Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
22406 | 2joc RC | 15159 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLY 1 1H GLY 1 0.203 -6.597 -9.475
2 2H GLY 1 2H GLY 1 1.425 -5.444 -9.276
3 3H GLY 1 3H GLY 1 -0.172 -5.065 -8.865
4 1HA GLY 1 1HA GLY 1 1.118 -5.490 -6.877
5 2HA GLY 1 2HA GLY 1 -0.147 -6.691 -7.086
6 H ALA 2 H ALA 2 0.423 -8.805 -7.778
7 HA ALA 2 HA ALA 2 1.697 -10.692 -7.769
8 1HB ALA 2 1HB ALA 2 3.941 -10.560 -8.709
9 2HB ALA 2 2HB ALA 2 3.920 -8.804 -8.541
10 3HB ALA 2 3HB ALA 2 2.808 -9.597 -9.656
11 H MET 3 H MET 3 4.317 -11.188 -7.000
12 HA MET 3 HA MET 3 4.089 -11.260 -4.197
13 1HB MET 3 1HB MET 3 6.262 -12.253 -4.184
14 2HB MET 3 2HB MET 3 5.425 -12.845 -5.611
15 1HG MET 3 1HG MET 3 7.489 -10.655 -5.556
16 2HG MET 3 2HG MET 3 7.749 -12.315 -6.087
17 1HE MET 3 1HE MET 3 6.853 -8.801 -7.007
18 2HE MET 3 2HE MET 3 5.178 -9.306 -6.789
19 3HE MET 3 3HE MET 3 5.777 -8.908 -8.398
20 H GLY 4 H GLY 4 4.216 -8.564 -5.705
21 1HA GLY 4 1HA GLY 4 6.140 -7.320 -3.843
22 2HA GLY 4 2HA GLY 4 5.997 -6.793 -5.512
23 HA PRO 5 HA PRO 5 3.746 -3.720 -2.725
24 1HB PRO 5 1HB PRO 5 3.978 -2.610 -5.502
25 2HB PRO 5 2HB PRO 5 4.079 -1.771 -3.950
26 1HG PRO 5 1HG PRO 5 6.275 -2.486 -5.363
27 2HG PRO 5 2HG PRO 5 6.255 -2.410 -3.593
28 1HD PRO 5 1HD PRO 5 6.457 -4.746 -5.332
29 2HD PRO 5 2HD PRO 5 6.715 -4.627 -3.582
30 H LEU 6 H LEU 6 1.637 -2.828 -2.984
31 HA LEU 6 HA LEU 6 -0.585 -3.298 -3.151
32 1HB LEU 6 1HB LEU 6 -0.231 -3.326 -6.118
33 2HB LEU 6 2HB LEU 6 -1.490 -2.575 -5.165
34 HG LEU 6 HG LEU 6 0.010 -0.810 -4.480
35 1HD1 LEU 6 1HD1 LEU 6 2.045 -2.483 -5.883
36 2HD1 LEU 6 2HD1 LEU 6 2.048 -1.811 -4.247
37 3HD1 LEU 6 3HD1 LEU 6 2.280 -0.747 -5.639
38 1HD2 LEU 6 1HD2 LEU 6 0.541 0.159 -6.747
39 2HD2 LEU 6 2HD2 LEU 6 -1.131 -0.349 -6.526
40 3HD2 LEU 6 3HD2 LEU 6 -0.018 -1.360 -7.447
41 HA PRO 7 HA PRO 7 -0.092 -7.722 -4.067
42 1HB PRO 7 1HB PRO 7 -0.959 -8.018 -1.308
43 2HB PRO 7 2HB PRO 7 0.486 -8.681 -2.088
44 1HG PRO 7 1HG PRO 7 0.674 -6.687 -0.299
45 2HG PRO 7 2HG PRO 7 1.722 -6.736 -1.731
46 1HD PRO 7 1HD PRO 7 -0.805 -5.162 -1.305
47 2HD PRO 7 2HD PRO 7 0.746 -4.590 -1.953
48 HA PRO 8 HA PRO 8 -4.643 -8.280 -2.820
49 1HB PRO 8 1HB PRO 8 -5.455 -6.257 -0.990
50 2HB PRO 8 2HB PRO 8 -5.148 -7.956 -0.624
51 1HG PRO 8 1HG PRO 8 -3.654 -5.762 0.252
