343
215 HG3 LYS 29 HG3 LYS 29 -5.032 -6.120 6.811
216 HD2 LYS 29 HD2 LYS 29 -5.053 -9.114 7.333
217 HD3 LYS 29 HD3 LYS 29 -5.979 -7.835 8.115
218 HE2 LYS 29 HE2 LYS 29 -7.591 -8.821 6.775
219 HE3 LYS 29 HE3 LYS 29 -7.070 -7.445 5.807
220 HZ1 LYS 29 HZ1 LYS 29 -5.693 -9.053 4.506
221 HZ2 LYS 29 HZ2 LYS 29 -7.254 -9.509 4.497
222 HZ3 LYS 29 HZ3 LYS 29 -6.204 -10.277 5.448
223 H VAL 30 H VAL 30 -4.349 -6.332 2.454
224 HA VAL 30 HA VAL 30 -2.748 -8.161 1.027
225 HB VAL 30 HB VAL 30 -4.631 -5.924 0.185
226 HG11 VAL 30 HG11 VAL 30 -3.289 -7.880 -1.730
227 HG12 VAL 30 HG12 VAL 30 -4.644 -6.810 -2.116
228 HG13 VAL 30 HG13 VAL 30 -3.073 -6.117 -1.723
229 HG21 VAL 30 HG21 VAL 30 -5.561 -7.943 1.247
230 HG22 VAL 30 HG22 VAL 30 -6.027 -7.881 -0.456
231 HG23 VAL 30 HG23 VAL 30 -4.701 -8.960 0.068
232 H PHE 31 H PHE 31 -2.611 -4.595 1.134
233 HA PHE 31 HA PHE 31 -0.334 -4.351 -0.551
234 HB2 PHE 31 HB2 PHE 31 -1.622 -2.587 1.551
235 HB3 PHE 31 HB3 PHE 31 -0.285 -2.059 0.547
236 HD1 PHE 31 HD1 PHE 31 -1.558 -3.741 -2.042
237 HD2 PHE 31 HD2 PHE 31 -2.891 -0.657 0.693
238 HE1 PHE 31 HE1 PHE 31 -2.939 -2.793 -3.799
239 HE2 PHE 31 HE2 PHE 31 -4.252 0.311 -1.124
240 HZ PHE 31 HZ PHE 31 -4.277 -0.758 -3.383
241 H LYS 32 H LYS 32 -0.544 -4.690 3.059
242 HA LYS 32 HA LYS 32 2.228 -4.315 3.550
243 HB2 LYS 32 HB2 LYS 32 -0.093 -5.538 4.959
244 HB3 LYS 32 HB3 LYS 32 1.423 -6.296 5.332
245 HG2 LYS 32 HG2 LYS 32 1.718 -3.366 5.318
246 HG3 LYS 32 HG3 LYS 32 0.427 -3.877 6.417
247 HD2 LYS 32 HD2 LYS 32 1.939 -5.357 7.595
248 HD3 LYS 32 HD3 LYS 32 3.155 -5.199 6.333
249 HE2 LYS 32 HE2 LYS 32 4.028 -3.890 8.045
250 HE3 LYS 32 HE3 LYS 32 3.323 -2.721 6.936
251 HZ1 LYS 32 HZ1 LYS 32 2.007 -3.698 9.398
252 HZ2 LYS 32 HZ2 LYS 32 1.456 -2.477 8.406
253 HZ3 LYS 32 HZ3 LYS 32 2.836 -2.292 9.268
254 H GLN 33 H GLN 33 0.443 -7.305 2.669
255 HA GLN 33 HA GLN 33 2.787 -8.901 2.704
256 HB2 GLN 33 HB2 GLN 33 0.317 -9.672 2.653
257 HB3 GLN 33 HB3 GLN 33 0.347 -9.282 0.932
258 HG2 GLN 33 HG2 GLN 33 0.828 -11.559 0.933
259 HG3 GLN 33 HG3 GLN 33 2.435 -10.878 0.820
260 HE21 GLN 33 HE21 GLN 33 3.822 -10.950 2.813
261 HE22 GLN 33 HE22 GLN 33 3.395 -12.101 4.070
262 H TYR 34 H TYR 34 1.203 -6.956 0.138
263 HA TYR 34 HA TYR 34 2.941 -7.873 -1.944
264 HB2 TYR 34 HB2 TYR 34 0.728 -6.543 -2.132
265 HB3 TYR 34 HB3 TYR 34 1.713 -5.098 -1.923
266 HD1 TYR 34 HD1 TYR 34 1.186 -8.151 -4.003
267 HD2 TYR 34 HD2 TYR 34 3.069 -4.267 -3.812
268 HE1 TYR 34 HE1 TYR 34 1.785 -8.325 -6.393
269 HE2 TYR 34 HE2 TYR 34 3.665 -4.441 -6.204
270 HH TYR 34 HH TYR 34 3.707 -5.856 -8.136
271 H ALA 35 H ALA 35 3.219 -5.093 0.247
272 HA ALA 35 HA ALA 35 5.593 -3.992 -0.930
273 HB1 ALA 35 HB1 ALA 35 5.824 -2.818 1.257
274 HB2 ALA 35 HB2 ALA 35 4.183 -2.722 0.600
275 HB3 ALA 35 HB3 ALA 35 4.560 -3.876 1.912
276 H ASN 36 H ASN 36 5.108 -6.152 1.890
277 HA ASN 36 HA ASN 36 7.865 -6.584 2.406
278 HB2 ASN 36 HB2 ASN 36 6.993 -7.694 4.118
279 HB3 ASN 36 HB3 ASN 36 5.395 -7.628 3.410
280 HD21 ASN 36 HD21 ASN 36 4.987 -9.362 1.637
281 HD22 ASN 36 HD22 ASN 36 5.678 -10.924 1.899
282 H ASP 37 H ASP 37 5.730 -8.041 -0.057
283 HA ASP 37 HA ASP 37 7.489 -10.182 -0.777
284 HB2 ASP 37 HB2 ASP 37 5.081 -10.064 -1.355
285 HB3 ASP 37 HB3 ASP 37 5.430 -8.785 -2.526
286 H ASN 38 H ASN 38 7.231 -6.782 -1.744
287 HA ASN 38 HA ASN 38 9.378 -6.952 -3.762
288 HB2 ASN 38 HB2 ASN 38 7.853 -4.593 -2.541
289 HB3 ASN 38 HB3 ASN 38 9.153 -4.422 -3.720
290 HD21 ASN 38 HD21 ASN 38 5.910 -5.860 -3.298
291 HD22 ASN 38 HD22 ASN 38 5.427 -5.605 -4.936
292 H GLY 39 H GLY 39 9.337 -6.993 -0.394
293 HA2 GLY 39 HA2 GLY 39 10.965 -6.748 1.190
294 HA3 GLY 39 HA3 GLY 39 12.128 -6.399 -0.110
295 H VAL 40 H VAL 40 9.069 -4.706 0.798
296 HA VAL 40 HA VAL 40 10.630 -2.259 1.437
297 HB VAL 40 HB VAL 40 7.807 -2.507 0.342
298 HG11 VAL 40 HG11 VAL 40 8.025 -0.059 -0.057
299 HG12 VAL 40 HG12 VAL 40 8.149 -0.464 1.657
300 HG13 VAL 40 HG13 VAL 40 9.618 -0.083 0.734
301 HG21 VAL 40 HG21 VAL 40 8.600 -1.695 -1.765
302 HG22 VAL 40 HG22 VAL 40 10.288 -1.614 -1.181
303 HG23 VAL 40 HG23 VAL 40 9.461 -3.181 -1.397
304 H ASP 41 H ASP 41 10.455 -1.738 3.543
305 HA ASP 41 HA ASP 41 7.943 -2.190 5.001
306 HB2 ASP 41 HB2 ASP 41 9.040 -4.345 5.268
307 HB3 ASP 41 HB3 ASP 41 10.533 -3.544 5.776
308 H GLY 42 H GLY 42 7.727 -0.042 5.328
309 HA2 GLY 42 HA2 GLY 42 9.690 1.316 7.067
310 HA3 GLY 42 HA3 GLY 42 9.168 2.038 5.535
311 H GLU 43 H GLU 43 8.301 3.802 6.641
312 HA GLU 43 HA GLU 43 6.168 3.436 8.584
313 HB2 GLU 43 HB2 GLU 43 7.689 5.358 8.770
314 HB3 GLU 43 HB3 GLU 43 7.175 5.969 7.189
315 HG2 GLU 43 HG2 GLU 43 4.911 6.379 8.001
316 HG3 GLU 43 HG3 GLU 43 5.239 5.500 9.495
317 H TRP 44 H TRP 44 4.251 2.804 8.011
318 HA TRP 44 HA TRP 44 3.191 3.173 5.320
319 HB2 TRP 44 HB2 TRP 44 2.108 1.775 7.792
320 HB3 TRP 44 HB3 TRP 44 1.265 1.897 6.250
321 HD1 TRP 44 HD1 TRP 44 4.594 0.424 7.618
322 HE1 TRP 44 HE1 TRP 44 5.370 -1.488 6.120
323 HE3 TRP 44 HE3 TRP 44 0.854 0.579 4.136
324 HZ2 TRP 44 HZ2 TRP 44 4.442 -2.822 3.774
325 HZ3 TRP 44 HZ3 TRP 44 0.876 -1.010 2.218
326 HH2 TRP 44 HH2 TRP 44 2.593 -2.716 2.047
327 H THR 45 H THR 45 1.720 4.702 4.769
328 HA THR 45 HA THR 45 0.322 6.318 6.828
329 HB THR 45 HB THR 45 0.628 8.238 5.389
330 HG1 THR 45 HG1 THR 45 1.713 7.988 3.415
331 HG21 THR 45 HG21 THR 45 2.656 7.595 6.793
332 HG22 THR 45 HG22 THR 45 3.023 8.552 5.351
333 HG23 THR 45 HG23 THR 45 3.332 6.804 5.352
334 H TYR 46 H TYR 46 -1.665 7.615 5.573
335 HA TYR 46 HA TYR 46 -2.902 5.897 3.557
336 HB2 TYR 46 HB2 TYR 46 -3.580 4.834 5.665
337 HB3 TYR 46 HB3 TYR 46 -4.123 6.383 6.297
338 HD1 TYR 46 HD1 TYR 46 -4.629 4.330 3.167
339 HD2 TYR 46 HD2 TYR 46 -6.448 6.700 6.278
340 HE1 TYR 46 HE1 TYR 46 -6.825 4.011 2.099
341 HE2 TYR 46 HE2 TYR 46 -8.666 6.320 5.272
342 HH TYR 46 HH TYR 46 -9.806 5.473 3.482
343 H ASP 47 H ASP 47 -4.380 6.983 2.336
344 HA ASP 47 HA ASP 47 -4.966 9.852 2.879
345 HB2 ASP 47 HB2 ASP 47 -3.898 8.571 0.317
346 HB3 ASP 47 HB3 ASP 47 -4.622 10.167 0.387
347 H ASP 48 H ASP 48 -7.172 9.079 3.465
348 HA ASP 48 HA ASP 48 -8.707 7.297 1.846
349 HB2 ASP 48 HB2 ASP 48 -9.174 8.394 4.234
350 HB3 ASP 48 HB3 ASP 48 -10.146 9.512 3.299
351 H ALA 49 H ALA 49 -8.066 10.654 1.591
352 HA ALA 49 HA ALA 49 -10.010 11.723 -0.093
353 HB1 ALA 49 HB1 ALA 49 -8.229 13.253 -0.855
354 HB2 ALA 49 HB2 ALA 49 -8.108 12.950 0.882
355 HB3 ALA 49 HB3 ALA 49 -6.993 12.129 -0.235
356 H THR 50 H THR 50 -7.525 9.447 -0.966
357 HA THR 50 HA THR 50 -8.614 9.109 -3.691
358 HB THR 50 HB THR 50 -6.795 10.598 -4.089
359 HG1 THR 50 HG1 THR 50 -5.628 9.375 -5.474
360 HG21 THR 50 HG21 THR 50 -4.416 9.959 -3.389
361 HG22 THR 50 HG22 THR 50 -5.173 8.827 -2.236
362 HG23 THR 50 HG23 THR 50 -5.475 10.563 -2.117
363 H LYS 51 H LYS 51 -8.382 7.820 -0.809
364 HA LYS 51 HA LYS 51 -8.066 5.853 0.190
365 HB2 LYS 51 HB2 LYS 51 -9.269 4.789 -2.400
366 HB3 LYS 51 HB3 LYS 51 -9.358 4.049 -0.795
367 HG2 LYS 51 HG2 LYS 51 -10.478 6.167 0.008
368 HG3 LYS 51 HG3 LYS 51 -10.569 6.713 -1.676
369 HD2 LYS 51 HD2 LYS 51 -12.684 5.864 -1.356
370 HD3 LYS 51 HD3 LYS 51 -11.849 4.540 -2.133
371 HE2 LYS 51 HE2 LYS 51 -13.111 3.606 -0.307
372 HE3 LYS 51 HE3 LYS 51 -11.412 3.562 0.163
373 HZ1 LYS 51 HZ1 LYS 51 -12.546 4.407 2.019
374 HZ2 LYS 51 HZ2 LYS 51 -13.478 5.433 1.135
375 HZ3 LYS 51 HZ3 LYS 51 -11.900 5.747 1.352
376 H THR 52 H THR 52 -5.717 6.685 -0.439
377 HA THR 52 HA THR 52 -4.282 4.428 -1.732
378 HB THR 52 HB THR 52 -3.639 7.389 -1.555
379 HG1 THR 52 HG1 THR 52 -5.279 6.511 -3.133
380 HG21 THR 52 HG21 THR 52 -1.810 6.893 -3.149
381 HG22 THR 52 HG22 THR 52 -2.058 5.150 -2.868
382 HG23 THR 52 HG23 THR 52 -1.522 6.226 -1.558
383 H PHE 53 H PHE 53 -2.209 3.913 -0.798
384 HA PHE 53 HA PHE 53 -1.710 4.598 2.054
385 HB2 PHE 53 HB2 PHE 53 -1.712 1.932 0.549
386 HB3 PHE 53 HB3 PHE 53 -0.874 2.151 2.045
387 HD1 PHE 53 HD2 PHE 53 -2.082 2.419 4.192
388 HD2 PHE 53 HD1 PHE 53 -4.098 1.870 0.450
389 HE1 PHE 53 HE2 PHE 53 -4.111 1.658 5.425
390 HE2 PHE 53 HE1 PHE 53 -6.147 1.057 1.686
391 HZ PHE 53 HZ PHE 53 -6.125 0.957 4.163
392 H THR 54 H THR 54 0.585 4.806 2.451
393 HA THR 54 HA THR 54 2.327 4.307 0.115
394 HB THR 54 HB THR 54 2.575 6.780 1.833
395 HG1 THR 54 HG1 THR 54 0.667 7.048 0.836
396 HG21 THR 54 HG21 THR 54 3.881 7.615 -0.079
397 HG22 THR 54 HG22 THR 54 3.756 6.037 -0.849
398 HG23 THR 54 HG23 THR 54 4.594 6.172 0.684
399 H VAL 55 H VAL 55 4.304 3.395 0.745
400 HA VAL 55 HA VAL 55 4.790 3.203 3.694
401 HB VAL 55 HB VAL 55 4.026 1.083 3.039
402 HG11 VAL 55 HG11 VAL 55 4.431 1.156 0.605
403 HG12 VAL 55 HG12 VAL 55 6.171 0.928 0.909
404 HG13 VAL 55 HG13 VAL 55 5.020 -0.334 1.377
405 HG21 VAL 55 HG21 VAL 55 7.070 1.071 3.309
406 HG22 VAL 55 HG22 VAL 55 5.892 1.175 4.636
407 HG23 VAL 55 HG23 VAL 55 6.000 -0.297 3.643
408 H THR 56 H THR 56 6.421 4.513 4.159
409 HA THR 56 HA THR 56 8.380 5.085 2.046
410 HB THR 56 HB THR 56 8.583 6.471 4.650
411 HG1 THR 56 HG1 THR 56 6.466 6.725 4.519
412 HG21 THR 56 HG21 THR 56 10.085 6.834 2.731
413 HG22 THR 56 HG22 THR 56 9.166 8.308 3.128
414 HG23 THR 56 HG23 THR 56 8.709 7.318 1.725
415 H GLU 57 H GLU 57 9.932 3.435 2.065
416 HA GLU 57 HA GLU 57 10.870 2.056 4.430
417 HB2 GLU 57 HB2 GLU 57 11.009 1.403 1.774
418 HB3 GLU 57 HB3 GLU 57 12.441 2.395 1.935
419 HG2 GLU 57 HG2 GLU 57 12.965 0.777 3.937
420 HG3 GLU 57 HG3 GLU 57 11.819 -0.268 3.060
Start of MODEL 6
1 H1 MET 1 H MET 1 -17.010 0.072 -0.049
2 HA MET 1 HA MET 1 -14.516 -1.507 -0.186
3 HB2 MET 1 HB2 MET 1 -16.500 -2.912 -0.461
4 HB3 MET 1 HB3 MET 1 -17.080 -1.916 -1.777
5 HG2 MET 1 HG2 MET 1 -15.647 -2.859 -3.278
6 HG3 MET 1 HG3 MET 1 -14.348 -3.037 -2.106
7 HE1 MET 1 HE1 MET 1 -14.170 -5.207 -3.897
8 HE2 MET 1 HE2 MET 1 -13.384 -5.281 -2.307
9 HE3 MET 1 HE3 MET 1 -14.293 -6.678 -2.906
10 H GLY 2 H GLY 2 -13.915 -1.394 -2.849
11 HA2 GLY 2 HA2 GLY 2 -14.252 0.303 -4.692
12 HA3 GLY 2 HA3 GLY 2 -13.693 1.462 -3.453
13 H THR 3 H THR 3 -12.217 1.370 -5.621
14 HA THR 3 HA THR 3 -10.056 -0.566 -5.458
15 HB THR 3 HB THR 3 -10.196 1.959 -7.128
16 HG1 THR 3 HG1 THR 3 -11.382 -0.558 -7.806
17 HG21 THR 3 HG21 THR 3 -8.062 0.713 -7.184
18 HG22 THR 3 HG22 THR 3 -8.888 0.658 -8.747
19 HG23 THR 3 HG23 THR 3 -8.926 -0.760 -7.677
20 H TYR 4 H TYR 4 -8.282 -0.326 -4.275
21 HA TYR 4 HA TYR 4 -7.673 2.251 -2.950
22 HB2 TYR 4 HB2 TYR 4 -7.266 -0.684 -2.230
23 HB3 TYR 4 HB3 TYR 4 -6.338 0.576 -1.478
24 HD1 TYR 4 HD1 TYR 4 -7.317 2.251 0.010
25 HD2 TYR 4 HD2 TYR 4 -9.654 -1.007 -1.581
26 HE1 TYR 4 HE1 TYR 4 -8.889 2.478 1.892
27 HE2 TYR 4 HE2 TYR 4 -11.259 -0.757 0.244
28 HH TYR 4 HH TYR 4 -10.755 1.624 2.915
29 H LYS 5 H LYS 5 -5.312 2.695 -2.815
30 HA LYS 5 HA LYS 5 -3.659 1.421 -4.951
31 HB2 LYS 5 HB2 LYS 5 -4.539 3.594 -5.736
32 HB3 LYS 5 HB3 LYS 5 -3.952 4.365 -4.263
33 HG2 LYS 5 HG2 LYS 5 -1.588 3.701 -4.953
34 HG3 LYS 5 HG3 LYS 5 -2.253 3.156 -6.488
35 HD2 LYS 5 HD2 LYS 5 -2.381 5.989 -5.351
36 HD3 LYS 5 HD3 LYS 5 -1.211 5.397 -6.498
37 HE2 LYS 5 HE2 LYS 5 -2.581 6.311 -8.010
38 HE3 LYS 5 HE3 LYS 5 -3.378 4.735 -7.914
39 HZ1 LYS 5 HZ1 LYS 5 -4.825 6.741 -7.744
40 HZ2 LYS 5 HZ2 LYS 5 -4.137 7.098 -6.319
41 HZ3 LYS 5 HZ3 LYS 5 -5.030 5.715 -6.454
42 H LEU 6 H LEU 6 -1.477 1.228 -4.494
43 HA LEU 6 HA LEU 6 -0.568 2.015 -1.762
44 HB2 LEU 6 HB2 LEU 6 -0.861 -0.339 -1.706
45 HB3 LEU 6 HB3 LEU 6 -0.123 -0.540 -3.273
46 HG LEU 6 HG LEU 6 2.089 0.207 -2.261
47 HD11 LEU 6 HD11 LEU 6 0.424 0.176 0.292
48 HD12 LEU 6 HD12 LEU 6 1.369 1.523 -0.366
49 HD13 LEU 6 HD13 LEU 6 2.202 0.118 0.269
50 HD21 LEU 6 HD21 LEU 6 2.291 -1.941 -0.829
51 HD22 LEU 6 HD22 LEU 6 1.879 -2.087 -2.545
52 HD23 LEU 6 HD23 LEU 6 0.623 -2.257 -1.315
53 H ILE 7 H ILE 7 1.249 3.112 -1.800
54 HA ILE 7 HA ILE 7 2.852 3.331 -4.317
55 HB ILE 7 HB ILE 7 2.279 5.428 -2.202
56 HG12 ILE 7 HG12 ILE 7 1.356 5.218 -5.098
57 HG13 ILE 7 HG13 ILE 7 0.355 5.060 -3.666
58 HG21 ILE 7 HG21 ILE 7 4.600 5.591 -3.068
59 HG22 ILE 7 HG22 ILE 7 3.989 5.590 -4.738
60 HG23 ILE 7 HG23 ILE 7 3.665 6.942 -3.632
61 HD11 ILE 7 HD11 ILE 7 1.738 7.585 -4.611
62 HD12 ILE 7 HD12 ILE 7 0.011 7.243 -4.589
63 HD13 ILE 7 HD13 ILE 7 0.890 7.397 -3.044
64 H LEU 8 H LEU 8 4.590 2.143 -4.037
65 HA LEU 8 HA LEU 8 5.731 1.606 -1.370
66 HB2 LEU 8 HB2 LEU 8 6.437 0.661 -4.182
67 HB3 LEU 8 HB3 LEU 8 7.212 0.136 -2.724
68 HG LEU 8 HG LEU 8 4.333 -0.287 -3.382
69 HD11 LEU 8 HD11 LEU 8 5.940 -1.621 -4.809
70 HD12 LEU 8 HD12 LEU 8 5.040 -2.684 -3.723
71 HD13 LEU 8 HD13 LEU 8 6.713 -2.247 -3.342
72 HD21 LEU 8 HD21 LEU 8 5.963 -1.237 -1.024
73 HD22 LEU 8 HD22 LEU 8 4.444 -1.999 -1.548
74 HD23 LEU 8 HD23 LEU 8 4.438 -0.311 -1.049
75 H ASN 9 H ASN 9 6.814 3.324 -0.703
76 HA ASN 9 HA ASN 9 8.545 4.912 -2.586
77 HB2 ASN 9 HB2 ASN 9 7.237 5.585 0.079
78 HB3 ASN 9 HB3 ASN 9 8.660 6.458 -0.476
79 HD21 ASN 9 HD21 ASN 9 6.420 7.898 0.029
80 HD22 ASN 9 HD22 ASN 9 5.972 8.569 -1.514
81 H GLY 10 H GLY 10 9.983 2.840 -2.476
82 HA2 GLY 10 HA2 GLY 10 11.413 2.705 0.046
83 HA3 GLY 10 HA3 GLY 10 11.622 1.625 -1.296
84 H LYS 11 H LYS 11 13.503 2.735 0.348
85 HA LYS 11 HA LYS 11 15.040 4.881 -0.924
86 HB2 LYS 11 HB2 LYS 11 15.675 2.857 1.278
87 HB3 LYS 11 HB3 LYS 11 16.757 4.178 0.793
88 HG2 LYS 11 HG2 LYS 11 15.189 5.867 1.533
89 HG3 LYS 11 HG3 LYS 11 13.910 4.661 1.756
90 HD2 LYS 11 HD2 LYS 11 14.759 5.204 3.896
91 HD3 LYS 11 HD3 LYS 11 15.214 3.552 3.504
92 HE2 LYS 11 HE2 LYS 11 17.511 4.402 2.895
93 HE3 LYS 11 HE3 LYS 11 16.990 6.014 3.445
94 HZ1 LYS 11 HZ1 LYS 11 16.367 4.811 5.573
95 HZ2 LYS 11 HZ2 LYS 11 17.983 5.070 5.337
96 HZ3 LYS 11 HZ3 LYS 11 17.299 3.583 5.085
97 H THR 12 H THR 12 14.575 1.574 -1.326
98 HA THR 12 HA THR 12 17.143 1.028 -2.732
99 HB THR 12 HB THR 12 16.283 -1.358 -2.531
100 HG1 THR 12 HG1 THR 12 14.494 -0.290 -0.550
101 HG21 THR 12 HG21 THR 12 16.896 -1.607 -0.199
102 HG22 THR 12 HG22 THR 12 16.675 0.137 0.099
103 HG23 THR 12 HG23 THR 12 17.969 -0.439 -0.980
104 H LEU 13 H LEU 13 13.644 0.316 -3.067
105 HA LEU 13 HA LEU 13 13.737 0.836 -6.006
106 HB2 LEU 13 HB2 LEU 13 14.030 -1.584 -5.720
107 HB3 LEU 13 HB3 LEU 13 12.700 -1.621 -4.557
108 HG LEU 13 HG LEU 13 11.085 -1.118 -6.320
109 HD11 LEU 13 HD11 LEU 13 12.479 0.281 -7.850
110 HD12 LEU 13 HD12 LEU 13 11.689 -1.042 -8.693
111 HD13 LEU 13 HD13 LEU 13 13.411 -1.161 -8.264
112 HD21 LEU 13 HD21 LEU 13 11.118 -3.180 -7.502
113 HD22 LEU 13 HD22 LEU 13 11.798 -3.500 -5.912
114 HD23 LEU 13 HD23 LEU 13 12.873 -3.355 -7.327
115 H LYS 14 H LYS 14 11.440 1.219 -6.803
116 HA LYS 14 HA LYS 14 9.507 1.916 -4.680
117 HB2 LYS 14 HB2 LYS 14 10.202 3.823 -6.956
118 HB3 LYS 14 HB3 LYS 14 8.880 3.957 -5.817
119 HG2 LYS 14 HG2 LYS 14 10.157 5.046 -4.364
120 HG3 LYS 14 HG3 LYS 14 11.166 3.652 -4.185
121 HD2 LYS 14 HD2 LYS 14 11.584 5.940 -6.126
122 HD3 LYS 14 HD3 LYS 14 12.451 5.575 -4.640
123 HE2 LYS 14 HE2 LYS 14 13.960 4.812 -6.179
124 HE3 LYS 14 HE3 LYS 14 13.093 3.319 -5.783
125 HZ1 LYS 14 HZ1 LYS 14 12.561 5.051 -8.143
126 HZ2 LYS 14 HZ2 LYS 14 11.870 3.589 -7.883
127 HZ3 LYS 14 HZ3 LYS 14 13.451 3.669 -8.184
128 H GLY 15 H GLY 15 7.307 1.986 -5.511
129 HA2 GLY 15 HA2 GLY 15 6.763 1.190 -8.228
130 HA3 GLY 15 HA3 GLY 15 6.612 -0.167 -7.099
131 H GLU 16 H GLU 16 4.367 0.362 -8.342
132 HA GLU 16 HA GLU 16 2.636 1.480 -6.252
133 HB2 GLU 16 HB2 GLU 16 2.781 2.493 -9.125
134 HB3 GLU 16 HB3 GLU 16 1.258 2.485 -8.234
135 HG2 GLU 16 HG2 GLU 16 2.356 3.857 -6.452
136 HG3 GLU 16 HG3 GLU 16 3.744 4.062 -7.536
137 H THR 17 H THR 17 0.558 0.543 -6.305
138 HA THR 17 HA THR 17 -0.230 -1.262 -8.420
139 HB THR 17 HB THR 17 1.211 -2.686 -7.004
140 HG1 THR 17 HG1 THR 17 -0.368 -3.945 -7.763
141 HG21 THR 17 HG21 THR 17 -0.768 -2.192 -4.742
142 HG22 THR 17 HG22 THR 17 0.900 -1.592 -4.798
143 HG23 THR 17 HG23 THR 17 0.589 -3.331 -4.724
144 H THR 18 H THR 18 -2.452 -1.921 -8.106
145 HA THR 18 HA THR 18 -4.016 -0.332 -6.179
146 HB THR 18 HB THR 18 -5.710 -0.078 -8.119
147 HG1 THR 18 HG1 THR 18 -3.400 -0.894 -9.509
148 HG21 THR 18 HG21 THR 18 -4.697 2.031 -8.839
149 HG22 THR 18 HG22 THR 18 -3.103 1.491 -8.240
150 HG23 THR 18 HG23 THR 18 -4.444 1.780 -7.111
151 H THR 19 H THR 19 -5.795 -1.528 -5.342
152 HA THR 19 HA THR 19 -6.379 -4.137 -6.460
153 HB THR 19 HB THR 19 -4.322 -4.206 -4.782
154 HG1 THR 19 HG1 THR 19 -4.738 -6.250 -4.502
155 HG21 THR 19 HG21 THR 19 -6.622 -4.501 -2.805
156 HG22 THR 19 HG22 THR 19 -5.681 -3.015 -2.985
157 HG23 THR 19 HG23 THR 19 -4.871 -4.509 -2.487
158 H GLU 20 H GLU 20 -8.461 -4.932 -5.517
159 HA GLU 20 HA GLU 20 -10.063 -2.653 -4.445
160 HB2 GLU 20 HB2 GLU 20 -10.687 -5.092 -6.125
161 HB3 GLU 20 HB3 GLU 20 -11.964 -4.210 -5.253
162 HG2 GLU 20 HG2 GLU 20 -11.339 -2.116 -6.290
163 HG3 GLU 20 HG3 GLU 20 -9.915 -2.822 -7.048
164 H ALA 21 H ALA 21 -10.712 -2.723 -2.373
165 HA ALA 21 HA ALA 21 -10.676 -5.336 -0.956
166 HB1 ALA 21 HB1 ALA 21 -9.666 -4.189 0.991
167 HB2 ALA 21 HB2 ALA 21 -8.576 -4.216 -0.430
168 HB3 ALA 21 HB3 ALA 21 -9.452 -2.742 0.001
169 H VAL 22 H VAL 22 -12.132 -5.524 0.674
170 HA VAL 22 HA VAL 22 -14.574 -4.101 0.317
171 HB VAL 22 HB VAL 22 -14.276 -6.513 0.992
172 HG11 VAL 22 HG11 VAL 22 -14.104 -5.433 3.839
173 HG12 VAL 22 HG12 VAL 22 -14.188 -7.121 3.334
174 HG13 VAL 22 HG13 VAL 22 -12.750 -6.149 2.952
175 HG21 VAL 22 HG21 VAL 22 -16.441 -5.357 0.946
176 HG22 VAL 22 HG22 VAL 22 -16.376 -6.603 2.196
177 HG23 VAL 22 HG23 VAL 22 -16.235 -4.897 2.660
178 H ASP 23 H ASP 23 -12.004 -3.849 2.801
179 HA ASP 23 HA ASP 23 -12.977 -1.249 3.633
180 HB2 ASP 23 HB2 ASP 23 -12.985 -1.755 5.969
181 HB3 ASP 23 HB3 ASP 23 -14.199 -2.712 5.136
182 H ALA 24 H ALA 24 -11.346 -0.323 5.219
183 HA ALA 24 HA ALA 24 -8.810 -0.313 3.932
184 HB1 ALA 24 HB1 ALA 24 -9.753 1.647 5.106
185 HB2 ALA 24 HB2 ALA 24 -9.643 0.774 6.653
186 HB3 ALA 24 HB3 ALA 24 -8.168 1.208 5.770
187 H ALA 25 H ALA 25 -10.079 -2.507 6.401
188 HA ALA 25 HA ALA 25 -7.473 -2.993 7.543
189 HB1 ALA 25 HB1 ALA 25 -8.519 -4.800 8.756
190 HB2 ALA 25 HB2 ALA 25 -9.481 -3.324 8.882
191 HB3 ALA 25 HB3 ALA 25 -9.998 -4.644 7.796
192 H THR 26 H THR 26 -9.699 -4.704 5.250
193 HA THR 26 HA THR 26 -7.884 -6.826 4.582
194 HB THR 26 HB THR 26 -9.971 -5.374 2.925
195 HG1 THR 26 HG1 THR 26 -10.134 -7.794 4.411
196 HG21 THR 26 HG21 THR 26 -8.782 -8.101 2.347
197 HG22 THR 26 HG22 THR 26 -8.553 -6.634 1.382
198 HG23 THR 26 HG23 THR 26 -10.152 -7.360 1.495
199 H ALA 27 H ALA 27 -8.359 -3.495 3.275
200 HA ALA 27 HA ALA 27 -6.627 -3.757 1.124
201 HB1 ALA 27 HB1 ALA 27 -7.077 -1.216 2.796
202 HB2 ALA 27 HB2 ALA 27 -6.651 -1.288 1.082
203 HB3 ALA 27 HB3 ALA 27 -8.252 -1.816 1.617
204 H GLU 28 H GLU 28 -5.920 -2.512 4.389
205 HA GLU 28 HA GLU 28 -3.155 -2.053 3.899
206 HB2 GLU 28 HB2 GLU 28 -4.377 -0.986 5.696
207 HB3 GLU 28 HB3 GLU 28 -4.659 -2.542 6.488
208 HG2 GLU 28 HG2 GLU 28 -2.335 -2.773 7.049
209 HG3 GLU 28 HG3 GLU 28 -1.855 -1.503 5.938
210 H LYS 29 H LYS 29 -4.835 -5.010 5.001
211 HA LYS 29 HA LYS 29 -2.401 -6.457 5.669
212 HB2 LYS 29 HB2 LYS 29 -5.196 -7.383 4.788
213 HB3 LYS 29 HB3 LYS 29 -3.942 -8.480 5.358
214 HG2 LYS 29 HG2 LYS 29 -4.018 -7.631 7.579
215 HG3 LYS 29 HG3 LYS 29 -4.821 -6.152 7.085
216 HD2 LYS 29 HD2 LYS 29 -6.805 -7.734 6.359
217 HD3 LYS 29 HD3 LYS 29 -5.999 -8.920 7.401
218 HE2 LYS 29 HE2 LYS 29 -5.988 -7.160 9.218
219 HE3 LYS 29 HE3 LYS 29 -6.942 -6.123 8.148
220 HZ1 LYS 29 HZ1 LYS 29 -8.728 -7.776 8.243
221 HZ2 LYS 29 HZ2 LYS 29 -8.324 -7.365 9.773
222 HZ3 LYS 29 HZ3 LYS 29 -7.810 -8.772 9.166
223 H VAL 30 H VAL 30 -4.504 -6.409 2.721
224 HA VAL 30 HA VAL 30 -2.909 -8.184 1.208
225 HB VAL 30 HB VAL 30 -4.847 -5.948 0.496
226 HG11 VAL 30 HG11 VAL 30 -4.928 -6.809 -1.818
227 HG12 VAL 30 HG12 VAL 30 -3.365 -6.062 -1.463
228 HG13 VAL 30 HG13 VAL 30 -3.516 -7.832 -1.502
229 HG21 VAL 30 HG21 VAL 30 -4.872 -8.980 0.261
230 HG22 VAL 30 HG22 VAL 30 -5.653 -8.050 1.559
231 HG23 VAL 30 HG23 VAL 30 -6.248 -7.889 -0.099
232 H PHE 31 H PHE 31 -2.796 -4.582 1.365
233 HA PHE 31 HA PHE 31 -0.553 -4.411 -0.392
234 HB2 PHE 31 HB2 PHE 31 -1.766 -2.529 1.644
235 HB3 PHE 31 HB3 PHE 31 -0.367 -2.094 0.689
236 HD1 PHE 31 HD1 PHE 31 -1.625 -3.755 -1.937
237 HD2 PHE 31 HD2 PHE 31 -2.860 -0.528 0.679
238 HE1 PHE 31 HE1 PHE 31 -2.860 -2.769 -3.760
239 HE2 PHE 31 HE2 PHE 31 -4.126 0.455 -1.231
240 HZ PHE 31 HZ PHE 31 -4.122 -0.660 -3.448
241 H LYS 32 H LYS 32 -0.653 -4.763 3.193
242 HA LYS 32 HA LYS 32 2.136 -4.353 3.574
243 HB2 LYS 32 HB2 LYS 32 -0.052 -5.781 5.063
244 HB3 LYS 32 HB3 LYS 32 1.576 -6.328 5.362
245 HG2 LYS 32 HG2 LYS 32 1.754 -3.483 5.392
246 HG3 LYS 32 HG3 LYS 32 0.291 -3.870 6.292
247 HD2 LYS 32 HD2 LYS 32 1.533 -5.313 7.797
248 HD3 LYS 32 HD3 LYS 32 2.940 -5.295 6.744
249 HE2 LYS 32 HE2 LYS 32 3.296 -2.910 7.085
250 HE3 LYS 32 HE3 LYS 32 1.837 -2.783 8.076
251 HZ1 LYS 32 HZ1 LYS 32 4.128 -2.978 9.130
252 HZ2 LYS 32 HZ2 LYS 32 4.038 -4.556 8.857
253 HZ3 LYS 32 HZ3 LYS 32 2.874 -3.836 9.823
254 H GLN 33 H GLN 33 0.373 -7.342 2.749
255 HA GLN 33 HA GLN 33 2.687 -8.959 2.655
256 HB2 GLN 33 HB2 GLN 33 0.213 -9.693 2.647
257 HB3 GLN 33 HB3 GLN 33 0.194 -9.267 0.935
258 HG2 GLN 33 HG2 GLN 33 0.605 -11.560 0.901
259 HG3 GLN 33 HG3 GLN 33 2.225 -10.897 0.698
260 HE21 GLN 33 HE21 GLN 33 3.725 -10.997 2.659
261 HE22 GLN 33 HE22 GLN 33 3.319 -12.124 3.933
262 H TYR 34 H TYR 34 1.037 -6.980 0.181
263 HA TYR 34 HA TYR 34 2.658 -7.803 -2.021
264 HB2 TYR 34 HB2 TYR 34 0.463 -6.431 -2.006
265 HB3 TYR 34 HB3 TYR 34 1.475 -5.014 -1.756
266 HD1 TYR 34 HD2 TYR 34 3.272 -4.475 -3.555
267 HD2 TYR 34 HD1 TYR 34 0.213 -7.466 -4.120
268 HE1 TYR 34 HE2 TYR 34 3.714 -4.465 -6.004
269 HE2 TYR 34 HE1 TYR 34 0.598 -7.412 -6.559
270 HH TYR 34 HH TYR 34 3.277 -5.622 -8.053
271 H ALA 35 H ALA 35 3.068 -5.119 0.275
272 HA ALA 35 HA ALA 35 5.427 -4.059 -0.995
273 HB1 ALA 35 HB1 ALA 35 5.729 -2.827 1.111
274 HB2 ALA 35 HB2 ALA 35 4.059 -2.787 0.524
275 HB3 ALA 35 HB3 ALA 35 4.514 -3.872 1.872
276 H ASN 36 H ASN 36 5.032 -6.203 1.818
277 HA ASN 36 HA ASN 36 7.771 -6.675 2.350
278 HB2 ASN 36 HB2 ASN 36 6.872 -7.797 4.048
279 HB3 ASN 36 HB3 ASN 36 5.278 -7.710 3.319
280 HD21 ASN 36 HD21 ASN 36 4.906 -9.427 1.481
281 HD22 ASN 36 HD22 ASN 36 5.595 -10.996 1.748
282 H ASP 37 H ASP 37 5.682 -7.987 -0.156
283 HA ASP 37 HA ASP 37 7.313 -10.232 -0.917
284 HB2 ASP 37 HB2 ASP 37 4.935 -9.994 -1.605
285 HB3 ASP 37 HB3 ASP 37 5.388 -8.631 -2.628
286 H ASN 38 H ASN 38 7.067 -6.843 -1.946
287 HA ASN 38 HA ASN 38 9.224 -7.022 -3.908
288 HB2 ASN 38 HB2 ASN 38 7.723 -4.625 -2.753
289 HB3 ASN 38 HB3 ASN 38 8.946 -4.534 -4.018
290 HD21 ASN 38 HD21 ASN 38 5.690 -5.655 -3.292
291 HD22 ASN 38 HD22 ASN 38 5.226 -5.939 -4.911
292 H GLY 39 H GLY 39 9.196 -6.903 -0.541
293 HA2 GLY 39 HA2 GLY 39 10.945 -6.759 0.969
294 HA3 GLY 39 HA3 GLY 39 12.045 -6.305 -0.350
295 H VAL 40 H VAL 40 8.966 -4.604 0.373
296 HA VAL 40 HA VAL 40 10.502 -2.215 1.221
297 HB VAL 40 HB VAL 40 7.644 -2.438 0.196
298 HG11 VAL 40 HG11 VAL 40 7.885 0.024 -0.129
299 HG12 VAL 40 HG12 VAL 40 8.022 -0.450 1.573
300 HG13 VAL 40 HG13 VAL 40 9.486 -0.053 0.629
301 HG21 VAL 40 HG21 VAL 40 8.387 -1.543 -1.908
302 HG22 VAL 40 HG22 VAL 40 10.080 -1.570 -1.381
303 HG23 VAL 40 HG23 VAL 40 9.151 -3.090 -1.595
304 H ASP 41 H ASP 41 10.358 -1.772 3.348
305 HA ASP 41 HA ASP 41 7.846 -2.207 4.772
306 HB2 ASP 41 HB2 ASP 41 8.952 -4.378 5.084
307 HB3 ASP 41 HB3 ASP 41 10.397 -3.555 5.701
308 H GLY 42 H GLY 42 7.641 -0.067 5.217
309 HA2 GLY 42 HA2 GLY 42 9.696 1.265 6.844
310 HA3 GLY 42 HA3 GLY 42 9.090 1.990 5.346
311 H GLU 43 H GLU 43 8.341 3.738 6.592
312 HA GLU 43 HA GLU 43 6.215 3.383 8.556
313 HB2 GLU 43 HB2 GLU 43 7.801 5.227 8.763
314 HB3 GLU 43 HB3 GLU 43 7.257 5.917 7.217
315 HG2 GLU 43 HG2 GLU 43 4.994 6.263 8.137
316 HG3 GLU 43 HG3 GLU 43 5.442 5.422 9.624
317 H TRP 44 H TRP 44 4.261 2.820 7.960
318 HA TRP 44 HA TRP 44 3.211 3.277 5.281
319 HB2 TRP 44 HB2 TRP 44 2.122 1.825 7.726
320 HB3 TRP 44 HB3 TRP 44 1.280 1.974 6.187
321 HD1 TRP 44 HD1 TRP 44 4.546 0.404 7.586
322 HE1 TRP 44 HE1 TRP 44 5.300 -1.492 6.089
323 HE3 TRP 44 HE3 TRP 44 0.903 0.692 3.976
324 HZ2 TRP 44 HZ2 TRP 44 4.342 -2.873 3.784
325 HZ3 TRP 44 HZ3 TRP 44 0.799 -0.980 2.208
326 HH2 TRP 44 HH2 TRP 44 2.489 -2.752 2.053
327 H THR 45 H THR 45 1.745 4.806 4.756
328 HA THR 45 HA THR 45 0.284 6.386 6.805
329 HB THR 45 HB THR 45 0.631 8.317 5.420
330 HG1 THR 45 HG1 THR 45 1.664 8.175 3.446
331 HG21 THR 45 HG21 THR 45 2.661 7.598 6.824
332 HG22 THR 45 HG22 THR 45 3.020 8.640 5.433
333 HG23 THR 45 HG23 THR 45 3.338 6.897 5.343
334 H TYR 46 H TYR 46 -1.711 7.669 5.551
335 HA TYR 46 HA TYR 46 -2.913 6.032 3.453
336 HB2 TYR 46 HB2 TYR 46 -3.666 4.942 5.539
337 HB3 TYR 46 HB3 TYR 46 -4.213 6.490 6.167
338 HD1 TYR 46 HD1 TYR 46 -4.680 4.440 3.029
339 HD2 TYR 46 HD2 TYR 46 -6.567 6.778 6.110
340 HE1 TYR 46 HE1 TYR 46 -6.864 3.968 2.014
341 HE2 TYR 46 HE2 TYR 46 -8.791 6.261 5.133
342 HH TYR 46 HH TYR 46 -9.847 5.554 2.999
343 H ASP 47 H ASP 47 -4.338 7.200 2.252
344 HA ASP 47 HA ASP 47 -4.979 10.030 2.914
345 HB2 ASP 47 HB2 ASP 47 -3.802 8.948 0.310
346 HB3 ASP 47 HB3 ASP 47 -4.752 10.414 0.397
347 H ASP 48 H ASP 48 -7.053 9.203 3.494
348 HA ASP 48 HA ASP 48 -8.618 7.353 2.067
349 HB2 ASP 48 HB2 ASP 48 -9.016 8.390 4.381
350 HB3 ASP 48 HB3 ASP 48 -9.725 9.758 3.559
351 H ALA 49 H ALA 49 -8.200 10.704 1.675
352 HA ALA 49 HA ALA 49 -10.261 11.585 -0.018
353 HB1 ALA 49 HB1 ALA 49 -8.462 13.006 0.943
354 HB2 ALA 49 HB2 ALA 49 -7.300 12.265 -0.187
355 HB3 ALA 49 HB3 ALA 49 -8.632 13.288 -0.795
356 H THR 50 H THR 50 -7.564 9.510 -0.811
357 HA THR 50 HA THR 50 -8.604 9.143 -3.566
358 HB THR 50 HB THR 50 -6.850 10.790 -3.772
359 HG1 THR 50 HG1 THR 50 -7.003 8.919 -5.259
360 HG21 THR 50 HG21 THR 50 -5.534 10.496 -1.790
361 HG22 THR 50 HG22 THR 50 -4.457 10.166 -3.151
362 HG23 THR 50 HG23 THR 50 -5.154 8.831 -2.195
363 H LYS 51 H LYS 51 -8.493 7.736 -0.793
364 HA LYS 51 HA LYS 51 -8.063 5.718 0.122
365 HB2 LYS 51 HB2 LYS 51 -9.074 4.942 -2.656
366 HB3 LYS 51 HB3 LYS 51 -9.000 3.839 -1.273
367 HG2 LYS 51 HG2 LYS 51 -10.403 5.380 0.044
368 HG3 LYS 51 HG3 LYS 51 -10.602 6.437 -1.369
369 HD2 LYS 51 HD2 LYS 51 -11.741 4.768 -2.626
370 HD3 LYS 51 HD3 LYS 51 -11.343 3.490 -1.494
371 HE2 LYS 51 HE2 LYS 51 -13.239 5.839 -1.092
372 HE3 LYS 51 HE3 LYS 51 -13.630 4.107 -1.165
373 HZ1 LYS 51 HZ1 LYS 51 -12.561 3.770 0.880
374 HZ2 LYS 51 HZ2 LYS 51 -13.691 4.951 1.075
375 HZ3 LYS 51 HZ3 LYS 51 -12.105 5.372 1.039
376 H THR 52 H THR 52 -5.683 6.744 -0.441
377 HA THR 52 HA THR 52 -4.168 4.517 -1.707
378 HB THR 52 HB THR 52 -3.511 7.470 -1.510
379 HG1 THR 52 HG1 THR 52 -5.207 6.562 -3.023
380 HG21 THR 52 HG21 THR 52 -2.033 5.200 -2.902
381 HG22 THR 52 HG22 THR 52 -1.414 6.241 -1.599
382 HG23 THR 52 HG23 THR 52 -1.747 6.938 -3.181
383 H PHE 53 H PHE 53 -2.203 3.951 -0.766
384 HA PHE 53 HA PHE 53 -1.696 4.687 2.062
385 HB2 PHE 53 HB2 PHE 53 -1.666 1.979 0.648
386 HB3 PHE 53 HB3 PHE 53 -0.931 2.253 2.197
387 HD1 PHE 53 HD2 PHE 53 -2.343 2.705 4.220
388 HD2 PHE 53 HD1 PHE 53 -4.022 1.797 0.396
389 HE1 PHE 53 HE2 PHE 53 -4.405 1.895 5.354
390 HE2 PHE 53 HE1 PHE 53 -6.103 0.932 1.515
391 HZ PHE 53 HZ PHE 53 -6.283 0.982 3.999
392 H THR 54 H THR 54 0.599 4.960 2.406
393 HA THR 54 HA THR 54 2.311 4.346 0.078
394 HB THR 54 HB THR 54 2.285 6.961 1.616
395 HG1 THR 54 HG1 THR 54 1.174 7.802 0.022
396 HG21 THR 54 HG21 THR 54 3.832 6.174 -0.876
397 HG22 THR 54 HG22 THR 54 4.505 6.283 0.735
398 HG23 THR 54 HG23 THR 54 3.852 7.744 -0.047
399 H VAL 55 H VAL 55 4.280 3.480 0.707
400 HA VAL 55 HA VAL 55 4.821 3.355 3.653
401 HB VAL 55 HB VAL 55 4.030 1.245 3.043
402 HG11 VAL 55 HG11 VAL 55 4.305 1.258 0.620
403 HG12 VAL 55 HG12 VAL 55 6.061 1.074 0.814
404 HG13 VAL 55 HG13 VAL 55 4.961 -0.212 1.358
405 HG21 VAL 55 HG21 VAL 55 5.966 -0.210 3.561
406 HG22 VAL 55 HG22 VAL 55 7.075 1.125 3.212
407 HG23 VAL 55 HG23 VAL 55 5.939 1.247 4.578
408 H THR 56 H THR 56 6.489 4.576 4.147
409 HA THR 56 HA THR 56 8.523 5.194 2.110
410 HB THR 56 HB THR 56 8.858 6.487 4.748
411 HG1 THR 56 HG1 THR 56 6.702 6.537 4.895
412 HG21 THR 56 HG21 THR 56 10.049 7.106 2.699
413 HG22 THR 56 HG22 THR 56 9.043 8.450 3.281
414 HG23 THR 56 HG23 THR 56 8.520 7.482 1.888
415 H GLU 57 H GLU 57 9.947 3.461 2.060
416 HA GLU 57 HA GLU 57 10.762 1.787 4.242
417 HB2 GLU 57 HB2 GLU 57 10.873 1.463 1.629
418 HB3 GLU 57 HB3 GLU 57 12.391 2.362 1.816
419 HG2 GLU 57 HG2 GLU 57 12.628 0.339 3.684
420 HG3 GLU 57 HG3 GLU 57 11.699 -0.427 2.414
Start of MODEL 7
1 H1 MET 1 H MET 1 -15.727 0.621 0.735
2 HA MET 1 HA MET 1 -13.951 -1.445 -0.346
3 HB2 MET 1 HB2 MET 1 -16.382 -2.144 0.010
4 HB3 MET 1 HB3 MET 1 -16.830 -0.998 -1.250
5 HG2 MET 1 HG2 MET 1 -15.528 -2.218 -2.904
6 HG3 MET 1 HG3 MET 1 -14.791 -3.180 -1.664
7 HE1 MET 1 HE1 MET 1 -16.243 -5.875 -3.685
8 HE2 MET 1 HE2 MET 1 -15.064 -4.558 -3.756
9 HE3 MET 1 HE3 MET 1 -15.063 -5.657 -2.371
10 H GLY 2 H GLY 2 -13.689 -1.352 -2.776
11 HA2 GLY 2 HA2 GLY 2 -14.107 0.146 -4.734
12 HA3 GLY 2 HA3 GLY 2 -13.493 1.466 -3.717
13 H THR 3 H THR 3 -12.105 1.401 -5.817
14 HA THR 3 HA THR 3 -9.923 -0.543 -5.743
15 HB THR 3 HB THR 3 -10.092 2.013 -7.346
16 HG1 THR 3 HG1 THR 3 -10.662 -0.221 -8.750
17 HG21 THR 3 HG21 THR 3 -8.587 0.803 -8.904
18 HG22 THR 3 HG22 THR 3 -8.566 -0.589 -7.791
19 HG23 THR 3 HG23 THR 3 -7.872 0.972 -7.299
20 H TYR 4 H TYR 4 -8.418 -0.330 -4.330
21 HA TYR 4 HA TYR 4 -7.746 2.286 -3.080
22 HB2 TYR 4 HB2 TYR 4 -7.117 -0.578 -2.228
23 HB3 TYR 4 HB3 TYR 4 -6.497 0.882 -1.467
24 HD1 TYR 4 HD2 TYR 4 -9.513 -1.249 -1.899
25 HD2 TYR 4 HD1 TYR 4 -7.823 2.228 0.043
26 HE1 TYR 4 HE2 TYR 4 -11.539 -1.007 -0.564
27 HE2 TYR 4 HE1 TYR 4 -9.883 2.422 1.442
28 HH TYR 4 HH TYR 4 -12.209 1.635 1.680
29 H LYS 5 H LYS 5 -5.382 2.721 -2.939
30 HA LYS 5 HA LYS 5 -3.751 1.376 -5.037
31 HB2 LYS 5 HB2 LYS 5 -4.789 3.708 -5.600
32 HB3 LYS 5 HB3 LYS 5 -3.672 4.329 -4.413
33 HG2 LYS 5 HG2 LYS 5 -2.050 2.742 -6.094
34 HG3 LYS 5 HG3 LYS 5 -3.203 3.486 -7.192
35 HD2 LYS 5 HD2 LYS 5 -1.341 4.917 -5.257
36 HD3 LYS 5 HD3 LYS 5 -1.173 4.782 -7.014
37 HE2 LYS 5 HE2 LYS 5 -3.347 5.996 -7.292
38 HE3 LYS 5 HE3 LYS 5 -3.417 6.226 -5.535
39 HZ1 LYS 5 HZ1 LYS 5 -1.277 7.460 -5.748
40 HZ2 LYS 5 HZ2 LYS 5 -2.529 8.140 -6.551
41 HZ3 LYS 5 HZ3 LYS 5 -1.372 7.310 -7.373
42 H LEU 6 H LEU 6 -1.515 1.317 -4.608
43 HA LEU 6 HA LEU 6 -0.638 2.063 -1.842
44 HB2 LEU 6 HB2 LEU 6 -0.875 -0.408 -2.031
45 HB3 LEU 6 HB3 LEU 6 0.046 -0.355 -3.506
46 HG LEU 6 HG LEU 6 2.079 0.387 -2.255
47 HD11 LEU 6 HD11 LEU 6 0.293 0.099 0.199
48 HD12 LEU 6 HD12 LEU 6 1.071 1.574 -0.356
49 HD13 LEU 6 HD13 LEU 6 2.066 0.253 0.241
50 HD21 LEU 6 HD21 LEU 6 1.907 -1.936 -2.667
51 HD22 LEU 6 HD22 LEU 6 0.768 -2.180 -1.334
52 HD23 LEU 6 HD23 LEU 6 2.447 -1.741 -1.001
53 H ILE 7 H ILE 7 1.301 2.991 -1.742
54 HA ILE 7 HA ILE 7 2.823 3.417 -4.245
55 HB ILE 7 HB ILE 7 2.382 5.385 -1.990
56 HG12 ILE 7 HG12 ILE 7 1.208 5.412 -4.797
57 HG13 ILE 7 HG13 ILE 7 0.311 5.066 -3.322
58 HG21 ILE 7 HG21 ILE 7 3.659 6.957 -3.372
59 HG22 ILE 7 HG22 ILE 7 4.614 5.499 -3.185
60 HG23 ILE 7 HG23 ILE 7 3.735 5.782 -4.696
61 HD11 ILE 7 HD11 ILE 7 1.683 7.688 -3.886
62 HD12 ILE 7 HD12 ILE 7 -0.044 7.365 -4.051
63 HD13 ILE 7 HD13 ILE 7 0.711 7.288 -2.450
64 H LEU 8 H LEU 8 4.635 2.397 -4.121
65 HA LEU 8 HA LEU 8 5.829 1.563 -1.535
66 HB2 LEU 8 HB2 LEU 8 6.354 0.869 -4.466
67 HB3 LEU 8 HB3 LEU 8 7.313 0.235 -3.160
68 HG LEU 8 HG LEU 8 4.311 -0.176 -3.478
69 HD11 LEU 8 HD11 LEU 8 4.856 -2.423 -4.400
70 HD12 LEU 8 HD12 LEU 8 6.585 -2.023 -4.344
71 HD13 LEU 8 HD13 LEU 8 5.498 -1.133 -5.428
72 HD21 LEU 8 HD21 LEU 8 5.065 -0.599 -1.206
73 HD22 LEU 8 HD22 LEU 8 6.342 -1.682 -1.793
74 HD23 LEU 8 HD23 LEU 8 4.633 -2.119 -2.001
75 H ASN 9 H ASN 9 7.062 3.223 -0.801
76 HA ASN 9 HA ASN 9 8.785 4.799 -2.701
77 HB2 ASN 9 HB2 ASN 9 7.421 5.534 -0.089
78 HB3 ASN 9 HB3 ASN 9 8.861 6.376 -0.649
79 HD21 ASN 9 HD21 ASN 9 6.658 7.775 -0.118
80 HD22 ASN 9 HD22 ASN 9 6.066 8.478 -1.604
81 H GLY 10 H GLY 10 10.183 2.643 -2.451
82 HA2 GLY 10 HA2 GLY 10 11.376 2.462 0.236
83 HA3 GLY 10 HA3 GLY 10 11.557 1.300 -1.049
84 H LYS 11 H LYS 11 13.663 2.371 0.564
85 HA LYS 11 HA LYS 11 15.087 4.421 -0.851
86 HB2 LYS 11 HB2 LYS 11 16.185 2.335 1.060
87 HB3 LYS 11 HB3 LYS 11 16.994 3.808 0.529
88 HG2 LYS 11 HG2 LYS 11 15.242 5.188 1.603
89 HG3 LYS 11 HG3 LYS 11 14.398 3.719 2.089
90 HD2 LYS 11 HD2 LYS 11 15.638 4.778 3.938
91 HD3 LYS 11 HD3 LYS 11 16.101 3.100 3.636
92 HE2 LYS 11 HE2 LYS 11 18.059 3.830 2.355
93 HE3 LYS 11 HE3 LYS 11 17.586 5.531 2.544
94 HZ1 LYS 11 HZ1 LYS 11 18.352 3.700 4.727
95 HZ2 LYS 11 HZ2 LYS 11 17.973 5.299 4.934
96 HZ3 LYS 11 HZ3 LYS 11 19.300 4.865 4.070
97 H THR 12 H THR 12 14.526 1.200 -1.621
98 HA THR 12 HA THR 12 16.634 1.267 -3.710
99 HB THR 12 HB THR 12 17.015 -1.118 -3.395
100 HG1 THR 12 HG1 THR 12 15.510 -0.812 -1.017
101 HG21 THR 12 HG21 THR 12 18.349 -1.029 -1.401
102 HG22 THR 12 HG22 THR 12 17.457 0.366 -0.775
103 HG23 THR 12 HG23 THR 12 18.444 0.548 -2.235
104 H LEU 13 H LEU 13 13.343 -0.062 -2.754
105 HA LEU 13 HA LEU 13 12.885 -0.331 -5.702
106 HB2 LEU 13 HB2 LEU 13 13.141 -2.449 -4.523
107 HB3 LEU 13 HB3 LEU 13 11.802 -2.046 -3.449
108 HG LEU 13 HG LEU 13 11.382 -2.030 -6.450
109 HD11 LEU 13 HD11 LEU 13 10.795 -4.484 -6.242
110 HD12 LEU 13 HD12 LEU 13 11.494 -4.460 -4.615
111 HD13 LEU 13 HD13 LEU 13 12.510 -4.126 -6.021
112 HD21 LEU 13 HD21 LEU 13 9.104 -2.929 -5.736
113 HD22 LEU 13 HD22 LEU 13 9.423 -1.284 -5.196
114 HD23 LEU 13 HD23 LEU 13 9.588 -2.625 -4.058
115 H LYS 14 H LYS 14 11.215 0.710 -6.510
116 HA LYS 14 HA LYS 14 9.137 1.720 -4.659
117 HB2 LYS 14 HB2 LYS 14 10.546 3.323 -6.832
118 HB3 LYS 14 HB3 LYS 14 9.166 3.893 -5.898
119 HG2 LYS 14 HG2 LYS 14 10.359 4.171 -3.945
120 HG3 LYS 14 HG3 LYS 14 11.615 3.009 -4.346
121 HD2 LYS 14 HD2 LYS 14 11.319 5.700 -5.663
122 HD3 LYS 14 HD3 LYS 14 12.413 5.311 -4.322
123 HE2 LYS 14 HE2 LYS 14 13.542 3.578 -5.678
124 HE3 LYS 14 HE3 LYS 14 12.454 3.906 -7.028
125 HZ1 LYS 14 HZ1 LYS 14 14.430 5.778 -5.905
126 HZ2 LYS 14 HZ2 LYS 14 13.295 6.206 -7.014
127 HZ3 LYS 14 HZ3 LYS 14 14.434 5.090 -7.419
128 H GLY 15 H GLY 15 7.180 2.327 -5.767
129 HA2 GLY 15 HA2 GLY 15 6.556 1.864 -8.460
130 HA3 GLY 15 HA3 GLY 15 6.388 0.300 -7.626
131 H GLU 16 H GLU 16 4.088 0.754 -8.431
132 HA GLU 16 HA GLU 16 2.517 1.692 -6.189
133 HB2 GLU 16 HB2 GLU 16 2.231 2.926 -8.978
134 HB3 GLU 16 HB3 GLU 16 0.936 2.907 -7.770
135 HG2 GLU 16 HG2 GLU 16 2.517 3.994 -6.156
136 HG3 GLU 16 HG3 GLU 16 3.643 4.257 -7.494
137 H THR 17 H THR 17 0.379 0.683 -6.250
138 HA THR 17 HA THR 17 -0.246 -1.125 -8.414
139 HB THR 17 HB THR 17 1.415 -2.412 -7.021
140 HG1 THR 17 HG1 THR 17 -0.294 -4.193 -6.759
141 HG21 THR 17 HG21 THR 17 0.973 -1.759 -4.788
142 HG22 THR 17 HG22 THR 17 0.543 -3.457 -4.866
143 HG23 THR 17 HG23 THR 17 -0.742 -2.247 -4.866
144 H THR 18 H THR 18 -2.477 -2.200 -7.913
145 HA THR 18 HA THR 18 -4.012 -0.619 -5.940
146 HB THR 18 HB THR 18 -5.832 -0.492 -7.771
147 HG1 THR 18 HG1 THR 18 -5.049 -1.850 -9.331
148 HG21 THR 18 HG21 THR 18 -3.287 1.112 -8.260
149 HG22 THR 18 HG22 THR 18 -4.618 1.524 -7.149
150 HG23 THR 18 HG23 THR 18 -4.903 1.491 -8.891
151 H THR 19 H THR 19 -5.938 -1.683 -5.207
152 HA THR 19 HA THR 19 -6.548 -4.325 -6.268
153 HB THR 19 HB THR 19 -4.709 -4.550 -4.449
154 HG1 THR 19 HG1 THR 19 -6.062 -6.228 -5.253
155 HG21 THR 19 HG21 THR 19 -5.322 -4.507 -2.158
156 HG22 THR 19 HG22 THR 19 -7.050 -4.341 -2.526
157 HG23 THR 19 HG23 THR 19 -5.955 -2.989 -2.819
158 H GLU 20 H GLU 20 -8.753 -4.969 -5.653
159 HA GLU 20 HA GLU 20 -10.344 -2.647 -4.672
160 HB2 GLU 20 HB2 GLU 20 -11.040 -4.937 -6.519
161 HB3 GLU 20 HB3 GLU 20 -12.277 -4.082 -5.561
162 HG2 GLU 20 HG2 GLU 20 -11.559 -1.930 -6.463
163 HG3 GLU 20 HG3 GLU 20 -10.292 -2.711 -7.423
164 H ALA 21 H ALA 21 -10.449 -2.816 -2.593
165 HA ALA 21 HA ALA 21 -10.675 -5.495 -1.276
166 HB1 ALA 21 HB1 ALA 21 -9.974 -2.872 0.080
167 HB2 ALA 21 HB2 ALA 21 -9.679 -4.513 0.636
168 HB3 ALA 21 HB3 ALA 21 -8.726 -3.864 -0.716
169 H VAL 22 H VAL 22 -12.133 -5.650 0.460
170 HA VAL 22 HA VAL 22 -14.673 -4.264 0.085
171 HB VAL 22 HB VAL 22 -15.454 -5.541 2.058
172 HG11 VAL 22 HG11 VAL 22 -14.163 -7.202 -0.130
173 HG12 VAL 22 HG12 VAL 22 -15.532 -7.675 0.903
174 HG13 VAL 22 HG13 VAL 22 -15.714 -6.354 -0.236
175 HG21 VAL 22 HG21 VAL 22 -13.307 -5.845 3.299
176 HG22 VAL 22 HG22 VAL 22 -14.143 -7.355 3.011
177 HG23 VAL 22 HG23 VAL 22 -12.733 -6.925 2.018
178 H ASP 23 H ASP 23 -12.072 -4.103 2.553
179 HA ASP 23 HA ASP 23 -13.205 -1.528 3.529
180 HB2 ASP 23 HB2 ASP 23 -12.140 -3.876 5.175
181 HB3 ASP 23 HB3 ASP 23 -12.526 -2.281 5.812
182 H ALA 24 H ALA 24 -11.526 -0.307 4.716
183 HA ALA 24 HA ALA 24 -9.044 -0.280 3.313
184 HB1 ALA 24 HB1 ALA 24 -8.376 1.368 5.066
185 HB2 ALA 24 HB2 ALA 24 -9.957 1.737 4.349
186 HB3 ALA 24 HB3 ALA 24 -9.863 0.988 5.960
187 H ALA 25 H ALA 25 -10.148 -2.094 6.168
188 HA ALA 25 HA ALA 25 -7.540 -2.696 7.213
