Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
614233 | 1orl RC | 5767 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H LYS 1 1H LYS 1 -2.655 4.246 -9.525
2 2H LYS 1 2H LYS 1 -3.487 3.559 -8.274
3 3H LYS 1 3H LYS 1 -2.838 5.041 -8.084
4 HA LYS 1 HA LYS 1 -1.361 2.564 -8.502
5 1HB LYS 1 1HB LYS 1 0.672 3.785 -8.281
6 2HB LYS 1 2HB LYS 1 -0.319 4.645 -9.468
7 1HG LYS 1 1HG LYS 1 -1.055 6.173 -7.507
8 2HG LYS 1 2HG LYS 1 0.233 5.392 -6.572
9 1HD LYS 1 1HD LYS 1 1.858 6.086 -8.406
10 2HD LYS 1 2HD LYS 1 0.524 7.015 -9.121
11 1HE LYS 1 1HE LYS 1 0.296 8.111 -6.761
12 2HE LYS 1 2HE LYS 1 1.885 7.397 -6.420
13 1HZ LYS 1 1HZ LYS 1 2.688 8.620 -8.372
14 2HZ LYS 1 2HZ LYS 1 1.194 9.319 -8.524
15 3HZ LYS 1 3HZ LYS 1 2.111 9.605 -7.182
16 H SER 2 H SER 2 0.051 2.024 -6.610
17 HA SER 2 HA SER 2 -1.394 2.242 -4.070
18 1HB SER 2 1HB SER 2 1.251 0.900 -4.764
19 2HB SER 2 2HB SER 2 0.359 0.747 -3.237
20 HG SER 2 HG SER 2 -0.205 -0.970 -4.496
21 H CYS 3 H CYS 3 -0.631 3.342 -2.240
22 HA CYS 3 HA CYS 3 1.757 5.091 -2.471
23 1HB CYS 3 1HB CYS 3 -1.107 6.022 -2.078
24 2HB CYS 3 2HB CYS 3 0.303 7.001 -1.641
25 H CYS 4 H CYS 4 2.876 4.928 -0.670
26 HA CYS 4 HA CYS 4 1.622 3.847 1.796
27 1HB CYS 4 1HB CYS 4 4.341 3.437 0.520
28 2HB CYS 4 2HB CYS 4 3.989 2.940 2.159
29 HA PRO 5 HA PRO 5 3.293 7.358 4.038
30 1HB PRO 5 1HB PRO 5 3.909 6.232 6.458
31 2HB PRO 5 2HB PRO 5 2.246 6.555 5.908
32 1HG PRO 5 1HG PRO 5 3.746 3.931 5.740
33 2HG PRO 5 2HG PRO 5 2.094 4.220 6.359
34 1HD PRO 5 1HD PRO 5 2.481 3.352 3.847
35 2HD PRO 5 2HD PRO 5 1.253 4.605 4.171
36 H ASN 6 H ASN 6 5.168 4.290 3.974
37 HA ASN 6 HA ASN 6 7.701 5.706 3.639
38 1HB ASN 6 1HB ASN 6 8.647 4.770 5.769
39 2HB ASN 6 2HB ASN 6 7.435 6.024 5.999
40 1HD2 ASN 6 2HD2 ASN 6 5.975 5.592 7.580
41 2HD2 ASN 6 1HD2 ASN 6 5.411 4.000 8.034
42 H THR 7 H THR 7 9.534 4.086 3.889
43 HA THR 7 HA THR 7 9.287 2.172 1.871
44 HB THR 7 HB THR 7 11.425 2.354 4.030
45 HG1 THR 7 1HG THR 7 12.374 3.835 2.573
46 1HG2 THR 7 1HG2 THR 7 12.928 1.560 2.237
47 2HG2 THR 7 2HG2 THR 7 11.646 0.375 2.529
48 3HG2 THR 7 3HG2 THR 7 11.556 1.448 1.113
49 H THR 8 H THR 8 9.036 1.814 5.443
50 HA THR 8 HA THR 8 9.121 -1.038 5.445
51 HB THR 8 HB THR 8 7.675 0.705 7.469
52 HG1 THR 8 1HG THR 8 9.722 0.756 8.484
53 1HG2 THR 8 1HG2 THR 8 9.098 -1.995 7.640
54 2HG2 THR 8 2HG2 THR 8 8.379 -1.118 9.006
55 3HG2 THR 8 3HG2 THR 8 7.342 -1.737 7.709
56 H GLY 9 H GLY 9 6.479 1.354 5.085
57 1HA GLY 9 1HA GLY 9 4.253 -0.380 5.023
58 2HA GLY 9 2HA GLY 9 4.400 1.161 4.161
59 H ARG 10 H ARG 10 6.352 0.799 2.326
60 HA ARG 10 HA ARG 10 5.204 -0.785 0.282
61 1HB ARG 10 1HB ARG 10 8.010 0.332 0.654
62 2HB ARG 10 2HB ARG 10 7.541 -0.557 -0.793
63 1HG ARG 10 1HG ARG 10 6.055 1.912 0.174
64 2HG ARG 10 2HG ARG 10 7.417 1.963 -0.953
65 1HD ARG 10 1HD ARG 10 6.249 0.517 -2.540
66 2HD ARG 10 2HD ARG 10 4.839 0.409 -1.471
67 HE ARG 10 HE ARG 10 5.242 3.133 -1.840
68 1HH1 ARG 10 1HH2 ARG 10 4.419 0.306 -3.833
69 2HH1 ARG 10 2HH2 ARG 10 3.562 1.256 -5.023
70 1HH2 ARG 10 1HH1 ARG 10 4.158 4.344 -3.417
71 2HH2 ARG 10 2HH1 ARG 10 3.296 3.554 -4.711
72 H ASN 11 H ASN 11 7.924 -1.574 2.493
73 HA ASN 11 HA ASN 11 8.579 -4.068 1.382
74 1HB ASN 11 1HB ASN 11 10.019 -3.000 2.973
75 2HB ASN 11 2HB ASN 11 8.776 -3.003 4.221
76 1HD2 ASN 11 2HD2 ASN 11 8.254 -4.939 5.340
77 2HD2 ASN 11 1HD2 ASN 11 9.349 -6.303 5.314
78 H ILE 12 H ILE 12 6.204 -3.360 4.039
79 HA ILE 12 HA ILE 12 5.506 -6.111 4.395
80 HB ILE 12 HB ILE 12 4.030 -3.567 5.128
81 1HG1 ILE 12 1HG1 ILE 12 5.670 -5.467 6.866
82 2HG1 ILE 12 2HG1 ILE 12 6.334 -3.997 6.164
83 1HG2 ILE 12 1HG2 ILE 12 3.572 -6.441 6.072
84 2HG2 ILE 12 2HG2 ILE 12 2.720 -5.012 6.684
85 3HG2 ILE 12 3HG2 ILE 12 2.464 -5.535 5.028
86 1HD1 ILE 12 1HD1 ILE 12 4.078 -4.126 8.195
87 2HD1 ILE 12 2HD1 ILE 12 5.713 -3.497 8.413
88 3HD1 ILE 12 3HD1 ILE 12 4.582 -2.649 7.340
89 H TYR 13 H TYR 13 3.959 -3.457 2.530
90 HA TYR 13 HA TYR 13 1.756 -4.802 1.490
91 1HB TYR 13 1HB TYR 13 2.035 -2.427 1.221
92 2HB TYR 13 2HB TYR 13 3.546 -2.637 0.349
93 HD1 TYR 13 1HD TYR 13 3.449 -2.205 -1.942
94 HD2 TYR 13 2HD TYR 13 -0.029 -3.805 0.033
95 HE1 TYR 13 1HE TYR 13 2.218 -2.170 -4.083
96 HE2 TYR 13 2HE TYR 13 -1.251 -3.809 -2.121
97 HH TYR 13 HH TYR 13 0.290 -2.764 -5.186
98 H ASN 14 H ASN 14 5.034 -4.534 0.039
99 HA ASN 14 HA ASN 14 4.540 -6.174 -2.219
100 1HB ASN 14 1HB ASN 14 7.027 -5.211 -0.789
101 2HB ASN 14 2HB ASN 14 7.150 -6.436 -2.043
102 1HD2 ASN 14 2HD2 ASN 14 6.021 -3.085 -1.472
103 2HD2 ASN 14 1HD2 ASN 14 6.123 -2.618 -3.161
104 H THR 15 H THR 15 5.835 -7.036 1.046
105 HA THR 15 HA THR 15 6.416 -9.741 0.400
106 HB THR 15 HB THR 15 5.654 -8.508 3.082
107 HG1 THR 15 1HG THR 15 7.466 -7.556 2.117
108 1HG2 THR 15 1HG2 THR 15 6.961 -10.389 4.033
109 2HG2 THR 15 2HG2 THR 15 5.531 -10.982 3.175
110 3HG2 THR 15 3HG2 THR 15 7.134 -11.094 2.414
111 H CYS 16 H CYS 16 3.476 -8.219 1.757
112 HA CYS 16 HA CYS 16 1.916 -10.574 2.052
113 1HB CYS 16 1HB CYS 16 1.418 -8.554 3.207
114 2HB CYS 16 2HB CYS 16 1.242 -7.637 1.717
115 H ARG 17 H ARG 17 2.237 -8.257 -0.677
116 HA ARG 17 HA ARG 17 0.343 -9.489 -2.410
117 1HB ARG 17 1HB ARG 17 2.831 -7.817 -2.897
118 2HB ARG 17 2HB ARG 17 1.775 -8.327 -4.208
119 1HG ARG 17 1HG ARG 17 0.462 -6.938 -1.874
120 2HG ARG 17 2HG ARG 17 1.512 -5.973 -2.919
121 1HD ARG 17 1HD ARG 17 -0.798 -5.871 -3.661
122 2HD ARG 17 2HD ARG 17 0.269 -6.551 -4.883
123 HE ARG 17 HE ARG 17 -1.450 -8.223 -3.055
124 1HH1 ARG 17 1HH2 ARG 17 -0.326 -7.589 -6.398
125 2HH1 ARG 17 2HH2 ARG 17 -1.256 -8.908 -7.052
126 1HH2 ARG 17 1HH1 ARG 17 -2.624 -9.908 -3.968
127 2HH2 ARG 17 2HH1 ARG 17 -2.569 -10.218 -5.686
128 H PHE 18 H PHE 18 3.840 -10.059 -1.895
129 HA PHE 18 HA PHE 18 4.203 -11.915 -4.001
130 1HB PHE 18 1HB PHE 18 5.918 -10.629 -2.525
131 2HB PHE 18 2HB PHE 18 5.783 -11.984 -1.416
132 HD1 PHE 18 1HD PHE 18 7.321 -10.669 -4.396
133 HD2 PHE 18 2HD PHE 18 6.316 -14.363 -2.400
134 HE1 PHE 18 1HE PHE 18 9.002 -11.867 -5.760
135 HE2 PHE 18 2HE PHE 18 7.976 -15.559 -3.800
136 HZ PHE 18 HZ PHE 18 9.340 -14.311 -5.461
137 H ALA 19 H ALA 19 3.324 -12.352 -0.547
138 HA ALA 19 HA ALA 19 3.167 -15.192 -0.533
139 1HB ALA 19 1HB ALA 19 3.216 -13.899 1.523
140 2HB ALA 19 2HB ALA 19 1.675 -13.113 1.120
141 3HB ALA 19 3HB ALA 19 1.721 -14.855 1.456
142 H GLY 20 H GLY 20 0.707 -12.676 -1.235
143 1HA GLY 20 1HA GLY 20 -0.569 -13.153 -3.293
144 2HA GLY 20 2HA GLY 20 -0.977 -14.736 -2.630
145 H GLY 21 H GLY 21 -0.914 -11.764 -0.633
146 1HA GLY 21 1HA GLY 21 -3.768 -12.048 -0.053
147 2HA GLY 21 2HA GLY 21 -2.648 -10.867 0.632
148 H SER 22 H SER 22 -5.350 -10.393 -0.533
149 HA SER 22 HA SER 22 -5.244 -9.336 -3.141
150 1HB SER 22 1HB SER 22 -7.022 -8.361 -0.880
151 2HB SER 22 2HB SER 22 -7.375 -8.364 -2.615
152 HG SER 22 HG SER 22 -7.353 -10.646 -2.533
153 H ARG 23 H ARG 23 -5.164 -7.130 -3.880
154 HA ARG 23 HA ARG 23 -2.965 -5.719 -2.935
155 1HB ARG 23 1HB ARG 23 -5.305 -4.743 -4.626
156 2HB ARG 23 2HB ARG 23 -3.834 -3.824 -4.293
157 1HG ARG 23 1HG ARG 23 -2.481 -5.720 -5.287
158 2HG ARG 23 2HG ARG 23 -4.014 -6.437 -5.812
159 1HD ARG 23 1HD ARG 23 -3.085 -5.146 -7.629
160 2HD ARG 23 2HD ARG 23 -4.530 -4.308 -7.031
161 HE ARG 23 HE ARG 23 -2.208 -3.310 -5.684
162 1HH1 ARG 23 1HH2 ARG 23 -3.699 -3.264 -8.902
163 2HH1 ARG 23 2HH2 ARG 23 -3.042 -1.707 -9.329
164 1HH2 ARG 23 1HH1 ARG 23 -1.416 -1.208 -6.222
165 2HH2 ARG 23 2HH1 ARG 23 -1.713 -0.560 -7.812
166 H GLU 24 H GLU 24 -6.411 -4.721 -2.464
167 HA GLU 24 HA GLU 24 -5.701 -2.525 -0.794
168 1HB GLU 24 1HB GLU 24 -8.227 -3.873 -1.607
169 2HB GLU 24 2HB GLU 24 -8.289 -3.080 -0.031
170 1HG GLU 24 1HG GLU 24 -7.300 -1.699 -2.554
171 2HG GLU 24 2HG GLU 24 -8.958 -1.606 -1.940
172 HE2 GLU 24 HE GLU 24 -8.107 0.386 0.869
173 H ARG 25 H ARG 25 -6.422 -5.938 0.014
174 HA ARG 25 HA ARG 25 -6.623 -5.557 2.806
175 1HB ARG 25 1HB ARG 25 -7.252 -7.592 1.466
176 2HB ARG 25 2HB ARG 25 -5.541 -8.022 1.362
177 1HG ARG 25 1HG ARG 25 -5.375 -8.320 3.746
178 2HG ARG 25 2HG ARG 25 -6.909 -7.479 4.028
179 1HD ARG 25 1HD ARG 25 -7.250 -9.845 4.311
180 2HD ARG 25 2HD ARG 25 -8.162 -9.244 2.927
181 HE ARG 25 HE ARG 25 -5.478 -10.550 2.631
182 1HH1 ARG 25 1HH2 ARG 25 -8.961 -10.631 1.805
183 2HH1 ARG 25 2HH2 ARG 25 -8.755 -11.934 0.670
184 1HH2 ARG 25 1HH1 ARG 25 -5.302 -12.320 1.236
185 2HH2 ARG 25 2HH1 ARG 25 -6.682 -12.880 0.327
186 H CYS 26 H CYS 26 -3.832 -6.431 0.748
187 HA CYS 26 HA CYS 26 -1.838 -6.414 2.770
188 1HB CYS 26 1HB CYS 26 -1.688 -5.890 -0.231
189 2HB CYS 26 2HB CYS 26 -0.285 -6.084 0.819
190 H ALA 27 H ALA 27 -3.121 -3.786 0.700
191 HA ALA 27 HA ALA 27 -1.215 -1.826 1.469
192 1HB ALA 27 1HB ALA 27 -4.106 -1.398 0.611
193 2HB ALA 27 2HB ALA 27 -2.787 -0.214 0.560
194 3HB ALA 27 3HB ALA 27 -2.727 -1.641 -0.484
195 H LYS 28 H LYS 28 -4.567 -2.424 2.732
196 HA LYS 28 HA LYS 28 -4.573 -0.589 4.794
197 1HB LYS 28 1HB LYS 28 -6.427 -1.989 3.843
198 2HB LYS 28 2HB LYS 28 -5.823 -3.377 4.755
199 1HG LYS 28 1HG LYS 28 -6.150 -2.175 6.862
200 2HG LYS 28 2HG LYS 28 -6.636 -0.711 5.974
201 1HD LYS 28 1HD LYS 28 -8.595 -1.871 5.058
202 2HD LYS 28 2HD LYS 28 -8.101 -3.385 5.849
203 1HE LYS 28 1HE LYS 28 -8.335 -2.299 8.073
204 2HE LYS 28 2HE LYS 28 -8.827 -0.786 7.285
205 1HZ LYS 28 1HZ LYS 28 -10.263 -3.344 7.122
206 2HZ LYS 28 2HZ LYS 28 -10.695 -2.049 8.046
207 3HZ LYS 28 3HZ LYS 28 -10.724 -1.933 6.403
208 H LEU 29 H LEU 29 -3.629 -4.027 4.882
209 HA LEU 29 HA LEU 29 -2.916 -4.351 7.543
210 1HB LEU 29 1HB LEU 29 -3.093 -6.157 5.881
211 2HB LEU 29 2HB LEU 29 -1.692 -5.520 5.015
212 HG LEU 29 HG LEU 29 -0.254 -6.030 7.011
213 1HD1 LEU 29 1HD1 LEU 29 -1.971 -6.040 8.787
214 2HD1 LEU 29 2HD1 LEU 29 -2.793 -7.410 8.005
215 3HD1 LEU 29 3HD1 LEU 29 -1.170 -7.613 8.698
216 1HD2 LEU 29 1HD2 LEU 29 -0.354 -7.538 5.107
217 2HD2 LEU 29 2HD2 LEU 29 -0.275 -8.484 6.603
218 3HD2 LEU 29 3HD2 LEU 29 -1.822 -8.311 5.744
219 H SER 30 H SER 30 -0.906 -3.165 4.827
220 HA SER 30 HA SER 30 1.480 -2.873 6.479
221 1HB SER 30 1HB SER 30 2.467 -1.938 4.452
222 2HB SER 30 2HB SER 30 1.659 -3.487 4.132
223 HG SER 30 HG SER 30 -0.078 -2.347 3.273
224 H GLY 31 H GLY 31 -1.196 -0.821 5.530
225 1HA GLY 31 1HA GLY 31 -1.788 1.146 6.701
226 2HA GLY 31 2HA GLY 31 -0.098 1.461 7.105
227 H CYS 32 H CYS 32 -0.817 0.414 3.846
228 HA CYS 32 HA CYS 32 -0.365 3.118 2.715
229 1HB CYS 32 1HB CYS 32 -0.455 0.404 1.355
230 2HB CYS 32 2HB CYS 32 0.127 1.905 0.666
231 H LYS 33 H LYS 33 -1.761 3.678 0.816
232 HA LYS 33 HA LYS 33 -4.426 2.323 0.759
233 1HB LYS 33 1HB LYS 33 -5.397 4.367 0.026
234 2HB LYS 33 2HB LYS 33 -4.465 4.687 1.495
235 1HG LYS 33 1HG LYS 33 -2.597 5.595 0.052
236 2HG LYS 33 2HG LYS 33 -3.569 5.264 -1.390
237 1HD LYS 33 1HD LYS 33 -3.767 7.581 -0.883
238 2HD LYS 33 2HD LYS 33 -5.335 6.812 -0.557
239 1HE LYS 33 1HE LYS 33 -4.823 6.774 1.868
240 2HE LYS 33 2HE LYS 33 -3.199 7.384 1.523
241 1HZ LYS 33 1HZ LYS 33 -5.708 8.822 1.006
242 2HZ LYS 33 2HZ LYS 33 -4.685 9.102 2.267
243 3HZ LYS 33 3HZ LYS 33 -4.189 9.400 0.724
244 H ILE 34 H ILE 34 -5.413 2.474 -1.441
245 HA ILE 34 HA ILE 34 -3.558 2.825 -3.694
246 HB ILE 34 HB ILE 34 -5.516 0.495 -3.569
247 1HG1 ILE 34 1HG1 ILE 34 -2.512 0.524 -3.089
248 2HG1 ILE 34 2HG1 ILE 34 -3.781 0.005 -1.971
249 1HG2 ILE 34 1HG2 ILE 34 -4.960 1.500 -5.835
250 2HG2 ILE 34 2HG2 ILE 34 -3.261 1.087 -5.538
251 3HG2 ILE 34 3HG2 ILE 34 -4.496 -0.182 -5.673
252 1HD1 ILE 34 1HD1 ILE 34 -4.395 -1.812 -3.505
253 2HD1 ILE 34 2HD1 ILE 34 -3.004 -1.388 -4.544
254 3HD1 ILE 34 3HD1 ILE 34 -2.726 -1.936 -2.891
255 H ILE 35 H ILE 35 -4.518 4.023 -5.270
256 HA ILE 35 HA ILE 35 -7.444 4.439 -5.269
257 HB ILE 35 HB ILE 35 -7.210 6.862 -5.232
258 1HG1 ILE 35 1HG1 ILE 35 -4.242 6.390 -4.671
259 2HG1 ILE 35 2HG1 ILE 35 -4.951 7.141 -6.109
260 1HG2 ILE 35 1HG2 ILE 35 -7.604 5.596 -3.100
261 2HG2 ILE 35 2HG2 ILE 35 -5.865 5.737 -2.747
262 3HG2 ILE 35 3HG2 ILE 35 -6.879 7.184 -2.871
263 1HD1 ILE 35 1HD1 ILE 35 -4.890 8.259 -3.293
264 2HD1 ILE 35 2HD1 ILE 35 -4.199 8.929 -4.779
265 3HD1 ILE 35 3HD1 ILE 35 -5.958 8.905 -4.561
266 H SER 36 H SER 36 -8.238 5.296 -7.248
267 HA SER 36 HA SER 36 -6.463 4.878 -9.582
268 1HB SER 36 1HB SER 36 -8.613 4.968 -10.829
269 2HB SER 36 2HB SER 36 -8.605 3.733 -9.561
270 HG SER 36 HG SER 36 -9.754 6.324 -9.384
271 H ALA 37 H ALA 37 -6.539 7.368 -7.639
272 HA ALA 37 HA ALA 37 -7.367 9.534 -9.403
273 1HB ALA 37 1HB ALA 37 -7.608 9.608 -6.929
274 2HB ALA 37 2HB ALA 37 -5.836 9.599 -6.786
275 3HB ALA 37 3HB ALA 37 -6.655 10.959 -7.576
276 H SER 38 H SER 38 -4.455 7.702 -8.838
277 HA SER 38 HA SER 38 -2.454 7.642 -9.767
278 1HB SER 38 1HB SER 38 -3.585 8.312 -11.883
279 2HB SER 38 2HB SER 38 -3.199 10.005 -11.510
280 HG SER 38 HG SER 38 -1.347 7.881 -11.831
281 H THR 39 H THR 39 -3.554 10.841 -8.746
282 HA THR 39 HA THR 39 -0.852 11.536 -7.720
283 HB THR 39 HB THR 39 -3.388 13.193 -7.991
284 HG1 THR 39 1HG THR 39 -1.054 13.023 -9.594
285 1HG2 THR 39 1HG2 THR 39 -1.869 15.113 -7.669
286 2HG2 THR 39 2HG2 THR 39 -1.855 14.061 -6.244
287 3HG2 THR 39 3HG2 THR 39 -0.504 14.010 -7.400
288 H CYS 40 H CYS 40 -0.500 11.402 -5.588
289 HA CYS 40 HA CYS 40 -2.718 10.677 -3.734
290 1HB CYS 40 1HB CYS 40 0.203 9.881 -3.898
291 2HB CYS 40 2HB CYS 40 -0.758 9.616 -2.441
292 HA PRO 41 HA PRO 41 -1.822 14.433 -1.639
293 1HB PRO 41 1HB PRO 41 -2.525 13.910 0.958
294 2HB PRO 41 2HB PRO 41 -3.709 13.977 -0.378
295 1HG PRO 41 1HG PRO 41 -2.378 11.509 0.776
296 2HG PRO 41 2HG PRO 41 -4.126 11.786 0.509
297 1HD PRO 41 1HD PRO 41 -2.616 10.430 -1.292
298 2HD PRO 41 2HD PRO 41 -3.877 11.566 -1.847
299 H SER 42 H SER 42 -0.409 15.483 -0.102
300 HA SER 42 HA SER 42 2.210 14.288 0.125
301 1HB SER 42 1HB SER 42 1.114 16.919 1.199
302 2HB SER 42 2HB SER 42 2.826 16.457 1.082
303 HG SER 42 HG SER 42 2.472 16.232 -1.200
304 H ASP 43 H ASP 43 1.211 12.486 1.330
305 HA ASP 43 HA ASP 43 1.618 12.630 4.239
306 1HB ASP 43 1HB ASP 43 -1.046 11.911 2.931
307 2HB ASP 43 2HB ASP 43 -0.625 11.489 4.598
308 HD2 ASP 43 HD ASP 43 0.067 13.321 5.924
309 H TYR 44 H TYR 44 0.860 10.792 1.269
310 HA TYR 44 HA TYR 44 2.304 8.416 2.357
311 1HB TYR 44 1HB TYR 44 0.097 8.588 0.292
312 2HB TYR 44 2HB TYR 44 1.033 7.157 0.689
313 HD1 TYR 44 1HD TYR 44 -1.195 9.725 2.339
314 HD2 TYR 44 2HD TYR 44 0.162 5.642 2.243
315 HE1 TYR 44 1HE TYR 44 -2.710 9.175 4.214
316 HE2 TYR 44 2HE TYR 44 -1.566 5.041 3.901
317 HH TYR 44 HH TYR 44 -3.635 7.483 5.495
318 HA PRO 45 HA PRO 45 4.594 10.641 -1.020
319 1HB PRO 45 1HB PRO 45 7.065 10.898 0.097
320 2HB PRO 45 2HB PRO 45 5.679 11.931 0.550
321 1HG PRO 45 1HG PRO 45 6.639 9.429 1.975
322 2HG PRO 45 2HG PRO 45 6.328 11.041 2.683
323 1HD PRO 45 1HD PRO 45 4.444 9.101 2.762
324 2HD PRO 45 2HD PRO 45 4.017 10.810 2.439
325 H LYS 46 H LYS 46 5.006 7.440 0.273
326 HA LYS 46 HA LYS 46 7.047 6.749 -1.816
327 1HB LYS 46 1HB LYS 46 6.119 5.382 0.730
328 2HB LYS 46 2HB LYS 46 6.891 4.496 -0.586
329 1HG LYS 46 1HG LYS 46 8.540 5.043 1.035
330 2HG LYS 46 2HG LYS 46 8.881 5.890 -0.481
331 1HD LYS 46 1HD LYS 46 8.108 8.001 0.444
332 2HD LYS 46 2HD LYS 46 7.413 7.181 1.854
333 1HE LYS 46 1HE LYS 46 9.476 8.259 2.515
334 2HE LYS 46 2HE LYS 46 9.723 6.506 2.562
335 1HZ LYS 46 1HZ LYS 46 10.800 6.671 0.432
336 2HZ LYS 46 2HZ LYS 46 10.566 8.303 0.396
337 3HZ LYS 46 3HZ LYS 46 11.546 7.635 1.541
Start of MODEL 2
1 1H LYS 1 1H LYS 1 -2.795 6.997 -8.008
2 2H LYS 1 2H LYS 1 -2.825 5.663 -7.061
3 3H LYS 1 3H LYS 1 -2.176 7.072 -6.490
4 HA LYS 1 HA LYS 1 -1.193 5.417 -8.688
5 1HB LYS 1 1HB LYS 1 0.694 6.945 -8.936
6 2HB LYS 1 2HB LYS 1 -0.842 7.752 -9.214
7 1HG LYS 1 1HG LYS 1 -0.745 8.678 -6.882
8 2HG LYS 1 2HG LYS 1 0.863 7.940 -6.702
9 1HD LYS 1 1HD LYS 1 1.689 9.292 -8.613
10 2HD LYS 1 2HD LYS 1 0.061 9.943 -8.858
11 1HE LYS 1 1HE LYS 1 1.357 11.600 -7.691
12 2HE LYS 1 2HE LYS 1 0.123 10.971 -6.587
13 1HZ LYS 1 1HZ LYS 1 1.838 9.565 -5.632
14 2HZ LYS 1 2HZ LYS 1 2.965 10.211 -6.646
15 3HZ LYS 1 3HZ LYS 1 2.228 11.159 -5.518
16 H SER 2 H SER 2 -1.708 4.738 -5.782
17 HA SER 2 HA SER 2 -0.835 3.401 -4.248
18 1HB SER 2 1HB SER 2 1.219 2.695 -6.367
19 2HB SER 2 2HB SER 2 0.777 1.732 -4.948
20 HG SER 2 HG SER 2 -1.422 1.823 -5.810
21 H CYS 3 H CYS 3 -0.128 4.578 -2.527
22 HA CYS 3 HA CYS 3 2.699 5.580 -2.534
23 1HB CYS 3 1HB CYS 3 0.270 7.087 -1.527
24 2HB CYS 3 2HB CYS 3 1.965 7.582 -1.452
25 H CYS 4 H CYS 4 3.816 5.169 -0.707
26 HA CYS 4 HA CYS 4 2.395 3.885 1.582
27 1HB CYS 4 1HB CYS 4 5.095 3.372 0.329
28 2HB CYS 4 2HB CYS 4 4.673 2.747 1.911
29 HA PRO 5 HA PRO 5 4.144 7.007 4.174
30 1HB PRO 5 1HB PRO 5 4.638 5.677 6.522
31 2HB PRO 5 2HB PRO 5 3.007 6.080 5.941
32 1HG PRO 5 1HG PRO 5 4.449 3.437 5.620
33 2HG PRO 5 2HG PRO 5 2.781 3.723 6.195
34 1HD PRO 5 1HD PRO 5 3.260 3.047 3.631
35 2HD PRO 5 2HD PRO 5 2.026 4.252 4.022
36 H ASN 6 H ASN 6 5.935 3.875 4.092
37 HA ASN 6 HA ASN 6 8.509 5.192 3.806
38 1HB ASN 6 1HB ASN 6 9.401 4.434 5.982
39 2HB ASN 6 2HB ASN 6 8.106 5.604 6.184
40 1HD2 ASN 6 2HD2 ASN 6 6.467 5.064 7.585
41 2HD2 ASN 6 1HD2 ASN 6 6.117 3.442 8.137
42 H THR 7 H THR 7 10.282 3.473 4.267
43 HA THR 7 HA THR 7 10.082 1.544 2.279
44 HB THR 7 HB THR 7 12.020 1.586 4.626
45 HG1 THR 7 1HG THR 7 13.197 2.988 3.254
46 1HG2 THR 7 1HG2 THR 7 13.621 0.696 2.958
47 2HG2 THR 7 2HG2 THR 7 12.254 -0.409 3.159
48 3HG2 THR 7 3HG2 THR 7 12.337 0.651 1.733
49 H THR 8 H THR 8 9.483 1.246 5.802
50 HA THR 8 HA THR 8 9.377 -1.639 5.779
51 HB THR 8 HB THR 8 8.132 0.211 7.841
52 HG1 THR 8 1HG THR 8 10.324 0.710 7.541
53 1HG2 THR 8 1HG2 THR 8 9.214 -2.638 7.994
54 2HG2 THR 8 2HG2 THR 8 8.555 -1.690 9.342
55 3HG2 THR 8 3HG2 THR 8 7.497 -2.183 8.011
56 H GLY 9 H GLY 9 7.022 1.031 5.418
57 1HA GLY 9 1HA GLY 9 4.617 -0.457 5.247
58 2HA GLY 9 2HA GLY 9 4.960 1.078 4.435
59 H ARG 10 H ARG 10 6.895 0.579 2.631
60 HA ARG 10 HA ARG 10 5.661 -0.811 0.505
61 1HB ARG 10 1HB ARG 10 8.545 0.000 1.021
62 2HB ARG 10 2HB ARG 10 8.064 -0.811 -0.471
63 1HG ARG 10 1HG ARG 10 6.736 1.743 0.478
64 2HG ARG 10 2HG ARG 10 8.194 1.744 -0.521
65 1HD ARG 10 1HD ARG 10 7.084 0.542 -2.316
66 2HD ARG 10 2HD ARG 10 5.618 0.349 -1.347
67 HE ARG 10 HE ARG 10 6.498 3.124 -1.740
68 1HH1 ARG 10 1HH2 ARG 10 4.502 0.519 -3.120
69 2HH1 ARG 10 2HH2 ARG 10 3.417 1.632 -3.915
70 1HH2 ARG 10 1HH1 ARG 10 5.055 4.530 -2.733
71 2HH2 ARG 10 2HH1 ARG 10 3.759 3.924 -3.737
72 H ASN 11 H ASN 11 8.238 -1.938 2.750
73 HA ASN 11 HA ASN 11 8.631 -4.472 1.604
74 1HB ASN 11 1HB ASN 11 10.161 -3.644 3.239
75 2HB ASN 11 2HB ASN 11 8.893 -3.456 4.450
76 1HD2 ASN 11 2HD2 ASN 11 8.390 -5.139 5.799
77 2HD2 ASN 11 1HD2 ASN 11 9.115 -6.726 5.682
78 H ILE 12 H ILE 12 6.335 -3.568 4.266
79 HA ILE 12 HA ILE 12 5.222 -6.150 4.582
80 HB ILE 12 HB ILE 12 4.089 -3.379 5.103
81 1HG1 ILE 12 1HG1 ILE 12 5.069 -5.477 7.084
82 2HG1 ILE 12 2HG1 ILE 12 6.170 -4.302 6.382
83 1HG2 ILE 12 1HG2 ILE 12 2.182 -4.914 4.866
84 2HG2 ILE 12 2HG2 ILE 12 2.985 -6.116 5.896
85 3HG2 ILE 12 3HG2 ILE 12 2.421 -4.581 6.574
86 1HD1 ILE 12 1HD1 ILE 12 4.799 -2.435 7.262