52 2HG PRO 8 2HG PRO 8 -3.156 -7.454 0.315
53 1HD PRO 8 1HD PRO 8 -2.348 -5.350 -1.629
54 2HD PRO 8 2HD PRO 8 -1.471 -6.741 -1.034
55 H GLY 9 H GLY 9 -3.989 -6.739 -4.991
56 1HA GLY 9 1HA GLY 9 -4.764 -5.069 -6.424
57 2HA GLY 9 2HA GLY 9 -6.328 -5.394 -5.671
58 H TRP 10 H TRP 10 -3.265 -3.803 -4.960
59 HA TRP 10 HA TRP 10 -4.692 -1.719 -3.428
60 1HB TRP 10 1HB TRP 10 -2.075 -3.125 -3.096
61 2HB TRP 10 2HB TRP 10 -2.299 -1.543 -2.379
62 HD1 TRP 10 HD1 TRP 10 -4.458 -4.657 -2.628
63 HE1 TRP 10 HE1 TRP 10 -5.411 -5.258 -0.314
64 HE3 TRP 10 HE3 TRP 10 -2.287 -0.963 0.080
65 HZ2 TRP 10 HZ2 TRP 10 -5.175 -4.333 2.324
66 HZ3 TRP 10 HZ3 TRP 10 -2.624 -0.947 2.516
67 HH2 TRP 10 HH2 TRP 10 -4.040 -2.575 3.582
68 H GLU 11 H GLU 11 -4.007 0.427 -3.538
69 HA GLU 11 HA GLU 11 -2.466 1.066 -5.949
70 1HB GLU 11 1HB GLU 11 -4.673 2.179 -5.644
71 2HB GLU 11 2HB GLU 11 -4.058 2.925 -4.175
72 1HG GLU 11 1HG GLU 11 -3.113 3.370 -6.992
73 2HG GLU 11 2HG GLU 11 -3.898 4.517 -5.920
74 H LYS 12 H LYS 12 -0.422 0.767 -5.328
75 HA LYS 12 HA LYS 12 0.577 2.324 -3.036
76 1HB LYS 12 1HB LYS 12 1.461 -0.359 -4.059
77 2HB LYS 12 2HB LYS 12 2.494 0.615 -3.045
78 1HG LYS 12 1HG LYS 12 1.379 -1.045 -1.748
79 2HG LYS 12 2HG LYS 12 0.809 0.547 -1.275
80 1HD LYS 12 1HD LYS 12 -0.914 -0.453 -3.328
81 2HD LYS 12 2HD LYS 12 -0.708 -1.686 -2.086
82 1HE LYS 12 1HE LYS 12 -1.349 -0.226 -0.377
83 2HE LYS 12 2HE LYS 12 -1.302 1.179 -1.438
84 1HZ LYS 12 1HZ LYS 12 -3.553 0.671 -1.216
85 2HZ LYS 12 2HZ LYS 12 -3.306 -0.994 -1.361
86 3HZ LYS 12 3HZ LYS 12 -3.142 0.003 -2.714
87 H ARG 13 H ARG 13 2.593 3.283 -3.251
88 HA ARG 13 HA ARG 13 3.850 3.302 -5.872
89 1HB ARG 13 1HB ARG 13 3.518 5.526 -6.427
90 2HB ARG 13 2HB ARG 13 1.953 5.065 -5.774
91 1HG ARG 13 1HG ARG 13 2.745 6.021 -3.568
92 2HG ARG 13 2HG ARG 13 4.094 6.715 -4.471
93 1HD ARG 13 1HD ARG 13 1.159 7.288 -4.742
94 2HD ARG 13 2HD ARG 13 2.472 8.413 -4.399
95 HE ARG 13 HE ARG 13 3.007 8.457 -6.664
96 1HH1 ARG 13 1HH1 ARG 13 0.465 6.168 -6.008
97 2HH1 ARG 13 2HH1 ARG 13 0.001 6.009 -7.670
98 1HH2 ARG 13 1HH2 ARG 13 2.400 8.256 -8.858
99 2HH2 ARG 13 2HH2 ARG 13 1.101 7.195 -9.289
100 H THR 14 H THR 14 5.964 4.079 -5.882
101 HA THR 14 HA THR 14 7.090 4.545 -3.201
102 HB THR 14 HB THR 14 8.326 3.078 -5.532