189 HB1 ALA 25 HB1 ALA 25 -9.551 -3.029 8.581
190 HB2 ALA 25 HB2 ALA 25 -10.177 -4.241 7.433
191 HB3 ALA 25 HB3 ALA 25 -8.707 -4.568 8.378
192 H THR 26 H THR 26 -9.763 -4.519 4.980
193 HA THR 26 HA THR 26 -8.070 -6.707 4.511
194 HB THR 26 HB THR 26 -9.938 -5.381 2.568
195 HG1 THR 26 HG1 THR 26 -10.748 -7.328 4.445
196 HG21 THR 26 HG21 THR 26 -9.328 -8.325 2.981
197 HG22 THR 26 HG22 THR 26 -8.744 -7.323 1.645
198 HG23 THR 26 HG23 THR 26 -10.472 -7.655 1.802
199 H ALA 27 H ALA 27 -8.324 -3.500 2.945
200 HA ALA 27 HA ALA 27 -6.483 -3.927 0.824
201 HB1 ALA 27 HB1 ALA 27 -8.157 -2.008 1.081
202 HB2 ALA 27 HB2 ALA 27 -7.059 -1.301 2.278
203 HB3 ALA 27 HB3 ALA 27 -6.523 -1.532 0.610
204 H GLU 28 H GLU 28 -6.016 -2.401 4.072
205 HA GLU 28 HA GLU 28 -3.332 -1.854 3.867
206 HB2 GLU 28 HB2 GLU 28 -4.956 -1.167 5.677
207 HB3 GLU 28 HB3 GLU 28 -4.781 -2.769 6.397
208 HG2 GLU 28 HG2 GLU 28 -2.335 -2.356 6.665
209 HG3 GLU 28 HG3 GLU 28 -2.542 -0.771 5.892
210 H LYS 29 H LYS 29 -4.859 -4.878 4.988
211 HA LYS 29 HA LYS 29 -2.423 -6.229 5.679
212 HB2 LYS 29 HB2 LYS 29 -5.177 -7.260 4.910
213 HB3 LYS 29 HB3 LYS 29 -3.887 -8.266 5.578
214 HG2 LYS 29 HG2 LYS 29 -3.852 -6.962 7.633
215 HG3 LYS 29 HG3 LYS 29 -5.041 -5.839 7.034
216 HD2 LYS 29 HD2 LYS 29 -5.493 -8.806 7.484
217 HD3 LYS 29 HD3 LYS 29 -5.972 -7.479 8.576
218 HE2 LYS 29 HE2 LYS 29 -7.488 -6.584 6.896
219 HE3 LYS 29 HE3 LYS 29 -7.050 -7.890 5.770
220 HZ1 LYS 29 HZ1 LYS 29 -9.143 -8.162 7.163
221 HZ2 LYS 29 HZ2 LYS 29 -8.170 -8.470 8.430
222 HZ3 LYS 29 HZ3 LYS 29 -8.129 -9.450 7.092
223 H VAL 30 H VAL 30 -4.443 -6.308 2.680
224 HA VAL 30 HA VAL 30 -2.730 -8.187 1.348
225 HB VAL 30 HB VAL 30 -4.838 -6.190 0.515
226 HG11 VAL 30 HG11 VAL 30 -3.381 -6.018 -1.383
227 HG12 VAL 30 HG12 VAL 30 -3.184 -7.788 -1.460
228 HG13 VAL 30 HG13 VAL 30 -4.758 -7.036 -1.813
229 HG21 VAL 30 HG21 VAL 30 -4.485 -9.214 0.313
230 HG22 VAL 30 HG22 VAL 30 -5.440 -8.345 1.513
231 HG23 VAL 30 HG23 VAL 30 -5.935 -8.327 -0.184
232 H PHE 31 H PHE 31 -2.754 -4.599 1.311
233 HA PHE 31 HA PHE 31 -0.561 -4.380 -0.475
234 HB2 PHE 31 HB2 PHE 31 -1.668 -2.506 1.637
235 HB3 PHE 31 HB3 PHE 31 -0.417 -2.052 0.508
236 HD1 PHE 31 HD1 PHE 31 -1.274 -3.218 -2.109
237 HD2 PHE 31 HD2 PHE 31 -3.577 -1.307 1.010
238 HE1 PHE 31 HE1 PHE 31 -2.845 -2.365 -3.791
239 HE2 PHE 31 HE2 PHE 31 -5.112 -0.448 -0.669
240 HZ PHE 31 HZ PHE 31 -4.744 -0.924 -3.110
241 H LYS 32 H LYS 32 -0.591 -4.665 3.135
242 HA LYS 32 HA LYS 32 2.193 -4.193 3.500
243 HB2 LYS 32 HB2 LYS 32 0.079 -5.716 5.034
244 HB3 LYS 32 HB3 LYS 32 1.776 -5.984 5.387
245 HG2 LYS 32 HG2 LYS 32 1.925 -3.344 5.440
246 HG3 LYS 32 HG3 LYS 32 0.203 -3.427 5.726
247 HD2 LYS 32 HD2 LYS 32 0.621 -4.941 7.667
248 HD3 LYS 32 HD3 LYS 32 2.369 -4.849 7.323
249 HE2 LYS 32 HE2 LYS 32 2.263 -2.357 7.619
250 HE3 LYS 32 HE3 LYS 32 0.550 -2.519 8.056
251 HZ1 LYS 32 HZ1 LYS 32 2.787 -3.766 9.503
252 HZ2 LYS 32 HZ2 LYS 32 1.210 -3.917 9.907
253 HZ3 LYS 32 HZ3 LYS 32 1.959 -2.440 9.997
254 H GLN 33 H GLN 33 0.451 -7.237 2.770
255 HA GLN 33 HA GLN 33 2.727 -8.873 2.784
256 HB2 GLN 33 HB2 GLN 33 0.393 -9.712 2.835
257 HB3 GLN 33 HB3 GLN 33 0.120 -9.079 1.216
258 HG2 GLN 33 HG2 GLN 33 0.421 -11.343 0.855
259 HG3 GLN 33 HG3 GLN 33 1.974 -10.657 0.399
260 HE21 GLN 33 HE21 GLN 33 3.771 -10.834 2.048
261 HE22 GLN 33 HE22 GLN 33 3.782 -12.171 3.137
262 H TYR 34 H TYR 34 1.230 -6.895 0.227
263 HA TYR 34 HA TYR 34 2.904 -7.877 -1.899
264 HB2 TYR 34 HB2 TYR 34 0.688 -6.575 -2.042
265 HB3 TYR 34 HB3 TYR 34 1.641 -5.118 -1.789
266 HD1 TYR 34 HD1 TYR 34 1.157 -8.080 -4.005
267 HD2 TYR 34 HD2 TYR 34 2.943 -4.166 -3.639
268 HE1 TYR 34 HE1 TYR 34 1.519 -8.012 -6.439
269 HE2 TYR 34 HE2 TYR 34 3.250 -4.076 -6.105
270 HH TYR 34 HH TYR 34 1.640 -6.409 -8.200
271 H ALA 35 H ALA 35 3.221 -5.018 0.231
272 HA ALA 35 HA ALA 35 5.586 -4.043 -1.108
273 HB1 ALA 35 HB1 ALA 35 4.149 -2.650 0.272
274 HB2 ALA 35 HB2 ALA 35 4.608 -3.615 1.710
275 HB3 ALA 35 HB3 ALA 35 5.813 -2.614 0.873
276 H ASN 36 H ASN 36 5.113 -5.991 1.848
277 HA ASN 36 HA ASN 36 7.855 -6.287 2.494
278 HB2 ASN 36 HB2 ASN 36 6.956 -7.237 4.282
279 HB3 ASN 36 HB3 ASN 36 5.374 -7.216 3.544
280 HD21 ASN 36 HD21 ASN 36 5.148 -9.219 1.758
281 HD22 ASN 36 HD22 ASN 36 5.766 -10.721 2.476
282 H ASP 37 H ASP 37 5.846 -7.932 0.133
283 HA ASP 37 HA ASP 37 7.507 -10.204 -0.368
284 HB2 ASP 37 HB2 ASP 37 5.161 -10.049 -1.172
285 HB3 ASP 37 HB3 ASP 37 5.602 -8.711 -2.200
286 H ASN 38 H ASN 38 7.320 -6.942 -1.713
287 HA ASN 38 HA ASN 38 9.609 -7.287 -3.513
288 HB2 ASN 38 HB2 ASN 38 8.045 -4.791 -2.721
289 HB3 ASN 38 HB3 ASN 38 9.315 -4.876 -3.940
290 HD21 ASN 38 HD21 ASN 38 5.983 -5.715 -3.246
291 HD22 ASN 38 HD22 ASN 38 5.591 -6.322 -4.787
292 H GLY 39 H GLY 39 9.386 -6.989 -0.219
293 HA2 GLY 39 HA2 GLY 39 10.998 -6.753 1.351
294 HA3 GLY 39 HA3 GLY 39 12.161 -6.285 0.096
295 H VAL 40 H VAL 40 9.169 -4.569 0.369
296 HA VAL 40 HA VAL 40 10.555 -2.119 1.295
297 HB VAL 40 HB VAL 40 7.788 -2.470 0.091
298 HG11 VAL 40 HG11 VAL 40 7.988 -0.438 1.450
299 HG12 VAL 40 HG12 VAL 40 9.489 0.011 0.614
300 HG13 VAL 40 HG13 VAL 40 7.952 -0.003 -0.271
301 HG21 VAL 40 HG21 VAL 40 10.341 -1.651 -1.309
302 HG22 VAL 40 HG22 VAL 40 9.384 -3.125 -1.586
303 HG23 VAL 40 HG23 VAL 40 8.707 -1.545 -1.991
304 H ASP 41 H ASP 41 10.419 -1.759 3.447
305 HA ASP 41 HA ASP 41 7.878 -2.158 4.882
306 HB2 ASP 41 HB2 ASP 41 8.902 -4.300 5.180
307 HB3 ASP 41 HB3 ASP 41 10.470 -3.561 5.551
308 H GLY 42 H GLY 42 7.767 0.015 5.054
309 HA2 GLY 42 HA2 GLY 42 9.842 1.423 6.669
310 HA3 GLY 42 HA3 GLY 42 9.105 2.113 5.203
311 H GLU 43 H GLU 43 8.288 3.833 6.292
312 HA GLU 43 HA GLU 43 6.392 3.501 8.475
313 HB2 GLU 43 HB2 GLU 43 8.052 5.344 8.407
314 HB3 GLU 43 HB3 GLU 43 7.395 5.897 6.861
315 HG2 GLU 43 HG2 GLU 43 5.189 6.324 8.031
316 HG3 GLU 43 HG3 GLU 43 5.973 5.899 9.564
317 H TRP 44 H TRP 44 4.368 2.945 7.990
318 HA TRP 44 HA TRP 44 3.299 3.318 5.273
319 HB2 TRP 44 HB2 TRP 44 2.224 1.892 7.741
320 HB3 TRP 44 HB3 TRP 44 1.329 2.030 6.236
321 HD1 TRP 44 HD1 TRP 44 4.702 0.591 7.458
322 HE1 TRP 44 HE1 TRP 44 5.372 -1.398 6.044
323 HE3 TRP 44 HE3 TRP 44 0.830 0.670 4.080
324 HZ2 TRP 44 HZ2 TRP 44 4.455 -2.711 3.678
325 HZ3 TRP 44 HZ3 TRP 44 0.871 -0.891 2.150
326 HH2 TRP 44 HH2 TRP 44 2.617 -2.582 1.942
327 H THR 45 H THR 45 1.722 4.790 4.720
328 HA THR 45 HA THR 45 0.476 6.492 6.809
329 HB THR 45 HB THR 45 0.843 8.414 5.451
330 HG1 THR 45 HG1 THR 45 1.977 8.136 3.411
331 HG21 THR 45 HG21 THR 45 3.246 8.642 5.320
332 HG22 THR 45 HG22 THR 45 3.480 6.891 5.264
333 HG23 THR 45 HG23 THR 45 2.877 7.663 6.749
334 H TYR 46 H TYR 46 -1.445 7.819 5.470
335 HA TYR 46 HA TYR 46 -2.706 6.170 3.469
336 HB2 TYR 46 HB2 TYR 46 -3.346 4.984 5.587
337 HB3 TYR 46 HB3 TYR 46 -4.072 6.483 6.163
338 HD1 TYR 46 HD1 TYR 46 -4.226 4.632 2.863
339 HD2 TYR 46 HD2 TYR 46 -6.399 6.153 6.259
340 HE1 TYR 46 HE1 TYR 46 -6.353 4.027 1.766
341 HE2 TYR 46 HE2 TYR 46 -8.521 5.475 5.209
342 HH TYR 46 HH TYR 46 -9.476 5.097 2.982
343 H ASP 47 H ASP 47 -4.128 7.285 2.312
344 HA ASP 47 HA ASP 47 -4.928 10.049 3.055
345 HB2 ASP 47 HB2 ASP 47 -3.838 9.039 0.384
346 HB3 ASP 47 HB3 ASP 47 -4.737 10.534 0.602
347 H ASP 48 H ASP 48 -6.797 8.941 3.843
348 HA ASP 48 HA ASP 48 -8.365 7.076 2.474
349 HB2 ASP 48 HB2 ASP 48 -8.522 8.023 4.910
350 HB3 ASP 48 HB3 ASP 48 -9.586 9.234 4.218
351 H ALA 49 H ALA 49 -8.243 10.513 2.272
352 HA ALA 49 HA ALA 49 -10.428 11.349 0.807
353 HB1 ALA 49 HB1 ALA 49 -8.956 13.149 0.004
354 HB2 ALA 49 HB2 ALA 49 -8.535 12.764 1.686
355 HB3 ALA 49 HB3 ALA 49 -7.525 12.156 0.357
356 H THR 50 H THR 50 -7.718 9.416 -0.333
357 HA THR 50 HA THR 50 -8.907 9.242 -3.033
358 HB THR 50 HB THR 50 -7.149 10.927 -3.141
359 HG1 THR 50 HG1 THR 50 -6.811 8.445 -4.322
360 HG21 THR 50 HG21 THR 50 -4.736 10.179 -2.788
361 HG22 THR 50 HG22 THR 50 -5.398 8.777 -1.897
362 HG23 THR 50 HG23 THR 50 -5.707 10.426 -1.337
363 H LYS 51 H LYS 51 -8.705 7.539 -0.436
364 HA LYS 51 HA LYS 51 -8.207 5.439 0.216
365 HB2 LYS 51 HB2 LYS 51 -9.049 4.903 -2.679
366 HB3 LYS 51 HB3 LYS 51 -9.062 3.719 -1.386
367 HG2 LYS 51 HG2 LYS 51 -10.716 5.147 -0.144
368 HG3 LYS 51 HG3 LYS 51 -10.792 6.208 -1.542
369 HD2 LYS 51 HD2 LYS 51 -11.580 4.475 -3.011
370 HD3 LYS 51 HD3 LYS 51 -11.369 3.218 -1.775
371 HE2 LYS 51 HE2 LYS 51 -13.216 3.893 -0.538
372 HE3 LYS 51 HE3 LYS 51 -13.123 5.559 -1.130
373 HZ1 LYS 51 HZ1 LYS 51 -14.188 3.248 -2.625
374 HZ2 LYS 51 HZ2 LYS 51 -13.963 4.781 -3.268
375 HZ3 LYS 51 HZ3 LYS 51 -15.015 4.536 -2.075
376 H THR 52 H THR 52 -5.763 6.577 -0.162
377 HA THR 52 HA THR 52 -4.277 4.382 -1.521
378 HB THR 52 HB THR 52 -3.676 7.348 -1.670
379 HG1 THR 52 HG1 THR 52 -5.445 6.416 -3.017
380 HG21 THR 52 HG21 THR 52 -1.571 6.257 -1.760
381 HG22 THR 52 HG22 THR 52 -2.022 6.527 -3.456
382 HG23 THR 52 HG23 THR 52 -2.193 4.930 -2.743
383 H PHE 53 H PHE 53 -2.504 3.590 -0.526
384 HA PHE 53 HA PHE 53 -1.675 4.882 2.055
385 HB2 PHE 53 HB2 PHE 53 -1.102 2.007 1.323
386 HB3 PHE 53 HB3 PHE 53 -0.866 2.807 2.801
387 HD1 PHE 53 HD1 PHE 53 -3.948 2.238 0.636
388 HD2 PHE 53 HD2 PHE 53 -2.086 2.027 4.499
389 HE1 PHE 53 HE1 PHE 53 -6.021 1.246 1.564
390 HE2 PHE 53 HE2 PHE 53 -4.169 1.022 5.433
391 HZ PHE 53 HZ PHE 53 -6.139 0.648 3.974
392 H THR 54 H THR 54 0.651 4.929 2.460
393 HA THR 54 HA THR 54 2.366 4.570 0.053
394 HB THR 54 HB THR 54 2.491 7.048 1.772
395 HG1 THR 54 HG1 THR 54 0.736 7.417 0.723
396 HG21 THR 54 HG21 THR 54 4.608 6.580 0.793
397 HG22 THR 54 HG22 THR 54 3.875 7.971 -0.017
398 HG23 THR 54 HG23 THR 54 3.894 6.379 -0.813
399 H VAL 55 H VAL 55 4.104 3.295 0.650
400 HA VAL 55 HA VAL 55 4.803 3.231 3.553
401 HB VAL 55 HB VAL 55 4.022 1.107 2.843
402 HG11 VAL 55 HG11 VAL 55 5.011 -0.306 1.215
403 HG12 VAL 55 HG12 VAL 55 4.379 1.154 0.433
404 HG13 VAL 55 HG13 VAL 55 6.127 0.981 0.703
405 HG21 VAL 55 HG21 VAL 55 5.904 1.236 4.440
406 HG22 VAL 55 HG22 VAL 55 6.018 -0.246 3.452
407 HG23 VAL 55 HG23 VAL 55 7.065 1.142 3.103
408 H THR 56 H THR 56 6.425 4.585 3.919
409 HA THR 56 HA THR 56 8.400 4.980 1.750
410 HB THR 56 HB THR 56 7.976 6.710 4.125
411 HG1 THR 56 HG1 THR 56 6.367 7.545 3.159
412 HG21 THR 56 HG21 THR 56 10.140 6.992 3.044
413 HG22 THR 56 HG22 THR 56 9.114 8.394 2.692
414 HG23 THR 56 HG23 THR 56 9.364 7.144 1.453
415 H GLU 57 H GLU 57 10.079 3.757 1.975
416 HA GLU 57 HA GLU 57 11.004 2.747 4.587
417 HB2 GLU 57 HB2 GLU 57 11.082 1.557 2.072
418 HB3 GLU 57 HB3 GLU 57 12.642 2.331 2.108
419 HG2 GLU 57 HG2 GLU 57 12.339 1.114 4.671
420 HG3 GLU 57 HG3 GLU 57 11.585 0.012 3.509
Start of MODEL 8
1 H1 MET 1 H MET 1 -16.584 -1.098 1.395
2 HA MET 1 HA MET 1 -14.664 -1.596 -0.005
3 HB2 MET 1 HB2 MET 1 -16.892 -2.662 -0.440
4 HB3 MET 1 HB3 MET 1 -17.153 -1.494 -1.730
5 HG2 MET 1 HG2 MET 1 -15.764 -2.683 -3.123
6 HG3 MET 1 HG3 MET 1 -14.524 -2.812 -1.901
7 HE1 MET 1 HE1 MET 1 -14.681 -5.034 -3.944
8 HE2 MET 1 HE2 MET 1 -13.599 -4.968 -2.531
9 HE3 MET 1 HE3 MET 1 -14.537 -6.442 -2.865
10 H GLY 2 H GLY 2 -14.264 -1.191 -2.703
11 HA2 GLY 2 HA2 GLY 2 -14.370 0.790 -4.232
12 HA3 GLY 2 HA3 GLY 2 -13.625 1.684 -2.890
13 H THR 3 H THR 3 -12.184 1.713 -5.079
14 HA THR 3 HA THR 3 -10.273 -0.531 -5.111
15 HB THR 3 HB THR 3 -10.374 2.045 -6.747
16 HG1 THR 3 HG1 THR 3 -11.280 0.634 -8.317
17 HG21 THR 3 HG21 THR 3 -8.937 0.771 -8.319
18 HG22 THR 3 HG22 THR 3 -8.901 -0.608 -7.195
19 HG23 THR 3 HG23 THR 3 -8.145 0.942 -6.759
20 H TYR 4 H TYR 4 -8.242 -0.370 -4.214
21 HA TYR 4 HA TYR 4 -7.536 2.133 -2.791
22 HB2 TYR 4 HB2 TYR 4 -7.100 -0.815 -2.165
23 HB3 TYR 4 HB3 TYR 4 -6.176 0.452 -1.393
24 HD1 TYR 4 HD1 TYR 4 -7.230 2.166 0.044
25 HD2 TYR 4 HD2 TYR 4 -9.457 -1.193 -1.525
26 HE1 TYR 4 HE1 TYR 4 -8.998 2.515 1.769
27 HE2 TYR 4 HE2 TYR 4 -11.241 -0.735 0.037
28 HH TYR 4 HH TYR 4 -12.039 0.628 1.652
29 H LYS 5 H LYS 5 -5.263 2.674 -2.926
30 HA LYS 5 HA LYS 5 -3.695 1.291 -5.042
31 HB2 LYS 5 HB2 LYS 5 -4.760 3.475 -5.831
32 HB3 LYS 5 HB3 LYS 5 -3.758 4.310 -4.651
33 HG2 LYS 5 HG2 LYS 5 -2.161 2.441 -6.271
34 HG3 LYS 5 HG3 LYS 5 -3.065 3.494 -7.301
35 HD2 LYS 5 HD2 LYS 5 -1.330 4.570 -5.041
36 HD3 LYS 5 HD3 LYS 5 -0.690 4.139 -6.634
37 HE2 LYS 5 HE2 LYS 5 -2.541 5.589 -7.633
38 HE3 LYS 5 HE3 LYS 5 -2.816 6.238 -6.022
39 HZ1 LYS 5 HZ1 LYS 5 -1.284 7.514 -7.476
40 HZ2 LYS 5 HZ2 LYS 5 -0.234 6.274 -7.492
41 HZ3 LYS 5 HZ3 LYS 5 -0.570 7.106 -6.067
42 H LEU 6 H LEU 6 -1.466 1.206 -4.693
43 HA LEU 6 HA LEU 6 -0.542 2.098 -1.976
44 HB2 LEU 6 HB2 LEU 6 -0.737 -0.318 -2.112
45 HB3 LEU 6 HB3 LEU 6 0.132 -0.333 -3.624
46 HG LEU 6 HG LEU 6 2.205 0.441 -2.397
47 HD11 LEU 6 HD11 LEU 6 0.400 0.213 0.059
48 HD12 LEU 6 HD12 LEU 6 1.273 1.653 -0.498
49 HD13 LEU 6 HD13 LEU 6 2.176 0.287 0.119
50 HD21 LEU 6 HD21 LEU 6 2.487 -1.720 -1.092
51 HD22 LEU 6 HD22 LEU 6 1.999 -1.865 -2.786
52 HD23 LEU 6 HD23 LEU 6 0.805 -2.098 -1.499
53 H ILE 7 H ILE 7 1.365 3.048 -1.890
54 HA ILE 7 HA ILE 7 2.952 3.507 -4.375
55 HB ILE 7 HB ILE 7 2.412 5.538 -2.199
56 HG12 ILE 7 HG12 ILE 7 1.354 5.377 -5.040
57 HG13 ILE 7 HG13 ILE 7 0.423 5.269 -3.551
58 HG21 ILE 7 HG21 ILE 7 3.918 5.863 -4.833
59 HG22 ILE 7 HG22 ILE 7 3.755 7.081 -3.544
60 HG23 ILE 7 HG23 ILE 7 4.703 5.643 -3.259
61 HD11 ILE 7 HD11 ILE 7 0.114 7.478 -4.484
62 HD12 ILE 7 HD12 ILE 7 1.032 7.604 -2.973
63 HD13 ILE 7 HD13 ILE 7 1.847 7.758 -4.554
64 H LEU 8 H LEU 8 4.628 2.233 -4.087
65 HA LEU 8 HA LEU 8 5.748 1.613 -1.433
66 HB2 LEU 8 HB2 LEU 8 6.372 0.772 -4.290
67 HB3 LEU 8 HB3 LEU 8 7.315 0.260 -2.927
68 HG LEU 8 HG LEU 8 4.431 -0.337 -3.373
69 HD11 LEU 8 HD11 LEU 8 6.988 -2.059 -3.497
70 HD12 LEU 8 HD12 LEU 8 6.048 -1.525 -4.897
71 HD13 LEU 8 HD13 LEU 8 5.354 -2.684 -3.744
72 HD21 LEU 8 HD21 LEU 8 4.666 -0.369 -1.060
73 HD22 LEU 8 HD22 LEU 8 6.236 -1.225 -1.121
74 HD23 LEU 8 HD23 LEU 8 4.720 -2.037 -1.586
75 H ASN 9 H ASN 9 6.923 3.239 -0.662
76 HA ASN 9 HA ASN 9 8.751 4.805 -2.438
77 HB2 ASN 9 HB2 ASN 9 7.285 5.584 0.089
78 HB3 ASN 9 HB3 ASN 9 8.763 6.407 -0.402
79 HD21 ASN 9 HD21 ASN 9 6.608 7.911 -0.118
80 HD22 ASN 9 HD22 ASN 9 6.168 8.481 -1.708
81 H GLY 10 H GLY 10 10.045 2.724 -2.210
82 HA2 GLY 10 HA2 GLY 10 11.415 2.557 0.336
83 HA3 GLY 10 HA3 GLY 10 11.598 1.432 -0.994
84 H LYS 11 H LYS 11 13.593 2.621 0.626
85 HA LYS 11 HA LYS 11 14.908 4.794 -0.849
86 HB2 LYS 11 HB2 LYS 11 16.080 2.886 1.222
87 HB3 LYS 11 HB3 LYS 11 16.760 4.431 0.714
88 HG2 LYS 11 HG2 LYS 11 14.246 3.975 2.357
89 HG3 LYS 11 HG3 LYS 11 15.772 4.679 2.858
90 HD2 LYS 11 HD2 LYS 11 14.514 6.575 2.629
91 HD3 LYS 11 HD3 LYS 11 15.306 6.522 1.071
92 HE2 LYS 11 HE2 LYS 11 13.000 7.089 0.691
93 HE3 LYS 11 HE3 LYS 11 13.206 5.429 0.126
94 HZ1 LYS 11 HZ1 LYS 11 11.254 5.397 1.397
95 HZ2 LYS 11 HZ2 LYS 11 11.912 6.396 2.561
96 HZ3 LYS 11 HZ3 LYS 11 12.353 4.877 2.527
97 H THR 12 H THR 12 14.618 1.483 -1.461
98 HA THR 12 HA THR 12 17.073 1.471 -3.166
99 HB THR 12 HB THR 12 17.118 -0.958 -2.758
100 HG1 THR 12 HG1 THR 12 15.292 -1.726 -2.151
101 HG21 THR 12 HG21 THR 12 18.305 0.650 -1.158
102 HG22 THR 12 HG22 THR 12 17.909 -0.939 -0.487
103 HG23 THR 12 HG23 THR 12 16.929 0.473 -0.062
104 H LEU 13 H LEU 13 13.623 0.463 -2.932
105 HA LEU 13 HA LEU 13 13.440 0.419 -5.926
106 HB2 LEU 13 HB2 LEU 13 13.543 -1.857 -5.384
107 HB3 LEU 13 HB3 LEU 13 12.669 -1.688 -3.874
108 HG LEU 13 HG LEU 13 11.228 -1.274 -6.519
109 HD11 LEU 13 HD11 LEU 13 10.591 -3.670 -6.438
110 HD12 LEU 13 HD12 LEU 13 11.721 -3.918 -5.082
111 HD13 LEU 13 HD13 LEU 13 12.316 -3.447 -6.687
112 HD21 LEU 13 HD21 LEU 13 9.882 -0.722 -4.473
113 HD22 LEU 13 HD22 LEU 13 10.334 -2.280 -3.768
114 HD23 LEU 13 HD23 LEU 13 9.294 -2.199 -5.202
115 H LYS 14 H LYS 14 11.252 1.020 -6.629
116 HA LYS 14 HA LYS 14 9.353 1.911 -4.575
117 HB2 LYS 14 HB2 LYS 14 10.366 3.800 -6.754
118 HB3 LYS 14 HB3 LYS 14 8.866 3.979 -5.833
119 HG2 LYS 14 HG2 LYS 14 9.806 4.977 -4.173
120 HG3 LYS 14 HG3 LYS 14 10.923 3.662 -3.890
121 HD2 LYS 14 HD2 LYS 14 11.318 6.057 -5.705
122 HD3 LYS 14 HD3 LYS 14 12.077 5.763 -4.119
123 HE2 LYS 14 HE2 LYS 14 12.455 3.825 -6.404
124 HE3 LYS 14 HE3 LYS 14 13.415 5.303 -6.314
125 HZ1 LYS 14 HZ1 LYS 14 14.414 3.358 -5.247
126 HZ2 LYS 14 HZ2 LYS 14 13.235 3.443 -4.052
127 HZ3 LYS 14 HZ3 LYS 14 14.271 4.671 -4.255
128 H GLY 15 H GLY 15 7.162 2.250 -5.603
129 HA2 GLY 15 HA2 GLY 15 6.676 1.456 -8.296
130 HA3 GLY 15 HA3 GLY 15 6.528 0.043 -7.254
131 H GLU 16 H GLU 16 4.260 0.540 -8.496
132 HA GLU 16 HA GLU 16 2.526 1.519 -6.370
133 HB2 GLU 16 HB2 GLU 16 2.489 2.670 -9.199
134 HB3 GLU 16 HB3 GLU 16 1.077 2.673 -8.124
135 HG2 GLU 16 HG2 GLU 16 2.473 3.868 -6.401
136 HG3 GLU 16 HG3 GLU 16 3.751 4.027 -7.614
137 H THR 17 H THR 17 0.422 0.537 -6.474
138 HA THR 17 HA THR 17 -0.255 -1.283 -8.604
139 HB THR 17 HB THR 17 1.430 -2.567 -7.176
140 HG1 THR 17 HG1 THR 17 0.263 -3.900 -8.294
141 HG21 THR 17 HG21 THR 17 0.861 -1.866 -4.931
142 HG22 THR 17 HG22 THR 17 0.559 -3.596 -5.047
143 HG23 THR 17 HG23 THR 17 -0.797 -2.461 -5.085
144 H THR 18 H THR 18 -2.549 -2.157 -8.135
145 HA THR 18 HA THR 18 -4.018 -0.592 -6.091
146 HB THR 18 HB THR 18 -5.849 -0.400 -7.889
147 HG1 THR 18 HG1 THR 18 -5.412 -0.755 -9.882
148 HG21 THR 18 HG21 THR 18 -3.290 1.205 -8.294
149 HG22 THR 18 HG22 THR 18 -4.634 1.557 -7.177
150 HG23 THR 18 HG23 THR 18 -4.902 1.640 -8.916
151 H THR 19 H THR 19 -5.888 -1.709 -5.273
152 HA THR 19 HA THR 19 -6.605 -4.296 -6.345
153 HB THR 19 HB THR 19 -4.644 -4.775 -4.832
154 HG1 THR 19 HG1 THR 19 -6.252 -6.325 -5.197
155 HG21 THR 19 HG21 THR 19 -5.348 -2.958 -3.152
156 HG22 THR 19 HG22 THR 19 -4.798 -4.494 -2.490
157 HG23 THR 19 HG23 THR 19 -6.535 -4.120 -2.536
158 H GLU 20 H GLU 20 -8.766 -4.938 -5.395
159 HA GLU 20 HA GLU 20 -10.215 -2.537 -4.369
160 HB2 GLU 20 HB2 GLU 20 -11.272 -5.035 -5.735
161 HB3 GLU 20 HB3 GLU 20 -12.220 -3.643 -5.181
162 HG2 GLU 20 HG2 GLU 20 -10.819 -2.180 -6.689
163 HG3 GLU 20 HG3 GLU 20 -10.069 -3.640 -7.358
164 H ALA 21 H ALA 21 -10.748 -2.603 -2.194
165 HA ALA 21 HA ALA 21 -10.757 -5.282 -0.881
166 HB1 ALA 21 HB1 ALA 21 -8.692 -3.994 -0.392
167 HB2 ALA 21 HB2 ALA 21 -9.726 -2.704 0.264
168 HB3 ALA 21 HB3 ALA 21 -9.726 -4.271 1.044
169 H VAL 22 H VAL 22 -12.178 -5.611 0.665
170 HA VAL 22 HA VAL 22 -14.662 -4.244 0.518
171 HB VAL 22 HB VAL 22 -14.277 -6.672 1.072
172 HG11 VAL 22 HG11 VAL 22 -13.965 -5.695 3.951
173 HG12 VAL 22 HG12 VAL 22 -14.022 -7.356 3.376
174 HG13 VAL 22 HG13 VAL 22 -12.642 -6.332 2.951
175 HG21 VAL 22 HG21 VAL 22 -16.305 -6.835 2.415
176 HG22 VAL 22 HG22 VAL 22 -16.178 -5.132 2.887
177 HG23 VAL 22 HG23 VAL 22 -16.462 -5.583 1.180
178 H ASP 23 H ASP 23 -12.021 -4.061 2.972
179 HA ASP 23 HA ASP 23 -13.068 -1.488 3.874
180 HB2 ASP 23 HB2 ASP 23 -12.844 -2.039 6.191
181 HB3 ASP 23 HB3 ASP 23 -14.107 -3.002 5.429
182 H ALA 24 H ALA 24 -11.389 -0.530 5.379
183 HA ALA 24 HA ALA 24 -8.966 -0.292 3.942
184 HB1 ALA 24 HB1 ALA 24 -9.903 1.510 5.343
185 HB2 ALA 24 HB2 ALA 24 -9.619 0.527 6.804
186 HB3 ALA 24 HB3 ALA 24 -8.245 1.107 5.840
187 H ALA 25 H ALA 25 -9.867 -2.470 6.664
188 HA ALA 25 HA ALA 25 -7.150 -3.080 7.336
189 HB1 ALA 25 HB1 ALA 25 -8.876 -3.484 8.951
190 HB2 ALA 25 HB2 ALA 25 -9.718 -4.609 7.868
191 HB3 ALA 25 HB3 ALA 25 -8.119 -5.018 8.538
192 H THR 26 H THR 26 -9.518 -4.769 5.134
193 HA THR 26 HA THR 26 -7.676 -6.828 4.347
194 HB THR 26 HB THR 26 -9.877 -5.465 2.806
195 HG1 THR 26 HG1 THR 26 -9.860 -7.982 4.145
196 HG21 THR 26 HG21 THR 26 -8.440 -8.026 2.041
197 HG22 THR 26 HG22 THR 26 -8.439 -6.507 1.143
198 HG23 THR 26 HG23 THR 26 -9.928 -7.426 1.285
199 H ALA 27 H ALA 27 -8.260 -3.503 3.091
200 HA ALA 27 HA ALA 27 -6.514 -3.715 0.926
201 HB1 ALA 27 HB1 ALA 27 -6.566 -1.203 0.956
202 HB2 ALA 27 HB2 ALA 27 -8.166 -1.788 1.438
203 HB3 ALA 27 HB3 ALA 27 -7.039 -1.206 2.653
204 H GLU 28 H GLU 28 -5.845 -2.485 4.187
205 HA GLU 28 HA GLU 28 -3.128 -1.913 3.858
206 HB2 GLU 28 HB2 GLU 28 -4.760 -1.190 5.641
207 HB3 GLU 28 HB3 GLU 28 -4.592 -2.789 6.376
208 HG2 GLU 28 HG2 GLU 28 -2.140 -2.292 6.695
209 HG3 GLU 28 HG3 GLU 28 -2.418 -0.675 6.004
210 H LYS 29 H LYS 29 -4.712 -4.968 4.909
211 HA LYS 29 HA LYS 29 -2.275 -6.388 5.513
212 HB2 LYS 29 HB2 LYS 29 -4.965 -7.416 4.530
213 HB3 LYS 29 HB3 LYS 29 -3.685 -8.435 5.178
214 HG2 LYS 29 HG2 LYS 29 -3.996 -7.687 7.395
215 HG3 LYS 29 HG3 LYS 29 -4.804 -6.214 6.902
216 HD2 LYS 29 HD2 LYS 29 -6.645 -7.727 5.895
217 HD3 LYS 29 HD3 LYS 29 -5.888 -9.057 6.778
218 HE2 LYS 29 HE2 LYS 29 -6.273 -7.884 8.881
219 HE3 LYS 29 HE3 LYS 29 -6.788 -6.431 7.999
220 HZ1 LYS 29 HZ1 LYS 29 -8.243 -8.999 7.789
221 HZ2 LYS 29 HZ2 LYS 29 -8.787 -7.516 7.323
222 HZ3 LYS 29 HZ3 LYS 29 -8.635 -7.873 8.902
223 H VAL 30 H VAL 30 -4.380 -6.344 2.572
224 HA VAL 30 HA VAL 30 -2.764 -8.107 1.046
225 HB VAL 30 HB VAL 30 -4.743 -5.909 0.328
226 HG11 VAL 30 HG11 VAL 30 -3.261 -6.095 -1.650
227 HG12 VAL 30 HG12 VAL 30 -3.488 -7.860 -1.661
228 HG13 VAL 30 HG13 VAL 30 -4.860 -6.774 -1.956
229 HG21 VAL 30 HG21 VAL 30 -5.525 -8.002 1.441
230 HG22 VAL 30 HG22 VAL 30 -6.132 -7.886 -0.214
231 HG23 VAL 30 HG23 VAL 30 -4.741 -8.953 0.170
232 H PHE 31 H PHE 31 -2.651 -4.517 1.289
233 HA PHE 31 HA PHE 31 -0.418 -4.356 -0.521
234 HB2 PHE 31 HB2 PHE 31 -1.620 -2.465 1.510
235 HB3 PHE 31 HB3 PHE 31 -0.198 -2.056 0.564
236 HD1 PHE 31 HD1 PHE 31 -1.509 -3.694 -2.049
237 HD2 PHE 31 HD2 PHE 31 -2.667 -0.448 0.580
238 HE1 PHE 31 HE1 PHE 31 -2.776 -2.699 -3.856
239 HE2 PHE 31 HE2 PHE 31 -3.924 0.566 -1.314
240 HZ PHE 31 HZ PHE 31 -3.966 -0.569 -3.539
241 H LYS 32 H LYS 32 -0.535 -4.682 3.088
242 HA LYS 32 HA LYS 32 2.273 -4.306 3.451
243 HB2 LYS 32 HB2 LYS 32 0.118 -5.747 4.995
244 HB3 LYS 32 HB3 LYS 32 1.792 -6.176 5.274
245 HG2 LYS 32 HG2 LYS 32 1.999 -3.430 5.361
246 HG3 LYS 32 HG3 LYS 32 0.363 -3.643 5.971
247 HD2 LYS 32 HD2 LYS 32 1.180 -5.114 7.729
248 HD3 LYS 32 HD3 LYS 32 2.782 -5.193 7.000
249 HE2 LYS 32 HE2 LYS 32 3.029 -3.719 8.818
250 HE3 LYS 32 HE3 LYS 32 3.110 -2.745 7.363
251 HZ1 LYS 32 HZ1 LYS 32 0.669 -3.032 9.028
252 HZ2 LYS 32 HZ2 LYS 32 0.862 -2.025 7.756
253 HZ3 LYS 32 HZ3 LYS 32 1.743 -1.781 9.106
254 H GLN 33 H GLN 33 0.463 -7.277 2.662
255 HA GLN 33 HA GLN 33 2.737 -8.934 2.642
256 HB2 GLN 33 HB2 GLN 33 0.280 -9.621 2.669
257 HB3 GLN 33 HB3 GLN 33 0.209 -9.188 0.966
258 HG2 GLN 33 HG2 GLN 33 0.550 -11.491 0.915
259 HG3 GLN 33 HG3 GLN 33 2.181 -10.876 0.647
260 HE21 GLN 33 HE21 GLN 33 3.754 -10.995 2.529
261 HE22 GLN 33 HE22 GLN 33 3.384 -12.143 3.808
262 H TYR 34 H TYR 34 1.168 -6.974 0.096
263 HA TYR 34 HA TYR 34 2.925 -7.903 -2.023
264 HB2 TYR 34 HB2 TYR 34 0.758 -6.826 -2.447
265 HB3 TYR 34 HB3 TYR 34 1.380 -5.314 -1.784
266 HD1 TYR 34 HD1 TYR 34 1.645 -7.693 -4.670
267 HD2 TYR 34 HD2 TYR 34 2.931 -3.928 -3.007
268 HE1 TYR 34 HE1 TYR 34 2.559 -7.036 -6.880
269 HE2 TYR 34 HE2 TYR 34 3.849 -3.284 -5.196
270 HH TYR 34 HH TYR 34 4.099 -5.346 -7.980
271 H ALA 35 H ALA 35 3.179 -5.116 0.218
272 HA ALA 35 HA ALA 35 5.533 -4.028 -1.042
273 HB1 ALA 35 HB1 ALA 35 5.748 -2.733 1.025
274 HB2 ALA 35 HB2 ALA 35 4.077 -2.767 0.478
275 HB3 ALA 35 HB3 ALA 35 4.600 -3.825 1.833
276 H ASN 36 H ASN 36 5.069 -6.227 1.721
277 HA ASN 36 HA ASN 36 7.815 -6.665 2.303
278 HB2 ASN 36 HB2 ASN 36 6.909 -7.794 3.981
279 HB3 ASN 36 HB3 ASN 36 5.326 -7.768 3.223
280 HD21 ASN 36 HD21 ASN 36 5.012 -9.501 1.423
281 HD22 ASN 36 HD22 ASN 36 5.868 -10.989 1.623
282 H ASP 37 H ASP 37 5.750 -8.022 -0.235
283 HA ASP 37 HA ASP 37 7.435 -10.183 -1.044
284 HB2 ASP 37 HB2 ASP 37 5.068 -9.914 -1.822
285 HB3 ASP 37 HB3 ASP 37 5.568 -8.522 -2.772
286 H ASN 38 H ASN 38 7.220 -6.776 -1.952
287 HA ASN 38 HA ASN 38 9.446 -6.873 -3.866
288 HB2 ASN 38 HB2 ASN 38 7.863 -4.550 -2.668
289 HB3 ASN 38 HB3 ASN 38 9.152 -4.375 -3.854
290 HD21 ASN 38 HD21 ASN 38 5.870 -5.733 -3.389
291 HD22 ASN 38 HD22 ASN 38 5.442 -5.620 -5.050
292 H GLY 39 H GLY 39 9.288 -6.952 -0.504
293 HA2 GLY 39 HA2 GLY 39 10.870 -6.767 1.146
294 HA3 GLY 39 HA3 GLY 39 12.087 -6.408 -0.102
295 H VAL 40 H VAL 40 9.010 -4.734 0.750
296 HA VAL 40 HA VAL 40 10.528 -2.302 1.524
297 HB VAL 40 HB VAL 40 7.789 -2.462 0.223
298 HG11 VAL 40 HG11 VAL 40 8.021 -0.053 -0.095
299 HG12 VAL 40 HG12 VAL 40 8.125 -0.483 1.610
300 HG13 VAL 40 HG13 VAL 40 9.607 -0.095 0.698
301 HG21 VAL 40 HG21 VAL 40 8.733 -1.708 -1.859
302 HG22 VAL 40 HG22 VAL 40 10.386 -1.722 -1.178
303 HG23 VAL 40 HG23 VAL 40 9.457 -3.227 -1.422
304 H ASP 41 H ASP 41 10.160 -1.875 3.698
305 HA ASP 41 HA ASP 41 7.443 -2.006 4.674
306 HB2 ASP 41 HB2 ASP 41 8.113 -4.346 4.949
307 HB3 ASP 41 HB3 ASP 41 9.532 -3.812 5.854
308 H GLY 42 H GLY 42 7.544 0.052 5.184
309 HA2 GLY 42 HA2 GLY 42 9.528 0.952 7.243
310 HA3 GLY 42 HA3 GLY 42 9.175 1.928 5.842
311 H GLU 43 H GLU 43 8.193 3.677 6.621
312 HA GLU 43 HA GLU 43 6.066 3.448 8.627
313 HB2 GLU 43 HB2 GLU 43 7.660 5.327 8.769
314 HB3 GLU 43 HB3 GLU 43 7.214 5.873 7.151
315 HG2 GLU 43 HG2 GLU 43 4.914 6.348 7.869
316 HG3 GLU 43 HG3 GLU 43 5.218 5.594 9.438
317 H TRP 44 H TRP 44 4.126 2.839 7.955
318 HA TRP 44 HA TRP 44 3.200 3.289 5.213
319 HB2 TRP 44 HB2 TRP 44 2.057 1.880 7.636
320 HB3 TRP 44 HB3 TRP 44 1.220 2.005 6.093
321 HD1 TRP 44 HD1 TRP 44 4.503 0.532 7.492
322 HE1 TRP 44 HE1 TRP 44 5.285 -1.429 6.077
323 HE3 TRP 44 HE3 TRP 44 0.850 0.679 3.958
324 HZ2 TRP 44 HZ2 TRP 44 4.389 -2.789 3.712
325 HZ3 TRP 44 HZ3 TRP 44 0.845 -0.961 2.092
326 HH2 TRP 44 HH2 TRP 44 2.550 -2.715 1.978
327 H THR 45 H THR 45 1.706 4.810 4.651
328 HA THR 45 HA THR 45 0.298 6.438 6.704
329 HB THR 45 HB THR 45 0.625 8.350 5.253
330 HG1 THR 45 HG1 THR 45 1.854 8.096 3.322
331 HG21 THR 45 HG21 THR 45 3.029 8.673 5.301
332 HG22 THR 45 HG22 THR 45 3.322 6.926 5.337
333 HG23 THR 45 HG23 THR 45 2.589 7.732 6.747
334 H TYR 46 H TYR 46 -1.726 7.635 5.560
335 HA TYR 46 HA TYR 46 -2.896 5.992 3.422
336 HB2 TYR 46 HB2 TYR 46 -3.612 4.892 5.505
337 HB3 TYR 46 HB3 TYR 46 -4.171 6.427 6.144
338 HD1 TYR 46 HD1 TYR 46 -4.626 4.454 2.954
339 HD2 TYR 46 HD2 TYR 46 -6.516 6.661 6.139
340 HE1 TYR 46 HE1 TYR 46 -6.803 4.050 1.908
341 HE2 TYR 46 HE2 TYR 46 -8.744 6.193 5.135
342 HH TYR 46 HH TYR 46 -9.113 4.616 1.970
343 H ASP 47 H ASP 47 -4.273 7.140 2.151
344 HA ASP 47 HA ASP 47 -4.912 9.969 2.805
345 HB2 ASP 47 HB2 ASP 47 -3.776 8.855 0.203
346 HB3 ASP 47 HB3 ASP 47 -4.541 10.428 0.355
347 H ASP 48 H ASP 48 -7.031 9.124 3.380
348 HA ASP 48 HA ASP 48 -8.606 7.369 1.808
349 HB2 ASP 48 HB2 ASP 48 -8.943 8.409 4.213
350 HB3 ASP 48 HB3 ASP 48 -9.896 9.604 3.367
351 H ALA 49 H ALA 49 -8.024 10.743 1.559
352 HA ALA 49 HA ALA 49 -10.035 11.772 -0.080
353 HB1 ALA 49 HB1 ALA 49 -7.038 12.266 -0.276
354 HB2 ALA 49 HB2 ALA 49 -8.297 13.342 -0.927
355 HB3 ALA 49 HB3 ALA 49 -8.165 13.102 0.822
356 H THR 50 H THR 50 -7.483 9.569 -0.996
357 HA THR 50 HA THR 50 -8.616 9.326 -3.732
358 HB THR 50 HB THR 50 -6.764 10.858 -3.931
359 HG1 THR 50 HG1 THR 50 -7.016 9.324 -5.572
360 HG21 THR 50 HG21 THR 50 -4.418 10.190 -3.420
361 HG22 THR 50 HG22 THR 50 -5.060 8.748 -2.610
362 HG23 THR 50 HG23 THR 50 -5.418 10.335 -1.956
363 H LYS 51 H LYS 51 -8.170 7.898 -0.901
364 HA LYS 51 HA LYS 51 -8.001 5.856 -0.050
365 HB2 LYS 51 HB2 LYS 51 -9.123 4.899 -2.710
366 HB3 LYS 51 HB3 LYS 51 -9.256 4.104 -1.128
367 HG2 LYS 51 HG2 LYS 51 -10.379 6.217 -0.299
368 HG3 LYS 51 HG3 LYS 51 -10.431 6.794 -1.968
369 HD2 LYS 51 HD2 LYS 51 -12.504 5.968 -1.897
370 HD3 LYS 51 HD3 LYS 51 -11.674 4.516 -2.406
371 HE2 LYS 51 HE2 LYS 51 -13.227 3.955 -0.641
372 HE3 LYS 51 HE3 LYS 51 -11.592 3.780 0.016
373 HZ1 LYS 51 HZ1 LYS 51 -13.044 5.015 1.573
374 HZ2 LYS 51 HZ2 LYS 51 -13.315 6.163 0.396
375 HZ3 LYS 51 HZ3 LYS 51 -11.862 5.989 1.053
376 H THR 52 H THR 52 -5.640 6.755 -0.617
377 HA THR 52 HA THR 52 -4.222 4.478 -1.855
378 HB THR 52 HB THR 52 -3.563 7.434 -1.828
379 HG1 THR 52 HG1 THR 52 -3.941 7.185 -4.068
380 HG21 THR 52 HG21 THR 52 -1.433 6.350 -1.809
381 HG22 THR 52 HG22 THR 52 -1.771 6.797 -3.475
382 HG23 THR 52 HG23 THR 52 -1.967 5.105 -2.958
383 H PHE 53 H PHE 53 -2.172 3.964 -0.954
384 HA PHE 53 HA PHE 53 -1.682 4.731 1.889
385 HB2 PHE 53 HB2 PHE 53 -1.622 2.043 0.440
386 HB3 PHE 53 HB3 PHE 53 -0.772 2.289 1.921
387 HD1 PHE 53 HD2 PHE 53 -1.964 2.601 4.076
388 HD2 PHE 53 HD1 PHE 53 -3.988 1.900 0.377
389 HE1 PHE 53 HE2 PHE 53 -3.953 1.799 5.360
390 HE2 PHE 53 HE1 PHE 53 -6.006 1.021 1.651
391 HZ PHE 53 HZ PHE 53 -5.955 0.983 4.137
392 H THR 54 H THR 54 0.656 4.922 2.342
393 HA THR 54 HA THR 54 2.397 4.412 0.031
394 HB THR 54 HB THR 54 2.437 7.012 1.580
395 HG1 THR 54 HG1 THR 54 1.111 6.174 -0.677
396 HG21 THR 54 HG21 THR 54 4.010 6.093 -0.850
397 HG22 THR 54 HG22 THR 54 4.623 6.388 0.770
398 HG23 THR 54 HG23 THR 54 3.983 7.732 -0.189
399 H VAL 55 H VAL 55 4.338 3.473 0.669
400 HA VAL 55 HA VAL 55 4.771 3.279 3.623
401 HB VAL 55 HB VAL 55 4.001 1.179 2.953
402 HG11 VAL 55 HG11 VAL 55 4.368 1.251 0.530
403 HG12 VAL 55 HG12 VAL 55 6.110 1.037 0.789
404 HG13 VAL 55 HG13 VAL 55 4.974 -0.240 1.272
405 HG21 VAL 55 HG21 VAL 55 7.044 1.095 3.201
406 HG22 VAL 55 HG22 VAL 55 5.882 1.226 4.540
407 HG23 VAL 55 HG23 VAL 55 5.938 -0.244 3.539
408 H THR 56 H THR 56 6.381 4.549 4.145
409 HA THR 56 HA THR 56 8.447 5.146 2.136
410 HB THR 56 HB THR 56 8.608 6.389 4.813
411 HG1 THR 56 HG1 THR 56 6.434 6.572 4.670
412 HG21 THR 56 HG21 THR 56 9.060 8.366 3.401
413 HG22 THR 56 HG22 THR 56 8.681 7.423 1.945
414 HG23 THR 56 HG23 THR 56 10.065 6.973 2.946
415 H GLU 57 H GLU 57 9.793 3.303 2.199
416 HA GLU 57 HA GLU 57 10.398 1.581 4.363
417 HB2 GLU 57 HB2 GLU 57 10.807 1.306 1.804
418 HB3 GLU 57 HB3 GLU 57 12.249 2.241 2.150
419 HG2 GLU 57 HG2 GLU 57 12.494 0.311 4.017
420 HG3 GLU 57 HG3 GLU 57 11.606 -0.555 2.763
Start of MODEL 9
1 H1 MET 1 H MET 1 -16.298 0.374 0.485
2 HA MET 1 HA MET 1 -14.134 -1.441 -0.321
3 HB2 MET 1 HB2 MET 1 -16.382 -2.480 -0.185
4 HB3 MET 1 HB3 MET 1 -16.993 -1.327 -1.367
5 HG2 MET 1 HG2 MET 1 -15.787 -2.329 -3.141
6 HG3 MET 1 HG3 MET 1 -14.585 -2.967 -2.065
7 HE1 MET 1 HE1 MET 1 -14.131 -5.266 -2.397
8 HE2 MET 1 HE2 MET 1 -15.281 -6.353 -3.207
9 HE3 MET 1 HE3 MET 1 -14.792 -4.831 -3.980
10 H GLY 2 H GLY 2 -13.737 -1.357 -2.809
11 HA2 GLY 2 HA2 GLY 2 -14.177 0.177 -4.773
12 HA3 GLY 2 HA3 GLY 2 -13.605 1.473 -3.692
13 H THR 3 H THR 3 -12.106 1.478 -5.714
14 HA THR 3 HA THR 3 -9.993 -0.530 -5.602
15 HB THR 3 HB THR 3 -9.988 2.015 -7.234
16 HG1 THR 3 HG1 THR 3 -11.032 0.640 -8.860
17 HG21 THR 3 HG21 THR 3 -7.926 0.653 -7.199
18 HG22 THR 3 HG22 THR 3 -8.677 0.606 -8.795
19 HG23 THR 3 HG23 THR 3 -8.850 -0.781 -7.697
20 H TYR 4 H TYR 4 -8.367 -0.357 -4.224
21 HA TYR 4 HA TYR 4 -7.732 2.258 -2.942
22 HB2 TYR 4 HB2 TYR 4 -7.135 -0.614 -2.111
23 HB3 TYR 4 HB3 TYR 4 -6.428 0.828 -1.397
24 HD1 TYR 4 HD2 TYR 4 -9.765 -0.876 -1.887
25 HD2 TYR 4 HD1 TYR 4 -7.384 1.857 0.464
26 HE1 TYR 4 HE2 TYR 4 -11.581 -0.686 -0.252
27 HE2 TYR 4 HE1 TYR 4 -9.122 1.870 2.205
28 HH TYR 4 HH TYR 4 -11.323 1.161 2.788
29 H LYS 5 H LYS 5 -5.348 2.698 -2.813
30 HA LYS 5 HA LYS 5 -3.739 1.387 -4.957
31 HB2 LYS 5 HB2 LYS 5 -4.786 3.688 -5.522
32 HB3 LYS 5 HB3 LYS 5 -3.780 4.351 -4.263
33 HG2 LYS 5 HG2 LYS 5 -1.736 3.473 -5.560
34 HG3 LYS 5 HG3 LYS 5 -2.855 3.086 -6.868
35 HD2 LYS 5 HD2 LYS 5 -3.602 5.604 -6.649
36 HD3 LYS 5 HD3 LYS 5 -2.127 5.774 -5.692
37 HE2 LYS 5 HE2 LYS 5 -1.471 6.390 -7.846
38 HE3 LYS 5 HE3 LYS 5 -0.858 4.751 -7.691
39 HZ1 LYS 5 HZ1 LYS 5 -3.462 5.375 -8.957
40 HZ2 LYS 5 HZ2 LYS 5 -2.578 4.001 -9.136
41 HZ3 LYS 5 HZ3 LYS 5 -2.081 5.411 -9.807
42 H LEU 6 H LEU 6 -1.474 1.332 -4.594
43 HA LEU 6 HA LEU 6 -0.544 2.108 -1.858
44 HB2 LEU 6 HB2 LEU 6 -0.791 -0.384 -2.093
45 HB3 LEU 6 HB3 LEU 6 0.183 -0.297 -3.538
46 HG LEU 6 HG LEU 6 2.148 0.445 -2.228
47 HD11 LEU 6 HD11 LEU 6 0.339 0.143 0.197
48 HD12 LEU 6 HD12 LEU 6 1.120 1.627 -0.351
49 HD13 LEU 6 HD13 LEU 6 2.100 0.301 0.259
50 HD21 LEU 6 HD21 LEU 6 2.427 -1.700 -0.917
51 HD22 LEU 6 HD22 LEU 6 2.005 -1.881 -2.623
52 HD23 LEU 6 HD23 LEU 6 0.774 -2.116 -1.371
53 H ILE 7 H ILE 7 1.268 3.188 -1.818
54 HA ILE 7 HA ILE 7 2.848 3.541 -4.323
55 HB ILE 7 HB ILE 7 2.363 5.565 -2.129
56 HG12 ILE 7 HG12 ILE 7 1.319 5.436 -5.001
57 HG13 ILE 7 HG13 ILE 7 0.361 5.290 -3.532
58 HG21 ILE 7 HG21 ILE 7 3.685 7.103 -3.500
59 HG22 ILE 7 HG22 ILE 7 4.638 5.671 -3.181
60 HG23 ILE 7 HG23 ILE 7 3.855 5.864 -4.768
61 HD11 ILE 7 HD11 ILE 7 1.780 7.797 -4.505
62 HD12 ILE 7 HD12 ILE 7 0.044 7.493 -4.450
63 HD13 ILE 7 HD13 ILE 7 0.955 7.644 -2.934
64 H LEU 8 H LEU 8 4.561 2.317 -4.133
65 HA LEU 8 HA LEU 8 5.718 1.608 -1.507
66 HB2 LEU 8 HB2 LEU 8 6.311 0.766 -4.392
67 HB3 LEU 8 HB3 LEU 8 7.174 0.148 -3.014
68 HG LEU 8 HG LEU 8 4.142 -0.117 -3.256
69 HD11 LEU 8 HD11 LEU 8 4.415 -2.326 -4.213
70 HD12 LEU 8 HD12 LEU 8 6.170 -2.115 -4.292
71 HD13 LEU 8 HD13 LEU 8 5.103 -1.106 -5.293
72 HD21 LEU 8 HD21 LEU 8 6.256 -1.764 -1.804
73 HD22 LEU 8 HD22 LEU 8 4.511 -2.065 -1.807
74 HD23 LEU 8 HD23 LEU 8 5.154 -0.591 -1.063
75 H ASN 9 H ASN 9 6.963 3.313 -0.778
76 HA ASN 9 HA ASN 9 8.749 4.779 -2.710
77 HB2 ASN 9 HB2 ASN 9 7.472 5.513 -0.048
78 HB3 ASN 9 HB3 ASN 9 8.918 6.328 -0.620
79 HD21 ASN 9 HD21 ASN 9 6.658 7.704 -0.023
80 HD22 ASN 9 HD22 ASN 9 6.182 8.514 -1.489
81 H GLY 10 H GLY 10 10.062 2.560 -2.495
82 HA2 GLY 10 HA2 GLY 10 11.308 2.288 0.090
83 HA3 GLY 10 HA3 GLY 10 11.619 1.321 -1.341
84 H LYS 11 H LYS 11 13.622 2.366 0.438
85 HA LYS 11 HA LYS 11 14.793 4.758 -0.700
86 HB2 LYS 11 HB2 LYS 11 16.045 2.518 0.958
87 HB3 LYS 11 HB3 LYS 11 16.753 4.083 0.641
88 HG2 LYS 11 HG2 LYS 11 14.248 3.552 2.287
89 HG3 LYS 11 HG3 LYS 11 15.841 3.994 2.875
90 HD2 LYS 11 HD2 LYS 11 14.823 6.044 2.962
91 HD3 LYS 11 HD3 LYS 11 15.575 6.114 1.367
92 HE2 LYS 11 HE2 LYS 11 13.377 7.009 1.126
93 HE3 LYS 11 HE3 LYS 11 13.331 5.401 0.387
94 HZ1 LYS 11 HZ1 LYS 11 12.293 6.200 3.018
95 HZ2 LYS 11 HZ2 LYS 11 12.483 4.667 2.680
96 HZ3 LYS 11 HZ3 LYS 11 11.427 5.550 1.759
97 H THR 12 H THR 12 14.805 1.346 -1.492
98 HA THR 12 HA THR 12 16.911 1.794 -3.538
99 HB THR 12 HB THR 12 17.083 -0.674 -3.519
100 HG1 THR 12 HG1 THR 12 15.544 -0.511 -1.135
101 HG21 THR 12 HG21 THR 12 17.559 0.616 -0.809
102 HG22 THR 12 HG22 THR 12 18.659 0.673 -2.209
103 HG23 THR 12 HG23 THR 12 18.311 -0.877 -1.422
104 H LEU 13 H LEU 13 13.686 0.112 -3.081
105 HA LEU 13 HA LEU 13 13.318 0.570 -6.027
106 HB2 LEU 13 HB2 LEU 13 13.733 -1.776 -5.553
107 HB3 LEU 13 HB3 LEU 13 12.492 -1.757 -4.303
108 HG LEU 13 HG LEU 13 10.748 -1.322 -6.023
109 HD11 LEU 13 HD11 LEU 13 11.901 -0.293 -7.830
110 HD12 LEU 13 HD12 LEU 13 11.412 -1.883 -8.417
111 HD13 LEU 13 HD13 LEU 13 13.089 -1.611 -7.912
112 HD21 LEU 13 HD21 LEU 13 10.736 -3.616 -6.879
113 HD22 LEU 13 HD22 LEU 13 11.308 -3.620 -5.196
114 HD23 LEU 13 HD23 LEU 13 12.464 -3.788 -6.519
115 H LYS 14 H LYS 14 11.546 1.532 -6.693
116 HA LYS 14 HA LYS 14 9.370 2.046 -4.735
117 HB2 LYS 14 HB2 LYS 14 10.370 3.940 -6.925
118 HB3 LYS 14 HB3 LYS 14 8.964 4.166 -5.892
119 HG2 LYS 14 HG2 LYS 14 10.263 5.423 -4.654
120 HG3 LYS 14 HG3 LYS 14 10.812 3.916 -3.953
121 HD2 LYS 14 HD2 LYS 14 12.223 5.359 -6.245
122 HD3 LYS 14 HD3 LYS 14 12.584 5.614 -4.531
123 HE2 LYS 14 HE2 LYS 14 13.139 3.212 -4.275
124 HE3 LYS 14 HE3 LYS 14 12.895 2.991 -6.016
125 HZ1 LYS 14 HZ1 LYS 14 14.671 4.384 -6.483
126 HZ2 LYS 14 HZ2 LYS 14 15.202 3.288 -5.424
127 HZ3 LYS 14 HZ3 LYS 14 14.908 4.850 -4.915
128 H GLY 15 H GLY 15 7.230 2.150 -5.681
129 HA2 GLY 15 HA2 GLY 15 6.692 1.594 -8.431
130 HA3 GLY 15 HA3 GLY 15 6.626 0.097 -7.476
131 H GLU 16 H GLU 16 4.258 0.517 -8.432
132 HA GLU 16 HA GLU 16 2.649 1.509 -6.208
133 HB2 GLU 16 HB2 GLU 16 2.457 2.620 -9.051
134 HB3 GLU 16 HB3 GLU 16 1.120 2.703 -7.894
135 HG2 GLU 16 HG2 GLU 16 2.507 3.958 -6.319
136 HG3 GLU 16 HG3 GLU 16 3.878 3.892 -7.417
137 H THR 17 H THR 17 0.498 0.587 -6.262
138 HA THR 17 HA THR 17 -0.216 -1.279 -8.356
139 HB THR 17 HB THR 17 1.363 -2.592 -6.912
140 HG1 THR 17 HG1 THR 17 -0.303 -4.307 -6.528
141 HG21 THR 17 HG21 THR 17 0.479 -3.490 -4.701
142 HG22 THR 17 HG22 THR 17 -0.743 -2.209 -4.740
143 HG23 THR 17 HG23 THR 17 1.005 -1.822 -4.710
144 H THR 18 H THR 18 -2.492 -2.218 -7.825
145 HA THR 18 HA THR 18 -3.997 -0.569 -5.907
146 HB THR 18 HB THR 18 -5.813 -0.349 -7.663
147 HG1 THR 18 HG1 THR 18 -5.496 -1.379 -9.391
148 HG21 THR 18 HG21 THR 18 -4.833 1.554 -8.893
149 HG22 THR 18 HG22 THR 18 -3.222 1.116 -8.284
150 HG23 THR 18 HG23 THR 18 -4.514 1.612 -7.152
151 H THR 19 H THR 19 -5.934 -1.620 -5.213
152 HA THR 19 HA THR 19 -6.513 -4.236 -6.276
153 HB THR 19 HB THR 19 -4.591 -4.399 -4.501
154 HG1 THR 19 HG1 THR 19 -5.821 -6.085 -5.512
155 HG21 THR 19 HG21 THR 19 -5.227 -4.616 -2.218
156 HG22 THR 19 HG22 THR 19 -6.957 -4.464 -2.596
157 HG23 THR 19 HG23 THR 19 -5.879 -3.067 -2.777
158 H GLU 20 H GLU 20 -8.717 -4.901 -5.712
159 HA GLU 20 HA GLU 20 -10.312 -2.605 -4.694
160 HB2 GLU 20 HB2 GLU 20 -11.023 -5.019 -6.379
161 HB3 GLU 20 HB3 GLU 20 -12.239 -4.040 -5.511
162 HG2 GLU 20 HG2 GLU 20 -11.514 -2.010 -6.631