87 2HD1 ILE 12 2HD1 ILE 12 3.735 -3.607 8.070
88 3HD1 ILE 12 3HD1 ILE 12 5.438 -3.497 8.531
89 H TYR 13 H TYR 13 4.230 -3.413 2.482
90 HA TYR 13 HA TYR 13 1.901 -4.558 1.428
91 1HB TYR 13 1HB TYR 13 2.577 -2.180 1.237
92 2HB TYR 13 2HB TYR 13 3.841 -2.621 0.097
93 HD1 TYR 13 1HD TYR 13 3.315 -2.975 -2.246
94 HD2 TYR 13 2HD TYR 13 0.162 -2.620 0.666
95 HE1 TYR 13 1HE TYR 13 1.638 -2.913 -4.070
96 HE2 TYR 13 2HE TYR 13 -1.510 -2.590 -1.146
97 HH TYR 13 HH TYR 13 -1.877 -2.692 -3.400
98 H ASN 14 H ASN 14 5.228 -4.600 0.079
99 HA ASN 14 HA ASN 14 4.664 -6.165 -2.217
100 1HB ASN 14 1HB ASN 14 7.172 -5.484 -0.652
101 2HB ASN 14 2HB ASN 14 7.227 -6.663 -1.958
102 1HD2 ASN 14 2HD2 ASN 14 6.361 -3.253 -1.264
103 2HD2 ASN 14 1HD2 ASN 14 6.613 -2.708 -2.913
104 H THR 15 H THR 15 5.784 -7.149 1.075
105 HA THR 15 HA THR 15 6.087 -9.905 0.478
106 HB THR 15 HB THR 15 5.391 -8.520 3.105
107 HG1 THR 15 1HG THR 15 7.844 -9.330 1.933
108 1HG2 THR 15 1HG2 THR 15 6.520 -11.303 2.559
109 2HG2 THR 15 2HG2 THR 15 6.438 -10.521 4.152
110 3HG2 THR 15 3HG2 THR 15 4.945 -10.937 3.300
111 H CYS 16 H CYS 16 3.286 -8.072 1.754
112 HA CYS 16 HA CYS 16 1.500 -10.248 2.034
113 1HB CYS 16 1HB CYS 16 1.152 -8.149 3.107
114 2HB CYS 16 2HB CYS 16 1.088 -7.272 1.582
115 H ARG 17 H ARG 17 2.020 -7.998 -0.714
116 HA ARG 17 HA ARG 17 0.056 -9.077 -2.443
117 1HB ARG 17 1HB ARG 17 2.674 -7.607 -2.917
118 2HB ARG 17 2HB ARG 17 1.595 -8.024 -4.243
119 1HG ARG 17 1HG ARG 17 0.377 -6.558 -1.903
120 2HG ARG 17 2HG ARG 17 1.493 -5.672 -2.946
121 1HD ARG 17 1HD ARG 17 -0.834 -5.416 -3.670
122 2HD ARG 17 2HD ARG 17 0.206 -6.125 -4.903
123 HE ARG 17 HE ARG 17 -1.566 -7.776 -3.112
124 1HH1 ARG 17 1HH2 ARG 17 -0.604 -6.951 -6.463
125 2HH1 ARG 17 2HH2 ARG 17 -1.515 -8.271 -7.140
126 1HH2 ARG 17 1HH1 ARG 17 -2.699 -9.471 -4.051
127 2HH2 ARG 17 2HH1 ARG 17 -2.719 -9.695 -5.783
128 H PHE 18 H PHE 18 3.519 -9.898 -2.040
129 HA PHE 18 HA PHE 18 3.645 -11.791 -4.159
130 1HB PHE 18 1HB PHE 18 5.637 -10.782 -3.238
131 2HB PHE 18 2HB PHE 18 5.290 -11.424 -1.634
132 HD1 PHE 18 1HD PHE 18 5.819 -12.621 -5.175
133 HD2 PHE 18 2HD PHE 18 6.331 -13.438 -0.969
134 HE1 PHE 18 1HE PHE 18 7.002 -14.729 -5.724
135 HE2 PHE 18 2HE PHE 18 7.531 -15.532 -1.527
136 HZ PHE 18 HZ PHE 18 7.862 -16.186 -3.902
137 H ALA 19 H ALA 19 3.002 -12.161 -0.644
138 HA ALA 19 HA ALA 19 2.739 -14.967 -0.551
139 1HB ALA 19 1HB ALA 19 2.875 -13.539 1.444
140 2HB ALA 19 2HB ALA 19 1.278 -12.849 1.083
141 3HB ALA 19 3HB ALA 19 1.432 -14.570 1.490
142 H GLY 20 H GLY 20 0.325 -12.418 -1.311
143 1HA GLY 20 1HA GLY 20 -0.902 -13.264 -3.405
144 2HA GLY 20 2HA GLY 20 -1.583 -14.486 -2.324
145 H GLY 21 H GLY 21 -1.232 -11.691 -0.454
146 1HA GLY 21 1HA GLY 21 -4.039 -11.414 -0.162
147 2HA GLY 21 2HA GLY 21 -2.799 -10.328 0.480
148 H SER 22 H SER 22 -5.497 -9.905 -0.974
149 HA SER 22 HA SER 22 -5.060 -8.766 -3.514
150 1HB SER 22 1HB SER 22 -7.168 -8.032 -1.446
151 2HB SER 22 2HB SER 22 -7.256 -7.747 -3.194
152 HG SER 22 HG SER 22 -8.354 -9.656 -2.576
153 H ARG 23 H ARG 23 -5.091 -6.530 -4.161
154 HA ARG 23 HA ARG 23 -3.012 -5.071 -3.068
155 1HB ARG 23 1HB ARG 23 -5.333 -4.076 -4.782
156 2HB ARG 23 2HB ARG 23 -3.868 -3.171 -4.401
157 1HG ARG 23 1HG ARG 23 -2.609 -5.292 -5.365
158 2HG ARG 23 2HG ARG 23 -4.175 -5.649 -6.110
159 1HD ARG 23 1HD ARG 23 -2.872 -4.381 -7.688
160 2HD ARG 23 2HD ARG 23 -4.141 -3.301 -7.062
161 HE ARG 23 HE ARG 23 -1.633 -3.198 -5.563
162 1HH1 ARG 23 1HH2 ARG 23 -3.331 -1.823 -8.374
163 2HH1 ARG 23 2HH2 ARG 23 -2.416 -0.338 -8.335
164 1HH2 ARG 23 1HH1 ARG 23 -0.448 -1.307 -5.555
165 2HH2 ARG 23 2HH1 ARG 23 -0.767 -0.026 -6.703
166 H GLU 24 H GLU 24 -6.507 -4.284 -2.648
167 HA GLU 24 HA GLU 24 -5.986 -2.064 -0.933
168 1HB GLU 24 1HB GLU 24 -8.499 -3.724 -1.367
169 2HB GLU 24 2HB GLU 24 -8.420 -2.227 -0.423
170 1HG GLU 24 1HG GLU 24 -7.518 -1.029 -2.434
171 2HG GLU 24 2HG GLU 24 -7.750 -2.502 -3.391
172 HE2 GLU 24 HE GLU 24 -11.321 -2.274 -3.202
173 H ARG 25 H ARG 25 -6.530 -5.513 -0.242
174 HA ARG 25 HA ARG 25 -6.887 -5.273 2.571
175 1HB ARG 25 1HB ARG 25 -7.233 -7.263 0.935
176 2HB ARG 25 2HB ARG 25 -5.536 -7.644 1.217
177 1HG ARG 25 1HG ARG 25 -7.696 -7.375 3.371
178 2HG ARG 25 2HG ARG 25 -7.189 -8.889 2.609
179 1HD ARG 25 1HD ARG 25 -4.848 -8.465 3.453
180 2HD ARG 25 2HD ARG 25 -5.504 -7.100 4.393
181 HE ARG 25 HE ARG 25 -7.091 -9.367 4.917
182 1HH1 ARG 25 1HH2 ARG 25 -3.787 -8.229 5.533
183 2HH1 ARG 25 2HH2 ARG 25 -3.600 -9.165 6.994
184 1HH2 ARG 25 1HH1 ARG 25 -6.839 -10.583 6.842
185 2HH2 ARG 25 2HH1 ARG 25 -5.348 -10.508 7.744
186 H CYS 26 H CYS 26 -3.985 -5.945 0.573
187 HA CYS 26 HA CYS 26 -2.053 -5.818 2.645
188 1HB CYS 26 1HB CYS 26 -1.782 -5.244 -0.327
189 2HB CYS 26 2HB CYS 26 -0.448 -5.477 0.799
190 H ALA 27 H ALA 27 -3.502 -3.262 0.619
191 HA ALA 27 HA ALA 27 -1.828 -1.099 1.265
192 1HB ALA 27 1HB ALA 27 -4.859 -0.937 0.964
193 2HB ALA 27 2HB ALA 27 -3.671 0.299 0.607
194 3HB ALA 27 3HB ALA 27 -3.759 -1.157 -0.402
195 H LYS 28 H LYS 28 -4.836 -2.214 2.906
196 HA LYS 28 HA LYS 28 -4.777 -0.413 5.046
197 1HB LYS 28 1HB LYS 28 -6.448 -2.370 4.110
198 2HB LYS 28 2HB LYS 28 -5.837 -3.178 5.546
199 1HG LYS 28 1HG LYS 28 -7.124 -0.403 5.430
200 2HG LYS 28 2HG LYS 28 -7.935 -1.913 5.863
201 1HD LYS 28 1HD LYS 28 -6.382 -2.186 7.803
202 2HD LYS 28 2HD LYS 28 -5.636 -0.623 7.405
203 1HE LYS 28 1HE LYS 28 -7.808 0.517 7.707
204 2HE LYS 28 2HE LYS 28 -8.583 -1.034 8.079
205 1HZ LYS 28 1HZ LYS 28 -6.426 0.205 9.641
206 2HZ LYS 28 2HZ LYS 28 -8.024 0.192 10.041
207 3HZ LYS 28 3HZ LYS 28 -7.178 -1.221 9.988
208 H LEU 29 H LEU 29 -3.560 -3.785 4.860
209 HA LEU 29 HA LEU 29 -2.563 -4.072 7.440
210 1HB LEU 29 1HB LEU 29 -2.843 -5.889 5.786
211 2HB LEU 29 2HB LEU 29 -1.529 -5.213 4.822
212 HG LEU 29 HG LEU 29 0.076 -5.665 6.673
213 1HD1 LEU 29 1HD1 LEU 29 -1.384 -5.646 8.631
214 2HD1 LEU 29 2HD1 LEU 29 -2.347 -6.991 7.974
215 3HD1 LEU 29 3HD1 LEU 29 -0.664 -7.253 8.476
216 1HD2 LEU 29 1HD2 LEU 29 -1.507 -8.101 5.775
217 2HD2 LEU 29 2HD2 LEU 29 -0.276 -7.251 4.816
218 3HD2 LEU 29 3HD2 LEU 29 0.183 -8.066 6.321
219 H SER 30 H SER 30 -0.957 -2.691 4.573
220 HA SER 30 HA SER 30 1.637 -2.401 5.872
221 1HB SER 30 1HB SER 30 2.257 -1.289 3.776
222 2HB SER 30 2HB SER 30 1.472 -2.852 3.472
223 HG SER 30 HG SER 30 -0.452 -1.703 3.040
224 H GLY 31 H GLY 31 -1.108 -0.307 5.069
225 1HA GLY 31 1HA GLY 31 -1.627 1.711 6.254
226 2HA GLY 31 2HA GLY 31 0.092 1.995 6.554
227 H CYS 32 H CYS 32 -0.082 0.782 3.397
228 HA CYS 32 HA CYS 32 0.326 3.408 2.237
229 1HB CYS 32 1HB CYS 32 -0.066 0.770 0.784
230 2HB CYS 32 2HB CYS 32 0.716 2.201 0.174
231 H LYS 33 H LYS 33 -0.930 4.316 0.523
232 HA LYS 33 HA LYS 33 -3.850 3.701 0.572
233 1HB LYS 33 1HB LYS 33 -2.431 6.139 -0.554
234 2HB LYS 33 2HB LYS 33 -4.167 5.905 -0.340
235 1HG LYS 33 1HG LYS 33 -2.052 6.260 1.813
236 2HG LYS 33 2HG LYS 33 -3.227 7.439 1.245
237 1HD LYS 33 1HD LYS 33 -4.188 6.807 3.200
238 2HD LYS 33 2HD LYS 33 -5.063 5.778 2.059
239 1HE LYS 33 1HE LYS 33 -4.081 3.840 2.896
240 2HE LYS 33 2HE LYS 33 -2.551 4.666 3.274
241 1HZ LYS 33 1HZ LYS 33 -3.548 5.635 5.153
242 2HZ LYS 33 2HZ LYS 33 -4.999 4.898 4.839
243 3HZ LYS 33 3HZ LYS 33 -3.670 3.994 5.213
244 H ILE 34 H ILE 34 -4.405 2.377 -1.061
245 HA ILE 34 HA ILE 34 -3.039 2.623 -3.714
246 HB ILE 34 HB ILE 34 -4.598 0.288 -2.571
247 1HG1 ILE 34 1HG1 ILE 34 -2.513 0.532 -1.320
248 2HG1 ILE 34 2HG1 ILE 34 -2.524 -0.885 -2.361
249 1HG2 ILE 34 1HG2 ILE 34 -2.999 0.647 -5.139
250 2HG2 ILE 34 2HG2 ILE 34 -3.613 -0.904 -4.535
251 3HG2 ILE 34 3HG2 ILE 34 -4.739 0.375 -4.997
252 1HD1 ILE 34 1HD1 ILE 34 -1.027 1.719 -2.798
253 2HD1 ILE 34 2HD1 ILE 34 -0.345 0.154 -2.361
254 3HD1 ILE 34 3HD1 ILE 34 -1.052 0.373 -3.968
255 H ILE 35 H ILE 35 -4.203 4.100 -4.796
256 HA ILE 35 HA ILE 35 -7.011 3.420 -5.381
257 HB ILE 35 HB ILE 35 -7.627 5.797 -5.426
258 1HG1 ILE 35 1HG1 ILE 35 -4.948 6.325 -4.047
259 2HG1 ILE 35 2HG1 ILE 35 -5.405 6.821 -5.686
260 1HG2 ILE 35 1HG2 ILE 35 -8.062 4.289 -3.453
261 2HG2 ILE 35 2HG2 ILE 35 -6.648 5.007 -2.653
262 3HG2 ILE 35 3HG2 ILE 35 -8.054 6.007 -3.069
263 1HD1 ILE 35 1HD1 ILE 35 -6.656 7.798 -3.095
264 2HD1 ILE 35 2HD1 ILE 35 -5.668 8.715 -4.234
265 3HD1 ILE 35 3HD1 ILE 35 -7.281 8.166 -4.723
266 H SER 36 H SER 36 -7.564 3.719 -7.501
267 HA SER 36 HA SER 36 -5.316 4.018 -9.392
268 1HB SER 36 1HB SER 36 -6.925 2.992 -10.968
269 2HB SER 36 2HB SER 36 -6.716 2.026 -9.499
270 HG SER 36 HG SER 36 -8.845 3.820 -10.049
271 H ALA 37 H ALA 37 -6.441 6.419 -8.006
272 HA ALA 37 HA ALA 37 -7.869 7.906 -10.108
273 1HB ALA 37 1HB ALA 37 -6.841 8.729 -7.365
274 2HB ALA 37 2HB ALA 37 -7.928 9.670 -8.408
275 3HB ALA 37 3HB ALA 37 -8.476 8.132 -7.725
276 H SER 38 H SER 38 -4.792 6.933 -10.064
277 HA SER 38 HA SER 38 -2.737 7.674 -10.469
278 1HB SER 38 1HB SER 38 -3.861 8.062 -12.638
279 2HB SER 38 2HB SER 38 -4.155 9.747 -12.168
280 HG SER 38 HG SER 38 -1.856 9.932 -11.928
281 H THR 39 H THR 39 -3.968 8.720 -8.069
282 HA THR 39 HA THR 39 -2.325 11.092 -7.498
283 HB THR 39 HB THR 39 -5.358 11.004 -7.092
284 HG1 THR 39 1HG THR 39 -4.951 11.320 -9.244
285 1HG2 THR 39 1HG2 THR 39 -5.024 13.490 -6.686
286 2HG2 THR 39 2HG2 THR 39 -4.415 12.445 -5.402
287 3HG2 THR 39 3HG2 THR 39 -3.283 13.175 -6.570
288 H CYS 40 H CYS 40 -2.419 11.502 -5.078
289 HA CYS 40 HA CYS 40 -3.478 9.346 -3.397
290 1HB CYS 40 1HB CYS 40 -0.567 10.241 -3.427
291 2HB CYS 40 2HB CYS 40 -1.292 9.312 -2.118
292 HA PRO 41 HA PRO 41 -3.930 13.082 -0.762
293 1HB PRO 41 1HB PRO 41 -4.015 11.949 1.726
294 2HB PRO 41 2HB PRO 41 -5.391 11.886 0.586
295 1HG PRO 41 1HG PRO 41 -3.294 9.772 1.076
296 2HG PRO 41 2HG PRO 41 -5.067 9.553 1.012
297 1HD PRO 41 1HD PRO 41 -3.464 9.025 -1.123
298 2HD PRO 41 2HD PRO 41 -5.081 9.751 -1.355
299 H SER 42 H SER 42 -2.291 14.382 0.002
300 HA SER 42 HA SER 42 0.401 13.411 -0.276
301 1HB SER 42 1HB SER 42 -0.418 15.620 -1.074
302 2HB SER 42 2HB SER 42 -0.546 16.160 0.612
303 HG SER 42 HG SER 42 1.457 16.705 -0.384
304 H ASP 43 H ASP 43 0.031 11.780 1.555
305 HA ASP 43 HA ASP 43 1.348 12.811 4.006
306 1HB ASP 43 1HB ASP 43 -1.195 11.121 4.004
307 2HB ASP 43 2HB ASP 43 -0.271 11.595 5.438
308 HD2 ASP 43 HD ASP 43 -1.459 14.906 5.431
309 H TYR 44 H TYR 44 1.933 11.025 1.529
310 HA TYR 44 HA TYR 44 2.956 8.631 2.963
311 1HB TYR 44 1HB TYR 44 1.076 8.601 0.582
312 2HB TYR 44 2HB TYR 44 1.979 7.213 1.174
313 HD1 TYR 44 1HD TYR 44 -0.939 9.351 1.744
314 HD2 TYR 44 2HD TYR 44 1.603 6.388 3.521
315 HE1 TYR 44 1HE TYR 44 -2.606 8.997 3.544
316 HE2 TYR 44 2HE TYR 44 -0.078 5.974 5.287
317 HH TYR 44 HH TYR 44 -3.098 7.882 5.504
318 HA PRO 45 HA PRO 45 5.704 10.574 -0.157
319 1HB PRO 45 1HB PRO 45 7.800 11.354 1.368
320 2HB PRO 45 2HB PRO 45 6.201 12.120 1.529
321 1HG PRO 45 1HG PRO 45 7.291 9.844 3.224
322 2HG PRO 45 2HG PRO 45 6.668 11.420 3.795
323 1HD PRO 45 1HD PRO 45 5.086 9.199 3.655
324 2HD PRO 45 2HD PRO 45 4.455 10.828 3.283
325 H LYS 46 H LYS 46 5.469 7.640 0.155
326 HA LYS 46 HA LYS 46 8.096 6.962 -0.929
327 1HB LYS 46 1HB LYS 46 7.445 6.261 1.748
328 2HB LYS 46 2HB LYS 46 7.009 4.844 0.833
329 1HG LYS 46 1HG LYS 46 9.282 4.534 1.489
330 2HG LYS 46 2HG LYS 46 9.245 4.830 -0.243
331 1HD LYS 46 1HD LYS 46 11.087 5.985 0.603
332 2HD LYS 46 2HD LYS 46 9.940 7.241 0.202
333 1HE LYS 46 1HE LYS 46 10.470 6.162 3.017
334 2HE LYS 46 2HE LYS 46 11.199 7.605 2.292
335 1HZ LYS 46 1HZ LYS 46 8.954 8.483 2.039
336 2HZ LYS 46 2HZ LYS 46 8.395 7.281 3.026
337 3HZ LYS 46 3HZ LYS 46 9.501 8.351 3.588
Start of MODEL 3
1 1H LYS 1 1H LYS 1 -3.297 3.294 -9.107
2 2H LYS 1 2H LYS 1 -3.362 2.199 -7.870
3 3H LYS 1 3H LYS 1 -3.763 3.773 -7.597
4 HA LYS 1 HA LYS 1 -1.131 2.767 -8.318
5 1HB LYS 1 1HB LYS 1 -1.604 4.962 -9.274
6 2HB LYS 1 2HB LYS 1 -2.017 5.609 -7.676
7 1HG LYS 1 1HG LYS 1 0.258 5.451 -6.923
8 2HG LYS 1 2HG LYS 1 0.690 4.334 -8.224
9 1HD LYS 1 1HD LYS 1 1.655 6.446 -8.775
10 2HD LYS 1 2HD LYS 1 0.329 6.139 -9.901
11 1HE LYS 1 1HE LYS 1 -1.136 7.639 -8.455
12 2HE LYS 1 2HE LYS 1 0.301 7.990 -7.474
13 1HZ LYS 1 1HZ LYS 1 -0.061 8.579 -10.329
14 2HZ LYS 1 2HZ LYS 1 -0.022 9.665 -9.101
15 3HZ LYS 1 3HZ LYS 1 1.340 8.826 -9.496
16 H SER 2 H SER 2 0.157 2.195 -6.647
17 HA SER 2 HA SER 2 -1.019 2.138 -3.954
18 1HB SER 2 1HB SER 2 1.511 0.858 -5.074
19 2HB SER 2 2HB SER 2 0.784 0.539 -3.486
20 HG SER 2 HG SER 2 -0.419 0.065 -6.020
21 H CYS 3 H CYS 3 -0.331 3.523 -2.360
22 HA CYS 3 HA CYS 3 2.281 4.962 -2.626
23 1HB CYS 3 1HB CYS 3 -0.468 6.168 -2.279
24 2HB CYS 3 2HB CYS 3 1.039 7.040 -1.962
25 H CYS 4 H CYS 4 3.376 5.019 -0.755
26 HA CYS 4 HA CYS 4 2.040 3.751 1.582
27 1HB CYS 4 1HB CYS 4 4.750 3.396 0.312
28 2HB CYS 4 2HB CYS 4 4.383 2.751 1.901
29 HA PRO 5 HA PRO 5 3.439 7.008 4.177
30 1HB PRO 5 1HB PRO 5 3.821 5.784 6.576
31 2HB PRO 5 2HB PRO 5 2.215 5.964 5.829
32 1HG PRO 5 1HG PRO 5 4.015 3.526 5.674
33 2HG PRO 5 2HG PRO 5 2.296 3.589 6.159
34 1HD PRO 5 1HD PRO 5 2.983 2.973 3.634
35 2HD PRO 5 2HD PRO 5 1.603 4.043 3.947
36 H ASN 6 H ASN 6 5.494 4.066 4.029
37 HA ASN 6 HA ASN 6 7.970 5.553 4.036
38 1HB ASN 6 1HB ASN 6 8.786 4.685 6.224
39 2HB ASN 6 2HB ASN 6 7.467 5.832 6.400
40 1HD2 ASN 6 2HD2 ASN 6 5.640 5.202 7.517
41 2HD2 ASN 6 1HD2 ASN 6 5.317 3.566 8.045
42 H THR 7 H THR 7 9.825 3.894 4.518
43 HA THR 7 HA THR 7 9.760 2.026 2.425
44 HB THR 7 HB THR 7 11.709 2.190 4.755
45 HG1 THR 7 1HG THR 7 12.777 3.661 3.398
46 1HG2 THR 7 1HG2 THR 7 12.029 1.229 1.872
47 2HG2 THR 7 2HG2 THR 7 13.344 1.394 3.054
48 3HG2 THR 7 3HG2 THR 7 12.066 0.201 3.321
49 H THR 8 H THR 8 9.251 1.580 5.967
50 HA THR 8 HA THR 8 9.295 -1.295 5.829
51 HB THR 8 HB THR 8 7.906 0.390 7.936
52 HG1 THR 8 1HG THR 8 10.623 -0.403 7.729
53 1HG2 THR 8 1HG2 THR 8 8.514 -1.530 9.378
54 2HG2 THR 8 2HG2 THR 8 7.487 -2.056 8.033
55 3HG2 THR 8 3HG2 THR 8 9.233 -2.365 7.986
56 H GLY 9 H GLY 9 6.770 1.221 5.555
57 1HA GLY 9 1HA GLY 9 4.462 -0.391 5.311
58 2HA GLY 9 2HA GLY 9 4.730 1.180 4.537
59 H ARG 10 H ARG 10 6.683 0.852 2.736
60 HA ARG 10 HA ARG 10 5.592 -0.570 0.575
61 1HB ARG 10 1HB ARG 10 8.404 0.394 1.204
62 2HB ARG 10 2HB ARG 10 8.074 -0.487 -0.286
63 1HG ARG 10 1HG ARG 10 6.544 2.007 0.507
64 2HG ARG 10 2HG ARG 10 8.051 2.034 -0.425
65 1HD ARG 10 1HD ARG 10 7.110 0.709 -2.210
66 2HD ARG 10 2HD ARG 10 5.608 0.458 -1.309
67 HE ARG 10 HE ARG 10 6.304 3.265 -1.817
68 1HH1 ARG 10 1HH2 ARG 10 4.599 0.423 -3.121
69 2HH1 ARG 10 2HH2 ARG 10 3.505 1.394 -4.074
70 1HH2 ARG 10 1HH1 ARG 10 4.854 4.477 -3.027
71 2HH2 ARG 10 2HH1 ARG 10 3.656 3.704 -4.045
72 H ASN 11 H ASN 11 8.181 -1.634 2.832
73 HA ASN 11 HA ASN 11 8.702 -4.107 1.606
74 1HB ASN 11 1HB ASN 11 10.179 -3.201 3.273
75 2HB ASN 11 2HB ASN 11 8.915 -3.210 4.504
76 1HD2 ASN 11 2HD2 ASN 11 8.559 -5.048 5.716
77 2HD2 ASN 11 1HD2 ASN 11 9.464 -6.530 5.499
78 H ILE 12 H ILE 12 6.359 -3.402 4.287
79 HA ILE 12 HA ILE 12 5.441 -6.080 4.534
80 HB ILE 12 HB ILE 12 4.128 -3.430 5.231
81 1HG1 ILE 12 1HG1 ILE 12 5.414 -5.498 7.064
82 2HG1 ILE 12 2HG1 ILE 12 6.346 -4.178 6.371
83 1HG2 ILE 12 1HG2 ILE 12 2.360 -5.136 5.028
84 2HG2 ILE 12 2HG2 ILE 12 3.323 -6.285 5.974
85 3HG2 ILE 12 3HG2 ILE 12 2.653 -4.832 6.732
86 1HD1 ILE 12 1HD1 ILE 12 3.946 -3.836 8.212
87 2HD1 ILE 12 2HD1 ILE 12 5.649 -3.549 8.586
88 3HD1 ILE 12 3HD1 ILE 12 4.822 -2.516 7.403
89 H TYR 13 H TYR 13 4.229 -3.320 2.582
90 HA TYR 13 HA TYR 13 1.930 -4.540 1.535
91 1HB TYR 13 1HB TYR 13 2.412 -2.152 1.370
92 2HB TYR 13 2HB TYR 13 3.792 -2.455 0.324
93 HD1 TYR 13 1HD TYR 13 3.461 -2.292 -2.024
94 HD2 TYR 13 2HD TYR 13 0.111 -3.175 0.540
95 HE1 TYR 13 1HE TYR 13 1.942 -2.208 -3.976
96 HE2 TYR 13 2HE TYR 13 -1.394 -3.171 -1.427
97 HH TYR 13 HH TYR 13 -0.281 -2.196 -4.661
98 H ASN 14 H ASN 14 5.238 -4.376 0.144
99 HA ASN 14 HA ASN 14 4.681 -5.939 -2.163
100 1HB ASN 14 1HB ASN 14 7.209 -5.079 -0.737
101 2HB ASN 14 2HB ASN 14 7.271 -6.216 -2.076
102 1HD2 ASN 14 2HD2 ASN 14 6.181 -2.906 -1.228
103 2HD2 ASN 14 1HD2 ASN 14 6.244 -2.312 -2.878
104 H THR 15 H THR 15 5.823 -6.881 1.113
105 HA THR 15 HA THR 15 6.353 -9.610 0.539
106 HB THR 15 HB THR 15 5.366 -8.281 3.106
107 HG1 THR 15 1HG THR 15 7.370 -7.537 2.363
108 1HG2 THR 15 1HG2 THR 15 6.593 -11.033 2.648
109 2HG2 THR 15 2HG2 THR 15 6.369 -10.261 4.231
110 3HG2 THR 15 3HG2 THR 15 4.957 -10.689 3.257
111 H CYS 16 H CYS 16 3.366 -7.989 1.677
112 HA CYS 16 HA CYS 16 1.744 -10.323 1.756
113 1HB CYS 16 1HB CYS 16 1.323 -8.319 3.012
114 2HB CYS 16 2HB CYS 16 1.088 -7.363 1.554
115 H ARG 17 H ARG 17 2.341 -7.924 -0.832
116 HA ARG 17 HA ARG 17 0.453 -8.966 -2.698
117 1HB ARG 17 1HB ARG 17 3.017 -7.377 -3.006
118 2HB ARG 17 2HB ARG 17 1.988 -7.764 -4.378
119 1HG ARG 17 1HG ARG 17 0.554 -6.552 -2.047
120 2HG ARG 17 2HG ARG 17 1.767 -5.516 -2.782
121 1HD ARG 17 1HD ARG 17 -0.592 -5.269 -3.691
122 2HD ARG 17 2HD ARG 17 0.715 -5.445 -4.862
123 HE ARG 17 HE ARG 17 -0.249 -7.321 -5.661
124 1HH1 ARG 17 1HH2 ARG 17 -1.466 -6.866 -2.356
125 2HH1 ARG 17 2HH2 ARG 17 -2.596 -8.195 -2.475
126 1HH2 ARG 17 1HH1 ARG 17 -1.864 -8.962 -5.825
127 2HH2 ARG 17 2HH1 ARG 17 -2.806 -9.378 -4.412
128 H PHE 18 H PHE 18 3.914 -9.748 -2.119
129 HA PHE 18 HA PHE 18 4.176 -11.620 -4.263
130 1HB PHE 18 1HB PHE 18 6.131 -10.696 -3.232
131 2HB PHE 18 2HB PHE 18 5.647 -11.256 -1.636
132 HD1 PHE 18 1HD PHE 18 6.064 -13.515 -0.890
133 HD2 PHE 18 2HD PHE 18 6.826 -12.410 -4.988
134 HE1 PHE 18 1HE PHE 18 7.172 -15.697 -1.274
135 HE2 PHE 18 2HE PHE 18 7.966 -14.582 -5.357
136 HZ PHE 18 HZ PHE 18 8.123 -16.235 -3.508
137 H ALA 19 H ALA 19 3.344 -12.038 -0.785
138 HA ALA 19 HA ALA 19 3.144 -14.869 -0.819
139 1HB ALA 19 1HB ALA 19 3.325 -13.504 1.235
140 2HB ALA 19 2HB ALA 19 1.693 -12.859 0.954
141 3HB ALA 19 3HB ALA 19 1.922 -14.590 1.282
142 H GLY 20 H GLY 20 0.804 -12.273 -1.502
143 1HA GLY 20 1HA GLY 20 -0.693 -12.497 -3.314
144 2HA GLY 20 2HA GLY 20 -0.902 -14.218 -2.983
145 H GLY 21 H GLY 21 -1.201 -11.112 -1.174
146 1HA GLY 21 1HA GLY 21 -3.913 -11.897 -0.192
147 2HA GLY 21 2HA GLY 21 -2.939 -10.537 0.369
148 H SER 22 H SER 22 -5.466 -9.850 -0.265
149 HA SER 22 HA SER 22 -5.735 -8.996 -3.029
150 1HB SER 22 1HB SER 22 -7.230 -7.893 -0.637
151 2HB SER 22 2HB SER 22 -7.755 -7.985 -2.325
152 HG SER 22 HG SER 22 -8.670 -9.628 -0.989
153 H ARG 23 H ARG 23 -5.475 -6.818 -3.791
154 HA ARG 23 HA ARG 23 -3.256 -5.328 -2.938
155 1HB ARG 23 1HB ARG 23 -5.744 -4.480 -4.460
156 2HB ARG 23 2HB ARG 23 -4.293 -3.483 -4.276
157 1HG ARG 23 1HG ARG 23 -2.909 -5.202 -5.354
158 2HG ARG 23 2HG ARG 23 -4.312 -6.271 -5.541
159 1HD ARG 23 1HD ARG 23 -4.078 -3.486 -6.736
160 2HD ARG 23 2HD ARG 23 -3.709 -4.966 -7.611
161 HE ARG 23 HE ARG 23 -6.353 -3.941 -6.763
162 1HH1 ARG 23 1HH2 ARG 23 -4.606 -6.694 -8.193
163 2HH1 ARG 23 2HH2 ARG 23 -6.032 -7.351 -8.954
164 1HH2 ARG 23 1HH1 ARG 23 -8.195 -4.816 -7.772
165 2HH2 ARG 23 2HH1 ARG 23 -8.080 -6.288 -8.703
166 H GLU 24 H GLU 24 -6.711 -4.585 -2.309
167 HA GLU 24 HA GLU 24 -6.235 -2.325 -0.673
168 1HB GLU 24 1HB GLU 24 -8.629 -4.188 -0.889
169 2HB GLU 24 2HB GLU 24 -8.616 -2.642 -0.027