103 HG1 THR 14 HG1 THR 14 7.585 1.392 -4.506
104 1HG2 THR 14 1HG2 THR 14 10.266 2.724 -4.092
105 2HG2 THR 14 2HG2 THR 14 9.530 3.718 -2.835
106 3HG2 THR 14 3HG2 THR 14 10.006 4.445 -4.371
107 H ASP 15 H ASP 15 7.140 6.765 -3.269
108 HA ASP 15 HA ASP 15 8.503 8.110 -5.463
109 1HB ASP 15 1HB ASP 15 6.556 9.242 -4.618
110 2HB ASP 15 2HB ASP 15 7.120 9.101 -2.955
111 H SER 16 H SER 16 10.489 9.278 -5.166
112 HA SER 16 HA SER 16 12.437 7.969 -3.657
113 1HB SER 16 1HB SER 16 13.865 9.994 -4.007
114 2HB SER 16 2HB SER 16 13.071 9.477 -5.493
115 HG SER 16 HG SER 16 12.800 11.662 -5.359
116 H ASN 17 H ASN 17 10.093 10.231 -2.377
117 HA ASN 17 HA ASN 17 11.434 10.911 -0.048
118 1HB ASN 17 1HB ASN 17 8.894 11.130 -0.310
119 2HB ASN 17 2HB ASN 17 8.782 9.384 -0.101
120 1HD2 ASN 17 1HD2 ASN 17 7.537 9.544 1.741
121 2HD2 ASN 17 2HD2 ASN 17 8.178 10.081 3.253
122 H GLY 18 H GLY 18 10.818 8.391 -1.916
123 1HA GLY 18 1HA GLY 18 11.391 6.291 -2.251
124 2HA GLY 18 2HA GLY 18 12.849 6.705 -1.392
125 H ARG 19 H ARG 19 9.479 6.219 -0.799
126 HA ARG 19 HA ARG 19 9.972 4.099 1.176
127 1HB ARG 19 1HB ARG 19 9.420 6.529 2.113
128 2HB ARG 19 2HB ARG 19 7.784 6.033 1.705
129 1HG ARG 19 1HG ARG 19 8.392 5.605 4.057
130 2HG ARG 19 2HG ARG 19 7.891 4.165 3.169
131 1HD ARG 19 1HD ARG 19 9.845 3.710 4.562
132 2HD ARG 19 2HD ARG 19 10.229 3.542 2.850
133 HE ARG 19 HE ARG 19 10.880 6.135 3.525
134 1HH1 ARG 19 1HH1 ARG 19 11.838 2.935 4.511
135 2HH1 ARG 19 2HH1 ARG 19 13.447 3.410 4.942
136 1HH2 ARG 19 1HH2 ARG 19 12.996 6.769 4.086
137 2HH2 ARG 19 2HH2 ARG 19 14.106 5.589 4.700
138 H VAL 20 H VAL 20 8.212 2.659 1.426
139 HA VAL 20 HA VAL 20 6.492 2.543 -0.946
140 HB VAL 20 HB VAL 20 6.964 0.386 1.109
141 1HG1 VAL 20 1HG1 VAL 20 4.876 0.169 -0.149
142 2HG1 VAL 20 2HG1 VAL 20 6.021 -1.106 -0.563
143 3HG1 VAL 20 3HG1 VAL 20 5.780 0.254 -1.660
144 1HG2 VAL 20 1HG2 VAL 20 9.054 0.945 -0.007
145 2HG2 VAL 20 2HG2 VAL 20 8.274 0.779 -1.580
146 3HG2 VAL 20 3HG2 VAL 20 8.469 -0.631 -0.539
147 H TYR 21 H TYR 21 4.507 3.319 -0.743
148 HA TYR 21 HA TYR 21 3.191 3.117 1.876
149 1HB TYR 21 1HB TYR 21 2.572 5.246 1.794
150 2HB TYR 21 2HB TYR 21 3.788 5.423 0.538
151 HD1 TYR 21 HD1 TYR 21 0.216 4.331 0.814
152 HD2 TYR 21 HD2 TYR 21 3.132 6.535 -1.371
153 HE1 TYR 21 HE1 TYR 21 -1.520 5.067 -0.757