163 HG3 GLU 20 HG3 GLU 20 -10.195 -2.868 -7.444
164 H ALA 21 H ALA 21 -10.401 -2.679 -2.584
165 HA ALA 21 HA ALA 21 -10.634 -5.308 -1.186
166 HB1 ALA 21 HB1 ALA 21 -9.851 -2.666 0.063
167 HB2 ALA 21 HB2 ALA 21 -9.646 -4.285 0.714
168 HB3 ALA 21 HB3 ALA 21 -8.648 -3.752 -0.661
169 H VAL 22 H VAL 22 -12.116 -5.458 0.433
170 HA VAL 22 HA VAL 22 -14.596 -4.059 0.022
171 HB VAL 22 HB VAL 22 -14.449 -6.424 0.512
172 HG11 VAL 22 HG11 VAL 22 -14.034 -7.314 2.741
173 HG12 VAL 22 HG12 VAL 22 -12.616 -6.482 2.139
174 HG13 VAL 22 HG13 VAL 22 -13.648 -5.704 3.353
175 HG21 VAL 22 HG21 VAL 22 -16.045 -4.961 2.622
176 HG22 VAL 22 HG22 VAL 22 -16.495 -5.058 0.916
177 HG23 VAL 22 HG23 VAL 22 -16.418 -6.535 1.872
178 H ASP 23 H ASP 23 -12.078 -3.974 2.539
179 HA ASP 23 HA ASP 23 -13.027 -1.340 3.386
180 HB2 ASP 23 HB2 ASP 23 -12.981 -1.866 5.759
181 HB3 ASP 23 HB3 ASP 23 -14.255 -2.738 4.907
182 H ALA 24 H ALA 24 -11.442 -0.462 5.094
183 HA ALA 24 HA ALA 24 -8.921 -0.337 3.754
184 HB1 ALA 24 HB1 ALA 24 -8.277 1.176 5.590
185 HB2 ALA 24 HB2 ALA 24 -9.859 1.609 4.914
186 HB3 ALA 24 HB3 ALA 24 -9.752 0.758 6.472
187 H ALA 25 H ALA 25 -10.055 -2.329 6.518
188 HA ALA 25 HA ALA 25 -7.384 -2.941 7.410
189 HB1 ALA 25 HB1 ALA 25 -9.405 -3.335 8.831
190 HB2 ALA 25 HB2 ALA 25 -9.910 -4.638 7.734
191 HB3 ALA 25 HB3 ALA 25 -8.402 -4.784 8.648
192 H THR 26 H THR 26 -9.728 -4.646 5.229
193 HA THR 26 HA THR 26 -8.036 -6.777 4.554
194 HB THR 26 HB THR 26 -9.891 -5.383 2.639
195 HG1 THR 26 HG1 THR 26 -10.690 -7.420 4.452
196 HG21 THR 26 HG21 THR 26 -9.278 -8.341 2.942
197 HG22 THR 26 HG22 THR 26 -8.604 -7.281 1.703
198 HG23 THR 26 HG23 THR 26 -10.347 -7.599 1.732
199 H ALA 27 H ALA 27 -8.308 -3.509 3.110
200 HA ALA 27 HA ALA 27 -6.474 -3.886 0.975
201 HB1 ALA 27 HB1 ALA 27 -7.047 -1.299 2.507
202 HB2 ALA 27 HB2 ALA 27 -6.489 -1.465 0.838
203 HB3 ALA 27 HB3 ALA 27 -8.125 -1.959 1.276
204 H GLU 28 H GLU 28 -5.963 -2.445 4.246
205 HA GLU 28 HA GLU 28 -3.280 -1.821 4.078
206 HB2 GLU 28 HB2 GLU 28 -4.847 -1.210 5.911
207 HB3 GLU 28 HB3 GLU 28 -4.857 -2.890 6.458
208 HG2 GLU 28 HG2 GLU 28 -2.349 -2.670 6.852
209 HG3 GLU 28 HG3 GLU 28 -2.520 -0.949 6.443
210 H LYS 29 H LYS 29 -4.761 -4.916 5.080
211 HA LYS 29 HA LYS 29 -2.293 -6.259 5.680
212 HB2 LYS 29 HB2 LYS 29 -5.090 -7.221 4.968
213 HB3 LYS 29 HB3 LYS 29 -3.804 -8.300 5.531
214 HG2 LYS 29 HG2 LYS 29 -3.610 -7.024 7.623
215 HG3 LYS 29 HG3 LYS 29 -4.832 -5.882 7.121
216 HD2 LYS 29 HD2 LYS 29 -5.307 -8.858 7.493
217 HD3 LYS 29 HD3 LYS 29 -5.691 -7.572 8.671
218 HE2 LYS 29 HE2 LYS 29 -7.258 -6.555 7.164
219 HE3 LYS 29 HE3 LYS 29 -6.886 -7.735 5.890
220 HZ1 LYS 29 HZ1 LYS 29 -7.967 -9.404 7.068
221 HZ2 LYS 29 HZ2 LYS 29 -8.919 -8.116 7.360
222 HZ3 LYS 29 HZ3 LYS 29 -7.887 -8.588 8.517
223 H VAL 30 H VAL 30 -4.394 -6.295 2.734
224 HA VAL 30 HA VAL 30 -2.727 -8.165 1.337
225 HB VAL 30 HB VAL 30 -4.776 -6.083 0.516
226 HG11 VAL 30 HG11 VAL 30 -3.338 -6.093 -1.424
227 HG12 VAL 30 HG12 VAL 30 -3.212 -7.861 -1.371
228 HG13 VAL 30 HG13 VAL 30 -4.760 -7.081 -1.781
229 HG21 VAL 30 HG21 VAL 30 -4.621 -9.133 0.474
230 HG22 VAL 30 HG22 VAL 30 -5.514 -8.147 1.628
231 HG23 VAL 30 HG23 VAL 30 -6.014 -8.185 -0.062
232 H PHE 31 H PHE 31 -2.733 -4.557 1.355
233 HA PHE 31 HA PHE 31 -0.542 -4.345 -0.423
234 HB2 PHE 31 HB2 PHE 31 -1.564 -2.478 1.744
235 HB3 PHE 31 HB3 PHE 31 -0.341 -2.046 0.561
236 HD1 PHE 31 HD1 PHE 31 -1.325 -3.156 -2.015
237 HD2 PHE 31 HD2 PHE 31 -3.443 -1.184 1.199
238 HE1 PHE 31 HE1 PHE 31 -2.962 -2.289 -3.626
239 HE2 PHE 31 HE2 PHE 31 -5.043 -0.315 -0.398
240 HZ PHE 31 HZ PHE 31 -4.822 -0.844 -2.861
241 H LYS 32 H LYS 32 -0.570 -4.664 3.182
242 HA LYS 32 HA LYS 32 2.232 -4.261 3.546
243 HB2 LYS 32 HB2 LYS 32 0.058 -5.684 5.091
244 HB3 LYS 32 HB3 LYS 32 1.724 -6.095 5.430
245 HG2 LYS 32 HG2 LYS 32 1.776 -3.285 5.355
246 HG3 LYS 32 HG3 LYS 32 0.250 -3.655 6.158
247 HD2 LYS 32 HD2 LYS 32 1.406 -5.016 7.820
248 HD3 LYS 32 HD3 LYS 32 2.937 -4.868 6.922
249 HE2 LYS 32 HE2 LYS 32 2.792 -2.364 7.220
250 HE3 LYS 32 HE3 LYS 32 1.397 -2.616 8.276
251 HZ1 LYS 32 HZ1 LYS 32 3.547 -2.403 9.431
252 HZ2 LYS 32 HZ2 LYS 32 4.079 -3.761 8.738
253 HZ3 LYS 32 HZ3 LYS 32 2.794 -3.851 9.768
254 H GLN 33 H GLN 33 0.445 -7.305 2.871
255 HA GLN 33 HA GLN 33 2.719 -8.923 2.905
256 HB2 GLN 33 HB2 GLN 33 0.459 -9.831 3.045
257 HB3 GLN 33 HB3 GLN 33 0.021 -9.122 1.493
258 HG2 GLN 33 HG2 GLN 33 0.348 -11.454 1.142
259 HG3 GLN 33 HG3 GLN 33 1.677 -10.593 0.361
260 HE21 GLN 33 HE21 GLN 33 3.757 -10.671 1.303
261 HE22 GLN 33 HE22 GLN 33 4.259 -11.970 2.372
262 H TYR 34 H TYR 34 1.176 -6.998 0.312
263 HA TYR 34 HA TYR 34 2.863 -8.086 -1.772
264 HB2 TYR 34 HB2 TYR 34 0.668 -6.956 -2.139
265 HB3 TYR 34 HB3 TYR 34 1.406 -5.419 -1.697
266 HD1 TYR 34 HD1 TYR 34 1.454 -8.194 -4.204
267 HD2 TYR 34 HD2 TYR 34 2.795 -4.196 -3.269
268 HE1 TYR 34 HE1 TYR 34 2.162 -7.876 -6.557
269 HE2 TYR 34 HE2 TYR 34 3.512 -3.886 -5.624
270 HH TYR 34 HH TYR 34 3.827 -4.901 -7.661
271 H ALA 35 H ALA 35 3.094 -5.107 0.208
272 HA ALA 35 HA ALA 35 5.410 -4.098 -1.122
273 HB1 ALA 35 HB1 ALA 35 3.917 -2.789 0.322
274 HB2 ALA 35 HB2 ALA 35 4.510 -3.705 1.741
275 HB3 ALA 35 HB3 ALA 35 5.603 -2.644 0.839
276 H ASN 36 H ASN 36 5.064 -6.099 1.872
277 HA ASN 36 HA ASN 36 7.867 -6.206 2.336
278 HB2 ASN 36 HB2 ASN 36 7.147 -7.114 4.225
279 HB3 ASN 36 HB3 ASN 36 5.511 -7.197 3.580
280 HD21 ASN 36 HD21 ASN 36 4.992 -9.154 2.159
281 HD22 ASN 36 HD22 ASN 36 5.793 -10.646 2.658
282 H ASP 37 H ASP 37 5.790 -8.071 0.195
283 HA ASP 37 HA ASP 37 7.554 -10.251 -0.362
284 HB2 ASP 37 HB2 ASP 37 5.112 -10.173 -0.963
285 HB3 ASP 37 HB3 ASP 37 5.457 -8.939 -2.125
286 H ASN 38 H ASN 38 7.210 -6.990 -1.635
287 HA ASN 38 HA ASN 38 9.287 -7.290 -3.701
288 HB2 ASN 38 HB2 ASN 38 7.716 -4.856 -2.735
289 HB3 ASN 38 HB3 ASN 38 8.950 -4.830 -3.989
290 HD21 ASN 38 HD21 ASN 38 5.707 -6.028 -3.230
291 HD22 ASN 38 HD22 ASN 38 5.236 -6.307 -4.854
292 H GLY 39 H GLY 39 9.356 -6.928 -0.354
293 HA2 GLY 39 HA2 GLY 39 11.178 -6.666 1.007
294 HA3 GLY 39 HA3 GLY 39 12.143 -6.057 -0.350
295 H VAL 40 H VAL 40 9.002 -4.666 0.447
296 HA VAL 40 HA VAL 40 10.345 -2.174 1.373
297 HB VAL 40 HB VAL 40 7.617 -2.465 0.115
298 HG11 VAL 40 HG11 VAL 40 7.914 -0.445 1.467
299 HG12 VAL 40 HG12 VAL 40 9.382 -0.034 0.542
300 HG13 VAL 40 HG13 VAL 40 7.804 -0.035 -0.256
301 HG21 VAL 40 HG21 VAL 40 8.643 -1.482 -1.972
302 HG22 VAL 40 HG22 VAL 40 10.236 -1.823 -1.261
303 HG23 VAL 40 HG23 VAL 40 9.121 -3.151 -1.631
304 H ASP 41 H ASP 41 10.116 -1.880 3.538
305 HA ASP 41 HA ASP 41 7.477 -2.127 4.732
306 HB2 ASP 41 HB2 ASP 41 8.296 -4.402 5.007
307 HB3 ASP 41 HB3 ASP 41 9.802 -3.795 5.707
308 H GLY 42 H GLY 42 7.543 0.002 5.111
309 HA2 GLY 42 HA2 GLY 42 9.611 1.014 7.057
310 HA3 GLY 42 HA3 GLY 42 9.179 1.934 5.632
311 H GLU 43 H GLU 43 8.280 3.658 6.393
312 HA GLU 43 HA GLU 43 6.297 3.566 8.556
313 HB2 GLU 43 HB2 GLU 43 8.061 5.345 8.418
314 HB3 GLU 43 HB3 GLU 43 7.373 5.887 6.883
315 HG2 GLU 43 HG2 GLU 43 5.165 6.253 8.140
316 HG3 GLU 43 HG3 GLU 43 6.056 5.937 9.634
317 H TRP 44 H TRP 44 4.295 3.098 8.033
318 HA TRP 44 HA TRP 44 3.311 3.456 5.276
319 HB2 TRP 44 HB2 TRP 44 2.128 1.992 7.670
320 HB3 TRP 44 HB3 TRP 44 1.290 2.175 6.142
321 HD1 TRP 44 HD1 TRP 44 4.579 0.665 7.468
322 HE1 TRP 44 HE1 TRP 44 5.282 -1.309 6.073
323 HE3 TRP 44 HE3 TRP 44 0.805 0.777 3.953
324 HZ2 TRP 44 HZ2 TRP 44 4.330 -2.738 3.753
325 HZ3 TRP 44 HZ3 TRP 44 0.810 -0.933 2.130
326 HH2 TRP 44 HH2 TRP 44 2.510 -2.662 2.036
327 H THR 45 H THR 45 1.636 4.824 4.705
328 HA THR 45 HA THR 45 0.497 6.623 6.768
329 HB THR 45 HB THR 45 0.816 8.499 5.321
330 HG1 THR 45 HG1 THR 45 2.002 8.103 3.293
331 HG21 THR 45 HG21 THR 45 2.875 7.770 6.596
332 HG22 THR 45 HG22 THR 45 3.200 8.739 5.164
333 HG23 THR 45 HG23 THR 45 3.457 6.980 5.118
334 H TYR 46 H TYR 46 -1.434 7.951 5.265
335 HA TYR 46 HA TYR 46 -2.740 6.187 3.468
336 HB2 TYR 46 HB2 TYR 46 -3.361 5.100 5.662
337 HB3 TYR 46 HB3 TYR 46 -4.141 6.616 6.127
338 HD1 TYR 46 HD1 TYR 46 -4.066 4.533 2.977
339 HD2 TYR 46 HD2 TYR 46 -6.500 6.304 6.060
340 HE1 TYR 46 HE1 TYR 46 -6.087 3.857 1.743
341 HE2 TYR 46 HE2 TYR 46 -8.529 5.545 4.881
342 HH TYR 46 HH TYR 46 -9.288 4.969 2.682
343 H ASP 47 H ASP 47 -4.154 7.234 2.273
344 HA ASP 47 HA ASP 47 -4.989 10.030 2.866
345 HB2 ASP 47 HB2 ASP 47 -3.906 8.838 0.264
346 HB3 ASP 47 HB3 ASP 47 -4.679 10.411 0.407
347 H ASP 48 H ASP 48 -6.966 8.902 3.625
348 HA ASP 48 HA ASP 48 -8.408 7.044 2.053
349 HB2 ASP 48 HB2 ASP 48 -8.843 7.844 4.500
350 HB3 ASP 48 HB3 ASP 48 -9.840 9.081 3.779
351 H ALA 49 H ALA 49 -8.216 10.425 1.989
352 HA ALA 49 HA ALA 49 -10.353 11.388 0.475
353 HB1 ALA 49 HB1 ALA 49 -8.840 13.182 -0.254
354 HB2 ALA 49 HB2 ALA 49 -8.457 12.750 1.426
355 HB3 ALA 49 HB3 ALA 49 -7.427 12.164 0.103
356 H THR 50 H THR 50 -7.660 9.446 -0.614
357 HA THR 50 HA THR 50 -8.836 9.126 -3.297
358 HB THR 50 HB THR 50 -7.172 10.888 -3.482
359 HG1 THR 50 HG1 THR 50 -6.123 8.527 -4.586
360 HG21 THR 50 HG21 THR 50 -5.261 8.890 -2.223
361 HG22 THR 50 HG22 THR 50 -5.668 10.519 -1.681
362 HG23 THR 50 HG23 THR 50 -4.720 10.313 -3.153
363 H LYS 51 H LYS 51 -8.609 7.613 -0.667
364 HA LYS 51 HA LYS 51 -7.953 5.682 0.256
365 HB2 LYS 51 HB2 LYS 51 -9.019 4.604 -2.387
366 HB3 LYS 51 HB3 LYS 51 -8.984 3.776 -0.827
367 HG2 LYS 51 HG2 LYS 51 -10.458 5.752 0.034
368 HG3 LYS 51 HG3 LYS 51 -10.670 6.166 -1.658
369 HD2 LYS 51 HD2 LYS 51 -12.546 4.779 -1.265
370 HD3 LYS 51 HD3 LYS 51 -11.395 3.694 -2.006
371 HE2 LYS 51 HE2 LYS 51 -12.437 2.636 -0.047
372 HE3 LYS 51 HE3 LYS 51 -10.696 2.835 0.159
373 HZ1 LYS 51 HZ1 LYS 51 -12.708 4.634 1.405
374 HZ2 LYS 51 HZ2 LYS 51 -11.114 4.712 1.640
375 HZ3 LYS 51 HZ3 LYS 51 -11.955 3.416 2.172
376 H THR 52 H THR 52 -5.626 6.627 -0.230
377 HA THR 52 HA THR 52 -4.145 4.440 -1.590
378 HB THR 52 HB THR 52 -3.530 7.412 -1.518
379 HG1 THR 52 HG1 THR 52 -5.248 6.537 -2.990
380 HG21 THR 52 HG21 THR 52 -2.041 5.140 -2.896
381 HG22 THR 52 HG22 THR 52 -1.423 6.205 -1.617
382 HG23 THR 52 HG23 THR 52 -1.777 6.868 -3.206
383 H PHE 53 H PHE 53 -2.301 3.647 -0.540
384 HA PHE 53 HA PHE 53 -1.586 4.918 2.088
385 HB2 PHE 53 HB2 PHE 53 -0.999 2.034 1.396
386 HB3 PHE 53 HB3 PHE 53 -0.713 2.867 2.851
387 HD1 PHE 53 HD1 PHE 53 -3.784 2.087 0.805
388 HD2 PHE 53 HD2 PHE 53 -1.898 2.257 4.654
389 HE1 PHE 53 HE1 PHE 53 -5.787 0.993 1.840
390 HE2 PHE 53 HE2 PHE 53 -3.900 1.236 5.703
391 HZ PHE 53 HZ PHE 53 -5.848 0.583 4.291
392 H THR 54 H THR 54 0.743 5.071 2.416
393 HA THR 54 HA THR 54 2.402 4.611 0.005
394 HB THR 54 HB THR 54 2.304 7.213 1.542
395 HG1 THR 54 HG1 THR 54 1.267 8.009 -0.145
396 HG21 THR 54 HG21 THR 54 3.823 8.040 -0.231
397 HG22 THR 54 HG22 THR 54 4.028 6.365 -0.799
398 HG23 THR 54 HG23 THR 54 4.558 6.827 0.830
399 H VAL 55 H VAL 55 4.061 3.341 0.632
400 HA VAL 55 HA VAL 55 4.831 3.314 3.515
401 HB VAL 55 HB VAL 55 3.936 1.232 2.886
402 HG11 VAL 55 HG11 VAL 55 4.225 1.232 0.455
403 HG12 VAL 55 HG12 VAL 55 5.955 0.925 0.683
404 HG13 VAL 55 HG13 VAL 55 4.755 -0.265 1.243
405 HG21 VAL 55 HG21 VAL 55 5.857 1.231 4.423
406 HG22 VAL 55 HG22 VAL 55 5.865 -0.247 3.430
407 HG23 VAL 55 HG23 VAL 55 6.982 1.077 3.062
408 H THR 56 H THR 56 6.533 4.523 3.884
409 HA THR 56 HA THR 56 8.575 4.800 1.772
410 HB THR 56 HB THR 56 8.221 6.365 4.251
411 HG1 THR 56 HG1 THR 56 6.653 7.451 3.344
412 HG21 THR 56 HG21 THR 56 10.300 6.892 3.164
413 HG22 THR 56 HG22 THR 56 9.180 8.224 2.893
414 HG23 THR 56 HG23 THR 56 9.473 7.077 1.574
415 H GLU 57 H GLU 57 9.842 3.174 2.005
416 HA GLU 57 HA GLU 57 10.339 1.420 4.097
417 HB2 GLU 57 HB2 GLU 57 10.936 1.109 1.663
418 HB3 GLU 57 HB3 GLU 57 12.404 2.025 1.968
419 HG2 GLU 57 HG2 GLU 57 11.618 -0.319 3.718
420 HG3 GLU 57 HG3 GLU 57 12.207 -0.616 2.095
Start of MODEL 10
1 H1 MET 1 H MET 1 -17.312 -0.082 0.237
2 HA MET 1 HA MET 1 -14.779 -1.601 0.009
3 HB2 MET 1 HB2 MET 1 -16.762 -2.975 -0.345
4 HB3 MET 1 HB3 MET 1 -17.376 -1.877 -1.571
5 HG2 MET 1 HG2 MET 1 -15.868 -2.624 -3.160
6 HG3 MET 1 HG3 MET 1 -14.634 -2.989 -1.959
7 HE1 MET 1 HE1 MET 1 -14.575 -6.360 -3.385
8 HE2 MET 1 HE2 MET 1 -14.601 -4.774 -4.183
9 HE3 MET 1 HE3 MET 1 -13.694 -5.002 -2.673
10 H GLY 2 H GLY 2 -14.212 -1.361 -2.660
11 HA2 GLY 2 HA2 GLY 2 -14.472 0.491 -4.356
12 HA3 GLY 2 HA3 GLY 2 -13.875 1.534 -3.041
13 H THR 3 H THR 3 -12.277 1.838 -4.811
14 HA THR 3 HA THR 3 -10.264 -0.321 -5.027
15 HB THR 3 HB THR 3 -10.414 2.385 -6.408
16 HG1 THR 3 HG1 THR 3 -12.160 0.662 -6.569
17 HG21 THR 3 HG21 THR 3 -8.987 -0.216 -7.174
18 HG22 THR 3 HG22 THR 3 -8.199 1.266 -6.586
19 HG23 THR 3 HG23 THR 3 -9.033 1.285 -8.135
20 H TYR 4 H TYR 4 -8.284 -0.168 -4.221
21 HA TYR 4 HA TYR 4 -7.505 2.190 -2.609
22 HB2 TYR 4 HB2 TYR 4 -7.195 -0.801 -2.127
23 HB3 TYR 4 HB3 TYR 4 -6.241 0.392 -1.288
24 HD1 TYR 4 HD1 TYR 4 -7.218 2.028 0.262
25 HD2 TYR 4 HD2 TYR 4 -9.569 -1.101 -1.551
26 HE1 TYR 4 HE1 TYR 4 -8.884 2.234 2.089
27 HE2 TYR 4 HE2 TYR 4 -11.243 -0.908 0.247
28 HH TYR 4 HH TYR 4 -11.938 0.351 2.056
29 H LYS 5 H LYS 5 -5.236 2.669 -2.731
30 HA LYS 5 HA LYS 5 -3.673 1.369 -4.916
31 HB2 LYS 5 HB2 LYS 5 -4.556 3.499 -5.736
32 HB3 LYS 5 HB3 LYS 5 -4.000 4.322 -4.288
33 HG2 LYS 5 HG2 LYS 5 -1.649 3.914 -4.894
34 HG3 LYS 5 HG3 LYS 5 -2.141 2.982 -6.304
35 HD2 LYS 5 HD2 LYS 5 -2.820 5.939 -5.901
36 HD3 LYS 5 HD3 LYS 5 -1.348 5.348 -6.680
37 HE2 LYS 5 HE2 LYS 5 -2.557 5.490 -8.573
38 HE3 LYS 5 HE3 LYS 5 -3.053 3.876 -8.089
39 HZ1 LYS 5 HZ1 LYS 5 -4.529 6.399 -7.933
40 HZ2 LYS 5 HZ2 LYS 5 -4.982 5.202 -6.944
41 HZ3 LYS 5 HZ3 LYS 5 -5.016 4.986 -8.593
42 H LEU 6 H LEU 6 -1.470 1.191 -4.544
43 HA LEU 6 HA LEU 6 -0.486 1.971 -1.828
44 HB2 LEU 6 HB2 LEU 6 -0.779 -0.420 -1.952
45 HB3 LEU 6 HB3 LEU 6 0.003 -0.479 -3.516
46 HG LEU 6 HG LEU 6 2.176 0.171 -2.432
47 HD11 LEU 6 HD11 LEU 6 2.267 0.029 0.105
48 HD12 LEU 6 HD12 LEU 6 0.488 0.139 0.104
49 HD13 LEU 6 HD13 LEU 6 1.483 1.469 -0.513
50 HD21 LEU 6 HD21 LEU 6 1.835 -2.141 -2.755
51 HD22 LEU 6 HD22 LEU 6 0.686 -2.266 -1.416
52 HD23 LEU 6 HD23 LEU 6 2.395 -1.988 -1.078
53 H ILE 7 H ILE 7 1.357 3.018 -1.842
54 HA ILE 7 HA ILE 7 2.932 3.356 -4.354
55 HB ILE 7 HB ILE 7 2.319 5.436 -2.226
56 HG12 ILE 7 HG12 ILE 7 1.406 5.152 -5.121
57 HG13 ILE 7 HG13 ILE 7 0.399 5.025 -3.693
58 HG21 ILE 7 HG21 ILE 7 4.647 5.592 -3.195
59 HG22 ILE 7 HG22 ILE 7 3.930 5.731 -4.811
60 HG23 ILE 7 HG23 ILE 7 3.658 6.985 -3.574
61 HD11 ILE 7 HD11 ILE 7 1.763 7.565 -4.645
62 HD12 ILE 7 HD12 ILE 7 0.056 7.141 -4.807
63 HD13 ILE 7 HD13 ILE 7 0.753 7.386 -3.182
64 H LEU 8 H LEU 8 4.606 2.074 -4.080
65 HA LEU 8 HA LEU 8 5.774 1.524 -1.428
66 HB2 LEU 8 HB2 LEU 8 6.471 0.629 -4.257
67 HB3 LEU 8 HB3 LEU 8 7.270 0.058 -2.823
68 HG LEU 8 HG LEU 8 4.367 -0.339 -3.425
69 HD11 LEU 8 HD11 LEU 8 5.125 -2.722 -3.925
70 HD12 LEU 8 HD12 LEU 8 6.804 -2.214 -3.675
71 HD13 LEU 8 HD13 LEU 8 5.857 -1.556 -5.027
72 HD21 LEU 8 HD21 LEU 8 4.670 -0.484 -1.078
73 HD22 LEU 8 HD22 LEU 8 6.138 -1.479 -1.246
74 HD23 LEU 8 HD23 LEU 8 4.545 -2.128 -1.701
75 H ASN 9 H ASN 9 6.846 3.276 -0.752
76 HA ASN 9 HA ASN 9 8.623 4.824 -2.560
77 HB2 ASN 9 HB2 ASN 9 6.950 5.431 -0.132
78 HB3 ASN 9 HB3 ASN 9 8.472 6.286 -0.278
79 HD21 ASN 9 HD21 ASN 9 6.662 7.962 -0.230
80 HD22 ASN 9 HD22 ASN 9 6.326 8.571 -1.836
81 H GLY 10 H GLY 10 10.043 2.790 -2.372
82 HA2 GLY 10 HA2 GLY 10 11.429 2.703 0.150
83 HA3 GLY 10 HA3 GLY 10 11.697 1.633 -1.197
84 H LYS 11 H LYS 11 13.593 2.670 0.426
85 HA LYS 11 HA LYS 11 15.003 4.937 -0.811
86 HB2 LYS 11 HB2 LYS 11 15.958 2.799 1.166
87 HB3 LYS 11 HB3 LYS 11 16.779 4.332 0.838
88 HG2 LYS 11 HG2 LYS 11 14.069 3.982 2.167
89 HG3 LYS 11 HG3 LYS 11 15.568 4.424 2.964
90 HD2 LYS 11 HD2 LYS 11 15.566 6.624 2.070
91 HD3 LYS 11 HD3 LYS 11 14.474 6.200 0.746
92 HE2 LYS 11 HE2 LYS 11 13.111 7.389 2.204
93 HE3 LYS 11 HE3 LYS 11 12.693 5.675 2.366
94 HZ1 LYS 11 HZ1 LYS 11 12.848 6.658 4.533
95 HZ2 LYS 11 HZ2 LYS 11 14.415 7.166 4.280
96 HZ3 LYS 11 HZ3 LYS 11 13.959 5.574 4.379
97 H THR 12 H THR 12 14.675 1.640 -1.417
98 HA THR 12 HA THR 12 17.061 1.721 -3.251
99 HB THR 12 HB THR 12 17.444 0.483 -1.178
100 HG1 THR 12 HG1 THR 12 17.618 -1.615 -2.791
101 HG21 THR 12 HG21 THR 12 15.318 -1.469 -2.121
102 HG22 THR 12 HG22 THR 12 15.308 -0.452 -0.654
103 HG23 THR 12 HG23 THR 12 16.493 -1.735 -0.821
104 H LEU 13 H LEU 13 13.718 0.409 -2.890
105 HA LEU 13 HA LEU 13 13.581 0.095 -5.840
106 HB2 LEU 13 HB2 LEU 13 13.993 -2.090 -5.011
107 HB3 LEU 13 HB3 LEU 13 12.882 -1.914 -3.653
108 HG LEU 13 HG LEU 13 11.813 -1.766 -6.481
109 HD11 LEU 13 HD11 LEU 13 13.222 -3.811 -6.379
110 HD12 LEU 13 HD12 LEU 13 11.508 -4.182 -6.522
111 HD13 LEU 13 HD13 LEU 13 12.298 -4.353 -4.949
112 HD21 LEU 13 HD21 LEU 13 10.659 -2.803 -3.850
113 HD22 LEU 13 HD22 LEU 13 9.818 -2.872 -5.415
114 HD23 LEU 13 HD23 LEU 13 10.159 -1.321 -4.661
115 H LYS 14 H LYS 14 11.452 0.701 -6.605
116 HA LYS 14 HA LYS 14 9.447 1.540 -4.578
117 HB2 LYS 14 HB2 LYS 14 10.539 3.324 -6.790
118 HB3 LYS 14 HB3 LYS 14 9.077 3.633 -5.841
119 HG2 LYS 14 HG2 LYS 14 10.158 4.191 -3.943
120 HG3 LYS 14 HG3 LYS 14 11.585 3.218 -4.264
121 HD2 LYS 14 HD2 LYS 14 10.952 5.757 -5.768
122 HD3 LYS 14 HD3 LYS 14 11.958 5.646 -4.295
123 HE2 LYS 14 HE2 LYS 14 13.587 4.273 -5.308
124 HE3 LYS 14 HE3 LYS 14 12.571 3.946 -6.725
125 HZ1 LYS 14 HZ1 LYS 14 14.332 5.568 -7.139
126 HZ2 LYS 14 HZ2 LYS 14 13.641 6.633 -6.093
127 HZ3 LYS 14 HZ3 LYS 14 12.854 6.180 -7.452
128 H GLY 15 H GLY 15 7.258 1.894 -5.609
129 HA2 GLY 15 HA2 GLY 15 6.757 1.193 -8.306
130 HA3 GLY 15 HA3 GLY 15 6.595 -0.263 -7.311
131 H GLU 16 H GLU 16 4.317 0.302 -8.454
132 HA GLU 16 HA GLU 16 2.637 1.345 -6.278
133 HB2 GLU 16 HB2 GLU 16 2.692 2.473 -9.117
134 HB3 GLU 16 HB3 GLU 16 1.235 2.515 -8.115
135 HG2 GLU 16 HG2 GLU 16 2.483 3.759 -6.386
136 HG3 GLU 16 HG3 GLU 16 3.878 3.854 -7.473
137 H THR 17 H THR 17 0.528 0.493 -6.336
138 HA THR 17 HA THR 17 -0.351 -1.134 -8.562
139 HB THR 17 HB THR 17 1.094 -2.690 -7.259
140 HG1 THR 17 HG1 THR 17 -0.308 -4.225 -7.733
141 HG21 THR 17 HG21 THR 17 0.613 -1.941 -4.915
142 HG22 THR 17 HG22 THR 17 0.351 -3.671 -5.129
143 HG23 THR 17 HG23 THR 17 -1.030 -2.554 -5.068
144 H THR 18 H THR 18 -2.600 -1.778 -8.251
145 HA THR 18 HA THR 18 -4.081 -0.290 -6.204
146 HB THR 18 HB THR 18 -5.845 -0.098 -8.206
147 HG1 THR 18 HG1 THR 18 -4.416 -1.055 -9.844
148 HG21 THR 18 HG21 THR 18 -4.939 2.162 -8.624
149 HG22 THR 18 HG22 THR 18 -3.363 1.625 -7.952
150 HG23 THR 18 HG23 THR 18 -4.824 1.715 -6.922
151 H THR 19 H THR 19 -5.889 -1.458 -5.386
152 HA THR 19 HA THR 19 -6.540 -4.017 -6.566
153 HB THR 19 HB THR 19 -4.443 -4.132 -4.907
154 HG1 THR 19 HG1 THR 19 -4.832 -6.195 -4.737
155 HG21 THR 19 HG21 THR 19 -4.948 -4.580 -2.643
156 HG22 THR 19 HG22 THR 19 -6.707 -4.620 -2.943
157 HG23 THR 19 HG23 THR 19 -5.814 -3.092 -3.044
158 H GLU 20 H GLU 20 -8.653 -4.758 -5.644
159 HA GLU 20 HA GLU 20 -10.144 -2.449 -4.457
160 HB2 GLU 20 HB2 GLU 20 -10.959 -4.779 -6.213
161 HB3 GLU 20 HB3 GLU 20 -12.124 -3.802 -5.280
162 HG2 GLU 20 HG2 GLU 20 -11.364 -1.755 -6.370
163 HG3 GLU 20 HG3 GLU 20 -10.110 -2.633 -7.258
164 H ALA 21 H ALA 21 -10.762 -2.643 -2.388
165 HA ALA 21 HA ALA 21 -10.820 -5.369 -1.191
166 HB1 ALA 21 HB1 ALA 21 -9.776 -4.333 0.841
167 HB2 ALA 21 HB2 ALA 21 -8.692 -4.381 -0.586
168 HB3 ALA 21 HB3 ALA 21 -9.484 -2.877 -0.116
169 H VAL 22 H VAL 22 -12.198 -5.629 0.496
170 HA VAL 22 HA VAL 22 -14.668 -4.223 0.285
171 HB VAL 22 HB VAL 22 -15.496 -5.706 1.970
172 HG11 VAL 22 HG11 VAL 22 -15.102 -6.634 -0.314
173 HG12 VAL 22 HG12 VAL 22 -13.543 -7.279 0.229
174 HG13 VAL 22 HG13 VAL 22 -15.044 -7.863 0.953
175 HG21 VAL 22 HG21 VAL 22 -13.994 -7.358 3.136
176 HG22 VAL 22 HG22 VAL 22 -12.599 -6.457 2.533
177 HG23 VAL 22 HG23 VAL 22 -13.751 -5.715 3.666
178 H ASP 23 H ASP 23 -12.036 -4.086 2.760
179 HA ASP 23 HA ASP 23 -13.061 -1.519 3.715
180 HB2 ASP 23 HB2 ASP 23 -12.854 -2.166 6.035
181 HB3 ASP 23 HB3 ASP 23 -14.120 -3.077 5.222
182 H ALA 24 H ALA 24 -11.419 -0.639 5.312
183 HA ALA 24 HA ALA 24 -8.958 -0.347 3.929
184 HB1 ALA 24 HB1 ALA 24 -9.748 0.421 6.768
185 HB2 ALA 24 HB2 ALA 24 -8.316 1.010 5.900
186 HB3 ALA 24 HB3 ALA 24 -9.937 1.433 5.314
187 H ALA 25 H ALA 25 -9.894 -2.508 6.670
188 HA ALA 25 HA ALA 25 -7.181 -3.108 7.377
189 HB1 ALA 25 HB1 ALA 25 -9.714 -4.759 7.755
190 HB2 ALA 25 HB2 ALA 25 -8.143 -5.047 8.547
191 HB3 ALA 25 HB3 ALA 25 -9.020 -3.570 8.897
192 H THR 26 H THR 26 -9.531 -4.734 5.204
193 HA THR 26 HA THR 26 -7.851 -6.886 4.375
194 HB THR 26 HB THR 26 -9.894 -5.323 2.764
195 HG1 THR 26 HG1 THR 26 -10.903 -5.938 4.621
196 HG21 THR 26 HG21 THR 26 -8.600 -6.981 1.419
197 HG22 THR 26 HG22 THR 26 -10.320 -7.366 1.529
198 HG23 THR 26 HG23 THR 26 -9.144 -8.254 2.524
199 H ALA 27 H ALA 27 -8.320 -3.551 3.092
200 HA ALA 27 HA ALA 27 -6.596 -3.815 0.916
201 HB1 ALA 27 HB1 ALA 27 -8.215 -1.885 1.378
202 HB2 ALA 27 HB2 ALA 27 -7.100 -1.287 2.602
203 HB3 ALA 27 HB3 ALA 27 -6.600 -1.328 0.912
204 H GLU 28 H GLU 28 -5.907 -2.552 4.184
205 HA GLU 28 HA GLU 28 -3.186 -2.034 3.820
206 HB2 GLU 28 HB2 GLU 28 -4.760 -1.226 5.620
207 HB3 GLU 28 HB3 GLU 28 -4.630 -2.824 6.379
208 HG2 GLU 28 HG2 GLU 28 -2.146 -2.435 6.584
209 HG3 GLU 28 HG3 GLU 28 -2.379 -0.813 5.889
210 H LYS 29 H LYS 29 -4.821 -5.076 4.822
211 HA LYS 29 HA LYS 29 -2.392 -6.499 5.507
212 HB2 LYS 29 HB2 LYS 29 -5.124 -7.448 4.527
213 HB3 LYS 29 HB3 LYS 29 -3.853 -8.542 5.066
214 HG2 LYS 29 HG2 LYS 29 -3.992 -7.862 7.299
215 HG3 LYS 29 HG3 LYS 29 -4.779 -6.341 6.912
216 HD2 LYS 29 HD2 LYS 29 -6.745 -7.836 6.032
217 HD3 LYS 29 HD3 LYS 29 -5.969 -9.133 6.960
218 HE2 LYS 29 HE2 LYS 29 -6.067 -7.702 8.994
219 HE3 LYS 29 HE3 LYS 29 -6.707 -6.378 8.005
220 HZ1 LYS 29 HZ1 LYS 29 -8.547 -7.381 9.070
221 HZ2 LYS 29 HZ2 LYS 29 -8.096 -8.905 8.670
222 HZ3 LYS 29 HZ3 LYS 29 -8.623 -7.894 7.510
223 H VAL 30 H VAL 30 -4.444 -6.443 2.533
224 HA VAL 30 HA VAL 30 -2.812 -8.161 1.014
225 HB VAL 30 HB VAL 30 -4.782 -5.961 0.300
226 HG11 VAL 30 HG11 VAL 30 -3.431 -7.826 -1.692
227 HG12 VAL 30 HG12 VAL 30 -4.845 -6.813 -2.014
228 HG13 VAL 30 HG13 VAL 30 -3.285 -6.056 -1.652
229 HG21 VAL 30 HG21 VAL 30 -6.146 -7.937 -0.321
230 HG22 VAL 30 HG22 VAL 30 -4.762 -8.997 0.077
231 HG23 VAL 30 HG23 VAL 30 -5.579 -8.074 1.348
232 H PHE 31 H PHE 31 -2.745 -4.566 1.180
233 HA PHE 31 HA PHE 31 -0.440 -4.338 -0.499
234 HB2 PHE 31 HB2 PHE 31 -1.730 -2.524 1.561
235 HB3 PHE 31 HB3 PHE 31 -0.321 -2.048 0.629
236 HD1 PHE 31 HD1 PHE 31 -1.653 -3.752 -1.984
237 HD2 PHE 31 HD2 PHE 31 -2.737 -0.453 0.614
238 HE1 PHE 31 HE1 PHE 31 -2.924 -2.785 -3.785
239 HE2 PHE 31 HE2 PHE 31 -4.022 0.534 -1.275
240 HZ PHE 31 HZ PHE 31 -4.100 -0.636 -3.485
241 H LYS 32 H LYS 32 -0.649 -4.680 3.098
242 HA LYS 32 HA LYS 32 2.133 -4.225 3.524
243 HB2 LYS 32 HB2 LYS 32 -0.021 -5.714 5.034
244 HB3 LYS 32 HB3 LYS 32 1.642 -6.138 5.353
245 HG2 LYS 32 HG2 LYS 32 1.751 -3.339 5.369
246 HG3 LYS 32 HG3 LYS 32 0.186 -3.673 6.110
247 HD2 LYS 32 HD2 LYS 32 1.230 -5.075 7.791
248 HD3 LYS 32 HD3 LYS 32 2.781 -5.053 6.928
249 HE2 LYS 32 HE2 LYS 32 2.917 -2.592 7.176
250 HE3 LYS 32 HE3 LYS 32 1.464 -2.611 8.193
251 HZ1 LYS 32 HZ1 LYS 32 3.805 -4.260 8.876
252 HZ2 LYS 32 HZ2 LYS 32 2.661 -3.627 9.895
253 HZ3 LYS 32 HZ3 LYS 32 3.856 -2.695 9.180
254 H GLN 33 H GLN 33 0.393 -7.206 2.717
255 HA GLN 33 HA GLN 33 2.740 -8.811 2.708
256 HB2 GLN 33 HB2 GLN 33 0.270 -9.590 2.708
257 HB3 GLN 33 HB3 GLN 33 0.276 -9.228 0.986
258 HG2 GLN 33 HG2 GLN 33 0.780 -11.496 0.996
259 HG3 GLN 33 HG3 GLN 33 2.385 -10.794 0.882
260 HE21 GLN 33 HE21 GLN 33 3.765 -10.840 2.896
261 HE22 GLN 33 HE22 GLN 33 3.311 -11.946 4.190
262 H TYR 34 H TYR 34 1.107 -6.875 0.162
263 HA TYR 34 HA TYR 34 2.747 -7.762 -1.983
264 HB2 TYR 34 HB2 TYR 34 0.588 -6.356 -2.050
265 HB3 TYR 34 HB3 TYR 34 1.605 -4.950 -1.752
266 HD1 TYR 34 HD2 TYR 34 3.317 -4.256 -3.492
267 HD2 TYR 34 HD1 TYR 34 0.633 -7.574 -4.115
268 HE1 TYR 34 HE2 TYR 34 3.899 -4.274 -5.915
269 HE2 TYR 34 HE1 TYR 34 1.200 -7.595 -6.509
270 HH TYR 34 HH TYR 34 3.612 -5.416 -7.990
271 H ALA 35 H ALA 35 3.138 -5.020 0.209
272 HA ALA 35 HA ALA 35 5.534 -3.999 -1.003
273 HB1 ALA 35 HB1 ALA 35 4.565 -3.749 1.846
274 HB2 ALA 35 HB2 ALA 35 5.783 -2.711 1.078
275 HB3 ALA 35 HB3 ALA 35 4.119 -2.684 0.478
276 H ASN 36 H ASN 36 5.083 -6.064 1.859
277 HA ASN 36 HA ASN 36 7.836 -6.494 2.381
278 HB2 ASN 36 HB2 ASN 36 6.993 -7.548 4.131
279 HB3 ASN 36 HB3 ASN 36 5.378 -7.446 3.461
280 HD21 ASN 36 HD21 ASN 36 4.992 -9.271 1.621
281 HD22 ASN 36 HD22 ASN 36 5.598 -10.830 2.050
282 H ASP 37 H ASP 37 5.674 -8.006 0.000
283 HA ASP 37 HA ASP 37 7.395 -10.180 -0.682
284 HB2 ASP 37 HB2 ASP 37 4.985 -10.032 -1.352
285 HB3 ASP 37 HB3 ASP 37 5.416 -8.770 -2.495
286 H ASN 38 H ASN 38 7.234 -6.804 -1.684
287 HA ASN 38 HA ASN 38 9.347 -7.039 -3.743
288 HB2 ASN 38 HB2 ASN 38 7.821 -4.652 -2.577
289 HB3 ASN 38 HB3 ASN 38 9.101 -4.517 -3.762
290 HD21 ASN 38 HD21 ASN 38 5.820 -5.842 -3.271
291 HD22 ASN 38 HD22 ASN 38 5.401 -5.835 -4.926
292 H GLY 39 H GLY 39 9.327 -7.037 -0.384
293 HA2 GLY 39 HA2 GLY 39 10.971 -6.792 1.186
294 HA3 GLY 39 HA3 GLY 39 12.121 -6.422 -0.122
295 H VAL 40 H VAL 40 9.052 -4.697 0.648
296 HA VAL 40 HA VAL 40 10.597 -2.266 1.364
297 HB VAL 40 HB VAL 40 7.796 -2.525 0.223
298 HG11 VAL 40 HG11 VAL 40 8.031 -0.547 1.603
299 HG12 VAL 40 HG12 VAL 40 9.501 -0.070 0.728
300 HG13 VAL 40 HG13 VAL 40 7.917 -0.085 -0.088
301 HG21 VAL 40 HG21 VAL 40 8.626 -1.663 -1.892
302 HG22 VAL 40 HG22 VAL 40 10.292 -1.605 -1.262
303 HG23 VAL 40 HG23 VAL 40 9.451 -3.162 -1.500
304 H ASP 41 H ASP 41 10.345 -1.775 3.489
305 HA ASP 41 HA ASP 41 7.743 -2.112 4.737
306 HB2 ASP 41 HB2 ASP 41 8.719 -4.311 5.142
307 HB3 ASP 41 HB3 ASP 41 10.154 -3.562 5.837
308 H GLY 42 H GLY 42 7.535 -0.052 5.210
309 HA2 GLY 42 HA2 GLY 42 9.601 1.343 6.788
310 HA3 GLY 42 HA3 GLY 42 8.955 2.022 5.286
311 H GLU 43 H GLU 43 8.282 3.770 6.530
312 HA GLU 43 HA GLU 43 6.157 3.499 8.527
313 HB2 GLU 43 HB2 GLU 43 7.690 5.389 8.702
314 HB3 GLU 43 HB3 GLU 43 7.217 5.989 7.104
315 HG2 GLU 43 HG2 GLU 43 4.963 6.472 7.849
316 HG3 GLU 43 HG3 GLU 43 5.184 5.544 9.331
317 H TRP 44 H TRP 44 4.181 2.925 7.947
318 HA TRP 44 HA TRP 44 3.182 3.323 5.221
319 HB2 TRP 44 HB2 TRP 44 2.026 1.943 7.667
320 HB3 TRP 44 HB3 TRP 44 1.222 2.075 6.109
321 HD1 TRP 44 HD1 TRP 44 4.472 0.511 7.568
322 HE1 TRP 44 HE1 TRP 44 5.241 -1.403 6.122
323 HE3 TRP 44 HE3 TRP 44 0.852 0.777 3.971
324 HZ2 TRP 44 HZ2 TRP 44 4.333 -2.765 3.766
325 HZ3 TRP 44 HZ3 TRP 44 0.845 -0.863 2.107
326 HH2 TRP 44 HH2 TRP 44 2.541 -2.619 1.986
327 H THR 45 H THR 45 1.795 4.879 4.667
328 HA THR 45 HA THR 45 0.339 6.470 6.704
329 HB THR 45 HB THR 45 0.709 8.428 5.406
330 HG1 THR 45 HG1 THR 45 1.764 8.378 3.449
331 HG21 THR 45 HG21 THR 45 2.718 7.669 6.777
332 HG22 THR 45 HG22 THR 45 3.110 8.732 5.408
333 HG23 THR 45 HG23 THR 45 3.395 6.985 5.282
334 H TYR 46 H TYR 46 -1.711 7.634 5.581
335 HA TYR 46 HA TYR 46 -2.823 6.040 3.384
336 HB2 TYR 46 HB2 TYR 46 -3.468 4.786 5.380
337 HB3 TYR 46 HB3 TYR 46 -4.014 6.248 6.173
338 HD1 TYR 46 HD1 TYR 46 -4.636 4.391 2.942
339 HD2 TYR 46 HD2 TYR 46 -6.320 6.611 6.227
340 HE1 TYR 46 HE1 TYR 46 -6.897 4.000 2.028
341 HE2 TYR 46 HE2 TYR 46 -8.594 6.189 5.358
342 HH TYR 46 HH TYR 46 -9.817 5.420 3.577
343 H ASP 47 H ASP 47 -4.374 7.161 2.271
344 HA ASP 47 HA ASP 47 -5.168 9.911 3.105
345 HB2 ASP 47 HB2 ASP 47 -3.943 9.052 0.438
346 HB3 ASP 47 HB3 ASP 47 -4.880 10.523 0.659
347 H ASP 48 H ASP 48 -7.280 9.076 3.546
348 HA ASP 48 HA ASP 48 -8.717 7.243 1.921
349 HB2 ASP 48 HB2 ASP 48 -9.240 8.252 4.301
350 HB3 ASP 48 HB3 ASP 48 -10.163 9.448 3.408
351 H ALA 49 H ALA 49 -8.335 10.678 1.748
352 HA ALA 49 HA ALA 49 -10.340 11.588 0.041
353 HB1 ALA 49 HB1 ALA 49 -8.653 13.325 -0.583
354 HB2 ALA 49 HB2 ALA 49 -8.656 12.984 1.155
355 HB3 ALA 49 HB3 ALA 49 -7.388 12.277 0.121
356 H THR 50 H THR 50 -7.647 9.598 -0.786
357 HA THR 50 HA THR 50 -8.520 9.427 -3.618
358 HB THR 50 HB THR 50 -6.704 11.066 -3.530
359 HG1 THR 50 HG1 THR 50 -6.392 10.195 -5.374
360 HG21 THR 50 HG21 THR 50 -5.485 10.389 -1.542
361 HG22 THR 50 HG22 THR 50 -4.386 10.378 -2.928
362 HG23 THR 50 HG23 THR 50 -5.042 8.855 -2.280
363 H LYS 51 H LYS 51 -8.102 7.905 -0.798
364 HA LYS 51 HA LYS 51 -7.847 5.853 0.005
365 HB2 LYS 51 HB2 LYS 51 -9.118 5.095 -2.653
366 HB3 LYS 51 HB3 LYS 51 -8.838 3.986 -1.297
367 HG2 LYS 51 HG2 LYS 51 -10.105 5.717 0.162
368 HG3 LYS 51 HG3 LYS 51 -10.673 6.408 -1.379
369 HD2 LYS 51 HD2 LYS 51 -11.594 4.231 -2.034
370 HD3 LYS 51 HD3 LYS 51 -10.930 3.472 -0.595
371 HE2 LYS 51 HE2 LYS 51 -13.129 5.566 -0.713
372 HE3 LYS 51 HE3 LYS 51 -13.294 3.842 -0.338
373 HZ1 LYS 51 HZ1 LYS 51 -11.935 4.274 1.684
374 HZ2 LYS 51 HZ2 LYS 51 -13.358 5.046 1.680
375 HZ3 LYS 51 HZ3 LYS 51 -11.998 5.895 1.374
376 H THR 52 H THR 52 -5.553 6.735 -0.403
377 HA THR 52 HA THR 52 -4.083 4.535 -1.750
378 HB THR 52 HB THR 52 -3.408 7.491 -1.669
379 HG1 THR 52 HG1 THR 52 -3.863 7.262 -3.938
380 HG21 THR 52 HG21 THR 52 -1.719 6.867 -3.403
381 HG22 THR 52 HG22 THR 52 -1.990 5.154 -3.001
382 HG23 THR 52 HG23 THR 52 -1.325 6.270 -1.789
383 H PHE 53 H PHE 53 -2.165 3.878 -0.825
384 HA PHE 53 HA PHE 53 -1.581 4.679 1.974
385 HB2 PHE 53 HB2 PHE 53 -1.585 1.995 0.514
386 HB3 PHE 53 HB3 PHE 53 -0.700 2.225 1.983
387 HD1 PHE 53 HD2 PHE 53 -1.854 2.613 4.159
388 HD2 PHE 53 HD1 PHE 53 -3.942 1.788 0.519
389 HE1 PHE 53 HE2 PHE 53 -3.799 1.816 5.493
390 HE2 PHE 53 HE1 PHE 53 -5.913 0.913 1.850
391 HZ PHE 53 HZ PHE 53 -5.819 0.935 4.337
392 H THR 54 H THR 54 0.705 5.026 2.317
393 HA THR 54 HA THR 54 2.459 4.500 -0.012
394 HB THR 54 HB THR 54 2.552 7.056 1.625
395 HG1 THR 54 HG1 THR 54 0.882 7.432 0.373
396 HG21 THR 54 HG21 THR 54 4.713 6.368 0.721
397 HG22 THR 54 HG22 THR 54 4.104 7.786 -0.140
398 HG23 THR 54 HG23 THR 54 4.014 6.183 -0.894
399 H VAL 55 H VAL 55 4.328 3.444 0.649
400 HA VAL 55 HA VAL 55 4.819 3.327 3.600
401 HB VAL 55 HB VAL 55 4.006 1.230 2.971
402 HG11 VAL 55 HG11 VAL 55 4.972 -0.249 1.344
403 HG12 VAL 55 HG12 VAL 55 4.343 1.217 0.560
404 HG13 VAL 55 HG13 VAL 55 6.092 1.020 0.805
405 HG21 VAL 55 HG21 VAL 55 5.880 1.272 4.551
406 HG22 VAL 55 HG22 VAL 55 5.930 -0.213 3.573
407 HG23 VAL 55 HG23 VAL 55 7.048 1.113 3.213
408 H THR 56 H THR 56 6.438 4.597 4.072
409 HA THR 56 HA THR 56 8.489 5.206 2.048
410 HB THR 56 HB THR 56 8.607 6.486 4.736
411 HG1 THR 56 HG1 THR 56 6.442 6.626 4.484
412 HG21 THR 56 HG21 THR 56 8.791 7.482 1.857
413 HG22 THR 56 HG22 THR 56 10.157 7.030 2.894
414 HG23 THR 56 HG23 THR 56 9.139 8.427 3.319
415 H GLU 57 H GLU 57 9.944 3.490 2.106
416 HA GLU 57 HA GLU 57 10.666 1.783 4.299
417 HB2 GLU 57 HB2 GLU 57 10.800 1.513 1.711
418 HB3 GLU 57 HB3 GLU 57 12.334 2.371 1.927
419 HG2 GLU 57 HG2 GLU 57 12.681 0.339 3.678
420 HG3 GLU 57 HG3 GLU 57 11.574 -0.417 2.546
Start of MODEL 11
1 H1 MET 1 H MET 1 -16.997 0.058 0.663
2 HA MET 1 HA MET 1 -14.494 -1.454 0.197
3 HB2 MET 1 HB2 MET 1 -16.618 -2.738 -0.037
4 HB3 MET 1 HB3 MET 1 -17.156 -1.653 -1.301
5 HG2 MET 1 HG2 MET 1 -15.767 -2.609 -2.870
6 HG3 MET 1 HG3 MET 1 -14.523 -2.964 -1.703
7 HE1 MET 1 HE1 MET 1 -14.746 -6.515 -2.811
8 HE2 MET 1 HE2 MET 1 -14.601 -5.008 -3.741
9 HE3 MET 1 HE3 MET 1 -13.727 -5.201 -2.209
10 H GLY 2 H GLY 2 -14.088 -1.273 -2.416
11 HA2 GLY 2 HA2 GLY 2 -14.468 0.398 -4.278
12 HA3 GLY 2 HA3 GLY 2 -13.806 1.562 -3.114
13 H THR 3 H THR 3 -12.325 1.597 -5.160
14 HA THR 3 HA THR 3 -10.282 -0.519 -5.170
15 HB THR 3 HB THR 3 -10.412 2.099 -6.725
16 HG1 THR 3 HG1 THR 3 -12.013 -0.003 -6.917
17 HG21 THR 3 HG21 THR 3 -8.193 1.006 -6.790
18 HG22 THR 3 HG22 THR 3 -8.990 0.884 -8.360
19 HG23 THR 3 HG23 THR 3 -8.946 -0.529 -7.283
20 H TYR 4 H TYR 4 -8.286 -0.320 -4.290
21 HA TYR 4 HA TYR 4 -7.622 2.147 -2.778
22 HB2 TYR 4 HB2 TYR 4 -7.166 -0.803 -2.163
23 HB3 TYR 4 HB3 TYR 4 -6.248 0.478 -1.403
24 HD1 TYR 4 HD1 TYR 4 -7.225 2.089 0.119
25 HD2 TYR 4 HD2 TYR 4 -9.569 -1.112 -1.564
26 HE1 TYR 4 HE1 TYR 4 -8.899 2.377 1.922
27 HE2 TYR 4 HE2 TYR 4 -11.269 -0.798 0.231
28 HH TYR 4 HH TYR 4 -12.023 0.782 1.935
29 H LYS 5 H LYS 5 -5.287 2.602 -2.781
30 HA LYS 5 HA LYS 5 -3.740 1.357 -5.013
31 HB2 LYS 5 HB2 LYS 5 -4.803 3.566 -5.606
32 HB3 LYS 5 HB3 LYS 5 -3.999 4.263 -4.206
33 HG2 LYS 5 HG2 LYS 5 -1.760 3.510 -5.388
34 HG3 LYS 5 HG3 LYS 5 -2.785 3.312 -6.803
35 HD2 LYS 5 HD2 LYS 5 -3.554 5.829 -5.983
36 HD3 LYS 5 HD3 LYS 5 -1.927 5.764 -5.319
37 HE2 LYS 5 HE2 LYS 5 -1.691 6.728 -7.467
38 HE3 LYS 5 HE3 LYS 5 -1.105 5.061 -7.614
39 HZ1 LYS 5 HZ1 LYS 5 -3.757 6.094 -8.426
40 HZ2 LYS 5 HZ2 LYS 5 -3.335 4.482 -8.450
41 HZ3 LYS 5 HZ3 LYS 5 -2.559 5.542 -9.412
42 H LEU 6 H LEU 6 -1.527 1.189 -4.629
43 HA LEU 6 HA LEU 6 -0.551 1.971 -1.901
44 HB2 LEU 6 HB2 LEU 6 -0.767 -0.430 -2.018
45 HB3 LEU 6 HB3 LEU 6 0.043 -0.469 -3.563
46 HG LEU 6 HG LEU 6 2.171 0.259 -2.452
47 HD11 LEU 6 HD11 LEU 6 2.252 0.110 0.077
48 HD12 LEU 6 HD12 LEU 6 0.471 0.143 0.073
49 HD13 LEU 6 HD13 LEU 6 1.414 1.518 -0.530
50 HD21 LEU 6 HD21 LEU 6 1.971 -2.044 -2.792
51 HD22 LEU 6 HD22 LEU 6 0.756 -2.249 -1.524
52 HD23 LEU 6 HD23 LEU 6 2.432 -1.904 -1.089
53 H ILE 7 H ILE 7 1.339 2.949 -1.874
54 HA ILE 7 HA ILE 7 2.900 3.357 -4.384
55 HB ILE 7 HB ILE 7 2.293 5.416 -2.242
56 HG12 ILE 7 HG12 ILE 7 1.287 5.131 -5.100
57 HG13 ILE 7 HG13 ILE 7 0.328 5.029 -3.636
58 HG21 ILE 7 HG21 ILE 7 3.596 6.967 -3.634
59 HG22 ILE 7 HG22 ILE 7 4.598 5.573 -3.290
60 HG23 ILE 7 HG23 ILE 7 3.818 5.719 -4.883
61 HD11 ILE 7 HD11 ILE 7 -0.021 7.163 -4.741
62 HD12 ILE 7 HD12 ILE 7 0.744 7.391 -3.153
63 HD13 ILE 7 HD13 ILE 7 1.694 7.538 -4.663
64 H LEU 8 H LEU 8 4.567 2.074 -4.077
65 HA LEU 8 HA LEU 8 5.726 1.521 -1.429
66 HB2 LEU 8 HB2 LEU 8 6.403 0.638 -4.270
67 HB3 LEU 8 HB3 LEU 8 7.255 0.103 -2.855
68 HG LEU 8 HG LEU 8 4.346 -0.372 -3.357
69 HD11 LEU 8 HD11 LEU 8 5.063 -2.723 -3.839
70 HD12 LEU 8 HD12 LEU 8 6.752 -2.274 -3.549
71 HD13 LEU 8 HD13 LEU 8 5.872 -1.604 -4.942
72 HD21 LEU 8 HD21 LEU 8 4.627 -2.130 -1.590
73 HD22 LEU 8 HD22 LEU 8 4.671 -0.469 -1.021
74 HD23 LEU 8 HD23 LEU 8 6.192 -1.397 -1.173
75 H ASN 9 H ASN 9 6.855 3.237 -0.701
76 HA ASN 9 HA ASN 9 8.689 4.741 -2.551
77 HB2 ASN 9 HB2 ASN 9 7.245 5.567 -0.010
78 HB3 ASN 9 HB3 ASN 9 8.721 6.381 -0.520
79 HD21 ASN 9 HD21 ASN 9 6.480 7.897 -0.228
80 HD22 ASN 9 HD22 ASN 9 6.061 8.437 -1.824
81 H GLY 10 H GLY 10 10.111 2.707 -2.292
82 HA2 GLY 10 HA2 GLY 10 11.401 2.606 0.337
83 HA3 GLY 10 HA3 GLY 10 11.626 1.455 -0.965
84 H LYS 11 H LYS 11 13.490 2.681 0.722
85 HA LYS 11 HA LYS 11 15.010 4.788 -0.406
86 HB2 LYS 11 HB2 LYS 11 15.974 2.384 1.198
87 HB3 LYS 11 HB3 LYS 11 16.851 3.892 1.010
88 HG2 LYS 11 HG2 LYS 11 15.356 5.121 2.365
89 HG3 LYS 11 HG3 LYS 11 14.094 3.904 2.261
90 HD2 LYS 11 HD2 LYS 11 16.691 3.610 3.821
91 HD3 LYS 11 HD3 LYS 11 15.069 3.891 4.464
92 HE2 LYS 11 HE2 LYS 11 14.637 1.683 2.889
93 HE3 LYS 11 HE3 LYS 11 16.282 1.365 3.446
94 HZ1 LYS 11 HZ1 LYS 11 15.458 1.411 5.717
95 HZ2 LYS 11 HZ2 LYS 11 14.476 0.452 4.826
96 HZ3 LYS 11 HZ3 LYS 11 13.984 1.951 5.222
97 H THR 12 H THR 12 14.752 1.425 -1.300
98 HA THR 12 HA THR 12 17.050 1.672 -3.166
99 HB THR 12 HB THR 12 17.424 0.201 -1.318
100 HG1 THR 12 HG1 THR 12 16.985 -1.640 -3.334
101 HG21 THR 12 HG21 THR 12 14.900 -1.280 -2.108
102 HG22 THR 12 HG22 THR 12 15.290 -0.496 -0.563
103 HG23 THR 12 HG23 THR 12 16.171 -1.936 -1.070
104 H LEU 13 H LEU 13 13.588 0.578 -2.895
105 HA LEU 13 HA LEU 13 13.504 0.573 -5.870
106 HB2 LEU 13 HB2 LEU 13 13.723 -1.778 -5.078
107 HB3 LEU 13 HB3 LEU 13 12.371 -1.530 -3.963
108 HG LEU 13 HG LEU 13 10.851 -1.166 -5.929
109 HD11 LEU 13 HD11 LEU 13 11.691 -1.823 -8.181
110 HD12 LEU 13 HD12 LEU 13 13.338 -1.808 -7.513
111 HD13 LEU 13 HD13 LEU 13 12.382 -0.323 -7.582
112 HD21 LEU 13 HD21 LEU 13 10.693 -3.463 -6.618
113 HD22 LEU 13 HD22 LEU 13 11.104 -3.409 -4.902
114 HD23 LEU 13 HD23 LEU 13 12.351 -3.798 -6.096
115 H LYS 14 H LYS 14 11.307 1.089 -6.672
116 HA LYS 14 HA LYS 14 9.340 1.894 -4.666
117 HB2 LYS 14 HB2 LYS 14 10.265 3.831 -6.852
118 HB3 LYS 14 HB3 LYS 14 8.849 3.976 -5.839
119 HG2 LYS 14 HG2 LYS 14 9.967 5.154 -4.378
120 HG3 LYS 14 HG3 LYS 14 10.870 3.727 -3.945
121 HD2 LYS 14 HD2 LYS 14 11.624 5.906 -5.903
122 HD3 LYS 14 HD3 LYS 14 12.408 5.481 -4.365
123 HE2 LYS 14 HE2 LYS 14 13.143 3.319 -5.335
124 HE3 LYS 14 HE3 LYS 14 12.370 3.767 -6.879
125 HZ1 LYS 14 HZ1 LYS 14 14.693 5.036 -5.599
126 HZ2 LYS 14 HZ2 LYS 14 13.837 5.776 -6.808
127 HZ3 LYS 14 HZ3 LYS 14 14.621 4.371 -7.084
128 H GLY 15 H GLY 15 7.199 2.003 -5.600
129 HA2 GLY 15 HA2 GLY 15 6.679 1.456 -8.356
130 HA3 GLY 15 HA3 GLY 15 6.597 -0.042 -7.408
131 H GLU 16 H GLU 16 4.272 0.423 -8.483
132 HA GLU 16 HA GLU 16 2.560 1.366 -6.291
133 HB2 GLU 16 HB2 GLU 16 2.504 2.383 -9.170
134 HB3 GLU 16 HB3 GLU 16 1.055 2.315 -8.175
135 HG2 GLU 16 HG2 GLU 16 2.304 3.790 -6.504
136 HG3 GLU 16 HG3 GLU 16 3.437 4.118 -7.823
137 H THR 17 H THR 17 0.412 0.525 -6.493