170 1HG GLU 24 1HG GLU 24 -7.978 -1.463 -2.125
171 2HG GLU 24 2HG GLU 24 -8.030 -2.998 -3.006
172 HE2 GLU 24 HE GLU 24 -11.510 -1.303 -1.766
173 H ARG 25 H ARG 25 -6.667 -5.777 0.197
174 HA ARG 25 HA ARG 25 -6.764 -5.394 3.015
175 1HB ARG 25 1HB ARG 25 -7.492 -7.388 1.679
176 2HB ARG 25 2HB ARG 25 -5.791 -7.816 1.440
177 1HG ARG 25 1HG ARG 25 -5.493 -7.972 3.901
178 2HG ARG 25 2HG ARG 25 -7.200 -7.556 4.142
179 1HD ARG 25 1HD ARG 25 -6.206 -9.978 2.568
180 2HD ARG 25 2HD ARG 25 -6.690 -9.994 4.274
181 HE ARG 25 HE ARG 25 -8.787 -8.867 2.695
182 1HH1 ARG 25 1HH2 ARG 25 -7.270 -11.989 3.435
183 2HH1 ARG 25 2HH2 ARG 25 -8.729 -12.906 3.163
184 1HH2 ARG 25 1HH1 ARG 25 -10.699 -10.088 2.329
185 2HH2 ARG 25 2HH1 ARG 25 -10.681 -11.822 2.527
186 H CYS 26 H CYS 26 -4.072 -6.202 0.787
187 HA CYS 26 HA CYS 26 -1.983 -6.221 2.729
188 1HB CYS 26 1HB CYS 26 -1.967 -5.657 -0.264
189 2HB CYS 26 2HB CYS 26 -0.522 -5.827 0.724
190 H ALA 27 H ALA 27 -3.410 -3.592 0.776
191 HA ALA 27 HA ALA 27 -1.535 -1.575 1.458
192 1HB ALA 27 1HB ALA 27 -4.474 -1.296 0.733
193 2HB ALA 27 2HB ALA 27 -3.219 -0.047 0.632
194 3HB ALA 27 3HB ALA 27 -3.114 -1.482 -0.397
195 H LYS 28 H LYS 28 -4.685 -2.510 2.931
196 HA LYS 28 HA LYS 28 -4.682 -0.649 5.073
197 1HB LYS 28 1HB LYS 28 -5.905 -3.392 4.640
198 2HB LYS 28 2HB LYS 28 -6.116 -2.509 6.153
199 1HG LYS 28 1HG LYS 28 -7.147 -0.632 5.012
200 2HG LYS 28 2HG LYS 28 -6.737 -1.301 3.425
201 1HD LYS 28 1HD LYS 28 -8.231 -3.251 3.863
202 2HD LYS 28 2HD LYS 28 -8.620 -2.574 5.454
203 1HE LYS 28 1HE LYS 28 -10.418 -2.004 3.926
204 2HE LYS 28 2HE LYS 28 -9.532 -0.523 4.328
205 1HZ LYS 28 1HZ LYS 28 -9.221 -2.120 1.883
206 2HZ LYS 28 2HZ LYS 28 -9.993 -0.669 1.998
207 3HZ LYS 28 3HZ LYS 28 -8.366 -0.757 2.236
208 H LEU 29 H LEU 29 -3.505 -4.050 4.962
209 HA LEU 29 HA LEU 29 -2.579 -4.301 7.572
210 1HB LEU 29 1HB LEU 29 -2.650 -6.175 5.963
211 2HB LEU 29 2HB LEU 29 -1.387 -5.413 4.995
212 HG LEU 29 HG LEU 29 0.201 -5.626 6.957
213 1HD1 LEU 29 1HD1 LEU 29 -2.106 -7.252 8.107
214 2HD1 LEU 29 2HD1 LEU 29 -0.433 -7.310 8.703
215 3HD1 LEU 29 3HD1 LEU 29 -1.354 -5.806 8.820
216 1HD2 LEU 29 1HD2 LEU 29 0.286 -7.194 5.117
217 2HD2 LEU 29 2HD2 LEU 29 0.594 -8.018 6.653
218 3HD2 LEU 29 3HD2 LEU 29 -0.989 -8.191 5.861
219 H SER 30 H SER 30 -0.857 -3.047 4.716
220 HA SER 30 HA SER 30 1.645 -2.676 6.105
221 1HB SER 30 1HB SER 30 2.367 -1.700 3.994
222 2HB SER 30 2HB SER 30 1.502 -3.223 3.712
223 HG SER 30 HG SER 30 -0.336 -1.997 3.185
224 H GLY 31 H GLY 31 -1.091 -0.599 5.285
225 1HA GLY 31 1HA GLY 31 -1.447 1.450 6.607
226 2HA GLY 31 2HA GLY 31 0.278 1.805 6.439
227 H CYS 32 H CYS 32 0.012 0.569 3.545
228 HA CYS 32 HA CYS 32 0.017 3.108 2.285
229 1HB CYS 32 1HB CYS 32 -0.238 0.387 0.970
230 2HB CYS 32 2HB CYS 32 0.382 1.852 0.225
231 H LYS 33 H LYS 33 -1.235 3.668 0.319
232 HA LYS 33 HA LYS 33 -4.169 3.215 0.626
233 1HB LYS 33 1HB LYS 33 -2.745 5.441 -0.861
234 2HB LYS 33 2HB LYS 33 -4.457 5.349 -0.458
235 1HG LYS 33 1HG LYS 33 -2.155 5.806 1.489
236 2HG LYS 33 2HG LYS 33 -3.204 7.027 0.790
237 1HD LYS 33 1HD LYS 33 -4.045 6.769 2.906
238 2HD LYS 33 2HD LYS 33 -5.191 5.867 1.908
239 1HE LYS 33 1HE LYS 33 -4.427 3.783 2.741
240 2HE LYS 33 2HE LYS 33 -2.848 4.460 3.200
241 1HZ LYS 33 1HZ LYS 33 -5.355 5.081 4.561
242 2HZ LYS 33 2HZ LYS 33 -4.254 3.956 5.051
243 3HZ LYS 33 3HZ LYS 33 -3.826 5.544 5.000
244 H ILE 34 H ILE 34 -5.361 2.755 -1.201
245 HA ILE 34 HA ILE 34 -3.975 2.310 -3.808
246 HB ILE 34 HB ILE 34 -6.253 0.713 -2.547
247 1HG1 ILE 34 1HG1 ILE 34 -4.070 0.237 -1.520
248 2HG1 ILE 34 2HG1 ILE 34 -4.844 -1.133 -2.296
249 1HG2 ILE 34 1HG2 ILE 34 -4.871 0.390 -5.240
250 2HG2 ILE 34 2HG2 ILE 34 -5.953 -0.815 -4.506
251 3HG2 ILE 34 3HG2 ILE 34 -6.576 0.778 -4.945
252 1HD1 ILE 34 1HD1 ILE 34 -2.580 0.482 -3.538
253 2HD1 ILE 34 2HD1 ILE 34 -2.396 -1.048 -2.674
254 3HD1 ILE 34 3HD1 ILE 34 -3.298 -1.009 -4.193
255 H ILE 35 H ILE 35 -4.661 4.223 -4.849
256 HA ILE 35 HA ILE 35 -7.576 4.367 -5.303
257 HB ILE 35 HB ILE 35 -7.547 6.820 -5.313
258 1HG1 ILE 35 1HG1 ILE 35 -4.865 6.623 -3.872
259 2HG1 ILE 35 2HG1 ILE 35 -5.113 7.200 -5.530
260 1HG2 ILE 35 1HG2 ILE 35 -6.879 5.727 -2.560
261 2HG2 ILE 35 2HG2 ILE 35 -7.936 7.098 -2.969
262 3HG2 ILE 35 3HG2 ILE 35 -8.423 5.464 -3.408
263 1HD1 ILE 35 1HD1 ILE 35 -6.651 8.978 -4.643
264 2HD1 ILE 35 2HD1 ILE 35 -6.180 8.494 -2.992
265 3HD1 ILE 35 3HD1 ILE 35 -4.971 9.129 -4.108
266 H SER 36 H SER 36 -8.213 5.140 -7.267
267 HA SER 36 HA SER 36 -6.189 4.865 -9.418
268 1HB SER 36 1HB SER 36 -8.183 4.345 -10.790
269 2HB SER 36 2HB SER 36 -8.082 3.295 -9.368
270 HG SER 36 HG SER 36 -9.675 5.631 -9.626
271 H ALA 37 H ALA 37 -6.271 7.374 -7.972
272 HA ALA 37 HA ALA 37 -7.740 9.278 -9.676
273 1HB ALA 37 1HB ALA 37 -7.601 9.520 -7.197
274 2HB ALA 37 2HB ALA 37 -5.848 9.767 -7.350
275 3HB ALA 37 3HB ALA 37 -6.979 10.926 -8.081
276 H SER 38 H SER 38 -4.858 7.600 -10.044
277 HA SER 38 HA SER 38 -2.817 7.906 -10.859
278 1HB SER 38 1HB SER 38 -4.163 8.519 -12.884
279 2HB SER 38 2HB SER 38 -3.973 10.224 -12.436
280 HG SER 38 HG SER 38 -2.363 9.578 -13.894
281 H THR 39 H THR 39 -3.601 9.247 -8.375
282 HA THR 39 HA THR 39 -1.377 11.064 -7.950
283 HB THR 39 HB THR 39 -4.269 12.033 -7.658
284 HG1 THR 39 1HG THR 39 -2.339 12.445 -9.644
285 1HG2 THR 39 1HG2 THR 39 -3.178 14.256 -7.262
286 2HG2 THR 39 2HG2 THR 39 -2.841 13.093 -5.979
287 3HG2 THR 39 3HG2 THR 39 -1.600 13.446 -7.208
288 H CYS 40 H CYS 40 -1.226 11.512 -5.568
289 HA CYS 40 HA CYS 40 -2.855 9.743 -3.855
290 1HB CYS 40 1HB CYS 40 0.164 9.691 -4.156
291 2HB CYS 40 2HB CYS 40 -0.675 9.025 -2.756
292 HA PRO 41 HA PRO 41 -2.520 13.205 -1.078
293 1HB PRO 41 1HB PRO 41 -2.713 11.940 1.388
294 2HB PRO 41 2HB PRO 41 -4.085 12.255 0.288
295 1HG PRO 41 1HG PRO 41 -2.476 9.704 0.543
296 2HG PRO 41 2HG PRO 41 -4.253 9.880 0.503
297 1HD PRO 41 1HD PRO 41 -2.807 9.183 -1.663
298 2HD PRO 41 2HD PRO 41 -4.191 10.302 -1.835
299 H SER 42 H SER 42 -0.959 14.312 -0.001
300 HA SER 42 HA SER 42 1.707 13.716 -0.403
301 1HB SER 42 1HB SER 42 0.494 15.601 1.663
302 2HB SER 42 2HB SER 42 2.135 15.693 0.985
303 HG SER 42 HG SER 42 0.684 17.083 -0.094
304 H ASP 43 H ASP 43 -0.293 13.011 2.428
305 HA ASP 43 HA ASP 43 1.678 12.473 4.358
306 1HB ASP 43 1HB ASP 43 -1.081 11.246 3.980
307 2HB ASP 43 2HB ASP 43 -0.121 11.170 5.464
308 HD2 ASP 43 HD ASP 43 -1.038 14.337 6.518
309 H TYR 44 H TYR 44 1.056 10.690 1.465
310 HA TYR 44 HA TYR 44 2.527 8.309 2.517
311 1HB TYR 44 1HB TYR 44 0.401 8.455 0.367
312 2HB TYR 44 2HB TYR 44 1.357 7.046 0.807
313 HD1 TYR 44 1HD TYR 44 -1.113 9.511 2.195
314 HD2 TYR 44 2HD TYR 44 0.819 5.711 2.696
315 HE1 TYR 44 1HE TYR 44 -2.594 9.021 4.109
316 HE2 TYR 44 2HE TYR 44 -0.457 5.345 4.787
317 HH TYR 44 HH TYR 44 -3.018 7.596 5.874
318 HA PRO 45 HA PRO 45 4.914 10.799 -0.570
319 1HB PRO 45 1HB PRO 45 7.342 10.890 0.664
320 2HB PRO 45 2HB PRO 45 5.961 11.901 1.175
321 1HG PRO 45 1HG PRO 45 6.844 9.252 2.367
322 2HG PRO 45 2HG PRO 45 6.501 10.785 3.227
323 1HD PRO 45 1HD PRO 45 4.635 8.829 3.003
324 2HD PRO 45 2HD PRO 45 4.190 10.561 2.902
325 H LYS 46 H LYS 46 5.478 7.551 0.697
326 HA LYS 46 HA LYS 46 7.712 7.070 -1.143
327 1HB LYS 46 1HB LYS 46 7.654 6.520 1.391
328 2HB LYS 46 2HB LYS 46 6.508 5.255 0.974
329 1HG LYS 46 1HG LYS 46 8.673 4.246 1.113
330 2HG LYS 46 2HG LYS 46 8.192 4.255 -0.577
331 1HD LYS 46 1HD LYS 46 10.556 4.815 -0.289
332 2HD LYS 46 2HD LYS 46 9.679 6.104 -1.097
333 1HE LYS 46 1HE LYS 46 11.305 6.932 0.582
334 2HE LYS 46 2HE LYS 46 9.662 7.454 0.941
335 1HZ LYS 46 1HZ LYS 46 11.013 5.157 2.211
336 2HZ LYS 46 2HZ LYS 46 10.832 6.654 2.878
337 3HZ LYS 46 3HZ LYS 46 9.508 5.730 2.559
Start of MODEL 4
1 1H LYS 1 1H LYS 1 -2.361 6.661 -7.841
2 2H LYS 1 2H LYS 1 -2.839 5.415 -6.890
3 3H LYS 1 3H LYS 1 -1.688 6.476 -6.355
4 HA LYS 1 HA LYS 1 -1.467 4.612 -8.603
5 1HB LYS 1 1HB LYS 1 0.847 5.365 -8.860
6 2HB LYS 1 2HB LYS 1 -0.265 6.716 -9.053
7 1HG LYS 1 1HG LYS 1 0.210 7.546 -6.832
8 2HG LYS 1 2HG LYS 1 1.200 6.122 -6.455
9 1HD LYS 1 1HD LYS 1 2.783 6.767 -8.270
10 2HD LYS 1 2HD LYS 1 1.795 8.203 -8.588
11 1HE LYS 1 1HE LYS 1 3.687 8.846 -7.216
12 2HE LYS 1 2HE LYS 1 2.214 8.992 -6.249
13 1HZ LYS 1 1HZ LYS 1 2.779 6.859 -5.245
14 2HZ LYS 1 2HZ LYS 1 4.140 6.763 -6.157
15 3HZ LYS 1 3HZ LYS 1 3.979 7.942 -5.025
16 H SER 2 H SER 2 -2.111 4.113 -5.666
17 HA SER 2 HA SER 2 -1.541 2.805 -3.943
18 1HB SER 2 1HB SER 2 -0.605 1.126 -5.526
19 2HB SER 2 2HB SER 2 0.993 1.890 -5.372
20 HG SER 2 HG SER 2 0.785 1.523 -3.086
21 H CYS 3 H CYS 3 -0.749 3.600 -2.051
22 HA CYS 3 HA CYS 3 1.425 5.664 -2.157
23 1HB CYS 3 1HB CYS 3 -1.396 6.033 -1.091
24 2HB CYS 3 2HB CYS 3 -0.105 7.240 -1.133
25 H CYS 4 H CYS 4 2.862 4.863 -0.706
26 HA CYS 4 HA CYS 4 1.873 3.758 1.877
27 1HB CYS 4 1HB CYS 4 4.426 3.322 0.314
28 2HB CYS 4 2HB CYS 4 4.217 2.770 1.960
29 HA PRO 5 HA PRO 5 3.749 7.205 3.886
30 1HB PRO 5 1HB PRO 5 4.243 6.282 6.379
31 2HB PRO 5 2HB PRO 5 2.590 6.440 5.738
32 1HG PRO 5 1HG PRO 5 4.289 3.926 5.794
33 2HG PRO 5 2HG PRO 5 2.610 4.122 6.374
34 1HD PRO 5 1HD PRO 5 3.130 3.150 3.892
35 2HD PRO 5 2HD PRO 5 1.765 4.236 4.177
36 H ASN 6 H ASN 6 5.547 4.106 3.931
37 HA ASN 6 HA ASN 6 8.134 5.495 3.745
38 1HB ASN 6 1HB ASN 6 7.478 3.556 6.008
39 2HB ASN 6 2HB ASN 6 9.054 4.279 5.675
40 1HD2 ASN 6 2HD2 ASN 6 6.147 4.641 7.433
41 2HD2 ASN 6 1HD2 ASN 6 6.396 6.290 7.965
42 H THR 7 H THR 7 9.893 3.987 3.444
43 HA THR 7 HA THR 7 9.618 1.969 1.570
44 HB THR 7 HB THR 7 11.768 2.129 3.721
45 HG1 THR 7 1HG THR 7 12.740 3.624 2.294
46 1HG2 THR 7 1HG2 THR 7 13.242 1.365 1.886
47 2HG2 THR 7 2HG2 THR 7 11.946 0.191 2.168
48 3HG2 THR 7 3HG2 THR 7 11.855 1.299 0.780
49 H THR 8 H THR 8 9.526 1.733 5.171
50 HA THR 8 HA THR 8 9.495 -1.108 5.296
51 HB THR 8 HB THR 8 8.253 0.835 7.278
52 HG1 THR 8 1HG THR 8 10.338 0.844 8.181
53 1HG2 THR 8 1HG2 THR 8 9.503 -1.944 7.569
54 2HG2 THR 8 2HG2 THR 8 8.932 -0.931 8.910
55 3HG2 THR 8 3HG2 THR 8 7.776 -1.564 7.729
56 H GLY 9 H GLY 9 6.925 1.350 4.918
57 1HA GLY 9 1HA GLY 9 4.649 -0.368 5.133
58 2HA GLY 9 2HA GLY 9 4.742 1.181 4.278
59 H ARG 10 H ARG 10 6.606 0.785 2.333
60 HA ARG 10 HA ARG 10 5.299 -0.732 0.342
61 1HB ARG 10 1HB ARG 10 8.128 0.352 0.574
62 2HB ARG 10 2HB ARG 10 7.617 -0.568 -0.840
63 1HG ARG 10 1HG ARG 10 6.138 1.894 0.125
64 2HG ARG 10 2HG ARG 10 7.478 1.969 -1.024
65 1HD ARG 10 1HD ARG 10 6.333 0.594 -2.637
66 2HD ARG 10 2HD ARG 10 5.002 0.260 -1.518
67 HE ARG 10 HE ARG 10 5.256 3.084 -1.899
68 1HH1 ARG 10 1HH2 ARG 10 4.034 0.130 -3.456
69 2HH1 ARG 10 2HH2 ARG 10 2.829 0.979 -4.386
70 1HH2 ARG 10 1HH1 ARG 10 3.734 4.167 -3.129
71 2HH2 ARG 10 2HH1 ARG 10 2.691 3.332 -4.251
72 H ASN 11 H ASN 11 8.058 -1.641 2.454
73 HA ASN 11 HA ASN 11 8.579 -4.150 1.281
74 1HB ASN 11 1HB ASN 11 10.141 -3.197 2.803
75 2HB ASN 11 2HB ASN 11 8.949 -3.082 4.096
76 1HD2 ASN 11 2HD2 ASN 11 8.688 -4.767 5.505
77 2HD2 ASN 11 1HD2 ASN 11 9.531 -6.292 5.360
78 H ILE 12 H ILE 12 6.383 -3.398 4.084
79 HA ILE 12 HA ILE 12 5.524 -6.088 4.431
80 HB ILE 12 HB ILE 12 4.135 -3.468 5.097
81 1HG1 ILE 12 1HG1 ILE 12 5.624 -5.376 6.953
82 2HG1 ILE 12 2HG1 ILE 12 6.430 -4.024 6.170
83 1HG2 ILE 12 1HG2 ILE 12 3.529 -6.328 5.995
84 2HG2 ILE 12 2HG2 ILE 12 2.795 -4.882 6.707
85 3HG2 ILE 12 3HG2 ILE 12 2.465 -5.288 5.030
86 1HD1 ILE 12 1HD1 ILE 12 4.119 -3.794 8.126
87 2HD1 ILE 12 2HD1 ILE 12 5.803 -3.311 8.361
88 3HD1 ILE 12 3HD1 ILE 12 4.794 -2.440 7.190
89 H TYR 13 H TYR 13 4.100 -3.385 2.567
90 HA TYR 13 HA TYR 13 1.824 -4.639 1.569
91 1HB TYR 13 1HB TYR 13 2.180 -2.268 1.395
92 2HB TYR 13 2HB TYR 13 3.641 -2.489 0.445
93 HD1 TYR 13 1HD TYR 13 3.466 -1.999 -1.829
94 HD2 TYR 13 2HD TYR 13 0.006 -3.471 0.274
95 HE1 TYR 13 1HE TYR 13 2.115 -1.768 -3.889
96 HE2 TYR 13 2HE TYR 13 -1.337 -3.270 -1.799
97 HH TYR 13 HH TYR 13 0.044 -2.014 -4.851
98 H ASN 14 H ASN 14 5.079 -4.467 0.040
99 HA ASN 14 HA ASN 14 4.425 -5.989 -2.270
100 1HB ASN 14 1HB ASN 14 7.011 -5.144 -0.939
101 2HB ASN 14 2HB ASN 14 7.028 -6.314 -2.249
102 1HD2 ASN 14 2HD2 ASN 14 6.204 -2.936 -1.487
103 2HD2 ASN 14 1HD2 ASN 14 6.183 -2.414 -3.160
104 H THR 15 H THR 15 5.810 -6.990 0.916
105 HA THR 15 HA THR 15 6.283 -9.694 0.166
106 HB THR 15 HB THR 15 5.657 -8.501 2.901
107 HG1 THR 15 1HG THR 15 8.091 -9.043 1.546
108 1HG2 THR 15 1HG2 THR 15 6.906 -10.480 3.758
109 2HG2 THR 15 2HG2 THR 15 5.403 -10.956 2.955
110 3HG2 THR 15 3HG2 THR 15 6.958 -11.151 2.115
111 H CYS 16 H CYS 16 3.431 -8.107 1.652
112 HA CYS 16 HA CYS 16 1.823 -10.444 1.895
113 1HB CYS 16 1HB CYS 16 1.389 -8.485 3.164
114 2HB CYS 16 2HB CYS 16 1.213 -7.481 1.730
115 H ARG 17 H ARG 17 2.038 -7.974 -0.704
116 HA ARG 17 HA ARG 17 0.078 -9.006 -2.448
117 1HB ARG 17 1HB ARG 17 2.681 -7.510 -2.904
118 2HB ARG 17 2HB ARG 17 1.587 -7.887 -4.227
119 1HG ARG 17 1HG ARG 17 0.363 -6.511 -1.843
120 2HG ARG 17 2HG ARG 17 1.502 -5.577 -2.822
121 1HD ARG 17 1HD ARG 17 -0.769 -5.254 -3.622
122 2HD ARG 17 2HD ARG 17 0.262 -6.007 -4.835
123 HE ARG 17 HE ARG 17 -1.533 -7.649 -3.073
124 1HH1 ARG 17 1HH2 ARG 17 -0.681 -6.665 -6.406
125 2HH1 ARG 17 2HH2 ARG 17 -1.709 -7.875 -7.121
126 1HH2 ARG 17 1HH1 ARG 17 -2.808 -9.221 -4.063
127 2HH2 ARG 17 2HH1 ARG 17 -2.931 -9.314 -5.804
128 H PHE 18 H PHE 18 3.573 -9.753 -2.196
129 HA PHE 18 HA PHE 18 3.678 -11.624 -4.332
130 1HB PHE 18 1HB PHE 18 5.650 -10.529 -3.456
131 2HB PHE 18 2HB PHE 18 5.404 -11.235 -1.864
132 HD1 PHE 18 1HD PHE 18 6.440 -13.294 -1.311
133 HD2 PHE 18 2HD PHE 18 5.976 -12.197 -5.458
134 HE1 PHE 18 1HE PHE 18 7.766 -15.275 -1.987
135 HE2 PHE 18 2HE PHE 18 7.295 -14.188 -6.127
136 HZ PHE 18 HZ PHE 18 8.187 -15.733 -4.394
137 H ALA 19 H ALA 19 3.093 -12.041 -0.806
138 HA ALA 19 HA ALA 19 2.977 -14.858 -0.751
139 1HB ALA 19 1HB ALA 19 3.049 -13.422 1.262
140 2HB ALA 19 2HB ALA 19 1.386 -12.886 0.940
141 3HB ALA 19 3HB ALA 19 1.711 -14.586 1.313
142 H GLY 20 H GLY 20 0.421 -12.433 -1.417
143 1HA GLY 20 1HA GLY 20 -0.845 -13.219 -3.479
144 2HA GLY 20 2HA GLY 20 -1.377 -14.580 -2.485
145 H GLY 21 H GLY 21 -1.097 -11.678 -0.608
146 1HA GLY 21 1HA GLY 21 -3.957 -11.583 -0.211
147 2HA GLY 21 2HA GLY 21 -2.741 -10.509 0.483
148 H SER 22 H SER 22 -5.383 -9.889 -0.807
149 HA SER 22 HA SER 22 -5.034 -8.780 -3.399
150 1HB SER 22 1HB SER 22 -7.015 -7.995 -1.223
151 2HB SER 22 2HB SER 22 -7.156 -7.640 -2.953
152 HG SER 22 HG SER 22 -7.067 -10.232 -1.795
153 H ARG 23 H ARG 23 -5.055 -6.492 -3.998
154 HA ARG 23 HA ARG 23 -2.926 -5.019 -2.922
155 1HB ARG 23 1HB ARG 23 -5.327 -4.082 -4.550
156 2HB ARG 23 2HB ARG 23 -3.898 -3.098 -4.197
157 1HG ARG 23 1HG ARG 23 -2.454 -4.749 -5.359
158 2HG ARG 23 2HG ARG 23 -3.879 -5.748 -5.710
159 1HD ARG 23 1HD ARG 23 -3.382 -4.447 -7.686
160 2HD ARG 23 2HD ARG 23 -4.879 -3.855 -6.977
161 HE ARG 23 HE ARG 23 -3.899 -1.847 -6.412
162 1HH1 ARG 23 1HH2 ARG 23 -1.365 -4.043 -7.611
163 2HH1 ARG 23 2HH2 ARG 23 -0.171 -2.777 -7.740
164 1HH2 ARG 23 1HH1 ARG 23 -2.314 -0.227 -6.568
165 2HH2 ARG 23 2HH1 ARG 23 -0.714 -0.605 -7.158
166 H GLU 24 H GLU 24 -6.436 -4.421 -2.482
167 HA GLU 24 HA GLU 24 -6.226 -2.275 -0.673
168 1HB GLU 24 1HB GLU 24 -8.383 -4.409 -0.978
169 2HB GLU 24 2HB GLU 24 -8.553 -2.921 -0.027
170 1HG GLU 24 1HG GLU 24 -8.112 -1.565 -2.064
171 2HG GLU 24 2HG GLU 24 -8.011 -3.045 -3.032
172 HE2 GLU 24 HE GLU 24 -11.532 -1.439 -2.480
173 H ARG 25 H ARG 25 -6.494 -5.800 0.012
174 HA ARG 25 HA ARG 25 -6.669 -5.590 2.802
175 1HB ARG 25 1HB ARG 25 -7.180 -7.543 1.309
176 2HB ARG 25 2HB ARG 25 -5.451 -7.877 1.183
177 1HG ARG 25 1HG ARG 25 -5.293 -8.224 3.603
178 2HG ARG 25 2HG ARG 25 -6.979 -7.734 3.823
179 1HD ARG 25 1HD ARG 25 -6.031 -10.146 2.212
180 2HD ARG 25 2HD ARG 25 -6.670 -10.218 3.852
181 HE ARG 25 HE ARG 25 -8.147 -9.941 1.363
182 1HH1 ARG 25 1HH2 ARG 25 -8.324 -9.313 4.858
183 2HH1 ARG 25 2HH2 ARG 25 -10.068 -9.251 4.879
184 1HH2 ARG 25 1HH1 ARG 25 -10.429 -9.837 1.411
185 2HH2 ARG 25 2HH1 ARG 25 -11.266 -9.546 2.915
186 H CYS 26 H CYS 26 -3.821 -6.223 0.734
187 HA CYS 26 HA CYS 26 -1.867 -6.273 2.799
188 1HB CYS 26 1HB CYS 26 -1.685 -5.628 -0.174
189 2HB CYS 26 2HB CYS 26 -0.291 -5.868 0.881
190 H ALA 27 H ALA 27 -3.173 -3.587 0.831
191 HA ALA 27 HA ALA 27 -1.362 -1.601 1.740
192 1HB ALA 27 1HB ALA 27 -2.768 -1.347 -0.212
193 2HB ALA 27 2HB ALA 27 -4.237 -1.323 0.794
194 3HB ALA 27 3HB ALA 27 -3.040 -0.021 0.921
195 H LYS 28 H LYS 28 -4.568 -2.689 3.005
196 HA LYS 28 HA LYS 28 -4.730 -0.878 5.146
197 1HB LYS 28 1HB LYS 28 -6.297 -2.879 4.072
198 2HB LYS 28 2HB LYS 28 -5.826 -3.626 5.588
199 1HG LYS 28 1HG LYS 28 -7.101 -0.863 5.248
200 2HG LYS 28 2HG LYS 28 -7.951 -2.358 5.660
201 1HD LYS 28 1HD LYS 28 -6.558 -2.555 7.736
202 2HD LYS 28 2HD LYS 28 -5.797 -0.996 7.347
203 1HE LYS 28 1HE LYS 28 -7.982 0.132 7.447
204 2HE LYS 28 2HE LYS 28 -8.783 -1.413 7.798
205 1HZ LYS 28 1HZ LYS 28 -7.512 -1.549 9.809
206 2HZ LYS 28 2HZ LYS 28 -6.756 -0.120 9.486
207 3HZ LYS 28 3HZ LYS 28 -8.379 -0.149 9.771
208 H LEU 29 H LEU 29 -3.410 -4.196 4.998
209 HA LEU 29 HA LEU 29 -2.651 -4.563 7.656
210 1HB LEU 29 1HB LEU 29 -2.736 -6.292 5.862
211 2HB LEU 29 2HB LEU 29 -1.331 -5.551 5.097
212 HG LEU 29 HG LEU 29 0.026 -6.074 7.158
213 1HD1 LEU 29 1HD1 LEU 29 -1.778 -6.322 8.829
214 2HD1 LEU 29 2HD1 LEU 29 -2.468 -7.674 7.901
215 3HD1 LEU 29 3HD1 LEU 29 -0.877 -7.836 8.672
216 1HD2 LEU 29 1HD2 LEU 29 0.129 -7.468 5.162
217 2HD2 LEU 29 2HD2 LEU 29 0.207 -8.486 6.612
218 3HD2 LEU 29 3HD2 LEU 29 -1.305 -8.379 5.683
219 H SER 30 H SER 30 -0.812 -3.142 4.941
220 HA SER 30 HA SER 30 1.622 -2.756 6.473
221 1HB SER 30 1HB SER 30 2.361 -1.539 4.442
222 2HB SER 30 2HB SER 30 1.721 -3.156 4.080
223 HG SER 30 HG SER 30 -0.202 -2.210 3.434
224 H GLY 31 H GLY 31 -1.127 -0.734 5.542
225 1HA GLY 31 1HA GLY 31 -1.738 1.180 6.943
226 2HA GLY 31 2HA GLY 31 -0.027 1.613 7.050
227 H CYS 32 H CYS 32 -0.250 0.491 3.948
228 HA CYS 32 HA CYS 32 -0.189 3.135 2.804
229 1HB CYS 32 1HB CYS 32 -0.424 0.481 1.354
230 2HB CYS 32 2HB CYS 32 0.186 1.995 0.716
231 H LYS 33 H LYS 33 -1.573 3.694 0.879
232 HA LYS 33 HA LYS 33 -4.428 2.840 1.104
233 1HB LYS 33 1HB LYS 33 -3.355 5.373 -0.152
234 2HB LYS 33 2HB LYS 33 -5.026 5.007 0.246
235 1HG LYS 33 1HG LYS 33 -2.792 5.524 2.276
236 2HG LYS 33 2HG LYS 33 -3.894 6.731 1.627
237 1HD LYS 33 1HD LYS 33 -4.823 6.256 3.664
238 2HD LYS 33 2HD LYS 33 -5.839 5.347 2.539
239 1HE LYS 33 1HE LYS 33 -4.883 3.269 3.237
240 2HE LYS 33 2HE LYS 33 -3.482 4.073 3.988
241 1HZ LYS 33 1HZ LYS 33 -6.237 4.243 4.952
242 2HZ LYS 33 2HZ LYS 33 -5.047 3.284 5.575
243 3HZ LYS 33 3HZ LYS 33 -4.901 4.924 5.647
244 H ILE 34 H ILE 34 -5.534 2.520 -0.860
245 HA ILE 34 HA ILE 34 -3.930 2.367 -3.379
246 HB ILE 34 HB ILE 34 -6.289 0.674 -2.464
247 1HG1 ILE 34 1HG1 ILE 34 -4.196 0.055 -1.356
248 2HG1 ILE 34 2HG1 ILE 34 -4.829 -1.198 -2.409
249 1HG2 ILE 34 1HG2 ILE 34 -4.764 0.683 -5.100
250 2HG2 ILE 34 2HG2 ILE 34 -5.854 -0.620 -4.570
251 3HG2 ILE 34 3HG2 ILE 34 -6.487 1.006 -4.842
252 1HD1 ILE 34 1HD1 ILE 34 -2.500 0.655 -3.094