154 HE2 TYR 21 HE2 TYR 21 1.394 7.276 -2.945
155 HH TYR 21 HH TYR 21 -0.830 6.517 -3.727
156 H PHE 22 H PHE 22 0.908 2.804 1.927
157 HA PHE 22 HA PHE 22 -0.145 1.490 -0.467
158 1HB PHE 22 1HB PHE 22 -0.081 0.466 2.355
159 2HB PHE 22 2HB PHE 22 -1.330 -0.070 1.235
160 HD1 PHE 22 HD1 PHE 22 2.301 0.600 0.942
161 HD2 PHE 22 HD2 PHE 22 -0.862 -2.224 0.423
162 HE1 PHE 22 HE1 PHE 22 3.879 -1.012 -0.013
163 HE2 PHE 22 HE2 PHE 22 0.717 -3.804 -0.538
164 HZ PHE 22 HZ PHE 22 3.062 -3.192 -0.748
165 H VAL 23 H VAL 23 -1.955 2.383 -1.132
166 HA VAL 23 HA VAL 23 -3.704 3.604 0.888
167 HB VAL 23 HB VAL 23 -2.840 5.216 -0.810
168 1HG1 VAL 23 1HG1 VAL 23 -2.716 3.780 -2.743
169 2HG1 VAL 23 2HG1 VAL 23 -3.788 5.135 -3.080
170 3HG1 VAL 23 3HG1 VAL 23 -4.462 3.547 -2.722
171 1HG2 VAL 23 1HG2 VAL 23 -5.811 4.712 -0.818
172 2HG2 VAL 23 2HG2 VAL 23 -5.032 6.218 -1.305
173 3HG2 VAL 23 3HG2 VAL 23 -4.908 5.660 0.363
174 H ASN 24 H ASN 24 -4.979 1.971 1.425
175 HA ASN 24 HA ASN 24 -6.362 0.489 -0.704
176 1HB ASN 24 1HB ASN 24 -5.203 -0.875 1.023
177 2HB ASN 24 2HB ASN 24 -6.183 -0.105 2.267
178 1HD2 ASN 24 1HD2 ASN 24 -7.398 -0.960 -0.888
179 2HD2 ASN 24 2HD2 ASN 24 -8.447 -2.226 -0.357
180 H HIS 25 H HIS 25 -8.447 1.080 -1.123
181 HA HIS 25 HA HIS 25 -9.682 2.722 0.976
182 1HB HIS 25 1HB HIS 25 -10.959 3.790 -0.962
183 2HB HIS 25 2HB HIS 25 -9.256 4.202 -0.783
184 HD1 HIS 25 HD1 HIS 25 -9.609 4.847 -3.406
185 HD2 HIS 25 HD2 HIS 25 -9.607 0.804 -2.444
186 HE1 HIS 25 HE1 HIS 25 -9.194 3.639 -5.572
187 HE2 HIS 25 HE2 HIS 25 -9.089 1.203 -4.945
188 H ASN 26 H ASN 26 -10.563 0.811 1.827
189 HA ASN 26 HA ASN 26 -12.899 -0.255 0.424
190 1HB ASN 26 1HB ASN 26 -13.122 -1.447 2.775
191 2HB ASN 26 2HB ASN 26 -11.917 -2.015 1.625
192 1HD2 ASN 26 1HD2 ASN 26 -10.672 -2.883 3.287
193 2HD2 ASN 26 2HD2 ASN 26 -9.725 -1.886 4.335
194 H THR 27 H THR 27 -12.528 0.531 3.797
195 HA THR 27 HA THR 27 -14.760 2.405 3.717
196 HB THR 27 HB THR 27 -14.984 0.972 5.579
197 HG1 THR 27 HG1 THR 27 -15.151 3.201 6.167
198 1HG2 THR 27 1HG2 THR 27 -12.662 0.055 5.436
199 2HG2 THR 27 2HG2 THR 27 -13.230 0.332 7.083
200 3HG2 THR 27 3HG2 THR 27 -12.105 1.465 6.337
201 H ARG 28 H ARG 28 -11.796 2.418 5.622
202 HA ARG 28 HA ARG 28 -10.698 4.722 4.269
203 1HB ARG 28 1HB ARG 28 -10.408 5.775 6.681
204 2HB ARG 28 2HB ARG 28 -11.840 6.090 5.713