138 HA THR 17 HA THR 17 -0.363 -1.246 -8.599
139 HB THR 17 HB THR 17 1.184 -2.667 -7.224
140 HG1 THR 17 HG1 THR 17 -0.670 -3.450 -8.408
141 HG21 THR 17 HG21 THR 17 0.412 -3.610 -5.084
142 HG22 THR 17 HG22 THR 17 -0.949 -2.469 -5.060
143 HG23 THR 17 HG23 THR 17 0.715 -1.876 -4.960
144 H THR 18 H THR 18 -2.659 -2.072 -8.128
145 HA THR 18 HA THR 18 -4.113 -0.482 -6.133
146 HB THR 18 HB THR 18 -5.894 -0.161 -7.997
147 HG1 THR 18 HG1 THR 18 -5.212 -1.288 -9.699
148 HG21 THR 18 HG21 THR 18 -3.259 1.337 -8.289
149 HG22 THR 18 HG22 THR 18 -4.580 1.722 -7.151
150 HG23 THR 18 HG23 THR 18 -4.848 1.869 -8.893
151 H THR 19 H THR 19 -5.994 -1.623 -5.355
152 HA THR 19 HA THR 19 -6.728 -4.154 -6.555
153 HB THR 19 HB THR 19 -4.744 -4.660 -5.050
154 HG1 THR 19 HG1 THR 19 -6.281 -6.250 -5.543
155 HG21 THR 19 HG21 THR 19 -5.516 -3.001 -3.241
156 HG22 THR 19 HG22 THR 19 -4.935 -4.574 -2.687
157 HG23 THR 19 HG23 THR 19 -6.677 -4.232 -2.742
158 H GLU 20 H GLU 20 -8.884 -4.866 -5.666
159 HA GLU 20 HA GLU 20 -10.344 -2.562 -4.464
160 HB2 GLU 20 HB2 GLU 20 -11.312 -4.934 -6.119
161 HB3 GLU 20 HB3 GLU 20 -12.368 -3.776 -5.267
162 HG2 GLU 20 HG2 GLU 20 -11.156 -1.906 -6.460
163 HG3 GLU 20 HG3 GLU 20 -10.325 -3.112 -7.436
164 H ALA 21 H ALA 21 -10.641 -2.705 -2.349
165 HA ALA 21 HA ALA 21 -10.714 -5.394 -1.065
166 HB1 ALA 21 HB1 ALA 21 -9.629 -4.387 0.879
167 HB2 ALA 21 HB2 ALA 21 -8.597 -4.247 -0.573
168 HB3 ALA 21 HB3 ALA 21 -9.513 -2.848 0.024
169 H VAL 22 H VAL 22 -12.091 -5.624 0.640
170 HA VAL 22 HA VAL 22 -14.564 -4.260 0.450
171 HB VAL 22 HB VAL 22 -14.240 -6.603 1.089
172 HG11 VAL 22 HG11 VAL 22 -12.328 -6.448 2.602
173 HG12 VAL 22 HG12 VAL 22 -13.328 -5.612 3.818
174 HG13 VAL 22 HG13 VAL 22 -13.691 -7.270 3.370
175 HG21 VAL 22 HG21 VAL 22 -16.368 -5.485 1.552
176 HG22 VAL 22 HG22 VAL 22 -16.021 -6.740 2.748
177 HG23 VAL 22 HG23 VAL 22 -15.797 -5.038 3.179
178 H ASP 23 H ASP 23 -11.888 -3.911 2.797
179 HA ASP 23 HA ASP 23 -12.972 -1.306 3.656
180 HB2 ASP 23 HB2 ASP 23 -12.309 -3.611 5.555
181 HB3 ASP 23 HB3 ASP 23 -12.579 -1.938 6.055
182 H ALA 24 H ALA 24 -11.281 -0.127 4.926
183 HA ALA 24 HA ALA 24 -8.799 -0.141 3.641
184 HB1 ALA 24 HB1 ALA 24 -9.576 1.047 6.344
185 HB2 ALA 24 HB2 ALA 24 -8.138 1.474 5.392
186 HB3 ALA 24 HB3 ALA 24 -9.753 1.830 4.753
187 H ALA 25 H ALA 25 -9.838 -1.817 6.614
188 HA ALA 25 HA ALA 25 -7.230 -2.442 7.537
189 HB1 ALA 25 HB1 ALA 25 -9.820 -4.003 7.905
190 HB2 ALA 25 HB2 ALA 25 -8.324 -4.237 8.836
191 HB3 ALA 25 HB3 ALA 25 -9.201 -2.703 8.962
192 H THR 26 H THR 26 -9.455 -4.196 5.294
193 HA THR 26 HA THR 26 -7.765 -6.461 4.878
194 HB THR 26 HB THR 26 -9.810 -5.226 3.005
195 HG1 THR 26 HG1 THR 26 -11.165 -6.886 4.247
196 HG21 THR 26 HG21 THR 26 -9.044 -8.118 3.429
197 HG22 THR 26 HG22 THR 26 -8.532 -7.123 2.053
198 HG23 THR 26 HG23 THR 26 -10.243 -7.516 2.267
199 H ALA 27 H ALA 27 -8.257 -3.352 3.171
200 HA ALA 27 HA ALA 27 -6.601 -3.804 0.990
201 HB1 ALA 27 HB1 ALA 27 -6.537 -1.330 0.819
202 HB2 ALA 27 HB2 ALA 27 -8.147 -1.798 1.396
203 HB3 ALA 27 HB3 ALA 27 -6.947 -1.159 2.525
204 H GLU 28 H GLU 28 -5.777 -2.449 4.195
205 HA GLU 28 HA GLU 28 -3.057 -1.996 3.749
206 HB2 GLU 28 HB2 GLU 28 -4.329 -1.074 5.602
207 HB3 GLU 28 HB3 GLU 28 -4.610 -2.680 6.243
208 HG2 GLU 28 HG2 GLU 28 -2.186 -2.939 6.707
209 HG3 GLU 28 HG3 GLU 28 -1.892 -1.328 6.011
210 H LYS 29 H LYS 29 -4.676 -5.001 4.874
211 HA LYS 29 HA LYS 29 -2.232 -6.450 5.426
212 HB2 LYS 29 HB2 LYS 29 -4.977 -7.447 4.516
213 HB3 LYS 29 HB3 LYS 29 -3.688 -8.495 5.077
214 HG2 LYS 29 HG2 LYS 29 -3.802 -7.654 7.311
215 HG3 LYS 29 HG3 LYS 29 -4.780 -6.266 6.825
216 HD2 LYS 29 HD2 LYS 29 -6.553 -7.929 6.035
217 HD3 LYS 29 HD3 LYS 29 -5.652 -9.192 6.870
218 HE2 LYS 29 HE2 LYS 29 -6.648 -6.600 8.115
219 HE3 LYS 29 HE3 LYS 29 -7.560 -8.120 8.142
220 HZ1 LYS 29 HZ1 LYS 29 -4.958 -7.614 9.456
221 HZ2 LYS 29 HZ2 LYS 29 -5.582 -9.104 9.293
222 HZ3 LYS 29 HZ3 LYS 29 -6.388 -7.983 10.192
223 H VAL 30 H VAL 30 -4.387 -6.398 2.561
224 HA VAL 30 HA VAL 30 -2.810 -8.148 0.975
225 HB VAL 30 HB VAL 30 -4.754 -5.917 0.280
226 HG11 VAL 30 HG11 VAL 30 -4.832 -6.780 -2.040
227 HG12 VAL 30 HG12 VAL 30 -3.278 -6.010 -1.692
228 HG13 VAL 30 HG13 VAL 30 -3.409 -7.785 -1.729
229 HG21 VAL 30 HG21 VAL 30 -5.552 -7.998 1.335
230 HG22 VAL 30 HG22 VAL 30 -6.117 -7.903 -0.342
231 HG23 VAL 30 HG23 VAL 30 -4.724 -8.950 0.077
232 H PHE 31 H PHE 31 -2.669 -4.563 1.131
233 HA PHE 31 HA PHE 31 -0.404 -4.392 -0.600
234 HB2 PHE 31 HB2 PHE 31 -1.627 -2.555 1.462
235 HB3 PHE 31 HB3 PHE 31 -0.228 -2.094 0.507
236 HD1 PHE 31 HD1 PHE 31 -1.583 -3.765 -2.094
237 HD2 PHE 31 HD2 PHE 31 -2.668 -0.502 0.544
238 HE1 PHE 31 HE1 PHE 31 -2.920 -2.789 -3.869
239 HE2 PHE 31 HE2 PHE 31 -4.017 0.472 -1.292
240 HZ PHE 31 HZ PHE 31 -4.131 -0.669 -3.510
241 H LYS 32 H LYS 32 -0.531 -4.800 2.984
242 HA LYS 32 HA LYS 32 2.260 -4.400 3.431
243 HB2 LYS 32 HB2 LYS 32 0.006 -5.773 4.859
244 HB3 LYS 32 HB3 LYS 32 1.594 -6.423 5.174
245 HG2 LYS 32 HG2 LYS 32 1.838 -3.548 5.220
246 HG3 LYS 32 HG3 LYS 32 0.423 -3.975 6.187
247 HD2 LYS 32 HD2 LYS 32 1.743 -5.435 7.577
248 HD3 LYS 32 HD3 LYS 32 3.121 -5.360 6.477
249 HE2 LYS 32 HE2 LYS 32 3.641 -3.130 6.965
250 HE3 LYS 32 HE3 LYS 32 2.077 -2.793 7.700
251 HZ1 LYS 32 HZ1 LYS 32 4.090 -3.125 9.167
252 HZ2 LYS 32 HZ2 LYS 32 3.922 -4.731 8.889
253 HZ3 LYS 32 HZ3 LYS 32 2.706 -3.883 9.643
254 H GLN 33 H GLN 33 0.481 -7.367 2.517
255 HA GLN 33 HA GLN 33 2.793 -8.993 2.426
256 HB2 GLN 33 HB2 GLN 33 0.284 -9.681 2.332
257 HB3 GLN 33 HB3 GLN 33 0.367 -9.260 0.619
258 HG2 GLN 33 HG2 GLN 33 0.755 -11.557 0.606
259 HG3 GLN 33 HG3 GLN 33 2.390 -10.915 0.501
260 HE21 GLN 33 HE21 GLN 33 3.783 -11.078 2.444
261 HE22 GLN 33 HE22 GLN 33 3.320 -12.189 3.727
262 H TYR 34 H TYR 34 1.177 -6.958 -0.030
263 HA TYR 34 HA TYR 34 2.905 -7.694 -2.195
264 HB2 TYR 34 HB2 TYR 34 0.671 -6.336 -2.221
265 HB3 TYR 34 HB3 TYR 34 1.714 -4.921 -2.010
266 HD1 TYR 34 HD1 TYR 34 0.891 -7.832 -4.171
267 HD2 TYR 34 HD2 TYR 34 3.208 -4.212 -3.860
268 HE1 TYR 34 HE1 TYR 34 1.405 -7.963 -6.598
269 HE2 TYR 34 HE2 TYR 34 3.726 -4.334 -6.306
270 HH TYR 34 HH TYR 34 3.630 -5.799 -8.235
271 H ALA 35 H ALA 35 3.234 -5.145 0.225
272 HA ALA 35 HA ALA 35 5.626 -4.024 -0.952
273 HB1 ALA 35 HB1 ALA 35 4.629 -3.914 1.893
274 HB2 ALA 35 HB2 ALA 35 5.858 -2.843 1.194
275 HB3 ALA 35 HB3 ALA 35 4.215 -2.774 0.573
276 H ASN 36 H ASN 36 5.062 -6.382 1.674
277 HA ASN 36 HA ASN 36 7.791 -6.917 2.261
278 HB2 ASN 36 HB2 ASN 36 6.790 -8.096 3.851
279 HB3 ASN 36 HB3 ASN 36 5.239 -7.978 3.063
280 HD21 ASN 36 HD21 ASN 36 4.993 -9.576 1.104
281 HD22 ASN 36 HD22 ASN 36 5.596 -11.178 1.353
282 H ASP 37 H ASP 37 5.735 -8.029 -0.390
283 HA ASP 37 HA ASP 37 7.375 -10.189 -1.339
284 HB2 ASP 37 HB2 ASP 37 5.037 -9.861 -2.071
285 HB3 ASP 37 HB3 ASP 37 5.504 -8.386 -2.893
286 H ASN 38 H ASN 38 7.333 -6.706 -1.889
287 HA ASN 38 HA ASN 38 9.581 -6.716 -3.791
288 HB2 ASN 38 HB2 ASN 38 7.928 -4.477 -2.523
289 HB3 ASN 38 HB3 ASN 38 9.271 -4.214 -3.637
290 HD21 ASN 38 HD21 ASN 38 5.978 -5.661 -3.411
291 HD22 ASN 38 HD22 ASN 38 5.608 -5.402 -5.062
292 H GLY 39 H GLY 39 9.337 -7.009 -0.474
293 HA2 GLY 39 HA2 GLY 39 10.842 -6.894 1.254
294 HA3 GLY 39 HA3 GLY 39 12.107 -6.469 0.064
295 H VAL 40 H VAL 40 9.020 -4.732 0.771
296 HA VAL 40 HA VAL 40 10.581 -2.394 1.693
297 HB VAL 40 HB VAL 40 7.837 -2.538 0.424
298 HG11 VAL 40 HG11 VAL 40 8.191 -0.518 1.809
299 HG12 VAL 40 HG12 VAL 40 9.651 -0.151 0.866
300 HG13 VAL 40 HG13 VAL 40 8.051 -0.118 0.098
301 HG21 VAL 40 HG21 VAL 40 8.668 -1.746 -1.610
302 HG22 VAL 40 HG22 VAL 40 10.347 -1.624 -1.005
303 HG23 VAL 40 HG23 VAL 40 9.555 -3.216 -1.242
304 H ASP 41 H ASP 41 10.304 -1.991 3.812
305 HA ASP 41 HA ASP 41 7.649 -2.206 5.021
306 HB2 ASP 41 HB2 ASP 41 8.622 -4.439 5.429
307 HB3 ASP 41 HB3 ASP 41 10.011 -3.675 6.213
308 H GLY 42 H GLY 42 7.527 -0.110 5.421
309 HA2 GLY 42 HA2 GLY 42 9.504 1.217 7.195
310 HA3 GLY 42 HA3 GLY 42 8.982 1.988 5.682
311 H GLU 43 H GLU 43 8.104 3.753 6.630
312 HA GLU 43 HA GLU 43 5.980 3.454 8.607
313 HB2 GLU 43 HB2 GLU 43 7.472 5.398 8.763
314 HB3 GLU 43 HB3 GLU 43 7.077 5.909 7.121
315 HG2 GLU 43 HG2 GLU 43 4.772 6.411 7.753
316 HG3 GLU 43 HG3 GLU 43 4.985 5.637 9.328
317 H TRP 44 H TRP 44 4.018 2.867 8.023
318 HA TRP 44 HA TRP 44 3.104 3.228 5.241
319 HB2 TRP 44 HB2 TRP 44 1.889 1.765 7.618
320 HB3 TRP 44 HB3 TRP 44 1.145 1.927 6.032
321 HD1 TRP 44 HD1 TRP 44 4.407 0.475 7.544
322 HE1 TRP 44 HE1 TRP 44 5.206 -1.480 6.150
323 HE3 TRP 44 HE3 TRP 44 0.894 0.664 3.859
324 HZ2 TRP 44 HZ2 TRP 44 4.375 -2.871 3.781
325 HZ3 TRP 44 HZ3 TRP 44 0.936 -0.983 2.010
326 HH2 TRP 44 HH2 TRP 44 2.600 -2.775 1.975
327 H THR 45 H THR 45 1.717 4.771 4.672
328 HA THR 45 HA THR 45 0.269 6.385 6.697
329 HB THR 45 HB THR 45 0.618 8.317 5.296
330 HG1 THR 45 HG1 THR 45 1.805 8.058 3.328
331 HG21 THR 45 HG21 THR 45 2.614 7.650 6.717
332 HG22 THR 45 HG22 THR 45 3.012 8.624 5.294
333 HG23 THR 45 HG23 THR 45 3.311 6.877 5.278
334 H TYR 46 H TYR 46 -1.717 7.610 5.533
335 HA TYR 46 HA TYR 46 -2.896 5.972 3.399
336 HB2 TYR 46 HB2 TYR 46 -3.585 4.828 5.470
337 HB3 TYR 46 HB3 TYR 46 -4.206 6.350 6.121
338 HD1 TYR 46 HD1 TYR 46 -4.549 4.290 2.960
339 HD2 TYR 46 HD2 TYR 46 -6.536 6.589 6.018
340 HE1 TYR 46 HE1 TYR 46 -6.705 3.899 1.828
341 HE2 TYR 46 HE2 TYR 46 -8.707 6.095 4.971
342 HH TYR 46 HH TYR 46 -9.755 5.464 2.800
343 H ASP 47 H ASP 47 -4.165 7.139 2.111
344 HA ASP 47 HA ASP 47 -4.824 9.988 2.726
345 HB2 ASP 47 HB2 ASP 47 -3.750 8.715 0.171
346 HB3 ASP 47 HB3 ASP 47 -4.567 10.265 0.203
347 H ASP 48 H ASP 48 -6.910 9.120 3.431
348 HA ASP 48 HA ASP 48 -8.551 7.353 1.995
349 HB2 ASP 48 HB2 ASP 48 -8.744 8.612 4.385
350 HB3 ASP 48 HB3 ASP 48 -9.895 9.581 3.484
351 H ALA 49 H ALA 49 -7.965 10.701 1.510
352 HA ALA 49 HA ALA 49 -10.112 11.591 -0.068
353 HB1 ALA 49 HB1 ALA 49 -8.486 13.240 -0.940
354 HB2 ALA 49 HB2 ALA 49 -8.218 12.975 0.792
355 HB3 ALA 49 HB3 ALA 49 -7.139 12.204 -0.390
356 H THR 50 H THR 50 -7.472 9.449 -0.938
357 HA THR 50 HA THR 50 -8.663 8.991 -3.606
358 HB THR 50 HB THR 50 -6.907 10.635 -3.972
359 HG1 THR 50 HG1 THR 50 -5.602 9.226 -5.427
360 HG21 THR 50 HG21 THR 50 -5.412 10.354 -2.132
361 HG22 THR 50 HG22 THR 50 -4.477 9.920 -3.585
362 HG23 THR 50 HG23 THR 50 -5.136 8.672 -2.503
363 H LYS 51 H LYS 51 -8.421 7.736 -0.830
364 HA LYS 51 HA LYS 51 -7.939 5.814 0.241
365 HB2 LYS 51 HB2 LYS 51 -9.088 4.657 -2.327
366 HB3 LYS 51 HB3 LYS 51 -9.149 3.943 -0.704
367 HG2 LYS 51 HG2 LYS 51 -10.404 6.007 0.076
368 HG3 LYS 51 HG3 LYS 51 -10.451 6.558 -1.608
369 HD2 LYS 51 HD2 LYS 51 -12.486 5.615 -1.365
370 HD3 LYS 51 HD3 LYS 51 -11.582 4.323 -2.151
371 HE2 LYS 51 HE2 LYS 51 -11.252 3.223 0.078
372 HE3 LYS 51 HE3 LYS 51 -12.093 4.584 0.868
373 HZ1 LYS 51 HZ1 LYS 51 -13.673 3.000 0.626
374 HZ2 LYS 51 HZ2 LYS 51 -13.098 2.471 -0.845
375 HZ3 LYS 51 HZ3 LYS 51 -13.943 3.879 -0.765
376 H THR 52 H THR 52 -5.620 6.736 -0.599
377 HA THR 52 HA THR 52 -4.189 4.437 -1.805
378 HB THR 52 HB THR 52 -3.522 7.398 -1.647
379 HG1 THR 52 HG1 THR 52 -5.179 6.512 -3.201
380 HG21 THR 52 HG21 THR 52 -2.007 5.117 -2.966
381 HG22 THR 52 HG22 THR 52 -1.415 6.192 -1.672
382 HG23 THR 52 HG23 THR 52 -1.732 6.857 -3.268
383 H PHE 53 H PHE 53 -2.187 3.864 -0.898
384 HA PHE 53 HA PHE 53 -1.652 4.557 1.941
385 HB2 PHE 53 HB2 PHE 53 -1.647 1.919 0.417
386 HB3 PHE 53 HB3 PHE 53 -0.747 2.109 1.870
387 HD1 PHE 53 HD2 PHE 53 -1.857 2.393 4.066
388 HD2 PHE 53 HD1 PHE 53 -4.034 1.828 0.426
389 HE1 PHE 53 HE2 PHE 53 -3.807 1.578 5.391
390 HE2 PHE 53 HE1 PHE 53 -6.016 0.977 1.753
391 HZ PHE 53 HZ PHE 53 -5.885 0.853 4.225
392 H THR 54 H THR 54 0.619 4.939 2.304
393 HA THR 54 HA THR 54 2.390 4.452 -0.012
394 HB THR 54 HB THR 54 2.522 6.954 1.665
395 HG1 THR 54 HG1 THR 54 0.665 7.143 0.545
396 HG21 THR 54 HG21 THR 54 3.915 7.781 -0.183
397 HG22 THR 54 HG22 THR 54 3.845 6.186 -0.945
398 HG23 THR 54 HG23 THR 54 4.611 6.369 0.634
399 H VAL 55 H VAL 55 4.311 3.469 0.648
400 HA VAL 55 HA VAL 55 4.759 3.319 3.605
401 HB VAL 55 HB VAL 55 4.017 1.197 2.983
402 HG11 VAL 55 HG11 VAL 55 5.013 -0.241 1.333
403 HG12 VAL 55 HG12 VAL 55 4.385 1.230 0.560
404 HG13 VAL 55 HG13 VAL 55 6.133 1.046 0.830
405 HG21 VAL 55 HG21 VAL 55 5.887 1.317 4.573
406 HG22 VAL 55 HG22 VAL 55 5.964 -0.183 3.611
407 HG23 VAL 55 HG23 VAL 55 7.055 1.163 3.245
408 H THR 56 H THR 56 6.364 4.653 4.097
409 HA THR 56 HA THR 56 8.417 5.223 2.070
410 HB THR 56 HB THR 56 8.476 6.581 4.705
411 HG1 THR 56 HG1 THR 56 6.596 7.398 2.768
412 HG21 THR 56 HG21 THR 56 8.680 7.482 1.793
413 HG22 THR 56 HG22 THR 56 10.036 7.179 2.907
414 HG23 THR 56 HG23 THR 56 8.911 8.523 3.209
415 H GLU 57 H GLU 57 9.796 3.517 2.142
416 HA GLU 57 HA GLU 57 10.401 1.893 4.419
417 HB2 GLU 57 HB2 GLU 57 10.794 1.410 1.856
418 HB3 GLU 57 HB3 GLU 57 12.402 2.074 2.233
419 HG2 GLU 57 HG2 GLU 57 12.017 0.340 4.332
420 HG3 GLU 57 HG3 GLU 57 11.034 -0.436 3.089
Start of MODEL 12
1 H1 MET 1 H MET 1 -16.357 0.035 0.980
2 HA MET 1 HA MET 1 -14.236 -1.765 0.029
3 HB2 MET 1 HB2 MET 1 -16.411 -2.913 0.223
4 HB3 MET 1 HB3 MET 1 -17.157 -1.728 -0.852
5 HG2 MET 1 HG2 MET 1 -16.092 -2.625 -2.743
6 HG3 MET 1 HG3 MET 1 -14.738 -3.241 -1.815
7 HE1 MET 1 HE1 MET 1 -16.039 -4.846 -4.150
8 HE2 MET 1 HE2 MET 1 -14.643 -5.393 -3.189
9 HE3 MET 1 HE3 MET 1 -16.031 -6.471 -3.436
10 H GLY 2 H GLY 2 -13.727 -1.591 -2.289
11 HA2 GLY 2 HA2 GLY 2 -14.330 -0.209 -4.348
12 HA3 GLY 2 HA3 GLY 2 -13.944 1.166 -3.309
13 H THR 3 H THR 3 -12.394 1.357 -5.222
14 HA THR 3 HA THR 3 -10.116 -0.407 -5.312
15 HB THR 3 HB THR 3 -10.501 2.340 -6.543
16 HG1 THR 3 HG1 THR 3 -11.466 1.321 -8.194
17 HG21 THR 3 HG21 THR 3 -8.829 -0.080 -7.388
18 HG22 THR 3 HG22 THR 3 -8.187 1.446 -6.738
19 HG23 THR 3 HG23 THR 3 -9.009 1.426 -8.310
20 H TYR 4 H TYR 4 -8.190 -0.183 -4.415
21 HA TYR 4 HA TYR 4 -7.504 2.184 -2.771
22 HB2 TYR 4 HB2 TYR 4 -7.129 -0.797 -2.251
23 HB3 TYR 4 HB3 TYR 4 -6.271 0.446 -1.380
24 HD1 TYR 4 HD1 TYR 4 -7.332 1.950 0.196
25 HD2 TYR 4 HD2 TYR 4 -9.527 -1.157 -1.796
26 HE1 TYR 4 HE1 TYR 4 -9.130 2.164 1.888
27 HE2 TYR 4 HE2 TYR 4 -11.367 -0.908 -0.188
28 HH TYR 4 HH TYR 4 -11.234 1.333 2.609
29 H LYS 5 H LYS 5 -5.163 2.590 -2.730
30 HA LYS 5 HA LYS 5 -3.572 1.335 -4.918
31 HB2 LYS 5 HB2 LYS 5 -4.477 3.420 -5.760
32 HB3 LYS 5 HB3 LYS 5 -3.944 4.286 -4.318
33 HG2 LYS 5 HG2 LYS 5 -1.551 3.782 -4.989
34 HG3 LYS 5 HG3 LYS 5 -2.168 3.067 -6.477
35 HD2 LYS 5 HD2 LYS 5 -2.429 5.978 -5.568
36 HD3 LYS 5 HD3 LYS 5 -1.339 5.334 -6.790
37 HE2 LYS 5 HE2 LYS 5 -2.991 6.185 -8.117
38 HE3 LYS 5 HE3 LYS 5 -3.491 4.498 -7.994
39 HZ1 LYS 5 HZ1 LYS 5 -5.314 6.071 -7.676
40 HZ2 LYS 5 HZ2 LYS 5 -4.560 6.742 -6.387
41 HZ3 LYS 5 HZ3 LYS 5 -5.131 5.211 -6.287
42 H LEU 6 H LEU 6 -1.373 1.234 -4.551
43 HA LEU 6 HA LEU 6 -0.415 2.003 -1.820
44 HB2 LEU 6 HB2 LEU 6 -0.663 -0.401 -1.951
45 HB3 LEU 6 HB3 LEU 6 0.152 -0.441 -3.506
46 HG LEU 6 HG LEU 6 2.284 0.281 -2.392
47 HD11 LEU 6 HD11 LEU 6 0.543 0.172 0.096
48 HD12 LEU 6 HD12 LEU 6 1.492 1.542 -0.493
49 HD13 LEU 6 HD13 LEU 6 2.325 0.134 0.142
50 HD21 LEU 6 HD21 LEU 6 0.867 -2.236 -1.479
51 HD22 LEU 6 HD22 LEU 6 2.534 -1.883 -1.015
52 HD23 LEU 6 HD23 LEU 6 2.105 -2.026 -2.723
53 H ILE 7 H ILE 7 1.492 3.072 -1.824
54 HA ILE 7 HA ILE 7 2.976 3.461 -4.364
55 HB ILE 7 HB ILE 7 2.365 5.501 -2.190
56 HG12 ILE 7 HG12 ILE 7 1.410 5.241 -5.066
57 HG13 ILE 7 HG13 ILE 7 0.417 5.096 -3.624
58 HG21 ILE 7 HG21 ILE 7 4.674 5.704 -3.174
59 HG22 ILE 7 HG22 ILE 7 3.937 5.840 -4.784
60 HG23 ILE 7 HG23 ILE 7 3.654 7.079 -3.534
61 HD11 ILE 7 HD11 ILE 7 0.067 7.234 -4.735
62 HD12 ILE 7 HD12 ILE 7 0.742 7.455 -3.107
63 HD13 ILE 7 HD13 ILE 7 1.766 7.657 -4.549
64 H LEU 8 H LEU 8 4.686 2.200 -4.084
65 HA LEU 8 HA LEU 8 5.856 1.687 -1.419
66 HB2 LEU 8 HB2 LEU 8 6.638 0.773 -4.201
67 HB3 LEU 8 HB3 LEU 8 7.466 0.288 -2.763
68 HG LEU 8 HG LEU 8 4.560 -0.233 -3.399
69 HD11 LEU 8 HD11 LEU 8 6.151 -1.389 -4.972
70 HD12 LEU 8 HD12 LEU 8 5.255 -2.545 -3.984
71 HD13 LEU 8 HD13 LEU 8 6.942 -2.155 -3.589
72 HD21 LEU 8 HD21 LEU 8 4.763 -0.394 -1.064
73 HD22 LEU 8 HD22 LEU 8 6.260 -1.354 -1.174
74 HD23 LEU 8 HD23 LEU 8 4.711 -2.041 -1.691
75 H ASN 9 H ASN 9 6.997 3.401 -0.720
76 HA ASN 9 HA ASN 9 8.802 4.864 -2.624
77 HB2 ASN 9 HB2 ASN 9 7.464 5.704 -0.045
78 HB3 ASN 9 HB3 ASN 9 8.988 6.431 -0.515
79 HD21 ASN 9 HD21 ASN 9 6.691 7.897 -0.136
80 HD22 ASN 9 HD22 ASN 9 6.276 8.677 -1.611
81 H GLY 10 H GLY 10 10.114 2.695 -2.422
82 HA2 GLY 10 HA2 GLY 10 11.352 2.381 0.215
83 HA3 GLY 10 HA3 GLY 10 11.531 1.319 -1.167
84 H LYS 11 H LYS 11 13.552 2.458 0.517
85 HA LYS 11 HA LYS 11 14.984 4.636 -0.640
86 HB2 LYS 11 HB2 LYS 11 15.669 2.302 1.170
87 HB3 LYS 11 HB3 LYS 11 16.897 3.490 0.728
88 HG2 LYS 11 HG2 LYS 11 15.945 5.187 1.969
89 HG3 LYS 11 HG3 LYS 11 14.299 4.592 1.738
90 HD2 LYS 11 HD2 LYS 11 15.014 4.429 4.053
91 HD3 LYS 11 HD3 LYS 11 14.523 2.904 3.356
92 HE2 LYS 11 HE2 LYS 11 17.015 2.385 3.080
93 HE3 LYS 11 HE3 LYS 11 17.301 3.815 4.114
94 HZ1 LYS 11 HZ1 LYS 11 15.730 1.402 4.771
95 HZ2 LYS 11 HZ2 LYS 11 15.764 2.722 5.737
96 HZ3 LYS 11 HZ3 LYS 11 17.159 1.870 5.487
97 H THR 12 H THR 12 14.651 1.424 -1.791
98 HA THR 12 HA THR 12 16.737 1.892 -3.868
99 HB THR 12 HB THR 12 17.393 -0.550 -3.629
100 HG1 THR 12 HG1 THR 12 16.848 -1.588 -1.740
101 HG21 THR 12 HG21 THR 12 18.855 1.190 -2.767
102 HG22 THR 12 HG22 THR 12 18.886 -0.233 -1.705
103 HG23 THR 12 HG23 THR 12 17.974 1.215 -1.233
104 H LEU 13 H LEU 13 13.610 0.599 -2.943
105 HA LEU 13 HA LEU 13 13.174 -0.205 -5.771
106 HB2 LEU 13 HB2 LEU 13 13.570 -2.235 -4.530
107 HB3 LEU 13 HB3 LEU 13 12.349 -1.805 -3.328
108 HG LEU 13 HG LEU 13 11.538 -1.895 -6.252
109 HD11 LEU 13 HD11 LEU 13 11.128 -4.311 -6.147
110 HD12 LEU 13 HD12 LEU 13 11.795 -4.384 -4.500
111 HD13 LEU 13 HD13 LEU 13 12.836 -3.970 -5.872
112 HD21 LEU 13 HD21 LEU 13 9.745 -1.278 -4.636
113 HD22 LEU 13 HD22 LEU 13 10.116 -2.702 -3.670
114 HD23 LEU 13 HD23 LEU 13 9.419 -2.859 -5.299
115 H LYS 14 H LYS 14 11.280 0.636 -6.591
116 HA LYS 14 HA LYS 14 9.198 1.492 -4.653
117 HB2 LYS 14 HB2 LYS 14 10.392 3.200 -6.861
118 HB3 LYS 14 HB3 LYS 14 8.947 3.629 -5.925
119 HG2 LYS 14 HG2 LYS 14 10.100 4.001 -3.965
120 HG3 LYS 14 HG3 LYS 14 11.522 3.094 -4.425
121 HD2 LYS 14 HD2 LYS 14 10.724 5.663 -5.778
122 HD3 LYS 14 HD3 LYS 14 11.839 5.525 -4.393
123 HE2 LYS 14 HE2 LYS 14 13.189 3.845 -5.702
124 HE3 LYS 14 HE3 LYS 14 12.184 4.172 -7.116
125 HZ1 LYS 14 HZ1 LYS 14 14.217 5.544 -7.047
126 HZ2 LYS 14 HZ2 LYS 14 13.711 6.216 -5.639
127 HZ3 LYS 14 HZ3 LYS 14 12.848 6.494 -7.000
128 H GLY 15 H GLY 15 7.157 1.897 -5.679
129 HA2 GLY 15 HA2 GLY 15 6.625 1.364 -8.369
130 HA3 GLY 15 HA3 GLY 15 6.453 -0.175 -7.509
131 H GLU 16 H GLU 16 4.238 0.899 -8.775
132 HA GLU 16 HA GLU 16 2.540 1.711 -6.461
133 HB2 GLU 16 HB2 GLU 16 2.756 2.922 -9.239
134 HB3 GLU 16 HB3 GLU 16 1.226 2.969 -8.369
135 HG2 GLU 16 HG2 GLU 16 1.836 4.636 -7.081
136 HG3 GLU 16 HG3 GLU 16 3.338 3.865 -6.587
137 H THR 17 H THR 17 0.908 0.312 -6.182
138 HA THR 17 HA THR 17 -0.154 -1.211 -8.495
139 HB THR 17 HB THR 17 1.423 -2.570 -7.080
140 HG1 THR 17 HG1 THR 17 0.190 -3.808 -8.150
141 HG21 THR 17 HG21 THR 17 1.011 -1.947 -4.826
142 HG22 THR 17 HG22 THR 17 0.422 -3.597 -4.975
143 HG23 THR 17 HG23 THR 17 -0.734 -2.270 -4.950
144 H THR 18 H THR 18 -2.403 -2.096 -8.003
145 HA THR 18 HA THR 18 -3.933 -0.445 -6.087
146 HB THR 18 HB THR 18 -5.624 -0.030 -7.966
147 HG1 THR 18 HG1 THR 18 -4.490 -1.639 -9.336
148 HG21 THR 18 HG21 THR 18 -4.112 1.773 -7.216
149 HG22 THR 18 HG22 THR 18 -4.528 1.901 -8.930
150 HG23 THR 18 HG23 THR 18 -2.924 1.301 -8.451
151 H THR 19 H THR 19 -5.788 -1.599 -5.292
152 HA THR 19 HA THR 19 -6.705 -3.956 -6.771
153 HB THR 19 HB THR 19 -4.786 -4.715 -5.342
154 HG1 THR 19 HG1 THR 19 -7.095 -5.866 -4.240
155 HG21 THR 19 HG21 THR 19 -5.227 -3.123 -3.427
156 HG22 THR 19 HG22 THR 19 -4.955 -4.795 -2.928
157 HG23 THR 19 HG23 THR 19 -6.603 -4.094 -2.974
158 H GLU 20 H GLU 20 -8.890 -4.550 -6.078
159 HA GLU 20 HA GLU 20 -10.257 -2.321 -4.643
160 HB2 GLU 20 HB2 GLU 20 -11.335 -4.725 -6.145
161 HB3 GLU 20 HB3 GLU 20 -12.336 -3.574 -5.266
162 HG2 GLU 20 HG2 GLU 20 -12.325 -2.066 -6.911
163 HG3 GLU 20 HG3 GLU 20 -10.571 -2.076 -7.023
164 H ALA 21 H ALA 21 -10.801 -2.572 -2.499
165 HA ALA 21 HA ALA 21 -10.590 -5.335 -1.356
166 HB1 ALA 21 HB1 ALA 21 -8.663 -3.594 -0.819
167 HB2 ALA 21 HB2 ALA 21 -9.890 -2.902 0.265
168 HB3 ALA 21 HB3 ALA 21 -9.383 -4.581 0.479
169 H VAL 22 H VAL 22 -11.956 -5.751 0.366
170 HA VAL 22 HA VAL 22 -14.542 -4.553 0.203
171 HB VAL 22 HB VAL 22 -15.131 -6.047 2.049
172 HG11 VAL 22 HG11 VAL 22 -14.775 -8.129 0.856
173 HG12 VAL 22 HG12 VAL 22 -15.068 -6.851 -0.318
174 HG13 VAL 22 HG13 VAL 22 -13.418 -7.457 -0.062
175 HG21 VAL 22 HG21 VAL 22 -13.133 -6.079 3.435
176 HG22 VAL 22 HG22 VAL 22 -13.432 -7.717 2.853
177 HG23 VAL 22 HG23 VAL 22 -12.158 -6.755 2.108
178 H ASP 23 H ASP 23 -11.825 -4.137 2.528
179 HA ASP 23 HA ASP 23 -13.039 -1.622 3.410
180 HB2 ASP 23 HB2 ASP 23 -12.781 -4.093 5.138
181 HB3 ASP 23 HB3 ASP 23 -12.264 -2.547 5.829
182 H ALA 24 H ALA 24 -11.473 -0.422 4.699
183 HA ALA 24 HA ALA 24 -8.933 -0.355 3.426
184 HB1 ALA 24 HB1 ALA 24 -8.357 1.341 5.127
185 HB2 ALA 24 HB2 ALA 24 -9.967 1.630 4.436
186 HB3 ALA 24 HB3 ALA 24 -9.813 0.905 6.054
187 H ALA 25 H ALA 25 -10.068 -2.100 6.267
188 HA ALA 25 HA ALA 25 -7.493 -2.617 7.435
189 HB1 ALA 25 HB1 ALA 25 -8.693 -4.476 8.590
190 HB2 ALA 25 HB2 ALA 25 -9.544 -2.927 8.719
191 HB3 ALA 25 HB3 ALA 25 -10.132 -4.158 7.577
192 H THR 26 H THR 26 -9.589 -4.530 5.147
193 HA THR 26 HA THR 26 -7.783 -6.603 4.638
194 HB THR 26 HB THR 26 -9.756 -5.475 2.637
195 HG1 THR 26 HG1 THR 26 -10.618 -7.220 4.642
196 HG21 THR 26 HG21 THR 26 -8.483 -7.466 1.941
197 HG22 THR 26 HG22 THR 26 -10.180 -7.877 2.190
198 HG23 THR 26 HG23 THR 26 -8.980 -8.331 3.408
199 H ALA 27 H ALA 27 -8.321 -3.438 3.042
200 HA ALA 27 HA ALA 27 -6.591 -3.796 0.895
201 HB1 ALA 27 HB1 ALA 27 -8.169 -1.845 1.201
202 HB2 ALA 27 HB2 ALA 27 -7.053 -1.178 2.397
203 HB3 ALA 27 HB3 ALA 27 -6.538 -1.371 0.708
204 H GLU 28 H GLU 28 -5.931 -2.436 4.127
205 HA GLU 28 HA GLU 28 -3.212 -1.925 3.764
206 HB2 GLU 28 HB2 GLU 28 -4.793 -1.125 5.554
207 HB3 GLU 28 HB3 GLU 28 -4.689 -2.718 6.299
208 HG2 GLU 28 HG2 GLU 28 -2.226 -2.352 6.592
209 HG3 GLU 28 HG3 GLU 28 -2.438 -0.743 5.842
210 H LYS 29 H LYS 29 -4.838 -4.938 4.861
211 HA LYS 29 HA LYS 29 -2.422 -6.334 5.550
212 HB2 LYS 29 HB2 LYS 29 -5.162 -7.352 4.682
213 HB3 LYS 29 HB3 LYS 29 -3.848 -8.410 5.218
214 HG2 LYS 29 HG2 LYS 29 -3.763 -7.275 7.398
215 HG3 LYS 29 HG3 LYS 29 -5.060 -6.203 6.921
216 HD2 LYS 29 HD2 LYS 29 -5.234 -9.211 7.269
217 HD3 LYS 29 HD3 LYS 29 -5.921 -7.946 8.320
218 HE2 LYS 29 HE2 LYS 29 -7.428 -7.224 6.515
219 HE3 LYS 29 HE3 LYS 29 -6.783 -8.509 5.461
220 HZ1 LYS 29 HZ1 LYS 29 -7.558 -10.104 7.134
221 HZ2 LYS 29 HZ2 LYS 29 -8.809 -9.239 6.475
222 HZ3 LYS 29 HZ3 LYS 29 -8.232 -8.893 7.992
223 H VAL 30 H VAL 30 -4.365 -6.305 2.542
224 HA VAL 30 HA VAL 30 -2.726 -8.149 1.113
225 HB VAL 30 HB VAL 30 -4.647 -5.956 0.295
226 HG11 VAL 30 HG11 VAL 30 -4.729 -7.002 -1.977
227 HG12 VAL 30 HG12 VAL 30 -3.192 -6.200 -1.646
228 HG13 VAL 30 HG13 VAL 30 -3.307 -7.965 -1.547
229 HG21 VAL 30 HG21 VAL 30 -6.074 -7.958 -0.258
230 HG22 VAL 30 HG22 VAL 30 -4.773 -8.986 0.374
231 HG23 VAL 30 HG23 VAL 30 -5.634 -7.876 1.455
232 H PHE 31 H PHE 31 -2.756 -4.514 1.026
233 HA PHE 31 HA PHE 31 -0.432 -4.378 -0.571
234 HB2 PHE 31 HB2 PHE 31 -1.617 -2.464 1.459
235 HB3 PHE 31 HB3 PHE 31 -0.226 -2.060 0.471
236 HD1 PHE 31 HD1 PHE 31 -1.376 -3.610 -2.166
237 HD2 PHE 31 HD2 PHE 31 -2.831 -0.632 0.590
238 HE1 PHE 31 HE1 PHE 31 -2.751 -2.692 -3.930
239 HE2 PHE 31 HE2 PHE 31 -4.159 0.385 -1.265
240 HZ PHE 31 HZ PHE 31 -4.141 -0.687 -3.527
241 H LYS 32 H LYS 32 -0.659 -4.661 2.980
242 HA LYS 32 HA LYS 32 2.166 -4.254 3.435
243 HB2 LYS 32 HB2 LYS 32 -0.039 -5.605 4.991
244 HB3 LYS 32 HB3 LYS 32 1.605 -6.071 5.336
245 HG2 LYS 32 HG2 LYS 32 1.809 -3.279 5.261
246 HG3 LYS 32 HG3 LYS 32 0.223 -3.540 5.985
247 HD2 LYS 32 HD2 LYS 32 1.187 -4.881 7.745
248 HD3 LYS 32 HD3 LYS 32 2.734 -4.990 6.914
249 HE2 LYS 32 HE2 LYS 32 3.001 -3.415 8.720
250 HE3 LYS 32 HE3 LYS 32 3.203 -2.633 7.161
251 HZ1 LYS 32 HZ1 LYS 32 1.958 -1.270 8.569
252 HZ2 LYS 32 HZ2 LYS 32 0.826 -2.373 8.913
253 HZ3 LYS 32 HZ3 LYS 32 0.949 -1.753 7.376
254 H GLN 33 H GLN 33 0.349 -7.233 2.766
255 HA GLN 33 HA GLN 33 2.541 -8.974 2.777
256 HB2 GLN 33 HB2 GLN 33 0.165 -9.695 2.844
257 HB3 GLN 33 HB3 GLN 33 -0.089 -9.068 1.221
258 HG2 GLN 33 HG2 GLN 33 0.092 -11.382 0.957
259 HG3 GLN 33 HG3 GLN 33 1.629 -10.722 0.380
260 HE21 GLN 33 HE21 GLN 33 3.507 -10.946 1.763
261 HE22 GLN 33 HE22 GLN 33 3.575 -12.198 2.993
262 H TYR 34 H TYR 34 1.113 -6.939 0.211
263 HA TYR 34 HA TYR 34 2.796 -7.944 -1.893
264 HB2 TYR 34 HB2 TYR 34 0.596 -6.573 -2.003
265 HB3 TYR 34 HB3 TYR 34 1.633 -5.155 -1.820
266 HD1 TYR 34 HD1 TYR 34 0.933 -8.150 -3.938
267 HD2 TYR 34 HD2 TYR 34 2.858 -4.289 -3.723
268 HE1 TYR 34 HE1 TYR 34 1.201 -8.163 -6.386
269 HE2 TYR 34 HE2 TYR 34 3.079 -4.266 -6.184
270 HH TYR 34 HH TYR 34 2.166 -7.052 -8.212
271 H ALA 35 H ALA 35 3.129 -5.081 0.256
272 HA ALA 35 HA ALA 35 5.505 -4.073 -0.961
273 HB1 ALA 35 HB1 ALA 35 4.456 -3.872 1.874
274 HB2 ALA 35 HB2 ALA 35 5.757 -2.863 1.222
275 HB3 ALA 35 HB3 ALA 35 4.139 -2.738 0.522
276 H ASN 36 H ASN 36 5.020 -6.254 1.856
277 HA ASN 36 HA ASN 36 7.770 -6.700 2.383
278 HB2 ASN 36 HB2 ASN 36 6.828 -7.699 4.131
279 HB3 ASN 36 HB3 ASN 36 5.256 -7.697 3.369
280 HD21 ASN 36 HD21 ASN 36 5.083 -9.499 1.529
281 HD22 ASN 36 HD22 ASN 36 5.824 -11.017 1.902
282 H ASP 37 H ASP 37 5.626 -8.083 -0.095
283 HA ASP 37 HA ASP 37 7.268 -10.332 -0.759
284 HB2 ASP 37 HB2 ASP 37 4.819 -9.870 -1.430
285 HB3 ASP 37 HB3 ASP 37 5.458 -8.819 -2.676
286 H ASN 38 H ASN 38 7.294 -6.932 -1.601
287 HA ASN 38 HA ASN 38 9.481 -7.222 -3.592
288 HB2 ASN 38 HB2 ASN 38 7.958 -4.782 -2.566
289 HB3 ASN 38 HB3 ASN 38 9.241 -4.760 -3.767
290 HD21 ASN 38 HD21 ASN 38 5.892 -5.844 -3.177
291 HD22 ASN 38 HD22 ASN 38 5.467 -5.903 -4.847
292 H GLY 39 H GLY 39 9.222 -7.011 -0.227
293 HA2 GLY 39 HA2 GLY 39 10.829 -6.845 1.391
294 HA3 GLY 39 HA3 GLY 39 12.042 -6.412 0.166
295 H VAL 40 H VAL 40 8.944 -4.665 0.568
296 HA VAL 40 HA VAL 40 10.447 -2.296 1.447
297 HB VAL 40 HB VAL 40 7.657 -2.493 0.303
298 HG11 VAL 40 HG11 VAL 40 7.906 -0.474 1.599
299 HG12 VAL 40 HG12 VAL 40 9.412 -0.061 0.769
300 HG13 VAL 40 HG13 VAL 40 7.905 -0.054 -0.125
301 HG21 VAL 40 HG21 VAL 40 8.544 -1.603 -1.817
302 HG22 VAL 40 HG22 VAL 40 10.176 -1.710 -1.201
303 HG23 VAL 40 HG23 VAL 40 9.223 -3.191 -1.439
304 H ASP 41 H ASP 41 10.320 -1.726 3.484
305 HA ASP 41 HA ASP 41 7.828 -2.058 4.981
306 HB2 ASP 41 HB2 ASP 41 8.883 -4.168 5.450
307 HB3 ASP 41 HB3 ASP 41 10.384 -3.371 5.912
308 H GLY 42 H GLY 42 7.599 0.021 5.270
309 HA2 GLY 42 HA2 GLY 42 9.682 1.580 6.713
310 HA3 GLY 42 HA3 GLY 42 8.862 2.163 5.245
311 H GLU 43 H GLU 43 8.148 3.921 6.413
312 HA GLU 43 HA GLU 43 6.147 3.482 8.529
313 HB2 GLU 43 HB2 GLU 43 7.742 5.403 8.757
314 HB3 GLU 43 HB3 GLU 43 7.016 6.135 7.313
315 HG2 GLU 43 HG2 GLU 43 4.780 6.091 8.401
316 HG3 GLU 43 HG3 GLU 43 5.460 5.232 9.787
317 H TRP 44 H TRP 44 4.129 3.001 7.888
318 HA TRP 44 HA TRP 44 3.259 3.538 5.139
319 HB2 TRP 44 HB2 TRP 44 2.018 2.041 7.473
320 HB3 TRP 44 HB3 TRP 44 1.297 2.204 5.882
321 HD1 TRP 44 HD1 TRP 44 4.524 0.700 7.431
322 HE1 TRP 44 HE1 TRP 44 5.189 -1.395 6.101
323 HE3 TRP 44 HE3 TRP 44 1.034 0.999 3.705
324 HZ2 TRP 44 HZ2 TRP 44 4.280 -2.769 3.778
325 HZ3 TRP 44 HZ3 TRP 44 0.903 -0.812 2.005
326 HH2 TRP 44 HH2 TRP 44 2.500 -2.650 2.002
327 H THR 45 H THR 45 1.789 5.067 4.568
328 HA THR 45 HA THR 45 0.320 6.586 6.658
329 HB THR 45 HB THR 45 0.652 8.567 5.503
330 HG1 THR 45 HG1 THR 45 1.446 8.779 3.523
331 HG21 THR 45 HG21 THR 45 3.022 8.947 5.382
332 HG22 THR 45 HG22 THR 45 3.348 7.216 5.174
333 HG23 THR 45 HG23 THR 45 2.709 7.815 6.720
334 H TYR 46 H TYR 46 -1.753 7.646 5.570
335 HA TYR 46 HA TYR 46 -2.867 6.028 3.395
336 HB2 TYR 46 HB2 TYR 46 -3.415 4.667 5.371
337 HB3 TYR 46 HB3 TYR 46 -4.035 6.089 6.199
338 HD1 TYR 46 HD1 TYR 46 -4.611 4.261 2.962
339 HD2 TYR 46 HD2 TYR 46 -6.346 6.415 6.264
340 HE1 TYR 46 HE1 TYR 46 -6.934 3.766 2.110
341 HE2 TYR 46 HE2 TYR 46 -8.602 5.872 5.451
342 HH TYR 46 HH TYR 46 -9.787 4.454 3.993
343 H ASP 47 H ASP 47 -4.051 7.298 2.165
344 HA ASP 47 HA ASP 47 -5.123 9.883 3.164
345 HB2 ASP 47 HB2 ASP 47 -4.082 9.090 0.411
346 HB3 ASP 47 HB3 ASP 47 -4.966 10.580 0.794
347 H ASP 48 H ASP 48 -7.106 9.006 3.772
348 HA ASP 48 HA ASP 48 -8.663 7.127 2.347
349 HB2 ASP 48 HB2 ASP 48 -9.021 8.039 4.684
350 HB3 ASP 48 HB3 ASP 48 -9.682 9.488 3.974
351 H ALA 49 H ALA 49 -8.411 10.558 2.110
352 HA ALA 49 HA ALA 49 -10.516 11.367 0.453
353 HB1 ALA 49 HB1 ALA 49 -8.894 12.960 1.351
354 HB2 ALA 49 HB2 ALA 49 -7.595 12.242 0.357
355 HB3 ALA 49 HB3 ALA 49 -8.932 13.121 -0.419
356 H THR 50 H THR 50 -7.535 9.728 -0.561
357 HA THR 50 HA THR 50 -8.602 9.448 -3.326
358 HB THR 50 HB THR 50 -6.774 11.046 -3.188
359 HG1 THR 50 HG1 THR 50 -6.673 10.027 -5.009
360 HG21 THR 50 HG21 THR 50 -4.455 10.123 -2.583
361 HG22 THR 50 HG22 THR 50 -5.313 8.814 -1.754
362 HG23 THR 50 HG23 THR 50 -5.564 10.504 -1.273
363 H LYS 51 H LYS 51 -8.201 7.800 -0.571
364 HA LYS 51 HA LYS 51 -7.851 5.673 0.084
365 HB2 LYS 51 HB2 LYS 51 -9.104 4.903 -2.574
366 HB3 LYS 51 HB3 LYS 51 -8.993 3.928 -1.103
367 HG2 LYS 51 HG2 LYS 51 -10.239 5.930 0.045
368 HG3 LYS 51 HG3 LYS 51 -10.627 6.435 -1.605
369 HD2 LYS 51 HD2 LYS 51 -12.476 5.156 -1.208
370 HD3 LYS 51 HD3 LYS 51 -11.415 3.888 -1.817
371 HE2 LYS 51 HE2 LYS 51 -12.503 3.079 0.165
372 HE3 LYS 51 HE3 LYS 51 -10.793 3.330 0.556
373 HZ1 LYS 51 HZ1 LYS 51 -12.421 4.197 2.248
374 HZ2 LYS 51 HZ2 LYS 51 -12.898 5.322 1.150
375 HZ3 LYS 51 HZ3 LYS 51 -11.384 5.345 1.738
376 H THR 52 H THR 52 -5.596 6.565 -0.250
377 HA THR 52 HA THR 52 -4.094 4.543 -1.825
378 HB THR 52 HB THR 52 -3.557 7.534 -1.806
379 HG1 THR 52 HG1 THR 52 -5.276 6.781 -3.232
380 HG21 THR 52 HG21 THR 52 -1.826 6.990 -3.490
381 HG22 THR 52 HG22 THR 52 -2.048 5.256 -3.131
382 HG23 THR 52 HG23 THR 52 -1.440 6.365 -1.887
383 H PHE 53 H PHE 53 -2.234 3.777 -0.780
384 HA PHE 53 HA PHE 53 -1.606 4.860 1.937
385 HB2 PHE 53 HB2 PHE 53 -1.235 2.053 0.792
386 HB3 PHE 53 HB3 PHE 53 -0.536 2.604 2.294
387 HD1 PHE 53 HD2 PHE 53 -1.904 2.869 4.353
388 HD2 PHE 53 HD1 PHE 53 -3.513 1.428 0.655
389 HE1 PHE 53 HE2 PHE 53 -3.845 1.943 5.580
390 HE2 PHE 53 HE1 PHE 53 -5.494 0.489 1.872
391 HZ PHE 53 HZ PHE 53 -5.661 0.768 4.346
392 H THR 54 H THR 54 0.695 5.139 2.344
393 HA THR 54 HA THR 54 2.484 4.681 0.015
394 HB THR 54 HB THR 54 2.539 7.153 1.768
395 HG1 THR 54 HG1 THR 54 0.688 7.231 0.580
396 HG21 THR 54 HG21 THR 54 4.679 6.666 0.745
397 HG22 THR 54 HG22 THR 54 3.943 8.075 -0.036
398 HG23 THR 54 HG23 THR 54 3.927 6.501 -0.852
399 H VAL 55 H VAL 55 4.309 3.518 0.673
400 HA VAL 55 HA VAL 55 4.855 3.422 3.614
401 HB VAL 55 HB VAL 55 4.103 1.288 2.924
402 HG11 VAL 55 HG11 VAL 55 6.262 1.190 0.816
403 HG12 VAL 55 HG12 VAL 55 5.176 -0.125 1.276
404 HG13 VAL 55 HG13 VAL 55 4.511 1.329 0.506
405 HG21 VAL 55 HG21 VAL 55 5.945 1.354 4.540
406 HG22 VAL 55 HG22 VAL 55 6.048 -0.107 3.521
407 HG23 VAL 55 HG23 VAL 55 7.132 1.254 3.212
408 H THR 56 H THR 56 6.605 4.582 4.120
409 HA THR 56 HA THR 56 8.605 5.132 1.977
410 HB THR 56 HB THR 56 8.468 6.603 4.554
411 HG1 THR 56 HG1 THR 56 6.335 6.523 3.662
412 HG21 THR 56 HG21 THR 56 10.292 7.008 2.919
413 HG22 THR 56 HG22 THR 56 9.312 8.447 3.237
414 HG23 THR 56 HG23 THR 56 9.091 7.533 1.723
415 H GLU 57 H GLU 57 10.087 3.510 2.184
416 HA GLU 57 HA GLU 57 10.664 1.920 4.450
417 HB2 GLU 57 HB2 GLU 57 11.217 1.418 2.013
418 HB3 GLU 57 HB3 GLU 57 12.673 2.348 2.254
419 HG2 GLU 57 HG2 GLU 57 12.625 0.704 4.504
420 HG3 GLU 57 HG3 GLU 57 11.827 -0.279 3.262
Start of MODEL 13
1 H1 MET 1 H MET 1 -16.435 0.330 1.089
2 HA MET 1 HA MET 1 -14.176 -1.388 0.254
3 HB2 MET 1 HB2 MET 1 -16.550 -2.309 0.292
4 HB3 MET 1 HB3 MET 1 -16.960 -1.177 -0.990
5 HG2 MET 1 HG2 MET 1 -15.625 -2.322 -2.568
6 HG3 MET 1 HG3 MET 1 -14.690 -3.104 -1.319
7 HE1 MET 1 HE1 MET 1 -15.984 -6.240 -2.818
8 HE2 MET 1 HE2 MET 1 -15.383 -4.779 -3.633
9 HE3 MET 1 HE3 MET 1 -14.602 -5.361 -2.142
10 H GLY 2 H GLY 2 -13.891 -1.230 -2.305
11 HA2 GLY 2 HA2 GLY 2 -14.341 0.420 -4.160
12 HA3 GLY 2 HA3 GLY 2 -13.658 1.615 -3.040
13 H THR 3 H THR 3 -12.271 1.707 -5.136
14 HA THR 3 HA THR 3 -10.190 -0.337 -5.281
15 HB THR 3 HB THR 3 -10.315 2.338 -6.723
16 HG1 THR 3 HG1 THR 3 -11.293 0.911 -8.388
17 HG21 THR 3 HG21 THR 3 -9.093 -0.368 -7.465
18 HG22 THR 3 HG22 THR 3 -8.179 1.032 -6.863
19 HG23 THR 3 HG23 THR 3 -9.001 1.128 -8.419
20 H TYR 4 H TYR 4 -8.298 -0.219 -4.210
21 HA TYR 4 HA TYR 4 -7.567 2.252 -2.753
22 HB2 TYR 4 HB2 TYR 4 -7.210 -0.697 -2.136
23 HB3 TYR 4 HB3 TYR 4 -6.376 0.594 -1.314
24 HD1 TYR 4 HD1 TYR 4 -7.586 2.275 0.089
25 HD2 TYR 4 HD2 TYR 4 -9.510 -1.224 -1.550
26 HE1 TYR 4 HE1 TYR 4 -9.357 2.429 1.830
27 HE2 TYR 4 HE2 TYR 4 -11.286 -1.033 0.157
28 HH TYR 4 HH TYR 4 -11.409 1.449 2.690
29 H LYS 5 H LYS 5 -5.367 2.919 -2.992
30 HA LYS 5 HA LYS 5 -3.766 1.498 -5.070
31 HB2 LYS 5 HB2 LYS 5 -4.527 3.666 -5.891
32 HB3 LYS 5 HB3 LYS 5 -3.914 4.459 -4.437
33 HG2 LYS 5 HG2 LYS 5 -1.607 3.878 -5.011
34 HG3 LYS 5 HG3 LYS 5 -2.149 2.860 -6.346
35 HD2 LYS 5 HD2 LYS 5 -1.141 4.916 -7.051
36 HD3 LYS 5 HD3 LYS 5 -2.826 4.801 -7.611
37 HE2 LYS 5 HE2 LYS 5 -2.635 6.095 -4.993
38 HE3 LYS 5 HE3 LYS 5 -1.536 6.874 -6.144
39 HZ1 LYS 5 HZ1 LYS 5 -4.460 6.579 -6.414
40 HZ2 LYS 5 HZ2 LYS 5 -3.461 7.115 -7.627
41 HZ3 LYS 5 HZ3 LYS 5 -3.579 7.970 -6.257
42 H LEU 6 H LEU 6 -1.548 1.202 -4.681
43 HA LEU 6 HA LEU 6 -0.610 1.973 -1.941
44 HB2 LEU 6 HB2 LEU 6 -1.022 -0.362 -1.880
45 HB3 LEU 6 HB3 LEU 6 -0.265 -0.608 -3.443
46 HG LEU 6 HG LEU 6 1.971 0.111 -2.445
47 HD11 LEU 6 HD11 LEU 6 0.361 0.099 0.137
48 HD12 LEU 6 HD12 LEU 6 1.307 1.436 -0.540
49 HD13 LEU 6 HD13 LEU 6 2.139 0.019 0.067
50 HD21 LEU 6 HD21 LEU 6 1.695 -2.169 -2.762
51 HD22 LEU 6 HD22 LEU 6 0.529 -2.337 -1.450
52 HD23 LEU 6 HD23 LEU 6 2.234 -2.025 -1.083
53 H ILE 7 H ILE 7 1.112 3.099 -1.979
54 HA ILE 7 HA ILE 7 2.843 3.262 -4.424
55 HB ILE 7 HB ILE 7 2.344 5.363 -2.298
56 HG12 ILE 7 HG12 ILE 7 1.419 5.277 -5.205
57 HG13 ILE 7 HG13 ILE 7 0.387 5.062 -3.801
58 HG21 ILE 7 HG21 ILE 7 4.670 5.402 -3.296
59 HG22 ILE 7 HG22 ILE 7 3.937 5.557 -4.909
60 HG23 ILE 7 HG23 ILE 7 3.752 6.837 -3.688
61 HD11 ILE 7 HD11 ILE 7 0.920 7.361 -3.042
62 HD12 ILE 7 HD12 ILE 7 1.856 7.621 -4.539
63 HD13 ILE 7 HD13 ILE 7 0.126 7.307 -4.633
64 H LEU 8 H LEU 8 4.626 2.062 -4.104
65 HA LEU 8 HA LEU 8 5.703 1.523 -1.412
66 HB2 LEU 8 HB2 LEU 8 6.540 0.600 -4.194
67 HB3 LEU 8 HB3 LEU 8 7.324 0.110 -2.717
68 HG LEU 8 HG LEU 8 4.421 -0.374 -3.424
69 HD11 LEU 8 HD11 LEU 8 6.029 -1.624 -4.900
70 HD12 LEU 8 HD12 LEU 8 5.103 -2.717 -3.867
71 HD13 LEU 8 HD13 LEU 8 6.784 -2.319 -3.449
72 HD21 LEU 8 HD21 LEU 8 4.574 -0.441 -1.075
73 HD22 LEU 8 HD22 LEU 8 6.064 -1.429 -1.107
74 HD23 LEU 8 HD23 LEU 8 4.495 -2.098 -1.637
75 H ASN 9 H ASN 9 6.819 3.242 -0.690
76 HA ASN 9 HA ASN 9 8.610 4.732 -2.560
77 HB2 ASN 9 HB2 ASN 9 7.097 5.495 -0.054
78 HB3 ASN 9 HB3 ASN 9 8.641 6.262 -0.352
79 HD21 ASN 9 HD21 ASN 9 6.409 7.867 -0.206
80 HD22 ASN 9 HD22 ASN 9 6.119 8.487 -1.801
81 H GLY 10 H GLY 10 9.963 2.694 -2.428
82 HA2 GLY 10 HA2 GLY 10 11.300 2.366 0.160
83 HA3 GLY 10 HA3 GLY 10 11.389 1.249 -1.172
84 H LYS 11 H LYS 11 13.413 2.560 0.507
85 HA LYS 11 HA LYS 11 14.819 4.552 -1.067
86 HB2 LYS 11 HB2 LYS 11 15.623 2.774 1.275
87 HB3 LYS 11 HB3 LYS 11 16.690 4.010 0.595
88 HG2 LYS 11 HG2 LYS 11 15.315 5.807 1.275
89 HG3 LYS 11 HG3 LYS 11 13.880 4.786 1.433
90 HD2 LYS 11 HD2 LYS 11 14.596 5.374 3.609
91 HD3 LYS 11 HD3 LYS 11 14.812 3.647 3.351
92 HE2 LYS 11 HE2 LYS 11 17.264 4.050 3.001
93 HE3 LYS 11 HE3 LYS 11 16.993 5.784 3.288
94 HZ1 LYS 11 HZ1 LYS 11 17.688 4.700 5.330
95 HZ2 LYS 11 HZ2 LYS 11 16.417 3.629 5.225
96 HZ3 LYS 11 HZ3 LYS 11 16.119 5.193 5.472
97 H THR 12 H THR 12 14.542 1.128 -1.227
98 HA THR 12 HA THR 12 16.942 0.747 -2.919
99 HB THR 12 HB THR 12 16.060 -1.690 -2.613
100 HG1 THR 12 HG1 THR 12 14.458 -1.987 -1.181
101 HG21 THR 12 HG21 THR 12 18.028 -0.933 -1.425
102 HG22 THR 12 HG22 THR 12 17.021 -1.857 -0.305
103 HG23 THR 12 HG23 THR 12 17.046 -0.080 -0.221
104 H LEU 13 H LEU 13 13.423 -0.011 -2.801
105 HA LEU 13 HA LEU 13 13.361 0.268 -5.776
106 HB2 LEU 13 HB2 LEU 13 13.646 -2.123 -5.178
107 HB3 LEU 13 HB3 LEU 13 12.230 -2.033 -4.128
108 HG LEU 13 HG LEU 13 10.793 -1.563 -6.113
109 HD11 LEU 13 HD11 LEU 13 11.811 -1.935 -8.386
110 HD12 LEU 13 HD12 LEU 13 13.404 -1.822 -7.616
111 HD13 LEU 13 HD13 LEU 13 12.285 -0.434 -7.620