253 2HD1 ILE 34 2HD1 ILE 34 -2.385 -1.033 -2.589
254 3HD1 ILE 34 3HD1 ILE 34 -3.137 -0.635 -4.138
255 H ILE 35 H ILE 35 -4.456 4.077 -4.581
256 HA ILE 35 HA ILE 35 -7.312 4.515 -5.146
257 HB ILE 35 HB ILE 35 -7.037 6.902 -5.343
258 1HG1 ILE 35 1HG1 ILE 35 -4.225 6.547 -4.208
259 2HG1 ILE 35 2HG1 ILE 35 -4.655 7.113 -5.833
260 1HG2 ILE 35 1HG2 ILE 35 -7.794 5.832 -3.186
261 2HG2 ILE 35 2HG2 ILE 35 -6.152 6.089 -2.550
262 3HG2 ILE 35 3HG2 ILE 35 -7.167 7.471 -3.020
263 1HD1 ILE 35 1HD1 ILE 35 -5.163 8.549 -3.208
264 2HD1 ILE 35 2HD1 ILE 35 -4.145 9.062 -4.555
265 3HD1 ILE 35 3HD1 ILE 35 -5.904 9.033 -4.756
266 H SER 36 H SER 36 -7.725 4.883 -7.293
267 HA SER 36 HA SER 36 -5.513 4.226 -9.165
268 1HB SER 36 1HB SER 36 -8.531 4.182 -9.539
269 2HB SER 36 2HB SER 36 -7.309 3.554 -10.666
270 HG SER 36 HG SER 36 -8.172 1.914 -9.337
271 H ALA 37 H ALA 37 -5.845 6.960 -8.006
272 HA ALA 37 HA ALA 37 -6.922 8.611 -10.177
273 1HB ALA 37 1HB ALA 37 -5.582 9.353 -7.548
274 2HB ALA 37 2HB ALA 37 -6.491 10.441 -8.623
275 3HB ALA 37 3HB ALA 37 -7.329 9.122 -7.787
276 H SER 38 H SER 38 -4.029 6.999 -9.892
277 HA SER 38 HA SER 38 -1.900 7.272 -10.460
278 1HB SER 38 1HB SER 38 -3.022 7.653 -12.657
279 2HB SER 38 2HB SER 38 -2.866 9.397 -12.382
280 HG SER 38 HG SER 38 -1.110 8.583 -13.575
281 H THR 39 H THR 39 -2.774 8.700 -8.160
282 HA THR 39 HA THR 39 -0.721 10.794 -7.889
283 HB THR 39 HB THR 39 -3.699 11.261 -7.368
284 HG1 THR 39 1HG THR 39 -1.987 11.994 -9.470
285 1HG2 THR 39 1HG2 THR 39 -3.002 13.665 -7.149
286 2HG2 THR 39 2HG2 THR 39 -2.434 12.658 -5.826
287 3HG2 THR 39 3HG2 THR 39 -1.308 13.140 -7.124
288 H CYS 40 H CYS 40 -0.699 11.491 -5.496
289 HA CYS 40 HA CYS 40 -1.897 9.593 -3.620
290 1HB CYS 40 1HB CYS 40 1.083 10.235 -3.783
291 2HB CYS 40 2HB CYS 40 0.310 9.593 -2.339
292 HA PRO 41 HA PRO 41 -2.520 13.483 -1.568
293 1HB PRO 41 1HB PRO 41 -3.166 12.729 0.958
294 2HB PRO 41 2HB PRO 41 -4.205 12.309 -0.436
295 1HG PRO 41 1HG PRO 41 -2.066 10.589 0.844
296 2HG PRO 41 2HG PRO 41 -3.773 10.137 0.535
297 1HD PRO 41 1HD PRO 41 -1.787 9.464 -1.191
298 2HD PRO 41 2HD PRO 41 -3.384 9.985 -1.801
299 H SER 42 H SER 42 -1.575 14.889 0.035
300 HA SER 42 HA SER 42 1.268 14.525 0.468
301 1HB SER 42 1HB SER 42 0.232 16.693 -0.125
302 2HB SER 42 2HB SER 42 -0.613 16.717 1.435
303 HG SER 42 HG SER 42 1.372 17.871 1.461
304 H ASP 43 H ASP 43 0.897 12.490 1.644
305 HA ASP 43 HA ASP 43 1.127 12.718 4.505
306 1HB ASP 43 1HB ASP 43 -1.375 12.947 4.268
307 2HB ASP 43 2HB ASP 43 -1.402 11.408 3.398
308 HD2 ASP 43 HD ASP 43 -0.604 12.942 6.404
309 H TYR 44 H TYR 44 0.358 10.676 1.677
310 HA TYR 44 HA TYR 44 2.184 8.509 2.648
311 1HB TYR 44 1HB TYR 44 -0.214 8.407 0.800
312 2HB TYR 44 2HB TYR 44 0.891 7.082 1.148
313 HD1 TYR 44 1HD TYR 44 1.155 6.264 3.482
314 HD2 TYR 44 2HD TYR 44 -2.049 8.887 2.376
315 HE1 TYR 44 1HE TYR 44 -0.169 5.416 5.391
316 HE2 TYR 44 2HE TYR 44 -3.377 8.080 4.299
317 HH TYR 44 HH TYR 44 -2.229 5.386 6.382
318 HA PRO 45 HA PRO 45 3.847 10.947 -0.907
319 1HB PRO 45 1HB PRO 45 6.485 11.152 -0.218
320 2HB PRO 45 2HB PRO 45 5.188 12.124 0.533
321 1HG PRO 45 1HG PRO 45 6.319 9.512 1.577
322 2HG PRO 45 2HG PRO 45 6.200 11.068 2.456
323 1HD PRO 45 1HD PRO 45 4.311 9.190 2.742
324 2HD PRO 45 2HD PRO 45 3.825 10.901 2.519
325 H LYS 46 H LYS 46 4.946 7.708 0.133
326 HA LYS 46 HA LYS 46 6.363 7.348 -2.480
327 1HB LYS 46 1HB LYS 46 6.518 5.823 0.140
328 2HB LYS 46 2HB LYS 46 7.023 5.142 -1.395
329 1HG LYS 46 1HG LYS 46 8.993 5.960 -0.544
330 2HG LYS 46 2HG LYS 46 8.528 7.087 -1.811
331 1HD LYS 46 1HD LYS 46 9.426 8.273 0.074
332 2HD LYS 46 2HD LYS 46 7.717 8.683 -0.070
333 1HE LYS 46 1HE LYS 46 7.143 7.178 1.767
334 2HE LYS 46 2HE LYS 46 8.776 6.481 1.769
335 1HZ LYS 46 1HZ LYS 46 8.135 9.251 2.492
336 2HZ LYS 46 2HZ LYS 46 8.391 8.019 3.550
337 3HZ LYS 46 3HZ LYS 46 9.617 8.532 2.568
Start of MODEL 5
1 1H LYS 1 1H LYS 1 -2.636 6.888 -7.870
2 2H LYS 1 2H LYS 1 -2.787 5.563 -6.923
3 3H LYS 1 3H LYS 1 -1.850 6.833 -6.429
4 HA LYS 1 HA LYS 1 -1.386 5.015 -8.669
5 1HB LYS 1 1HB LYS 1 0.645 6.291 -9.204
6 2HB LYS 1 2HB LYS 1 -0.822 7.248 -9.376
7 1HG LYS 1 1HG LYS 1 -0.406 8.343 -7.201
8 2HG LYS 1 2HG LYS 1 1.077 7.385 -6.989
9 1HD LYS 1 1HD LYS 1 2.038 8.396 -9.013
10 2HD LYS 1 2HD LYS 1 0.530 9.287 -9.310
11 1HE LYS 1 1HE LYS 1 0.825 10.486 -7.141
12 2HE LYS 1 2HE LYS 1 2.357 9.626 -6.890
13 1HZ LYS 1 1HZ LYS 1 1.752 11.430 -9.129
14 2HZ LYS 1 2HZ LYS 1 2.686 11.794 -7.822
15 3HZ LYS 1 3HZ LYS 1 3.179 10.641 -8.889
16 H SER 2 H SER 2 -1.649 4.477 -5.752
17 HA SER 2 HA SER 2 -0.784 3.309 -4.133
18 1HB SER 2 1HB SER 2 0.750 1.609 -4.417
19 2HB SER 2 2HB SER 2 -0.014 1.778 -6.004
20 HG SER 2 HG SER 2 1.899 3.103 -6.512
21 H CYS 3 H CYS 3 0.010 4.228 -2.313
22 HA CYS 3 HA CYS 3 2.718 5.375 -2.332
23 1HB CYS 3 1HB CYS 3 0.318 7.083 -1.619
24 2HB CYS 3 2HB CYS 3 1.995 7.419 -1.179
25 H CYS 4 H CYS 4 3.753 5.000 -0.519
26 HA CYS 4 HA CYS 4 2.305 3.807 1.788
27 1HB CYS 4 1HB CYS 4 5.049 3.391 0.575
28 2HB CYS 4 2HB CYS 4 4.633 2.755 2.155
29 HA PRO 5 HA PRO 5 3.880 7.004 4.430
30 1HB PRO 5 1HB PRO 5 4.492 5.681 6.750
31 2HB PRO 5 2HB PRO 5 2.829 5.984 6.193
32 1HG PRO 5 1HG PRO 5 4.446 3.453 5.794
33 2HG PRO 5 2HG PRO 5 2.782 3.606 6.426
34 1HD PRO 5 1HD PRO 5 3.202 3.012 3.841
35 2HD PRO 5 2HD PRO 5 1.932 4.165 4.276
36 H ASN 6 H ASN 6 5.852 4.040 4.036
37 HA ASN 6 HA ASN 6 8.348 5.486 3.767
38 1HB ASN 6 1HB ASN 6 9.380 4.464 5.816
39 2HB ASN 6 2HB ASN 6 8.184 5.711 6.148
40 1HD2 ASN 6 2HD2 ASN 6 6.648 5.223 7.653
41 2HD2 ASN 6 1HD2 ASN 6 6.167 3.605 8.118
42 H THR 7 H THR 7 10.192 3.819 3.859
43 HA THR 7 HA THR 7 9.898 1.947 1.838
44 HB THR 7 HB THR 7 11.973 1.929 4.068
45 HG1 THR 7 1HG THR 7 13.052 3.416 2.764
46 1HG2 THR 7 1HG2 THR 7 13.479 1.116 2.270
47 2HG2 THR 7 2HG2 THR 7 12.137 -0.010 2.529
48 3HG2 THR 7 3HG2 THR 7 12.115 1.088 1.132
49 H THR 8 H THR 8 9.666 1.465 5.404
50 HA THR 8 HA THR 8 9.564 -1.381 5.284
51 HB THR 8 HB THR 8 8.312 0.330 7.454
52 HG1 THR 8 1HG THR 8 10.402 0.328 8.344
53 1HG2 THR 8 1HG2 THR 8 9.681 -2.399 7.431
54 2HG2 THR 8 2HG2 THR 8 9.070 -1.564 8.872
55 3HG2 THR 8 3HG2 THR 8 7.939 -2.108 7.620
56 H GLY 9 H GLY 9 7.090 1.179 5.043
57 1HA GLY 9 1HA GLY 9 4.727 -0.370 4.988
58 2HA GLY 9 2HA GLY 9 5.006 1.148 4.119
59 H ARG 10 H ARG 10 6.896 0.627 2.259
60 HA ARG 10 HA ARG 10 5.555 -0.870 0.253
61 1HB ARG 10 1HB ARG 10 8.435 0.078 0.491
62 2HB ARG 10 2HB ARG 10 7.847 -0.791 -0.927
63 1HG ARG 10 1HG ARG 10 6.539 1.748 0.088
64 2HG ARG 10 2HG ARG 10 7.870 1.747 -1.073
65 1HD ARG 10 1HD ARG 10 6.604 0.463 -2.690
66 2HD ARG 10 2HD ARG 10 5.247 0.268 -1.573
67 HE ARG 10 HE ARG 10 5.768 3.044 -1.860
68 1HH1 ARG 10 1HH2 ARG 10 4.382 0.338 -3.732
69 2HH1 ARG 10 2HH2 ARG 10 3.394 1.405 -4.709
70 1HH2 ARG 10 1HH1 ARG 10 4.526 4.354 -3.139
71 2HH2 ARG 10 2HH1 ARG 10 3.466 3.710 -4.376
72 H ASN 11 H ASN 11 8.276 -1.821 2.399
73 HA ASN 11 HA ASN 11 8.721 -4.369 1.284
74 1HB ASN 11 1HB ASN 11 10.269 -3.390 2.848
75 2HB ASN 11 2HB ASN 11 9.049 -3.335 4.122
76 1HD2 ASN 11 2HD2 ASN 11 8.683 -5.139 5.400
77 2HD2 ASN 11 1HD2 ASN 11 9.583 -6.630 5.220
78 H ILE 12 H ILE 12 6.508 -3.481 4.023
79 HA ILE 12 HA ILE 12 5.516 -6.109 4.440
80 HB ILE 12 HB ILE 12 4.314 -3.376 5.009
81 1HG1 ILE 12 1HG1 ILE 12 5.525 -5.391 6.948
82 2HG1 ILE 12 2HG1 ILE 12 6.522 -4.182 6.150
83 1HG2 ILE 12 1HG2 ILE 12 3.401 -6.159 5.879
84 2HG2 ILE 12 2HG2 ILE 12 2.826 -4.661 6.625
85 3HG2 ILE 12 3HG2 ILE 12 2.466 -4.984 4.935
86 1HD1 ILE 12 1HD1 ILE 12 4.185 -3.567 8.001
87 2HD1 ILE 12 2HD1 ILE 12 5.911 -3.357 8.325
88 3HD1 ILE 12 3HD1 ILE 12 5.122 -2.361 7.087
89 H TYR 13 H TYR 13 4.322 -3.418 2.392
90 HA TYR 13 HA TYR 13 1.968 -4.598 1.453
91 1HB TYR 13 1HB TYR 13 2.615 -2.232 1.156
92 2HB TYR 13 2HB TYR 13 3.858 -2.697 0.003
93 HD1 TYR 13 1HD TYR 13 0.245 -2.363 0.601
94 HD2 TYR 13 2HD TYR 13 3.253 -3.454 -2.281
95 HE1 TYR 13 1HE TYR 13 -1.482 -2.449 -1.169
96 HE2 TYR 13 2HE TYR 13 1.519 -3.570 -4.048
97 HH TYR 13 HH TYR 13 -1.949 -3.028 -3.315
98 H ASN 14 H ASN 14 5.221 -4.618 -0.091
99 HA ASN 14 HA ASN 14 4.579 -6.313 -2.267
100 1HB ASN 14 1HB ASN 14 7.151 -5.561 -0.838
101 2HB ASN 14 2HB ASN 14 7.148 -6.797 -2.090
102 1HD2 ASN 14 2HD2 ASN 14 6.163 -3.373 -1.540
103 2HD2 ASN 14 1HD2 ASN 14 6.398 -2.901 -3.213
104 H THR 15 H THR 15 5.939 -7.159 0.989
105 HA THR 15 HA THR 15 6.162 -9.920 0.531
106 HB THR 15 HB THR 15 5.503 -8.462 3.121
107 HG1 THR 15 1HG THR 15 7.747 -8.509 3.344
108 1HG2 THR 15 1HG2 THR 15 6.688 -11.229 2.602
109 2HG2 THR 15 2HG2 THR 15 6.621 -10.427 4.185
110 3HG2 THR 15 3HG2 THR 15 5.120 -10.890 3.369
111 H CYS 16 H CYS 16 3.321 -7.994 1.547
112 HA CYS 16 HA CYS 16 1.558 -10.216 1.887
113 1HB CYS 16 1HB CYS 16 1.184 -8.125 2.942
114 2HB CYS 16 2HB CYS 16 1.058 -7.267 1.418
115 H ARG 17 H ARG 17 2.398 -8.228 -0.997
116 HA ARG 17 HA ARG 17 0.456 -9.417 -2.735
117 1HB ARG 17 1HB ARG 17 3.230 -8.378 -3.463
118 2HB ARG 17 2HB ARG 17 1.934 -8.758 -4.574
119 1HG ARG 17 1HG ARG 17 2.042 -6.479 -2.586
120 2HG ARG 17 2HG ARG 17 2.016 -6.398 -4.337
121 1HD ARG 17 1HD ARG 17 -0.237 -7.225 -2.488
122 2HD ARG 17 2HD ARG 17 -0.151 -5.771 -3.464
123 HE ARG 17 HE ARG 17 -0.135 -7.226 -5.500
124 1HH1 ARG 17 1HH2 ARG 17 -1.754 -8.398 -2.534
125 2HH1 ARG 17 2HH2 ARG 17 -2.854 -9.407 -3.428
126 1HH2 ARG 17 1HH1 ARG 17 -1.671 -8.491 -6.606
127 2HH2 ARG 17 2HH1 ARG 17 -2.828 -9.446 -5.717
128 H PHE 18 H PHE 18 3.866 -10.327 -2.035
129 HA PHE 18 HA PHE 18 3.905 -12.673 -3.643
130 1HB PHE 18 1HB PHE 18 5.512 -11.705 -1.274
131 2HB PHE 18 2HB PHE 18 5.698 -13.352 -1.846
132 HD1 PHE 18 1HD PHE 18 6.362 -9.817 -2.682
133 HD2 PHE 18 2HD PHE 18 6.663 -13.907 -4.010
134 HE1 PHE 18 1HE PHE 18 7.934 -9.121 -4.453
135 HE2 PHE 18 2HE PHE 18 8.303 -13.215 -5.735
136 HZ PHE 18 HZ PHE 18 8.935 -10.821 -5.967
137 H ALA 19 H ALA 19 2.839 -12.180 -0.252
138 HA ALA 19 HA ALA 19 2.445 -14.929 0.377
139 1HB ALA 19 1HB ALA 19 2.561 -13.133 2.064
140 2HB ALA 19 2HB ALA 19 1.019 -12.475 1.473
141 3HB ALA 19 3HB ALA 19 1.070 -14.084 2.214
142 H GLY 20 H GLY 20 0.306 -12.443 -1.053
143 1HA GLY 20 1HA GLY 20 -1.090 -13.005 -2.879
144 2HA GLY 20 2HA GLY 20 -1.392 -14.607 -2.210
145 H GLY 21 H GLY 21 -1.577 -11.291 -0.788
146 1HA GLY 21 1HA GLY 21 -4.370 -11.696 0.095
147 2HA GLY 21 2HA GLY 21 -3.362 -10.255 0.297
148 H SER 22 H SER 22 -5.427 -9.162 -0.482
149 HA SER 22 HA SER 22 -5.382 -8.880 -3.457
150 1HB SER 22 1HB SER 22 -7.330 -7.453 -3.166
151 2HB SER 22 2HB SER 22 -7.629 -9.056 -2.487
152 HG SER 22 HG SER 22 -8.316 -7.410 -1.080
153 H ARG 23 H ARG 23 -5.077 -6.681 -4.244
154 HA ARG 23 HA ARG 23 -2.909 -5.276 -3.122
155 1HB ARG 23 1HB ARG 23 -5.131 -4.308 -4.981
156 2HB ARG 23 2HB ARG 23 -3.695 -3.379 -4.557
157 1HG ARG 23 1HG ARG 23 -2.374 -5.534 -5.353
158 2HG ARG 23 2HG ARG 23 -3.896 -5.938 -6.164
159 1HD ARG 23 1HD ARG 23 -2.538 -4.779 -7.739
160 2HD ARG 23 2HD ARG 23 -3.792 -3.623 -7.240
161 HE ARG 23 HE ARG 23 -1.520 -3.350 -5.531
162 1HH1 ARG 23 1HH2 ARG 23 -2.473 -2.646 -8.881
163 2HH1 ARG 23 2HH2 ARG 23 -1.281 -1.387 -9.082
164 1HH2 ARG 23 1HH1 ARG 23 0.038 -1.734 -5.813
165 2HH2 ARG 23 2HH1 ARG 23 0.165 -0.869 -7.326
166 H GLU 24 H GLU 24 -6.419 -4.713 -2.740
167 HA GLU 24 HA GLU 24 -6.210 -2.339 -1.192
168 1HB GLU 24 1HB GLU 24 -8.409 -4.445 -1.339
169 2HB GLU 24 2HB GLU 24 -8.555 -2.876 -0.527
170 1HG GLU 24 1HG GLU 24 -8.064 -1.716 -2.675
171 2HG GLU 24 2HG GLU 24 -7.964 -3.284 -3.494
172 HE2 GLU 24 HE GLU 24 -11.587 -1.914 -2.246
173 H ARG 25 H ARG 25 -6.681 -5.787 -0.126
174 HA ARG 25 HA ARG 25 -6.736 -5.252 2.635
175 1HB ARG 25 1HB ARG 25 -7.393 -7.347 1.491
176 2HB ARG 25 2HB ARG 25 -5.694 -7.729 1.184
177 1HG ARG 25 1HG ARG 25 -5.219 -7.920 3.538
178 2HG ARG 25 2HG ARG 25 -6.791 -7.237 3.991
179 1HD ARG 25 1HD ARG 25 -6.433 -9.867 2.486
180 2HD ARG 25 2HD ARG 25 -6.634 -9.712 4.243
181 HE ARG 25 HE ARG 25 -8.745 -8.318 2.943
182 1HH1 ARG 25 1HH2 ARG 25 -7.685 -11.649 3.577
183 2HH1 ARG 25 2HH2 ARG 25 -9.307 -12.288 3.607
184 1HH2 ARG 25 1HH1 ARG 25 -10.862 -9.172 2.982
185 2HH2 ARG 25 2HH1 ARG 25 -11.121 -10.875 3.262
186 H CYS 26 H CYS 26 -3.997 -6.031 0.479
187 HA CYS 26 HA CYS 26 -1.957 -5.940 2.460
188 1HB CYS 26 1HB CYS 26 -1.841 -5.396 -0.528
189 2HB CYS 26 2HB CYS 26 -0.441 -5.589 0.523
190 H ALA 27 H ALA 27 -3.432 -3.330 0.494
191 HA ALA 27 HA ALA 27 -1.693 -1.233 1.262
192 1HB ALA 27 1HB ALA 27 -3.581 -1.237 -0.493
193 2HB ALA 27 2HB ALA 27 -4.680 -0.862 0.839
194 3HB ALA 27 3HB ALA 27 -3.353 0.233 0.454
195 H LYS 28 H LYS 28 -4.816 -2.263 2.746
196 HA LYS 28 HA LYS 28 -4.758 -0.545 4.978
197 1HB LYS 28 1HB LYS 28 -6.052 -3.205 4.347
198 2HB LYS 28 2HB LYS 28 -6.035 -2.641 6.010
199 1HG LYS 28 1HG LYS 28 -8.084 -1.918 5.060
200 2HG LYS 28 2HG LYS 28 -7.081 -0.479 5.289
201 1HD LYS 28 1HD LYS 28 -6.514 -0.481 2.872
202 2HD LYS 28 2HD LYS 28 -7.437 -1.995 2.675
203 1HE LYS 28 1HE LYS 28 -9.500 -0.795 3.413
204 2HE LYS 28 2HE LYS 28 -8.569 0.715 3.473
205 1HZ LYS 28 1HZ LYS 28 -8.973 -0.963 1.092
206 2HZ LYS 28 2HZ LYS 28 -9.758 0.449 1.417
207 3HZ LYS 28 3HZ LYS 28 -8.134 0.455 1.136
208 H LEU 29 H LEU 29 -3.584 -3.931 4.758
209 HA LEU 29 HA LEU 29 -2.679 -4.263 7.354
210 1HB LEU 29 1HB LEU 29 -2.901 -6.060 5.695
211 2HB LEU 29 2HB LEU 29 -1.594 -5.360 4.736
212 HG LEU 29 HG LEU 29 0.021 -5.830 6.582
213 1HD1 LEU 29 1HD1 LEU 29 -1.503 -5.844 8.524
214 2HD1 LEU 29 2HD1 LEU 29 -2.358 -7.256 7.861
215 3HD1 LEU 29 3HD1 LEU 29 -0.666 -7.392 8.383
216 1HD2 LEU 29 1HD2 LEU 29 -1.594 -8.183 5.529
217 2HD2 LEU 29 2HD2 LEU 29 -0.227 -7.374 4.734
218 3HD2 LEU 29 3HD2 LEU 29 0.037 -8.287 6.229
219 H SER 30 H SER 30 -0.901 -2.970 4.539
220 HA SER 30 HA SER 30 1.616 -2.676 5.951
221 1HB SER 30 1HB SER 30 2.345 -1.570 3.893
222 2HB SER 30 2HB SER 30 1.505 -3.092 3.529
223 HG SER 30 HG SER 30 -0.360 -1.867 3.074
224 H GLY 31 H GLY 31 -1.134 -0.582 5.209
225 1HA GLY 31 1HA GLY 31 -1.642 1.395 6.464
226 2HA GLY 31 2HA GLY 31 0.081 1.702 6.714
227 H CYS 32 H CYS 32 -0.015 0.585 3.577
228 HA CYS 32 HA CYS 32 0.259 3.240 2.465
229 1HB CYS 32 1HB CYS 32 0.007 0.607 0.969
230 2HB CYS 32 2HB CYS 32 0.733 2.090 0.392
231 H LYS 33 H LYS 33 -0.981 4.008 0.613
232 HA LYS 33 HA LYS 33 -3.870 3.248 0.626
233 1HB LYS 33 1HB LYS 33 -2.520 5.673 -0.598
234 2HB LYS 33 2HB LYS 33 -4.254 5.381 -0.452
235 1HG LYS 33 1HG LYS 33 -2.294 5.882 1.826
236 2HG LYS 33 2HG LYS 33 -3.400 7.045 1.102
237 1HD LYS 33 1HD LYS 33 -4.567 6.523 2.960
238 2HD LYS 33 2HD LYS 33 -5.308 5.402 1.817
239 1HE LYS 33 1HE LYS 33 -4.337 3.538 2.859
240 2HE LYS 33 2HE LYS 33 -2.937 4.456 3.449
241 1HZ LYS 33 1HZ LYS 33 -5.643 4.700 4.521
242 2HZ LYS 33 2HZ LYS 33 -4.413 3.823 5.186
243 3HZ LYS 33 3HZ LYS 33 -4.278 5.459 5.069
244 H ILE 34 H ILE 34 -4.667 2.262 -1.151
245 HA ILE 34 HA ILE 34 -3.215 2.448 -3.754
246 HB ILE 34 HB ILE 34 -4.930 0.229 -2.570
247 1HG1 ILE 34 1HG1 ILE 34 -2.472 0.303 -1.953
248 2HG1 ILE 34 2HG1 ILE 34 -3.064 -1.171 -2.720
249 1HG2 ILE 34 1HG2 ILE 34 -3.995 0.601 -5.442
250 2HG2 ILE 34 2HG2 ILE 34 -4.539 -0.953 -4.766
251 3HG2 ILE 34 3HG2 ILE 34 -5.655 0.410 -4.852
252 1HD1 ILE 34 1HD1 ILE 34 -1.591 1.029 -4.215
253 2HD1 ILE 34 2HD1 ILE 34 -0.825 -0.418 -3.548
254 3HD1 ILE 34 3HD1 ILE 34 -2.035 -0.576 -4.832
255 H ILE 35 H ILE 35 -4.198 4.049 -4.800
256 HA ILE 35 HA ILE 35 -7.106 3.860 -5.212
257 HB ILE 35 HB ILE 35 -7.368 6.276 -5.147
258 1HG1 ILE 35 1HG1 ILE 35 -4.524 6.415 -4.038
259 2HG1 ILE 35 2HG1 ILE 35 -5.058 6.999 -5.622
260 1HG2 ILE 35 1HG2 ILE 35 -6.229 5.328 -2.488
261 2HG2 ILE 35 2HG2 ILE 35 -7.522 6.514 -2.758
262 3HG2 ILE 35 3HG2 ILE 35 -7.804 4.816 -3.133
263 1HD1 ILE 35 1HD1 ILE 35 -6.643 8.566 -4.486
264 2HD1 ILE 35 2HD1 ILE 35 -5.923 8.094 -2.926
265 3HD1 ILE 35 3HD1 ILE 35 -4.933 8.886 -4.153
266 H SER 36 H SER 36 -7.727 4.337 -7.282
267 HA SER 36 HA SER 36 -5.558 4.343 -9.299
268 1HB SER 36 1HB SER 36 -8.538 3.807 -9.575
269 2HB SER 36 2HB SER 36 -7.289 3.526 -10.803
270 HG SER 36 HG SER 36 -6.330 2.033 -9.356
271 H ALA 37 H ALA 37 -6.192 6.838 -7.857
272 HA ALA 37 HA ALA 37 -7.660 8.519 -9.779
273 1HB ALA 37 1HB ALA 37 -7.991 8.756 -7.342
274 2HB ALA 37 2HB ALA 37 -6.272 9.165 -7.150
275 3HB ALA 37 3HB ALA 37 -7.351 10.242 -8.066
276 H SER 38 H SER 38 -4.690 7.235 -10.044
277 HA SER 38 HA SER 38 -2.623 7.792 -10.682
278 1HB SER 38 1HB SER 38 -3.913 8.380 -12.705
279 2HB SER 38 2HB SER 38 -4.021 10.057 -12.136
280 HG SER 38 HG SER 38 -1.712 10.072 -12.147
281 H THR 39 H THR 39 -3.554 8.894 -8.128
282 HA THR 39 HA THR 39 -1.719 11.152 -7.671
283 HB THR 39 HB THR 39 -4.744 11.237 -7.203
284 HG1 THR 39 1HG THR 39 -4.316 11.625 -9.330
285 1HG2 THR 39 1HG2 THR 39 -4.304 13.667 -6.677
286 2HG2 THR 39 2HG2 THR 39 -3.723 12.551 -5.446
287 3HG2 THR 39 3HG2 THR 39 -2.572 13.288 -6.596
288 H CYS 40 H CYS 40 -1.653 11.619 -5.302
289 HA CYS 40 HA CYS 40 -2.758 9.597 -3.484
290 1HB CYS 40 1HB CYS 40 0.166 10.443 -3.553
291 2HB CYS 40 2HB CYS 40 -0.592 9.505 -2.267
292 HA PRO 41 HA PRO 41 -3.293 13.533 -1.335
293 1HB PRO 41 1HB PRO 41 -3.887 12.748 1.195
294 2HB PRO 41 2HB PRO 41 -4.988 12.426 -0.175
295 1HG PRO 41 1HG PRO 41 -2.939 10.540 1.021
296 2HG PRO 41 2HG PRO 41 -4.666 10.209 0.701
297 1HD PRO 41 1HD PRO 41 -2.692 9.490 -1.049
298 2HD PRO 41 2HD PRO 41 -4.288 10.048 -1.632
299 H SER 42 H SER 42 -2.176 14.876 0.227
300 HA SER 42 HA SER 42 0.657 14.303 0.441
301 1HB SER 42 1HB SER 42 -0.270 16.537 -0.101
302 2HB SER 42 2HB SER 42 -0.939 16.647 1.539
303 HG SER 42 HG SER 42 1.139 17.621 1.327
304 H ASP 43 H ASP 43 0.210 12.312 1.674
305 HA ASP 43 HA ASP 43 0.542 12.724 4.584
306 1HB ASP 43 1HB ASP 43 -1.615 10.970 3.328
307 2HB ASP 43 2HB ASP 43 -1.108 10.867 5.019
308 HD2 ASP 43 HD ASP 43 -2.576 13.962 5.918
309 H TYR 44 H TYR 44 0.529 10.544 1.749
310 HA TYR 44 HA TYR 44 2.539 8.770 3.054
311 1HB TYR 44 1HB TYR 44 0.578 8.201 0.820
312 2HB TYR 44 2HB TYR 44 1.730 7.077 1.525
313 HD1 TYR 44 1HD TYR 44 1.504 6.403 3.937
314 HD2 TYR 44 2HD TYR 44 -1.485 8.801 2.004
315 HE1 TYR 44 1HE TYR 44 -0.109 5.768 5.695
316 HE2 TYR 44 2HE TYR 44 -3.089 8.251 3.806
317 HH TYR 44 HH TYR 44 -2.264 6.015 6.486
318 HA PRO 45 HA PRO 45 4.781 11.065 -0.167
319 1HB PRO 45 1HB PRO 45 7.293 11.005 0.844
320 2HB PRO 45 2HB PRO 45 5.983 11.963 1.594
321 1HG PRO 45 1HG PRO 45 6.924 9.198 2.396
322 2HG PRO 45 2HG PRO 45 6.696 10.618 3.452
323 1HD PRO 45 1HD PRO 45 4.790 8.693 3.152
324 2HD PRO 45 2HD PRO 45 4.346 10.414 3.363
325 H LYS 46 H LYS 46 5.341 7.672 0.712
326 HA LYS 46 HA LYS 46 7.257 7.340 -1.545
327 1HB LYS 46 1HB LYS 46 6.545 5.342 0.621
328 2HB LYS 46 2HB LYS 46 7.867 5.266 -0.544
329 1HG LYS 46 1HG LYS 46 7.532 7.042 1.879
330 2HG LYS 46 2HG LYS 46 8.788 5.848 1.551
331 1HD LYS 46 1HD LYS 46 8.493 8.533 0.129
332 2HD LYS 46 2HD LYS 46 9.632 8.139 1.413
333 1HE LYS 46 1HE LYS 46 10.700 6.428 -0.011
334 2HE LYS 46 2HE LYS 46 9.572 6.801 -1.328
335 1HZ LYS 46 1HZ LYS 46 11.472 8.693 -0.139
336 2HZ LYS 46 2HZ LYS 46 11.646 7.930 -1.590