205 1HG ARG 28 1HG ARG 28 -12.558 5.629 7.923
206 2HG ARG 28 2HG ARG 28 -12.979 4.232 6.932
207 1HD ARG 28 1HD ARG 28 -10.416 4.329 8.486
208 2HD ARG 28 2HD ARG 28 -11.926 3.827 9.244
209 HE ARG 28 HE ARG 28 -11.167 2.449 6.796
210 1HH1 ARG 28 1HH1 ARG 28 -11.296 2.465 10.275
211 2HH1 ARG 28 2HH1 ARG 28 -11.084 0.752 10.423
212 1HH2 ARG 28 1HH2 ARG 28 -10.887 0.189 6.976
213 2HH2 ARG 28 2HH2 ARG 28 -10.850 -0.543 8.546
214 H ILE 29 H ILE 29 -8.907 3.321 3.774
215 HA ILE 29 HA ILE 29 -7.296 2.616 6.151
216 HB ILE 29 HB ILE 29 -7.576 1.022 3.606
217 1HG1 ILE 29 1HG1 ILE 29 -9.462 0.759 5.143
218 2HG1 ILE 29 2HG1 ILE 29 -8.491 -0.710 5.102
219 1HG2 ILE 29 1HG2 ILE 29 -6.057 -0.585 4.662
220 2HG2 ILE 29 2HG2 ILE 29 -5.829 0.525 6.013
221 3HG2 ILE 29 3HG2 ILE 29 -5.279 0.975 4.399
222 1HD1 ILE 29 1HD1 ILE 29 -8.492 1.393 7.251
223 2HD1 ILE 29 2HD1 ILE 29 -7.398 0.010 7.198
224 3HD1 ILE 29 3HD1 ILE 29 -9.136 -0.245 7.360
225 H TPO 30 H TPO 30 -5.299 3.412 6.227
226 HA TPO 30 HA TPO 30 -3.826 3.950 3.773
227 HB TPO 30 HB TPO 30 -3.213 6.240 4.493
228 1HG2 TPO 30 1HG2 TPO 30 -5.317 7.311 3.844
229 2HG2 TPO 30 2HG2 TPO 30 -6.178 5.796 4.123
230 3HG2 TPO 30 3HG2 TPO 30 -4.980 5.906 2.833
231 H GLN 31 H GLN 31 -2.105 2.707 4.159
232 HA GLN 31 HA GLN 31 -0.333 3.373 6.377
233 1HB GLN 31 1HB GLN 31 -0.029 0.744 6.579
234 2HB GLN 31 2HB GLN 31 -1.222 1.597 7.529
235 1HG GLN 31 1HG GLN 31 -2.577 -0.022 6.766
236 2HG GLN 31 2HG GLN 31 -2.701 1.046 5.370
237 1HE2 GLN 31 1HE2 GLN 31 0.109 0.433 4.623
238 2HE2 GLN 31 2HE2 GLN 31 0.048 -1.124 3.881
239 H TRP 32 H TRP 32 1.905 2.834 5.894
240 HA TRP 32 HA TRP 32 2.259 2.224 3.045
241 1HB TRP 32 1HB TRP 32 4.379 2.978 5.047
242 2HB TRP 32 2HB TRP 32 4.463 3.091 3.293
243 HD1 TRP 32 HD1 TRP 32 1.713 4.484 5.655
244 HE1 TRP 32 HE1 TRP 32 1.499 7.009 5.195
245 HE3 TRP 32 HE3 TRP 32 5.484 4.998 2.260
246 HZ2 TRP 32 HZ2 TRP 32 2.778 8.964 3.598
247 HZ3 TRP 32 HZ3 TRP 32 5.920 7.209 1.311
248 HH2 TRP 32 HH2 TRP 32 4.603 9.160 1.962
249 H GLU 33 H GLU 33 1.585 -0.064 3.530
250 HA GLU 33 HA GLU 33 3.993 -1.641 3.702
251 1HB GLU 33 1HB GLU 33 3.473 -1.630 6.040
252 2HB GLU 33 2HB GLU 33 1.797 -2.075 5.714
253 1HG GLU 33 1HG GLU 33 3.072 -4.069 4.430
254 2HG GLU 33 2HG GLU 33 4.228 -3.735 5.729
255 H ASP 34 H ASP 34 3.846 -3.745 2.852