112 HD21 LEU 13 HD21 LEU 13 11.161 -3.881 -5.334
113 HD22 LEU 13 HD22 LEU 13 12.534 -4.031 -6.453
114 HD23 LEU 13 HD23 LEU 13 10.882 -3.788 -7.076
115 H LYS 14 H LYS 14 11.443 1.071 -6.636
116 HA LYS 14 HA LYS 14 9.225 1.610 -4.739
117 HB2 LYS 14 HB2 LYS 14 10.292 3.555 -6.833
118 HB3 LYS 14 HB3 LYS 14 8.839 3.731 -5.850
119 HG2 LYS 14 HG2 LYS 14 9.935 4.632 -4.172
120 HG3 LYS 14 HG3 LYS 14 10.974 3.226 -4.025
121 HD2 LYS 14 HD2 LYS 14 11.428 5.671 -5.745
122 HD3 LYS 14 HD3 LYS 14 12.271 5.269 -4.243
123 HE2 LYS 14 HE2 LYS 14 13.400 3.397 -5.218
124 HE3 LYS 14 HE3 LYS 14 12.391 3.461 -6.683
125 HZ1 LYS 14 HZ1 LYS 14 14.310 5.536 -5.861
126 HZ2 LYS 14 HZ2 LYS 14 13.303 5.612 -7.165
127 HZ3 LYS 14 HZ3 LYS 14 14.507 4.505 -7.135
128 H GLY 15 H GLY 15 7.189 1.689 -5.661
129 HA2 GLY 15 HA2 GLY 15 6.663 1.240 -8.443
130 HA3 GLY 15 HA3 GLY 15 6.590 -0.292 -7.547
131 H GLU 16 H GLU 16 4.230 0.447 -8.713
132 HA GLU 16 HA GLU 16 2.556 1.282 -6.425
133 HB2 GLU 16 HB2 GLU 16 2.458 2.265 -9.304
134 HB3 GLU 16 HB3 GLU 16 1.059 2.277 -8.238
135 HG2 GLU 16 HG2 GLU 16 2.308 3.759 -6.664
136 HG3 GLU 16 HG3 GLU 16 3.553 3.941 -7.922
137 H THR 17 H THR 17 0.441 0.465 -6.570
138 HA THR 17 HA THR 17 -0.403 -1.330 -8.638
139 HB THR 17 HB THR 17 1.017 -2.787 -7.221
140 HG1 THR 17 HG1 THR 17 -0.490 -4.078 -7.976
141 HG21 THR 17 HG21 THR 17 0.726 -1.760 -4.995
142 HG22 THR 17 HG22 THR 17 0.401 -3.490 -4.965
143 HG23 THR 17 HG23 THR 17 -0.951 -2.353 -4.940
144 H THR 18 H THR 18 -2.749 -1.959 -8.220
145 HA THR 18 HA THR 18 -4.205 -0.180 -6.350
146 HB THR 18 HB THR 18 -5.894 0.117 -8.172
147 HG1 THR 18 HG1 THR 18 -4.893 -1.323 -9.751
148 HG21 THR 18 HG21 THR 18 -3.183 1.482 -8.518
149 HG22 THR 18 HG22 THR 18 -4.393 1.919 -7.305
150 HG23 THR 18 HG23 THR 18 -4.759 2.151 -9.016
151 H THR 19 H THR 19 -5.961 -1.381 -5.406
152 HA THR 19 HA THR 19 -6.754 -3.858 -6.685
153 HB THR 19 HB THR 19 -4.613 -4.121 -5.121
154 HG1 THR 19 HG1 THR 19 -5.431 -5.746 -6.148
155 HG21 THR 19 HG21 THR 19 -6.710 -4.627 -2.990
156 HG22 THR 19 HG22 THR 19 -5.819 -3.107 -3.094
157 HG23 THR 19 HG23 THR 19 -4.936 -4.623 -2.838
158 H GLU 20 H GLU 20 -8.852 -4.624 -5.801
159 HA GLU 20 HA GLU 20 -10.293 -2.410 -4.421
160 HB2 GLU 20 HB2 GLU 20 -11.140 -4.620 -6.298
161 HB3 GLU 20 HB3 GLU 20 -12.290 -3.978 -5.103
162 HG2 GLU 20 HG2 GLU 20 -11.924 -1.696 -5.918
163 HG3 GLU 20 HG3 GLU 20 -10.740 -2.273 -7.096
164 H ALA 21 H ALA 21 -10.767 -2.669 -2.289
165 HA ALA 21 HA ALA 21 -10.656 -5.426 -1.159
166 HB1 ALA 21 HB1 ALA 21 -9.553 -4.485 0.800
167 HB2 ALA 21 HB2 ALA 21 -8.570 -4.150 -0.643
168 HB3 ALA 21 HB3 ALA 21 -9.579 -2.882 0.092
169 H VAL 22 H VAL 22 -12.065 -5.736 0.622
170 HA VAL 22 HA VAL 22 -14.547 -4.373 0.346
171 HB VAL 22 HB VAL 22 -14.083 -6.788 1.097
172 HG11 VAL 22 HG11 VAL 22 -14.246 -5.569 3.894
173 HG12 VAL 22 HG12 VAL 22 -14.097 -7.275 3.459
174 HG13 VAL 22 HG13 VAL 22 -12.755 -6.154 3.165
175 HG21 VAL 22 HG21 VAL 22 -16.255 -6.929 2.140
176 HG22 VAL 22 HG22 VAL 22 -16.235 -5.201 2.541
177 HG23 VAL 22 HG23 VAL 22 -16.293 -5.724 0.844
178 H ASP 23 H ASP 23 -11.873 -3.977 2.699
179 HA ASP 23 HA ASP 23 -12.917 -1.409 3.485
180 HB2 ASP 23 HB2 ASP 23 -12.878 -1.887 5.864
181 HB3 ASP 23 HB3 ASP 23 -14.099 -2.864 5.064
182 H ALA 24 H ALA 24 -11.315 -0.538 5.193
183 HA ALA 24 HA ALA 24 -8.784 -0.370 3.911
184 HB1 ALA 24 HB1 ALA 24 -8.156 1.002 5.873
185 HB2 ALA 24 HB2 ALA 24 -9.742 1.470 5.242
186 HB3 ALA 24 HB3 ALA 24 -9.626 0.484 6.722
187 H ALA 25 H ALA 25 -9.978 -2.720 6.312
188 HA ALA 25 HA ALA 25 -7.306 -3.304 7.308
189 HB1 ALA 25 HB1 ALA 25 -10.005 -4.689 7.619
190 HB2 ALA 25 HB2 ALA 25 -8.495 -5.374 8.205
191 HB3 ALA 25 HB3 ALA 25 -9.048 -3.808 8.832
192 H THR 26 H THR 26 -9.635 -4.896 5.032
193 HA THR 26 HA THR 26 -7.836 -7.006 4.263
194 HB THR 26 HB THR 26 -9.811 -5.480 2.565
195 HG1 THR 26 HG1 THR 26 -10.232 -7.766 4.183
196 HG21 THR 26 HG21 THR 26 -8.372 -6.783 1.098
197 HG22 THR 26 HG22 THR 26 -9.962 -7.538 1.161
198 HG23 THR 26 HG23 THR 26 -8.607 -8.225 2.088
199 H ALA 27 H ALA 27 -8.266 -3.614 3.099
200 HA ALA 27 HA ALA 27 -6.472 -3.850 1.019
201 HB1 ALA 27 HB1 ALA 27 -8.067 -1.914 1.370
202 HB2 ALA 27 HB2 ALA 27 -7.012 -1.316 2.657
203 HB3 ALA 27 HB3 ALA 27 -6.419 -1.389 0.988
204 H GLU 28 H GLU 28 -5.891 -2.617 4.333
205 HA GLU 28 HA GLU 28 -3.151 -2.083 3.960
206 HB2 GLU 28 HB2 GLU 28 -4.580 -1.247 5.815
207 HB3 GLU 28 HB3 GLU 28 -4.525 -2.850 6.568
208 HG2 GLU 28 HG2 GLU 28 -2.060 -2.664 6.744
209 HG3 GLU 28 HG3 GLU 28 -2.105 -1.092 5.924
210 H LYS 29 H LYS 29 -4.733 -5.105 4.944
211 HA LYS 29 HA LYS 29 -2.298 -6.516 5.611
212 HB2 LYS 29 HB2 LYS 29 -5.090 -7.448 4.763
213 HB3 LYS 29 HB3 LYS 29 -3.811 -8.551 5.253
214 HG2 LYS 29 HG2 LYS 29 -3.700 -7.583 7.473
215 HG3 LYS 29 HG3 LYS 29 -4.877 -6.343 7.074
216 HD2 LYS 29 HD2 LYS 29 -5.414 -9.342 7.077
217 HD3 LYS 29 HD3 LYS 29 -5.799 -8.233 8.409
218 HE2 LYS 29 HE2 LYS 29 -7.375 -7.019 7.055
219 HE3 LYS 29 HE3 LYS 29 -6.933 -7.961 5.619
220 HZ1 LYS 29 HZ1 LYS 29 -8.064 -9.228 8.024
221 HZ2 LYS 29 HZ2 LYS 29 -7.921 -9.866 6.518
222 HZ3 LYS 29 HZ3 LYS 29 -9.009 -8.674 6.818
223 H VAL 30 H VAL 30 -4.338 -6.491 2.618
224 HA VAL 30 HA VAL 30 -2.698 -8.250 1.141
225 HB VAL 30 HB VAL 30 -4.726 -6.117 0.492
226 HG11 VAL 30 HG11 VAL 30 -3.263 -5.929 -1.472
227 HG12 VAL 30 HG12 VAL 30 -3.264 -7.701 -1.667
228 HG13 VAL 30 HG13 VAL 30 -4.756 -6.751 -1.881
229 HG21 VAL 30 HG21 VAL 30 -4.555 -9.102 0.035
230 HG22 VAL 30 HG22 VAL 30 -5.384 -8.299 1.391
231 HG23 VAL 30 HG23 VAL 30 -5.989 -8.062 -0.250
232 H PHE 31 H PHE 31 -2.720 -4.651 1.067
233 HA PHE 31 HA PHE 31 -0.390 -4.366 -0.497
234 HB2 PHE 31 HB2 PHE 31 -1.470 -2.641 1.771
235 HB3 PHE 31 HB3 PHE 31 -0.220 -2.120 0.649
236 HD1 PHE 31 HD1 PHE 31 -1.590 -3.578 -1.881
237 HD2 PHE 31 HD2 PHE 31 -2.947 -0.816 1.180
238 HE1 PHE 31 HE1 PHE 31 -3.331 -2.856 -3.325
239 HE2 PHE 31 HE2 PHE 31 -4.679 -0.023 -0.360
240 HZ PHE 31 HZ PHE 31 -4.860 -1.013 -2.688
241 H LYS 32 H LYS 32 -0.607 -4.787 3.015
242 HA LYS 32 HA LYS 32 2.191 -4.267 3.508
243 HB2 LYS 32 HB2 LYS 32 0.041 -5.722 5.008
244 HB3 LYS 32 HB3 LYS 32 1.677 -6.243 5.312
245 HG2 LYS 32 HG2 LYS 32 1.851 -3.399 5.289
246 HG3 LYS 32 HG3 LYS 32 0.355 -3.757 6.172
247 HD2 LYS 32 HD2 LYS 32 1.564 -5.173 7.705
248 HD3 LYS 32 HD3 LYS 32 2.994 -5.171 6.693
249 HE2 LYS 32 HE2 LYS 32 3.446 -3.704 8.542
250 HE3 LYS 32 HE3 LYS 32 3.377 -2.758 7.065
251 HZ1 LYS 32 HZ1 LYS 32 1.426 -1.740 7.775
252 HZ2 LYS 32 HZ2 LYS 32 2.140 -2.038 9.219
253 HZ3 LYS 32 HZ3 LYS 32 0.955 -3.014 8.695
254 H GLN 33 H GLN 33 0.586 -7.305 2.653
255 HA GLN 33 HA GLN 33 2.983 -8.810 2.594
256 HB2 GLN 33 HB2 GLN 33 0.481 -9.606 2.542
257 HB3 GLN 33 HB3 GLN 33 0.574 -9.284 0.811
258 HG2 GLN 33 HG2 GLN 33 1.082 -11.545 0.941
259 HG3 GLN 33 HG3 GLN 33 2.682 -10.809 0.833
260 HE21 GLN 33 HE21 GLN 33 4.064 -10.861 2.767
261 HE22 GLN 33 HE22 GLN 33 3.640 -11.964 4.078
262 H TYR 34 H TYR 34 1.266 -6.890 0.102
263 HA TYR 34 HA TYR 34 2.957 -7.603 -2.070
264 HB2 TYR 34 HB2 TYR 34 0.688 -6.296 -2.010
265 HB3 TYR 34 HB3 TYR 34 1.705 -4.865 -1.861
266 HD1 TYR 34 HD1 TYR 34 0.798 -7.771 -3.975
267 HD2 TYR 34 HD2 TYR 34 3.112 -4.137 -3.764
268 HE1 TYR 34 HE1 TYR 34 1.179 -7.878 -6.421
269 HE2 TYR 34 HE2 TYR 34 3.522 -4.251 -6.206
270 HH TYR 34 HH TYR 34 3.422 -5.794 -8.120
271 H ALA 35 H ALA 35 3.281 -5.026 0.332
272 HA ALA 35 HA ALA 35 5.624 -3.859 -0.914
273 HB1 ALA 35 HB1 ALA 35 4.646 -3.762 1.934
274 HB2 ALA 35 HB2 ALA 35 5.911 -2.708 1.267
275 HB3 ALA 35 HB3 ALA 35 4.264 -2.594 0.627
276 H ASN 36 H ASN 36 5.147 -6.172 1.761
277 HA ASN 36 HA ASN 36 7.878 -6.623 2.342
278 HB2 ASN 36 HB2 ASN 36 6.918 -7.801 3.968
279 HB3 ASN 36 HB3 ASN 36 5.355 -7.733 3.177
280 HD21 ASN 36 HD21 ASN 36 5.129 -9.378 1.270
281 HD22 ASN 36 HD22 ASN 36 5.778 -10.962 1.528
282 H ASP 37 H ASP 37 5.836 -7.923 -0.266
283 HA ASP 37 HA ASP 37 7.530 -10.010 -1.179
284 HB2 ASP 37 HB2 ASP 37 5.189 -9.711 -1.940
285 HB3 ASP 37 HB3 ASP 37 5.636 -8.222 -2.741
286 H ASN 38 H ASN 38 7.387 -6.552 -1.859
287 HA ASN 38 HA ASN 38 9.642 -6.591 -3.760
288 HB2 ASN 38 HB2 ASN 38 7.995 -4.321 -2.557
289 HB3 ASN 38 HB3 ASN 38 9.304 -4.100 -3.709
290 HD21 ASN 38 HD21 ASN 38 6.013 -5.447 -3.330
291 HD22 ASN 38 HD22 ASN 38 5.605 -5.312 -4.984
292 H GLY 39 H GLY 39 9.453 -6.784 -0.417
293 HA2 GLY 39 HA2 GLY 39 11.001 -6.608 1.241
294 HA3 GLY 39 HA3 GLY 39 12.226 -6.207 0.014
295 H VAL 40 H VAL 40 9.133 -4.535 0.846
296 HA VAL 40 HA VAL 40 10.677 -2.111 1.621
297 HB VAL 40 HB VAL 40 7.884 -2.320 0.431
298 HG11 VAL 40 HG11 VAL 40 8.099 0.122 0.100
299 HG12 VAL 40 HG12 VAL 40 8.247 -0.304 1.812
300 HG13 VAL 40 HG13 VAL 40 9.699 0.081 0.860
301 HG21 VAL 40 HG21 VAL 40 9.432 -2.989 -1.298
302 HG22 VAL 40 HG22 VAL 40 8.788 -1.373 -1.613
303 HG23 VAL 40 HG23 VAL 40 10.454 -1.560 -0.991
304 H ASP 41 H ASP 41 10.440 -1.680 3.745
305 HA ASP 41 HA ASP 41 7.865 -2.157 5.095
306 HB2 ASP 41 HB2 ASP 41 8.932 -4.350 5.262
307 HB3 ASP 41 HB3 ASP 41 10.382 -3.607 5.935
308 H GLY 42 H GLY 42 7.721 -0.031 5.495
309 HA2 GLY 42 HA2 GLY 42 9.569 1.143 7.493
310 HA3 GLY 42 HA3 GLY 42 9.289 2.007 5.984
311 H GLU 43 H GLU 43 8.183 3.772 6.627
312 HA GLU 43 HA GLU 43 6.010 3.542 8.558
313 HB2 GLU 43 HB2 GLU 43 7.539 5.463 8.732
314 HB3 GLU 43 HB3 GLU 43 7.151 5.969 7.081
315 HG2 GLU 43 HG2 GLU 43 4.757 6.331 7.757
316 HG3 GLU 43 HG3 GLU 43 5.153 5.757 9.381
317 H TRP 44 H TRP 44 4.145 2.864 7.922
318 HA TRP 44 HA TRP 44 3.105 3.246 5.225
319 HB2 TRP 44 HB2 TRP 44 2.032 1.884 7.726
320 HB3 TRP 44 HB3 TRP 44 1.169 1.968 6.193
321 HD1 TRP 44 HD1 TRP 44 4.521 0.555 7.559
322 HE1 TRP 44 HE1 TRP 44 5.271 -1.416 6.133
323 HE3 TRP 44 HE3 TRP 44 0.786 0.636 4.079
324 HZ2 TRP 44 HZ2 TRP 44 4.402 -2.732 3.766
325 HZ3 TRP 44 HZ3 TRP 44 0.835 -0.934 2.170
326 HH2 TRP 44 HH2 TRP 44 2.592 -2.631 2.000
327 H THR 45 H THR 45 1.578 4.742 4.660
328 HA THR 45 HA THR 45 0.210 6.403 6.704
329 HB THR 45 HB THR 45 0.538 8.320 5.257
330 HG1 THR 45 HG1 THR 45 1.668 8.046 3.286
331 HG21 THR 45 HG21 THR 45 3.227 6.882 5.326
332 HG22 THR 45 HG22 THR 45 2.502 7.696 6.734
333 HG23 THR 45 HG23 THR 45 2.935 8.631 5.297
334 H TYR 46 H TYR 46 -1.818 7.619 5.549
335 HA TYR 46 HA TYR 46 -2.933 6.074 3.343
336 HB2 TYR 46 HB2 TYR 46 -3.659 4.786 5.312
337 HB3 TYR 46 HB3 TYR 46 -4.300 6.250 6.048
338 HD1 TYR 46 HD1 TYR 46 -4.564 4.333 2.809
339 HD2 TYR 46 HD2 TYR 46 -6.634 6.600 5.819
340 HE1 TYR 46 HE1 TYR 46 -6.683 3.980 1.594
341 HE2 TYR 46 HE2 TYR 46 -8.761 6.191 4.667
342 HH TYR 46 HH TYR 46 -9.774 5.518 2.504
343 H ASP 47 H ASP 47 -4.436 7.241 2.218
344 HA ASP 47 HA ASP 47 -5.187 10.000 3.070
345 HB2 ASP 47 HB2 ASP 47 -3.927 9.165 0.417
346 HB3 ASP 47 HB3 ASP 47 -4.868 10.636 0.643
347 H ASP 48 H ASP 48 -7.294 9.314 3.440
348 HA ASP 48 HA ASP 48 -8.746 7.462 1.824
349 HB2 ASP 48 HB2 ASP 48 -9.141 8.661 4.263
350 HB3 ASP 48 HB3 ASP 48 -10.324 9.527 3.297
351 H ALA 49 H ALA 49 -8.219 10.872 1.527
352 HA ALA 49 HA ALA 49 -10.338 11.701 -0.162
353 HB1 ALA 49 HB1 ALA 49 -7.416 12.479 -0.025
354 HB2 ALA 49 HB2 ALA 49 -8.678 13.477 -0.810
355 HB3 ALA 49 HB3 ALA 49 -8.732 13.180 0.943
356 H THR 50 H THR 50 -7.610 9.758 -0.846
357 HA THR 50 HA THR 50 -8.320 9.491 -3.714
358 HB THR 50 HB THR 50 -6.528 11.145 -3.583
359 HG1 THR 50 HG1 THR 50 -6.106 10.197 -5.379
360 HG21 THR 50 HG21 THR 50 -5.480 10.535 -1.473
361 HG22 THR 50 HG22 THR 50 -4.286 10.605 -2.760
362 HG23 THR 50 HG23 THR 50 -4.878 9.033 -2.162
363 H LYS 51 H LYS 51 -8.382 8.012 -0.920
364 HA LYS 51 HA LYS 51 -7.980 6.002 0.020
365 HB2 LYS 51 HB2 LYS 51 -9.100 5.070 -2.649
366 HB3 LYS 51 HB3 LYS 51 -9.174 4.220 -1.090
367 HG2 LYS 51 HG2 LYS 51 -10.362 6.288 -0.157
368 HG3 LYS 51 HG3 LYS 51 -10.471 6.879 -1.826
369 HD2 LYS 51 HD2 LYS 51 -12.525 5.932 -1.559
370 HD3 LYS 51 HD3 LYS 51 -11.635 4.610 -2.312
371 HE2 LYS 51 HE2 LYS 51 -11.324 3.523 -0.140
372 HE3 LYS 51 HE3 LYS 51 -11.971 4.935 0.720
373 HZ1 LYS 51 HZ1 LYS 51 -13.545 3.035 0.348
374 HZ2 LYS 51 HZ2 LYS 51 -13.533 3.431 -1.265
375 HZ3 LYS 51 HZ3 LYS 51 -14.087 4.498 -0.146
376 H THR 52 H THR 52 -5.611 6.831 -0.456
377 HA THR 52 HA THR 52 -4.168 4.591 -1.803
378 HB THR 52 HB THR 52 -3.402 7.522 -1.547
379 HG1 THR 52 HG1 THR 52 -5.092 6.754 -3.141
380 HG21 THR 52 HG21 THR 52 -1.353 6.209 -1.619
381 HG22 THR 52 HG22 THR 52 -1.611 6.980 -3.175
382 HG23 THR 52 HG23 THR 52 -1.973 5.246 -2.975
383 H PHE 53 H PHE 53 -2.379 3.803 -0.824
384 HA PHE 53 HA PHE 53 -1.760 4.538 1.992
385 HB2 PHE 53 HB2 PHE 53 -1.784 1.899 0.452
386 HB3 PHE 53 HB3 PHE 53 -0.918 2.078 1.947
387 HD1 PHE 53 HD2 PHE 53 -2.087 2.340 4.105
388 HD2 PHE 53 HD1 PHE 53 -4.157 1.903 0.399
389 HE1 PHE 53 HE2 PHE 53 -4.109 1.585 5.368
390 HE2 PHE 53 HE1 PHE 53 -6.225 1.097 1.650
391 HZ PHE 53 HZ PHE 53 -6.164 0.934 4.128
392 H THR 54 H THR 54 0.558 4.850 2.359
393 HA THR 54 HA THR 54 2.284 4.270 0.029
394 HB THR 54 HB THR 54 2.404 6.863 1.593
395 HG1 THR 54 HG1 THR 54 0.551 6.623 0.271
396 HG21 THR 54 HG21 THR 54 3.874 7.544 -0.322
397 HG22 THR 54 HG22 THR 54 3.895 5.865 -0.860
398 HG23 THR 54 HG23 THR 54 4.558 6.288 0.717
399 H VAL 55 H VAL 55 4.200 3.365 0.674
400 HA VAL 55 HA VAL 55 4.697 3.223 3.637
401 HB VAL 55 HB VAL 55 3.977 1.094 2.980
402 HG11 VAL 55 HG11 VAL 55 6.095 0.980 0.827
403 HG12 VAL 55 HG12 VAL 55 4.977 -0.307 1.318
404 HG13 VAL 55 HG13 VAL 55 4.353 1.164 0.542
405 HG21 VAL 55 HG21 VAL 55 5.843 1.195 4.575
406 HG22 VAL 55 HG22 VAL 55 5.966 -0.266 3.573
407 HG23 VAL 55 HG23 VAL 55 7.020 1.118 3.247
408 H THR 56 H THR 56 6.326 4.507 4.130
409 HA THR 56 HA THR 56 8.336 5.146 2.060
410 HB THR 56 HB THR 56 8.316 6.503 4.714
411 HG1 THR 56 HG1 THR 56 6.106 6.426 4.101
412 HG21 THR 56 HG21 THR 56 9.963 6.959 2.910
413 HG22 THR 56 HG22 THR 56 8.989 8.391 3.314
414 HG23 THR 56 HG23 THR 56 8.643 7.458 1.838
415 H GLU 57 H GLU 57 9.950 3.600 2.144
416 HA GLU 57 HA GLU 57 10.657 2.088 4.494
417 HB2 GLU 57 HB2 GLU 57 10.947 1.521 1.945
418 HB3 GLU 57 HB3 GLU 57 12.439 2.434 2.096
419 HG2 GLU 57 HG2 GLU 57 12.837 0.837 4.170
420 HG3 GLU 57 HG3 GLU 57 11.552 -0.109 3.423
Start of MODEL 14
1 H1 MET 1 H MET 1 -16.498 -0.523 1.142
2 HA MET 1 HA MET 1 -14.293 -2.202 0.177
3 HB2 MET 1 HB2 MET 1 -16.513 -3.332 0.349
4 HB3 MET 1 HB3 MET 1 -17.175 -2.182 -0.814
5 HG2 MET 1 HG2 MET 1 -15.937 -3.109 -2.605
6 HG3 MET 1 HG3 MET 1 -14.686 -3.720 -1.541
7 HE1 MET 1 HE1 MET 1 -14.425 -5.962 -2.724
8 HE2 MET 1 HE2 MET 1 -15.812 -6.980 -3.178
9 HE3 MET 1 HE3 MET 1 -15.616 -5.369 -3.907
10 H GLY 2 H GLY 2 -13.724 -1.954 -2.150
11 HA2 GLY 2 HA2 GLY 2 -14.334 -0.536 -4.155
12 HA3 GLY 2 HA3 GLY 2 -14.057 0.841 -3.092
13 H THR 3 H THR 3 -12.526 1.158 -5.032
14 HA THR 3 HA THR 3 -10.165 -0.473 -5.100
15 HB THR 3 HB THR 3 -10.495 2.237 -6.389
16 HG1 THR 3 HG1 THR 3 -11.663 1.324 -7.973
17 HG21 THR 3 HG21 THR 3 -8.341 1.079 -6.744
18 HG22 THR 3 HG22 THR 3 -9.292 1.083 -8.240
19 HG23 THR 3 HG23 THR 3 -9.198 -0.392 -7.264
20 H TYR 4 H TYR 4 -8.238 -0.116 -4.321
21 HA TYR 4 HA TYR 4 -7.591 2.302 -2.759
22 HB2 TYR 4 HB2 TYR 4 -7.130 -0.661 -2.275
23 HB3 TYR 4 HB3 TYR 4 -6.216 0.580 -1.449
24 HD1 TYR 4 HD1 TYR 4 -7.237 2.214 0.009
25 HD2 TYR 4 HD2 TYR 4 -9.436 -1.098 -1.598
26 HE1 TYR 4 HE1 TYR 4 -8.842 2.428 1.886
27 HE2 TYR 4 HE2 TYR 4 -11.108 -0.887 0.229
28 HH TYR 4 HH TYR 4 -11.697 0.329 2.253
29 H LYS 5 H LYS 5 -5.250 2.750 -2.713
30 HA LYS 5 HA LYS 5 -3.641 1.593 -4.938
31 HB2 LYS 5 HB2 LYS 5 -4.562 3.774 -5.670
32 HB3 LYS 5 HB3 LYS 5 -3.998 4.509 -4.183
33 HG2 LYS 5 HG2 LYS 5 -1.628 4.070 -4.831
34 HG3 LYS 5 HG3 LYS 5 -2.172 3.333 -6.329
35 HD2 LYS 5 HD2 LYS 5 -2.696 6.221 -5.474
36 HD3 LYS 5 HD3 LYS 5 -1.334 5.726 -6.472
37 HE2 LYS 5 HE2 LYS 5 -4.270 5.341 -7.191
38 HE3 LYS 5 HE3 LYS 5 -3.248 6.658 -7.774
39 HZ1 LYS 5 HZ1 LYS 5 -2.582 3.826 -8.260
40 HZ2 LYS 5 HZ2 LYS 5 -1.926 5.157 -8.990
41 HZ3 LYS 5 HZ3 LYS 5 -3.477 4.738 -9.289
42 H LEU 6 H LEU 6 -1.437 1.461 -4.550
43 HA LEU 6 HA LEU 6 -0.466 2.175 -1.825
44 HB2 LEU 6 HB2 LEU 6 -0.775 -0.213 -1.884
45 HB3 LEU 6 HB3 LEU 6 -0.001 -0.310 -3.454
46 HG LEU 6 HG LEU 6 2.177 0.418 -2.386
47 HD11 LEU 6 HD11 LEU 6 0.474 0.307 0.130
48 HD12 LEU 6 HD12 LEU 6 1.420 1.674 -0.474
49 HD13 LEU 6 HD13 LEU 6 2.255 0.259 0.147
50 HD21 LEU 6 HD21 LEU 6 0.767 -2.105 -1.514
51 HD22 LEU 6 HD22 LEU 6 2.429 -1.752 -1.017
52 HD23 LEU 6 HD23 LEU 6 2.024 -1.870 -2.732
53 H ILE 7 H ILE 7 1.405 3.256 -1.888
54 HA ILE 7 HA ILE 7 2.917 3.512 -4.451
55 HB ILE 7 HB ILE 7 2.442 5.590 -2.291
56 HG12 ILE 7 HG12 ILE 7 1.364 5.430 -5.136
57 HG13 ILE 7 HG13 ILE 7 0.422 5.235 -3.664
58 HG21 ILE 7 HG21 ILE 7 4.707 5.695 -3.393
59 HG22 ILE 7 HG22 ILE 7 3.898 5.851 -4.964
60 HG23 ILE 7 HG23 ILE 7 3.729 7.111 -3.716
61 HD11 ILE 7 HD11 ILE 7 0.849 7.552 -3.020
62 HD12 ILE 7 HD12 ILE 7 1.787 7.815 -4.514
63 HD13 ILE 7 HD13 ILE 7 0.067 7.439 -4.610
64 H LEU 8 H LEU 8 4.685 2.268 -4.192
65 HA LEU 8 HA LEU 8 5.812 1.698 -1.529
66 HB2 LEU 8 HB2 LEU 8 6.577 0.787 -4.324
67 HB3 LEU 8 HB3 LEU 8 7.375 0.257 -2.864
68 HG LEU 8 HG LEU 8 4.441 -0.168 -3.510
69 HD11 LEU 8 HD11 LEU 8 6.797 -2.118 -3.765
70 HD12 LEU 8 HD12 LEU 8 5.956 -1.347 -5.120
71 HD13 LEU 8 HD13 LEU 8 5.092 -2.498 -4.098
72 HD21 LEU 8 HD21 LEU 8 6.199 -1.340 -1.330
73 HD22 LEU 8 HD22 LEU 8 4.613 -1.992 -1.802
74 HD23 LEU 8 HD23 LEU 8 4.722 -0.354 -1.162
75 H ASN 9 H ASN 9 7.005 3.348 -0.795
76 HA ASN 9 HA ASN 9 8.884 4.774 -2.646
77 HB2 ASN 9 HB2 ASN 9 7.438 5.693 -0.163
78 HB3 ASN 9 HB3 ASN 9 8.954 6.434 -0.658
79 HD21 ASN 9 HD21 ASN 9 6.416 7.744 -0.471
80 HD22 ASN 9 HD22 ASN 9 6.139 8.420 -2.050
81 H GLY 10 H GLY 10 10.159 2.650 -2.376
82 HA2 GLY 10 HA2 GLY 10 11.326 2.383 0.287
83 HA3 GLY 10 HA3 GLY 10 11.469 1.222 -1.008
84 H LYS 11 H LYS 11 13.523 2.330 0.700
85 HA LYS 11 HA LYS 11 15.028 4.337 -0.693
86 HB2 LYS 11 HB2 LYS 11 16.039 2.211 1.237
87 HB3 LYS 11 HB3 LYS 11 16.879 3.680 0.771
88 HG2 LYS 11 HG2 LYS 11 14.390 3.431 2.492
89 HG3 LYS 11 HG3 LYS 11 15.976 4.022 2.925
90 HD2 LYS 11 HD2 LYS 11 14.871 5.988 2.823
91 HD3 LYS 11 HD3 LYS 11 15.504 5.935 1.181
92 HE2 LYS 11 HE2 LYS 11 13.360 5.302 0.291
93 HE3 LYS 11 HE3 LYS 11 12.726 4.913 1.907
94 HZ1 LYS 11 HZ1 LYS 11 12.521 7.116 2.426
95 HZ2 LYS 11 HZ2 LYS 11 12.155 7.143 0.799
96 HZ3 LYS 11 HZ3 LYS 11 13.621 7.640 1.345
97 H THR 12 H THR 12 14.653 0.895 -1.390
98 HA THR 12 HA THR 12 16.804 1.261 -3.426
99 HB THR 12 HB THR 12 17.491 -1.002 -3.206
100 HG1 THR 12 HG1 THR 12 16.023 -1.316 -0.824
101 HG21 THR 12 HG21 THR 12 18.708 -0.892 -1.146
102 HG22 THR 12 HG22 THR 12 17.546 0.245 -0.427
103 HG23 THR 12 HG23 THR 12 18.572 0.753 -1.778
104 H LEU 13 H LEU 13 13.494 0.094 -2.746
105 HA LEU 13 HA LEU 13 13.200 -0.317 -5.687
106 HB2 LEU 13 HB2 LEU 13 13.395 -2.475 -4.652
107 HB3 LEU 13 HB3 LEU 13 12.196 -2.093 -3.423
108 HG LEU 13 HG LEU 13 11.447 -2.019 -6.374
109 HD11 LEU 13 HD11 LEU 13 12.543 -4.180 -6.051
110 HD12 LEU 13 HD12 LEU 13 10.806 -4.410 -6.209
111 HD13 LEU 13 HD13 LEU 13 11.568 -4.498 -4.605
112 HD21 LEU 13 HD21 LEU 13 9.649 -1.239 -4.910
113 HD22 LEU 13 HD22 LEU 13 9.919 -2.587 -3.796
114 HD23 LEU 13 HD23 LEU 13 9.241 -2.861 -5.412
115 H LYS 14 H LYS 14 11.407 0.693 -6.530
116 HA LYS 14 HA LYS 14 9.346 1.658 -4.650
117 HB2 LYS 14 HB2 LYS 14 10.753 3.382 -6.740
118 HB3 LYS 14 HB3 LYS 14 9.255 3.805 -5.867
119 HG2 LYS 14 HG2 LYS 14 10.240 4.457 -4.064
120 HG3 LYS 14 HG3 LYS 14 11.321 3.092 -3.976
121 HD2 LYS 14 HD2 LYS 14 11.819 5.543 -5.699
122 HD3 LYS 14 HD3 LYS 14 12.365 5.313 -4.020
123 HE2 LYS 14 HE2 LYS 14 13.490 3.177 -4.737
124 HE3 LYS 14 HE3 LYS 14 13.201 3.665 -6.419
125 HZ1 LYS 14 HZ1 LYS 14 15.357 4.354 -5.703
126 HZ2 LYS 14 HZ2 LYS 14 14.787 5.151 -4.392
127 HZ3 LYS 14 HZ3 LYS 14 14.452 5.726 -5.884
128 H GLY 15 H GLY 15 7.281 2.004 -5.703
129 HA2 GLY 15 HA2 GLY 15 6.803 1.432 -8.424
130 HA3 GLY 15 HA3 GLY 15 6.568 -0.052 -7.478
131 H GLU 16 H GLU 16 4.294 0.641 -8.598
132 HA GLU 16 HA GLU 16 2.652 1.832 -6.451
133 HB2 GLU 16 HB2 GLU 16 2.992 2.820 -9.295
134 HB3 GLU 16 HB3 GLU 16 1.388 2.900 -8.575
135 HG2 GLU 16 HG2 GLU 16 1.944 4.466 -7.012
136 HG3 GLU 16 HG3 GLU 16 3.658 4.056 -6.983
137 H THR 17 H THR 17 0.791 0.602 -6.173
138 HA THR 17 HA THR 17 -0.217 -0.992 -8.452
139 HB THR 17 HB THR 17 1.251 -2.479 -7.143
140 HG1 THR 17 HG1 THR 17 -0.281 -3.484 -8.198
141 HG21 THR 17 HG21 THR 17 0.408 -3.389 -4.937
142 HG22 THR 17 HG22 THR 17 -0.691 -2.016 -4.849
143 HG23 THR 17 HG23 THR 17 1.072 -1.755 -4.867
144 H THR 18 H THR 18 -2.482 -1.769 -8.020
145 HA THR 18 HA THR 18 -4.015 -0.190 -6.090
146 HB THR 18 HB THR 18 -5.719 0.134 -8.047
147 HG1 THR 18 HG1 THR 18 -4.424 -1.206 -9.458
148 HG21 THR 18 HG21 THR 18 -3.104 1.664 -8.012
149 HG22 THR 18 HG22 THR 18 -4.549 1.989 -7.020
150 HG23 THR 18 HG23 THR 18 -4.628 2.238 -8.769
151 H THR 19 H THR 19 -5.795 -1.407 -5.319
152 HA THR 19 HA THR 19 -6.615 -3.798 -6.766
153 HB THR 19 HB THR 19 -4.572 -4.342 -5.317
154 HG1 THR 19 HG1 THR 19 -5.948 -5.892 -6.081
155 HG21 THR 19 HG21 THR 19 -4.844 -4.574 -2.914
156 HG22 THR 19 HG22 THR 19 -6.575 -4.149 -3.038
157 HG23 THR 19 HG23 THR 19 -5.347 -2.941 -3.370
158 H GLU 20 H GLU 20 -8.723 -4.637 -5.912
159 HA GLU 20 HA GLU 20 -10.257 -2.452 -4.585
160 HB2 GLU 20 HB2 GLU 20 -11.079 -4.882 -6.203
161 HB3 GLU 20 HB3 GLU 20 -12.218 -3.949 -5.206
162 HG2 GLU 20 HG2 GLU 20 -11.844 -1.937 -6.464
163 HG3 GLU 20 HG3 GLU 20 -10.488 -2.658 -7.356
164 H ALA 21 H ALA 21 -10.608 -2.657 -2.453
165 HA ALA 21 HA ALA 21 -10.294 -5.359 -1.215
166 HB1 ALA 21 HB1 ALA 21 -8.576 -3.407 -0.690
167 HB2 ALA 21 HB2 ALA 21 -9.892 -2.830 0.347
168 HB3 ALA 21 HB3 ALA 21 -9.223 -4.436 0.613
169 H VAL 22 H VAL 22 -11.650 -5.885 0.364
170 HA VAL 22 HA VAL 22 -14.366 -5.027 0.248
171 HB VAL 22 HB VAL 22 -14.642 -6.629 2.164
172 HG11 VAL 22 HG11 VAL 22 -14.862 -7.349 -0.170
173 HG12 VAL 22 HG12 VAL 22 -13.110 -7.613 -0.290
174 HG13 VAL 22 HG13 VAL 22 -14.082 -8.614 0.785
175 HG21 VAL 22 HG21 VAL 22 -12.381 -6.429 3.226
176 HG22 VAL 22 HG22 VAL 22 -12.785 -8.092 2.805
177 HG23 VAL 22 HG23 VAL 22 -11.663 -7.192 1.792
178 H ASP 23 H ASP 23 -11.723 -4.262 2.513
179 HA ASP 23 HA ASP 23 -13.097 -1.958 3.541
180 HB2 ASP 23 HB2 ASP 23 -12.853 -2.618 5.888
181 HB3 ASP 23 HB3 ASP 23 -14.042 -3.607 5.051
182 H ALA 24 H ALA 24 -11.482 -0.759 4.953
183 HA ALA 24 HA ALA 24 -8.993 -0.578 3.623
184 HB1 ALA 24 HB1 ALA 24 -8.418 1.041 5.370
185 HB2 ALA 24 HB2 ALA 24 -10.055 1.321 4.756
186 HB3 ALA 24 HB3 ALA 24 -9.813 0.517 6.332
187 H ALA 25 H ALA 25 -9.930 -2.512 6.475
188 HA ALA 25 HA ALA 25 -7.224 -2.816 7.426
189 HB1 ALA 25 HB1 ALA 25 -9.799 -4.320 7.969
190 HB2 ALA 25 HB2 ALA 25 -8.226 -4.838 8.597
191 HB3 ALA 25 HB3 ALA 25 -8.893 -3.241 9.023
192 H THR 26 H THR 26 -9.355 -4.684 5.207
193 HA THR 26 HA THR 26 -7.312 -6.663 4.621
194 HB THR 26 HB THR 26 -9.886 -5.936 3.208
195 HG1 THR 26 HG1 THR 26 -10.015 -7.010 5.290
196 HG21 THR 26 HG21 THR 26 -7.934 -8.222 2.666
197 HG22 THR 26 HG22 THR 26 -8.439 -6.958 1.522
198 HG23 THR 26 HG23 THR 26 -9.596 -8.176 2.071
199 H ALA 27 H ALA 27 -8.232 -3.499 3.261
200 HA ALA 27 HA ALA 27 -6.658 -3.692 0.954
201 HB1 ALA 27 HB1 ALA 27 -6.790 -1.230 0.910
202 HB2 ALA 27 HB2 ALA 27 -8.312 -1.808 1.591
203 HB3 ALA 27 HB3 ALA 27 -7.048 -1.159 2.647
204 H GLU 28 H GLU 28 -5.854 -2.464 4.165
205 HA GLU 28 HA GLU 28 -3.109 -1.966 3.789
206 HB2 GLU 28 HB2 GLU 28 -4.439 -0.986 5.546
207 HB3 GLU 28 HB3 GLU 28 -4.902 -2.566 6.176
208 HG2 GLU 28 HG2 GLU 28 -2.655 -2.999 6.941
209 HG3 GLU 28 HG3 GLU 28 -2.075 -1.479 6.235
210 H LYS 29 H LYS 29 -4.808 -4.953 4.892
211 HA LYS 29 HA LYS 29 -2.424 -6.411 5.513
212 HB2 LYS 29 HB2 LYS 29 -5.248 -7.258 4.714
213 HB3 LYS 29 HB3 LYS 29 -3.981 -8.451 4.965
214 HG2 LYS 29 HG2 LYS 29 -3.605 -7.735 7.224
215 HG3 LYS 29 HG3 LYS 29 -4.767 -6.426 7.094
216 HD2 LYS 29 HD2 LYS 29 -5.450 -9.396 6.865
217 HD3 LYS 29 HD3 LYS 29 -5.608 -8.400 8.324
218 HE2 LYS 29 HE2 LYS 29 -7.115 -6.852 6.959
219 HE3 LYS 29 HE3 LYS 29 -7.155 -8.135 5.726
220 HZ1 LYS 29 HZ1 LYS 29 -8.306 -9.529 7.178
221 HZ2 LYS 29 HZ2 LYS 29 -9.017 -8.083 7.324
222 HZ3 LYS 29 HZ3 LYS 29 -8.008 -8.556 8.510
223 H VAL 30 H VAL 30 -4.377 -6.238 2.510
224 HA VAL 30 HA VAL 30 -2.788 -8.085 1.031
225 HB VAL 30 HB VAL 30 -4.699 -5.846 0.314
226 HG11 VAL 30 HG11 VAL 30 -3.296 -7.706 -1.630
227 HG12 VAL 30 HG12 VAL 30 -4.783 -6.804 -2.009
228 HG13 VAL 30 HG13 VAL 30 -3.294 -5.935 -1.634
229 HG21 VAL 30 HG21 VAL 30 -5.672 -7.836 1.373
230 HG22 VAL 30 HG22 VAL 30 -6.122 -7.833 -0.334
231 HG23 VAL 30 HG23 VAL 30 -4.811 -8.886 0.246
232 H PHE 31 H PHE 31 -2.764 -4.449 1.063
233 HA PHE 31 HA PHE 31 -0.469 -4.321 -0.588
234 HB2 PHE 31 HB2 PHE 31 -1.629 -2.409 1.457
235 HB3 PHE 31 HB3 PHE 31 -0.254 -2.020 0.443
236 HD1 PHE 31 HD1 PHE 31 -1.436 -3.552 -2.175
237 HD2 PHE 31 HD2 PHE 31 -2.870 -0.589 0.600
238 HE1 PHE 31 HE1 PHE 31 -2.765 -2.576 -3.950
239 HE2 PHE 31 HE2 PHE 31 -4.131 0.495 -1.257
240 HZ PHE 31 HZ PHE 31 -4.107 -0.528 -3.535
241 H LYS 32 H LYS 32 -0.645 -4.615 2.988
242 HA LYS 32 HA LYS 32 2.172 -4.270 3.410
243 HB2 LYS 32 HB2 LYS 32 -0.018 -5.684 4.953
244 HB3 LYS 32 HB3 LYS 32 1.634 -6.149 5.263
245 HG2 LYS 32 HG2 LYS 32 1.831 -3.374 5.318
246 HG3 LYS 32 HG3 LYS 32 0.243 -3.654 6.023
247 HD2 LYS 32 HD2 LYS 32 1.197 -5.121 7.712
248 HD3 LYS 32 HD3 LYS 32 2.777 -5.131 6.909
249 HE2 LYS 32 HE2 LYS 32 1.953 -2.391 7.399
250 HE3 LYS 32 HE3 LYS 32 1.858 -3.310 8.914
251 HZ1 LYS 32 HZ1 LYS 32 4.005 -2.282 8.537
252 HZ2 LYS 32 HZ2 LYS 32 4.220 -3.105 7.133
253 HZ3 LYS 32 HZ3 LYS 32 4.221 -3.901 8.549
254 H GLN 33 H GLN 33 0.293 -7.206 2.645
255 HA GLN 33 HA GLN 33 2.451 -8.992 2.687
256 HB2 GLN 33 HB2 GLN 33 0.197 -9.813 2.775
257 HB3 GLN 33 HB3 GLN 33 -0.272 -8.933 1.333
258 HG2 GLN 33 HG2 GLN 33 -0.133 -11.174 0.669
259 HG3 GLN 33 HG3 GLN 33 1.287 -10.373 -0.014
260 HE21 GLN 33 HE21 GLN 33 3.367 -10.744 0.975
261 HE22 GLN 33 HE22 GLN 33 3.612 -12.298 1.779
262 H TYR 34 H TYR 34 1.084 -6.905 0.108
263 HA TYR 34 HA TYR 34 2.770 -7.947 -1.957
264 HB2 TYR 34 HB2 TYR 34 0.561 -6.646 -2.115
265 HB3 TYR 34 HB3 TYR 34 1.515 -5.185 -1.870
266 HD1 TYR 34 HD1 TYR 34 1.190 -8.234 -4.019
267 HD2 TYR 34 HD2 TYR 34 2.643 -4.181 -3.737
268 HE1 TYR 34 HE1 TYR 34 1.698 -8.258 -6.441
269 HE2 TYR 34 HE2 TYR 34 3.012 -4.151 -6.167
270 HH TYR 34 HH TYR 34 3.047 -7.067 -8.055
271 H ALA 35 H ALA 35 3.069 -5.004 0.100
272 HA ALA 35 HA ALA 35 5.449 -4.035 -1.111
273 HB1 ALA 35 HB1 ALA 35 4.053 -2.679 0.375
274 HB2 ALA 35 HB2 ALA 35 4.432 -3.775 1.735
275 HB3 ALA 35 HB3 ALA 35 5.698 -2.763 1.028
276 H ASN 36 H ASN 36 4.951 -6.202 1.738
277 HA ASN 36 HA ASN 36 7.734 -6.478 2.271
278 HB2 ASN 36 HB2 ASN 36 6.963 -7.502 4.078
279 HB3 ASN 36 HB3 ASN 36 5.334 -7.535 3.422
280 HD21 ASN 36 HD21 ASN 36 4.772 -9.360 2.008
281 HD22 ASN 36 HD22 ASN 36 5.659 -10.841 2.086
282 H ASP 37 H ASP 37 5.571 -8.114 -0.025
283 HA ASP 37 HA ASP 37 7.346 -10.264 -0.659
284 HB2 ASP 37 HB2 ASP 37 4.876 -10.056 -1.325
285 HB3 ASP 37 HB3 ASP 37 5.406 -9.001 -2.633
286 H ASN 38 H ASN 38 7.221 -6.880 -1.665
287 HA ASN 38 HA ASN 38 9.395 -7.216 -3.650
288 HB2 ASN 38 HB2 ASN 38 7.881 -4.760 -2.643
289 HB3 ASN 38 HB3 ASN 38 9.185 -4.737 -3.822
290 HD21 ASN 38 HD21 ASN 38 5.848 -5.906 -3.277
291 HD22 ASN 38 HD22 ASN 38 5.457 -5.878 -4.962
292 H GLY 39 H GLY 39 9.189 -6.952 -0.281
293 HA2 GLY 39 HA2 GLY 39 10.825 -6.815 1.288
294 HA3 GLY 39 HA3 GLY 39 12.019 -6.387 0.051
295 H VAL 40 H VAL 40 8.949 -4.598 0.539
296 HA VAL 40 HA VAL 40 10.501 -2.235 1.446
297 HB VAL 40 HB VAL 40 7.723 -2.397 0.259
298 HG11 VAL 40 HG11 VAL 40 8.125 -0.361 1.562
299 HG12 VAL 40 HG12 VAL 40 9.633 -0.057 0.660
300 HG13 VAL 40 HG13 VAL 40 8.064 0.037 -0.164
301 HG21 VAL 40 HG21 VAL 40 10.332 -1.827 -1.192
302 HG22 VAL 40 HG22 VAL 40 9.210 -3.185 -1.467
303 HG23 VAL 40 HG23 VAL 40 8.708 -1.543 -1.863
304 H ASP 41 H ASP 41 10.278 -1.784 3.561
305 HA ASP 41 HA ASP 41 7.696 -2.130 4.901
306 HB2 ASP 41 HB2 ASP 41 8.687 -4.225 5.403
307 HB3 ASP 41 HB3 ASP 41 10.245 -3.492 5.774
308 H GLY 42 H GLY 42 7.427 -0.059 5.304
309 HA2 GLY 42 HA2 GLY 42 9.488 1.428 6.875
310 HA3 GLY 42 HA3 GLY 42 8.785 2.109 5.393
311 H GLU 43 H GLU 43 7.989 3.849 6.381
312 HA GLU 43 HA GLU 43 5.977 3.524 8.494
313 HB2 GLU 43 HB2 GLU 43 7.484 5.462 8.650
314 HB3 GLU 43 HB3 GLU 43 6.925 6.051 7.071
315 HG2 GLU 43 HG2 GLU 43 4.618 6.251 7.897
316 HG3 GLU 43 HG3 GLU 43 5.041 5.437 9.397
317 H TRP 44 H TRP 44 3.966 2.927 7.888
318 HA TRP 44 HA TRP 44 3.102 3.377 5.118
319 HB2 TRP 44 HB2 TRP 44 1.812 1.949 7.477
320 HB3 TRP 44 HB3 TRP 44 1.104 2.136 5.863
321 HD1 TRP 44 HD1 TRP 44 4.363 0.648 7.374
322 HE1 TRP 44 HE1 TRP 44 5.131 -1.326 5.909
323 HE3 TRP 44 HE3 TRP 44 0.775 0.899 3.768
324 HZ2 TRP 44 HZ2 TRP 44 4.244 -2.676 3.605
325 HZ3 TRP 44 HZ3 TRP 44 0.707 -0.857 1.975
326 HH2 TRP 44 HH2 TRP 44 2.423 -2.588 1.859
327 H THR 45 H THR 45 1.776 4.979 4.551
328 HA THR 45 HA THR 45 0.396 6.601 6.639
329 HB THR 45 HB THR 45 0.800 8.543 5.350
330 HG1 THR 45 HG1 THR 45 1.400 8.550 3.358
331 HG21 THR 45 HG21 THR 45 2.802 7.702 6.683
332 HG22 THR 45 HG22 THR 45 3.184 8.778 5.313
333 HG23 THR 45 HG23 THR 45 3.444 7.030 5.175
334 H TYR 46 H TYR 46 -1.559 7.935 5.446
335 HA TYR 46 HA TYR 46 -2.870 6.282 3.432
336 HB2 TYR 46 HB2 TYR 46 -3.524 5.172 5.519
337 HB3 TYR 46 HB3 TYR 46 -3.959 6.712 6.241
338 HD1 TYR 46 HD1 TYR 46 -4.754 4.802 3.120
339 HD2 TYR 46 HD2 TYR 46 -6.265 7.179 6.378
340 HE1 TYR 46 HE1 TYR 46 -7.058 4.482 2.271
341 HE2 TYR 46 HE2 TYR 46 -8.567 6.765 5.628
342 HH TYR 46 HH TYR 46 -9.897 6.009 3.903
343 H ASP 47 H ASP 47 -4.034 7.491 2.157
344 HA ASP 47 HA ASP 47 -4.825 10.284 2.787
345 HB2 ASP 47 HB2 ASP 47 -3.840 9.089 0.154
346 HB3 ASP 47 HB3 ASP 47 -4.555 10.692 0.345
347 H ASP 48 H ASP 48 -6.774 9.505 3.544
348 HA ASP 48 HA ASP 48 -8.500 7.632 2.379
349 HB2 ASP 48 HB2 ASP 48 -8.690 8.850 4.630
350 HB3 ASP 48 HB3 ASP 48 -9.368 10.207 3.760
351 H ALA 49 H ALA 49 -8.129 11.027 1.762
352 HA ALA 49 HA ALA 49 -10.274 11.681 0.137
353 HB1 ALA 49 HB1 ALA 49 -8.605 13.320 0.848
354 HB2 ALA 49 HB2 ALA 49 -7.370 12.536 -0.183
355 HB3 ALA 49 HB3 ALA 49 -8.758 13.366 -0.921
356 H THR 50 H THR 50 -7.485 9.778 -0.800
357 HA THR 50 HA THR 50 -8.663 9.353 -3.502
358 HB THR 50 HB THR 50 -6.850 10.933 -3.715
359 HG1 THR 50 HG1 THR 50 -6.345 8.314 -4.516
360 HG21 THR 50 HG21 THR 50 -5.243 8.997 -2.025
361 HG22 THR 50 HG22 THR 50 -5.560 10.716 -1.748
362 HG23 THR 50 HG23 THR 50 -4.485 10.224 -3.058
363 H LYS 51 H LYS 51 -8.440 7.863 -0.713
364 HA LYS 51 HA LYS 51 -7.983 5.776 0.096
365 HB2 LYS 51 HB2 LYS 51 -9.106 5.034 -2.635
366 HB3 LYS 51 HB3 LYS 51 -8.937 3.947 -1.250
367 HG2 LYS 51 HG2 LYS 51 -10.376 5.549 0.094
368 HG3 LYS 51 HG3 LYS 51 -10.652 6.468 -1.390
369 HD2 LYS 51 HD2 LYS 51 -12.520 5.003 -1.030
370 HD3 LYS 51 HD3 LYS 51 -11.646 4.449 -2.458
371 HE2 LYS 51 HE2 LYS 51 -10.842 2.534 -1.401
372 HE3 LYS 51 HE3 LYS 51 -10.904 3.262 0.213
373 HZ1 LYS 51 HZ1 LYS 51 -12.635 1.561 -0.281
374 HZ2 LYS 51 HZ2 LYS 51 -13.360 2.679 -1.278
375 HZ3 LYS 51 HZ3 LYS 51 -13.170 2.978 0.342
376 H THR 52 H THR 52 -5.670 6.744 -0.281
377 HA THR 52 HA THR 52 -4.144 4.652 -1.745
378 HB THR 52 HB THR 52 -3.571 7.636 -1.653
379 HG1 THR 52 HG1 THR 52 -5.287 6.666 -3.113
380 HG21 THR 52 HG21 THR 52 -1.828 7.084 -3.361
381 HG22 THR 52 HG22 THR 52 -2.061 5.358 -2.967
382 HG23 THR 52 HG23 THR 52 -1.463 6.489 -1.741
383 H PHE 53 H PHE 53 -2.307 3.945 -0.708
384 HA PHE 53 HA PHE 53 -1.637 5.076 1.969
385 HB2 PHE 53 HB2 PHE 53 -1.269 2.193 1.041
386 HB3 PHE 53 HB3 PHE 53 -0.771 2.853 2.576
387 HD1 PHE 53 HD2 PHE 53 -2.459 3.262 4.410
388 HD2 PHE 53 HD1 PHE 53 -3.456 1.484 0.641
389 HE1 PHE 53 HE2 PHE 53 -4.489 2.277 5.432
390 HE2 PHE 53 HE1 PHE 53 -5.484 0.439 1.663
391 HZ PHE 53 HZ PHE 53 -6.006 0.847 4.076
392 H THR 54 H THR 54 0.694 5.184 2.297
393 HA THR 54 HA THR 54 2.349 4.532 -0.067
394 HB THR 54 HB THR 54 2.493 7.111 1.545
395 HG1 THR 54 HG1 THR 54 0.720 7.259 0.280
396 HG21 THR 54 HG21 THR 54 4.649 6.476 0.680
397 HG22 THR 54 HG22 THR 54 4.000 7.828 -0.281
398 HG23 THR 54 HG23 THR 54 3.995 6.179 -0.928
399 H VAL 55 H VAL 55 4.328 3.617 0.560
400 HA VAL 55 HA VAL 55 4.795 3.455 3.505
401 HB VAL 55 HB VAL 55 4.032 1.337 2.849
402 HG11 VAL 55 HG11 VAL 55 4.436 1.371 0.423
403 HG12 VAL 55 HG12 VAL 55 6.178 1.183 0.719
404 HG13 VAL 55 HG13 VAL 55 5.051 -0.100 1.200
405 HG21 VAL 55 HG21 VAL 55 5.900 1.462 4.446
406 HG22 VAL 55 HG22 VAL 55 5.972 -0.049 3.490
407 HG23 VAL 55 HG23 VAL 55 7.071 1.292 3.121
408 H THR 56 H THR 56 6.389 4.798 3.963
409 HA THR 56 HA THR 56 8.483 5.270 1.897
410 HB THR 56 HB THR 56 8.618 6.773 4.456
411 HG1 THR 56 HG1 THR 56 6.719 7.520 2.484
412 HG21 THR 56 HG21 THR 56 10.173 7.002 2.492
413 HG22 THR 56 HG22 THR 56 9.383 8.518 2.975
414 HG23 THR 56 HG23 THR 56 8.816 7.632 1.536
415 H GLU 57 H GLU 57 9.995 3.579 2.110
416 HA GLU 57 HA GLU 57 10.414 1.981 4.415
417 HB2 GLU 57 HB2 GLU 57 10.920 1.426 2.009
418 HB3 GLU 57 HB3 GLU 57 12.410 2.360 2.213
419 HG2 GLU 57 HG2 GLU 57 12.797 0.854 4.293
420 HG3 GLU 57 HG3 GLU 57 11.447 -0.114 3.634
Start of MODEL 15
1 H1 MET 1 H MET 1 -16.880 0.021 0.808
2 HA MET 1 HA MET 1 -14.595 -1.711 0.108
3 HB2 MET 1 HB2 MET 1 -16.836 -2.797 -0.182
4 HB3 MET 1 HB3 MET 1 -17.249 -1.575 -1.395
5 HG2 MET 1 HG2 MET 1 -15.783 -2.510 -2.954
6 HG3 MET 1 HG3 MET 1 -14.667 -3.038 -1.712
7 HE1 MET 1 HE1 MET 1 -14.952 -6.437 -3.035
8 HE2 MET 1 HE2 MET 1 -14.605 -4.862 -3.784
9 HE3 MET 1 HE3 MET 1 -13.965 -5.248 -2.172
10 H GLY 2 H GLY 2 -14.039 -1.281 -2.405
11 HA2 GLY 2 HA2 GLY 2 -14.407 0.649 -4.079
12 HA3 GLY 2 HA3 GLY 2 -13.773 1.624 -2.747
13 H THR 3 H THR 3 -12.338 1.840 -4.887
14 HA THR 3 HA THR 3 -10.281 -0.201 -5.164
15 HB THR 3 HB THR 3 -10.461 2.541 -6.467
16 HG1 THR 3 HG1 THR 3 -11.445 1.259 -8.176
17 HG21 THR 3 HG21 THR 3 -9.162 -0.078 -7.358
18 HG22 THR 3 HG22 THR 3 -8.294 1.357 -6.777
19 HG23 THR 3 HG23 THR 3 -9.198 1.436 -8.290
20 H TYR 4 H TYR 4 -8.333 -0.190 -4.186
21 HA TYR 4 HA TYR 4 -7.462 2.253 -2.770
22 HB2 TYR 4 HB2 TYR 4 -7.003 -0.706 -2.248
23 HB3 TYR 4 HB3 TYR 4 -6.117 0.575 -1.446
24 HD1 TYR 4 HD1 TYR 4 -7.220 2.231 0.017
25 HD2 TYR 4 HD2 TYR 4 -9.298 -1.214 -1.542
26 HE1 TYR 4 HE1 TYR 4 -8.907 2.442 1.819
27 HE2 TYR 4 HE2 TYR 4 -10.998 -0.990 0.244
28 HH TYR 4 HH TYR 4 -10.909 1.523 2.762
29 H LYS 5 H LYS 5 -5.186 2.727 -2.880
30 HA LYS 5 HA LYS 5 -3.646 1.415 -5.077
31 HB2 LYS 5 HB2 LYS 5 -4.574 3.681 -5.773
32 HB3 LYS 5 HB3 LYS 5 -3.698 4.383 -4.415
33 HG2 LYS 5 HG2 LYS 5 -1.556 3.288 -5.515
34 HG3 LYS 5 HG3 LYS 5 -2.557 3.129 -6.938
35 HD2 LYS 5 HD2 LYS 5 -1.709 5.649 -5.473
36 HD3 LYS 5 HD3 LYS 5 -1.183 5.117 -7.060
37 HE2 LYS 5 HE2 LYS 5 -3.934 6.122 -6.256
38 HE3 LYS 5 HE3 LYS 5 -2.749 6.939 -7.268
39 HZ1 LYS 5 HZ1 LYS 5 -3.033 5.082 -8.872
40 HZ2 LYS 5 HZ2 LYS 5 -4.384 6.013 -8.633
41 HZ3 LYS 5 HZ3 LYS 5 -4.299 4.541 -7.947
42 H LEU 6 H LEU 6 -1.475 1.183 -4.633
43 HA LEU 6 HA LEU 6 -0.538 1.978 -1.889
44 HB2 LEU 6 HB2 LEU 6 -0.738 -0.417 -1.977
45 HB3 LEU 6 HB3 LEU 6 0.049 -0.465 -3.536
46 HG LEU 6 HG LEU 6 2.196 0.296 -2.439
47 HD11 LEU 6 HD11 LEU 6 2.286 0.100 0.086
48 HD12 LEU 6 HD12 LEU 6 0.508 0.094 0.093
49 HD13 LEU 6 HD13 LEU 6 1.404 1.502 -0.493
50 HD21 LEU 6 HD21 LEU 6 1.929 -2.012 -2.848
51 HD22 LEU 6 HD22 LEU 6 0.875 -2.245 -1.447
52 HD23 LEU 6 HD23 LEU 6 2.589 -1.859 -1.216
53 H ILE 7 H ILE 7 1.343 2.969 -1.851
54 HA ILE 7 HA ILE 7 2.918 3.339 -4.370
55 HB ILE 7 HB ILE 7 2.388 5.419 -2.231
56 HG12 ILE 7 HG12 ILE 7 1.312 5.202 -5.059
57 HG13 ILE 7 HG13 ILE 7 0.391 5.108 -3.569
58 HG21 ILE 7 HG21 ILE 7 3.709 6.939 -3.634
59 HG22 ILE 7 HG22 ILE 7 4.683 5.523 -3.316
60 HG23 ILE 7 HG23 ILE 7 3.877 5.692 -4.890
61 HD11 ILE 7 HD11 ILE 7 0.082 7.286 -4.588
62 HD12 ILE 7 HD12 ILE 7 0.946 7.459 -3.039
63 HD13 ILE 7 HD13 ILE 7 1.810 7.597 -4.597
64 H LEU 8 H LEU 8 4.728 2.223 -4.124
65 HA LEU 8 HA LEU 8 5.843 1.652 -1.444
66 HB2 LEU 8 HB2 LEU 8 6.644 0.828 -4.250
67 HB3 LEU 8 HB3 LEU 8 7.543 0.372 -2.831
68 HG LEU 8 HG LEU 8 4.666 -0.297 -3.442
69 HD11 LEU 8 HD11 LEU 8 6.206 -1.442 -5.003
70 HD12 LEU 8 HD12 LEU 8 5.597 -2.638 -3.850
71 HD13 LEU 8 HD13 LEU 8 7.228 -1.978 -3.654
72 HD21 LEU 8 HD21 LEU 8 4.820 -0.410 -1.130
73 HD22 LEU 8 HD22 LEU 8 6.392 -1.258 -1.170
74 HD23 LEU 8 HD23 LEU 8 4.896 -2.062 -1.707
75 H ASN 9 H ASN 9 6.910 3.402 -0.682
76 HA ASN 9 HA ASN 9 8.706 4.957 -2.496
77 HB2 ASN 9 HB2 ASN 9 7.099 5.632 -0.042
78 HB3 ASN 9 HB3 ASN 9 8.719 6.298 -0.091
79 HD21 ASN 9 HD21 ASN 9 6.299 7.878 -0.122
80 HD22 ASN 9 HD22 ASN 9 6.390 8.721 -1.637
81 H GLY 10 H GLY 10 9.969 2.815 -2.399
82 HA2 GLY 10 HA2 GLY 10 11.239 2.345 0.204
83 HA3 GLY 10 HA3 GLY 10 11.327 1.293 -1.172
84 H LYS 11 H LYS 11 13.351 2.622 0.626