337 3HZ LYS 46 3HZ LYS 46 10.427 9.017 -1.372
Start of MODEL 6
1 1H LYS 1 1H LYS 1 -2.901 3.822 -9.569
2 2H LYS 1 2H LYS 1 -2.991 2.677 -8.382
3 3H LYS 1 3H LYS 1 -3.527 4.207 -8.089
4 HA LYS 1 HA LYS 1 -0.784 3.433 -8.644
5 1HB LYS 1 1HB LYS 1 -1.470 5.709 -9.439
6 2HB LYS 1 2HB LYS 1 -1.828 6.152 -7.760
7 1HG LYS 1 1HG LYS 1 0.567 5.751 -7.161
8 2HG LYS 1 2HG LYS 1 0.872 5.172 -8.804
9 1HD LYS 1 1HD LYS 1 1.687 7.379 -8.775
10 2HD LYS 1 2HD LYS 1 0.158 7.459 -9.662
11 1HE LYS 1 1HE LYS 1 -0.956 8.281 -7.548
12 2HE LYS 1 2HE LYS 1 0.619 8.201 -6.736
13 1HZ LYS 1 1HZ LYS 1 1.440 9.802 -8.309
14 2HZ LYS 1 2HZ LYS 1 -0.046 9.912 -9.024
15 3HZ LYS 1 3HZ LYS 1 0.154 10.388 -7.464
16 H SER 2 H SER 2 0.409 2.815 -6.927
17 HA SER 2 HA SER 2 -0.902 2.560 -4.298
18 1HB SER 2 1HB SER 2 0.072 0.573 -5.379
19 2HB SER 2 2HB SER 2 1.658 1.360 -5.421
20 HG SER 2 HG SER 2 1.542 1.437 -3.107
21 H CYS 3 H CYS 3 -0.193 3.625 -2.512
22 HA CYS 3 HA CYS 3 2.190 5.426 -2.633
23 1HB CYS 3 1HB CYS 3 -0.714 6.163 -2.129
24 2HB CYS 3 2HB CYS 3 0.647 7.208 -1.709
25 H CYS 4 H CYS 4 3.365 5.033 -0.844
26 HA CYS 4 HA CYS 4 2.036 3.830 1.539
27 1HB CYS 4 1HB CYS 4 4.731 3.391 0.229
28 2HB CYS 4 2HB CYS 4 4.384 2.821 1.850
29 HA PRO 5 HA PRO 5 3.716 7.104 4.031
30 1HB PRO 5 1HB PRO 5 4.257 5.837 6.403
31 2HB PRO 5 2HB PRO 5 2.613 6.203 5.838
32 1HG PRO 5 1HG PRO 5 4.101 3.584 5.572
33 2HG PRO 5 2HG PRO 5 2.426 3.849 6.135
34 1HD PRO 5 1HD PRO 5 2.939 3.105 3.593
35 2HD PRO 5 2HD PRO 5 1.669 4.295 3.933
36 H ASN 6 H ASN 6 5.592 4.047 3.854
37 HA ASN 6 HA ASN 6 8.108 5.464 3.568
38 1HB ASN 6 1HB ASN 6 9.083 4.544 5.684
39 2HB ASN 6 2HB ASN 6 7.873 5.795 5.933
40 1HD2 ASN 6 2HD2 ASN 6 6.273 5.352 7.404
41 2HD2 ASN 6 1HD2 ASN 6 5.803 3.748 7.921
42 H THR 7 H THR 7 9.950 3.812 3.786
43 HA THR 7 HA THR 7 9.641 1.835 1.842
44 HB THR 7 HB THR 7 11.826 2.076 3.945
45 HG1 THR 7 1HG THR 7 12.746 3.496 2.447
46 1HG2 THR 7 1HG2 THR 7 11.830 0.972 1.095
47 2HG2 THR 7 2HG2 THR 7 13.272 1.216 2.100
48 3HG2 THR 7 3HG2 THR 7 12.053 0.029 2.586
49 H THR 8 H THR 8 9.305 1.594 5.399
50 HA THR 8 HA THR 8 9.360 -1.297 5.434
51 HB THR 8 HB THR 8 8.139 0.550 7.514
52 HG1 THR 8 1HG THR 8 10.320 1.058 7.103
53 1HG2 THR 8 1HG2 THR 8 9.215 -2.303 7.623
54 2HG2 THR 8 2HG2 THR 8 8.708 -1.338 9.024
55 3HG2 THR 8 3HG2 THR 8 7.516 -1.811 7.802
56 H GLY 9 H GLY 9 6.839 1.223 5.101
57 1HA GLY 9 1HA GLY 9 4.525 -0.412 5.083
58 2HA GLY 9 2HA GLY 9 4.734 1.123 4.222
59 H ARG 10 H ARG 10 6.675 0.663 2.387
60 HA ARG 10 HA ARG 10 5.478 -0.836 0.312
61 1HB ARG 10 1HB ARG 10 8.358 0.038 0.762
62 2HB ARG 10 2HB ARG 10 7.829 -0.761 -0.715
63 1HG ARG 10 1HG ARG 10 6.514 1.784 0.296
64 2HG ARG 10 2HG ARG 10 7.947 1.795 -0.739
65 1HD ARG 10 1HD ARG 10 6.801 0.578 -2.501
66 2HD ARG 10 2HD ARG 10 5.354 0.386 -1.498
67 HE ARG 10 HE ARG 10 6.119 3.162 -1.797
68 1HH1 ARG 10 1HH2 ARG 10 4.514 0.513 -3.532
69 2HH1 ARG 10 2HH2 ARG 10 3.509 1.587 -4.470
70 1HH2 ARG 10 1HH1 ARG 10 4.692 4.526 -2.895
71 2HH2 ARG 10 2HH1 ARG 10 3.610 3.896 -4.115
72 H ASN 11 H ASN 11 8.092 -1.801 2.596
73 HA ASN 11 HA ASN 11 8.553 -4.358 1.501
74 1HB ASN 11 1HB ASN 11 10.099 -3.450 3.067
75 2HB ASN 11 2HB ASN 11 8.866 -3.261 4.311
76 1HD2 ASN 11 2HD2 ASN 11 8.353 -4.959 5.667
77 2HD2 ASN 11 1HD2 ASN 11 9.163 -6.510 5.597
78 H ILE 12 H ILE 12 6.281 -3.460 4.191
79 HA ILE 12 HA ILE 12 5.306 -6.084 4.617
80 HB ILE 12 HB ILE 12 4.010 -3.375 5.082
81 1HG1 ILE 12 1HG1 ILE 12 5.278 -5.284 7.092
82 2HG1 ILE 12 2HG1 ILE 12 6.204 -4.017 6.303
83 1HG2 ILE 12 1HG2 ILE 12 2.246 -5.125 4.990
84 2HG2 ILE 12 2HG2 ILE 12 3.188 -6.144 6.094
85 3HG2 ILE 12 3HG2 ILE 12 2.486 -4.615 6.651
86 1HD1 ILE 12 1HD1 ILE 12 4.650 -2.292 7.184
87 2HD1 ILE 12 2HD1 ILE 12 3.797 -3.555 8.101
88 3HD1 ILE 12 3HD1 ILE 12 5.495 -3.208 8.446
89 H TYR 13 H TYR 13 4.062 -3.442 2.536
90 HA TYR 13 HA TYR 13 1.803 -4.703 1.500
91 1HB TYR 13 1HB TYR 13 2.230 -2.347 1.192
92 2HB TYR 13 2HB TYR 13 3.719 -2.667 0.316
93 HD1 TYR 13 1HD TYR 13 3.644 -2.392 -2.008
94 HD2 TYR 13 2HD TYR 13 0.072 -3.572 0.089
95 HE1 TYR 13 1HE TYR 13 2.385 -2.350 -4.135
96 HE2 TYR 13 2HE TYR 13 -1.192 -3.536 -2.045
97 HH TYR 13 HH TYR 13 0.352 -2.687 -5.165
98 H ASN 14 H ASN 14 5.101 -4.602 0.052
99 HA ASN 14 HA ASN 14 4.545 -6.291 -2.144
100 1HB ASN 14 1HB ASN 14 7.082 -5.421 -0.737
101 2HB ASN 14 2HB ASN 14 7.133 -6.649 -1.991
102 1HD2 ASN 14 2HD2 ASN 14 6.243 -3.238 -1.407
103 2HD2 ASN 14 1HD2 ASN 14 6.333 -2.779 -3.097
104 H THR 15 H THR 15 5.773 -7.132 1.146
105 HA THR 15 HA THR 15 6.255 -9.875 0.568
106 HB THR 15 HB THR 15 5.560 -8.508 3.204
107 HG1 THR 15 1HG THR 15 8.021 -9.169 1.955
108 1HG2 THR 15 1HG2 THR 15 6.782 -10.442 4.215
109 2HG2 THR 15 2HG2 THR 15 5.264 -10.931 3.449
110 3HG2 THR 15 3HG2 THR 15 6.811 -11.233 2.626
111 H CYS 16 H CYS 16 3.362 -8.183 1.843
112 HA CYS 16 HA CYS 16 1.746 -10.507 2.186
113 1HB CYS 16 1HB CYS 16 1.269 -8.491 3.334
114 2HB CYS 16 2HB CYS 16 1.155 -7.556 1.851
115 H ARG 17 H ARG 17 2.077 -8.206 -0.557
116 HA ARG 17 HA ARG 17 0.177 -9.378 -2.293
117 1HB ARG 17 1HB ARG 17 2.774 -7.879 -2.783
118 2HB ARG 17 2HB ARG 17 1.704 -8.344 -4.098
119 1HG ARG 17 1HG ARG 17 0.449 -6.828 -1.816
120 2HG ARG 17 2HG ARG 17 1.581 -5.951 -2.852
121 1HD ARG 17 1HD ARG 17 -0.719 -5.718 -3.648
122 2HD ARG 17 2HD ARG 17 0.339 -6.475 -4.832
123 HE ARG 17 HE ARG 17 -1.492 -8.030 -3.014
124 1HH1 ARG 17 1HH2 ARG 17 -0.338 -7.459 -6.358
125 2HH1 ARG 17 2HH2 ARG 17 -1.185 -8.848 -6.977
126 1HH2 ARG 17 1HH1 ARG 17 -2.575 -9.791 -3.884
127 2HH2 ARG 17 2HH1 ARG 17 -2.489 -10.151 -5.592
128 H PHE 18 H PHE 18 3.663 -10.086 -1.839
129 HA PHE 18 HA PHE 18 3.897 -12.086 -3.836
130 1HB PHE 18 1HB PHE 18 5.831 -11.010 -2.886
131 2HB PHE 18 2HB PHE 18 5.432 -11.570 -1.268
132 HD1 PHE 18 1HD PHE 18 6.104 -13.741 -0.487
133 HD2 PHE 18 2HD PHE 18 6.486 -12.728 -4.662
134 HE1 PHE 18 1HE PHE 18 7.424 -15.804 -0.869
135 HE2 PHE 18 2HE PHE 18 7.799 -14.801 -5.040
136 HZ PHE 18 HZ PHE 18 8.273 -16.338 -3.145
137 H ALA 19 H ALA 19 3.117 -12.325 -0.329
138 HA ALA 19 HA ALA 19 2.902 -15.140 -0.172
139 1HB ALA 19 1HB ALA 19 2.987 -13.663 1.791
140 2HB ALA 19 2HB ALA 19 1.386 -13.007 1.392
141 3HB ALA 19 3HB ALA 19 1.559 -14.715 1.839
142 H GLY 20 H GLY 20 0.525 -12.649 -1.115
143 1HA GLY 20 1HA GLY 20 -0.798 -13.245 -3.080
144 2HA GLY 20 2HA GLY 20 -1.218 -14.778 -2.316
145 H GLY 21 H GLY 21 -1.069 -11.666 -0.565
146 1HA GLY 21 1HA GLY 21 -3.931 -11.833 0.083
147 2HA GLY 21 2HA GLY 21 -2.745 -10.694 0.730
148 H SER 22 H SER 22 -5.441 -10.184 -0.499
149 HA SER 22 HA SER 22 -5.249 -9.206 -3.118
150 1HB SER 22 1HB SER 22 -7.044 -8.149 -0.905
151 2HB SER 22 2HB SER 22 -7.347 -8.099 -2.649
152 HG SER 22 HG SER 22 -8.439 -9.839 -1.677
153 H ARG 23 H ARG 23 -5.115 -7.041 -3.932
154 HA ARG 23 HA ARG 23 -2.922 -5.558 -3.059
155 1HB ARG 23 1HB ARG 23 -5.325 -4.737 -4.726
156 2HB ARG 23 2HB ARG 23 -3.871 -3.746 -4.531
157 1HG ARG 23 1HG ARG 23 -2.468 -5.484 -5.510
158 2HG ARG 23 2HG ARG 23 -3.850 -6.584 -5.669
159 1HD ARG 23 1HD ARG 23 -3.635 -3.847 -6.982
160 2HD ARG 23 2HD ARG 23 -3.259 -5.361 -7.799
161 HE ARG 23 HE ARG 23 -5.890 -4.264 -7.111
162 1HH1 ARG 23 1HH2 ARG 23 -4.159 -7.235 -8.002
163 2HH1 ARG 23 2HH2 ARG 23 -5.587 -8.034 -8.606
164 1HH2 ARG 23 1HH1 ARG 23 -7.750 -5.316 -7.941
165 2HH2 ARG 23 2HH1 ARG 23 -7.632 -6.942 -8.565
166 H GLU 24 H GLU 24 -6.379 -4.723 -2.656
167 HA GLU 24 HA GLU 24 -6.055 -2.411 -1.089
168 1HB GLU 24 1HB GLU 24 -8.311 -4.466 -1.160
169 2HB GLU 24 2HB GLU 24 -8.402 -2.887 -0.360
170 1HG GLU 24 1HG GLU 24 -7.962 -1.756 -2.531
171 2HG GLU 24 2HG GLU 24 -7.880 -3.328 -3.339
172 HE2 GLU 24 HE GLU 24 -9.972 -1.455 -1.259
173 H ARG 25 H ARG 25 -6.473 -5.836 -0.048
174 HA ARG 25 HA ARG 25 -6.632 -5.319 2.698
175 1HB ARG 25 1HB ARG 25 -7.246 -7.393 1.408
176 2HB ARG 25 2HB ARG 25 -5.540 -7.847 1.375
177 1HG ARG 25 1HG ARG 25 -5.471 -8.059 3.786
178 2HG ARG 25 2HG ARG 25 -7.014 -7.207 3.962
179 1HD ARG 25 1HD ARG 25 -7.432 -9.536 4.304
180 2HD ARG 25 2HD ARG 25 -8.196 -9.015 2.794
181 HE ARG 25 HE ARG 25 -5.506 -10.155 2.503
182 1HH1 ARG 25 1HH2 ARG 25 -8.982 -10.914 2.586
183 2HH1 ARG 25 2HH2 ARG 25 -8.789 -12.450 1.784
184 1HH2 ARG 25 1HH1 ARG 25 -5.275 -12.222 1.539
185 2HH2 ARG 25 2HH1 ARG 25 -6.680 -13.182 1.164
186 H CYS 26 H CYS 26 -3.806 -6.268 0.717
187 HA CYS 26 HA CYS 26 -1.858 -6.227 2.790
188 1HB CYS 26 1HB CYS 26 -1.621 -5.742 -0.211
189 2HB CYS 26 2HB CYS 26 -0.259 -5.979 0.881
190 H ALA 27 H ALA 27 -3.043 -3.661 0.588
191 HA ALA 27 HA ALA 27 -1.188 -1.664 1.371
192 1HB ALA 27 1HB ALA 27 -4.034 -1.346 0.361
193 2HB ALA 27 2HB ALA 27 -2.743 -0.127 0.329
194 3HB ALA 27 3HB ALA 27 -2.582 -1.600 -0.633
195 H LYS 28 H LYS 28 -4.460 -2.521 2.635
196 HA LYS 28 HA LYS 28 -4.624 -0.551 4.628
197 1HB LYS 28 1HB LYS 28 -6.206 -2.584 3.670
198 2HB LYS 28 2HB LYS 28 -5.788 -3.241 5.242
199 1HG LYS 28 1HG LYS 28 -6.978 -0.475 4.699
200 2HG LYS 28 2HG LYS 28 -7.896 -1.923 5.123
201 1HD LYS 28 1HD LYS 28 -6.725 -2.061 7.302
202 2HD LYS 28 2HD LYS 28 -5.788 -0.606 6.898
203 1HE LYS 28 1HE LYS 28 -7.835 0.734 6.750
204 2HE LYS 28 2HE LYS 28 -8.834 -0.702 7.050
205 1HZ LYS 28 1HZ LYS 28 -6.888 0.434 8.933
206 2HZ LYS 28 2HZ LYS 28 -8.525 0.611 9.009
207 3HZ LYS 28 3HZ LYS 28 -7.849 -0.879 9.204
208 H LEU 29 H LEU 29 -3.387 -3.913 4.803
209 HA LEU 29 HA LEU 29 -2.713 -4.035 7.502
210 1HB LEU 29 1HB LEU 29 -2.782 -5.940 5.895
211 2HB LEU 29 2HB LEU 29 -1.326 -5.320 5.116
212 HG LEU 29 HG LEU 29 -0.055 -5.668 7.256
213 1HD1 LEU 29 1HD1 LEU 29 -2.661 -7.000 8.132
214 2HD1 LEU 29 2HD1 LEU 29 -1.096 -7.204 8.945
215 3HD1 LEU 29 3HD1 LEU 29 -1.865 -5.613 8.911
216 1HD2 LEU 29 1HD2 LEU 29 0.006 -7.310 5.444
217 2HD2 LEU 29 2HD2 LEU 29 0.035 -8.130 7.015
218 3HD2 LEU 29 3HD2 LEU 29 -1.467 -8.089 6.066
219 H SER 30 H SER 30 -0.785 -2.882 4.736
220 HA SER 30 HA SER 30 1.614 -2.357 6.301
221 1HB SER 30 1HB SER 30 2.405 -1.333 4.196
222 2HB SER 30 2HB SER 30 1.798 -2.987 3.968
223 HG SER 30 HG SER 30 -0.105 -2.144 3.156
224 H GLY 31 H GLY 31 -1.158 -0.482 5.181
225 1HA GLY 31 1HA GLY 31 -1.906 1.524 6.191
226 2HA GLY 31 2HA GLY 31 -0.257 1.945 6.666
227 H CYS 32 H CYS 32 -0.511 0.615 3.463
228 HA CYS 32 HA CYS 32 -0.043 3.232 2.208
229 1HB CYS 32 1HB CYS 32 -0.231 0.478 0.944
230 2HB CYS 32 2HB CYS 32 0.425 1.930 0.215
231 H LYS 33 H LYS 33 -1.327 3.870 0.351
232 HA LYS 33 HA LYS 33 -4.168 2.952 0.369
233 1HB LYS 33 1HB LYS 33 -3.073 5.622 -0.589
234 2HB LYS 33 2HB LYS 33 -4.766 5.158 -0.400
235 1HG LYS 33 1HG LYS 33 -2.721 5.629 1.800
236 2HG LYS 33 2HG LYS 33 -4.055 6.676 1.344
237 1HD LYS 33 1HD LYS 33 -5.365 5.684 2.847
238 2HD LYS 33 2HD LYS 33 -5.332 4.229 1.869
239 1HE LYS 33 1HE LYS 33 -4.344 3.165 3.587
240 2HE LYS 33 2HE LYS 33 -2.899 4.140 3.341
241 1HZ LYS 33 1HZ LYS 33 -5.133 4.870 5.077
242 2HZ LYS 33 2HZ LYS 33 -3.673 4.273 5.555
243 3HZ LYS 33 3HZ LYS 33 -3.757 5.753 4.847
244 H ILE 34 H ILE 34 -4.964 2.168 -1.496
245 HA ILE 34 HA ILE 34 -3.412 2.413 -4.037
246 HB ILE 34 HB ILE 34 -5.622 0.443 -3.330
247 1HG1 ILE 34 1HG1 ILE 34 -3.832 -0.077 -1.864
248 2HG1 ILE 34 2HG1 ILE 34 -3.951 -1.295 -3.121
249 1HG2 ILE 34 1HG2 ILE 34 -3.666 0.588 -5.663
250 2HG2 ILE 34 2HG2 ILE 34 -4.771 -0.766 -5.333
251 3HG2 ILE 34 3HG2 ILE 34 -5.421 0.835 -5.714
252 1HD1 ILE 34 1HD1 ILE 34 -1.869 0.927 -2.968
253 2HD1 ILE 34 2HD1 ILE 34 -1.604 -0.790 -2.669
254 3HD1 ILE 34 3HD1 ILE 34 -2.003 -0.245 -4.303
255 H ILE 35 H ILE 35 -4.248 4.115 -5.196
256 HA ILE 35 HA ILE 35 -7.180 4.339 -5.444
257 HB ILE 35 HB ILE 35 -7.045 6.809 -5.185
258 1HG1 ILE 35 1HG1 ILE 35 -4.297 6.210 -3.980
259 2HG1 ILE 35 2HG1 ILE 35 -4.640 7.186 -5.417
260 1HG2 ILE 35 1HG2 ILE 35 -6.302 5.363 -2.616
261 2HG2 ILE 35 2HG2 ILE 35 -7.342 6.789 -2.808
262 3HG2 ILE 35 3HG2 ILE 35 -7.895 5.231 -3.404
263 1HD1 ILE 35 1HD1 ILE 35 -5.919 8.786 -3.975
264 2HD1 ILE 35 2HD1 ILE 35 -5.419 7.844 -2.540
265 3HD1 ILE 35 3HD1 ILE 35 -4.205 8.616 -3.535
266 H SER 36 H SER 36 -7.854 4.871 -7.395
267 HA SER 36 HA SER 36 -5.843 4.680 -9.512
268 1HB SER 36 1HB SER 36 -7.928 3.236 -9.296
269 2HB SER 36 2HB SER 36 -8.871 4.665 -9.763
270 HG SER 36 HG SER 36 -6.784 3.423 -11.247
271 H ALA 37 H ALA 37 -6.771 7.325 -7.919
272 HA ALA 37 HA ALA 37 -7.628 9.101 -10.043
273 1HB ALA 37 1HB ALA 37 -8.197 9.449 -7.669
274 2HB ALA 37 2HB ALA 37 -6.474 9.651 -7.281
275 3HB ALA 37 3HB ALA 37 -7.297 10.831 -8.325
276 H SER 38 H SER 38 -4.676 7.581 -9.532
277 HA SER 38 HA SER 38 -2.522 7.946 -9.921
278 1HB SER 38 1HB SER 38 -3.399 8.068 -12.224
279 2HB SER 38 2HB SER 38 -3.552 9.827 -12.075
280 HG SER 38 HG SER 38 -1.295 9.889 -11.710
281 H THR 39 H THR 39 -3.764 9.542 -7.865
282 HA THR 39 HA THR 39 -1.802 11.702 -7.496
283 HB THR 39 HB THR 39 -4.830 12.096 -7.310
284 HG1 THR 39 1HG THR 39 -4.283 12.068 -9.450
285 1HG2 THR 39 1HG2 THR 39 -4.211 14.499 -7.056
286 2HG2 THR 39 2HG2 THR 39 -3.615 13.509 -5.715
287 3HG2 THR 39 3HG2 THR 39 -2.499 14.039 -6.996
288 H CYS 40 H CYS 40 -1.484 12.038 -5.212
289 HA CYS 40 HA CYS 40 -3.066 10.432 -3.324
290 1HB CYS 40 1HB CYS 40 -0.072 10.163 -3.789
291 2HB CYS 40 2HB CYS 40 -0.880 9.589 -2.329
292 HA PRO 41 HA PRO 41 -2.506 14.153 -1.071
293 1HB PRO 41 1HB PRO 41 -3.235 13.450 1.458
294 2HB PRO 41 2HB PRO 41 -4.382 13.403 0.091
295 1HG PRO 41 1HG PRO 41 -2.748 11.086 1.183
296 2HG PRO 41 2HG PRO 41 -4.521 11.146 0.937
297 1HD PRO 41 1HD PRO 41 -2.891 10.063 -0.944
298 2HD PRO 41 2HD PRO 41 -4.276 11.080 -1.425
299 H SER 42 H SER 42 -1.371 15.138 0.784
300 HA SER 42 HA SER 42 1.390 14.332 0.972
301 1HB SER 42 1HB SER 42 -0.203 16.531 2.347
302 2HB SER 42 2HB SER 42 1.568 16.374 2.362
303 HG SER 42 HG SER 42 0.816 17.779 0.712
304 H ASP 43 H ASP 43 0.540 12.178 1.830
305 HA ASP 43 HA ASP 43 1.008 12.029 4.756
306 1HB ASP 43 1HB ASP 43 -1.357 10.795 3.270
307 2HB ASP 43 2HB ASP 43 -0.785 10.243 4.850
308 HD2 ASP 43 HD ASP 43 -2.836 13.701 4.571
309 H TYR 44 H TYR 44 0.754 10.451 1.553
310 HA TYR 44 HA TYR 44 2.627 8.304 2.448
311 1HB TYR 44 1HB TYR 44 0.319 8.108 0.494
312 2HB TYR 44 2HB TYR 44 1.348 6.806 1.087
313 HD1 TYR 44 1HD TYR 44 1.429 6.640 3.769
314 HD2 TYR 44 2HD TYR 44 -1.768 8.446 1.538
315 HE1 TYR 44 1HE TYR 44 -0.055 6.356 5.714
316 HE2 TYR 44 2HE TYR 44 -3.270 8.172 3.485
317 HH TYR 44 HH TYR 44 -2.160 6.782 6.588
318 HA PRO 45 HA PRO 45 4.305 10.586 -1.239
319 1HB PRO 45 1HB PRO 45 6.710 11.409 -0.324
320 2HB PRO 45 2HB PRO 45 5.197 12.210 0.188
321 1HG PRO 45 1HG PRO 45 6.695 10.014 1.664
322 2HG PRO 45 2HG PRO 45 6.195 11.607 2.306
323 1HD PRO 45 1HD PRO 45 4.663 9.384 2.667
324 2HD PRO 45 2HD PRO 45 3.921 10.982 2.338
325 H LYS 46 H LYS 46 5.286 7.746 0.526
326 HA LYS 46 HA LYS 46 7.607 7.257 -1.205
327 1HB LYS 46 1HB LYS 46 7.561 7.188 1.407
328 2HB LYS 46 2HB LYS 46 6.743 5.638 1.203
329 1HG LYS 46 1HG LYS 46 9.127 5.332 1.557
330 2HG LYS 46 2HG LYS 46 8.716 4.774 -0.057
331 1HD LYS 46 1HD LYS 46 9.505 7.654 0.112
332 2HD LYS 46 2HD LYS 46 10.760 6.553 0.658
333 1HE LYS 46 1HE LYS 46 9.363 6.225 -2.040
334 2HE LYS 46 2HE LYS 46 10.827 7.180 -1.793
335 1HZ LYS 46 1HZ LYS 46 10.531 4.317 -1.198
336 2HZ LYS 46 2HZ LYS 46 11.305 4.958 -2.504
337 3HZ LYS 46 3HZ LYS 46 11.906 5.204 -0.990
Start of MODEL 7
1 1H LYS 1 1H LYS 1 -2.760 4.194 -9.714
2 2H LYS 1 2H LYS 1 -3.265 2.994 -8.700
3 3H LYS 1 3H LYS 1 -3.362 4.559 -8.215
4 HA LYS 1 HA LYS 1 -0.969 2.984 -8.676
5 1HB LYS 1 1HB LYS 1 0.379 4.907 -8.076
6 2HB LYS 1 2HB LYS 1 -0.591 5.217 -9.519
7 1HG LYS 1 1HG LYS 1 -2.254 6.419 -8.072
8 2HG LYS 1 2HG LYS 1 -1.159 6.287 -6.700
9 1HD LYS 1 1HD LYS 1 -0.211 7.505 -9.328
10 2HD LYS 1 2HD LYS 1 -1.249 8.428 -8.248
11 1HE LYS 1 1HE LYS 1 1.129 8.962 -7.955
12 2HE LYS 1 2HE LYS 1 0.329 8.439 -6.477
13 1HZ LYS 1 1HZ LYS 1 2.043 6.749 -8.161
14 2HZ LYS 1 2HZ LYS 1 2.503 7.482 -6.762
15 3HZ LYS 1 3HZ LYS 1 1.355 6.306 -6.726
16 H SER 2 H SER 2 0.316 2.645 -6.820
17 HA SER 2 HA SER 2 -1.176 2.525 -4.260
18 1HB SER 2 1HB SER 2 -0.166 0.431 -5.058
19 2HB SER 2 2HB SER 2 1.421 1.214 -5.142
20 HG SER 2 HG SER 2 1.030 0.015 -3.182
21 H CYS 3 H CYS 3 -0.342 3.522 -2.410
22 HA CYS 3 HA CYS 3 2.039 5.303 -2.602
23 1HB CYS 3 1HB CYS 3 -0.817 6.173 -2.021
24 2HB CYS 3 2HB CYS 3 0.613 7.159 -1.679
25 H CYS 4 H CYS 4 3.218 4.678 -0.882
26 HA CYS 4 HA CYS 4 1.862 3.672 1.564
27 1HB CYS 4 1HB CYS 4 4.571 3.113 0.319
28 2HB CYS 4 2HB CYS 4 4.138 2.556 1.911
29 HA PRO 5 HA PRO 5 3.606 6.926 3.997
30 1HB PRO 5 1HB PRO 5 4.362 5.669 6.317
31 2HB PRO 5 2HB PRO 5 2.675 5.998 5.859
32 1HG PRO 5 1HG PRO 5 4.202 3.418 5.444
33 2HG PRO 5 2HG PRO 5 2.579 3.633 6.168
34 1HD PRO 5 1HD PRO 5 2.787 2.944 3.592
35 2HD PRO 5 2HD PRO 5 1.620 4.187 4.059
36 H ASN 6 H ASN 6 5.622 3.956 3.650
37 HA ASN 6 HA ASN 6 8.014 5.465 3.058
38 1HB ASN 6 1HB ASN 6 9.258 4.790 5.137
39 2HB ASN 6 2HB ASN 6 7.986 5.956 5.436
40 1HD2 ASN 6 2HD2 ASN 6 6.533 5.488 7.038
41 2HD2 ASN 6 1HD2 ASN 6 6.270 3.898 7.724
42 H THR 7 H THR 7 9.970 3.862 3.455
43 HA THR 7 HA THR 7 9.793 1.802 1.585
44 HB THR 7 HB THR 7 11.824 2.174 3.826
45 HG1 THR 7 1HG THR 7 11.654 4.033 2.609
46 1HG2 THR 7 1HG2 THR 7 12.051 0.789 1.116
47 2HG2 THR 7 2HG2 THR 7 13.396 1.111 2.227
48 3HG2 THR 7 3HG2 THR 7 12.113 -0.007 2.705
49 H THR 8 H THR 8 9.341 1.680 5.148
50 HA THR 8 HA THR 8 9.425 -1.212 5.253
51 HB THR 8 HB THR 8 8.226 0.643 7.333
52 HG1 THR 8 1HG THR 8 10.370 1.242 6.823
53 1HG2 THR 8 1HG2 THR 8 9.480 -2.131 7.495
54 2HG2 THR 8 2HG2 THR 8 8.881 -1.172 8.863
55 3HG2 THR 8 3HG2 THR 8 7.746 -1.769 7.641
56 H GLY 9 H GLY 9 6.899 1.315 5.000
57 1HA GLY 9 1HA GLY 9 4.568 -0.282 5.057
58 2HA GLY 9 2HA GLY 9 4.785 1.215 4.136
59 H ARG 10 H ARG 10 6.670 0.659 2.272
60 HA ARG 10 HA ARG 10 5.391 -0.936 0.312
61 1HB ARG 10 1HB ARG 10 8.256 0.039 0.586
62 2HB ARG 10 2HB ARG 10 7.708 -0.882 -0.815
63 1HG ARG 10 1HG ARG 10 6.363 1.688 0.079
64 2HG ARG 10 2HG ARG 10 7.725 1.649 -1.048
65 1HD ARG 10 1HD ARG 10 6.522 0.362 -2.667
66 2HD ARG 10 2HD ARG 10 5.153 0.104 -1.573
67 HE ARG 10 HE ARG 10 5.484 2.888 -1.811
68 1HH1 ARG 10 1HH2 ARG 10 4.506 0.133 -3.832
69 2HH1 ARG 10 2HH2 ARG 10 3.496 1.112 -4.866
70 1HH2 ARG 10 1HH1 ARG 10 4.170 4.118 -3.122
71 2HH2 ARG 10 2HH1 ARG 10 3.233 3.408 -4.417
72 H ASN 11 H ASN 11 8.122 -1.789 2.522
73 HA ASN 11 HA ASN 11 8.585 -4.362 1.495
74 1HB ASN 11 1HB ASN 11 10.114 -3.342 3.053
75 2HB ASN 11 2HB ASN 11 8.886 -3.269 4.316
76 1HD2 ASN 11 2HD2 ASN 11 8.433 -5.072 5.581
77 2HD2 ASN 11 1HD2 ASN 11 9.368 -6.545 5.475
78 H ILE 12 H ILE 12 6.278 -3.411 4.124
79 HA ILE 12 HA ILE 12 5.348 -6.057 4.628
80 HB ILE 12 HB ILE 12 4.057 -3.343 5.074
81 1HG1 ILE 12 1HG1 ILE 12 5.358 -5.188 7.114
82 2HG1 ILE 12 2HG1 ILE 12 6.288 -3.967 6.257
83 1HG2 ILE 12 1HG2 ILE 12 3.282 -6.108 6.129
84 2HG2 ILE 12 2HG2 ILE 12 2.601 -4.587 6.729
85 3HG2 ILE 12 3HG2 ILE 12 2.294 -5.085 5.072
86 1HD1 ILE 12 1HD1 ILE 12 3.921 -3.393 8.077
87 2HD1 ILE 12 2HD1 ILE 12 5.631 -3.059 8.376
88 3HD1 ILE 12 3HD1 ILE 12 4.778 -2.184 7.094