256 HA ASP 34 HA ASP 34 1.741 -4.267 1.004
257 1HB ASP 34 1HB ASP 34 4.016 -5.252 0.770
258 2HB ASP 34 2HB ASP 34 3.763 -6.168 2.251
259 HA PRO 35 HA PRO 35 -0.922 -5.694 4.315
260 1HB PRO 35 1HB PRO 35 -3.064 -6.166 2.471
261 2HB PRO 35 2HB PRO 35 -2.786 -4.740 3.473
262 1HG PRO 35 1HG PRO 35 -2.649 -4.667 0.766
263 2HG PRO 35 2HG PRO 35 -1.672 -3.615 1.798
264 1HD PRO 35 1HD PRO 35 -0.893 -6.289 0.633
265 2HD PRO 35 2HD PRO 35 -0.046 -4.744 0.442
266 H ARG 36 H ARG 36 0.453 -7.683 2.141
267 HA ARG 36 HA ARG 36 -0.017 -9.895 1.430
268 1HB ARG 36 1HB ARG 36 0.875 -11.332 3.249
269 2HB ARG 36 2HB ARG 36 1.866 -9.919 2.917
270 1HG ARG 36 1HG ARG 36 -0.154 -9.972 5.137
271 2HG ARG 36 2HG ARG 36 1.502 -10.541 5.347
272 1HD ARG 36 1HD ARG 36 2.304 -8.318 4.593
273 2HD ARG 36 2HD ARG 36 0.627 -7.771 4.536
274 HE ARG 36 HE ARG 36 0.810 -7.391 6.769
275 1HH1 ARG 36 1HH1 ARG 36 2.934 -10.020 5.934
276 2HH1 ARG 36 2HH1 ARG 36 3.505 -10.247 7.553
277 1HH2 ARG 36 1HH2 ARG 36 1.552 -7.684 8.911
278 2HH2 ARG 36 2HH2 ARG 36 2.718 -8.919 9.245
279 H SER 37 H SER 37 -0.856 -10.744 4.667
280 HA SER 37 HA SER 37 -3.130 -12.195 3.890
281 1HB SER 37 1HB SER 37 -2.371 -11.204 6.650
282 2HB SER 37 2HB SER 37 -3.550 -12.468 6.299
283 HG SER 37 HG SER 37 -0.803 -12.562 5.587
Start of MODEL 2
1 1H GLY 1 1H GLY 1 3.633 -8.861 -14.001
2 2H GLY 1 2H GLY 1 4.106 -10.149 -14.992
3 3H GLY 1 3H GLY 1 4.768 -9.985 -13.444
4 1HA GLY 1 1HA GLY 1 1.924 -10.572 -14.067
5 2HA GLY 1 2HA GLY 1 3.104 -11.735 -13.480
6 H ALA 2 H ALA 2 3.224 -8.495 -12.278
7 HA ALA 2 HA ALA 2 2.592 -7.539 -10.298
8 1HB ALA 2 1HB ALA 2 0.393 -8.556 -10.609
9 2HB ALA 2 2HB ALA 2 0.872 -8.569 -8.911
10 3HB ALA 2 3HB ALA 2 0.974 -10.048 -9.867
11 H MET 3 H MET 3 4.523 -7.464 -9.296
12 HA MET 3 HA MET 3 5.035 -9.408 -7.220
13 1HB MET 3 1HB MET 3 7.295 -9.942 -7.906
14 2HB MET 3 2HB MET 3 6.176 -10.387 -9.186
15 1HG MET 3 1HG MET 3 7.887 -7.913 -9.119
16 2HG MET 3 2HG MET 3 8.191 -9.361 -10.075
17 1HE MET 3 1HE MET 3 5.312 -5.952 -10.985
18 2HE MET 3 2HE MET 3 6.903 -5.857 -10.231
19 3HE MET 3 3HE MET 3 5.550 -6.561 -9.347
20 H GLY 4 H GLY 4 5.175 -8.063 -5.542
21 1HA GLY 4 1HA GLY 4 7.002 -6.588 -4.523
22 2HA GLY 4 2HA GLY 4 6.667 -5.549 -5.896
23 HA PRO 5 HA PRO 5 4.518 -3.487 -2.336