85 HA LYS 11 HA LYS 11 14.806 4.625 -0.773
86 HB2 LYS 11 HB2 LYS 11 15.660 2.513 1.254
87 HB3 LYS 11 HB3 LYS 11 16.671 3.887 0.765
88 HG2 LYS 11 HG2 LYS 11 15.073 5.494 1.575
89 HG3 LYS 11 HG3 LYS 11 13.864 4.252 1.896
90 HD2 LYS 11 HD2 LYS 11 16.509 4.546 3.308
91 HD3 LYS 11 HD3 LYS 11 14.907 5.017 3.916
92 HE2 LYS 11 HE2 LYS 11 14.278 2.513 3.528
93 HE3 LYS 11 HE3 LYS 11 16.028 2.234 3.513
94 HZ1 LYS 11 HZ1 LYS 11 14.346 3.311 5.672
95 HZ2 LYS 11 HZ2 LYS 11 16.020 3.373 5.733
96 HZ3 LYS 11 HZ3 LYS 11 15.191 1.952 5.733
97 H THR 12 H THR 12 14.514 1.235 -1.356
98 HA THR 12 HA THR 12 16.815 1.412 -3.267
99 HB THR 12 HB THR 12 17.329 -0.897 -2.850
100 HG1 THR 12 HG1 THR 12 14.973 -0.914 -1.415
101 HG21 THR 12 HG21 THR 12 18.334 0.955 -1.431
102 HG22 THR 12 HG22 THR 12 18.347 -0.657 -0.685
103 HG23 THR 12 HG23 THR 12 17.162 0.550 -0.168
104 H LEU 13 H LEU 13 13.446 0.223 -2.793
105 HA LEU 13 HA LEU 13 13.240 -0.028 -5.749
106 HB2 LEU 13 HB2 LEU 13 13.597 -2.226 -4.780
107 HB3 LEU 13 HB3 LEU 13 12.316 -1.984 -3.598
108 HG LEU 13 HG LEU 13 11.773 -1.960 -6.597
109 HD11 LEU 13 HD11 LEU 13 11.195 -4.335 -6.404
110 HD12 LEU 13 HD12 LEU 13 11.678 -4.336 -4.689
111 HD13 LEU 13 HD13 LEU 13 12.890 -4.086 -5.961
112 HD21 LEU 13 HD21 LEU 13 9.800 -1.177 -5.484
113 HD22 LEU 13 HD22 LEU 13 10.025 -2.284 -4.129
114 HD23 LEU 13 HD23 LEU 13 9.502 -2.875 -5.731
115 H LYS 14 H LYS 14 11.454 1.053 -6.541
116 HA LYS 14 HA LYS 14 9.299 1.725 -4.611
117 HB2 LYS 14 HB2 LYS 14 10.406 3.546 -6.794
118 HB3 LYS 14 HB3 LYS 14 8.928 3.823 -5.856
119 HG2 LYS 14 HG2 LYS 14 9.985 4.697 -4.150
120 HG3 LYS 14 HG3 LYS 14 11.051 3.310 -3.996
121 HD2 LYS 14 HD2 LYS 14 11.484 5.648 -5.881
122 HD3 LYS 14 HD3 LYS 14 12.231 5.473 -4.273
123 HE2 LYS 14 HE2 LYS 14 13.504 3.593 -4.895
124 HE3 LYS 14 HE3 LYS 14 12.583 3.335 -6.396
125 HZ1 LYS 14 HZ1 LYS 14 14.801 4.459 -6.661
126 HZ2 LYS 14 HZ2 LYS 14 14.157 5.781 -5.937
127 HZ3 LYS 14 HZ3 LYS 14 13.529 5.245 -7.342
128 H GLY 15 H GLY 15 7.193 2.064 -5.694
129 HA2 GLY 15 HA2 GLY 15 6.694 1.221 -8.367
130 HA3 GLY 15 HA3 GLY 15 6.543 -0.162 -7.285
131 H GLU 16 H GLU 16 4.260 0.354 -8.453
132 HA GLU 16 HA GLU 16 2.557 1.398 -6.327
133 HB2 GLU 16 HB2 GLU 16 2.576 2.501 -9.173
134 HB3 GLU 16 HB3 GLU 16 1.106 2.447 -8.194
135 HG2 GLU 16 HG2 GLU 16 2.418 3.752 -6.420
136 HG3 GLU 16 HG3 GLU 16 3.599 4.078 -7.696
137 H THR 17 H THR 17 0.484 0.432 -6.385
138 HA THR 17 HA THR 17 -0.310 -1.285 -8.582
139 HB THR 17 HB THR 17 1.178 -2.747 -7.233
140 HG1 THR 17 HG1 THR 17 -0.361 -3.979 -8.152
141 HG21 THR 17 HG21 THR 17 -0.870 -2.419 -5.003
142 HG22 THR 17 HG22 THR 17 0.796 -1.828 -4.978
143 HG23 THR 17 HG23 THR 17 0.486 -3.563 -5.025
144 H THR 18 H THR 18 -2.620 -2.083 -8.110
145 HA THR 18 HA THR 18 -4.077 -0.397 -6.209
146 HB THR 18 HB THR 18 -5.785 -0.128 -8.168
147 HG1 THR 18 HG1 THR 18 -4.933 -1.390 -9.751
148 HG21 THR 18 HG21 THR 18 -4.705 1.888 -9.005
149 HG22 THR 18 HG22 THR 18 -3.131 1.342 -8.369
150 HG23 THR 18 HG23 THR 18 -4.466 1.733 -7.255
151 H THR 19 H THR 19 -5.978 -1.469 -5.424
152 HA THR 19 HA THR 19 -6.744 -4.000 -6.581
153 HB THR 19 HB THR 19 -4.733 -4.445 -5.055
154 HG1 THR 19 HG1 THR 19 -5.643 -6.292 -4.251
155 HG21 THR 19 HG21 THR 19 -5.563 -2.911 -3.193
156 HG22 THR 19 HG22 THR 19 -4.977 -4.501 -2.692
157 HG23 THR 19 HG23 THR 19 -6.724 -4.178 -2.779
158 H GLU 20 H GLU 20 -8.930 -4.616 -5.760
159 HA GLU 20 HA GLU 20 -10.357 -2.306 -4.508
160 HB2 GLU 20 HB2 GLU 20 -11.195 -4.591 -6.304
161 HB3 GLU 20 HB3 GLU 20 -12.383 -3.686 -5.345
162 HG2 GLU 20 HG2 GLU 20 -11.903 -1.631 -6.417
163 HG3 GLU 20 HG3 GLU 20 -10.418 -2.246 -7.152
164 H ALA 21 H ALA 21 -10.604 -2.554 -2.345
165 HA ALA 21 HA ALA 21 -10.840 -5.337 -1.274
166 HB1 ALA 21 HB1 ALA 21 -8.654 -4.249 -0.742
167 HB2 ALA 21 HB2 ALA 21 -9.540 -2.951 0.075
168 HB3 ALA 21 HB3 ALA 21 -9.637 -4.601 0.701
169 H VAL 22 H VAL 22 -12.129 -5.575 0.579
170 HA VAL 22 HA VAL 22 -14.609 -4.163 0.429
171 HB VAL 22 HB VAL 22 -15.254 -5.511 2.403
172 HG11 VAL 22 HG11 VAL 22 -15.109 -7.707 1.282
173 HG12 VAL 22 HG12 VAL 22 -15.599 -6.401 0.202
174 HG13 VAL 22 HG13 VAL 22 -13.946 -7.022 0.115
175 HG21 VAL 22 HG21 VAL 22 -13.157 -5.654 3.648
176 HG22 VAL 22 HG22 VAL 22 -13.745 -7.261 3.263
177 HG23 VAL 22 HG23 VAL 22 -12.396 -6.569 2.331
178 H ASP 23 H ASP 23 -11.808 -3.817 2.688
179 HA ASP 23 HA ASP 23 -12.875 -1.243 3.579
180 HB2 ASP 23 HB2 ASP 23 -12.247 -3.552 5.491
181 HB3 ASP 23 HB3 ASP 23 -12.546 -1.882 5.977
182 H ALA 24 H ALA 24 -11.165 -0.174 4.924
183 HA ALA 24 HA ALA 24 -8.651 -0.274 3.685
184 HB1 ALA 24 HB1 ALA 24 -9.485 0.902 6.365
185 HB2 ALA 24 HB2 ALA 24 -7.964 1.264 5.520
186 HB3 ALA 24 HB3 ALA 24 -9.511 1.729 4.790
187 H ALA 25 H ALA 25 -9.846 -2.037 6.542
188 HA ALA 25 HA ALA 25 -7.309 -2.756 7.582
189 HB1 ALA 25 HB1 ALA 25 -9.356 -3.029 8.874
190 HB2 ALA 25 HB2 ALA 25 -9.976 -4.242 7.721
191 HB3 ALA 25 HB3 ALA 25 -8.539 -4.595 8.711
192 H THR 26 H THR 26 -9.442 -4.394 5.184
193 HA THR 26 HA THR 26 -7.718 -6.643 4.750
194 HB THR 26 HB THR 26 -9.743 -5.369 2.872
195 HG1 THR 26 HG1 THR 26 -11.055 -7.155 3.991
196 HG21 THR 26 HG21 THR 26 -8.921 -8.265 3.181
197 HG22 THR 26 HG22 THR 26 -8.371 -7.199 1.879
198 HG23 THR 26 HG23 THR 26 -10.080 -7.621 2.004
199 H ALA 27 H ALA 27 -8.189 -3.457 3.165
200 HA ALA 27 HA ALA 27 -6.467 -3.811 1.025
201 HB1 ALA 27 HB1 ALA 27 -6.439 -1.360 0.891
202 HB2 ALA 27 HB2 ALA 27 -8.053 -1.871 1.413
203 HB3 ALA 27 HB3 ALA 27 -6.901 -1.217 2.589
204 H GLU 28 H GLU 28 -5.745 -2.556 4.282
205 HA GLU 28 HA GLU 28 -3.044 -1.968 4.000
206 HB2 GLU 28 HB2 GLU 28 -4.509 -1.342 5.925
207 HB3 GLU 28 HB3 GLU 28 -4.505 -3.033 6.442
208 HG2 GLU 28 HG2 GLU 28 -1.897 -2.776 6.538
209 HG3 GLU 28 HG3 GLU 28 -2.213 -1.043 6.437
210 H LYS 29 H LYS 29 -4.560 -5.101 4.894
211 HA LYS 29 HA LYS 29 -2.022 -6.464 5.373
212 HB2 LYS 29 HB2 LYS 29 -4.750 -7.580 4.516
213 HB3 LYS 29 HB3 LYS 29 -3.418 -8.537 5.153
214 HG2 LYS 29 HG2 LYS 29 -3.664 -7.677 7.342
215 HG3 LYS 29 HG3 LYS 29 -4.647 -6.308 6.806
216 HD2 LYS 29 HD2 LYS 29 -6.384 -8.007 6.005
217 HD3 LYS 29 HD3 LYS 29 -5.486 -9.233 6.898
218 HE2 LYS 29 HE2 LYS 29 -6.652 -6.650 8.036
219 HE3 LYS 29 HE3 LYS 29 -7.430 -8.238 8.123
220 HZ1 LYS 29 HZ1 LYS 29 -6.334 -7.951 10.163
221 HZ2 LYS 29 HZ2 LYS 29 -4.931 -7.417 9.462
222 HZ3 LYS 29 HZ3 LYS 29 -5.364 -8.978 9.325
223 H VAL 30 H VAL 30 -4.295 -6.456 2.544
224 HA VAL 30 HA VAL 30 -2.735 -8.132 0.925
225 HB VAL 30 HB VAL 30 -4.700 -5.908 0.292
226 HG11 VAL 30 HG11 VAL 30 -3.350 -7.723 -1.757
227 HG12 VAL 30 HG12 VAL 30 -4.804 -6.755 -2.046
228 HG13 VAL 30 HG13 VAL 30 -3.265 -5.949 -1.703
229 HG21 VAL 30 HG21 VAL 30 -5.461 -8.044 1.321
230 HG22 VAL 30 HG22 VAL 30 -6.074 -7.884 -0.338
231 HG23 VAL 30 HG23 VAL 30 -4.671 -8.936 0.008
232 H PHE 31 H PHE 31 -2.629 -4.562 1.089
233 HA PHE 31 HA PHE 31 -0.352 -4.360 -0.621
234 HB2 PHE 31 HB2 PHE 31 -1.596 -2.547 1.453
235 HB3 PHE 31 HB3 PHE 31 -0.206 -2.073 0.494
236 HD1 PHE 31 HD1 PHE 31 -1.543 -3.738 -2.111
237 HD2 PHE 31 HD2 PHE 31 -2.698 -0.526 0.564
238 HE1 PHE 31 HE1 PHE 31 -2.880 -2.757 -3.886
239 HE2 PHE 31 HE2 PHE 31 -3.970 0.501 -1.308
240 HZ PHE 31 HZ PHE 31 -4.079 -0.628 -3.526
241 H LYS 32 H LYS 32 -0.506 -4.732 2.986
242 HA LYS 32 HA LYS 32 2.283 -4.339 3.425
243 HB2 LYS 32 HB2 LYS 32 0.050 -5.687 4.880
244 HB3 LYS 32 HB3 LYS 32 1.630 -6.341 5.203
245 HG2 LYS 32 HG2 LYS 32 1.742 -3.412 5.205
246 HG3 LYS 32 HG3 LYS 32 0.511 -3.997 6.344
247 HD2 LYS 32 HD2 LYS 32 2.189 -5.393 7.464
248 HD3 LYS 32 HD3 LYS 32 3.324 -5.076 6.154
249 HE2 LYS 32 HE2 LYS 32 3.075 -2.554 6.847
250 HE3 LYS 32 HE3 LYS 32 2.360 -3.175 8.335
251 HZ1 LYS 32 HZ1 LYS 32 4.497 -4.418 8.650
252 HZ2 LYS 32 HZ2 LYS 32 4.673 -2.796 8.704
253 HZ3 LYS 32 HZ3 LYS 32 5.152 -3.574 7.391
254 H GLN 33 H GLN 33 0.512 -7.327 2.539
255 HA GLN 33 HA GLN 33 2.766 -8.969 2.521
256 HB2 GLN 33 HB2 GLN 33 0.196 -9.517 2.359
257 HB3 GLN 33 HB3 GLN 33 0.387 -9.202 0.635
258 HG2 GLN 33 HG2 GLN 33 0.660 -11.531 0.854
259 HG3 GLN 33 HG3 GLN 33 2.304 -10.905 0.666
260 HE21 GLN 33 HE21 GLN 33 3.760 -11.097 2.497
261 HE22 GLN 33 HE22 GLN 33 3.300 -12.059 3.904
262 H TYR 34 H TYR 34 1.244 -6.992 -0.006
263 HA TYR 34 HA TYR 34 3.008 -7.830 -2.129
264 HB2 TYR 34 HB2 TYR 34 0.828 -6.724 -2.487
265 HB3 TYR 34 HB3 TYR 34 1.485 -5.221 -1.844
266 HD1 TYR 34 HD2 TYR 34 3.203 -3.947 -3.086
267 HD2 TYR 34 HD1 TYR 34 1.482 -7.542 -4.732
268 HE1 TYR 34 HE2 TYR 34 4.077 -3.355 -5.308
269 HE2 TYR 34 HE1 TYR 34 2.295 -6.908 -6.990
270 HH TYR 34 HH TYR 34 3.937 -5.338 -8.150
271 H ALA 35 H ALA 35 3.247 -5.129 0.175
272 HA ALA 35 HA ALA 35 5.641 -4.036 -1.025
273 HB1 ALA 35 HB1 ALA 35 5.824 -2.737 1.046
274 HB2 ALA 35 HB2 ALA 35 4.172 -2.734 0.423
275 HB3 ALA 35 HB3 ALA 35 4.615 -3.799 1.798
276 H ASN 36 H ASN 36 5.083 -6.219 1.741
277 HA ASN 36 HA ASN 36 7.796 -6.654 2.422
278 HB2 ASN 36 HB2 ASN 36 6.847 -7.852 4.034
279 HB3 ASN 36 HB3 ASN 36 5.289 -7.782 3.246
280 HD21 ASN 36 HD21 ASN 36 5.027 -9.456 1.363
281 HD22 ASN 36 HD22 ASN 36 5.727 -11.018 1.616
282 H ASP 37 H ASP 37 5.815 -8.008 -0.209
283 HA ASP 37 HA ASP 37 7.598 -10.107 -0.919
284 HB2 ASP 37 HB2 ASP 37 5.223 -9.934 -1.760
285 HB3 ASP 37 HB3 ASP 37 5.716 -8.572 -2.760
286 H ASN 38 H ASN 38 7.285 -6.730 -1.892
287 HA ASN 38 HA ASN 38 9.543 -6.774 -3.746
288 HB2 ASN 38 HB2 ASN 38 7.865 -4.511 -2.592
289 HB3 ASN 38 HB3 ASN 38 9.199 -4.288 -3.713
290 HD21 ASN 38 HD21 ASN 38 5.921 -5.681 -3.405
291 HD22 ASN 38 HD22 ASN 38 5.575 -5.577 -5.090
292 H GLY 39 H GLY 39 9.322 -6.820 -0.386
293 HA2 GLY 39 HA2 GLY 39 10.913 -6.667 1.269
294 HA3 GLY 39 HA3 GLY 39 12.135 -6.305 0.028
295 H VAL 40 H VAL 40 9.078 -4.558 0.676
296 HA VAL 40 HA VAL 40 10.605 -2.139 1.503
297 HB VAL 40 HB VAL 40 7.845 -2.283 0.265
298 HG11 VAL 40 HG11 VAL 40 8.201 0.141 -0.135
299 HG12 VAL 40 HG12 VAL 40 8.284 -0.271 1.587
300 HG13 VAL 40 HG13 VAL 40 9.781 0.027 0.658
301 HG21 VAL 40 HG21 VAL 40 9.264 -3.107 -1.451
302 HG22 VAL 40 HG22 VAL 40 8.856 -1.435 -1.854
303 HG23 VAL 40 HG23 VAL 40 10.462 -1.804 -1.196
304 H ASP 41 H ASP 41 10.247 -1.689 3.641
305 HA ASP 41 HA ASP 41 7.567 -1.956 4.708
306 HB2 ASP 41 HB2 ASP 41 8.432 -4.239 5.060
307 HB3 ASP 41 HB3 ASP 41 9.823 -3.552 5.909
308 H GLY 42 H GLY 42 7.469 0.054 5.308
309 HA2 GLY 42 HA2 GLY 42 9.487 1.185 7.196
310 HA3 GLY 42 HA3 GLY 42 9.053 2.078 5.729
311 H GLU 43 H GLU 43 8.090 3.831 6.662
312 HA GLU 43 HA GLU 43 5.972 3.421 8.647
313 HB2 GLU 43 HB2 GLU 43 7.493 5.391 8.784
314 HB3 GLU 43 HB3 GLU 43 6.840 5.994 7.245
315 HG2 GLU 43 HG2 GLU 43 4.528 5.972 8.271
316 HG3 GLU 43 HG3 GLU 43 5.241 5.452 9.796
317 H TRP 44 H TRP 44 4.045 2.834 8.019
318 HA TRP 44 HA TRP 44 3.113 3.190 5.257
319 HB2 TRP 44 HB2 TRP 44 1.951 1.730 7.650
320 HB3 TRP 44 HB3 TRP 44 1.153 1.886 6.086
321 HD1 TRP 44 HD1 TRP 44 4.485 0.508 7.461
322 HE1 TRP 44 HE1 TRP 44 5.353 -1.395 5.952
323 HE3 TRP 44 HE3 TRP 44 0.823 0.591 3.954
324 HZ2 TRP 44 HZ2 TRP 44 4.444 -2.795 3.661
325 HZ3 TRP 44 HZ3 TRP 44 0.845 -1.037 2.073
326 HH2 TRP 44 HH2 TRP 44 2.596 -2.745 1.923
327 H THR 45 H THR 45 1.699 4.712 4.678
328 HA THR 45 HA THR 45 0.269 6.342 6.703
329 HB THR 45 HB THR 45 0.650 8.271 5.305
330 HG1 THR 45 HG1 THR 45 1.725 8.089 3.354
331 HG21 THR 45 HG21 THR 45 3.320 6.789 5.316
332 HG22 THR 45 HG22 THR 45 2.621 7.573 6.753
333 HG23 THR 45 HG23 THR 45 3.054 8.542 5.337
334 H TYR 46 H TYR 46 -1.738 7.573 5.532
335 HA TYR 46 HA TYR 46 -2.874 6.010 3.335
336 HB2 TYR 46 HB2 TYR 46 -3.521 4.717 5.313
337 HB3 TYR 46 HB3 TYR 46 -4.103 6.170 6.110
338 HD1 TYR 46 HD1 TYR 46 -4.634 4.320 2.857
339 HD2 TYR 46 HD2 TYR 46 -6.430 6.481 6.126
340 HE1 TYR 46 HE1 TYR 46 -6.873 3.903 1.896
341 HE2 TYR 46 HE2 TYR 46 -8.665 6.029 5.213
342 HH TYR 46 HH TYR 46 -9.855 5.203 3.429
343 H ASP 47 H ASP 47 -4.425 7.152 2.236
344 HA ASP 47 HA ASP 47 -5.288 9.824 3.171
345 HB2 ASP 47 HB2 ASP 47 -3.853 9.286 0.534
346 HB3 ASP 47 HB3 ASP 47 -4.988 10.593 0.728
347 H ASP 48 H ASP 48 -7.359 9.004 3.439
348 HA ASP 48 HA ASP 48 -8.751 7.158 1.796
349 HB2 ASP 48 HB2 ASP 48 -9.256 8.199 4.180
350 HB3 ASP 48 HB3 ASP 48 -10.226 9.345 3.268
351 H ALA 49 H ALA 49 -8.289 10.564 1.582
352 HA ALA 49 HA ALA 49 -10.238 11.555 -0.136
353 HB1 ALA 49 HB1 ALA 49 -8.512 12.913 0.915
354 HB2 ALA 49 HB2 ALA 49 -7.254 12.116 -0.047
355 HB3 ALA 49 HB3 ALA 49 -8.455 13.176 -0.837
356 H THR 50 H THR 50 -7.533 9.452 -0.947
357 HA THR 50 HA THR 50 -8.602 9.102 -3.686
358 HB THR 50 HB THR 50 -6.843 10.745 -3.942
359 HG1 THR 50 HG1 THR 50 -5.601 9.611 -5.427
360 HG21 THR 50 HG21 THR 50 -5.481 10.502 -2.001
361 HG22 THR 50 HG22 THR 50 -4.439 10.083 -3.368
362 HG23 THR 50 HG23 THR 50 -5.150 8.813 -2.336
363 H LYS 51 H LYS 51 -8.458 7.737 -0.893
364 HA LYS 51 HA LYS 51 -7.987 5.738 0.072
365 HB2 LYS 51 HB2 LYS 51 -9.063 4.918 -2.656
366 HB3 LYS 51 HB3 LYS 51 -8.847 3.801 -1.303
367 HG2 LYS 51 HG2 LYS 51 -10.375 5.230 0.072
368 HG3 LYS 51 HG3 LYS 51 -10.721 6.206 -1.370
369 HD2 LYS 51 HD2 LYS 51 -11.001 3.181 -1.324
370 HD3 LYS 51 HD3 LYS 51 -12.327 4.207 -0.800
371 HE2 LYS 51 HE2 LYS 51 -11.080 4.272 -3.574
372 HE3 LYS 51 HE3 LYS 51 -12.541 3.388 -3.113
373 HZ1 LYS 51 HZ1 LYS 51 -13.213 5.353 -4.046
374 HZ2 LYS 51 HZ2 LYS 51 -12.157 6.285 -3.226
375 HZ3 LYS 51 HZ3 LYS 51 -13.443 5.600 -2.419
376 H THR 52 H THR 52 -5.624 6.743 -0.445
377 HA THR 52 HA THR 52 -4.121 4.567 -1.826
378 HB THR 52 HB THR 52 -3.516 7.529 -1.652
379 HG1 THR 52 HG1 THR 52 -5.161 6.646 -3.217
380 HG21 THR 52 HG21 THR 52 -1.679 7.030 -3.229
381 HG22 THR 52 HG22 THR 52 -1.955 5.286 -2.998
382 HG23 THR 52 HG23 THR 52 -1.401 6.311 -1.653
383 H PHE 53 H PHE 53 -2.219 3.877 -0.894
384 HA PHE 53 HA PHE 53 -1.680 4.584 1.943
385 HB2 PHE 53 HB2 PHE 53 -1.701 1.952 0.394
386 HB3 PHE 53 HB3 PHE 53 -0.809 2.123 1.868
387 HD1 PHE 53 HD2 PHE 53 -1.947 2.448 4.050
388 HD2 PHE 53 HD1 PHE 53 -4.054 1.816 0.388
389 HE1 PHE 53 HE2 PHE 53 -3.912 1.620 5.362
390 HE2 PHE 53 HE1 PHE 53 -6.053 0.943 1.693
391 HZ PHE 53 HZ PHE 53 -5.946 0.843 4.172
392 H THR 54 H THR 54 0.622 4.844 2.336
393 HA THR 54 HA THR 54 2.372 4.268 0.034
394 HB THR 54 HB THR 54 2.519 6.869 1.581
395 HG1 THR 54 HG1 THR 54 0.682 6.426 0.118
396 HG21 THR 54 HG21 THR 54 3.994 5.816 -0.868
397 HG22 THR 54 HG22 THR 54 4.666 6.237 0.700
398 HG23 THR 54 HG23 THR 54 3.999 7.495 -0.361
399 H VAL 55 H VAL 55 4.333 3.414 0.674
400 HA VAL 55 HA VAL 55 4.770 3.189 3.626
401 HB VAL 55 HB VAL 55 4.054 1.072 2.903
402 HG11 VAL 55 HG11 VAL 55 5.106 -0.294 1.227
403 HG12 VAL 55 HG12 VAL 55 4.494 1.192 0.474
404 HG13 VAL 55 HG13 VAL 55 6.231 1.006 0.795
405 HG21 VAL 55 HG21 VAL 55 5.887 1.155 4.529
406 HG22 VAL 55 HG22 VAL 55 6.021 -0.297 3.506
407 HG23 VAL 55 HG23 VAL 55 7.089 1.088 3.219
408 H THR 56 H THR 56 6.358 4.489 4.154
409 HA THR 56 HA THR 56 8.413 5.157 2.133
410 HB THR 56 HB THR 56 8.303 6.482 4.778
411 HG1 THR 56 HG1 THR 56 6.183 6.647 4.352
412 HG21 THR 56 HG21 THR 56 8.701 7.497 1.939
413 HG22 THR 56 HG22 THR 56 9.996 7.079 3.088
414 HG23 THR 56 HG23 THR 56 8.902 8.439 3.428
415 H GLU 57 H GLU 57 9.862 3.488 2.248
416 HA GLU 57 HA GLU 57 10.643 1.977 4.567
417 HB2 GLU 57 HB2 GLU 57 10.904 1.418 2.016
418 HB3 GLU 57 HB3 GLU 57 12.333 2.432 2.133
419 HG2 GLU 57 HG2 GLU 57 12.836 0.838 4.218
420 HG3 GLU 57 HG3 GLU 57 11.725 -0.223 3.324
Start of MODEL 16
1 H1 MET 1 H MET 1 -16.230 0.248 0.609
2 HA MET 1 HA MET 1 -14.165 -1.698 -0.093
3 HB2 MET 1 HB2 MET 1 -16.513 -2.496 -0.310
4 HB3 MET 1 HB3 MET 1 -16.813 -1.260 -1.532
5 HG2 MET 1 HG2 MET 1 -15.438 -2.358 -3.119
6 HG3 MET 1 HG3 MET 1 -14.517 -3.173 -1.880
7 HE1 MET 1 HE1 MET 1 -14.290 -5.459 -2.587
8 HE2 MET 1 HE2 MET 1 -15.505 -6.305 -3.559
9 HE3 MET 1 HE3 MET 1 -14.793 -4.790 -4.151
10 H GLY 2 H GLY 2 -14.152 -1.299 -2.917
11 HA2 GLY 2 HA2 GLY 2 -14.053 0.528 -4.482
12 HA3 GLY 2 HA3 GLY 2 -13.258 1.493 -3.221
13 H THR 3 H THR 3 -12.034 1.256 -5.634
14 HA THR 3 HA THR 3 -10.000 -0.840 -5.445
15 HB THR 3 HB THR 3 -10.069 1.510 -7.335
16 HG1 THR 3 HG1 THR 3 -11.107 -0.077 -8.762
17 HG21 THR 3 HG21 THR 3 -8.771 0.002 -8.793
18 HG22 THR 3 HG22 THR 3 -8.878 -1.291 -7.576
19 HG23 THR 3 HG23 THR 3 -7.973 0.198 -7.231
20 H TYR 4 H TYR 4 -8.436 -0.526 -4.083
21 HA TYR 4 HA TYR 4 -7.745 2.165 -3.019
22 HB2 TYR 4 HB2 TYR 4 -7.196 -0.694 -2.108
23 HB3 TYR 4 HB3 TYR 4 -6.385 0.724 -1.457
24 HD1 TYR 4 HD2 TYR 4 -9.689 -0.992 -1.600
25 HD2 TYR 4 HD1 TYR 4 -7.346 2.229 0.065
26 HE1 TYR 4 HE2 TYR 4 -11.481 -0.541 -0.003
27 HE2 TYR 4 HE1 TYR 4 -9.142 2.693 1.703
28 HH TYR 4 HH TYR 4 -12.163 0.840 1.863
29 H LYS 5 H LYS 5 -5.353 2.603 -2.818
30 HA LYS 5 HA LYS 5 -3.708 1.343 -4.972
31 HB2 LYS 5 HB2 LYS 5 -4.742 3.578 -5.566
32 HB3 LYS 5 HB3 LYS 5 -3.949 4.261 -4.173
33 HG2 LYS 5 HG2 LYS 5 -1.700 3.607 -5.224
34 HG3 LYS 5 HG3 LYS 5 -2.602 3.199 -6.683
35 HD2 LYS 5 HD2 LYS 5 -2.541 5.896 -5.246
36 HD3 LYS 5 HD3 LYS 5 -1.607 5.509 -6.677
37 HE2 LYS 5 HE2 LYS 5 -4.662 5.556 -6.535
38 HE3 LYS 5 HE3 LYS 5 -3.640 6.850 -7.146
39 HZ1 LYS 5 HZ1 LYS 5 -3.912 4.166 -8.336
40 HZ2 LYS 5 HZ2 LYS 5 -2.738 5.207 -8.756
41 HZ3 LYS 5 HZ3 LYS 5 -4.315 5.627 -8.996
42 H LEU 6 H LEU 6 -1.457 1.250 -4.548
43 HA LEU 6 HA LEU 6 -0.541 2.056 -1.824
44 HB2 LEU 6 HB2 LEU 6 -0.762 -0.403 -1.959
45 HB3 LEU 6 HB3 LEU 6 0.145 -0.396 -3.445
46 HG LEU 6 HG LEU 6 2.174 0.394 -2.238
47 HD11 LEU 6 HD11 LEU 6 1.283 1.658 -0.368
48 HD12 LEU 6 HD12 LEU 6 2.163 0.297 0.287
49 HD13 LEU 6 HD13 LEU 6 0.386 0.277 0.227
50 HD21 LEU 6 HD21 LEU 6 0.876 -2.144 -1.223
51 HD22 LEU 6 HD22 LEU 6 2.572 -1.691 -0.935
52 HD23 LEU 6 HD23 LEU 6 1.987 -1.929 -2.587
53 H ILE 7 H ILE 7 1.254 3.156 -1.782
54 HA ILE 7 HA ILE 7 2.826 3.507 -4.303
55 HB ILE 7 HB ILE 7 2.370 5.544 -2.117
56 HG12 ILE 7 HG12 ILE 7 1.209 5.371 -4.947
57 HG13 ILE 7 HG13 ILE 7 0.305 5.228 -3.438
58 HG21 ILE 7 HG21 ILE 7 3.630 7.064 -3.556
59 HG22 ILE 7 HG22 ILE 7 4.587 5.622 -3.315
60 HG23 ILE 7 HG23 ILE 7 3.717 5.841 -4.845
61 HD11 ILE 7 HD11 ILE 7 -0.057 7.420 -4.392
62 HD12 ILE 7 HD12 ILE 7 0.863 7.584 -2.879
63 HD13 ILE 7 HD13 ILE 7 1.671 7.748 -4.462
64 H LEU 8 H LEU 8 4.456 2.144 -4.052
65 HA LEU 8 HA LEU 8 5.698 1.548 -1.446
66 HB2 LEU 8 HB2 LEU 8 6.257 0.707 -4.331
67 HB3 LEU 8 HB3 LEU 8 7.276 0.216 -3.011
68 HG LEU 8 HG LEU 8 4.301 -0.321 -2.909
69 HD11 LEU 8 HD11 LEU 8 5.219 -1.174 -5.135
70 HD12 LEU 8 HD12 LEU 8 4.476 -2.391 -4.083
71 HD13 LEU 8 HD13 LEU 8 6.240 -2.278 -4.203
72 HD21 LEU 8 HD21 LEU 8 4.866 -2.184 -1.597
73 HD22 LEU 8 HD22 LEU 8 5.680 -0.770 -0.911
74 HD23 LEU 8 HD23 LEU 8 6.610 -1.957 -1.857
75 H ASN 9 H ASN 9 6.946 3.274 -0.707
76 HA ASN 9 HA ASN 9 8.634 4.786 -2.664
77 HB2 ASN 9 HB2 ASN 9 7.221 5.551 -0.084
78 HB3 ASN 9 HB3 ASN 9 8.687 6.372 -0.584
79 HD21 ASN 9 HD21 ASN 9 6.587 7.942 -0.284
80 HD22 ASN 9 HD22 ASN 9 6.026 8.474 -1.864
81 H GLY 10 H GLY 10 10.021 2.762 -2.494
82 HA2 GLY 10 HA2 GLY 10 11.356 2.515 0.115
83 HA3 GLY 10 HA3 GLY 10 11.449 1.375 -1.222
84 H LYS 11 H LYS 11 13.466 2.708 0.430
85 HA LYS 11 HA LYS 11 14.944 4.706 -0.933
86 HB2 LYS 11 HB2 LYS 11 15.846 2.401 0.871
87 HB3 LYS 11 HB3 LYS 11 16.878 3.741 0.399
88 HG2 LYS 11 HG2 LYS 11 15.537 5.346 1.575
89 HG3 LYS 11 HG3 LYS 11 14.226 4.187 1.753
90 HD2 LYS 11 HD2 LYS 11 16.858 4.039 3.239
91 HD3 LYS 11 HD3 LYS 11 15.290 4.630 3.836
92 HE2 LYS 11 HE2 LYS 11 14.471 2.243 2.956
93 HE3 LYS 11 HE3 LYS 11 16.147 1.797 3.282
94 HZ1 LYS 11 HZ1 LYS 11 14.606 1.451 5.137
95 HZ2 LYS 11 HZ2 LYS 11 14.247 3.034 5.158
96 HZ3 LYS 11 HZ3 LYS 11 15.792 2.554 5.569
97 H THR 12 H THR 12 14.660 1.287 -1.433
98 HA THR 12 HA THR 12 16.770 1.360 -3.537
99 HB THR 12 HB THR 12 16.995 -1.017 -3.177
100 HG1 THR 12 HG1 THR 12 15.207 -0.674 -0.997
101 HG21 THR 12 HG21 THR 12 18.139 -0.963 -1.083
102 HG22 THR 12 HG22 THR 12 17.125 0.351 -0.457
103 HG23 THR 12 HG23 THR 12 18.267 0.674 -1.765
104 H LEU 13 H LEU 13 13.387 0.128 -2.870
105 HA LEU 13 HA LEU 13 13.045 0.373 -5.846
106 HB2 LEU 13 HB2 LEU 13 13.446 -1.983 -5.342
107 HB3 LEU 13 HB3 LEU 13 12.136 -1.953 -4.154
108 HG LEU 13 HG LEU 13 10.514 -1.417 -5.978
109 HD11 LEU 13 HD11 LEU 13 11.895 -0.323 -7.622
110 HD12 LEU 13 HD12 LEU 13 11.160 -1.765 -8.320
111 HD13 LEU 13 HD13 LEU 13 12.865 -1.804 -7.819
112 HD21 LEU 13 HD21 LEU 13 10.951 -3.753 -5.214
113 HD22 LEU 13 HD22 LEU 13 12.164 -3.918 -6.488
114 HD23 LEU 13 HD23 LEU 13 10.455 -3.665 -6.910
115 H LYS 14 H LYS 14 11.422 1.446 -6.471
116 HA LYS 14 HA LYS 14 9.166 1.995 -4.634
117 HB2 LYS 14 HB2 LYS 14 10.247 3.751 -6.899
118 HB3 LYS 14 HB3 LYS 14 8.870 4.094 -5.858
119 HG2 LYS 14 HG2 LYS 14 10.197 5.262 -4.578
120 HG3 LYS 14 HG3 LYS 14 10.825 3.743 -3.980
121 HD2 LYS 14 HD2 LYS 14 12.024 5.355 -6.282
122 HD3 LYS 14 HD3 LYS 14 12.531 5.457 -4.589
123 HE2 LYS 14 HE2 LYS 14 13.107 3.015 -4.645
124 HE3 LYS 14 HE3 LYS 14 12.786 3.016 -6.387
125 HZ1 LYS 14 HZ1 LYS 14 14.774 4.795 -5.097
126 HZ2 LYS 14 HZ2 LYS 14 14.581 4.532 -6.700
127 HZ3 LYS 14 HZ3 LYS 14 15.173 3.350 -5.762
128 H GLY 15 H GLY 15 7.052 2.205 -5.688
129 HA2 GLY 15 HA2 GLY 15 6.554 1.604 -8.426
130 HA3 GLY 15 HA3 GLY 15 6.432 0.108 -7.471
131 H GLU 16 H GLU 16 4.129 0.978 -8.769
132 HA GLU 16 HA GLU 16 2.417 1.779 -6.523
133 HB2 GLU 16 HB2 GLU 16 2.451 2.954 -9.302
134 HB3 GLU 16 HB3 GLU 16 1.011 2.939 -8.262
135 HG2 GLU 16 HG2 GLU 16 2.334 3.981 -6.424
136 HG3 GLU 16 HG3 GLU 16 3.730 4.078 -7.497
137 H THR 17 H THR 17 0.512 0.644 -6.378
138 HA THR 17 HA THR 17 -0.264 -1.225 -8.453
139 HB THR 17 HB THR 17 1.484 -2.433 -7.044
140 HG1 THR 17 HG1 THR 17 0.251 -3.693 -8.141
141 HG21 THR 17 HG21 THR 17 0.667 -3.463 -4.890
142 HG22 THR 17 HG22 THR 17 -0.654 -2.285 -4.869
143 HG23 THR 17 HG23 THR 17 1.052 -1.761 -4.805
144 H THR 18 H THR 18 -2.433 -2.276 -7.795
145 HA THR 18 HA THR 18 -3.951 -0.676 -5.854
146 HB THR 18 HB THR 18 -5.791 -0.570 -7.648
147 HG1 THR 18 HG1 THR 18 -4.937 -1.984 -9.177
148 HG21 THR 18 HG21 THR 18 -4.526 1.461 -7.057
149 HG22 THR 18 HG22 THR 18 -4.919 1.426 -8.781
150 HG23 THR 18 HG23 THR 18 -3.270 1.043 -8.247
151 H THR 19 H THR 19 -5.855 -1.765 -5.126
152 HA THR 19 HA THR 19 -6.360 -4.473 -6.093
153 HB THR 19 HB THR 19 -4.529 -4.544 -4.256
154 HG1 THR 19 HG1 THR 19 -6.586 -6.224 -3.458
155 HG21 THR 19 HG21 THR 19 -5.196 -4.525 -1.964
156 HG22 THR 19 HG22 THR 19 -6.921 -4.373 -2.379
157 HG23 THR 19 HG23 THR 19 -5.823 -3.026 -2.670
158 H GLU 20 H GLU 20 -8.551 -5.128 -5.565
159 HA GLU 20 HA GLU 20 -10.306 -2.852 -4.777
160 HB2 GLU 20 HB2 GLU 20 -10.879 -5.578 -6.032
161 HB3 GLU 20 HB3 GLU 20 -12.108 -4.393 -5.526
162 HG2 GLU 20 HG2 GLU 20 -11.006 -2.700 -7.014
163 HG3 GLU 20 HG3 GLU 20 -9.931 -3.963 -7.624
164 H ALA 21 H ALA 21 -10.575 -2.738 -2.591
165 HA ALA 21 HA ALA 21 -10.541 -5.321 -1.063
166 HB1 ALA 21 HB1 ALA 21 -8.649 -3.634 -0.641
167 HB2 ALA 21 HB2 ALA 21 -9.914 -2.608 0.082
168 HB3 ALA 21 HB3 ALA 21 -9.588 -4.196 0.762
169 H VAL 22 H VAL 22 -12.160 -5.688 0.263
170 HA VAL 22 HA VAL 22 -14.674 -4.353 -0.041
171 HB VAL 22 HB VAL 22 -15.473 -5.810 1.784
172 HG11 VAL 22 HG11 VAL 22 -13.831 -7.357 -0.245
173 HG12 VAL 22 HG12 VAL 22 -15.352 -7.848 0.539
174 HG13 VAL 22 HG13 VAL 22 -15.359 -6.529 -0.617
175 HG21 VAL 22 HG21 VAL 22 -14.041 -7.570 2.737
176 HG22 VAL 22 HG22 VAL 22 -12.620 -6.915 1.905
177 HG23 VAL 22 HG23 VAL 22 -13.415 -5.993 3.196
178 H ASP 23 H ASP 23 -12.115 -4.131 2.431
179 HA ASP 23 HA ASP 23 -13.385 -1.707 3.561
180 HB2 ASP 23 HB2 ASP 23 -12.269 -4.120 5.073
181 HB3 ASP 23 HB3 ASP 23 -12.678 -2.574 5.810
182 H ALA 24 H ALA 24 -11.722 -0.474 4.790
183 HA ALA 24 HA ALA 24 -9.255 -0.321 3.325
184 HB1 ALA 24 HB1 ALA 24 -10.003 0.859 6.043
185 HB2 ALA 24 HB2 ALA 24 -8.614 1.334 5.046
186 HB3 ALA 24 HB3 ALA 24 -10.258 1.632 4.456
187 H ALA 25 H ALA 25 -10.251 -2.224 6.100
188 HA ALA 25 HA ALA 25 -7.647 -2.733 7.215
189 HB1 ALA 25 HB1 ALA 25 -9.754 -3.088 8.459
190 HB2 ALA 25 HB2 ALA 25 -10.239 -4.367 7.320
191 HB3 ALA 25 HB3 ALA 25 -8.827 -4.579 8.368
192 H THR 26 H THR 26 -9.752 -4.692 4.959
193 HA THR 26 HA THR 26 -7.939 -6.733 4.445
194 HB THR 26 HB THR 26 -9.904 -5.585 2.457
195 HG1 THR 26 HG1 THR 26 -10.844 -7.519 4.157
196 HG21 THR 26 HG21 THR 26 -9.082 -8.444 3.116
197 HG22 THR 26 HG22 THR 26 -8.543 -7.537 1.702
198 HG23 THR 26 HG23 THR 26 -10.258 -7.954 1.869
199 H ALA 27 H ALA 27 -8.352 -3.518 2.912
200 HA ALA 27 HA ALA 27 -6.507 -3.864 0.797
201 HB1 ALA 27 HB1 ALA 27 -8.206 -1.905 1.292
202 HB2 ALA 27 HB2 ALA 27 -6.899 -1.206 2.237
203 HB3 ALA 27 HB3 ALA 27 -6.670 -1.528 0.510
204 H GLU 28 H GLU 28 -6.022 -2.374 4.037
205 HA GLU 28 HA GLU 28 -3.351 -1.720 3.912
206 HB2 GLU 28 HB2 GLU 28 -4.968 -1.161 5.725
207 HB3 GLU 28 HB3 GLU 28 -4.936 -2.840 6.264
208 HG2 GLU 28 HG2 GLU 28 -2.401 -2.538 6.604
209 HG3 GLU 28 HG3 GLU 28 -2.687 -0.809 6.339
210 H LYS 29 H LYS 29 -4.761 -4.817 4.903
211 HA LYS 29 HA LYS 29 -2.304 -6.174 5.528
212 HB2 LYS 29 HB2 LYS 29 -5.072 -7.157 4.716
213 HB3 LYS 29 HB3 LYS 29 -3.783 -8.226 5.293
214 HG2 LYS 29 HG2 LYS 29 -3.750 -7.023 7.446
215 HG3 LYS 29 HG3 LYS 29 -4.998 -5.922 6.906
216 HD2 LYS 29 HD2 LYS 29 -5.358 -8.934 7.007
217 HD3 LYS 29 HD3 LYS 29 -5.735 -7.842 8.342
218 HE2 LYS 29 HE2 LYS 29 -7.242 -6.581 6.756
219 HE3 LYS 29 HE3 LYS 29 -7.052 -7.936 5.617
220 HZ1 LYS 29 HZ1 LYS 29 -8.014 -8.242 8.373
221 HZ2 LYS 29 HZ2 LYS 29 -8.149 -9.353 7.121
222 HZ3 LYS 29 HZ3 LYS 29 -9.040 -8.002 7.126
223 H VAL 30 H VAL 30 -4.385 -6.251 2.583
224 HA VAL 30 HA VAL 30 -2.723 -8.098 1.180
225 HB VAL 30 HB VAL 30 -4.738 -6.003 0.303
226 HG11 VAL 30 HG11 VAL 30 -4.634 -7.032 -1.989
227 HG12 VAL 30 HG12 VAL 30 -3.228 -6.041 -1.580
228 HG13 VAL 30 HG13 VAL 30 -3.105 -7.810 -1.511
229 HG21 VAL 30 HG21 VAL 30 -4.627 -9.051 0.284
230 HG22 VAL 30 HG22 VAL 30 -5.591 -8.047 1.370
231 HG23 VAL 30 HG23 VAL 30 -5.971 -8.102 -0.359
232 H PHE 31 H PHE 31 -2.687 -4.510 1.302
233 HA PHE 31 HA PHE 31 -0.474 -4.253 -0.453
234 HB2 PHE 31 HB2 PHE 31 -1.526 -2.457 1.763
235 HB3 PHE 31 HB3 PHE 31 -0.313 -1.975 0.597
236 HD1 PHE 31 HD1 PHE 31 -1.334 -3.122 -2.006
237 HD2 PHE 31 HD2 PHE 31 -3.373 -1.097 1.237
238 HE1 PHE 31 HE1 PHE 31 -2.989 -2.268 -3.582
239 HE2 PHE 31 HE2 PHE 31 -4.999 -0.243 -0.323
240 HZ PHE 31 HZ PHE 31 -4.828 -0.807 -2.798
241 H LYS 32 H LYS 32 -0.534 -4.722 3.150
242 HA LYS 32 HA LYS 32 2.282 -4.314 3.474
243 HB2 LYS 32 HB2 LYS 32 0.211 -5.893 5.041
244 HB3 LYS 32 HB3 LYS 32 1.924 -6.032 5.388
245 HG2 LYS 32 HG2 LYS 32 1.776 -3.335 5.285
246 HG3 LYS 32 HG3 LYS 32 0.121 -3.713 5.743
247 HD2 LYS 32 HD2 LYS 32 0.831 -4.790 7.748
248 HD3 LYS 32 HD3 LYS 32 2.524 -4.728 7.254
249 HE2 LYS 32 HE2 LYS 32 2.033 -2.937 8.870
250 HE3 LYS 32 HE3 LYS 32 2.566 -2.299 7.319
251 HZ1 LYS 32 HZ1 LYS 32 0.669 -1.058 8.140
252 HZ2 LYS 32 HZ2 LYS 32 -0.225 -2.428 8.274
253 HZ3 LYS 32 HZ3 LYS 32 0.220 -1.847 6.787
254 H GLN 33 H GLN 33 0.437 -7.267 2.786
255 HA GLN 33 HA GLN 33 2.645 -8.998 2.698
256 HB2 GLN 33 HB2 GLN 33 0.247 -9.721 2.673
257 HB3 GLN 33 HB3 GLN 33 0.074 -9.067 1.048
258 HG2 GLN 33 HG2 GLN 33 0.337 -11.311 0.620
259 HG3 GLN 33 HG3 GLN 33 1.968 -10.733 0.354
260 HE21 GLN 33 HE21 GLN 33 3.529 -10.994 2.361
261 HE22 GLN 33 HE22 GLN 33 3.222 -12.323 3.415
262 H TYR 34 H TYR 34 1.178 -6.892 0.238
263 HA TYR 34 HA TYR 34 2.745 -7.761 -1.987
264 HB2 TYR 34 HB2 TYR 34 0.624 -6.135 -1.746
265 HB3 TYR 34 HB3 TYR 34 1.857 -4.885 -1.748
266 HD1 TYR 34 HD2 TYR 34 3.318 -4.565 -3.787
267 HD2 TYR 34 HD1 TYR 34 0.057 -7.399 -3.672
268 HE1 TYR 34 HE2 TYR 34 3.370 -4.733 -6.257
269 HE2 TYR 34 HE1 TYR 34 0.080 -7.544 -6.111
270 HH TYR 34 HH TYR 34 0.902 -6.589 -8.077
271 H ALA 35 H ALA 35 3.198 -5.022 0.243
272 HA ALA 35 HA ALA 35 5.613 -4.096 -0.989
273 HB1 ALA 35 HB1 ALA 35 5.817 -2.745 1.047
274 HB2 ALA 35 HB2 ALA 35 4.154 -2.773 0.440
275 HB3 ALA 35 HB3 ALA 35 4.612 -3.786 1.837
276 H ASN 36 H ASN 36 5.123 -6.145 1.880
277 HA ASN 36 HA ASN 36 7.859 -6.544 2.462
278 HB2 ASN 36 HB2 ASN 36 6.943 -7.528 4.217
279 HB3 ASN 36 HB3 ASN 36 5.360 -7.447 3.488
280 HD21 ASN 36 HD21 ASN 36 4.982 -9.390 1.706
281 HD22 ASN 36 HD22 ASN 36 5.646 -10.917 2.324
282 H ASP 37 H ASP 37 5.747 -8.091 0.069
283 HA ASP 37 HA ASP 37 7.413 -10.324 -0.552
284 HB2 ASP 37 HB2 ASP 37 4.999 -10.094 -1.173
285 HB3 ASP 37 HB3 ASP 37 5.428 -8.826 -2.302
286 H ASN 38 H ASN 38 7.391 -6.950 -1.530
287 HA ASN 38 HA ASN 38 9.568 -7.335 -3.514
288 HB2 ASN 38 HB2 ASN 38 7.988 -4.842 -2.759
289 HB3 ASN 38 HB3 ASN 38 9.237 -4.951 -4.006
290 HD21 ASN 38 HD21 ASN 38 5.961 -5.786 -3.176
291 HD22 ASN 38 HD22 ASN 38 5.480 -6.447 -4.656
292 H GLY 39 H GLY 39 9.475 -7.078 -0.250
293 HA2 GLY 39 HA2 GLY 39 11.191 -6.768 1.260
294 HA3 GLY 39 HA3 GLY 39 12.234 -6.195 -0.047
295 H VAL 40 H VAL 40 9.097 -4.720 0.600
296 HA VAL 40 HA VAL 40 10.443 -2.250 1.535
297 HB VAL 40 HB VAL 40 7.756 -2.603 0.168
298 HG11 VAL 40 HG11 VAL 40 9.406 -0.116 0.842
299 HG12 VAL 40 HG12 VAL 40 7.908 -0.116 -0.104
300 HG13 VAL 40 HG13 VAL 40 7.868 -0.592 1.604
301 HG21 VAL 40 HG21 VAL 40 9.211 -3.126 -1.530
302 HG22 VAL 40 HG22 VAL 40 9.013 -1.368 -1.733
303 HG23 VAL 40 HG23 VAL 40 10.463 -2.030 -0.944
304 H ASP 41 H ASP 41 10.207 -1.880 3.647
305 HA ASP 41 HA ASP 41 7.656 -2.325 5.038
306 HB2 ASP 41 HB2 ASP 41 8.711 -4.463 5.322
307 HB3 ASP 41 HB3 ASP 41 10.271 -3.711 5.703
308 H GLY 42 H GLY 42 7.684 -0.045 5.024
309 HA2 GLY 42 HA2 GLY 42 9.709 1.289 6.755
310 HA3 GLY 42 HA3 GLY 42 9.057 1.989 5.261
311 H GLU 43 H GLU 43 8.296 3.760 6.409
312 HA GLU 43 HA GLU 43 6.290 3.429 8.506
313 HB2 GLU 43 HB2 GLU 43 8.035 5.194 8.519
314 HB3 GLU 43 HB3 GLU 43 7.300 5.938 7.094
315 HG2 GLU 43 HG2 GLU 43 5.187 6.269 8.390
316 HG3 GLU 43 HG3 GLU 43 5.934 5.522 9.796
317 H TRP 44 H TRP 44 4.369 2.771 7.885
318 HA TRP 44 HA TRP 44 3.254 3.268 5.242
319 HB2 TRP 44 HB2 TRP 44 2.140 1.915 7.724
320 HB3 TRP 44 HB3 TRP 44 1.275 2.049 6.198
321 HD1 TRP 44 HD1 TRP 44 4.531 0.484 7.561
322 HE1 TRP 44 HE1 TRP 44 5.202 -1.487 6.172
323 HE3 TRP 44 HE3 TRP 44 0.960 0.891 3.924
324 HZ2 TRP 44 HZ2 TRP 44 4.302 -2.798 3.775
325 HZ3 TRP 44 HZ3 TRP 44 0.915 -0.811 2.065
326 HH2 TRP 44 HH2 TRP 44 2.569 -2.588 1.975
327 H THR 45 H THR 45 1.741 4.741 4.741
328 HA THR 45 HA THR 45 0.571 6.500 6.826
329 HB THR 45 HB THR 45 0.894 8.349 5.365
330 HG1 THR 45 HG1 THR 45 1.839 7.997 3.265
331 HG21 THR 45 HG21 THR 45 3.003 7.625 6.525
332 HG22 THR 45 HG22 THR 45 3.291 8.468 4.990
333 HG23 THR 45 HG23 THR 45 3.464 6.720 5.064
334 H TYR 46 H TYR 46 -1.226 7.826 5.085
335 HA TYR 46 HA TYR 46 -2.742 6.076 3.471
336 HB2 TYR 46 HB2 TYR 46 -3.434 5.102 5.635
337 HB3 TYR 46 HB3 TYR 46 -3.892 6.704 6.201
338 HD1 TYR 46 HD1 TYR 46 -4.584 4.513 3.195
339 HD2 TYR 46 HD2 TYR 46 -6.196 7.061 6.295
340 HE1 TYR 46 HE1 TYR 46 -6.867 4.114 2.335
341 HE2 TYR 46 HE2 TYR 46 -8.463 6.618 5.491
342 HH TYR 46 HH TYR 46 -9.671 5.939 3.528
343 H ASP 47 H ASP 47 -4.191 7.277 2.316
344 HA ASP 47 HA ASP 47 -4.639 10.163 2.884
345 HB2 ASP 47 HB2 ASP 47 -3.658 8.857 0.305
346 HB3 ASP 47 HB3 ASP 47 -4.603 10.327 0.305
347 H ASP 48 H ASP 48 -6.635 9.474 3.702
348 HA ASP 48 HA ASP 48 -8.409 7.618 2.539
349 HB2 ASP 48 HB2 ASP 48 -8.552 8.765 4.807
350 HB3 ASP 48 HB3 ASP 48 -9.131 10.189 3.990
351 H ALA 49 H ALA 49 -7.903 10.952 1.949
352 HA ALA 49 HA ALA 49 -10.058 11.812 0.402
353 HB1 ALA 49 HB1 ALA 49 -8.535 13.438 -0.598
354 HB2 ALA 49 HB2 ALA 49 -8.038 13.185 1.092
355 HB3 ALA 49 HB3 ALA 49 -7.144 12.398 -0.228
356 H THR 50 H THR 50 -7.430 9.624 -0.632
357 HA THR 50 HA THR 50 -8.787 9.213 -3.230
358 HB THR 50 HB THR 50 -7.057 10.909 -3.524
359 HG1 THR 50 HG1 THR 50 -5.970 9.964 -5.156
360 HG21 THR 50 HG21 THR 50 -5.162 8.871 -2.317
361 HG22 THR 50 HG22 THR 50 -5.511 10.513 -1.759
362 HG23 THR 50 HG23 THR 50 -4.633 10.283 -3.268
363 H LYS 51 H LYS 51 -8.487 7.889 -0.471
364 HA LYS 51 HA LYS 51 -7.886 5.979 0.525
365 HB2 LYS 51 HB2 LYS 51 -9.076 4.012 -0.598
366 HB3 LYS 51 HB3 LYS 51 -9.975 5.368 0.067
367 HG2 LYS 51 HG2 LYS 51 -10.485 6.236 -2.089
368 HG3 LYS 51 HG3 LYS 51 -9.240 5.258 -2.854
369 HD2 LYS 51 HD2 LYS 51 -11.316 4.239 -3.395
370 HD3 LYS 51 HD3 LYS 51 -10.573 3.170 -2.218
371 HE2 LYS 51 HE2 LYS 51 -12.652 5.303 -1.536
372 HE3 LYS 51 HE3 LYS 51 -13.077 3.643 -1.997
373 HZ1 LYS 51 HZ1 LYS 51 -11.674 2.977 -0.001
374 HZ2 LYS 51 HZ2 LYS 51 -13.126 3.665 0.270
375 HZ3 LYS 51 HZ3 LYS 51 -11.794 4.562 0.482
376 H THR 52 H THR 52 -5.633 6.626 -0.136
377 HA THR 52 HA THR 52 -4.329 4.360 -1.543
378 HB THR 52 HB THR 52 -3.693 7.337 -1.507
379 HG1 THR 52 HG1 THR 52 -5.376 6.582 -2.989
380 HG21 THR 52 HG21 THR 52 -2.118 5.109 -2.849
381 HG22 THR 52 HG22 THR 52 -1.558 6.191 -1.554
382 HG23 THR 52 HG23 THR 52 -1.900 6.848 -3.142
383 H PHE 53 H PHE 53 -2.257 3.717 -0.581
384 HA PHE 53 HA PHE 53 -1.614 4.980 2.052
385 HB2 PHE 53 HB2 PHE 53 -1.077 2.061 1.452
386 HB3 PHE 53 HB3 PHE 53 -0.746 2.894 2.855
387 HD1 PHE 53 HD1 PHE 53 -3.847 2.219 0.809
388 HD2 PHE 53 HD2 PHE 53 -2.008 2.307 4.675
389 HE1 PHE 53 HE1 PHE 53 -5.937 1.277 1.818
390 HE2 PHE 53 HE2 PHE 53 -4.085 1.390 5.704
391 HZ PHE 53 HZ PHE 53 -6.050 0.869 4.269
392 H THR 54 H THR 54 0.699 5.075 2.426
393 HA THR 54 HA THR 54 2.358 4.414 0.068
394 HB THR 54 HB THR 54 2.539 6.923 1.746
395 HG1 THR 54 HG1 THR 54 1.559 7.976 0.176
396 HG21 THR 54 HG21 THR 54 4.065 7.753 0.041
397 HG22 THR 54 HG22 THR 54 4.048 6.170 -0.754
398 HG23 THR 54 HG23 THR 54 4.702 6.336 0.883
399 H VAL 55 H VAL 55 4.336 3.493 0.714
400 HA VAL 55 HA VAL 55 4.787 3.231 3.648
401 HB VAL 55 HB VAL 55 3.995 1.137 2.970
402 HG11 VAL 55 HG11 VAL 55 6.053 0.966 0.787
403 HG12 VAL 55 HG12 VAL 55 4.918 -0.297 1.319
404 HG13 VAL 55 HG13 VAL 55 4.310 1.188 0.554
405 HG21 VAL 55 HG21 VAL 55 5.900 1.215 4.531
406 HG22 VAL 55 HG22 VAL 55 5.959 -0.275 3.548
407 HG23 VAL 55 HG23 VAL 55 7.041 1.086 3.180
408 H THR 56 H THR 56 6.321 4.566 4.041
409 HA THR 56 HA THR 56 8.319 5.185 1.968
410 HB THR 56 HB THR 56 8.184 6.592 4.590
411 HG1 THR 56 HG1 THR 56 6.031 6.572 3.885
412 HG21 THR 56 HG21 THR 56 8.618 7.593 1.755
413 HG22 THR 56 HG22 THR 56 9.927 6.990 2.803
414 HG23 THR 56 HG23 THR 56 9.011 8.421 3.283
415 H GLU 57 H GLU 57 9.844 3.701 2.018
416 HA GLU 57 HA GLU 57 10.918 2.545 4.530
417 HB2 GLU 57 HB2 GLU 57 10.772 1.637 1.815
418 HB3 GLU 57 HB3 GLU 57 12.457 2.044 2.059
419 HG2 GLU 57 HG2 GLU 57 11.051 0.374 4.149
420 HG3 GLU 57 HG3 GLU 57 11.358 -0.351 2.580
Start of MODEL 17
1 H1 MET 1 H MET 1 -17.038 0.044 -0.211
2 HA MET 1 HA MET 1 -14.570 -1.593 -0.196
3 HB2 MET 1 HB2 MET 1 -16.534 -2.989 -0.497
4 HB3 MET 1 HB3 MET 1 -17.091 -2.021 -1.846
5 HG2 MET 1 HG2 MET 1 -15.703 -3.071 -3.310
6 HG3 MET 1 HG3 MET 1 -14.374 -3.149 -2.166
7 HE1 MET 1 HE1 MET 1 -14.220 -5.382 -3.871
8 HE2 MET 1 HE2 MET 1 -13.361 -5.396 -2.323
9 HE3 MET 1 HE3 MET 1 -14.276 -6.826 -2.835
10 H GLY 2 H GLY 2 -14.048 -1.626 -2.996
11 HA2 GLY 2 HA2 GLY 2 -14.230 0.061 -4.803
12 HA3 GLY 2 HA3 GLY 2 -13.675 1.250 -3.616
13 H THR 3 H THR 3 -12.182 1.100 -5.798
14 HA THR 3 HA THR 3 -10.012 -0.815 -5.483
15 HB THR 3 HB THR 3 -10.013 1.605 -7.280
16 HG1 THR 3 HG1 THR 3 -11.399 -0.833 -7.863
17 HG21 THR 3 HG21 THR 3 -8.902 -1.205 -7.660
18 HG22 THR 3 HG22 THR 3 -7.980 0.225 -7.157
19 HG23 THR 3 HG23 THR 3 -8.711 0.170 -8.771
20 H TYR 4 H TYR 4 -8.506 -0.510 -4.038
21 HA TYR 4 HA TYR 4 -7.881 2.148 -2.875
22 HB2 TYR 4 HB2 TYR 4 -7.339 -0.761 -2.108
23 HB3 TYR 4 HB3 TYR 4 -6.483 0.572 -1.366
24 HD1 TYR 4 HD2 TYR 4 -9.820 -1.041 -1.621
25 HD2 TYR 4 HD1 TYR 4 -7.460 2.109 0.166
26 HE1 TYR 4 HE2 TYR 4 -11.639 -0.597 -0.032
27 HE2 TYR 4 HE1 TYR 4 -9.290 2.538 1.799
28 HH TYR 4 HH TYR 4 -12.399 0.735 1.749
29 H LYS 5 H LYS 5 -5.455 2.611 -2.654
30 HA LYS 5 HA LYS 5 -3.829 1.437 -4.863
31 HB2 LYS 5 HB2 LYS 5 -4.908 3.675 -5.419
32 HB3 LYS 5 HB3 LYS 5 -4.062 4.329 -4.027
33 HG2 LYS 5 HG2 LYS 5 -1.870 3.554 -5.242
34 HG3 LYS 5 HG3 LYS 5 -2.921 3.363 -6.646
35 HD2 LYS 5 HD2 LYS 5 -3.647 5.858 -6.091
36 HD3 LYS 5 HD3 LYS 5 -2.211 5.866 -5.070
37 HE2 LYS 5 HE2 LYS 5 -1.468 6.733 -7.128
38 HE3 LYS 5 HE3 LYS 5 -0.892 5.054 -7.107
39 HZ1 LYS 5 HZ1 LYS 5 -2.958 4.528 -8.387
40 HZ2 LYS 5 HZ2 LYS 5 -1.890 5.464 -9.201
41 HZ3 LYS 5 HZ3 LYS 5 -3.240 6.151 -8.518
42 H LEU 6 H LEU 6 -1.577 1.355 -4.484
43 HA LEU 6 HA LEU 6 -0.662 2.057 -1.730
44 HB2 LEU 6 HB2 LEU 6 -0.877 -0.315 -1.771
45 HB3 LEU 6 HB3 LEU 6 -0.122 -0.424 -3.351
46 HG LEU 6 HG LEU 6 2.053 0.364 -2.318
47 HD11 LEU 6 HD11 LEU 6 0.454 0.150 0.269
48 HD12 LEU 6 HD12 LEU 6 1.314 1.570 -0.348
49 HD13 LEU 6 HD13 LEU 6 2.232 0.180 0.189
50 HD21 LEU 6 HD21 LEU 6 0.721 -2.191 -1.412
51 HD22 LEU 6 HD22 LEU 6 2.405 -1.818 -1.023
52 HD23 LEU 6 HD23 LEU 6 1.888 -1.930 -2.711
53 H ILE 7 H ILE 7 1.237 3.021 -1.685
54 HA ILE 7 HA ILE 7 2.784 3.466 -4.191
55 HB ILE 7 HB ILE 7 2.238 5.482 -1.995
56 HG12 ILE 7 HG12 ILE 7 1.226 5.323 -4.857
57 HG13 ILE 7 HG13 ILE 7 0.266 5.165 -3.393