89 H TYR 13 H TYR 13 4.082 -3.441 2.528
90 HA TYR 13 HA TYR 13 1.783 -4.713 1.567
91 1HB TYR 13 1HB TYR 13 2.169 -2.365 1.245
92 2HB TYR 13 2HB TYR 13 3.668 -2.656 0.376
93 HD1 TYR 13 1HD TYR 13 3.611 -2.389 -1.953
94 HD2 TYR 13 2HD TYR 13 0.037 -3.609 0.113
95 HE1 TYR 13 1HE TYR 13 2.382 -2.401 -4.097
96 HE2 TYR 13 2HE TYR 13 -1.198 -3.629 -2.040
97 HH TYR 13 HH TYR 13 0.372 -2.833 -5.158
98 H ASN 14 H ASN 14 5.055 -4.642 0.101
99 HA ASN 14 HA ASN 14 4.464 -6.308 -2.122
100 1HB ASN 14 1HB ASN 14 7.024 -5.443 -0.742
101 2HB ASN 14 2HB ASN 14 7.046 -6.633 -2.035
102 1HD2 ASN 14 2HD2 ASN 14 6.195 -3.247 -1.314
103 2HD2 ASN 14 1HD2 ASN 14 6.246 -2.721 -2.986
104 H THR 15 H THR 15 5.867 -7.089 1.116
105 HA THR 15 HA THR 15 6.337 -9.831 0.612
106 HB THR 15 HB THR 15 5.671 -8.383 3.210
107 HG1 THR 15 1HG THR 15 7.552 -7.692 2.167
108 1HG2 THR 15 1HG2 THR 15 6.869 -11.153 2.759
109 2HG2 THR 15 2HG2 THR 15 6.803 -10.299 4.313
110 3HG2 THR 15 3HG2 THR 15 5.304 -10.803 3.526
111 H CYS 16 H CYS 16 3.433 -8.177 1.917
112 HA CYS 16 HA CYS 16 1.848 -10.509 2.271
113 1HB CYS 16 1HB CYS 16 1.343 -8.482 3.393
114 2HB CYS 16 2HB CYS 16 1.209 -7.572 1.893
115 H ARG 17 H ARG 17 2.211 -8.284 -0.529
116 HA ARG 17 HA ARG 17 0.242 -9.486 -2.180
117 1HB ARG 17 1HB ARG 17 2.763 -7.902 -2.752
118 2HB ARG 17 2HB ARG 17 1.735 -8.483 -4.052
119 1HG ARG 17 1HG ARG 17 0.358 -6.973 -1.838
120 2HG ARG 17 2HG ARG 17 1.443 -6.059 -2.890
121 1HD ARG 17 1HD ARG 17 -0.794 -5.966 -3.791
122 2HD ARG 17 2HD ARG 17 0.288 -6.838 -4.878
123 HE ARG 17 HE ARG 17 -1.361 -8.404 -2.946
124 1HH1 ARG 17 1HH2 ARG 17 -0.997 -7.366 -6.339
125 2HH1 ARG 17 2HH2 ARG 17 -1.945 -8.695 -6.952
126 1HH2 ARG 17 1HH1 ARG 17 -2.529 -10.137 -3.784
127 2HH2 ARG 17 2HH1 ARG 17 -2.822 -10.278 -5.501
128 H PHE 18 H PHE 18 3.749 -10.210 -1.830
129 HA PHE 18 HA PHE 18 3.775 -12.328 -3.765
130 1HB PHE 18 1HB PHE 18 5.590 -11.489 -1.494
131 2HB PHE 18 2HB PHE 18 5.815 -13.049 -2.269
132 HD1 PHE 18 1HD PHE 18 6.757 -9.624 -2.489
133 HD2 PHE 18 2HD PHE 18 5.991 -13.157 -4.842
134 HE1 PHE 18 1HE PHE 18 8.037 -8.652 -4.367
135 HE2 PHE 18 2HE PHE 18 7.325 -12.200 -6.700
136 HZ PHE 18 HZ PHE 18 8.357 -9.951 -6.464
137 H ALA 19 H ALA 19 3.147 -12.274 -0.228
138 HA ALA 19 HA ALA 19 3.017 -15.062 0.173
139 1HB ALA 19 1HB ALA 19 3.085 -13.394 1.992
140 2HB ALA 19 2HB ALA 19 1.432 -12.886 1.594
141 3HB ALA 19 3HB ALA 19 1.736 -14.530 2.177
142 H GLY 20 H GLY 20 0.473 -12.727 -0.841
143 1HA GLY 20 1HA GLY 20 -0.713 -14.065 -2.794
144 2HA GLY 20 2HA GLY 20 -1.432 -14.923 -1.421
145 H GLY 21 H GLY 21 -1.309 -12.277 0.179
146 1HA GLY 21 1HA GLY 21 -4.046 -11.850 0.040
147 2HA GLY 21 2HA GLY 21 -2.891 -10.764 0.823
148 H SER 22 H SER 22 -5.381 -10.178 -0.699
149 HA SER 22 HA SER 22 -4.880 -9.182 -3.281
150 1HB SER 22 1HB SER 22 -6.953 -8.179 -1.295
151 2HB SER 22 2HB SER 22 -7.045 -8.140 -3.065
152 HG SER 22 HG SER 22 -6.971 -10.458 -2.989
153 H ARG 23 H ARG 23 -4.933 -6.936 -4.007
154 HA ARG 23 HA ARG 23 -2.829 -5.405 -3.011
155 1HB ARG 23 1HB ARG 23 -5.228 -4.560 -4.688
156 2HB ARG 23 2HB ARG 23 -3.780 -3.573 -4.431
157 1HG ARG 23 1HG ARG 23 -2.361 -5.236 -5.484
158 2HG ARG 23 2HG ARG 23 -3.714 -6.367 -5.675
159 1HD ARG 23 1HD ARG 23 -3.571 -3.599 -6.926
160 2HD ARG 23 2HD ARG 23 -3.119 -5.108 -7.750
161 HE ARG 23 HE ARG 23 -5.715 -5.489 -6.754
162 1HH1 ARG 23 1HH2 ARG 23 -4.103 -3.383 -9.113
163 2HH1 ARG 23 2HH2 ARG 23 -5.508 -3.242 -10.138
164 1HH2 ARG 23 1HH1 ARG 23 -7.549 -5.308 -8.119
165 2HH2 ARG 23 2HH1 ARG 23 -7.472 -4.342 -9.570
166 H GLU 24 H GLU 24 -6.341 -4.664 -2.650
167 HA GLU 24 HA GLU 24 -6.022 -2.424 -1.014
168 1HB GLU 24 1HB GLU 24 -8.070 -3.396 -2.289
169 2HB GLU 24 2HB GLU 24 -8.393 -4.315 -0.817
170 1HG GLU 24 1HG GLU 24 -8.158 -1.279 -1.094
171 2HG GLU 24 2HG GLU 24 -9.652 -2.206 -0.951
172 HE2 GLU 24 HE GLU 24 -7.744 -1.069 2.334
173 H ARG 25 H ARG 25 -6.465 -5.861 -0.123
174 HA ARG 25 HA ARG 25 -6.685 -5.566 2.658
175 1HB ARG 25 1HB ARG 25 -7.106 -7.562 1.106
176 2HB ARG 25 2HB ARG 25 -5.394 -7.942 1.236
177 1HG ARG 25 1HG ARG 25 -7.394 -7.756 3.543
178 2HG ARG 25 2HG ARG 25 -6.892 -9.234 2.715
179 1HD ARG 25 1HD ARG 25 -4.510 -8.752 3.442
180 2HD ARG 25 2HD ARG 25 -5.173 -7.469 4.485
181 HE ARG 25 HE ARG 25 -6.655 -9.810 4.955
182 1HH1 ARG 25 1HH2 ARG 25 -3.346 -8.638 5.491
183 2HH1 ARG 25 2HH2 ARG 25 -3.082 -9.653 6.887
184 1HH2 ARG 25 1HH1 ARG 25 -6.305 -11.112 6.789
185 2HH2 ARG 25 2HH1 ARG 25 -4.780 -11.064 7.635
186 H CYS 26 H CYS 26 -3.779 -6.355 0.699
187 HA CYS 26 HA CYS 26 -1.889 -6.290 2.820
188 1HB CYS 26 1HB CYS 26 -1.605 -5.807 -0.177
189 2HB CYS 26 2HB CYS 26 -0.252 -6.002 0.935
190 H ALA 27 H ALA 27 -3.074 -3.737 0.617
191 HA ALA 27 HA ALA 27 -1.284 -1.689 1.409
192 1HB ALA 27 1HB ALA 27 -4.150 -1.470 0.413
193 2HB ALA 27 2HB ALA 27 -2.943 -0.174 0.439
194 3HB ALA 27 3HB ALA 27 -2.687 -1.592 -0.588
195 H LYS 28 H LYS 28 -4.469 -2.751 2.733
196 HA LYS 28 HA LYS 28 -4.706 -0.782 4.726
197 1HB LYS 28 1HB LYS 28 -6.261 -2.751 3.771
198 2HB LYS 28 2HB LYS 28 -5.688 -3.596 5.202
199 1HG LYS 28 1HG LYS 28 -7.047 -0.855 5.148
200 2HG LYS 28 2HG LYS 28 -7.835 -2.407 5.465
201 1HD LYS 28 1HD LYS 28 -6.288 -2.738 7.431
202 2HD LYS 28 2HD LYS 28 -5.667 -1.094 7.166
203 1HE LYS 28 1HE LYS 28 -7.915 -0.157 7.508
204 2HE LYS 28 2HE LYS 28 -8.575 -1.787 7.743
205 1HZ LYS 28 1HZ LYS 28 -6.528 -0.530 9.432
206 2HZ LYS 28 2HZ LYS 28 -8.126 -0.689 9.812
207 3HZ LYS 28 3HZ LYS 28 -7.181 -2.028 9.649
208 H LEU 29 H LEU 29 -3.326 -4.099 4.850
209 HA LEU 29 HA LEU 29 -2.612 -4.232 7.525
210 1HB LEU 29 1HB LEU 29 -2.552 -6.095 5.827
211 2HB LEU 29 2HB LEU 29 -1.090 -5.377 5.145
212 HG LEU 29 HG LEU 29 0.072 -5.719 7.356
213 1HD1 LEU 29 1HD1 LEU 29 -2.482 -7.270 7.991
214 2HD1 LEU 29 2HD1 LEU 29 -0.967 -7.395 8.906
215 3HD1 LEU 29 3HD1 LEU 29 -1.855 -5.867 8.882
216 1HD2 LEU 29 1HD2 LEU 29 0.335 -7.289 5.475
217 2HD2 LEU 29 2HD2 LEU 29 0.376 -8.136 7.030
218 3HD2 LEU 29 3HD2 LEU 29 -1.087 -8.199 6.027
219 H SER 30 H SER 30 -0.746 -2.928 4.794
220 HA SER 30 HA SER 30 1.627 -2.302 6.375
221 1HB SER 30 1HB SER 30 2.328 -1.204 4.230
222 2HB SER 30 2HB SER 30 1.911 -2.924 4.074
223 HG SER 30 HG SER 30 -0.038 -2.372 3.197
224 H GLY 31 H GLY 31 -1.192 -0.559 5.139
225 1HA GLY 31 1HA GLY 31 -2.101 1.382 6.114
226 2HA GLY 31 2HA GLY 31 -0.509 1.891 6.694
227 H CYS 32 H CYS 32 -0.755 0.584 3.439
228 HA CYS 32 HA CYS 32 -0.212 3.205 2.217
229 1HB CYS 32 1HB CYS 32 -0.533 0.488 0.900
230 2HB CYS 32 2HB CYS 32 0.208 1.920 0.204
231 H LYS 33 H LYS 33 -1.477 3.841 0.305
232 HA LYS 33 HA LYS 33 -4.367 3.089 0.390
233 1HB LYS 33 1HB LYS 33 -3.102 5.451 -1.022
234 2HB LYS 33 2HB LYS 33 -4.811 5.180 -0.689
235 1HG LYS 33 1HG LYS 33 -2.656 5.824 1.378
236 2HG LYS 33 2HG LYS 33 -3.769 6.959 0.627
237 1HD LYS 33 1HD LYS 33 -4.770 6.623 2.639
238 2HD LYS 33 2HD LYS 33 -5.698 5.544 1.599
239 1HE LYS 33 1HE LYS 33 -4.737 3.616 2.589
240 2HE LYS 33 2HE LYS 33 -3.298 4.501 3.158
241 1HZ LYS 33 1HZ LYS 33 -4.647 5.596 4.744
242 2HZ LYS 33 2HZ LYS 33 -6.001 4.792 4.236
243 3HZ LYS 33 3HZ LYS 33 -4.751 3.963 4.926
244 H ILE 34 H ILE 34 -5.338 2.491 -1.542
245 HA ILE 34 HA ILE 34 -3.682 2.234 -4.018
246 HB ILE 34 HB ILE 34 -5.952 0.446 -3.040
247 1HG1 ILE 34 1HG1 ILE 34 -3.765 0.093 -1.845
248 2HG1 ILE 34 2HG1 ILE 34 -4.459 -1.293 -2.666
249 1HG2 ILE 34 1HG2 ILE 34 -4.302 0.404 -5.600
250 2HG2 ILE 34 2HG2 ILE 34 -5.310 -0.952 -5.043
251 3HG2 ILE 34 3HG2 ILE 34 -6.057 0.600 -5.442
252 1HD1 ILE 34 1HD1 ILE 34 -2.845 -1.110 -4.489
253 2HD1 ILE 34 2HD1 ILE 34 -2.235 0.427 -3.828
254 3HD1 ILE 34 3HD1 ILE 34 -1.981 -1.086 -2.945
255 H ILE 35 H ILE 35 -4.330 4.126 -5.026
256 HA ILE 35 HA ILE 35 -7.218 4.410 -5.599
257 HB ILE 35 HB ILE 35 -7.145 6.813 -5.222
258 1HG1 ILE 35 1HG1 ILE 35 -4.383 6.323 -4.006
259 2HG1 ILE 35 2HG1 ILE 35 -4.769 7.316 -5.422
260 1HG2 ILE 35 1HG2 ILE 35 -7.943 5.175 -3.470
261 2HG2 ILE 35 2HG2 ILE 35 -6.368 5.369 -2.663
262 3HG2 ILE 35 3HG2 ILE 35 -7.468 6.750 -2.845
263 1HD1 ILE 35 1HD1 ILE 35 -6.137 8.815 -3.975
264 2HD1 ILE 35 2HD1 ILE 35 -5.586 7.889 -2.548
265 3HD1 ILE 35 3HD1 ILE 35 -4.418 8.748 -3.542
266 H SER 36 H SER 36 -7.635 4.954 -7.640
267 HA SER 36 HA SER 36 -5.309 5.228 -9.486
268 1HB SER 36 1HB SER 36 -6.846 3.287 -9.741
269 2HB SER 36 2HB SER 36 -8.176 4.415 -10.080
270 HG SER 36 HG SER 36 -6.912 5.189 -11.836
271 H ALA 37 H ALA 37 -6.135 7.516 -7.956
272 HA ALA 37 HA ALA 37 -7.610 9.281 -9.788
273 1HB ALA 37 1HB ALA 37 -6.180 9.834 -7.163
274 2HB ALA 37 2HB ALA 37 -7.285 10.933 -8.018
275 3HB ALA 37 3HB ALA 37 -7.898 9.415 -7.334
276 H SER 38 H SER 38 -4.487 8.074 -9.820
277 HA SER 38 HA SER 38 -2.459 8.712 -10.486
278 1HB SER 38 1HB SER 38 -3.694 9.167 -12.576
279 2HB SER 38 2HB SER 38 -3.926 10.847 -12.065
280 HG SER 38 HG SER 38 -1.613 10.985 -11.974
281 H THR 39 H THR 39 -3.630 9.897 -8.028
282 HA THR 39 HA THR 39 -1.650 11.960 -7.434
283 HB THR 39 HB THR 39 -4.667 12.454 -7.314
284 HG1 THR 39 1HG THR 39 -4.181 14.112 -8.765
285 1HG2 THR 39 1HG2 THR 39 -4.036 14.739 -6.528
286 2HG2 THR 39 2HG2 THR 39 -3.621 13.488 -5.352
287 3HG2 THR 39 3HG2 THR 39 -2.351 14.202 -6.377
288 H CYS 40 H CYS 40 -1.348 12.062 -5.151
289 HA CYS 40 HA CYS 40 -3.099 10.468 -3.409
290 1HB CYS 40 1HB CYS 40 -0.104 10.076 -3.740
291 2HB CYS 40 2HB CYS 40 -0.961 9.587 -2.277
292 HA PRO 41 HA PRO 41 -2.615 14.125 -1.048
293 1HB PRO 41 1HB PRO 41 -3.363 13.356 1.464
294 2HB PRO 41 2HB PRO 41 -4.496 13.374 0.084
295 1HG PRO 41 1HG PRO 41 -2.924 11.002 1.134
296 2HG PRO 41 2HG PRO 41 -4.685 11.093 0.834
297 1HD PRO 41 1HD PRO 41 -3.010 10.042 -1.023
298 2HD PRO 41 2HD PRO 41 -4.372 11.081 -1.521
299 H SER 42 H SER 42 -1.425 15.129 0.740
300 HA SER 42 HA SER 42 1.326 14.283 0.805
301 1HB SER 42 1HB SER 42 -0.084 16.572 2.237
302 2HB SER 42 2HB SER 42 1.669 16.381 2.008
303 HG SER 42 HG SER 42 1.225 16.378 -0.275
304 H ASP 43 H ASP 43 0.579 12.195 1.793
305 HA ASP 43 HA ASP 43 1.085 12.143 4.715
306 1HB ASP 43 1HB ASP 43 -1.307 10.890 3.291
307 2HB ASP 43 2HB ASP 43 -0.761 10.418 4.904
308 HD2 ASP 43 HD ASP 43 -2.746 13.893 4.388
309 H TYR 44 H TYR 44 0.782 10.469 1.571
310 HA TYR 44 HA TYR 44 2.561 8.272 2.515
311 1HB TYR 44 1HB TYR 44 0.416 8.221 0.390
312 2HB TYR 44 2HB TYR 44 1.370 6.873 0.995
313 HD1 TYR 44 1HD TYR 44 -1.632 8.817 1.421
314 HD2 TYR 44 2HD TYR 44 1.188 6.398 3.582
315 HE1 TYR 44 1HE TYR 44 -3.311 8.439 3.198
316 HE2 TYR 44 2HE TYR 44 -0.495 5.974 5.339
317 HH TYR 44 HH TYR 44 -2.676 6.316 6.013
318 HA PRO 45 HA PRO 45 4.693 10.749 -0.786
319 1HB PRO 45 1HB PRO 45 7.225 10.778 0.218
320 2HB PRO 45 2HB PRO 45 5.926 11.821 0.863
321 1HG PRO 45 1HG PRO 45 6.802 9.118 1.933
322 2HG PRO 45 2HG PRO 45 6.653 10.650 2.845
323 1HD PRO 45 1HD PRO 45 4.653 8.846 2.838
324 2HD PRO 45 2HD PRO 45 4.277 10.589 2.711
325 H LYS 46 H LYS 46 5.216 7.460 0.376
326 HA LYS 46 HA LYS 46 7.180 6.878 -1.755
327 1HB LYS 46 1HB LYS 46 7.578 6.353 0.703
328 2HB LYS 46 2HB LYS 46 6.254 5.198 0.598
329 1HG LYS 46 1HG LYS 46 7.987 3.795 0.174
330 2HG LYS 46 2HG LYS 46 7.674 4.278 -1.493
331 1HD LYS 46 1HD LYS 46 9.790 5.369 0.418
332 2HD LYS 46 2HD LYS 46 10.037 4.300 -0.976
333 1HE LYS 46 1HE LYS 46 9.251 6.162 -2.480
334 2HE LYS 46 2HE LYS 46 9.225 7.228 -1.048
335 1HZ LYS 46 1HZ LYS 46 11.541 6.799 -0.762
336 2HZ LYS 46 2HZ LYS 46 11.573 5.845 -2.108
337 3HZ LYS 46 3HZ LYS 46 11.233 7.451 -2.243
Start of MODEL 8
1 1H LYS 1 1H LYS 1 -2.769 7.074 -7.656
2 2H LYS 1 2H LYS 1 -3.029 5.760 -6.714
3 3H LYS 1 3H LYS 1 -1.923 6.901 -6.262
4 HA LYS 1 HA LYS 1 -1.793 5.069 -8.522
5 1HB LYS 1 1HB LYS 1 0.333 6.088 -9.165
6 2HB LYS 1 2HB LYS 1 -1.006 7.234 -9.223
7 1HG LYS 1 1HG LYS 1 -0.297 8.289 -7.142
8 2HG LYS 1 2HG LYS 1 0.938 7.044 -6.884
9 1HD LYS 1 1HD LYS 1 1.992 9.049 -7.679
10 2HD LYS 1 2HD LYS 1 2.138 7.783 -8.911
11 1HE LYS 1 1HE LYS 1 0.272 8.823 -10.194
12 2HE LYS 1 2HE LYS 1 0.075 10.036 -8.910
13 1HZ LYS 1 1HZ LYS 1 2.285 10.797 -9.403
14 2HZ LYS 1 2HZ LYS 1 2.441 9.677 -10.603
15 3HZ LYS 1 3HZ LYS 1 1.317 10.874 -10.734
16 H SER 2 H SER 2 -1.996 4.523 -5.593
17 HA SER 2 HA SER 2 -1.245 3.033 -4.140
18 1HB SER 2 1HB SER 2 0.786 2.099 -6.186
19 2HB SER 2 2HB SER 2 0.193 1.231 -4.765
20 HG SER 2 HG SER 2 -1.385 2.081 -6.969
21 H CYS 3 H CYS 3 -0.394 4.057 -2.400
22 HA CYS 3 HA CYS 3 2.403 5.111 -2.497
23 1HB CYS 3 1HB CYS 3 -0.101 6.691 -1.888
24 2HB CYS 3 2HB CYS 3 1.540 7.214 -1.512
25 H CYS 4 H CYS 4 3.466 5.089 -0.598
26 HA CYS 4 HA CYS 4 2.093 3.837 1.733
27 1HB CYS 4 1HB CYS 4 4.830 3.412 0.504
28 2HB CYS 4 2HB CYS 4 4.420 2.824 2.104
29 HA PRO 5 HA PRO 5 3.840 7.154 4.140
30 1HB PRO 5 1HB PRO 5 4.012 6.059 6.627
31 2HB PRO 5 2HB PRO 5 2.457 6.413 5.837
32 1HG PRO 5 1HG PRO 5 3.898 3.748 5.949
33 2HG PRO 5 2HG PRO 5 2.182 4.087 6.313
34 1HD PRO 5 1HD PRO 5 2.972 3.152 3.879
35 2HD PRO 5 2HD PRO 5 1.649 4.316 4.038
36 H ASN 6 H ASN 6 5.445 3.947 4.189
37 HA ASN 6 HA ASN 6 8.101 5.210 4.386
38 1HB ASN 6 1HB ASN 6 7.017 3.220 6.426
39 2HB ASN 6 2HB ASN 6 8.711 3.709 6.290
40 1HD2 ASN 6 2HD2 ASN 6 5.716 4.468 7.759
41 2HD2 ASN 6 1HD2 ASN 6 6.152 6.046 8.376
42 H THR 7 H THR 7 9.838 3.649 4.172
43 HA THR 7 HA THR 7 9.534 1.800 2.054
44 HB THR 7 HB THR 7 11.744 1.899 4.145
45 HG1 THR 7 1HG THR 7 12.654 3.452 2.753
46 1HG2 THR 7 1HG2 THR 7 11.731 1.128 1.186
47 2HG2 THR 7 2HG2 THR 7 13.164 1.198 2.231
48 3HG2 THR 7 3HG2 THR 7 11.899 0.001 2.549
49 H THR 8 H THR 8 9.336 1.481 5.604
50 HA THR 8 HA THR 8 9.271 -1.373 5.728
51 HB THR 8 HB THR 8 7.939 0.652 7.575
52 HG1 THR 8 1HG THR 8 10.178 1.012 7.327
53 1HG2 THR 8 1HG2 THR 8 8.265 -1.155 9.264
54 2HG2 THR 8 2HG2 THR 8 7.179 -1.677 7.966
55 3HG2 THR 8 3HG2 THR 8 8.867 -2.235 7.990
56 H GLY 9 H GLY 9 6.790 1.143 5.110
57 1HA GLY 9 1HA GLY 9 4.479 -0.518 5.063
58 2HA GLY 9 2HA GLY 9 4.703 1.010 4.197
59 H ARG 10 H ARG 10 6.735 0.557 2.448
60 HA ARG 10 HA ARG 10 5.572 -0.963 0.360
61 1HB ARG 10 1HB ARG 10 8.429 -0.016 0.807
62 2HB ARG 10 2HB ARG 10 7.912 -0.820 -0.674
63 1HG ARG 10 1HG ARG 10 6.593 1.713 0.375
64 2HG ARG 10 2HG ARG 10 7.964 1.707 -0.742
65 1HD ARG 10 1HD ARG 10 6.694 0.441 -2.408
66 2HD ARG 10 2HD ARG 10 5.296 0.352 -1.327
67 HE ARG 10 HE ARG 10 6.195 3.074 -1.764
68 1HH1 ARG 10 1HH2 ARG 10 4.163 0.505 -3.160
69 2HH1 ARG 10 2HH2 ARG 10 3.200 1.634 -4.083
70 1HH2 ARG 10 1HH1 ARG 10 4.944 4.487 -2.927
71 2HH2 ARG 10 2HH1 ARG 10 3.636 3.922 -3.952
72 H ASN 11 H ASN 11 8.112 -1.892 2.711
73 HA ASN 11 HA ASN 11 8.705 -4.432 1.633
74 1HB ASN 11 1HB ASN 11 10.140 -3.484 3.279
75 2HB ASN 11 2HB ASN 11 8.830 -3.288 4.440
76 1HD2 ASN 11 2HD2 ASN 11 8.448 -4.876 5.916
77 2HD2 ASN 11 1HD2 ASN 11 9.223 -6.442 5.894
78 H ILE 12 H ILE 12 6.304 -3.584 4.226
79 HA ILE 12 HA ILE 12 5.372 -6.252 4.555
80 HB ILE 12 HB ILE 12 4.049 -3.580 5.134
81 1HG1 ILE 12 1HG1 ILE 12 5.356 -5.557 7.056
82 2HG1 ILE 12 2HG1 ILE 12 6.252 -4.233 6.325
83 1HG2 ILE 12 1HG2 ILE 12 3.265 -6.410 5.993
84 2HG2 ILE 12 2HG2 ILE 12 2.559 -4.932 6.669
85 3HG2 ILE 12 3HG2 ILE 12 2.301 -5.324 4.976
86 1HD1 ILE 12 1HD1 ILE 12 4.649 -2.590 7.282
87 2HD1 ILE 12 2HD1 ILE 12 3.851 -3.918 8.159
88 3HD1 ILE 12 3HD1 ILE 12 5.542 -3.528 8.496
89 H TYR 13 H TYR 13 4.183 -3.553 2.523
90 HA TYR 13 HA TYR 13 1.924 -4.782 1.429
91 1HB TYR 13 1HB TYR 13 2.426 -2.405 1.219
92 2HB TYR 13 2HB TYR 13 3.850 -2.750 0.244
93 HD1 TYR 13 1HD TYR 13 3.629 -2.538 -2.097
94 HD2 TYR 13 2HD TYR 13 0.157 -3.478 0.273
95 HE1 TYR 13 1HE TYR 13 2.204 -2.366 -4.117
96 HE2 TYR 13 2HE TYR 13 -1.262 -3.323 -1.749
97 HH TYR 13 HH TYR 13 -1.358 -2.765 -3.941
98 H ASN 14 H ASN 14 5.284 -4.716 0.130
99 HA ASN 14 HA ASN 14 4.776 -6.315 -2.158
100 1HB ASN 14 1HB ASN 14 7.262 -5.481 -0.651
101 2HB ASN 14 2HB ASN 14 7.363 -6.718 -1.895
102 1HD2 ASN 14 2HD2 ASN 14 6.153 -3.361 -1.409
103 2HD2 ASN 14 1HD2 ASN 14 6.419 -2.881 -3.076
104 H THR 15 H THR 15 5.881 -7.250 1.153
105 HA THR 15 HA THR 15 6.291 -9.996 0.564
106 HB THR 15 HB THR 15 5.460 -8.648 3.168
107 HG1 THR 15 1HG THR 15 7.697 -8.692 3.515
108 1HG2 THR 15 1HG2 THR 15 6.523 -10.634 4.237
109 2HG2 THR 15 2HG2 THR 15 5.089 -11.091 3.306
110 3HG2 THR 15 3HG2 THR 15 6.712 -11.386 2.639
111 H CYS 16 H CYS 16 3.386 -8.238 1.714
112 HA CYS 16 HA CYS 16 1.676 -10.513 1.883
113 1HB CYS 16 1HB CYS 16 1.313 -8.468 3.085
114 2HB CYS 16 2HB CYS 16 1.129 -7.545 1.599
115 H ARG 17 H ARG 17 2.390 -8.230 -0.777
116 HA ARG 17 HA ARG 17 0.452 -9.223 -2.626
117 1HB ARG 17 1HB ARG 17 3.116 -7.807 -2.980
118 2HB ARG 17 2HB ARG 17 2.075 -8.190 -4.338
119 1HG ARG 17 1HG ARG 17 0.705 -6.771 -2.093
120 2HG ARG 17 2HG ARG 17 2.000 -5.856 -2.855
121 1HD ARG 17 1HD ARG 17 -0.324 -5.490 -3.821
122 2HD ARG 17 2HD ARG 17 0.989 -5.812 -4.951
123 HE ARG 17 HE ARG 17 -0.096 -7.638 -5.697
124 1HH1 ARG 17 1HH2 ARG 17 -1.287 -7.027 -2.402
125 2HH1 ARG 17 2HH2 ARG 17 -2.445 -8.333 -2.470
126 1HH2 ARG 17 1HH1 ARG 17 -1.739 -9.245 -5.791
127 2HH2 ARG 17 2HH1 ARG 17 -2.691 -9.582 -4.363
128 H PHE 18 H PHE 18 3.855 -10.127 -1.981
129 HA PHE 18 HA PHE 18 4.042 -12.082 -4.046
130 1HB PHE 18 1HB PHE 18 5.974 -11.041 -2.946
131 2HB PHE 18 2HB PHE 18 5.560 -11.824 -1.424
132 HD1 PHE 18 1HD PHE 18 6.682 -12.428 -4.932
133 HD2 PHE 18 2HD PHE 18 6.131 -14.149 -1.016
134 HE1 PHE 18 1HE PHE 18 7.967 -14.431 -5.629
135 HE2 PHE 18 2HE PHE 18 7.405 -16.154 -1.722
136 HZ PHE 18 HZ PHE 18 8.329 -16.298 -4.026
137 H ALA 19 H ALA 19 3.117 -12.309 -0.578
138 HA ALA 19 HA ALA 19 2.755 -15.119 -0.447
139 1HB ALA 19 1HB ALA 19 1.322 -12.897 1.070
140 2HB ALA 19 2HB ALA 19 1.361 -14.615 1.516
141 3HB ALA 19 3HB ALA 19 2.859 -13.662 1.531
142 H GLY 20 H GLY 20 0.517 -12.463 -1.314
143 1HA GLY 20 1HA GLY 20 -0.812 -12.733 -3.280
144 2HA GLY 20 2HA GLY 20 -1.161 -14.407 -2.850
145 H GLY 21 H GLY 21 -1.271 -11.465 -0.762
146 1HA GLY 21 1HA GLY 21 -4.121 -11.883 -0.130
147 2HA GLY 21 2HA GLY 21 -3.065 -10.581 0.436
148 H SER 22 H SER 22 -5.529 -9.749 -0.409
149 HA SER 22 HA SER 22 -5.457 -8.936 -3.217
150 1HB SER 22 1HB SER 22 -7.202 -7.947 -0.938
151 2HB SER 22 2HB SER 22 -7.466 -7.688 -2.670
152 HG SER 22 HG SER 22 -8.682 -9.454 -1.859
153 H ARG 23 H ARG 23 -5.143 -6.763 -3.948
154 HA ARG 23 HA ARG 23 -2.916 -5.409 -2.921
155 1HB ARG 23 1HB ARG 23 -5.174 -4.308 -4.648
156 2HB ARG 23 2HB ARG 23 -3.629 -3.513 -4.319
157 1HG ARG 23 1HG ARG 23 -2.514 -5.671 -5.248
158 2HG ARG 23 2HG ARG 23 -4.125 -6.088 -5.857
159 1HD ARG 23 1HD ARG 23 -2.936 -4.971 -7.624
160 2HD ARG 23 2HD ARG 23 -4.169 -3.845 -7.020
161 HE ARG 23 HE ARG 23 -1.565 -3.602 -5.709
162 1HH1 ARG 23 1HH2 ARG 23 -3.379 -2.525 -8.574
163 2HH1 ARG 23 2HH2 ARG 23 -2.509 -1.018 -8.690
164 1HH2 ARG 23 1HH1 ARG 23 -0.482 -1.668 -5.855
165 2HH2 ARG 23 2HH1 ARG 23 -0.898 -0.473 -7.063
166 H GLU 24 H GLU 24 -6.358 -4.429 -2.582
167 HA GLU 24 HA GLU 24 -5.916 -2.184 -0.944
168 1HB GLU 24 1HB GLU 24 -8.317 -4.055 -1.090
169 2HB GLU 24 2HB GLU 24 -8.293 -2.478 -0.283
170 1HG GLU 24 1HG GLU 24 -7.678 -1.394 -2.458