58 HG21 ILE 7 HG21 ILE 7 4.542 5.646 -3.034
59 HG22 ILE 7 HG22 ILE 7 3.776 5.833 -4.622
60 HG23 ILE 7 HG23 ILE 7 3.555 7.052 -3.345
61 HD11 ILE 7 HD11 ILE 7 -0.078 7.366 -4.331
62 HD12 ILE 7 HD12 ILE 7 0.768 7.504 -2.772
63 HD13 ILE 7 HD13 ILE 7 1.647 7.715 -4.311
64 H LEU 8 H LEU 8 4.534 2.264 -3.991
65 HA LEU 8 HA LEU 8 5.761 1.655 -1.379
66 HB2 LEU 8 HB2 LEU 8 6.411 0.805 -4.235
67 HB3 LEU 8 HB3 LEU 8 7.217 0.207 -2.860
68 HG LEU 8 HG LEU 8 4.311 -0.216 -3.325
69 HD11 LEU 8 HD11 LEU 8 5.801 -1.331 -5.050
70 HD12 LEU 8 HD12 LEU 8 5.001 -2.518 -4.018
71 HD13 LEU 8 HD13 LEU 8 6.703 -2.107 -3.735
72 HD21 LEU 8 HD21 LEU 8 4.595 -2.062 -1.698
73 HD22 LEU 8 HD22 LEU 8 4.738 -0.445 -1.017
74 HD23 LEU 8 HD23 LEU 8 6.203 -1.421 -1.296
75 H ASN 9 H ASN 9 6.902 3.343 -0.697
76 HA ASN 9 HA ASN 9 8.576 5.023 -2.524
77 HB2 ASN 9 HB2 ASN 9 7.164 5.636 0.096
78 HB3 ASN 9 HB3 ASN 9 8.638 6.491 -0.337
79 HD21 ASN 9 HD21 ASN 9 6.302 7.938 0.108
80 HD22 ASN 9 HD22 ASN 9 5.891 8.604 -1.450
81 H GLY 10 H GLY 10 10.010 2.909 -2.363
82 HA2 GLY 10 HA2 GLY 10 11.382 2.749 0.199
83 HA3 GLY 10 HA3 GLY 10 11.480 1.581 -1.090
84 H LYS 11 H LYS 11 13.502 2.549 0.442
85 HA LYS 11 HA LYS 11 15.168 4.504 -0.887
86 HB2 LYS 11 HB2 LYS 11 15.686 2.343 1.201
87 HB3 LYS 11 HB3 LYS 11 16.917 3.511 0.693
88 HG2 LYS 11 HG2 LYS 11 15.726 5.369 1.569
89 HG3 LYS 11 HG3 LYS 11 14.207 4.490 1.611
90 HD2 LYS 11 HD2 LYS 11 15.030 4.804 3.838
91 HD3 LYS 11 HD3 LYS 11 14.913 3.094 3.426
92 HE2 LYS 11 HE2 LYS 11 16.925 3.423 4.675
93 HE3 LYS 11 HE3 LYS 11 17.348 3.007 3.014
94 HZ1 LYS 11 HZ1 LYS 11 18.689 4.799 3.798
95 HZ2 LYS 11 HZ2 LYS 11 17.378 5.688 4.245
96 HZ3 LYS 11 HZ3 LYS 11 17.695 5.432 2.639
97 H THR 12 H THR 12 14.475 1.184 -1.576
98 HA THR 12 HA THR 12 16.806 1.143 -3.454
99 HB THR 12 HB THR 12 16.981 -1.288 -2.999
100 HG1 THR 12 HG1 THR 12 15.281 -1.986 -2.013
101 HG21 THR 12 HG21 THR 12 18.212 -1.052 -0.911
102 HG22 THR 12 HG22 THR 12 17.411 0.481 -0.552
103 HG23 THR 12 HG23 THR 12 18.491 0.343 -1.963
104 H LEU 13 H LEU 13 13.397 0.127 -2.909
105 HA LEU 13 HA LEU 13 13.134 -0.195 -5.860
106 HB2 LEU 13 HB2 LEU 13 13.266 -2.426 -5.036
107 HB3 LEU 13 HB3 LEU 13 12.218 -2.109 -3.661
108 HG LEU 13 HG LEU 13 11.176 -1.811 -6.501
109 HD11 LEU 13 HD11 LEU 13 11.354 -4.394 -4.872
110 HD12 LEU 13 HD12 LEU 13 12.169 -4.063 -6.395
111 HD13 LEU 13 HD13 LEU 13 10.421 -4.204 -6.373
112 HD21 LEU 13 HD21 LEU 13 9.029 -2.664 -5.382
113 HD22 LEU 13 HD22 LEU 13 9.516 -1.092 -4.806
114 HD23 LEU 13 HD23 LEU 13 9.876 -2.499 -3.830
115 H LYS 14 H LYS 14 11.110 0.630 -6.582
116 HA LYS 14 HA LYS 14 9.162 1.569 -4.567
117 HB2 LYS 14 HB2 LYS 14 10.509 3.312 -6.682
118 HB3 LYS 14 HB3 LYS 14 8.982 3.689 -5.857
119 HG2 LYS 14 HG2 LYS 14 9.903 4.183 -3.890
120 HG3 LYS 14 HG3 LYS 14 11.273 3.100 -4.071
121 HD2 LYS 14 HD2 LYS 14 11.011 5.691 -5.602
122 HD3 LYS 14 HD3 LYS 14 11.811 5.518 -4.013
123 HE2 LYS 14 HE2 LYS 14 13.343 3.838 -4.891
124 HE3 LYS 14 HE3 LYS 14 12.588 3.929 -6.496
125 HZ1 LYS 14 HZ1 LYS 14 13.944 6.177 -5.120
126 HZ2 LYS 14 HZ2 LYS 14 13.287 6.219 -6.638
127 HZ3 LYS 14 HZ3 LYS 14 14.593 5.283 -6.343
128 H GLY 15 H GLY 15 7.063 2.052 -5.639
129 HA2 GLY 15 HA2 GLY 15 6.477 1.677 -8.357
130 HA3 GLY 15 HA3 GLY 15 6.417 0.067 -7.633
131 H GLU 16 H GLU 16 4.035 1.075 -8.709
132 HA GLU 16 HA GLU 16 2.455 1.556 -6.247
133 HB2 GLU 16 HB2 GLU 16 2.061 2.902 -8.953
134 HB3 GLU 16 HB3 GLU 16 0.902 2.901 -7.626
135 HG2 GLU 16 HG2 GLU 16 1.845 4.841 -7.068
136 HG3 GLU 16 HG3 GLU 16 3.036 3.836 -6.255
137 H THR 17 H THR 17 0.423 0.691 -6.299
138 HA THR 17 HA THR 17 -0.415 -1.045 -8.478
139 HB THR 17 HB THR 17 1.158 -2.464 -7.146
140 HG1 THR 17 HG1 THR 17 -0.746 -3.305 -8.210
141 HG21 THR 17 HG21 THR 17 0.447 -3.363 -4.934
142 HG22 THR 17 HG22 THR 17 -0.878 -2.203 -4.878
143 HG23 THR 17 HG23 THR 17 0.806 -1.646 -4.857
144 H THR 18 H THR 18 -2.609 -1.941 -7.959
145 HA THR 18 HA THR 18 -4.106 -0.399 -5.987
146 HB THR 18 HB THR 18 -5.922 -0.328 -7.905
147 HG1 THR 18 HG1 THR 18 -4.598 -1.460 -9.479
148 HG21 THR 18 HG21 THR 18 -3.459 1.445 -8.015
149 HG22 THR 18 HG22 THR 18 -4.833 1.663 -6.906
150 HG23 THR 18 HG23 THR 18 -5.080 1.867 -8.647
151 H THR 19 H THR 19 -5.948 -1.603 -5.207
152 HA THR 19 HA THR 19 -6.318 -4.307 -6.185
153 HB THR 19 HB THR 19 -4.396 -4.263 -4.384
154 HG1 THR 19 HG1 THR 19 -5.051 -6.162 -5.001
155 HG21 THR 19 HG21 THR 19 -6.783 -4.382 -2.494
156 HG22 THR 19 HG22 THR 19 -5.782 -2.928 -2.700
157 HG23 THR 19 HG23 THR 19 -5.053 -4.419 -2.090
158 H GLU 20 H GLU 20 -8.410 -5.121 -5.383
159 HA GLU 20 HA GLU 20 -10.184 -2.867 -4.544
160 HB2 GLU 20 HB2 GLU 20 -10.720 -5.411 -6.127
161 HB3 GLU 20 HB3 GLU 20 -11.979 -4.314 -5.509
162 HG2 GLU 20 HG2 GLU 20 -10.742 -2.412 -6.640
163 HG3 GLU 20 HG3 GLU 20 -9.706 -3.597 -7.427
164 H ALA 21 H ALA 21 -10.692 -2.875 -2.449
165 HA ALA 21 HA ALA 21 -10.737 -5.498 -1.031
166 HB1 ALA 21 HB1 ALA 21 -8.628 -4.273 -0.540
167 HB2 ALA 21 HB2 ALA 21 -9.621 -2.906 0.043
168 HB3 ALA 21 HB3 ALA 21 -9.677 -4.462 0.883
169 H VAL 22 H VAL 22 -12.108 -5.638 0.671
170 HA VAL 22 HA VAL 22 -14.598 -4.319 0.410
171 HB VAL 22 HB VAL 22 -14.333 -6.596 1.156
172 HG11 VAL 22 HG11 VAL 22 -13.601 -7.250 3.381
173 HG12 VAL 22 HG12 VAL 22 -12.287 -6.450 2.523
174 HG13 VAL 22 HG13 VAL 22 -13.205 -5.583 3.797
175 HG21 VAL 22 HG21 VAL 22 -15.671 -4.962 3.334
176 HG22 VAL 22 HG22 VAL 22 -16.382 -5.399 1.761
177 HG23 VAL 22 HG23 VAL 22 -15.983 -6.660 2.932
178 H ASP 23 H ASP 23 -11.922 -3.886 2.754
179 HA ASP 23 HA ASP 23 -12.965 -1.211 3.505
180 HB2 ASP 23 HB2 ASP 23 -12.125 -3.385 5.458
181 HB3 ASP 23 HB3 ASP 23 -12.495 -1.703 5.858
182 H ALA 24 H ALA 24 -11.265 0.074 4.530
183 HA ALA 24 HA ALA 24 -8.781 -0.031 3.222
184 HB1 ALA 24 HB1 ALA 24 -9.700 2.006 4.266
185 HB2 ALA 24 HB2 ALA 24 -9.543 1.272 5.879
186 HB3 ALA 24 HB3 ALA 24 -8.103 1.662 4.934
187 H ALA 25 H ALA 25 -9.866 -1.454 6.276
188 HA ALA 25 HA ALA 25 -7.389 -2.247 7.353
189 HB1 ALA 25 HB1 ALA 25 -9.622 -2.232 8.500
190 HB2 ALA 25 HB2 ALA 25 -10.075 -3.683 7.573
191 HB3 ALA 25 HB3 ALA 25 -8.721 -3.727 8.724
192 H THR 26 H THR 26 -9.483 -3.938 4.961
193 HA THR 26 HA THR 26 -7.726 -6.252 4.867
194 HB THR 26 HB THR 26 -9.841 -5.378 2.895
195 HG1 THR 26 HG1 THR 26 -11.282 -6.565 4.194
196 HG21 THR 26 HG21 THR 26 -8.721 -8.104 3.608
197 HG22 THR 26 HG22 THR 26 -8.493 -7.243 2.076
198 HG23 THR 26 HG23 THR 26 -10.103 -7.838 2.522
199 H ALA 27 H ALA 27 -8.219 -3.257 2.947
200 HA ALA 27 HA ALA 27 -6.508 -3.871 0.787
201 HB1 ALA 27 HB1 ALA 27 -8.026 -1.830 1.004
202 HB2 ALA 27 HB2 ALA 27 -6.850 -1.143 2.121
203 HB3 ALA 27 HB3 ALA 27 -6.378 -1.468 0.443
204 H GLU 28 H GLU 28 -5.815 -2.391 3.967
205 HA GLU 28 HA GLU 28 -3.095 -1.952 3.644
206 HB2 GLU 28 HB2 GLU 28 -4.675 -1.152 5.496
207 HB3 GLU 28 HB3 GLU 28 -4.483 -2.752 6.219
208 HG2 GLU 28 HG2 GLU 28 -1.873 -2.127 6.020
209 HG3 GLU 28 HG3 GLU 28 -2.502 -0.479 5.971
210 H LYS 29 H LYS 29 -4.767 -4.951 4.691
211 HA LYS 29 HA LYS 29 -2.350 -6.373 5.439
212 HB2 LYS 29 HB2 LYS 29 -5.019 -7.439 4.403
213 HB3 LYS 29 HB3 LYS 29 -3.750 -8.426 5.110
214 HG2 LYS 29 HG2 LYS 29 -4.057 -7.503 7.283
215 HG3 LYS 29 HG3 LYS 29 -5.000 -6.146 6.665
216 HD2 LYS 29 HD2 LYS 29 -6.725 -7.855 5.832
217 HD3 LYS 29 HD3 LYS 29 -5.826 -9.062 6.780
218 HE2 LYS 29 HE2 LYS 29 -6.126 -7.584 8.785
219 HE3 LYS 29 HE3 LYS 29 -7.088 -6.489 7.781
220 HZ1 LYS 29 HZ1 LYS 29 -8.454 -7.942 9.085
221 HZ2 LYS 29 HZ2 LYS 29 -7.817 -9.283 8.410
222 HZ3 LYS 29 HZ3 LYS 29 -8.728 -8.250 7.507
223 H VAL 30 H VAL 30 -4.381 -6.399 2.478
224 HA VAL 30 HA VAL 30 -2.721 -8.151 0.992
225 HB VAL 30 HB VAL 30 -4.697 -5.980 0.200
226 HG11 VAL 30 HG11 VAL 30 -4.733 -6.887 -2.081
227 HG12 VAL 30 HG12 VAL 30 -3.164 -6.157 -1.740
228 HG13 VAL 30 HG13 VAL 30 -3.352 -7.927 -1.730
229 HG21 VAL 30 HG21 VAL 30 -5.525 -8.031 1.317
230 HG22 VAL 30 HG22 VAL 30 -6.044 -8.000 -0.377
231 HG23 VAL 30 HG23 VAL 30 -4.673 -9.025 0.120
232 H PHE 31 H PHE 31 -2.632 -4.565 1.204
233 HA PHE 31 HA PHE 31 -0.389 -4.307 -0.545
234 HB2 PHE 31 HB2 PHE 31 -1.622 -2.531 1.574
235 HB3 PHE 31 HB3 PHE 31 -0.291 -2.018 0.566
236 HD1 PHE 31 HD1 PHE 31 -1.475 -3.553 -2.078
237 HD2 PHE 31 HD2 PHE 31 -2.981 -0.681 0.790
238 HE1 PHE 31 HE1 PHE 31 -2.916 -2.614 -3.793
239 HE2 PHE 31 HE2 PHE 31 -4.411 0.281 -0.982
240 HZ PHE 31 HZ PHE 31 -4.397 -0.698 -3.280
241 H LYS 32 H LYS 32 -0.561 -4.691 3.045
242 HA LYS 32 HA LYS 32 2.218 -4.245 3.532
243 HB2 LYS 32 HB2 LYS 32 0.007 -5.697 4.962
244 HB3 LYS 32 HB3 LYS 32 1.635 -6.236 5.287
245 HG2 LYS 32 HG2 LYS 32 1.869 -3.427 5.394
246 HG3 LYS 32 HG3 LYS 32 0.311 -3.744 6.150
247 HD2 LYS 32 HD2 LYS 32 1.341 -5.244 7.760
248 HD3 LYS 32 HD3 LYS 32 2.879 -5.231 6.866
249 HE2 LYS 32 HE2 LYS 32 3.113 -2.806 7.228
250 HE3 LYS 32 HE3 LYS 32 1.644 -2.796 8.222
251 HZ1 LYS 32 HZ1 LYS 32 3.968 -4.509 8.841
252 HZ2 LYS 32 HZ2 LYS 32 2.731 -4.044 9.859
253 HZ3 LYS 32 HZ3 LYS 32 3.887 -2.968 9.333
254 H GLN 33 H GLN 33 0.494 -7.245 2.647
255 HA GLN 33 HA GLN 33 2.821 -8.811 2.600
256 HB2 GLN 33 HB2 GLN 33 0.273 -9.483 2.535
257 HB3 GLN 33 HB3 GLN 33 0.414 -9.220 0.799
258 HG2 GLN 33 HG2 GLN 33 0.868 -11.503 1.014
259 HG3 GLN 33 HG3 GLN 33 2.481 -10.800 0.915
260 HE21 GLN 33 HE21 GLN 33 3.842 -10.917 2.841
261 HE22 GLN 33 HE22 GLN 33 3.352 -11.939 4.190
262 H TYR 34 H TYR 34 1.178 -6.871 0.088
263 HA TYR 34 HA TYR 34 2.795 -7.726 -2.114
264 HB2 TYR 34 HB2 TYR 34 0.632 -6.338 -2.119
265 HB3 TYR 34 HB3 TYR 34 1.642 -4.935 -1.806
266 HD1 TYR 34 HD2 TYR 34 3.200 -4.082 -3.578
267 HD2 TYR 34 HD1 TYR 34 0.632 -7.479 -4.263
268 HE1 TYR 34 HE2 TYR 34 3.487 -3.797 -6.009
269 HE2 TYR 34 HE1 TYR 34 0.875 -7.175 -6.707
270 HH TYR 34 HH TYR 34 3.162 -4.926 -8.145
271 H ALA 35 H ALA 35 3.216 -5.031 0.156
272 HA ALA 35 HA ALA 35 5.609 -3.996 -1.054
273 HB1 ALA 35 HB1 ALA 35 4.162 -2.716 0.446
274 HB2 ALA 35 HB2 ALA 35 4.637 -3.785 1.801
275 HB3 ALA 35 HB3 ALA 35 5.833 -2.723 1.031
276 H ASN 36 H ASN 36 5.126 -6.092 1.773
277 HA ASN 36 HA ASN 36 7.854 -6.566 2.357
278 HB2 ASN 36 HB2 ASN 36 6.966 -7.671 4.056
279 HB3 ASN 36 HB3 ASN 36 5.367 -7.552 3.349
280 HD21 ASN 36 HD21 ASN 36 4.982 -9.313 1.502
281 HD22 ASN 36 HD22 ASN 36 5.610 -10.883 1.822
282 H ASP 37 H ASP 37 5.740 -8.036 -0.107
283 HA ASP 37 HA ASP 37 7.463 -10.201 -0.756
284 HB2 ASP 37 HB2 ASP 37 5.056 -10.017 -1.455
285 HB3 ASP 37 HB3 ASP 37 5.537 -8.789 -2.622
286 H ASN 38 H ASN 38 7.287 -6.832 -1.778
287 HA ASN 38 HA ASN 38 9.463 -7.061 -3.767
288 HB2 ASN 38 HB2 ASN 38 7.967 -4.642 -2.637
289 HB3 ASN 38 HB3 ASN 38 9.256 -4.577 -3.820
290 HD21 ASN 38 HD21 ASN 38 5.925 -5.684 -3.330
291 HD22 ASN 38 HD22 ASN 38 5.533 -5.775 -4.997
292 H GLY 39 H GLY 39 9.336 -6.974 -0.394
293 HA2 GLY 39 HA2 GLY 39 10.966 -6.722 1.207
294 HA3 GLY 39 HA3 GLY 39 12.143 -6.393 -0.089
295 H VAL 40 H VAL 40 9.079 -4.652 0.618
296 HA VAL 40 HA VAL 40 10.635 -2.217 1.363
297 HB VAL 40 HB VAL 40 7.829 -2.455 0.236
298 HG11 VAL 40 HG11 VAL 40 7.909 -0.033 -0.015
299 HG12 VAL 40 HG12 VAL 40 8.124 -0.490 1.657
300 HG13 VAL 40 HG13 VAL 40 9.544 0.006 0.712
301 HG21 VAL 40 HG21 VAL 40 10.283 -1.474 -1.279
302 HG22 VAL 40 HG22 VAL 40 9.482 -3.064 -1.507
303 HG23 VAL 40 HG23 VAL 40 8.610 -1.582 -1.873
304 H ASP 41 H ASP 41 10.354 -1.667 3.447
305 HA ASP 41 HA ASP 41 7.745 -1.958 4.681
306 HB2 ASP 41 HB2 ASP 41 8.694 -4.181 5.109
307 HB3 ASP 41 HB3 ASP 41 10.120 -3.421 5.827
308 H GLY 42 H GLY 42 7.599 0.095 5.190
309 HA2 GLY 42 HA2 GLY 42 9.698 1.403 6.820
310 HA3 GLY 42 HA3 GLY 42 9.066 2.166 5.345
311 H GLU 43 H GLU 43 8.322 3.876 6.630
312 HA GLU 43 HA GLU 43 6.254 3.394 8.657
313 HB2 GLU 43 HB2 GLU 43 7.953 5.279 8.788
314 HB3 GLU 43 HB3 GLU 43 7.097 6.082 7.468
315 HG2 GLU 43 HG2 GLU 43 5.034 6.149 8.864
316 HG3 GLU 43 HG3 GLU 43 5.861 5.264 10.145
317 H TRP 44 H TRP 44 4.294 2.841 8.060
318 HA TRP 44 HA TRP 44 3.269 3.261 5.365
319 HB2 TRP 44 HB2 TRP 44 2.224 1.815 7.814
320 HB3 TRP 44 HB3 TRP 44 1.324 1.931 6.319
321 HD1 TRP 44 HD1 TRP 44 4.664 0.461 7.596
322 HE1 TRP 44 HE1 TRP 44 5.386 -1.497 6.166
323 HE3 TRP 44 HE3 TRP 44 0.879 0.566 4.181
324 HZ2 TRP 44 HZ2 TRP 44 4.500 -2.794 3.759
325 HZ3 TRP 44 HZ3 TRP 44 0.896 -0.998 2.253
326 HH2 TRP 44 HH2 TRP 44 2.651 -2.675 2.034
327 H THR 45 H THR 45 1.646 4.714 4.826
328 HA THR 45 HA THR 45 0.301 6.311 6.929
329 HB THR 45 HB THR 45 0.590 8.293 5.587
330 HG1 THR 45 HG1 THR 45 1.919 7.978 3.593
331 HG21 THR 45 HG21 THR 45 2.626 7.584 6.929
332 HG22 THR 45 HG22 THR 45 2.972 8.620 5.529
333 HG23 THR 45 HG23 THR 45 3.281 6.873 5.431
334 H TYR 46 H TYR 46 -1.754 7.525 5.836
335 HA TYR 46 HA TYR 46 -2.974 5.860 3.728
336 HB2 TYR 46 HB2 TYR 46 -3.674 4.813 5.832
337 HB3 TYR 46 HB3 TYR 46 -4.178 6.377 6.466
338 HD1 TYR 46 HD1 TYR 46 -4.781 4.396 3.292
339 HD2 TYR 46 HD2 TYR 46 -6.511 6.599 6.569
340 HE1 TYR 46 HE1 TYR 46 -7.014 4.080 2.306
341 HE2 TYR 46 HE2 TYR 46 -8.765 6.234 5.629
342 HH TYR 46 HH TYR 46 -9.923 5.651 3.683
343 H ASP 47 H ASP 47 -4.085 7.068 2.344
344 HA ASP 47 HA ASP 47 -4.738 9.921 2.924
345 HB2 ASP 47 HB2 ASP 47 -3.725 8.655 0.341
346 HB3 ASP 47 HB3 ASP 47 -4.402 10.267 0.463
347 H ASP 48 H ASP 48 -6.800 9.022 3.622
348 HA ASP 48 HA ASP 48 -8.523 7.295 2.262
349 HB2 ASP 48 HB2 ASP 48 -8.780 8.366 4.559
350 HB3 ASP 48 HB3 ASP 48 -9.395 9.789 3.763
351 H ALA 49 H ALA 49 -7.938 10.614 1.805
352 HA ALA 49 HA ALA 49 -9.952 11.645 0.195
353 HB1 ALA 49 HB1 ALA 49 -8.275 13.233 -0.586
354 HB2 ALA 49 HB2 ALA 49 -7.904 12.826 1.093
355 HB3 ALA 49 HB3 ALA 49 -6.962 12.071 -0.209
356 H THR 50 H THR 50 -7.462 9.345 -0.778
357 HA THR 50 HA THR 50 -8.651 9.027 -3.442
358 HB THR 50 HB THR 50 -6.883 10.584 -3.886
359 HG1 THR 50 HG1 THR 50 -5.631 9.321 -5.297
360 HG21 THR 50 HG21 THR 50 -4.451 9.914 -3.354
361 HG22 THR 50 HG22 THR 50 -5.160 8.812 -2.147
362 HG23 THR 50 HG23 THR 50 -5.438 10.549 -2.030
363 H LYS 51 H LYS 51 -8.507 7.796 -0.637
364 HA LYS 51 HA LYS 51 -7.967 5.919 0.482
365 HB2 LYS 51 HB2 LYS 51 -9.211 3.960 -0.528
366 HB3 LYS 51 HB3 LYS 51 -10.124 5.433 -0.208
367 HG2 LYS 51 HG2 LYS 51 -10.138 6.043 -2.543
368 HG3 LYS 51 HG3 LYS 51 -8.941 4.823 -2.927
369 HD2 LYS 51 HD2 LYS 51 -11.131 4.032 -3.662
370 HD3 LYS 51 HD3 LYS 51 -10.626 3.044 -2.284
371 HE2 LYS 51 HE2 LYS 51 -12.955 3.632 -1.950
372 HE3 LYS 51 HE3 LYS 51 -11.994 4.546 -0.780
373 HZ1 LYS 51 HZ1 LYS 51 -13.192 5.546 -3.284
374 HZ2 LYS 51 HZ2 LYS 51 -12.095 6.415 -2.434
375 HZ3 LYS 51 HZ3 LYS 51 -13.505 6.040 -1.721
376 H THR 52 H THR 52 -5.746 6.662 -0.304
377 HA THR 52 HA THR 52 -4.355 4.387 -1.593
378 HB THR 52 HB THR 52 -3.678 7.346 -1.395
379 HG1 THR 52 HG1 THR 52 -5.320 6.527 -3.010
380 HG21 THR 52 HG21 THR 52 -1.878 6.841 -3.026
381 HG22 THR 52 HG22 THR 52 -2.143 5.098 -2.736
382 HG23 THR 52 HG23 THR 52 -1.567 6.172 -1.434
383 H PHE 53 H PHE 53 -2.315 3.838 -0.697
384 HA PHE 53 HA PHE 53 -1.764 4.550 2.148
385 HB2 PHE 53 HB2 PHE 53 -1.726 1.893 0.639
386 HB3 PHE 53 HB3 PHE 53 -0.866 2.120 2.131
387 HD1 PHE 53 HD2 PHE 53 -2.048 2.445 4.276
388 HD2 PHE 53 HD1 PHE 53 -4.108 1.812 0.578
389 HE1 PHE 53 HE2 PHE 53 -4.069 1.729 5.557
390 HE2 PHE 53 HE1 PHE 53 -6.171 1.079 1.854
391 HZ PHE 53 HZ PHE 53 -6.099 1.009 4.344
392 H THR 54 H THR 54 0.570 4.803 2.558
393 HA THR 54 HA THR 54 2.296 4.349 0.198
394 HB THR 54 HB THR 54 2.498 6.770 1.972
395 HG1 THR 54 HG1 THR 54 0.564 6.869 0.930
396 HG21 THR 54 HG21 THR 54 3.772 7.664 -0.016
397 HG22 THR 54 HG22 THR 54 3.811 6.016 -0.639
398 HG23 THR 54 HG23 THR 54 4.553 6.379 0.920
399 H VAL 55 H VAL 55 4.289 3.472 0.816
400 HA VAL 55 HA VAL 55 4.802 3.231 3.755
401 HB VAL 55 HB VAL 55 4.052 1.110 3.018
402 HG11 VAL 55 HG11 VAL 55 6.176 1.071 0.875
403 HG12 VAL 55 HG12 VAL 55 5.089 -0.254 1.336
404 HG13 VAL 55 HG13 VAL 55 4.428 1.221 0.601
405 HG21 VAL 55 HG21 VAL 55 6.026 -0.265 3.583
406 HG22 VAL 55 HG22 VAL 55 7.090 1.118 3.271
407 HG23 VAL 55 HG23 VAL 55 5.919 1.178 4.615
408 H THR 56 H THR 56 6.460 4.507 4.249
409 HA THR 56 HA THR 56 8.400 5.131 2.103
410 HB THR 56 HB THR 56 8.418 6.604 4.660
411 HG1 THR 56 HG1 THR 56 6.261 6.633 4.186
412 HG21 THR 56 HG21 THR 56 9.107 8.421 3.193
413 HG22 THR 56 HG22 THR 56 8.740 7.451 1.755
414 HG23 THR 56 HG23 THR 56 10.074 6.977 2.821
415 H GLU 57 H GLU 57 9.868 3.525 2.173
416 HA GLU 57 HA GLU 57 10.932 2.158 4.506
417 HB2 GLU 57 HB2 GLU 57 10.924 1.538 1.870
418 HB3 GLU 57 HB3 GLU 57 12.403 2.479 1.937
419 HG2 GLU 57 HG2 GLU 57 12.991 0.857 3.917
420 HG3 GLU 57 HG3 GLU 57 11.807 -0.174 3.073
Start of MODEL 18
1 H1 MET 1 H MET 1 -15.894 0.184 1.157
2 HA MET 1 HA MET 1 -14.074 -1.741 -0.119
3 HB2 MET 1 HB2 MET 1 -16.517 -2.423 0.202
4 HB3 MET 1 HB3 MET 1 -16.938 -1.210 -1.010
5 HG2 MET 1 HG2 MET 1 -15.845 -2.470 -2.744
6 HG3 MET 1 HG3 MET 1 -14.800 -3.251 -1.588
7 HE1 MET 1 HE1 MET 1 -14.831 -5.677 -2.015
8 HE2 MET 1 HE2 MET 1 -16.253 -6.488 -2.697
9 HE3 MET 1 HE3 MET 1 -15.517 -5.120 -3.550
10 H GLY 2 H GLY 2 -13.734 -1.410 -2.500
11 HA2 GLY 2 HA2 GLY 2 -14.252 0.307 -4.338
12 HA3 GLY 2 HA3 GLY 2 -13.556 1.453 -3.187
13 H THR 3 H THR 3 -12.232 1.445 -5.447
14 HA THR 3 HA THR 3 -10.092 -0.556 -5.476
15 HB THR 3 HB THR 3 -10.172 2.037 -7.003
16 HG1 THR 3 HG1 THR 3 -11.646 1.341 -8.206
17 HG21 THR 3 HG21 THR 3 -8.060 0.779 -7.113
18 HG22 THR 3 HG22 THR 3 -8.885 0.753 -8.682
19 HG23 THR 3 HG23 THR 3 -8.934 -0.676 -7.629
20 H TYR 4 H TYR 4 -8.509 -0.407 -4.066
21 HA TYR 4 HA TYR 4 -7.753 2.187 -2.832
22 HB2 TYR 4 HB2 TYR 4 -7.126 -0.695 -2.048
23 HB3 TYR 4 HB3 TYR 4 -6.527 0.754 -1.236
24 HD1 TYR 4 HD1 TYR 4 -7.948 2.297 -0.083
25 HD2 TYR 4 HD2 TYR 4 -9.476 -1.403 -1.657
26 HE1 TYR 4 HE1 TYR 4 -10.063 2.644 1.190
27 HE2 TYR 4 HE2 TYR 4 -11.598 -1.052 -0.449
28 HH TYR 4 HH TYR 4 -12.233 1.909 1.452
29 H LYS 5 H LYS 5 -5.388 2.574 -2.612
30 HA LYS 5 HA LYS 5 -3.736 1.315 -4.757
31 HB2 LYS 5 HB2 LYS 5 -4.757 3.398 -5.589
32 HB3 LYS 5 HB3 LYS 5 -4.062 4.268 -4.233
33 HG2 LYS 5 HG2 LYS 5 -1.740 3.667 -5.127
34 HG3 LYS 5 HG3 LYS 5 -2.556 2.963 -6.545
35 HD2 LYS 5 HD2 LYS 5 -3.729 5.195 -6.801
36 HD3 LYS 5 HD3 LYS 5 -2.674 5.805 -5.505
37 HE2 LYS 5 HE2 LYS 5 -1.336 4.507 -7.850
38 HE3 LYS 5 HE3 LYS 5 -2.170 6.025 -8.185
39 HZ1 LYS 5 HZ1 LYS 5 -0.866 7.126 -6.535
40 HZ2 LYS 5 HZ2 LYS 5 0.150 6.343 -7.525
41 HZ3 LYS 5 HZ3 LYS 5 -0.137 5.725 -6.063
42 H LEU 6 H LEU 6 -1.490 1.334 -4.435
43 HA LEU 6 HA LEU 6 -0.573 2.174 -1.731
44 HB2 LEU 6 HB2 LEU 6 -0.920 -0.192 -1.563
45 HB3 LEU 6 HB3 LEU 6 -0.142 -0.471 -3.119
46 HG LEU 6 HG LEU 6 2.048 0.374 -2.111
47 HD11 LEU 6 HD11 LEU 6 0.372 0.330 0.428
48 HD12 LEU 6 HD12 LEU 6 1.244 1.710 -0.265
49 HD13 LEU 6 HD13 LEU 6 2.152 0.364 0.401
50 HD21 LEU 6 HD21 LEU 6 0.640 -2.114 -1.165
51 HD22 LEU 6 HD22 LEU 6 2.286 -1.740 -0.642
52 HD23 LEU 6 HD23 LEU 6 1.911 -1.919 -2.364
53 H ILE 7 H ILE 7 1.172 3.382 -1.872
54 HA ILE 7 HA ILE 7 2.803 3.466 -4.361
55 HB ILE 7 HB ILE 7 2.487 5.579 -2.198
56 HG12 ILE 7 HG12 ILE 7 1.221 5.405 -4.955
57 HG13 ILE 7 HG13 ILE 7 0.379 5.340 -3.409
58 HG21 ILE 7 HG21 ILE 7 4.687 5.579 -3.428
59 HG22 ILE 7 HG22 ILE 7 3.799 5.763 -4.957
60 HG23 ILE 7 HG23 ILE 7 3.755 7.033 -3.713
61 HD11 ILE 7 HD11 ILE 7 0.040 7.533 -4.291
62 HD12 ILE 7 HD12 ILE 7 1.151 7.671 -2.921
63 HD13 ILE 7 HD13 ILE 7 1.766 7.763 -4.590
64 H LEU 8 H LEU 8 4.628 2.324 -4.118
65 HA LEU 8 HA LEU 8 5.714 1.692 -1.444
66 HB2 LEU 8 HB2 LEU 8 6.411 0.697 -4.230
67 HB3 LEU 8 HB3 LEU 8 7.172 0.157 -2.746
68 HG LEU 8 HG LEU 8 4.231 -0.146 -3.399
69 HD11 LEU 8 HD11 LEU 8 4.712 -2.490 -3.950
70 HD12 LEU 8 HD12 LEU 8 6.430 -2.265 -3.531
71 HD13 LEU 8 HD13 LEU 8 5.740 -1.447 -4.940
72 HD21 LEU 8 HD21 LEU 8 5.928 -1.262 -1.153
73 HD22 LEU 8 HD22 LEU 8 4.364 -1.958 -1.629
74 HD23 LEU 8 HD23 LEU 8 4.435 -0.290 -1.067
75 H ASN 9 H ASN 9 7.016 3.246 -0.743
76 HA ASN 9 HA ASN 9 8.894 4.628 -2.647
77 HB2 ASN 9 HB2 ASN 9 7.561 5.553 -0.083
78 HB3 ASN 9 HB3 ASN 9 9.054 6.285 -0.656
79 HD21 ASN 9 HD21 ASN 9 6.521 7.671 -0.337
80 HD22 ASN 9 HD22 ASN 9 6.159 8.246 -1.948
81 H GLY 10 H GLY 10 10.199 2.542 -2.448
82 HA2 GLY 10 HA2 GLY 10 11.389 2.206 0.178
83 HA3 GLY 10 HA3 GLY 10 11.625 1.140 -1.169
84 H LYS 11 H LYS 11 13.603 2.186 0.607
85 HA LYS 11 HA LYS 11 14.994 4.433 -0.535
86 HB2 LYS 11 HB2 LYS 11 16.225 2.138 1.071
87 HB3 LYS 11 HB3 LYS 11 16.896 3.749 0.850
88 HG2 LYS 11 HG2 LYS 11 14.508 2.932 2.515
89 HG3 LYS 11 HG3 LYS 11 16.016 3.626 3.056
90 HD2 LYS 11 HD2 LYS 11 13.893 5.086 1.427
91 HD3 LYS 11 HD3 LYS 11 14.185 5.204 3.158
92 HE2 LYS 11 HE2 LYS 11 16.332 6.186 2.889
93 HE3 LYS 11 HE3 LYS 11 16.264 6.027 1.118
94 HZ1 LYS 11 HZ1 LYS 11 14.591 7.628 1.011
95 HZ2 LYS 11 HZ2 LYS 11 15.585 8.239 2.174
96 HZ3 LYS 11 HZ3 LYS 11 14.201 7.485 2.620
97 H THR 12 H THR 12 14.828 1.064 -1.430
98 HA THR 12 HA THR 12 17.053 1.472 -3.367
99 HB THR 12 HB THR 12 17.371 -0.960 -3.182
100 HG1 THR 12 HG1 THR 12 16.216 -1.982 -1.472
101 HG21 THR 12 HG21 THR 12 18.338 -1.106 -0.977
102 HG22 THR 12 HG22 THR 12 17.305 0.185 -0.339
103 HG23 THR 12 HG23 THR 12 18.576 0.556 -1.510
104 H LEU 13 H LEU 13 13.620 0.270 -2.904
105 HA LEU 13 HA LEU 13 13.414 0.279 -5.878
106 HB2 LEU 13 HB2 LEU 13 13.761 -2.028 -5.188
107 HB3 LEU 13 HB3 LEU 13 12.463 -1.884 -3.989
108 HG LEU 13 HG LEU 13 10.810 -1.598 -5.781
109 HD11 LEU 13 HD11 LEU 13 12.104 -0.553 -7.582
110 HD12 LEU 13 HD12 LEU 13 11.369 -2.044 -8.138
111 HD13 LEU 13 HD13 LEU 13 13.102 -2.017 -7.736
112 HD21 LEU 13 HD21 LEU 13 12.566 -4.036 -6.200
113 HD22 LEU 13 HD22 LEU 13 10.845 -3.886 -6.588
114 HD23 LEU 13 HD23 LEU 13 11.370 -3.834 -4.900
115 H LYS 14 H LYS 14 11.377 0.969 -6.661
116 HA LYS 14 HA LYS 14 9.368 1.705 -4.638
117 HB2 LYS 14 HB2 LYS 14 10.381 3.641 -6.773
118 HB3 LYS 14 HB3 LYS 14 9.040 3.914 -5.691
119 HG2 LYS 14 HG2 LYS 14 10.423 4.935 -4.317
120 HG3 LYS 14 HG3 LYS 14 11.205 3.409 -3.972
121 HD2 LYS 14 HD2 LYS 14 12.003 5.387 -6.148
122 HD3 LYS 14 HD3 LYS 14 12.762 5.201 -4.571
123 HE2 LYS 14 HE2 LYS 14 14.254 4.006 -5.758
124 HE3 LYS 14 HE3 LYS 14 13.150 2.706 -5.326
125 HZ1 LYS 14 HZ1 LYS 14 13.412 4.126 -7.902
126 HZ2 LYS 14 HZ2 LYS 14 12.136 3.118 -7.621
127 HZ3 LYS 14 HZ3 LYS 14 13.681 2.547 -7.624
128 H GLY 15 H GLY 15 7.247 1.930 -5.565
129 HA2 GLY 15 HA2 GLY 15 6.682 1.452 -8.356
130 HA3 GLY 15 HA3 GLY 15 6.504 -0.012 -7.368
131 H GLU 16 H GLU 16 4.240 0.524 -8.398
132 HA GLU 16 HA GLU 16 2.569 1.651 -6.281
133 HB2 GLU 16 HB2 GLU 16 2.571 2.636 -9.173
134 HB3 GLU 16 HB3 GLU 16 1.118 2.698 -8.158
135 HG2 GLU 16 HG2 GLU 16 2.387 3.926 -6.433
136 HG3 GLU 16 HG3 GLU 16 3.767 4.065 -7.551
137 H THR 17 H THR 17 0.568 0.575 -6.146
138 HA THR 17 HA THR 17 -0.251 -1.268 -8.270
139 HB THR 17 HB THR 17 1.357 -2.564 -6.853
140 HG1 THR 17 HG1 THR 17 -0.155 -3.648 -7.954
141 HG21 THR 17 HG21 THR 17 0.561 -3.392 -4.624
142 HG22 THR 17 HG22 THR 17 -0.742 -2.200 -4.673
143 HG23 THR 17 HG23 THR 17 0.964 -1.671 -4.634
144 H THR 18 H THR 18 -2.476 -2.241 -7.636
145 HA THR 18 HA THR 18 -4.014 -0.530 -5.804
146 HB THR 18 HB THR 18 -5.777 -0.395 -7.684
147 HG1 THR 18 HG1 THR 18 -4.912 -1.881 -9.152
148 HG21 THR 18 HG21 THR 18 -4.823 1.557 -8.766
149 HG22 THR 18 HG22 THR 18 -3.188 1.100 -8.231
150 HG23 THR 18 HG23 THR 18 -4.428 1.562 -7.042
151 H THR 19 H THR 19 -5.936 -1.567 -5.031
152 HA THR 19 HA THR 19 -6.641 -4.127 -6.207
153 HB THR 19 HB THR 19 -4.781 -4.606 -4.540
154 HG1 THR 19 HG1 THR 19 -6.306 -6.106 -5.267
155 HG21 THR 19 HG21 THR 19 -6.939 -4.076 -2.452
156 HG22 THR 19 HG22 THR 19 -5.582 -3.003 -2.758
157 HG23 THR 19 HG23 THR 19 -5.273 -4.645 -2.175
158 H GLU 20 H GLU 20 -8.843 -4.664 -5.932
159 HA GLU 20 HA GLU 20 -10.457 -2.538 -4.659
160 HB2 GLU 20 HB2 GLU 20 -11.429 -4.962 -6.231
161 HB3 GLU 20 HB3 GLU 20 -12.380 -3.598 -5.624
162 HG2 GLU 20 HG2 GLU 20 -12.065 -3.013 -7.834
163 HG3 GLU 20 HG3 GLU 20 -10.773 -2.123 -7.026
164 H ALA 21 H ALA 21 -10.525 -2.861 -2.506
165 HA ALA 21 HA ALA 21 -10.696 -5.666 -1.457
166 HB1 ALA 21 HB1 ALA 21 -9.698 -4.824 0.581
167 HB2 ALA 21 HB2 ALA 21 -8.659 -4.347 -0.782
168 HB3 ALA 21 HB3 ALA 21 -9.775 -3.168 -0.036
169 H VAL 22 H VAL 22 -12.067 -5.997 0.284
170 HA VAL 22 HA VAL 22 -14.617 -4.746 0.097
171 HB VAL 22 HB VAL 22 -14.100 -7.115 0.653
172 HG11 VAL 22 HG11 VAL 22 -13.515 -6.116 3.478
173 HG12 VAL 22 HG12 VAL 22 -13.565 -7.782 2.900
174 HG13 VAL 22 HG13 VAL 22 -12.298 -6.714 2.321
175 HG21 VAL 22 HG21 VAL 22 -16.317 -6.329 0.944
176 HG22 VAL 22 HG22 VAL 22 -15.929 -7.408 2.291
177 HG23 VAL 22 HG23 VAL 22 -15.949 -5.649 2.556
178 H ASP 23 H ASP 23 -11.949 -4.397 2.522
179 HA ASP 23 HA ASP 23 -13.101 -1.830 3.353
180 HB2 ASP 23 HB2 ASP 23 -12.977 -4.326 5.045
181 HB3 ASP 23 HB3 ASP 23 -12.446 -2.817 5.797
182 H ALA 24 H ALA 24 -11.549 -0.703 4.800
183 HA ALA 24 HA ALA 24 -9.057 -0.404 3.581
184 HB1 ALA 24 HB1 ALA 24 -8.591 1.018 5.567
185 HB2 ALA 24 HB2 ALA 24 -10.217 1.306 4.896
186 HB3 ALA 24 HB3 ALA 24 -10.017 0.349 6.379
187 H ALA 25 H ALA 25 -10.003 -2.344 6.439
188 HA ALA 25 HA ALA 25 -7.341 -2.866 7.304
189 HB1 ALA 25 HB1 ALA 25 -8.348 -4.728 8.585
190 HB2 ALA 25 HB2 ALA 25 -9.290 -3.239 8.766
191 HB3 ALA 25 HB3 ALA 25 -9.874 -4.540 7.693
192 H THR 26 H THR 26 -9.611 -4.762 5.218
193 HA THR 26 HA THR 26 -7.866 -6.883 4.657
194 HB THR 26 HB THR 26 -9.859 -5.997 2.617
195 HG1 THR 26 HG1 THR 26 -10.639 -6.911 5.206
196 HG21 THR 26 HG21 THR 26 -10.423 -8.344 2.608
197 HG22 THR 26 HG22 THR 26 -9.556 -8.635 4.136
198 HG23 THR 26 HG23 THR 26 -8.658 -8.233 2.665
199 H ALA 27 H ALA 27 -8.389 -3.728 3.001
200 HA ALA 27 HA ALA 27 -6.704 -4.272 0.815
201 HB1 ALA 27 HB1 ALA 27 -7.090 -1.544 2.189
202 HB2 ALA 27 HB2 ALA 27 -6.644 -1.835 0.495
203 HB3 ALA 27 HB3 ALA 27 -8.265 -2.232 1.089
204 H GLU 28 H GLU 28 -6.022 -2.633 3.938
205 HA GLU 28 HA GLU 28 -3.312 -2.096 3.633
206 HB2 GLU 28 HB2 GLU 28 -4.692 -1.131 5.363
207 HB3 GLU 28 HB3 GLU 28 -5.059 -2.707 6.052
208 HG2 GLU 28 HG2 GLU 28 -2.794 -2.994 6.814
209 HG3 GLU 28 HG3 GLU 28 -2.277 -1.521 5.984
210 H LYS 29 H LYS 29 -4.854 -5.077 4.889
211 HA LYS 29 HA LYS 29 -2.382 -6.353 5.599
212 HB2 LYS 29 HB2 LYS 29 -5.171 -7.385 4.866
213 HB3 LYS 29 HB3 LYS 29 -3.863 -8.479 5.315
214 HG2 LYS 29 HG2 LYS 29 -3.592 -7.424 7.474
215 HG3 LYS 29 HG3 LYS 29 -4.794 -6.194 7.110
216 HD2 LYS 29 HD2 LYS 29 -5.323 -9.182 7.323
217 HD3 LYS 29 HD3 LYS 29 -5.687 -7.957 8.562
218 HE2 LYS 29 HE2 LYS 29 -7.196 -6.818 6.951
219 HE3 LYS 29 HE3 LYS 29 -6.939 -8.160 5.812
220 HZ1 LYS 29 HZ1 LYS 29 -8.967 -8.365 7.170
221 HZ2 LYS 29 HZ2 LYS 29 -8.046 -8.483 8.528
222 HZ3 LYS 29 HZ3 LYS 29 -7.958 -9.643 7.363
223 H VAL 30 H VAL 30 -4.348 -6.476 2.589
224 HA VAL 30 HA VAL 30 -2.630 -8.317 1.237
225 HB VAL 30 HB VAL 30 -4.679 -6.252 0.348
226 HG11 VAL 30 HG11 VAL 30 -3.132 -6.278 -1.541
227 HG12 VAL 30 HG12 VAL 30 -3.067 -8.053 -1.505
228 HG13 VAL 30 HG13 VAL 30 -4.568 -7.209 -1.953
229 HG21 VAL 30 HG21 VAL 30 -5.887 -8.294 -0.282
230 HG22 VAL 30 HG22 VAL 30 -4.526 -9.299 0.246
231 HG23 VAL 30 HG23 VAL 30 -5.446 -8.343 1.432
232 H PHE 31 H PHE 31 -2.695 -4.710 1.338
233 HA PHE 31 HA PHE 31 -0.464 -4.419 -0.367
234 HB2 PHE 31 HB2 PHE 31 -1.689 -2.647 1.762
235 HB3 PHE 31 HB3 PHE 31 -0.359 -2.137 0.750
236 HD1 PHE 31 HD1 PHE 31 -1.293 -3.423 -1.981
237 HD2 PHE 31 HD2 PHE 31 -3.292 -1.130 1.074
238 HE1 PHE 31 HE1 PHE 31 -2.762 -2.472 -3.674
239 HE2 PHE 31 HE2 PHE 31 -4.725 -0.103 -0.666
240 HZ PHE 31 HZ PHE 31 -4.450 -0.761 -3.063
241 H LYS 32 H LYS 32 -0.556 -4.787 3.227
242 HA LYS 32 HA LYS 32 2.253 -4.310 3.566
243 HB2 LYS 32 HB2 LYS 32 0.144 -5.773 5.166
244 HB3 LYS 32 HB3 LYS 32 1.831 -6.161 5.481
245 HG2 LYS 32 HG2 LYS 32 1.950 -3.412 5.419
246 HG3 LYS 32 HG3 LYS 32 0.328 -3.655 6.057
247 HD2 LYS 32 HD2 LYS 32 1.188 -4.954 7.886
248 HD3 LYS 32 HD3 LYS 32 2.791 -5.090 7.184
249 HE2 LYS 32 HE2 LYS 32 1.966 -2.273 7.467
250 HE3 LYS 32 HE3 LYS 32 1.983 -3.124 9.020
251 HZ1 LYS 32 HZ1 LYS 32 4.092 -2.082 8.486
252 HZ2 LYS 32 HZ2 LYS 32 4.231 -2.942 7.105
253 HZ3 LYS 32 HZ3 LYS 32 4.314 -3.705 8.541
254 H GLN 33 H GLN 33 0.499 -7.300 2.882
255 HA GLN 33 HA GLN 33 2.728 -9.018 2.851
256 HB2 GLN 33 HB2 GLN 33 0.516 -9.920 3.026
257 HB3 GLN 33 HB3 GLN 33 -0.049 -9.030 1.619
258 HG2 GLN 33 HG2 GLN 33 0.112 -11.282 0.954
259 HG3 GLN 33 HG3 GLN 33 1.430 -10.417 0.161
260 HE21 GLN 33 HE21 GLN 33 3.583 -10.707 0.960
261 HE22 GLN 33 HE22 GLN 33 3.984 -12.295 1.630
262 H TYR 34 H TYR 34 1.215 -6.954 0.334
263 HA TYR 34 HA TYR 34 2.853 -7.891 -1.810
264 HB2 TYR 34 HB2 TYR 34 0.610 -6.684 -1.947
265 HB3 TYR 34 HB3 TYR 34 1.489 -5.192 -1.606
266 HD1 TYR 34 HD1 TYR 34 0.989 -7.949 -4.029
267 HD2 TYR 34 HD2 TYR 34 2.926 -4.161 -3.304
268 HE1 TYR 34 HE1 TYR 34 1.569 -7.791 -6.429
269 HE2 TYR 34 HE2 TYR 34 3.479 -3.988 -5.698
270 HH TYR 34 HH TYR 34 3.034 -6.654 -7.948
271 H ALA 35 H ALA 35 3.095 -4.951 0.292
272 HA ALA 35 HA ALA 35 5.407 -3.890 -0.951
273 HB1 ALA 35 HB1 ALA 35 4.513 -3.807 1.940
274 HB2 ALA 35 HB2 ALA 35 5.685 -2.695 1.194
275 HB3 ALA 35 HB3 ALA 35 4.007 -2.683 0.640
276 H ASN 36 H ASN 36 5.111 -6.222 1.815
277 HA ASN 36 HA ASN 36 7.923 -6.490 2.146
278 HB2 ASN 36 HB2 ASN 36 7.147 -7.539 3.961
279 HB3 ASN 36 HB3 ASN 36 5.543 -7.758 3.276
280 HD21 ASN 36 HD21 ASN 36 5.236 -9.538 1.762
281 HD22 ASN 36 HD22 ASN 36 6.274 -10.927 1.758
282 H ASP 37 H ASP 37 5.621 -8.020 -0.128
283 HA ASP 37 HA ASP 37 7.342 -10.105 -0.999
284 HB2 ASP 37 HB2 ASP 37 4.843 -9.926 -1.420
285 HB3 ASP 37 HB3 ASP 37 5.209 -8.699 -2.647
286 H ASN 38 H ASN 38 7.271 -6.693 -1.651
287 HA ASN 38 HA ASN 38 9.263 -6.926 -3.865
288 HB2 ASN 38 HB2 ASN 38 7.739 -4.518 -2.781
289 HB3 ASN 38 HB3 ASN 38 8.927 -4.477 -4.079
290 HD21 ASN 38 HD21 ASN 38 5.717 -5.715 -3.168
291 HD22 ASN 38 HD22 ASN 38 5.140 -5.890 -4.773
292 H GLY 39 H GLY 39 9.251 -6.835 -0.505
293 HA2 GLY 39 HA2 GLY 39 10.934 -6.648 1.015
294 HA3 GLY 39 HA3 GLY 39 12.065 -6.182 -0.265
295 H VAL 40 H VAL 40 8.953 -4.543 0.505
296 HA VAL 40 HA VAL 40 10.451 -2.120 1.335
297 HB VAL 40 HB VAL 40 7.661 -2.346 0.176
298 HG11 VAL 40 HG11 VAL 40 9.528 0.025 0.596
299 HG12 VAL 40 HG12 VAL 40 7.954 0.100 -0.212
300 HG13 VAL 40 HG13 VAL 40 8.038 -0.332 1.508
301 HG21 VAL 40 HG21 VAL 40 10.218 -1.678 -1.329
302 HG22 VAL 40 HG22 VAL 40 9.166 -3.096 -1.573
303 HG23 VAL 40 HG23 VAL 40 8.562 -1.490 -1.951
304 H ASP 41 H ASP 41 10.231 -1.716 3.464
305 HA ASP 41 HA ASP 41 7.685 -2.140 4.830
306 HB2 ASP 41 HB2 ASP 41 8.741 -4.246 5.275
307 HB3 ASP 41 HB3 ASP 41 10.271 -3.466 5.661
308 H GLY 42 H GLY 42 7.459 -0.012 5.222
309 HA2 GLY 42 HA2 GLY 42 9.587 1.385 6.740
310 HA3 GLY 42 HA3 GLY 42 8.870 2.096 5.274
311 H GLU 43 H GLU 43 8.169 3.841 6.418
312 HA GLU 43 HA GLU 43 6.191 3.490 8.555
313 HB2 GLU 43 HB2 GLU 43 7.860 5.383 8.582
314 HB3 GLU 43 HB3 GLU 43 7.032 6.065 7.192
315 HG2 GLU 43 HG2 GLU 43 4.924 5.442 8.992
316 HG3 GLU 43 HG3 GLU 43 6.233 5.872 10.061
317 H TRP 44 H TRP 44 4.143 2.994 7.999
318 HA TRP 44 HA TRP 44 3.188 3.464 5.257
319 HB2 TRP 44 HB2 TRP 44 1.967 2.056 7.662
320 HB3 TRP 44 HB3 TRP 44 1.164 2.236 6.104
321 HD1 TRP 44 HD1 TRP 44 4.471 0.763 7.449
322 HE1 TRP 44 HE1 TRP 44 5.174 -1.255 5.961
323 HE3 TRP 44 HE3 TRP 44 0.674 0.866 4.014
324 HZ2 TRP 44 HZ2 TRP 44 4.240 -2.586 3.716
325 HZ3 TRP 44 HZ3 TRP 44 0.584 -0.924 2.250
326 HH2 TRP 44 HH2 TRP 44 2.347 -2.573 2.061
327 H THR 45 H THR 45 1.669 4.953 4.684
328 HA THR 45 HA THR 45 0.408 6.662 6.771
329 HB THR 45 HB THR 45 0.768 8.553 5.383
330 HG1 THR 45 HG1 THR 45 0.767 8.306 3.385
331 HG21 THR 45 HG21 THR 45 2.851 7.801 6.639
332 HG22 THR 45 HG22 THR 45 3.160 8.782 5.183
333 HG23 THR 45 HG23 THR 45 3.381 7.028 5.135
334 H TYR 46 H TYR 46 -1.473 8.028 5.358
335 HA TYR 46 HA TYR 46 -2.841 6.319 3.457
336 HB2 TYR 46 HB2 TYR 46 -3.600 5.229 5.496
337 HB3 TYR 46 HB3 TYR 46 -3.972 6.782 6.239
338 HD1 TYR 46 HD1 TYR 46 -4.817 5.260 2.890
339 HD2 TYR 46 HD2 TYR 46 -6.274 7.065 6.554
340 HE1 TYR 46 HE1 TYR 46 -7.121 5.145 2.050
341 HE2 TYR 46 HE2 TYR 46 -8.593 6.780 5.755
342 HH TYR 46 HH TYR 46 -9.741 5.266 4.195
343 H ASP 47 H ASP 47 -3.950 7.539 2.128
344 HA ASP 47 HA ASP 47 -4.630 10.387 2.665
345 HB2 ASP 47 HB2 ASP 47 -3.735 8.967 0.103
346 HB3 ASP 47 HB3 ASP 47 -4.381 10.609 0.175
347 H ASP 48 H ASP 48 -6.674 9.706 3.484
348 HA ASP 48 HA ASP 48 -8.531 7.929 2.372
349 HB2 ASP 48 HB2 ASP 48 -8.745 9.113 4.535
350 HB3 ASP 48 HB3 ASP 48 -9.067 10.616 3.706
351 H ALA 49 H ALA 49 -7.914 11.183 1.638
352 HA ALA 49 HA ALA 49 -9.940 12.057 -0.068
353 HB1 ALA 49 HB1 ALA 49 -6.947 12.470 -0.441
354 HB2 ALA 49 HB2 ALA 49 -8.211 13.508 -1.136
355 HB3 ALA 49 HB3 ALA 49 -7.995 13.440 0.634
356 H THR 50 H THR 50 -7.455 9.714 -0.875
357 HA THR 50 HA THR 50 -8.631 9.250 -3.557
358 HB THR 50 HB THR 50 -6.729 10.650 -3.959
359 HG1 THR 50 HG1 THR 50 -6.367 7.918 -4.442
360 HG21 THR 50 HG21 THR 50 -5.404 10.571 -2.000
361 HG22 THR 50 HG22 THR 50 -4.415 9.819 -3.252
362 HG23 THR 50 HG23 THR 50 -5.245 8.811 -2.052
363 H LYS 51 H LYS 51 -8.379 8.036 -0.600
364 HA LYS 51 HA LYS 51 -7.934 6.111 0.416
365 HB2 LYS 51 HB2 LYS 51 -9.170 4.147 -0.615
366 HB3 LYS 51 HB3 LYS 51 -10.077 5.564 -0.089
367 HG2 LYS 51 HG2 LYS 51 -10.461 6.300 -2.308
368 HG3 LYS 51 HG3 LYS 51 -9.209 5.257 -2.953
369 HD2 LYS 51 HD2 LYS 51 -11.329 4.244 -3.536
370 HD3 LYS 51 HD3 LYS 51 -10.537 3.244 -2.321
371 HE2 LYS 51 HE2 LYS 51 -12.776 3.313 -1.641
372 HE3 LYS 51 HE3 LYS 51 -11.965 4.456 -0.562
373 HZ1 LYS 51 HZ1 LYS 51 -14.058 5.316 -1.445
374 HZ2 LYS 51 HZ2 LYS 51 -13.561 5.105 -2.964
375 HZ3 LYS 51 HZ3 LYS 51 -12.817 6.247 -2.015
376 H THR 52 H THR 52 -5.678 6.746 -0.244
377 HA THR 52 HA THR 52 -4.366 4.423 -1.556
378 HB THR 52 HB THR 52 -3.586 7.356 -1.634
379 HG1 THR 52 HG1 THR 52 -4.173 7.425 -3.658
380 HG21 THR 52 HG21 THR 52 -2.257 4.960 -2.953
381 HG22 THR 52 HG22 THR 52 -1.557 6.083 -1.773
382 HG23 THR 52 HG23 THR 52 -1.938 6.654 -3.389
383 H PHE 53 H PHE 53 -2.606 3.642 -0.495
384 HA PHE 53 HA PHE 53 -1.767 4.923 2.091
385 HB2 PHE 53 HB2 PHE 53 -1.307 2.085 1.104
386 HB3 PHE 53 HB3 PHE 53 -0.842 2.730 2.661
387 HD1 PHE 53 HD2 PHE 53 -2.645 3.243 4.394
388 HD2 PHE 53 HD1 PHE 53 -3.445 1.215 0.705
389 HE1 PHE 53 HE2 PHE 53 -4.588 2.135 5.448
390 HE2 PHE 53 HE1 PHE 53 -5.388 0.048 1.768
391 HZ PHE 53 HZ PHE 53 -5.957 0.513 4.143
392 H THR 54 H THR 54 0.603 5.109 2.426
393 HA THR 54 HA THR 54 2.273 4.592 0.040
394 HB THR 54 HB THR 54 2.391 7.127 1.711
395 HG1 THR 54 HG1 THR 54 0.579 7.101 0.407
396 HG21 THR 54 HG21 THR 54 3.941 6.314 -0.752
397 HG22 THR 54 HG22 THR 54 4.558 6.620 0.881
398 HG23 THR 54 HG23 THR 54 3.879 7.952 -0.063
399 H VAL 55 H VAL 55 4.247 3.651 0.652
400 HA VAL 55 HA VAL 55 4.772 3.454 3.585
401 HB VAL 55 HB VAL 55 3.938 1.326 2.914
402 HG11 VAL 55 HG11 VAL 55 4.920 -0.127 1.272
403 HG12 VAL 55 HG12 VAL 55 4.437 1.384 0.465
404 HG13 VAL 55 HG13 VAL 55 6.145 1.074 0.850
405 HG21 VAL 55 HG21 VAL 55 5.885 -0.092 3.526
406 HG22 VAL 55 HG22 VAL 55 6.979 1.254 3.200
407 HG23 VAL 55 HG23 VAL 55 5.802 1.383 4.524
408 H THR 56 H THR 56 6.487 4.706 3.985
409 HA THR 56 HA THR 56 8.519 4.986 1.834
410 HB THR 56 HB THR 56 8.458 6.726 4.251
411 HG1 THR 56 HG1 THR 56 6.557 7.339 3.633
412 HG21 THR 56 HG21 THR 56 9.152 7.411 1.369
413 HG22 THR 56 HG22 THR 56 10.315 6.656 2.467
414 HG23 THR 56 HG23 THR 56 9.634 8.239 2.871
415 H GLU 57 H GLU 57 9.993 3.467 2.077
416 HA GLU 57 HA GLU 57 10.614 1.937 4.406
417 HB2 GLU 57 HB2 GLU 57 10.987 1.414 1.887
418 HB3 GLU 57 HB3 GLU 57 12.444 2.379 2.084
419 HG2 GLU 57 HG2 GLU 57 12.992 0.707 3.995
420 HG3 GLU 57 HG3 GLU 57 11.616 -0.223 3.332
Start of MODEL 19
1 H1 MET 1 H MET 1 -16.815 0.322 0.244
2 HA MET 1 HA MET 1 -14.342 -1.280 -0.072
3 HB2 MET 1 HB2 MET 1 -16.381 -2.625 -0.122
4 HB3 MET 1 HB3 MET 1 -17.081 -1.637 -1.391
5 HG2 MET 1 HG2 MET 1 -15.677 -2.608 -3.028
6 HG3 MET 1 HG3 MET 1 -14.462 -3.046 -1.845
7 HE1 MET 1 HE1 MET 1 -13.859 -5.410 -1.890
8 HE2 MET 1 HE2 MET 1 -14.903 -6.629 -2.637
9 HE3 MET 1 HE3 MET 1 -14.436 -5.174 -3.548
10 H GLY 2 H GLY 2 -13.810 -1.411 -2.621
11 HA2 GLY 2 HA2 GLY 2 -14.219 -0.068 -4.701
12 HA3 GLY 2 HA3 GLY 2 -13.689 1.290 -3.707
13 H THR 3 H THR 3 -12.187 1.083 -5.773
14 HA THR 3 HA THR 3 -10.023 -0.833 -5.499
15 HB THR 3 HB THR 3 -10.095 1.590 -7.287
16 HG1 THR 3 HG1 THR 3 -11.350 -0.925 -7.837
17 HG21 THR 3 HG21 THR 3 -8.005 0.282 -7.189
18 HG22 THR 3 HG22 THR 3 -8.757 0.206 -8.794
19 HG23 THR 3 HG23 THR 3 -8.880 -1.178 -7.682
20 H TYR 4 H TYR 4 -8.534 -0.544 -4.069
21 HA TYR 4 HA TYR 4 -7.862 2.101 -2.897
22 HB2 TYR 4 HB2 TYR 4 -7.357 -0.820 -2.185
23 HB3 TYR 4 HB3 TYR 4 -6.412 0.455 -1.477
24 HD1 TYR 4 HD1 TYR 4 -7.264 2.063 0.088
25 HD2 TYR 4 HD2 TYR 4 -9.804 -1.042 -1.532
26 HE1 TYR 4 HE1 TYR 4 -8.861 2.384 1.957
27 HE2 TYR 4 HE2 TYR 4 -11.415 -0.675 0.260
28 HH TYR 4 HH TYR 4 -11.922 0.542 2.153
29 H LYS 5 H LYS 5 -5.478 2.606 -2.740