171 2HG GLU 24 2HG GLU 24 -7.794 -2.969 -3.258
172 HE2 GLU 24 HE GLU 24 -9.556 -0.554 -1.524
173 H ARG 25 H ARG 25 -6.560 -5.593 0.007
174 HA ARG 25 HA ARG 25 -6.680 -5.152 2.788
175 1HB ARG 25 1HB ARG 25 -7.334 -7.172 1.323
176 2HB ARG 25 2HB ARG 25 -5.670 -7.723 1.493
177 1HG ARG 25 1HG ARG 25 -7.595 -7.115 3.797
178 2HG ARG 25 2HG ARG 25 -7.363 -8.704 3.060
179 1HD ARG 25 1HD ARG 25 -4.917 -8.571 3.674
180 2HD ARG 25 2HD ARG 25 -5.305 -7.120 4.634
181 HE ARG 25 HE ARG 25 -7.129 -9.103 5.384
182 1HH1 ARG 25 1HH2 ARG 25 -3.630 -8.560 5.554
183 2HH1 ARG 25 2HH2 ARG 25 -3.412 -9.533 6.987
184 1HH2 ARG 25 1HH1 ARG 25 -6.841 -10.374 7.273
185 2HH2 ARG 25 2HH1 ARG 25 -5.254 -10.571 7.971
186 H CYS 26 H CYS 26 -3.917 -6.240 0.765
187 HA CYS 26 HA CYS 26 -1.916 -6.261 2.764
188 1HB CYS 26 1HB CYS 26 -1.776 -5.700 -0.228
189 2HB CYS 26 2HB CYS 26 -0.371 -5.955 0.802
190 H ALA 27 H ALA 27 -3.112 -3.583 0.707
191 HA ALA 27 HA ALA 27 -1.161 -1.679 1.495
192 1HB ALA 27 1HB ALA 27 -3.994 -1.192 0.537
193 2HB ALA 27 2HB ALA 27 -2.641 -0.043 0.544
194 3HB ALA 27 3HB ALA 27 -2.562 -1.482 -0.480
195 H LYS 28 H LYS 28 -4.492 -2.324 2.789
196 HA LYS 28 HA LYS 28 -4.432 -0.434 4.888
197 1HB LYS 28 1HB LYS 28 -5.931 -2.989 4.313
198 2HB LYS 28 2HB LYS 28 -5.893 -2.419 5.974
199 1HG LYS 28 1HG LYS 28 -7.847 -1.511 5.028
200 2HG LYS 28 2HG LYS 28 -6.701 -0.176 5.222
201 1HD LYS 28 1HD LYS 28 -6.144 -0.399 2.752
202 2HD LYS 28 2HD LYS 28 -7.345 -1.707 2.667
203 1HE LYS 28 1HE LYS 28 -8.375 0.290 1.834
204 2HE LYS 28 2HE LYS 28 -9.121 -0.120 3.387
205 1HZ LYS 28 1HZ LYS 28 -7.037 1.905 2.948
206 2HZ LYS 28 2HZ LYS 28 -8.638 2.202 3.205
207 3HZ LYS 28 3HZ LYS 28 -7.723 1.541 4.405
208 H LEU 29 H LEU 29 -3.464 -3.893 4.917
209 HA LEU 29 HA LEU 29 -2.686 -4.136 7.574
210 1HB LEU 29 1HB LEU 29 -2.885 -6.017 6.002
211 2HB LEU 29 2HB LEU 29 -1.526 -5.396 5.063
212 HG LEU 29 HG LEU 29 -0.017 -5.764 7.044
213 1HD1 LEU 29 1HD1 LEU 29 -1.668 -5.753 8.872
214 2HD1 LEU 29 2HD1 LEU 29 -2.483 -7.171 8.173
215 3HD1 LEU 29 3HD1 LEU 29 -0.836 -7.312 8.821
216 1HD2 LEU 29 1HD2 LEU 29 -1.475 -8.225 6.030
217 2HD2 LEU 29 2HD2 LEU 29 -0.182 -7.361 5.176
218 3HD2 LEU 29 3HD2 LEU 29 0.159 -8.162 6.718
219 H SER 30 H SER 30 -0.786 -2.975 4.787
220 HA SER 30 HA SER 30 1.673 -2.655 6.302
221 1HB SER 30 1HB SER 30 2.522 -1.699 4.217
222 2HB SER 30 2HB SER 30 1.718 -3.257 3.942
223 HG SER 30 HG SER 30 -0.102 -2.131 3.236
224 H GLY 31 H GLY 31 -0.990 -0.545 5.329
225 1HA GLY 31 1HA GLY 31 -1.477 1.461 6.587
226 2HA GLY 31 2HA GLY 31 0.251 1.797 6.727
227 H CYS 32 H CYS 32 -0.259 0.562 3.618
228 HA CYS 32 HA CYS 32 0.061 3.203 2.421
229 1HB CYS 32 1HB CYS 32 -0.175 0.508 1.054
230 2HB CYS 32 2HB CYS 32 0.502 1.970 0.383
231 H LYS 33 H LYS 33 -1.222 3.839 0.539
232 HA LYS 33 HA LYS 33 -4.128 3.190 0.749
233 1HB LYS 33 1HB LYS 33 -2.805 5.557 -0.608
234 2HB LYS 33 2HB LYS 33 -4.518 5.344 -0.257
235 1HG LYS 33 1HG LYS 33 -2.274 5.861 1.748
236 2HG LYS 33 2HG LYS 33 -3.449 7.007 1.118
237 1HD LYS 33 1HD LYS 33 -4.386 6.596 3.125
238 2HD LYS 33 2HD LYS 33 -5.277 5.437 2.141
239 1HE LYS 33 1HE LYS 33 -4.240 3.614 3.165
240 2HE LYS 33 2HE LYS 33 -2.730 4.501 3.479
241 1HZ LYS 33 1HZ LYS 33 -5.224 4.908 4.945
242 2HZ LYS 33 2HZ LYS 33 -3.922 4.033 5.461
243 3HZ LYS 33 3HZ LYS 33 -3.775 5.654 5.220
244 H ILE 34 H ILE 34 -5.199 2.600 -1.151
245 HA ILE 34 HA ILE 34 -3.692 2.488 -3.730
246 HB ILE 34 HB ILE 34 -5.808 0.549 -2.712
247 1HG1 ILE 34 1HG1 ILE 34 -3.642 0.255 -1.577
248 2HG1 ILE 34 2HG1 ILE 34 -4.180 -1.129 -2.513
249 1HG2 ILE 34 1HG2 ILE 34 -4.235 0.620 -5.322
250 2HG2 ILE 34 2HG2 ILE 34 -5.214 -0.755 -4.764
251 3HG2 ILE 34 3HG2 ILE 34 -5.987 0.794 -5.119
252 1HD1 ILE 34 1HD1 ILE 34 -2.069 0.872 -3.440
253 2HD1 ILE 34 2HD1 ILE 34 -1.744 -0.708 -2.718
254 3HD1 ILE 34 3HD1 ILE 34 -2.556 -0.615 -4.288
255 H ILE 35 H ILE 35 -4.492 4.244 -4.771
256 HA ILE 35 HA ILE 35 -7.398 4.253 -5.281
257 HB ILE 35 HB ILE 35 -7.515 6.658 -5.281
258 1HG1 ILE 35 1HG1 ILE 35 -4.658 6.683 -4.201
259 2HG1 ILE 35 2HG1 ILE 35 -5.205 7.282 -5.778
260 1HG2 ILE 35 1HG2 ILE 35 -8.048 5.309 -3.226
261 2HG2 ILE 35 2HG2 ILE 35 -6.444 5.738 -2.585
262 3HG2 ILE 35 3HG2 ILE 35 -7.656 6.996 -2.901
263 1HD1 ILE 35 1HD1 ILE 35 -6.712 8.908 -4.590
264 2HD1 ILE 35 2HD1 ILE 35 -5.920 8.437 -3.064
265 3HD1 ILE 35 3HD1 ILE 35 -4.980 9.185 -4.355
266 H SER 36 H SER 36 -7.912 4.601 -7.384
267 HA SER 36 HA SER 36 -5.674 4.497 -9.329
268 1HB SER 36 1HB SER 36 -8.648 3.946 -9.656
269 2HB SER 36 2HB SER 36 -7.371 3.623 -10.849
270 HG SER 36 HG SER 36 -6.440 2.186 -9.325
271 H ALA 37 H ALA 37 -6.275 7.041 -8.035
272 HA ALA 37 HA ALA 37 -7.718 8.659 -10.032
273 1HB ALA 37 1HB ALA 37 -6.366 9.397 -7.410
274 2HB ALA 37 2HB ALA 37 -7.418 10.446 -8.384
275 3HB ALA 37 3HB ALA 37 -8.085 8.994 -7.614
276 H SER 38 H SER 38 -4.684 7.388 -10.075
277 HA SER 38 HA SER 38 -2.621 7.957 -10.711
278 1HB SER 38 1HB SER 38 -3.823 8.329 -12.821
279 2HB SER 38 2HB SER 38 -4.059 10.032 -12.394
280 HG SER 38 HG SER 38 -1.794 10.247 -12.359
281 H THR 39 H THR 39 -3.573 9.129 -8.258
282 HA THR 39 HA THR 39 -1.685 11.343 -7.864
283 HB THR 39 HB THR 39 -4.688 11.613 -7.350
284 HG1 THR 39 1HG THR 39 -2.999 12.750 -9.311
285 1HG2 THR 39 1HG2 THR 39 -4.098 14.023 -6.933
286 2HG2 THR 39 2HG2 THR 39 -3.492 12.930 -5.691
287 3HG2 THR 39 3HG2 THR 39 -2.383 13.569 -6.934
288 H CYS 40 H CYS 40 -1.501 11.806 -5.501
289 HA CYS 40 HA CYS 40 -2.810 9.981 -3.634
290 1HB CYS 40 1HB CYS 40 0.213 10.249 -3.883
291 2HB CYS 40 2HB CYS 40 -0.599 9.605 -2.457
292 HA PRO 41 HA PRO 41 -2.799 13.939 -1.538
293 1HB PRO 41 1HB PRO 41 -3.508 13.256 1.000
294 2HB PRO 41 2HB PRO 41 -4.622 13.057 -0.383
295 1HG PRO 41 1HG PRO 41 -2.815 10.951 0.833
296 2HG PRO 41 2HG PRO 41 -4.573 10.826 0.524
297 1HD PRO 41 1HD PRO 41 -2.757 9.847 -1.249
298 2HD PRO 41 2HD PRO 41 -4.237 10.674 -1.821
299 H SER 42 H SER 42 -1.714 15.118 0.218
300 HA SER 42 HA SER 42 1.105 14.499 0.379
301 1HB SER 42 1HB SER 42 0.257 16.773 0.029
302 2HB SER 42 2HB SER 42 -0.547 16.740 1.612
303 HG SER 42 HG SER 42 1.511 16.459 2.550
304 H ASP 43 H ASP 43 0.462 12.389 1.468
305 HA ASP 43 HA ASP 43 0.883 12.557 4.397
306 1HB ASP 43 1HB ASP 43 -1.458 11.161 3.041
307 2HB ASP 43 2HB ASP 43 -0.977 10.885 4.724
308 HD2 ASP 43 HD ASP 43 -2.073 14.084 5.802
309 H TYR 44 H TYR 44 0.929 10.717 1.349
310 HA TYR 44 HA TYR 44 2.596 8.592 2.638
311 1HB TYR 44 1HB TYR 44 0.560 8.346 0.405
312 2HB TYR 44 2HB TYR 44 1.536 7.053 1.094
313 HD1 TYR 44 1HD TYR 44 1.208 6.427 3.522
314 HD2 TYR 44 2HD TYR 44 -1.447 9.123 1.504
315 HE1 TYR 44 1HE TYR 44 -0.464 6.076 5.309
316 HE2 TYR 44 2HE TYR 44 -3.076 8.900 3.355
317 HH TYR 44 HH TYR 44 -3.513 7.962 5.422
318 HA PRO 45 HA PRO 45 4.825 10.741 -0.802
319 1HB PRO 45 1HB PRO 45 7.176 11.393 0.427
320 2HB PRO 45 2HB PRO 45 5.668 12.332 0.600
321 1HG PRO 45 1HG PRO 45 6.775 10.263 2.501
322 2HG PRO 45 2HG PRO 45 6.139 11.882 2.887
323 1HD PRO 45 1HD PRO 45 4.628 9.602 3.114
324 2HD PRO 45 2HD PRO 45 3.931 11.179 2.629
325 H LYS 46 H LYS 46 5.383 7.749 0.819
326 HA LYS 46 HA LYS 46 7.713 7.063 -0.927
327 1HB LYS 46 1HB LYS 46 6.625 5.822 1.625
328 2HB LYS 46 2HB LYS 46 7.760 5.005 0.557
329 1HG LYS 46 1HG LYS 46 8.960 5.993 2.361
330 2HG LYS 46 2HG LYS 46 9.427 6.773 0.849
331 1HD LYS 46 1HD LYS 46 8.281 8.757 1.349
332 2HD LYS 46 2HD LYS 46 7.258 7.992 2.580
333 1HE LYS 46 1HE LYS 46 10.267 8.426 2.880
334 2HE LYS 46 2HE LYS 46 9.027 9.555 3.453
335 1HZ LYS 46 1HZ LYS 46 9.436 6.813 4.375
336 2HZ LYS 46 2HZ LYS 46 9.615 8.203 5.236
337 3HZ LYS 46 3HZ LYS 46 8.113 7.711 4.760
Start of MODEL 9
1 1H LYS 1 1H LYS 1 -2.562 6.661 -8.169
2 2H LYS 1 2H LYS 1 -3.373 5.867 -6.976
3 3H LYS 1 3H LYS 1 -2.187 6.936 -6.583
4 HA LYS 1 HA LYS 1 -1.855 4.416 -8.042
5 1HB LYS 1 1HB LYS 1 0.340 6.216 -6.942
6 2HB LYS 1 2HB LYS 1 0.530 4.743 -7.888
7 1HG LYS 1 1HG LYS 1 0.818 6.149 -9.611
8 2HG LYS 1 2HG LYS 1 -0.935 6.087 -9.672
9 1HD LYS 1 1HD LYS 1 -0.391 8.392 -9.824
10 2HD LYS 1 2HD LYS 1 -0.922 8.179 -8.155
11 1HE LYS 1 1HE LYS 1 0.994 9.604 -8.153
12 2HE LYS 1 2HE LYS 1 1.499 8.065 -7.447
13 1HZ LYS 1 1HZ LYS 1 1.974 8.955 -10.210
14 2HZ LYS 1 2HZ LYS 1 3.087 8.897 -8.998
15 3HZ LYS 1 3HZ LYS 1 2.447 7.502 -9.590
16 H SER 2 H SER 2 -0.070 3.080 -6.702
17 HA SER 2 HA SER 2 -1.035 2.682 -3.976
18 1HB SER 2 1HB SER 2 0.685 0.933 -3.888
19 2HB SER 2 2HB SER 2 -0.345 0.759 -5.321
20 HG SER 2 HG SER 2 1.776 0.527 -5.947
21 H CYS 3 H CYS 3 -0.156 3.701 -2.208
22 HA CYS 3 HA CYS 3 2.514 4.991 -2.345
23 1HB CYS 3 1HB CYS 3 -0.134 6.430 -2.171
24 2HB CYS 3 2HB CYS 3 1.335 7.112 -1.472
25 H CYS 4 H CYS 4 3.534 4.864 -0.478
26 HA CYS 4 HA CYS 4 2.087 3.843 1.904
27 1HB CYS 4 1HB CYS 4 4.873 3.325 0.830
28 2HB CYS 4 2HB CYS 4 4.300 2.712 2.362
29 HA PRO 5 HA PRO 5 3.859 7.195 4.252
30 1HB PRO 5 1HB PRO 5 3.991 6.141 6.762
31 2HB PRO 5 2HB PRO 5 2.443 6.506 5.962
32 1HG PRO 5 1HG PRO 5 3.856 3.826 6.096
33 2HG PRO 5 2HG PRO 5 2.148 4.182 6.473
34 1HD PRO 5 1HD PRO 5 2.876 3.213 4.053
35 2HD PRO 5 2HD PRO 5 1.612 4.449 4.182
36 H ASN 6 H ASN 6 5.401 3.979 4.379
37 HA ASN 6 HA ASN 6 8.073 5.195 4.814
38 1HB ASN 6 1HB ASN 6 6.843 2.982 6.502
39 2HB ASN 6 2HB ASN 6 8.520 3.534 6.582
40 1HD2 ASN 6 2HD2 ASN 6 5.453 3.932 7.960
41 2HD2 ASN 6 1HD2 ASN 6 5.738 5.460 8.759
42 H THR 7 H THR 7 9.809 3.699 4.390
43 HA THR 7 HA THR 7 9.506 1.964 2.162
44 HB THR 7 HB THR 7 11.724 1.964 4.248
45 HG1 THR 7 1HG THR 7 12.645 3.545 2.877
46 1HG2 THR 7 1HG2 THR 7 13.138 1.312 2.326
47 2HG2 THR 7 2HG2 THR 7 11.854 0.120 2.581
48 3HG2 THR 7 3HG2 THR 7 11.715 1.305 1.262
49 H THR 8 H THR 8 9.357 1.463 5.692
50 HA THR 8 HA THR 8 9.268 -1.386 5.689
51 HB THR 8 HB THR 8 7.958 0.542 7.644
52 HG1 THR 8 1HG THR 8 10.173 0.972 7.396
53 1HG2 THR 8 1HG2 THR 8 8.958 -2.332 7.939
54 2HG2 THR 8 2HG2 THR 8 8.352 -1.311 9.257
55 3HG2 THR 8 3HG2 THR 8 7.256 -1.818 7.961
56 H GLY 9 H GLY 9 6.795 1.158 5.191
57 1HA GLY 9 1HA GLY 9 4.466 -0.469 5.133
58 2HA GLY 9 2HA GLY 9 4.703 1.071 4.292
59 H ARG 10 H ARG 10 6.680 0.633 2.491
60 HA ARG 10 HA ARG 10 5.465 -0.848 0.400
61 1HB ARG 10 1HB ARG 10 8.322 0.119 0.804
62 2HB ARG 10 2HB ARG 10 7.811 -0.722 -0.660
63 1HG ARG 10 1HG ARG 10 6.477 1.815 0.337
64 2HG ARG 10 2HG ARG 10 7.841 1.800 -0.784
65 1HD ARG 10 1HD ARG 10 6.592 0.513 -2.431
66 2HD ARG 10 2HD ARG 10 5.194 0.399 -1.355
67 HE ARG 10 HE ARG 10 5.853 3.146 -1.685
68 1HH1 ARG 10 1HH2 ARG 10 4.266 0.451 -3.372
69 2HH1 ARG 10 2HH2 ARG 10 3.395 1.504 -4.465
70 1HH2 ARG 10 1HH1 ARG 10 4.814 4.484 -3.218
71 2HH2 ARG 10 2HH1 ARG 10 3.684 3.791 -4.351
72 H ASN 11 H ASN 11 8.065 -1.806 2.680
73 HA ASN 11 HA ASN 11 8.614 -4.334 1.568
74 1HB ASN 11 1HB ASN 11 10.076 -3.415 3.212
75 2HB ASN 11 2HB ASN 11 8.784 -3.266 4.400
76 1HD2 ASN 11 2HD2 ASN 11 8.438 -4.904 5.828
77 2HD2 ASN 11 1HD2 ASN 11 9.205 -6.474 5.727
78 H ILE 12 H ILE 12 6.270 -3.557 4.246
79 HA ILE 12 HA ILE 12 5.363 -6.234 4.517
80 HB ILE 12 HB ILE 12 4.005 -3.603 5.181
81 1HG1 ILE 12 1HG1 ILE 12 5.405 -5.588 7.025
82 2HG1 ILE 12 2HG1 ILE 12 6.235 -4.208 6.321
83 1HG2 ILE 12 1HG2 ILE 12 2.319 -5.454 5.000
84 2HG2 ILE 12 2HG2 ILE 12 3.310 -6.443 6.084
85 3HG2 ILE 12 3HG2 ILE 12 2.532 -4.962 6.672
86 1HD1 ILE 12 1HD1 ILE 12 3.858 -4.044 8.207
87 2HD1 ILE 12 2HD1 ILE 12 5.540 -3.608 8.532
88 3HD1 ILE 12 3HD1 ILE 12 4.596 -2.659 7.367
89 H TYR 13 H TYR 13 4.019 -3.494 2.631
90 HA TYR 13 HA TYR 13 1.810 -4.709 1.478
91 1HB TYR 13 1HB TYR 13 2.253 -2.345 1.271
92 2HB TYR 13 2HB TYR 13 3.759 -2.640 0.415
93 HD1 TYR 13 1HD TYR 13 0.117 -3.550 0.050
94 HD2 TYR 13 2HD TYR 13 3.730 -2.218 -1.882
95 HE1 TYR 13 1HE TYR 13 -1.088 -3.417 -2.110
96 HE2 TYR 13 2HE TYR 13 2.525 -2.070 -4.035
97 HH TYR 13 HH TYR 13 0.532 -2.407 -5.145
98 H ASN 14 H ASN 14 5.158 -4.625 0.142
99 HA ASN 14 HA ASN 14 4.604 -6.219 -2.145
100 1HB ASN 14 1HB ASN 14 7.120 -5.369 -0.698
101 2HB ASN 14 2HB ASN 14 7.199 -6.609 -1.937
102 1HD2 ASN 14 2HD2 ASN 14 6.282 -3.196 -1.412
103 2HD2 ASN 14 1HD2 ASN 14 6.399 -2.760 -3.109
104 H THR 15 H THR 15 5.780 -7.162 1.136
105 HA THR 15 HA THR 15 6.254 -9.887 0.476
106 HB THR 15 HB THR 15 5.512 -8.625 3.150
107 HG1 THR 15 1HG THR 15 8.002 -9.175 1.903
108 1HG2 THR 15 1HG2 THR 15 6.843 -11.291 2.480
109 2HG2 THR 15 2HG2 THR 15 6.745 -10.575 4.102
110 3HG2 THR 15 3HG2 THR 15 5.263 -11.069 3.267
111 H CYS 16 H CYS 16 3.352 -8.219 1.745
112 HA CYS 16 HA CYS 16 1.701 -10.536 1.977
113 1HB CYS 16 1HB CYS 16 1.256 -8.542 3.198
114 2HB CYS 16 2HB CYS 16 1.149 -7.567 1.737
115 H ARG 17 H ARG 17 2.106 -8.126 -0.666
116 HA ARG 17 HA ARG 17 0.204 -9.207 -2.473
117 1HB ARG 17 1HB ARG 17 2.796 -7.664 -2.837
118 2HB ARG 17 2HB ARG 17 1.791 -8.114 -4.208
119 1HG ARG 17 1HG ARG 17 0.390 -6.695 -1.951
120 2HG ARG 17 2HG ARG 17 1.561 -5.763 -2.893
121 1HD ARG 17 1HD ARG 17 -0.650 -5.513 -3.855
122 2HD ARG 17 2HD ARG 17 0.461 -6.311 -4.968
123 HE ARG 17 HE ARG 17 -1.363 -7.951 -3.256
124 1HH1 ARG 17 1HH2 ARG 17 -0.606 -6.810 -6.557
125 2HH1 ARG 17 2HH2 ARG 17 -1.608 -8.022 -7.309
126 1HH2 ARG 17 1HH1 ARG 17 -2.630 -9.502 -4.277
127 2HH2 ARG 17 2HH1 ARG 17 -2.762 -9.558 -6.019
128 H PHE 18 H PHE 18 3.666 -9.951 -1.974
129 HA PHE 18 HA PHE 18 3.935 -11.821 -4.095
130 1HB PHE 18 1HB PHE 18 5.842 -10.746 -3.053
131 2HB PHE 18 2HB PHE 18 5.461 -11.466 -1.493
132 HD1 PHE 18 1HD PHE 18 6.279 -13.630 -0.904
133 HD2 PHE 18 2HD PHE 18 6.444 -12.318 -5.011
134 HE1 PHE 18 1HE PHE 18 7.586 -15.648 -1.501
135 HE2 PHE 18 2HE PHE 18 7.738 -14.350 -5.603
136 HZ PHE 18 HZ PHE 18 8.320 -16.012 -3.849
137 H ALA 19 H ALA 19 3.140 -12.249 -0.610
138 HA ALA 19 HA ALA 19 2.920 -15.068 -0.594
139 1HB ALA 19 1HB ALA 19 2.971 -13.687 1.441
140 2HB ALA 19 2HB ALA 19 1.376 -13.012 1.042
141 3HB ALA 19 3HB ALA 19 1.540 -14.740 1.409
142 H GLY 20 H GLY 20 0.500 -12.532 -1.322
143 1HA GLY 20 1HA GLY 20 -0.728 -13.001 -3.409
144 2HA GLY 20 2HA GLY 20 -1.196 -14.565 -2.738
145 H GLY 21 H GLY 21 -1.084 -11.411 -1.014
146 1HA GLY 21 1HA GLY 21 -3.977 -11.616 -0.413
147 2HA GLY 21 2HA GLY 21 -2.802 -10.538 0.341
148 H SER 22 H SER 22 -5.386 -9.808 -0.826
149 HA SER 22 HA SER 22 -5.122 -8.737 -3.449
150 1HB SER 22 1HB SER 22 -7.005 -7.890 -1.209
151 2HB SER 22 2HB SER 22 -7.206 -7.562 -2.937
152 HG SER 22 HG SER 22 -7.135 -10.128 -1.724
153 H ARG 23 H ARG 23 -5.014 -6.506 -4.097
154 HA ARG 23 HA ARG 23 -2.807 -5.129 -3.080
155 1HB ARG 23 1HB ARG 23 -5.149 -4.082 -4.731
156 2HB ARG 23 2HB ARG 23 -3.619 -3.228 -4.474
157 1HG ARG 23 1HG ARG 23 -2.370 -5.060 -5.534
158 2HG ARG 23 2HG ARG 23 -3.870 -5.961 -5.823
159 1HD ARG 23 1HD ARG 23 -3.233 -3.191 -6.910
160 2HD ARG 23 2HD ARG 23 -3.049 -4.711 -7.812
161 HE ARG 23 HE ARG 23 -5.684 -4.677 -6.870
162 1HH1 ARG 23 1HH2 ARG 23 -3.693 -2.749 -9.094
163 2HH1 ARG 23 2HH2 ARG 23 -5.043 -2.283 -10.095
164 1HH2 ARG 23 1HH1 ARG 23 -7.435 -4.078 -8.201
165 2HH2 ARG 23 2HH1 ARG 23 -7.181 -3.046 -9.586
166 H GLU 24 H GLU 24 -6.265 -4.271 -2.693
167 HA GLU 24 HA GLU 24 -5.943 -2.087 -0.949
168 1HB GLU 24 1HB GLU 24 -8.202 -4.116 -1.224
169 2HB GLU 24 2HB GLU 24 -8.309 -2.622 -0.274
170 1HG GLU 24 1HG GLU 24 -7.820 -1.282 -2.300
171 2HG GLU 24 2HG GLU 24 -7.782 -2.763 -3.277
172 HE2 GLU 24 HE GLU 24 -9.451 -0.686 -3.783
173 H ARG 25 H ARG 25 -6.390 -5.579 -0.163
174 HA ARG 25 HA ARG 25 -6.622 -5.199 2.609
175 1HB ARG 25 1HB ARG 25 -7.251 -7.210 1.215
176 2HB ARG 25 2HB ARG 25 -5.550 -7.694 1.207
177 1HG ARG 25 1HG ARG 25 -5.553 -7.890 3.655
178 2HG ARG 25 2HG ARG 25 -7.153 -7.133 3.744
179 1HD ARG 25 1HD ARG 25 -7.472 -9.466 4.051
180 2HD ARG 25 2HD ARG 25 -8.126 -9.022 2.466
181 HE ARG 25 HE ARG 25 -5.350 -9.986 2.459
182 1HH1 ARG 25 1HH2 ARG 25 -8.758 -10.986 2.249
183 2HH1 ARG 25 2HH2 ARG 25 -8.388 -12.519 1.507
184 1HH2 ARG 25 1HH1 ARG 25 -4.886 -12.028 1.542
185 2HH2 ARG 25 2HH1 ARG 25 -6.179 -13.110 1.098
186 H CYS 26 H CYS 26 -3.786 -6.178 0.657
187 HA CYS 26 HA CYS 26 -1.867 -6.235 2.744
188 1HB CYS 26 1HB CYS 26 -1.605 -5.656 -0.241
189 2HB CYS 26 2HB CYS 26 -0.248 -5.948 0.841
190 H ALA 27 H ALA 27 -2.947 -3.574 0.604
191 HA ALA 27 HA ALA 27 -1.000 -1.688 1.428
192 1HB ALA 27 1HB ALA 27 -3.808 -1.249 0.347
193 2HB ALA 27 2HB ALA 27 -2.514 -0.037 0.407
194 3HB ALA 27 3HB ALA 27 -2.316 -1.470 -0.602
195 H LYS 28 H LYS 28 -4.415 -2.183 2.591
196 HA LYS 28 HA LYS 28 -4.425 -0.251 4.596
197 1HB LYS 28 1HB LYS 28 -6.326 -1.513 3.656
198 2HB LYS 28 2HB LYS 28 -5.796 -2.980 4.488
199 1HG LYS 28 1HG LYS 28 -6.082 -1.886 6.664
200 2HG LYS 28 2HG LYS 28 -6.495 -0.357 5.855
201 1HD LYS 28 1HD LYS 28 -8.483 -1.443 4.834
202 2HD LYS 28 2HD LYS 28 -8.072 -2.964 5.660
203 1HE LYS 28 1HE LYS 28 -8.327 -1.829 7.856
204 2HE LYS 28 2HE LYS 28 -8.721 -0.308 7.030
205 1HZ LYS 28 1HZ LYS 28 -10.277 -2.791 6.845
206 2HZ LYS 28 2HZ LYS 28 -10.664 -1.481 7.766
207 3HZ LYS 28 3HZ LYS 28 -10.652 -1.356 6.123
208 H LEU 29 H LEU 29 -3.596 -3.732 4.786
209 HA LEU 29 HA LEU 29 -3.010 -3.939 7.497
210 1HB LEU 29 1HB LEU 29 -3.205 -5.833 5.896
211 2HB LEU 29 2HB LEU 29 -1.686 -5.339 5.144
212 HG LEU 29 HG LEU 29 -0.534 -5.771 7.379
213 1HD1 LEU 29 1HD1 LEU 29 -3.199 -7.118 8.020
214 2HD1 LEU 29 2HD1 LEU 29 -1.706 -7.248 8.971
215 3HD1 LEU 29 3HD1 LEU 29 -2.540 -5.695 8.856
216 1HD2 LEU 29 1HD2 LEU 29 -0.385 -7.337 5.525
217 2HD2 LEU 29 2HD2 LEU 29 -0.552 -8.231 7.046
218 3HD2 LEU 29 3HD2 LEU 29 -1.949 -8.059 5.960
219 H SER 30 H SER 30 -0.905 -2.859 4.825
220 HA SER 30 HA SER 30 1.469 -2.675 6.520
221 1HB SER 30 1HB SER 30 2.526 -1.775 4.498
222 2HB SER 30 2HB SER 30 1.709 -3.322 4.202
223 HG SER 30 HG SER 30 0.021 -2.219 3.254
224 H GLY 31 H GLY 31 -0.979 -0.460 5.257
225 1HA GLY 31 1HA GLY 31 -1.495 1.531 6.583
226 2HA GLY 31 2HA GLY 31 0.235 1.858 6.721
227 H CYS 32 H CYS 32 -0.310 0.613 3.625
228 HA CYS 32 HA CYS 32 0.033 3.238 2.394
229 1HB CYS 32 1HB CYS 32 -0.230 0.517 1.082
230 2HB CYS 32 2HB CYS 32 0.497 1.949 0.382
231 H LYS 33 H LYS 33 -1.292 3.950 0.597
232 HA LYS 33 HA LYS 33 -4.155 3.081 0.699
233 1HB LYS 33 1HB LYS 33 -3.045 5.602 -0.554
234 2HB LYS 33 2HB LYS 33 -4.727 5.216 -0.193
235 1HG LYS 33 1HG LYS 33 -2.522 5.818 1.821
236 2HG LYS 33 2HG LYS 33 -3.759 6.922 1.232
237 1HD LYS 33 1HD LYS 33 -4.678 6.383 3.208
238 2HD LYS 33 2HD LYS 33 -5.493 5.198 2.188
239 1HE LYS 33 1HE LYS 33 -4.332 3.415 3.162
240 2HE LYS 33 2HE LYS 33 -2.890 4.399 3.508
241 1HZ LYS 33 1HZ LYS 33 -4.065 5.458 5.247
242 2HZ LYS 33 2HZ LYS 33 -5.406 4.528 4.979
243 3HZ LYS 33 3HZ LYS 33 -3.995 3.830 5.480
244 H ILE 34 H ILE 34 -5.050 2.277 -1.152
245 HA ILE 34 HA ILE 34 -3.609 2.533 -3.763
246 HB ILE 34 HB ILE 34 -5.846 0.614 -2.994
247 1HG1 ILE 34 1HG1 ILE 34 -3.909 -0.085 -1.779
248 2HG1 ILE 34 2HG1 ILE 34 -4.287 -1.205 -3.074
249 1HG2 ILE 34 1HG2 ILE 34 -4.159 0.860 -5.516
250 2HG2 ILE 34 2HG2 ILE 34 -5.277 -0.475 -5.159
251 3HG2 ILE 34 3HG2 ILE 34 -5.894 1.167 -5.353
252 1HD1 ILE 34 1HD1 ILE 34 -2.033 0.839 -3.052
253 2HD1 ILE 34 2HD1 ILE 34 -1.883 -0.918 -2.944