30 HA LYS 5 HA LYS 5 -3.850 1.408 -4.932
31 HB2 LYS 5 HB2 LYS 5 -5.011 3.617 -5.491
32 HB3 LYS 5 HB3 LYS 5 -4.031 4.334 -4.220
33 HG2 LYS 5 HG2 LYS 5 -2.021 3.247 -5.644
34 HG3 LYS 5 HG3 LYS 5 -3.247 3.273 -6.925
35 HD2 LYS 5 HD2 LYS 5 -3.565 5.785 -6.242
36 HD3 LYS 5 HD3 LYS 5 -2.037 5.587 -5.391
37 HE2 LYS 5 HE2 LYS 5 -2.588 5.347 -8.359
38 HE3 LYS 5 HE3 LYS 5 -1.494 6.450 -7.512
39 HZ1 LYS 5 HZ1 LYS 5 -0.058 4.890 -8.323
40 HZ2 LYS 5 HZ2 LYS 5 -1.071 3.627 -8.200
41 HZ3 LYS 5 HZ3 LYS 5 -0.328 4.245 -6.856
42 H LEU 6 H LEU 6 -1.620 1.353 -4.582
43 HA LEU 6 HA LEU 6 -0.643 2.105 -1.866
44 HB2 LEU 6 HB2 LEU 6 -0.943 -0.294 -1.953
45 HB3 LEU 6 HB3 LEU 6 -0.111 -0.385 -3.493
46 HG LEU 6 HG LEU 6 2.021 0.331 -2.352
47 HD11 LEU 6 HD11 LEU 6 2.060 0.182 0.161
48 HD12 LEU 6 HD12 LEU 6 0.281 0.161 0.144
49 HD13 LEU 6 HD13 LEU 6 1.173 1.571 -0.438
50 HD21 LEU 6 HD21 LEU 6 2.209 -1.858 -0.986
51 HD22 LEU 6 HD22 LEU 6 1.858 -1.958 -2.715
52 HD23 LEU 6 HD23 LEU 6 0.562 -2.184 -1.537
53 H ILE 7 H ILE 7 1.328 2.964 -1.815
54 HA ILE 7 HA ILE 7 2.877 3.386 -4.301
55 HB ILE 7 HB ILE 7 2.327 5.427 -2.127
56 HG12 ILE 7 HG12 ILE 7 1.291 5.258 -4.980
57 HG13 ILE 7 HG13 ILE 7 0.344 5.158 -3.502
58 HG21 ILE 7 HG21 ILE 7 4.626 5.548 -3.145
59 HG22 ILE 7 HG22 ILE 7 3.871 5.757 -4.740
60 HG23 ILE 7 HG23 ILE 7 3.667 6.979 -3.459
61 HD11 ILE 7 HD11 ILE 7 0.948 7.510 -2.949
62 HD12 ILE 7 HD12 ILE 7 1.769 7.626 -4.530
63 HD13 ILE 7 HD13 ILE 7 0.034 7.337 -4.467
64 H LEU 8 H LEU 8 4.664 2.240 -4.083
65 HA LEU 8 HA LEU 8 5.788 1.621 -1.428
66 HB2 LEU 8 HB2 LEU 8 6.500 0.669 -4.229
67 HB3 LEU 8 HB3 LEU 8 7.251 0.141 -2.761
68 HG LEU 8 HG LEU 8 4.374 -0.257 -3.508
69 HD11 LEU 8 HD11 LEU 8 6.701 -2.266 -3.309
70 HD12 LEU 8 HD12 LEU 8 6.067 -1.602 -4.826
71 HD13 LEU 8 HD13 LEU 8 5.049 -2.646 -3.827
72 HD21 LEU 8 HD21 LEU 8 4.390 -1.949 -1.656
73 HD22 LEU 8 HD22 LEU 8 4.394 -0.261 -1.163
74 HD23 LEU 8 HD23 LEU 8 5.906 -1.216 -1.075
75 H ASN 9 H ASN 9 6.910 3.268 -0.767
76 HA ASN 9 HA ASN 9 8.724 4.814 -2.602
77 HB2 ASN 9 HB2 ASN 9 7.289 5.554 -0.034
78 HB3 ASN 9 HB3 ASN 9 8.746 6.402 -0.538
79 HD21 ASN 9 HD21 ASN 9 6.705 7.940 -0.211
80 HD22 ASN 9 HD22 ASN 9 6.066 8.505 -1.733
81 H GLY 10 H GLY 10 10.145 2.779 -2.412
82 HA2 GLY 10 HA2 GLY 10 11.468 2.651 0.194
83 HA3 GLY 10 HA3 GLY 10 11.651 1.484 -1.088
84 H LYS 11 H LYS 11 13.572 2.650 0.522
85 HA LYS 11 HA LYS 11 15.152 4.684 -0.855
86 HB2 LYS 11 HB2 LYS 11 15.660 2.768 1.460
87 HB3 LYS 11 HB3 LYS 11 16.880 3.925 0.900
88 HG2 LYS 11 HG2 LYS 11 15.553 5.813 1.459
89 HG3 LYS 11 HG3 LYS 11 14.081 4.835 1.587
90 HD2 LYS 11 HD2 LYS 11 14.804 5.496 3.771
91 HD3 LYS 11 HD3 LYS 11 14.830 3.747 3.549
92 HE2 LYS 11 HE2 LYS 11 17.238 3.761 3.382
93 HE3 LYS 11 HE3 LYS 11 17.281 5.537 3.458
94 HZ1 LYS 11 HZ1 LYS 11 17.689 4.460 5.643
95 HZ2 LYS 11 HZ2 LYS 11 16.168 3.811 5.598
96 HZ3 LYS 11 HZ3 LYS 11 16.399 5.445 5.670
97 H THR 12 H THR 12 14.642 1.378 -1.339
98 HA THR 12 HA THR 12 17.219 1.065 -2.820
99 HB THR 12 HB THR 12 17.000 -1.319 -2.424
100 HG1 THR 12 HG1 THR 12 15.072 -1.975 -2.120
101 HG21 THR 12 HG21 THR 12 16.563 0.090 0.247
102 HG22 THR 12 HG22 THR 12 18.112 0.057 -0.621
103 HG23 THR 12 HG23 THR 12 17.391 -1.447 -0.047
104 H LEU 13 H LEU 13 13.701 0.265 -2.889
105 HA LEU 13 HA LEU 13 13.720 0.470 -5.859
106 HB2 LEU 13 HB2 LEU 13 13.904 -1.929 -5.287
107 HB3 LEU 13 HB3 LEU 13 12.558 -1.784 -4.157
108 HG LEU 13 HG LEU 13 11.011 -1.316 -6.052
109 HD11 LEU 13 HD11 LEU 13 13.490 -1.742 -7.743
110 HD12 LEU 13 HD12 LEU 13 12.535 -0.246 -7.644
111 HD13 LEU 13 HD13 LEU 13 11.830 -1.675 -8.372
112 HD21 LEU 13 HD21 LEU 13 11.401 -3.642 -5.262
113 HD22 LEU 13 HD22 LEU 13 12.617 -3.834 -6.544
114 HD23 LEU 13 HD23 LEU 13 10.921 -3.524 -6.960
115 H LYS 14 H LYS 14 11.449 0.889 -6.671
116 HA LYS 14 HA LYS 14 9.484 1.752 -4.672
117 HB2 LYS 14 HB2 LYS 14 10.403 3.615 -6.911
118 HB3 LYS 14 HB3 LYS 14 8.947 3.782 -5.921
119 HG2 LYS 14 HG2 LYS 14 10.012 4.957 -4.430
120 HG3 LYS 14 HG3 LYS 14 10.985 3.563 -4.014
121 HD2 LYS 14 HD2 LYS 14 11.648 5.714 -6.044
122 HD3 LYS 14 HD3 LYS 14 12.372 5.480 -4.437
123 HE2 LYS 14 HE2 LYS 14 13.400 3.408 -5.101
124 HE3 LYS 14 HE3 LYS 14 12.578 3.438 -6.684
125 HZ1 LYS 14 HZ1 LYS 14 13.785 5.396 -7.247
126 HZ2 LYS 14 HZ2 LYS 14 14.881 4.241 -6.765
127 HZ3 LYS 14 HZ3 LYS 14 14.475 5.480 -5.751
128 H GLY 15 H GLY 15 7.344 1.875 -5.622
129 HA2 GLY 15 HA2 GLY 15 6.779 1.120 -8.323
130 HA3 GLY 15 HA3 GLY 15 6.665 -0.281 -7.254
131 H GLU 16 H GLU 16 4.307 0.279 -8.382
132 HA GLU 16 HA GLU 16 2.684 1.342 -6.180
133 HB2 GLU 16 HB2 GLU 16 2.789 2.520 -8.992
134 HB3 GLU 16 HB3 GLU 16 1.317 2.569 -8.012
135 HG2 GLU 16 HG2 GLU 16 2.527 3.753 -6.251
136 HG3 GLU 16 HG3 GLU 16 3.971 3.838 -7.264
137 H THR 17 H THR 17 0.510 0.545 -6.283
138 HA THR 17 HA THR 17 -0.352 -1.138 -8.493
139 HB THR 17 HB THR 17 1.128 -2.637 -7.163
140 HG1 THR 17 HG1 THR 17 -0.500 -3.804 -8.039
141 HG21 THR 17 HG21 THR 17 0.834 -1.675 -4.909
142 HG22 THR 17 HG22 THR 17 0.461 -3.400 -4.912
143 HG23 THR 17 HG23 THR 17 -0.850 -2.208 -4.878
144 H THR 18 H THR 18 -2.552 -2.110 -7.879
145 HA THR 18 HA THR 18 -4.115 -0.507 -5.983
146 HB THR 18 HB THR 18 -5.928 -0.446 -7.795
147 HG1 THR 18 HG1 THR 18 -3.782 -1.362 -9.342
148 HG21 THR 18 HG21 THR 18 -3.450 1.226 -8.307
149 HG22 THR 18 HG22 THR 18 -4.675 1.524 -7.042
150 HG23 THR 18 HG23 THR 18 -5.142 1.636 -8.727
151 H THR 19 H THR 19 -5.966 -1.678 -5.186
152 HA THR 19 HA THR 19 -6.384 -4.391 -6.124
153 HB THR 19 HB THR 19 -4.520 -4.470 -4.334
154 HG1 THR 19 HG1 THR 19 -6.906 -5.956 -3.920
155 HG21 THR 19 HG21 THR 19 -6.846 -4.223 -2.373
156 HG22 THR 19 HG22 THR 19 -5.736 -2.888 -2.707
157 HG23 THR 19 HG23 THR 19 -5.115 -4.391 -2.020
158 H GLU 20 H GLU 20 -8.534 -5.162 -5.370
159 HA GLU 20 HA GLU 20 -10.246 -2.874 -4.513
160 HB2 GLU 20 HB2 GLU 20 -10.938 -5.484 -5.924
161 HB3 GLU 20 HB3 GLU 20 -12.072 -4.200 -5.434
162 HG2 GLU 20 HG2 GLU 20 -10.569 -2.574 -6.733
163 HG3 GLU 20 HG3 GLU 20 -9.757 -3.979 -7.421
164 H ALA 21 H ALA 21 -10.769 -2.851 -2.397
165 HA ALA 21 HA ALA 21 -10.767 -5.442 -0.923
166 HB1 ALA 21 HB1 ALA 21 -8.683 -4.437 -0.345
167 HB2 ALA 21 HB2 ALA 21 -9.449 -2.849 -0.150
168 HB3 ALA 21 HB3 ALA 21 -9.814 -4.128 1.000
169 H VAL 22 H VAL 22 -12.253 -5.654 0.569
170 HA VAL 22 HA VAL 22 -14.674 -4.198 0.316
171 HB VAL 22 HB VAL 22 -14.534 -6.573 0.827
172 HG11 VAL 22 HG11 VAL 22 -14.058 -7.468 3.008
173 HG12 VAL 22 HG12 VAL 22 -12.644 -6.573 2.464
174 HG13 VAL 22 HG13 VAL 22 -13.716 -5.866 3.684
175 HG21 VAL 22 HG21 VAL 22 -16.374 -6.681 2.404
176 HG22 VAL 22 HG22 VAL 22 -16.000 -5.069 3.034
177 HG23 VAL 22 HG23 VAL 22 -16.566 -5.267 1.358
178 H ASP 23 H ASP 23 -12.120 -4.153 2.830
179 HA ASP 23 HA ASP 23 -13.252 -1.643 3.912
180 HB2 ASP 23 HB2 ASP 23 -12.530 -4.164 5.452
181 HB3 ASP 23 HB3 ASP 23 -12.629 -2.570 6.195
182 H ALA 24 H ALA 24 -11.671 -0.536 5.194
183 HA ALA 24 HA ALA 24 -9.211 -0.129 3.959
184 HB1 ALA 24 HB1 ALA 24 -10.218 1.531 5.421
185 HB2 ALA 24 HB2 ALA 24 -10.259 0.396 6.790
186 HB3 ALA 24 HB3 ALA 24 -8.713 1.021 6.213
187 H ALA 25 H ALA 25 -10.089 -2.258 6.679
188 HA ALA 25 HA ALA 25 -7.489 -2.889 7.503
189 HB1 ALA 25 HB1 ALA 25 -10.063 -4.493 7.678
190 HB2 ALA 25 HB2 ALA 25 -8.548 -4.957 8.459
191 HB3 ALA 25 HB3 ALA 25 -9.330 -3.432 8.921
192 H THR 26 H THR 26 -9.617 -4.613 5.186
193 HA THR 26 HA THR 26 -7.959 -6.757 4.505
194 HB THR 26 HB THR 26 -9.859 -5.178 2.770
195 HG1 THR 26 HG1 THR 26 -10.642 -7.199 4.590
196 HG21 THR 26 HG21 THR 26 -8.748 -7.090 1.631
197 HG22 THR 26 HG22 THR 26 -10.509 -7.221 1.713
198 HG23 THR 26 HG23 THR 26 -9.506 -8.168 2.819
199 H ALA 27 H ALA 27 -8.363 -3.498 3.019
200 HA ALA 27 HA ALA 27 -6.565 -3.804 0.886
201 HB1 ALA 27 HB1 ALA 27 -6.646 -1.382 0.753
202 HB2 ALA 27 HB2 ALA 27 -8.246 -1.881 1.360
203 HB3 ALA 27 HB3 ALA 27 -7.058 -1.225 2.474
204 H GLU 28 H GLU 28 -5.975 -2.529 4.202
205 HA GLU 28 HA GLU 28 -3.275 -1.919 3.814
206 HB2 GLU 28 HB2 GLU 28 -4.849 -1.166 5.605
207 HB3 GLU 28 HB3 GLU 28 -4.672 -2.744 6.377
208 HG2 GLU 28 HG2 GLU 28 -2.241 -2.296 6.690
209 HG3 GLU 28 HG3 GLU 28 -2.430 -0.733 5.880
210 H LYS 29 H LYS 29 -4.796 -5.018 4.735
211 HA LYS 29 HA LYS 29 -2.289 -6.366 5.413
212 HB2 LYS 29 HB2 LYS 29 -5.004 -7.410 4.440
213 HB3 LYS 29 HB3 LYS 29 -3.691 -8.448 4.975
214 HG2 LYS 29 HG2 LYS 29 -3.822 -7.671 7.208
215 HG3 LYS 29 HG3 LYS 29 -4.845 -6.301 6.779
216 HD2 LYS 29 HD2 LYS 29 -6.595 -7.952 5.982
217 HD3 LYS 29 HD3 LYS 29 -5.607 -9.260 6.671
218 HE2 LYS 29 HE2 LYS 29 -6.550 -6.781 8.144
219 HE3 LYS 29 HE3 LYS 29 -7.464 -8.302 8.137
220 HZ1 LYS 29 HZ1 LYS 29 -5.342 -9.348 9.058
221 HZ2 LYS 29 HZ2 LYS 29 -6.205 -8.414 10.083
222 HZ3 LYS 29 HZ3 LYS 29 -4.827 -7.826 9.390
223 H VAL 30 H VAL 30 -4.435 -6.412 2.540
224 HA VAL 30 HA VAL 30 -2.810 -8.129 0.976
225 HB VAL 30 HB VAL 30 -4.815 -5.956 0.249
226 HG11 VAL 30 HG11 VAL 30 -4.896 -6.865 -2.025
227 HG12 VAL 30 HG12 VAL 30 -3.324 -6.137 -1.722
228 HG13 VAL 30 HG13 VAL 30 -3.501 -7.907 -1.704
229 HG21 VAL 30 HG21 VAL 30 -4.786 -9.000 0.159
230 HG22 VAL 30 HG22 VAL 30 -5.605 -8.016 1.383
231 HG23 VAL 30 HG23 VAL 30 -6.177 -7.970 -0.293
232 H PHE 31 H PHE 31 -2.743 -4.534 1.212
233 HA PHE 31 HA PHE 31 -0.513 -4.321 -0.576
234 HB2 PHE 31 HB2 PHE 31 -1.768 -2.499 1.480
235 HB3 PHE 31 HB3 PHE 31 -0.396 -2.012 0.501
236 HD1 PHE 31 HD1 PHE 31 -1.612 -3.655 -2.124
237 HD2 PHE 31 HD2 PHE 31 -2.988 -0.582 0.598
238 HE1 PHE 31 HE1 PHE 31 -2.957 -2.703 -3.901
239 HE2 PHE 31 HE2 PHE 31 -4.307 0.402 -1.242
240 HZ PHE 31 HZ PHE 31 -4.308 -0.670 -3.504
241 H LYS 32 H LYS 32 -0.649 -4.627 3.045
242 HA LYS 32 HA LYS 32 2.129 -4.188 3.417
243 HB2 LYS 32 HB2 LYS 32 -0.077 -5.456 4.967
244 HB3 LYS 32 HB3 LYS 32 1.463 -6.196 5.237
245 HG2 LYS 32 HG2 LYS 32 1.846 -3.306 5.263
246 HG3 LYS 32 HG3 LYS 32 0.492 -3.709 6.311
247 HD2 LYS 32 HD2 LYS 32 1.845 -5.155 7.642
248 HD3 LYS 32 HD3 LYS 32 3.081 -5.284 6.404
249 HE2 LYS 32 HE2 LYS 32 4.039 -3.918 8.105
250 HE3 LYS 32 HE3 LYS 32 3.699 -2.902 6.714
251 HZ1 LYS 32 HZ1 LYS 32 1.719 -2.080 7.883
252 HZ2 LYS 32 HZ2 LYS 32 3.083 -1.811 8.713
253 HZ3 LYS 32 HZ3 LYS 32 2.077 -3.011 9.189
254 H GLN 33 H GLN 33 0.400 -7.199 2.673
255 HA GLN 33 HA GLN 33 2.699 -8.826 2.613
256 HB2 GLN 33 HB2 GLN 33 0.232 -9.537 2.632
257 HB3 GLN 33 HB3 GLN 33 0.174 -9.095 0.932
258 HG2 GLN 33 HG2 GLN 33 0.577 -11.373 0.799
259 HG3 GLN 33 HG3 GLN 33 2.211 -10.749 0.665
260 HE21 GLN 33 HE21 GLN 33 3.639 -10.965 2.609
261 HE22 GLN 33 HE22 GLN 33 3.194 -12.096 3.879
262 H TYR 34 H TYR 34 1.075 -6.857 0.106
263 HA TYR 34 HA TYR 34 2.693 -7.739 -2.089
264 HB2 TYR 34 HB2 TYR 34 0.534 -6.302 -2.111
265 HB3 TYR 34 HB3 TYR 34 1.586 -4.920 -1.894
266 HD1 TYR 34 HD2 TYR 34 3.236 -4.299 -3.762
267 HD2 TYR 34 HD1 TYR 34 0.392 -7.520 -4.169
268 HE1 TYR 34 HE2 TYR 34 3.511 -4.237 -6.235
269 HE2 TYR 34 HE1 TYR 34 0.623 -7.424 -6.625
270 HH TYR 34 HH TYR 34 2.991 -5.422 -8.302
271 H ALA 35 H ALA 35 3.089 -4.979 0.120
272 HA ALA 35 HA ALA 35 5.494 -3.971 -1.084
273 HB1 ALA 35 HB1 ALA 35 5.795 -2.779 1.071
274 HB2 ALA 35 HB2 ALA 35 4.141 -2.657 0.432
275 HB3 ALA 35 HB3 ALA 35 4.517 -3.797 1.760
276 H ASN 36 H ASN 36 4.995 -6.168 1.690
277 HA ASN 36 HA ASN 36 7.738 -6.592 2.274
278 HB2 ASN 36 HB2 ASN 36 6.830 -7.660 3.972
279 HB3 ASN 36 HB3 ASN 36 5.242 -7.585 3.248
280 HD21 ASN 36 HD21 ASN 36 4.951 -9.415 1.369
281 HD22 ASN 36 HD22 ASN 36 5.558 -10.969 1.835
282 H ASP 37 H ASP 37 5.613 -8.046 -0.202
283 HA ASP 37 HA ASP 37 7.403 -10.143 -0.978
284 HB2 ASP 37 HB2 ASP 37 4.935 -9.956 -1.498
285 HB3 ASP 37 HB3 ASP 37 5.343 -8.749 -2.714
286 H ASN 38 H ASN 38 7.232 -6.701 -1.687
287 HA ASN 38 HA ASN 38 9.295 -6.829 -3.834
288 HB2 ASN 38 HB2 ASN 38 7.724 -4.509 -2.608
289 HB3 ASN 38 HB3 ASN 38 9.024 -4.310 -3.782
290 HD21 ASN 38 HD21 ASN 38 5.837 -5.850 -3.325
291 HD22 ASN 38 HD22 ASN 38 5.402 -5.837 -4.977
292 H GLY 39 H GLY 39 9.265 -6.945 -0.476
293 HA2 GLY 39 HA2 GLY 39 10.883 -6.695 1.130
294 HA3 GLY 39 HA3 GLY 39 12.055 -6.374 -0.171
295 H VAL 40 H VAL 40 9.032 -4.617 0.604
296 HA VAL 40 HA VAL 40 10.618 -2.188 1.278
297 HB VAL 40 HB VAL 40 7.785 -2.428 0.202
298 HG11 VAL 40 HG11 VAL 40 9.620 -0.014 0.577
299 HG12 VAL 40 HG12 VAL 40 8.021 0.017 -0.214
300 HG13 VAL 40 HG13 VAL 40 8.143 -0.381 1.498
301 HG21 VAL 40 HG21 VAL 40 10.246 -1.610 -1.366
302 HG22 VAL 40 HG22 VAL 40 9.368 -3.161 -1.531
303 HG23 VAL 40 HG23 VAL 40 8.547 -1.650 -1.911
304 H ASP 41 H ASP 41 10.446 -1.635 3.396
305 HA ASP 41 HA ASP 41 7.871 -2.000 4.701
306 HB2 ASP 41 HB2 ASP 41 9.040 -4.199 5.035
307 HB3 ASP 41 HB3 ASP 41 10.336 -3.306 5.849
308 H GLY 42 H GLY 42 7.616 0.049 5.180
309 HA2 GLY 42 HA2 GLY 42 9.610 1.424 6.877
310 HA3 GLY 42 HA3 GLY 42 9.035 2.162 5.365
311 H GLU 43 H GLU 43 8.189 3.870 6.574
312 HA GLU 43 HA GLU 43 6.104 3.420 8.546
313 HB2 GLU 43 HB2 GLU 43 7.572 5.347 8.732
314 HB3 GLU 43 HB3 GLU 43 7.024 5.981 7.173
315 HG2 GLU 43 HG2 GLU 43 4.749 6.291 8.007
316 HG3 GLU 43 HG3 GLU 43 5.137 5.421 9.494
317 H TRP 44 H TRP 44 4.161 2.695 7.948
318 HA TRP 44 HA TRP 44 3.107 3.169 5.280
319 HB2 TRP 44 HB2 TRP 44 2.004 1.714 7.717
320 HB3 TRP 44 HB3 TRP 44 1.164 1.864 6.183
321 HD1 TRP 44 HD1 TRP 44 4.511 0.406 7.504
322 HE1 TRP 44 HE1 TRP 44 5.318 -1.413 5.936
323 HE3 TRP 44 HE3 TRP 44 0.759 0.656 4.033
324 HZ2 TRP 44 HZ2 TRP 44 4.379 -2.700 3.549
325 HZ3 TRP 44 HZ3 TRP 44 0.747 -0.897 2.102
326 HH2 TRP 44 HH2 TRP 44 2.508 -2.567 1.844
327 H THR 45 H THR 45 1.694 4.686 4.783
328 HA THR 45 HA THR 45 0.298 6.350 6.802
329 HB THR 45 HB THR 45 0.733 8.256 5.300
330 HG1 THR 45 HG1 THR 45 2.351 6.494 3.797
331 HG21 THR 45 HG21 THR 45 3.127 8.507 5.488
332 HG22 THR 45 HG22 THR 45 3.367 6.757 5.575
333 HG23 THR 45 HG23 THR 45 2.593 7.606 6.935
334 H TYR 46 H TYR 46 -1.686 7.512 5.657
335 HA TYR 46 HA TYR 46 -2.793 5.985 3.399
336 HB2 TYR 46 HB2 TYR 46 -3.606 4.809 5.374
337 HB3 TYR 46 HB3 TYR 46 -4.044 6.337 6.131
338 HD1 TYR 46 HD1 TYR 46 -4.770 4.445 2.939
339 HD2 TYR 46 HD2 TYR 46 -6.312 6.873 6.147
340 HE1 TYR 46 HE1 TYR 46 -7.034 4.276 1.963
341 HE2 TYR 46 HE2 TYR 46 -8.588 6.611 5.258
342 HH TYR 46 HH TYR 46 -9.863 5.954 3.407
343 H ASP 47 H ASP 47 -4.150 7.202 2.168
344 HA ASP 47 HA ASP 47 -4.665 10.060 2.851
345 HB2 ASP 47 HB2 ASP 47 -3.763 8.805 0.218
346 HB3 ASP 47 HB3 ASP 47 -4.545 10.376 0.331
347 H ASP 48 H ASP 48 -6.721 9.397 3.598
348 HA ASP 48 HA ASP 48 -8.554 7.636 2.417
349 HB2 ASP 48 HB2 ASP 48 -8.658 8.829 4.682
350 HB3 ASP 48 HB3 ASP 48 -9.243 10.240 3.826
351 H ALA 49 H ALA 49 -7.919 10.904 1.772
352 HA ALA 49 HA ALA 49 -10.013 11.828 0.172
353 HB1 ALA 49 HB1 ALA 49 -8.350 13.423 -0.637
354 HB2 ALA 49 HB2 ALA 49 -8.010 13.081 1.066
355 HB3 ALA 49 HB3 ALA 49 -7.039 12.288 -0.192
356 H THR 50 H THR 50 -7.528 9.542 -0.708
357 HA THR 50 HA THR 50 -8.571 9.257 -3.440
358 HB THR 50 HB THR 50 -6.778 10.837 -3.669
359 HG1 THR 50 HG1 THR 50 -5.417 9.812 -5.026
360 HG21 THR 50 HG21 THR 50 -5.113 8.937 -2.012
361 HG22 THR 50 HG22 THR 50 -5.451 10.658 -1.742
362 HG23 THR 50 HG23 THR 50 -4.385 10.172 -3.056
363 H LYS 51 H LYS 51 -8.481 7.902 -0.598
364 HA LYS 51 HA LYS 51 -7.974 5.940 0.402
365 HB2 LYS 51 HB2 LYS 51 -9.174 4.017 -0.726
366 HB3 LYS 51 HB3 LYS 51 -10.120 5.445 -0.306
367 HG2 LYS 51 HG2 LYS 51 -10.240 6.187 -2.573
368 HG3 LYS 51 HG3 LYS 51 -8.949 5.109 -3.069
369 HD2 LYS 51 HD2 LYS 51 -10.979 4.220 -3.904
370 HD3 LYS 51 HD3 LYS 51 -10.484 3.143 -2.584
371 HE2 LYS 51 HE2 LYS 51 -12.163 4.035 -1.121
372 HE3 LYS 51 HE3 LYS 51 -12.465 5.427 -2.204
373 HZ1 LYS 51 HZ1 LYS 51 -13.382 2.698 -2.335
374 HZ2 LYS 51 HZ2 LYS 51 -13.094 3.461 -3.793
375 HZ3 LYS 51 HZ3 LYS 51 -14.184 4.076 -2.756
376 H THR 52 H THR 52 -5.692 6.741 -0.369
377 HA THR 52 HA THR 52 -4.327 4.462 -1.704
378 HB THR 52 HB THR 52 -3.592 7.408 -1.603
379 HG1 THR 52 HG1 THR 52 -5.339 6.673 -3.076
380 HG21 THR 52 HG21 THR 52 -2.195 5.096 -2.990
381 HG22 THR 52 HG22 THR 52 -1.518 6.176 -1.747
382 HG23 THR 52 HG23 THR 52 -1.906 6.821 -3.339
383 H PHE 53 H PHE 53 -2.228 3.927 -0.838
384 HA PHE 53 HA PHE 53 -1.662 4.722 1.977
385 HB2 PHE 53 HB2 PHE 53 -1.597 2.026 0.553
386 HB3 PHE 53 HB3 PHE 53 -0.762 2.295 2.045
387 HD1 PHE 53 HD2 PHE 53 -1.967 2.593 4.191
388 HD2 PHE 53 HD1 PHE 53 -3.990 1.819 0.485
389 HE1 PHE 53 HE2 PHE 53 -3.931 1.722 5.460
390 HE2 PHE 53 HE1 PHE 53 -5.965 0.916 1.764
391 HZ PHE 53 HZ PHE 53 -5.903 0.835 4.235
392 H THR 54 H THR 54 0.685 4.928 2.430
393 HA THR 54 HA THR 54 2.426 4.420 0.109
394 HB THR 54 HB THR 54 2.570 7.000 1.680
395 HG1 THR 54 HG1 THR 54 1.258 6.325 -0.684
396 HG21 THR 54 HG21 THR 54 4.049 7.695 -0.181
397 HG22 THR 54 HG22 THR 54 4.041 6.030 -0.782
398 HG23 THR 54 HG23 THR 54 4.712 6.393 0.815
399 H VAL 55 H VAL 55 4.229 3.335 0.732
400 HA VAL 55 HA VAL 55 4.786 3.205 3.667
401 HB VAL 55 HB VAL 55 4.040 1.090 2.945
402 HG11 VAL 55 HG11 VAL 55 4.458 1.205 0.511
403 HG12 VAL 55 HG12 VAL 55 6.195 0.999 0.825
404 HG13 VAL 55 HG13 VAL 55 5.064 -0.286 1.265
405 HG21 VAL 55 HG21 VAL 55 6.020 -0.265 3.546
406 HG22 VAL 55 HG22 VAL 55 7.079 1.121 3.220
407 HG23 VAL 55 HG23 VAL 55 5.895 1.200 4.549
408 H THR 56 H THR 56 6.366 4.557 4.102
409 HA THR 56 HA THR 56 8.380 5.127 2.025
410 HB THR 56 HB THR 56 8.262 6.624 4.581
411 HG1 THR 56 HG1 THR 56 6.178 6.741 4.104
412 HG21 THR 56 HG21 THR 56 8.931 8.464 3.053
413 HG22 THR 56 HG22 THR 56 8.824 7.344 1.678
414 HG23 THR 56 HG23 THR 56 10.027 7.064 2.945
415 H GLU 57 H GLU 57 9.886 3.604 2.130
416 HA GLU 57 HA GLU 57 10.853 2.220 4.492
417 HB2 GLU 57 HB2 GLU 57 11.056 1.608 1.835
418 HB3 GLU 57 HB3 GLU 57 12.509 2.554 2.030
419 HG2 GLU 57 HG2 GLU 57 12.928 0.959 4.083
420 HG3 GLU 57 HG3 GLU 57 11.778 -0.065 3.178
Start of MODEL 20
1 H1 MET 1 H MET 1 -16.501 -1.123 0.923
2 HA MET 1 HA MET 1 -14.415 -1.634 -0.320
3 HB2 MET 1 HB2 MET 1 -16.314 -3.092 -0.491
4 HB3 MET 1 HB3 MET 1 -17.075 -2.109 -1.721
5 HG2 MET 1 HG2 MET 1 -15.622 -2.872 -3.395
6 HG3 MET 1 HG3 MET 1 -14.327 -3.194 -2.254
7 HE1 MET 1 HE1 MET 1 -13.415 -5.394 -2.505
8 HE2 MET 1 HE2 MET 1 -14.315 -6.755 -3.188
9 HE3 MET 1 HE3 MET 1 -14.136 -5.252 -4.123
10 H GLY 2 H GLY 2 -13.889 -1.603 -3.011
11 HA2 GLY 2 HA2 GLY 2 -14.229 0.093 -4.865
12 HA3 GLY 2 HA3 GLY 2 -13.696 1.270 -3.638
13 H THR 3 H THR 3 -12.222 1.058 -5.940
14 HA THR 3 HA THR 3 -9.981 -0.733 -5.475
15 HB THR 3 HB THR 3 -10.138 1.563 -7.435
16 HG1 THR 3 HG1 THR 3 -11.848 0.173 -7.811
17 HG21 THR 3 HG21 THR 3 -8.508 -1.021 -7.399
18 HG22 THR 3 HG22 THR 3 -7.874 0.623 -7.143
19 HG23 THR 3 HG23 THR 3 -8.531 0.163 -8.720
20 H TYR 4 H TYR 4 -8.478 -0.357 -4.136
21 HA TYR 4 HA TYR 4 -7.836 2.316 -2.996
22 HB2 TYR 4 HB2 TYR 4 -7.235 -0.589 -2.217
23 HB3 TYR 4 HB3 TYR 4 -6.446 0.793 -1.488
24 HD1 TYR 4 HD1 TYR 4 -7.556 2.393 -0.081
25 HD2 TYR 4 HD2 TYR 4 -9.564 -1.165 -1.512
26 HE1 TYR 4 HE1 TYR 4 -9.302 2.663 1.663
27 HE2 TYR 4 HE2 TYR 4 -11.309 -0.864 0.178
28 HH TYR 4 HH TYR 4 -12.145 0.512 1.800
29 H LYS 5 H LYS 5 -5.416 2.744 -2.805
30 HA LYS 5 HA LYS 5 -3.767 1.363 -4.865
31 HB2 LYS 5 HB2 LYS 5 -4.732 3.609 -5.635
32 HB3 LYS 5 HB3 LYS 5 -3.790 4.339 -4.345
33 HG2 LYS 5 HG2 LYS 5 -1.883 2.800 -5.741
34 HG3 LYS 5 HG3 LYS 5 -2.940 3.366 -7.004
35 HD2 LYS 5 HD2 LYS 5 -1.436 5.058 -4.976
36 HD3 LYS 5 HD3 LYS 5 -1.031 4.851 -6.668
37 HE2 LYS 5 HE2 LYS 5 -3.378 6.361 -5.466
38 HE3 LYS 5 HE3 LYS 5 -2.066 6.974 -6.488
39 HZ1 LYS 5 HZ1 LYS 5 -4.400 5.398 -7.229
40 HZ2 LYS 5 HZ2 LYS 5 -3.037 5.419 -8.232
41 HZ3 LYS 5 HZ3 LYS 5 -3.900 6.787 -7.857
42 H LEU 6 H LEU 6 -1.570 1.241 -4.440
43 HA LEU 6 HA LEU 6 -0.657 2.099 -1.723
44 HB2 LEU 6 HB2 LEU 6 -0.889 -0.235 -1.639
45 HB3 LEU 6 HB3 LEU 6 -0.181 -0.462 -3.238
46 HG LEU 6 HG LEU 6 2.043 0.360 -2.270
47 HD11 LEU 6 HD11 LEU 6 1.326 1.606 -0.335
48 HD12 LEU 6 HD12 LEU 6 2.207 0.205 0.256
49 HD13 LEU 6 HD13 LEU 6 0.428 0.226 0.307
50 HD21 LEU 6 HD21 LEU 6 0.711 -2.174 -1.306
51 HD22 LEU 6 HD22 LEU 6 2.397 -1.796 -0.936
52 HD23 LEU 6 HD23 LEU 6 1.868 -1.940 -2.616
53 H ILE 7 H ILE 7 1.201 3.158 -1.721
54 HA ILE 7 HA ILE 7 2.765 3.498 -4.240
55 HB ILE 7 HB ILE 7 2.272 5.533 -2.042
56 HG12 ILE 7 HG12 ILE 7 1.277 5.410 -4.918
57 HG13 ILE 7 HG13 ILE 7 0.309 5.237 -3.456
58 HG21 ILE 7 HG21 ILE 7 4.580 5.646 -3.075
59 HG22 ILE 7 HG22 ILE 7 3.817 5.852 -4.666
60 HG23 ILE 7 HG23 ILE 7 3.625 7.074 -3.386
61 HD11 ILE 7 HD11 ILE 7 0.822 7.568 -2.821
62 HD12 ILE 7 HD12 ILE 7 1.722 7.777 -4.349
63 HD13 ILE 7 HD13 ILE 7 -0.004 7.432 -4.392
64 H LEU 8 H LEU 8 4.522 2.352 -4.055
65 HA LEU 8 HA LEU 8 5.749 1.670 -1.458
66 HB2 LEU 8 HB2 LEU 8 6.230 0.864 -4.362
67 HB3 LEU 8 HB3 LEU 8 7.192 0.263 -3.072
68 HG LEU 8 HG LEU 8 4.260 -0.182 -3.411
69 HD11 LEU 8 HD11 LEU 8 4.968 -2.510 -3.994
70 HD12 LEU 8 HD12 LEU 8 6.665 -2.103 -3.651
71 HD13 LEU 8 HD13 LEU 8 5.836 -1.377 -5.040
72 HD21 LEU 8 HD21 LEU 8 4.613 -0.323 -1.096
73 HD22 LEU 8 HD22 LEU 8 6.145 -1.222 -1.280
74 HD23 LEU 8 HD23 LEU 8 4.589 -1.979 -1.690
75 H ASN 9 H ASN 9 6.909 3.331 -0.763
76 HA ASN 9 HA ASN 9 8.616 5.000 -2.593
77 HB2 ASN 9 HB2 ASN 9 7.249 5.646 0.048
78 HB3 ASN 9 HB3 ASN 9 8.690 6.511 -0.468
79 HD21 ASN 9 HD21 ASN 9 6.502 7.955 0.023
80 HD22 ASN 9 HD22 ASN 9 5.899 8.591 -1.485
81 H GLY 10 H GLY 10 10.023 2.909 -2.448
82 HA2 GLY 10 HA2 GLY 10 11.407 2.728 0.102
83 HA3 GLY 10 HA3 GLY 10 11.519 1.593 -1.208
84 H LYS 11 H LYS 11 13.573 2.550 0.320
85 HA LYS 11 HA LYS 11 15.125 4.597 -0.996
86 HB2 LYS 11 HB2 LYS 11 15.997 2.330 0.864
87 HB3 LYS 11 HB3 LYS 11 16.900 3.802 0.481
88 HG2 LYS 11 HG2 LYS 11 15.008 5.161 1.495
89 HG3 LYS 11 HG3 LYS 11 14.229 3.638 1.934
90 HD2 LYS 11 HD2 LYS 11 15.372 4.422 3.872
91 HD3 LYS 11 HD3 LYS 11 16.182 2.981 3.255
92 HE2 LYS 11 HE2 LYS 11 17.869 4.577 3.883
93 HE3 LYS 11 HE3 LYS 11 17.840 4.420 2.114
94 HZ1 LYS 11 HZ1 LYS 11 16.479 6.570 3.604
95 HZ2 LYS 11 HZ2 LYS 11 16.682 6.482 1.959
96 HZ3 LYS 11 HZ3 LYS 11 17.966 6.755 2.951
97 H THR 12 H THR 12 14.608 1.264 -1.565
98 HA THR 12 HA THR 12 16.845 1.089 -3.565
99 HB THR 12 HB THR 12 16.650 -1.398 -3.111
100 HG1 THR 12 HG1 THR 12 15.667 -1.260 -0.649
101 HG21 THR 12 HG21 THR 12 18.450 -0.031 -2.152
102 HG22 THR 12 HG22 THR 12 17.970 -1.330 -1.062
103 HG23 THR 12 HG23 THR 12 17.441 0.328 -0.724
104 H LEU 13 H LEU 13 13.421 0.101 -2.928
105 HA LEU 13 HA LEU 13 13.052 -0.206 -5.879
106 HB2 LEU 13 HB2 LEU 13 13.253 -2.392 -4.811
107 HB3 LEU 13 HB3 LEU 13 12.059 -1.984 -3.599
108 HG LEU 13 HG LEU 13 11.331 -1.958 -6.549
109 HD11 LEU 13 HD11 LEU 13 10.602 -4.317 -6.319
110 HD12 LEU 13 HD12 LEU 13 11.356 -4.372 -4.709
111 HD13 LEU 13 HD13 LEU 13 12.350 -4.130 -6.153
112 HD21 LEU 13 HD21 LEU 13 9.747 -2.335 -3.977
113 HD22 LEU 13 HD22 LEU 13 9.082 -2.762 -5.567
114 HD23 LEU 13 HD23 LEU 13 9.486 -1.105 -5.205
115 H LYS 14 H LYS 14 11.154 0.726 -6.618
116 HA LYS 14 HA LYS 14 9.172 1.731 -4.634
117 HB2 LYS 14 HB2 LYS 14 10.414 3.398 -6.858
118 HB3 LYS 14 HB3 LYS 14 9.004 3.846 -5.893
119 HG2 LYS 14 HG2 LYS 14 10.163 4.335 -4.032
120 HG3 LYS 14 HG3 LYS 14 11.423 3.153 -4.312
121 HD2 LYS 14 HD2 LYS 14 11.189 5.734 -5.856
122 HD3 LYS 14 HD3 LYS 14 12.189 5.467 -4.402
123 HE2 LYS 14 HE2 LYS 14 13.482 3.736 -5.499
124 HE3 LYS 14 HE3 LYS 14 12.469 3.830 -6.961
125 HZ1 LYS 14 HZ1 LYS 14 14.137 6.030 -5.909
126 HZ2 LYS 14 HZ2 LYS 14 13.234 6.080 -7.286
127 HZ3 LYS 14 HZ3 LYS 14 14.520 5.081 -7.217
128 H GLY 15 H GLY 15 7.053 2.249 -5.728
129 HA2 GLY 15 HA2 GLY 15 6.492 1.568 -8.390
130 HA3 GLY 15 HA3 GLY 15 6.351 0.077 -7.455
131 H GLU 16 H GLU 16 4.079 0.643 -8.524
132 HA GLU 16 HA GLU 16 2.414 1.592 -6.285
133 HB2 GLU 16 HB2 GLU 16 2.357 2.745 -9.100
134 HB3 GLU 16 HB3 GLU 16 0.929 2.723 -8.052
135 HG2 GLU 16 HG2 GLU 16 2.205 3.987 -6.335
136 HG3 GLU 16 HG3 GLU 16 3.573 4.088 -7.449
137 H THR 17 H THR 17 0.385 0.574 -6.244
138 HA THR 17 HA THR 17 -0.391 -1.238 -8.391
139 HB THR 17 HB THR 17 1.175 -2.595 -6.980
140 HG1 THR 17 HG1 THR 17 -0.187 -3.956 -7.781
141 HG21 THR 17 HG21 THR 17 0.867 -1.639 -4.776
142 HG22 THR 17 HG22 THR 17 0.467 -3.356 -4.733
143 HG23 THR 17 HG23 THR 17 -0.841 -2.170 -4.739
144 H THR 18 H THR 18 -2.619 -2.036 -7.966
145 HA THR 18 HA THR 18 -4.106 -0.470 -5.975
146 HB THR 18 HB THR 18 -5.906 -0.368 -7.891
147 HG1 THR 18 HG1 THR 18 -4.744 -1.522 -9.501
148 HG21 THR 18 HG21 THR 18 -5.015 1.798 -8.648
149 HG22 THR 18 HG22 THR 18 -3.400 1.354 -8.036
150 HG23 THR 18 HG23 THR 18 -4.759 1.605 -6.918
151 H THR 19 H THR 19 -6.013 -1.562 -5.227
152 HA THR 19 HA THR 19 -6.448 -4.297 -6.109
153 HB THR 19 HB THR 19 -4.573 -4.271 -4.291
154 HG1 THR 19 HG1 THR 19 -5.268 -6.196 -4.642
155 HG21 THR 19 HG21 THR 19 -5.209 -4.225 -2.003
156 HG22 THR 19 HG22 THR 19 -6.940 -4.112 -2.394
157 HG23 THR 19 HG23 THR 19 -5.863 -2.744 -2.720
158 H GLU 20 H GLU 20 -8.573 -5.061 -5.358
159 HA GLU 20 HA GLU 20 -10.363 -2.806 -4.573
160 HB2 GLU 20 HB2 GLU 20 -10.918 -5.453 -5.994
161 HB3 GLU 20 HB3 GLU 20 -12.152 -4.310 -5.405
162 HG2 GLU 20 HG2 GLU 20 -11.021 -2.511 -6.754
163 HG3 GLU 20 HG3 GLU 20 -9.986 -3.744 -7.481
164 H ALA 21 H ALA 21 -10.565 -2.808 -2.405
165 HA ALA 21 HA ALA 21 -10.614 -5.461 -1.010
166 HB1 ALA 21 HB1 ALA 21 -9.711 -2.823 0.113
167 HB2 ALA 21 HB2 ALA 21 -9.694 -4.379 0.928
168 HB3 ALA 21 HB3 ALA 21 -8.610 -4.113 -0.455
169 H VAL 22 H VAL 22 -12.086 -5.764 0.511
170 HA VAL 22 HA VAL 22 -14.614 -4.495 0.194
171 HB VAL 22 HB VAL 22 -15.419 -5.961 1.915
172 HG11 VAL 22 HG11 VAL 22 -13.368 -7.485 0.244
173 HG12 VAL 22 HG12 VAL 22 -14.870 -8.115 0.942
174 HG13 VAL 22 HG13 VAL 22 -14.937 -6.906 -0.345
175 HG21 VAL 22 HG21 VAL 22 -13.900 -7.527 3.141
176 HG22 VAL 22 HG22 VAL 22 -12.509 -6.608 2.542
177 HG23 VAL 22 HG23 VAL 22 -13.697 -5.866 3.635
178 H ASP 23 H ASP 23 -12.056 -4.150 2.754
179 HA ASP 23 HA ASP 23 -13.234 -1.626 3.617
180 HB2 ASP 23 HB2 ASP 23 -13.082 -2.235 5.936
181 HB3 ASP 23 HB3 ASP 23 -14.255 -3.244 5.103
182 H ALA 24 H ALA 24 -11.663 -0.717 5.282
183 HA ALA 24 HA ALA 24 -9.203 -0.160 4.052
184 HB1 ALA 24 HB1 ALA 24 -10.097 0.095 6.980
185 HB2 ALA 24 HB2 ALA 24 -8.715 0.923 6.251
186 HB3 ALA 24 HB3 ALA 24 -10.360 1.302 5.698
187 H ALA 25 H ALA 25 -10.111 -2.516 6.582
188 HA ALA 25 HA ALA 25 -7.525 -3.189 7.421
189 HB1 ALA 25 HB1 ALA 25 -10.218 -4.576 7.520
190 HB2 ALA 25 HB2 ALA 25 -8.766 -5.360 8.123
191 HB3 ALA 25 HB3 ALA 25 -9.275 -3.795 8.806
192 H THR 26 H THR 26 -9.628 -4.821 4.984
193 HA THR 26 HA THR 26 -7.723 -6.855 4.312
194 HB THR 26 HB THR 26 -9.924 -5.541 2.718
195 HG1 THR 26 HG1 THR 26 -9.948 -8.014 4.143
196 HG21 THR 26 HG21 THR 26 -10.065 -7.580 1.351
197 HG22 THR 26 HG22 THR 26 -8.621 -8.217 2.158
198 HG23 THR 26 HG23 THR 26 -8.511 -6.772 1.148
199 H ALA 27 H ALA 27 -8.348 -3.560 2.910
200 HA ALA 27 HA ALA 27 -6.499 -3.772 0.792
201 HB1 ALA 27 HB1 ALA 27 -6.582 -1.334 0.727
202 HB2 ALA 27 HB2 ALA 27 -8.197 -1.861 1.246
203 HB3 ALA 27 HB3 ALA 27 -7.067 -1.236 2.432
204 H GLU 28 H GLU 28 -6.016 -2.461 4.073
205 HA GLU 28 HA GLU 28 -3.323 -1.809 3.881
206 HB2 GLU 28 HB2 GLU 28 -4.752 -1.063 5.628
207 HB3 GLU 28 HB3 GLU 28 -5.108 -2.693 6.162
208 HG2 GLU 28 HG2 GLU 28 -2.934 -2.996 7.103
209 HG3 GLU 28 HG3 GLU 28 -2.321 -1.532 6.336
210 H LYS 29 H LYS 29 -4.780 -4.933 4.862
211 HA LYS 29 HA LYS 29 -2.266 -6.243 5.476
212 HB2 LYS 29 HB2 LYS 29 -4.993 -7.338 4.643
213 HB3 LYS 29 HB3 LYS 29 -3.663 -8.344 5.210
214 HG2 LYS 29 HG2 LYS 29 -3.735 -7.436 7.415
215 HG3 LYS 29 HG3 LYS 29 -4.722 -6.068 6.910
216 HD2 LYS 29 HD2 LYS 29 -6.514 -7.875 6.229
217 HD3 LYS 29 HD3 LYS 29 -5.540 -8.950 7.268
218 HE2 LYS 29 HE2 LYS 29 -5.715 -7.176 9.058
219 HE3 LYS 29 HE3 LYS 29 -6.832 -6.306 8.009
220 HZ1 LYS 29 HZ1 LYS 29 -7.286 -9.026 9.102
221 HZ2 LYS 29 HZ2 LYS 29 -8.346 -8.223 8.158
222 HZ3 LYS 29 HZ3 LYS 29 -7.983 -7.650 9.650
223 H VAL 30 H VAL 30 -4.414 -6.355 2.556
224 HA VAL 30 HA VAL 30 -2.759 -8.094 1.080
225 HB VAL 30 HB VAL 30 -4.794 -5.975 0.328
226 HG11 VAL 30 HG11 VAL 30 -3.321 -6.012 -1.623
227 HG12 VAL 30 HG12 VAL 30 -3.367 -7.789 -1.659
228 HG13 VAL 30 HG13 VAL 30 -4.833 -6.848 -1.972
229 HG21 VAL 30 HG21 VAL 30 -4.681 -9.015 0.125
230 HG22 VAL 30 HG22 VAL 30 -5.498 -8.113 1.412
231 HG23 VAL 30 HG23 VAL 30 -6.100 -7.999 -0.247
232 H PHE 31 H PHE 31 -2.729 -4.497 1.211
233 HA PHE 31 HA PHE 31 -0.508 -4.211 -0.529
234 HB2 PHE 31 HB2 PHE 31 -1.590 -2.466 1.727
235 HB3 PHE 31 HB3 PHE 31 -0.319 -1.959 0.634
236 HD1 PHE 31 HD1 PHE 31 -1.432 -3.113 -2.016
237 HD2 PHE 31 HD2 PHE 31 -3.223 -0.833 1.186
238 HE1 PHE 31 HE1 PHE 31 -3.019 -2.157 -3.607
239 HE2 PHE 31 HE2 PHE 31 -4.817 0.109 -0.408
240 HZ PHE 31 HZ PHE 31 -4.718 -0.528 -2.838
241 H LYS 32 H LYS 32 -0.619 -4.585 3.065
242 HA LYS 32 HA LYS 32 2.151 -4.191 3.522
243 HB2 LYS 32 HB2 LYS 32 -0.139 -5.409 4.969
244 HB3 LYS 32 HB3 LYS 32 1.378 -6.185 5.314
245 HG2 LYS 32 HG2 LYS 32 1.725 -3.260 5.307
246 HG3 LYS 32 HG3 LYS 32 0.416 -3.731 6.383
247 HD2 LYS 32 HD2 LYS 32 1.867 -5.229 7.606
248 HD3 LYS 32 HD3 LYS 32 3.113 -5.130 6.364
249 HE2 LYS 32 HE2 LYS 32 3.906 -3.801 8.178
250 HE3 LYS 32 HE3 LYS 32 3.426 -2.707 6.885
251 HZ1 LYS 32 HZ1 LYS 32 2.629 -1.901 8.974
252 HZ2 LYS 32 HZ2 LYS 32 1.832 -3.314 9.303
253 HZ3 LYS 32 HZ3 LYS 32 1.327 -2.346 8.103
254 H GLN 33 H GLN 33 0.437 -7.237 2.730
255 HA GLN 33 HA GLN 33 2.800 -8.752 2.772
256 HB2 GLN 33 HB2 GLN 33 0.270 -9.478 2.692
257 HB3 GLN 33 HB3 GLN 33 0.436 -9.282 0.944
258 HG2 GLN 33 HG2 GLN 33 0.942 -11.549 1.269
259 HG3 GLN 33 HG3 GLN 33 2.526 -10.792 1.158
260 HE21 GLN 33 HE21 GLN 33 3.870 -10.819 3.054
261 HE22 GLN 33 HE22 GLN 33 3.427 -11.783 4.458
262 H TYR 34 H TYR 34 1.181 -6.925 0.183
263 HA TYR 34 HA TYR 34 2.813 -7.796 -1.999
264 HB2 TYR 34 HB2 TYR 34 0.634 -6.478 -1.996
265 HB3 TYR 34 HB3 TYR 34 1.599 -5.039 -1.700
266 HD1 TYR 34 HD2 TYR 34 3.232 -4.235 -3.458
267 HD2 TYR 34 HD1 TYR 34 0.562 -7.552 -4.147
268 HE1 TYR 34 HE2 TYR 34 3.466 -3.918 -5.882
269 HE2 TYR 34 HE1 TYR 34 0.727 -7.199 -6.568
270 HH TYR 34 HH TYR 34 2.617 -4.470 -7.999
271 H ALA 35 H ALA 35 3.177 -5.036 0.217
272 HA ALA 35 HA ALA 35 5.549 -3.990 -1.042
273 HB1 ALA 35 HB1 ALA 35 4.586 -3.719 1.798
274 HB2 ALA 35 HB2 ALA 35 5.814 -2.686 1.041
275 HB3 ALA 35 HB3 ALA 35 4.147 -2.652 0.428
276 H ASN 36 H ASN 36 5.104 -6.013 1.854
277 HA ASN 36 HA ASN 36 7.841 -6.406 2.438
278 HB2 ASN 36 HB2 ASN 36 6.955 -7.424 4.181
279 HB3 ASN 36 HB3 ASN 36 5.365 -7.369 3.463
280 HD21 ASN 36 HD21 ASN 36 5.076 -9.259 1.650
281 HD22 ASN 36 HD22 ASN 36 5.676 -10.801 2.150
282 H ASP 37 H ASP 37 5.764 -7.988 0.028
283 HA ASP 37 HA ASP 37 7.568 -10.123 -0.617
284 HB2 ASP 37 HB2 ASP 37 5.132 -10.032 -1.219
285 HB3 ASP 37 HB3 ASP 37 5.523 -8.815 -2.431
286 H ASN 38 H ASN 38 7.306 -6.741 -1.599
287 HA ASN 38 HA ASN 38 9.419 -6.959 -3.671
288 HB2 ASN 38 HB2 ASN 38 7.868 -4.578 -2.534
289 HB3 ASN 38 HB3 ASN 38 9.179 -4.448 -3.692
290 HD21 ASN 38 HD21 ASN 38 5.913 -5.788 -3.252
291 HD22 ASN 38 HD22 ASN 38 5.542 -5.886 -4.917
292 H GLY 39 H GLY 39 9.385 -6.971 -0.321
293 HA2 GLY 39 HA2 GLY 39 11.015 -6.797 1.237
294 HA3 GLY 39 HA3 GLY 39 12.184 -6.325 -0.024
295 H VAL 40 H VAL 40 9.191 -4.568 0.351
296 HA VAL 40 HA VAL 40 10.652 -2.191 1.345
297 HB VAL 40 HB VAL 40 7.825 -2.468 0.274
298 HG11 VAL 40 HG11 VAL 40 7.865 -0.048 0.048
299 HG12 VAL 40 HG12 VAL 40 8.177 -0.493 1.709
300 HG13 VAL 40 HG13 VAL 40 9.532 0.015 0.689
301 HG21 VAL 40 HG21 VAL 40 9.468 -3.034 -1.508
302 HG22 VAL 40 HG22 VAL 40 8.543 -1.581 -1.844
303 HG23 VAL 40 HG23 VAL 40 10.231 -1.432 -1.285
304 H ASP 41 H ASP 41 10.471 -1.746 3.478
305 HA ASP 41 HA ASP 41 7.912 -2.142 4.790
306 HB2 ASP 41 HB2 ASP 41 9.095 -4.337 5.106
307 HB3 ASP 41 HB3 ASP 41 10.401 -3.455 5.905
308 H GLY 42 H GLY 42 7.652 -0.083 5.304
309 HA2 GLY 42 HA2 GLY 42 9.714 1.328 6.872
310 HA3 GLY 42 HA3 GLY 42 9.081 2.054 5.378
311 H GLU 43 H GLU 43 8.318 3.753 6.611
312 HA GLU 43 HA GLU 43 6.229 3.366 8.624
313 HB2 GLU 43 HB2 GLU 43 7.898 5.147 8.794
314 HB3 GLU 43 HB3 GLU 43 7.307 5.903 7.305
315 HG2 GLU 43 HG2 GLU 43 5.191 6.458 8.354
316 HG3 GLU 43 HG3 GLU 43 5.540 5.428 9.744
317 H TRP 44 H TRP 44 4.260 2.801 8.028
318 HA TRP 44 HA TRP 44 3.221 3.284 5.340
319 HB2 TRP 44 HB2 TRP 44 2.099 1.780 7.725
320 HB3 TRP 44 HB3 TRP 44 1.306 1.941 6.171
321 HD1 TRP 44 HD1 TRP 44 4.624 0.467 7.542
322 HE1 TRP 44 HE1 TRP 44 5.356 -1.484 6.118
323 HE3 TRP 44 HE3 TRP 44 0.942 0.692 4.104
324 HZ2 TRP 44 HZ2 TRP 44 4.433 -2.788 3.705
325 HZ3 TRP 44 HZ3 TRP 44 0.861 -0.926 2.191
326 HH2 TRP 44 HH2 TRP 44 2.595 -2.649 1.983
327 H THR 45 H THR 45 1.758 4.818 4.842
328 HA THR 45 HA THR 45 0.355 6.365 6.945
329 HB THR 45 HB THR 45 0.683 8.328 5.562
330 HG1 THR 45 HG1 THR 45 1.870 8.073 3.570
331 HG21 THR 45 HG21 THR 45 2.694 7.621 6.950
332 HG22 THR 45 HG22 THR 45 3.075 8.627 5.537
333 HG23 THR 45 HG23 THR 45 3.363 6.876 5.478
334 H TYR 46 H TYR 46 -1.598 7.686 5.768
335 HA TYR 46 HA TYR 46 -2.855 6.042 3.674
336 HB2 TYR 46 HB2 TYR 46 -3.594 4.999 5.751
337 HB3 TYR 46 HB3 TYR 46 -4.050 6.557 6.413
338 HD1 TYR 46 HD1 TYR 46 -4.700 4.543 3.287
339 HD2 TYR 46 HD2 TYR 46 -6.358 7.009 6.410
340 HE1 TYR 46 HE1 TYR 46 -6.935 4.295 2.277
341 HE2 TYR 46 HE2 TYR 46 -8.614 6.692 5.471
342 HH TYR 46 HH TYR 46 -9.825 5.954 3.608
343 H ASP 47 H ASP 47 -3.950 7.246 2.289
344 HA ASP 47 HA ASP 47 -4.513 10.136 2.819
345 HB2 ASP 47 HB2 ASP 47 -3.566 8.760 0.252
346 HB3 ASP 47 HB3 ASP 47 -4.212 10.385 0.331
347 H ASP 48 H ASP 48 -6.641 9.398 3.541
348 HA ASP 48 HA ASP 48 -8.374 7.648 2.182
349 HB2 ASP 48 HB2 ASP 48 -8.659 8.792 4.478
350 HB3 ASP 48 HB3 ASP 48 -9.326 10.146 3.607
351 H ALA 49 H ALA 49 -7.727 10.984 1.711
352 HA ALA 49 HA ALA 49 -9.713 11.977 0.068
353 HB1 ALA 49 HB1 ALA 49 -6.708 12.358 -0.244
354 HB2 ALA 49 HB2 ALA 49 -7.972 13.481 -0.815
355 HB3 ALA 49 HB3 ALA 49 -7.753 13.217 0.920
356 H THR 50 H THR 50 -7.264 9.650 -0.858
357 HA THR 50 HA THR 50 -8.513 9.286 -3.516
358 HB THR 50 HB THR 50 -6.675 10.752 -4.013
359 HG1 THR 50 HG1 THR 50 -5.560 9.416 -5.446
360 HG21 THR 50 HG21 THR 50 -5.023 8.886 -2.301
361 HG22 THR 50 HG22 THR 50 -5.208 10.636 -2.158
362 HG23 THR 50 HG23 THR 50 -4.281 9.963 -3.506
363 H LYS 51 H LYS 51 -8.357 8.041 -0.704
364 HA LYS 51 HA LYS 51 -7.908 6.108 0.366
365 HB2 LYS 51 HB2 LYS 51 -9.134 4.155 -0.814
366 HB3 LYS 51 HB3 LYS 51 -9.993 5.521 -0.139
367 HG2 LYS 51 HG2 LYS 51 -10.405 6.492 -2.292
368 HG3 LYS 51 HG3 LYS 51 -9.249 5.401 -3.076
369 HD2 LYS 51 HD2 LYS 51 -11.568 4.732 -3.507
370 HD3 LYS 51 HD3 LYS 51 -10.596 3.508 -2.690
371 HE2 LYS 51 HE2 LYS 51 -12.834 3.521 -1.756
372 HE3 LYS 51 HE3 LYS 51 -11.655 3.999 -0.535
373 HZ1 LYS 51 HZ1 LYS 51 -13.433 5.842 -2.018
374 HZ2 LYS 51 HZ2 LYS 51 -12.338 6.298 -0.857
375 HZ3 LYS 51 HZ3 LYS 51 -13.579 5.365 -0.429
376 H THR 52 H THR 52 -5.662 6.772 -0.284
377 HA THR 52 HA THR 52 -4.334 4.467 -1.578
378 HB THR 52 HB THR 52 -3.638 7.419 -1.543
379 HG1 THR 52 HG1 THR 52 -5.269 6.565 -3.074
380 HG21 THR 52 HG21 THR 52 -2.048 5.121 -2.722
381 HG22 THR 52 HG22 THR 52 -1.511 6.298 -1.500
382 HG23 THR 52 HG23 THR 52 -1.831 6.838 -3.147
383 H PHE 53 H PHE 53 -2.299 3.905 -0.684
384 HA PHE 53 HA PHE 53 -1.716 4.621 2.171
385 HB2 PHE 53 HB2 PHE 53 -1.727 1.965 0.654
386 HB3 PHE 53 HB3 PHE 53 -0.936 2.161 2.181
387 HD1 PHE 53 HD1 PHE 53 -4.134 2.010 0.468
388 HD2 PHE 53 HD2 PHE 53 -2.224 2.398 4.285
389 HE1 PHE 53 HE1 PHE 53 -6.253 1.239 1.615
390 HE2 PHE 53 HE2 PHE 53 -4.310 1.668 5.429
391 HZ PHE 53 HZ PHE 53 -6.312 1.041 4.086
392 H THR 54 H THR 54 0.602 4.945 2.539
393 HA THR 54 HA THR 54 2.309 4.411 0.182
394 HB THR 54 HB THR 54 2.495 6.898 1.876
395 HG1 THR 54 HG1 THR 54 0.592 6.931 0.767
396 HG21 THR 54 HG21 THR 54 3.813 7.694 -0.134
397 HG22 THR 54 HG22 THR 54 3.881 6.014 -0.657
398 HG23 THR 54 HG23 THR 54 4.582 6.474 0.897
399 H VAL 55 H VAL 55 4.268 3.486 0.772
400 HA VAL 55 HA VAL 55 4.824 3.259 3.709
401 HB VAL 55 HB VAL 55 4.070 1.147 2.962
402 HG11 VAL 55 HG11 VAL 55 5.050 -0.207 1.275
403 HG12 VAL 55 HG12 VAL 55 4.368 1.270 0.563
404 HG13 VAL 55 HG13 VAL 55 6.123 1.122 0.772
405 HG21 VAL 55 HG21 VAL 55 6.046 -0.256 3.475
406 HG22 VAL 55 HG22 VAL 55 7.114 1.127 3.181
407 HG23 VAL 55 HG23 VAL 55 5.961 1.166 4.536
408 H THR 56 H THR 56 6.508 4.507 4.197
409 HA THR 56 HA THR 56 8.452 5.124 2.042
410 HB THR 56 HB THR 56 8.467 6.604 4.604
411 HG1 THR 56 HG1 THR 56 6.310 6.621 4.064
412 HG21 THR 56 HG21 THR 56 9.202 8.410 3.131
413 HG22 THR 56 HG22 THR 56 8.843 7.432 1.694
414 HG23 THR 56 HG23 THR 56 10.152 6.946 2.779
415 H GLU 57 H GLU 57 9.954 3.559 2.103
416 HA GLU 57 HA GLU 57 10.890 2.126 4.429
417 HB2 GLU 57 HB2 GLU 57 10.878 1.497 1.825
418 HB3 GLU 57 HB3 GLU 57 12.364 2.417 1.842
419 HG2 GLU 57 HG2 GLU 57 12.623 0.638 3.992
420 HG3 GLU 57 HG3 GLU 57 11.850 -0.286 2.701
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