254 3HD1 ILE 34 3HD1 ILE 34 -2.437 -0.183 -4.454
255 H ILE 35 H ILE 35 -4.488 4.251 -4.880
256 HA ILE 35 HA ILE 35 -7.436 4.368 -5.018
257 HB ILE 35 HB ILE 35 -7.450 6.796 -5.063
258 1HG1 ILE 35 1HG1 ILE 35 -4.519 6.651 -4.210
259 2HG1 ILE 35 2HG1 ILE 35 -5.160 7.306 -5.728
260 1HG2 ILE 35 1HG2 ILE 35 -6.237 5.793 -2.459
261 2HG2 ILE 35 2HG2 ILE 35 -7.399 7.118 -2.675
262 3HG2 ILE 35 3HG2 ILE 35 -7.903 5.461 -2.983
263 1HD1 ILE 35 1HD1 ILE 35 -5.601 8.439 -2.942
264 2HD1 ILE 35 2HD1 ILE 35 -4.692 9.159 -4.269
265 3HD1 ILE 35 3HD1 ILE 35 -6.451 9.005 -4.404
266 H SER 36 H SER 36 -8.234 4.666 -6.998
267 HA SER 36 HA SER 36 -6.335 4.407 -9.251
268 1HB SER 36 1HB SER 36 -9.353 4.044 -9.086
269 2HB SER 36 2HB SER 36 -8.325 3.665 -10.482
270 HG SER 36 HG SER 36 -8.172 2.490 -7.907
271 H ALA 37 H ALA 37 -6.575 7.005 -7.945
272 HA ALA 37 HA ALA 37 -7.999 8.699 -9.930
273 1HB ALA 37 1HB ALA 37 -8.412 9.058 -7.512
274 2HB ALA 37 2HB ALA 37 -6.680 9.375 -7.274
275 3HB ALA 37 3HB ALA 37 -7.658 10.466 -8.281
276 H SER 38 H SER 38 -5.133 7.196 -9.985
277 HA SER 38 HA SER 38 -2.988 7.587 -10.517
278 1HB SER 38 1HB SER 38 -4.141 7.887 -12.668
279 2HB SER 38 2HB SER 38 -4.263 9.631 -12.367
280 HG SER 38 HG SER 38 -1.968 9.660 -12.275
281 H THR 39 H THR 39 -3.793 8.939 -8.168
282 HA THR 39 HA THR 39 -1.830 11.142 -8.008
283 HB THR 39 HB THR 39 -4.767 11.309 -7.156
284 HG1 THR 39 1HG THR 39 -4.584 11.594 -9.350
285 1HG2 THR 39 1HG2 THR 39 -4.223 13.739 -6.778
286 2HG2 THR 39 2HG2 THR 39 -3.465 12.660 -5.609
287 3HG2 THR 39 3HG2 THR 39 -2.500 13.344 -6.947
288 H CYS 40 H CYS 40 -1.403 11.631 -5.673
289 HA CYS 40 HA CYS 40 -2.418 9.736 -3.695
290 1HB CYS 40 1HB CYS 40 0.554 10.190 -4.175
291 2HB CYS 40 2HB CYS 40 -0.137 9.466 -2.720
292 HA PRO 41 HA PRO 41 -2.477 13.742 -1.729
293 1HB PRO 41 1HB PRO 41 -3.296 13.141 0.773
294 2HB PRO 41 2HB PRO 41 -4.324 12.774 -0.640
295 1HG PRO 41 1HG PRO 41 -2.404 10.883 0.755
296 2HG PRO 41 2HG PRO 41 -4.143 10.612 0.438
297 1HD PRO 41 1HD PRO 41 -2.228 9.672 -1.261
298 2HD PRO 41 2HD PRO 41 -3.762 10.345 -1.887
299 H SER 42 H SER 42 -1.497 14.974 0.064
300 HA SER 42 HA SER 42 1.321 14.383 0.387
301 1HB SER 42 1HB SER 42 0.401 16.650 -0.059
302 2HB SER 42 2HB SER 42 -0.350 16.646 1.549
303 HG SER 42 HG SER 42 2.421 16.407 0.944
304 H ASP 43 H ASP 43 0.726 12.311 1.449
305 HA ASP 43 HA ASP 43 0.909 12.476 4.394
306 1HB ASP 43 1HB ASP 43 -1.293 10.977 2.909
307 2HB ASP 43 2HB ASP 43 -0.926 10.784 4.628
308 HD2 ASP 43 HD ASP 43 -2.180 14.011 5.481
309 H TYR 44 H TYR 44 0.938 10.567 1.374
310 HA TYR 44 HA TYR 44 2.657 8.490 2.661
311 1HB TYR 44 1HB TYR 44 0.561 8.201 0.492
312 2HB TYR 44 2HB TYR 44 1.542 6.923 1.206
313 HD1 TYR 44 1HD TYR 44 1.386 6.700 3.823
314 HD2 TYR 44 2HD TYR 44 -1.553 8.746 1.458
315 HE1 TYR 44 1HE TYR 44 -0.291 6.274 5.586
316 HE2 TYR 44 2HE TYR 44 -3.204 8.472 3.285
317 HH TYR 44 HH TYR 44 -2.438 6.697 6.298
318 HA PRO 45 HA PRO 45 4.777 10.685 -0.768
319 1HB PRO 45 1HB PRO 45 7.199 11.211 0.349
320 2HB PRO 45 2HB PRO 45 5.714 12.102 0.791
321 1HG PRO 45 1HG PRO 45 6.927 9.728 2.217
322 2HG PRO 45 2HG PRO 45 6.451 11.294 2.938
323 1HD PRO 45 1HD PRO 45 4.810 9.129 3.008
324 2HD PRO 45 2HD PRO 45 4.158 10.774 2.734
325 H LYS 46 H LYS 46 5.518 7.556 0.560
326 HA LYS 46 HA LYS 46 7.517 7.044 -1.621
327 1HB LYS 46 1HB LYS 46 6.984 5.614 1.000
328 2HB LYS 46 2HB LYS 46 7.723 4.816 -0.376
329 1HG LYS 46 1HG LYS 46 9.532 5.520 0.894
330 2HG LYS 46 2HG LYS 46 9.483 6.553 -0.529
331 1HD LYS 46 1HD LYS 46 10.050 7.801 1.485
332 2HD LYS 46 2HD LYS 46 8.525 8.401 0.823
333 1HE LYS 46 1HE LYS 46 7.232 7.256 2.502
334 2HE LYS 46 2HE LYS 46 8.615 6.240 2.961
335 1HZ LYS 46 1HZ LYS 46 9.650 8.121 3.922
336 2HZ LYS 46 2HZ LYS 46 8.435 9.125 3.437
337 3HZ LYS 46 3HZ LYS 46 8.127 7.939 4.540
Start of MODEL 10
1 1H LYS 1 1H LYS 1 -3.100 4.272 -8.946
2 2H LYS 1 2H LYS 1 -3.277 3.301 -7.625
3 3H LYS 1 3H LYS 1 -3.335 4.932 -7.453
4 HA LYS 1 HA LYS 1 -1.042 3.345 -8.297
5 1HB LYS 1 1HB LYS 1 -1.319 5.725 -9.251
6 2HB LYS 1 2HB LYS 1 -0.991 6.301 -7.609
7 1HG LYS 1 1HG LYS 1 1.210 5.040 -7.688
8 2HG LYS 1 2HG LYS 1 0.789 4.488 -9.311
9 1HD LYS 1 1HD LYS 1 2.232 6.311 -9.700
10 2HD LYS 1 2HD LYS 1 0.612 6.916 -10.033
11 1HE LYS 1 1HE LYS 1 1.886 8.572 -8.782
12 2HE LYS 1 2HE LYS 1 0.555 7.997 -7.776
13 1HZ LYS 1 1HZ LYS 1 3.337 7.050 -7.620
14 2HZ LYS 1 2HZ LYS 1 2.647 8.146 -6.601
15 3HZ LYS 1 3HZ LYS 1 2.105 6.594 -6.626
16 H SER 2 H SER 2 0.427 2.771 -6.692
17 HA SER 2 HA SER 2 -0.635 2.778 -3.985
18 1HB SER 2 1HB SER 2 1.250 1.205 -3.581
19 2HB SER 2 2HB SER 2 0.292 0.718 -4.991
20 HG SER 2 HG SER 2 2.478 2.411 -5.406
21 H CYS 3 H CYS 3 0.150 3.881 -2.236
22 HA CYS 3 HA CYS 3 2.769 5.251 -2.337
23 1HB CYS 3 1HB CYS 3 0.087 6.614 -2.228
24 2HB CYS 3 2HB CYS 3 1.510 7.308 -1.467
25 H CYS 4 H CYS 4 3.764 5.119 -0.448
26 HA CYS 4 HA CYS 4 2.265 4.032 1.882
27 1HB CYS 4 1HB CYS 4 5.041 3.506 0.780
28 2HB CYS 4 2HB CYS 4 4.593 3.042 2.409
29 HA PRO 5 HA PRO 5 3.996 7.363 4.326
30 1HB PRO 5 1HB PRO 5 4.187 6.181 6.797
31 2HB PRO 5 2HB PRO 5 2.628 6.610 6.052
32 1HG PRO 5 1HG PRO 5 3.975 3.895 6.030
33 2HG PRO 5 2HG PRO 5 2.285 4.287 6.455
34 1HD PRO 5 1HD PRO 5 2.957 3.411 3.991
35 2HD PRO 5 2HD PRO 5 1.734 4.681 4.194
36 H ASN 6 H ASN 6 5.544 4.109 4.405
37 HA ASN 6 HA ASN 6 8.218 5.266 4.399
38 1HB ASN 6 1HB ASN 6 8.890 4.186 6.533
39 2HB ASN 6 2HB ASN 6 7.737 5.496 6.755
40 1HD2 ASN 6 2HD2 ASN 6 5.852 5.079 7.852
41 2HD2 ASN 6 1HD2 ASN 6 5.289 3.487 8.304
42 H THR 7 H THR 7 9.881 3.555 4.603
43 HA THR 7 HA THR 7 9.563 1.718 2.526
44 HB THR 7 HB THR 7 11.721 1.743 4.673
45 HG1 THR 7 1HG THR 7 12.708 3.242 3.240
46 1HG2 THR 7 1HG2 THR 7 13.164 1.001 2.780
47 2HG2 THR 7 2HG2 THR 7 11.879 -0.172 3.104
48 3HG2 THR 7 3HG2 THR 7 11.738 0.938 1.723
49 H THR 8 H THR 8 9.244 1.251 6.074
50 HA THR 8 HA THR 8 9.272 -1.625 5.943
51 HB THR 8 HB THR 8 7.961 0.115 8.065
52 HG1 THR 8 1HG THR 8 10.135 0.657 7.812
53 1HG2 THR 8 1HG2 THR 8 8.483 -1.864 9.499
54 2HG2 THR 8 2HG2 THR 8 7.329 -2.259 8.216
55 3HG2 THR 8 3HG2 THR 8 9.028 -2.749 8.063
56 H GLY 9 H GLY 9 6.761 0.898 5.666
57 1HA GLY 9 1HA GLY 9 4.449 -0.692 5.408
58 2HA GLY 9 2HA GLY 9 4.740 0.864 4.612
59 H ARG 10 H ARG 10 6.730 0.465 2.828
60 HA ARG 10 HA ARG 10 5.574 -0.983 0.700
61 1HB ARG 10 1HB ARG 10 8.440 -0.094 1.191
62 2HB ARG 10 2HB ARG 10 7.946 -0.894 -0.298
63 1HG ARG 10 1HG ARG 10 6.621 1.644 0.712
64 2HG ARG 10 2HG ARG 10 8.024 1.632 -0.360
65 1HD ARG 10 1HD ARG 10 6.830 0.412 -2.083
66 2HD ARG 10 2HD ARG 10 5.390 0.256 -1.061
67 HE ARG 10 HE ARG 10 6.189 2.999 -1.329
68 1HH1 ARG 10 1HH2 ARG 10 4.517 0.429 -3.130
69 2HH1 ARG 10 2HH2 ARG 10 3.636 1.548 -4.139
70 1HH2 ARG 10 1HH1 ARG 10 5.010 4.425 -2.558
71 2HH2 ARG 10 2HH1 ARG 10 3.913 3.870 -3.804
72 H ASN 11 H ASN 11 8.118 -2.050 3.006
73 HA ASN 11 HA ASN 11 8.624 -4.553 1.807
74 1HB ASN 11 1HB ASN 11 10.095 -3.713 3.489
75 2HB ASN 11 2HB ASN 11 8.803 -3.598 4.683
76 1HD2 ASN 11 2HD2 ASN 11 8.294 -5.355 5.950
77 2HD2 ASN 11 1HD2 ASN 11 9.094 -6.905 5.811
78 H ILE 12 H ILE 12 6.246 -3.758 4.433
79 HA ILE 12 HA ILE 12 5.231 -6.400 4.674
80 HB ILE 12 HB ILE 12 3.973 -3.703 5.284
81 1HG1 ILE 12 1HG1 ILE 12 5.138 -5.745 7.219
82 2HG1 ILE 12 2HG1 ILE 12 6.139 -4.489 6.506
83 1HG2 ILE 12 1HG2 ILE 12 2.185 -5.410 5.049
84 2HG2 ILE 12 2HG2 ILE 12 3.086 -6.514 6.102
85 3HG2 ILE 12 3HG2 ILE 12 2.401 -5.014 6.748
86 1HD1 ILE 12 1HD1 ILE 12 4.674 -2.730 7.425
87 2HD1 ILE 12 2HD1 ILE 12 3.689 -3.972 8.233
88 3HD1 ILE 12 3HD1 ILE 12 5.388 -3.761 8.680
89 H TYR 13 H TYR 13 4.123 -3.615 2.720
90 HA TYR 13 HA TYR 13 1.857 -4.726 1.540
91 1HB TYR 13 1HB TYR 13 2.414 -2.364 1.419
92 2HB TYR 13 2HB TYR 13 3.883 -2.707 0.520
93 HD1 TYR 13 1HD TYR 13 0.201 -3.431 0.236
94 HD2 TYR 13 2HD TYR 13 3.810 -2.198 -1.765
95 HE1 TYR 13 1HE TYR 13 -1.073 -3.104 -1.861
96 HE2 TYR 13 2HE TYR 13 2.521 -1.797 -3.841
97 HH TYR 13 HH TYR 13 -1.020 -2.342 -4.010
98 H ASN 14 H ASN 14 5.229 -4.723 0.291
99 HA ASN 14 HA ASN 14 4.679 -6.185 -2.086
100 1HB ASN 14 1HB ASN 14 7.189 -5.494 -0.537
101 2HB ASN 14 2HB ASN 14 7.253 -6.658 -1.851
102 1HD2 ASN 14 2HD2 ASN 14 6.245 -3.283 -1.147
103 2HD2 ASN 14 1HD2 ASN 14 6.500 -2.723 -2.791
104 H THR 15 H THR 15 5.810 -7.288 1.164
105 HA THR 15 HA THR 15 6.165 -10.007 0.417
106 HB THR 15 HB THR 15 5.478 -8.785 3.124
107 HG1 THR 15 1HG THR 15 7.938 -9.463 1.883
108 1HG2 THR 15 1HG2 THR 15 6.605 -10.836 4.020
109 2HG2 THR 15 2HG2 THR 15 5.081 -11.202 3.199
110 3HG2 THR 15 3HG2 THR 15 6.629 -11.515 2.379
111 H CYS 16 H CYS 16 3.333 -8.267 1.756
112 HA CYS 16 HA CYS 16 1.585 -10.500 1.934
113 1HB CYS 16 1HB CYS 16 1.200 -8.495 3.150
114 2HB CYS 16 2HB CYS 16 1.150 -7.510 1.692
115 H ARG 17 H ARG 17 2.073 -8.083 -0.683
116 HA ARG 17 HA ARG 17 0.153 -9.072 -2.503
117 1HB ARG 17 1HB ARG 17 2.807 -7.633 -2.849
118 2HB ARG 17 2HB ARG 17 1.783 -8.017 -4.227
119 1HG ARG 17 1HG ARG 17 0.463 -6.574 -1.934
120 2HG ARG 17 2HG ARG 17 1.651 -5.676 -2.889
121 1HD ARG 17 1HD ARG 17 -0.589 -5.362 -3.784
122 2HD ARG 17 2HD ARG 17 0.489 -6.126 -4.940
123 HE ARG 17 HE ARG 17 -1.459 -7.677 -3.238
124 1HH1 ARG 17 1HH2 ARG 17 -0.111 -7.085 -6.501
125 2HH1 ARG 17 2HH2 ARG 17 -1.017 -8.394 -7.206
126 1HH2 ARG 17 1HH1 ARG 17 -2.583 -9.361 -4.209
127 2HH2 ARG 17 2HH1 ARG 17 -2.439 -9.672 -5.921
128 H PHE 18 H PHE 18 3.607 -9.916 -2.092
129 HA PHE 18 HA PHE 18 3.780 -11.766 -4.232
130 1HB PHE 18 1HB PHE 18 5.720 -10.736 -3.175
131 2HB PHE 18 2HB PHE 18 5.354 -11.521 -1.643
132 HD1 PHE 18 1HD PHE 18 6.254 -13.677 -1.157
133 HD2 PHE 18 2HD PHE 18 6.181 -12.262 -5.232
134 HE1 PHE 18 1HE PHE 18 7.607 -15.629 -1.864
135 HE2 PHE 18 2HE PHE 18 7.524 -14.228 -5.933
136 HZ PHE 18 HZ PHE 18 8.245 -15.908 -4.250
137 H ALA 19 H ALA 19 2.992 -12.220 -0.751
138 HA ALA 19 HA ALA 19 2.752 -15.037 -0.773
139 1HB ALA 19 1HB ALA 19 2.838 -13.682 1.280
140 2HB ALA 19 2HB ALA 19 1.235 -13.006 0.917
141 3HB ALA 19 3HB ALA 19 1.412 -14.739 1.251
142 H GLY 20 H GLY 20 0.356 -12.461 -1.508
143 1HA GLY 20 1HA GLY 20 -0.879 -13.333 -3.623
144 2HA GLY 20 2HA GLY 20 -1.594 -14.491 -2.494
145 H GLY 21 H GLY 21 -1.241 -11.812 -0.575
146 1HA GLY 21 1HA GLY 21 -4.030 -11.418 -0.421
147 2HA GLY 21 2HA GLY 21 -2.790 -10.408 0.327
148 H SER 22 H SER 22 -5.385 -9.720 -1.080
149 HA SER 22 HA SER 22 -4.944 -8.603 -3.620
150 1HB SER 22 1HB SER 22 -6.903 -7.656 -1.493
151 2HB SER 22 2HB SER 22 -7.052 -7.461 -3.250
152 HG SER 22 HG SER 22 -8.261 -9.237 -2.478
153 H ARG 23 H ARG 23 -4.825 -6.341 -4.258
154 HA ARG 23 HA ARG 23 -2.678 -4.977 -3.097
155 1HB ARG 23 1HB ARG 23 -4.881 -3.747 -4.809
156 2HB ARG 23 2HB ARG 23 -3.270 -3.092 -4.497
157 1HG ARG 23 1HG ARG 23 -2.400 -5.347 -5.533
158 2HG ARG 23 2HG ARG 23 -4.060 -5.527 -6.126
159 1HD ARG 23 1HD ARG 23 -2.977 -4.433 -7.910
160 2HD ARG 23 2HD ARG 23 -3.779 -3.122 -7.063
161 HE ARG 23 HE ARG 23 -1.742 -2.311 -6.252
162 1HH1 ARG 23 1HH2 ARG 23 -1.182 -5.260 -8.177
163 2HH1 ARG 23 2HH2 ARG 23 0.540 -5.003 -8.263
164 1HH2 ARG 23 1HH1 ARG 23 0.520 -2.088 -6.277
165 2HH2 ARG 23 2HH1 ARG 23 1.508 -3.184 -7.212
166 H GLU 24 H GLU 24 -6.170 -4.101 -2.846
167 HA GLU 24 HA GLU 24 -5.885 -1.953 -1.097
168 1HB GLU 24 1HB GLU 24 -7.894 -2.652 -2.399
169 2HB GLU 24 2HB GLU 24 -8.192 -3.955 -1.248
170 1HG GLU 24 1HG GLU 24 -8.014 -0.986 -0.553
171 2HG GLU 24 2HG GLU 24 -9.519 -1.838 -0.923
172 HE2 GLU 24 HE GLU 24 -8.063 -0.616 1.540
173 H ARG 25 H ARG 25 -6.481 -5.416 -0.329
174 HA ARG 25 HA ARG 25 -6.701 -5.175 2.435
175 1HB ARG 25 1HB ARG 25 -7.284 -7.119 0.993
176 2HB ARG 25 2HB ARG 25 -5.575 -7.537 0.856
177 1HG ARG 25 1HG ARG 25 -5.402 -7.906 3.258
178 2HG ARG 25 2HG ARG 25 -7.052 -7.312 3.521
179 1HD ARG 25 1HD ARG 25 -6.324 -9.774 1.871
180 2HD ARG 25 2HD ARG 25 -6.879 -9.785 3.559
181 HE ARG 25 HE ARG 25 -8.752 -8.328 2.001
182 1HH1 ARG 25 1HH2 ARG 25 -7.662 -11.675 2.472
183 2HH1 ARG 25 2HH2 ARG 25 -9.206 -12.368 2.050
184 1HH2 ARG 25 1HH1 ARG 25 -10.768 -9.252 1.440
185 2HH2 ARG 25 2HH1 ARG 25 -10.977 -10.984 1.460
186 H CYS 26 H CYS 26 -3.801 -5.984 0.503
187 HA CYS 26 HA CYS 26 -1.948 -6.102 2.654
188 1HB CYS 26 1HB CYS 26 -1.570 -5.479 -0.302
189 2HB CYS 26 2HB CYS 26 -0.260 -5.790 0.836
190 H ALA 27 H ALA 27 -3.021 -3.366 0.592
191 HA ALA 27 HA ALA 27 -1.113 -1.479 1.521
192 1HB ALA 27 1HB ALA 27 -3.943 -0.971 0.537
193 2HB ALA 27 2HB ALA 27 -2.603 0.190 0.608
194 3HB ALA 27 3HB ALA 27 -2.497 -1.207 -0.472
195 H LYS 28 H LYS 28 -4.460 -2.235 2.677
196 HA LYS 28 HA LYS 28 -4.555 -0.453 4.823
197 1HB LYS 28 1HB LYS 28 -6.270 -2.112 3.691
198 2HB LYS 28 2HB LYS 28 -5.790 -3.227 4.963
199 1HG LYS 28 1HG LYS 28 -6.870 -0.394 5.356
200 2HG LYS 28 2HG LYS 28 -7.820 -1.883 5.426
201 1HD LYS 28 1HD LYS 28 -6.474 -2.674 7.364
202 2HD LYS 28 2HD LYS 28 -5.529 -1.166 7.313
203 1HE LYS 28 1HE LYS 28 -7.580 0.156 7.694
204 2HE LYS 28 2HE LYS 28 -8.520 -1.347 7.811
205 1HZ LYS 28 1HZ LYS 28 -6.311 -0.540 9.574
206 2HZ LYS 28 2HZ LYS 28 -7.915 -0.531 9.953
207 3HZ LYS 28 3HZ LYS 28 -7.140 -1.960 9.680
208 H LEU 29 H LEU 29 -3.602 -3.911 4.814
209 HA LEU 29 HA LEU 29 -2.874 -4.247 7.461
210 1HB LEU 29 1HB LEU 29 -3.112 -6.048 5.810
211 2HB LEU 29 2HB LEU 29 -1.698 -5.458 4.935
212 HG LEU 29 HG LEU 29 -0.254 -5.999 6.899
213 1HD1 LEU 29 1HD1 LEU 29 -2.846 -7.171 8.015
214 2HD1 LEU 29 2HD1 LEU 29 -1.224 -7.518 8.649
215 3HD1 LEU 29 3HD1 LEU 29 -1.867 -5.875 8.739
216 1HD2 LEU 29 1HD2 LEU 29 -0.566 -7.572 5.018
217 2HD2 LEU 29 2HD2 LEU 29 -0.290 -8.410 6.554
218 3HD2 LEU 29 3HD2 LEU 29 -1.930 -8.323 5.876
219 H SER 30 H SER 30 -0.871 -2.991 4.777
220 HA SER 30 HA SER 30 1.546 -2.810 6.406
221 1HB SER 30 1HB SER 30 2.493 -1.759 4.419
222 2HB SER 30 2HB SER 30 1.700 -3.298 4.026
223 HG SER 30 HG SER 30 -0.076 -2.117 3.283
224 H GLY 31 H GLY 31 -1.079 -0.656 5.486
225 1HA GLY 31 1HA GLY 31 -1.657 1.332 6.582
226 2HA GLY 31 2HA GLY 31 -0.005 1.537 7.178
227 H CYS 32 H CYS 32 -0.523 0.605 3.822
228 HA CYS 32 HA CYS 32 0.227 3.305 2.828
229 1HB CYS 32 1HB CYS 32 0.095 0.656 1.351
230 2HB CYS 32 2HB CYS 32 0.766 2.165 0.769
231 H LYS 33 H LYS 33 -0.926 3.986 0.854
232 HA LYS 33 HA LYS 33 -3.814 3.217 0.809
233 1HB LYS 33 1HB LYS 33 -2.743 5.952 0.089
234 2HB LYS 33 2HB LYS 33 -4.399 5.482 0.492
235 1HG LYS 33 1HG LYS 33 -2.015 5.702 2.366
236 2HG LYS 33 2HG LYS 33 -3.365 6.818 2.285
237 1HD LYS 33 1HD LYS 33 -4.779 5.493 3.511
238 2HD LYS 33 2HD LYS 33 -4.203 4.011 2.783
239 1HE LYS 33 1HE LYS 33 -3.383 3.647 4.841
240 2HE LYS 33 2HE LYS 33 -1.991 4.474 4.164
241 1HZ LYS 33 1HZ LYS 33 -2.780 6.508 5.180
242 2HZ LYS 33 2HZ LYS 33 -4.089 5.721 5.804
243 3HZ LYS 33 3HZ LYS 33 -2.569 5.327 6.301
244 H ILE 34 H ILE 34 -4.641 2.602 -1.056
245 HA ILE 34 HA ILE 34 -3.229 3.177 -3.621
246 HB ILE 34 HB ILE 34 -5.373 1.075 -3.192
247 1HG1 ILE 34 1HG1 ILE 34 -3.700 0.390 -1.647
248 2HG1 ILE 34 2HG1 ILE 34 -3.762 -0.688 -3.029
249 1HG2 ILE 34 1HG2 ILE 34 -3.231 1.421 -5.327
250 2HG2 ILE 34 2HG2 ILE 34 -4.417 0.102 -5.241
251 3HG2 ILE 34 3HG2 ILE 34 -4.958 1.768 -5.494
252 1HD1 ILE 34 1HD1 ILE 34 -1.730 0.412 -3.976
253 2HD1 ILE 34 2HD1 ILE 34 -1.640 1.431 -2.512
254 3HD1 ILE 34 3HD1 ILE 34 -1.443 -0.317 -2.393
255 H ILE 35 H ILE 35 -4.351 4.715 -4.847
256 HA ILE 35 HA ILE 35 -7.306 4.642 -4.736
257 HB ILE 35 HB ILE 35 -7.488 7.062 -4.882
258 1HG1 ILE 35 1HG1 ILE 35 -4.546 7.209 -4.082
259 2HG1 ILE 35 2HG1 ILE 35 -5.187 7.571 -5.693
260 1HG2 ILE 35 1HG2 ILE 35 -7.734 5.802 -2.724
261 2HG2 ILE 35 2HG2 ILE 35 -6.062 6.257 -2.318
262 3HG2 ILE 35 3HG2 ILE 35 -7.312 7.501 -2.522
263 1HD1 ILE 35 1HD1 ILE 35 -5.829 9.092 -3.145
264 2HD1 ILE 35 2HD1 ILE 35 -4.904 9.653 -4.547
265 3HD1 ILE 35 3HD1 ILE 35 -6.643 9.342 -4.705
266 H SER 36 H SER 36 -8.334 5.030 -6.626
267 HA SER 36 HA SER 36 -6.671 4.683 -9.041
268 1HB SER 36 1HB SER 36 -8.576 3.138 -8.457
269 2HB SER 36 2HB SER 36 -9.689 4.496 -8.708
270 HG SER 36 HG SER 36 -7.880 3.381 -10.602
271 H ALA 37 H ALA 37 -6.459 7.235 -7.900
272 HA ALA 37 HA ALA 37 -8.067 9.043 -9.648
273 1HB ALA 37 1HB ALA 37 -6.305 9.595 -7.235
274 2HB ALA 37 2HB ALA 37 -7.285 10.792 -8.111
275 3HB ALA 37 3HB ALA 37 -8.077 9.478 -7.220
276 H SER 38 H SER 38 -5.363 7.280 -10.078
277 HA SER 38 HA SER 38 -3.274 7.477 -10.858
278 1HB SER 38 1HB SER 38 -4.570 8.000 -12.892
279 2HB SER 38 2HB SER 38 -4.489 9.729 -12.500
280 HG SER 38 HG SER 38 -2.207 9.538 -12.622
281 H THR 39 H THR 39 -3.733 8.726 -8.408
282 HA THR 39 HA THR 39 -1.670 10.784 -8.161
283 HB THR 39 HB THR 39 -4.609 11.294 -7.451
284 HG1 THR 39 1HG THR 39 -4.294 11.544 -9.638
285 1HG2 THR 39 1HG2 THR 39 -3.792 13.674 -7.120
286 2HG2 THR 39 2HG2 THR 39 -3.322 12.550 -5.857
287 3HG2 THR 39 3HG2 THR 39 -2.138 13.039 -7.103
288 H CYS 40 H CYS 40 -1.687 11.340 -5.628
289 HA CYS 40 HA CYS 40 -2.489 8.985 -4.021
290 1HB CYS 40 1HB CYS 40 0.269 10.235 -4.247
291 2HB CYS 40 2HB CYS 40 -0.230 9.301 -2.843
292 HA PRO 41 HA PRO 41 -3.979 12.042 -1.292
293 1HB PRO 41 1HB PRO 41 -3.909 10.808 1.170
294 2HB PRO 41 2HB PRO 41 -4.993 10.321 -0.161
295 1HG PRO 41 1HG PRO 41 -2.307 9.124 0.560
296 2HG PRO 41 2HG PRO 41 -3.849 8.266 0.275
297 1HD PRO 41 1HD PRO 41 -1.970 8.504 -1.657
298 2HD PRO 41 2HD PRO 41 -3.706 8.636 -2.054
299 H SER 42 H SER 42 -3.581 13.089 0.862
300 HA SER 42 HA SER 42 -2.070 15.080 0.711
301 1HB SER 42 1HB SER 42 -3.533 14.660 2.604
302 2HB SER 42 2HB SER 42 -2.320 13.606 3.356
303 HG SER 42 HG SER 42 -2.058 16.372 2.754
304 H ASP 43 H ASP 43 -0.429 12.401 2.568
305 HA ASP 43 HA ASP 43 2.129 13.240 1.380
306 1HB ASP 43 1HB ASP 43 1.815 14.833 3.237
307 2HB ASP 43 2HB ASP 43 1.597 13.490 4.367
308 HD2 ASP 43 HD ASP 43 3.851 14.335 1.793
309 H TYR 44 H TYR 44 1.950 11.176 0.477
310 HA TYR 44 HA TYR 44 3.181 9.103 2.232
311 1HB TYR 44 1HB TYR 44 0.964 8.688 0.190
312 2HB TYR 44 2HB TYR 44 1.936 7.397 0.901
313 HD1 TYR 44 1HD TYR 44 -0.485 10.135 1.777
314 HD2 TYR 44 2HD TYR 44 1.193 6.324 2.825
315 HE1 TYR 44 1HE TYR 44 -1.946 10.041 3.765
316 HE2 TYR 44 2HE TYR 44 -0.170 6.274 4.894
317 HH TYR 44 HH TYR 44 -2.360 8.988 5.763
318 HA PRO 45 HA PRO 45 5.326 10.068 -1.791
319 1HB PRO 45 1HB PRO 45 7.539 11.416 -1.054
320 2HB PRO 45 2HB PRO 45 5.923 12.171 -1.021
321 1HG PRO 45 1HG PRO 45 7.407 10.922 1.295
322 2HG PRO 45 2HG PRO 45 6.663 12.539 1.233
323 1HD PRO 45 1HD PRO 45 5.353 10.343 2.289
324 2HD PRO 45 2HD PRO 45 4.518 11.670 1.430
325 H LYS 46 H LYS 46 5.735 7.785 0.528
326 HA LYS 46 HA LYS 46 8.273 6.707 -0.626
327 1HB LYS 46 1HB LYS 46 7.059 6.610 2.105
328 2HB LYS 46 2HB LYS 46 7.711 5.097 1.494
329 1HG LYS 46 1HG LYS 46 9.456 6.212 2.706
330 2HG LYS 46 2HG LYS 46 9.867 6.116 1.004
331 1HD LYS 46 1HD LYS 46 10.513 8.281 1.909
332 2HD LYS 46 2HD LYS 46 9.271 8.487 0.679
333 1HE LYS 46 1HE LYS 46 8.950 9.951 2.652
334 2HE LYS 46 2HE LYS 46 7.561 8.876 2.399
335 1HZ LYS 46 1HZ LYS 46 8.305 7.530 4.152
336 2HZ LYS 46 2HZ LYS 46 9.728 8.366 4.311
337 3HZ LYS 46 3HZ LYS 46 8.287 9.076 4.689