24 1HB PRO 5 1HB PRO 5 3.910 -2.040 -4.896
25 2HB PRO 5 2HB PRO 5 4.234 -1.382 -3.289
26 1HG PRO 5 1HG PRO 5 6.128 -1.539 -5.251
27 2HG PRO 5 2HG PRO 5 6.505 -1.575 -3.521
28 1HD PRO 5 1HD PRO 5 6.791 -3.700 -5.474
29 2HD PRO 5 2HD PRO 5 7.279 -3.696 -3.772
30 H LEU 6 H LEU 6 2.602 -3.995 -1.664
31 HA LEU 6 HA LEU 6 0.527 -4.799 -1.473
32 1HB LEU 6 1HB LEU 6 -1.071 -4.268 -3.341
33 2HB LEU 6 2HB LEU 6 -0.429 -2.949 -2.385
34 HG LEU 6 HG LEU 6 1.237 -2.622 -4.282
35 1HD1 LEU 6 1HD1 LEU 6 0.465 -3.467 -6.478
36 2HD1 LEU 6 2HD1 LEU 6 -0.796 -4.377 -5.642
37 3HD1 LEU 6 3HD1 LEU 6 0.902 -4.781 -5.386
38 1HD2 LEU 6 1HD2 LEU 6 -0.279 -0.937 -4.318
39 2HD2 LEU 6 2HD2 LEU 6 -1.652 -2.032 -4.344
40 3HD2 LEU 6 3HD2 LEU 6 -0.735 -1.736 -5.817
41 HA PRO 7 HA PRO 7 0.597 -8.717 -3.523
42 1HB PRO 7 1HB PRO 7 -1.206 -9.253 -1.275
43 2HB PRO 7 2HB PRO 7 0.247 -10.163 -1.763
44 1HG PRO 7 1HG PRO 7 0.321 -8.638 0.405
45 2HG PRO 7 2HG PRO 7 1.688 -8.607 -0.732
46 1HD PRO 7 1HD PRO 7 -0.605 -6.678 -0.500
47 2HD PRO 7 2HD PRO 7 1.118 -6.320 -0.614
48 HA PRO 8 HA PRO 8 -4.215 -8.672 -3.647
49 1HB PRO 8 1HB PRO 8 -5.145 -6.604 -1.888
50 2HB PRO 8 2HB PRO 8 -5.283 -8.353 -1.666
51 1HG PRO 8 1HG PRO 8 -3.754 -6.660 -0.109
52 2HG PRO 8 2HG PRO 8 -3.496 -8.404 -0.258
53 1HD PRO 8 1HD PRO 8 -2.039 -6.175 -1.643
54 2HD PRO 8 2HD PRO 8 -1.430 -7.665 -0.961
55 H GLY 9 H GLY 9 -6.128 -7.007 -4.094
56 1HA GLY 9 1HA GLY 9 -5.248 -5.228 -6.146
57 2HA GLY 9 2HA GLY 9 -6.892 -5.350 -5.518
58 H TRP 10 H TRP 10 -3.823 -3.778 -5.227
59 HA TRP 10 HA TRP 10 -4.998 -1.781 -3.393
60 1HB TRP 10 1HB TRP 10 -2.294 -3.051 -3.276
61 2HB TRP 10 2HB TRP 10 -2.734 -1.667 -2.341
62 HD1 TRP 10 HD1 TRP 10 -4.103 -5.230 -2.831
63 HE1 TRP 10 HE1 TRP 10 -5.015 -6.048 -0.573
64 HE3 TRP 10 HE3 TRP 10 -2.840 -1.225 -0.005
65 HZ2 TRP 10 HZ2 TRP 10 -5.064 -5.154 2.091
66 HZ3 TRP 10 HZ3 TRP 10 -3.248 -1.340 2.425
67 HH2 TRP 10 HH2 TRP 10 -4.326 -3.235 3.425
68 H GLU 11 H GLU 11 -4.182 0.318 -3.516
69 HA GLU 11 HA GLU 11 -2.654 0.897 -5.950
70 1HB GLU 11 1HB GLU 11 -4.795 2.145 -5.538
71 2HB GLU 11 2HB GLU 11 -4.050 2.847 -4.105
72 1HG GLU 11 1HG GLU 11 -3.568 3.416 -6.967
73 2HG GLU 11 2HG GLU 11 -3.616 4.494 -5.582
74 H LYS 12 H LYS 12 -0.625 0.324 -5.233
75 HA LYS 12 HA LYS 12 0.454 1.815 -2.933
76 1HB LYS 12 1HB LYS 12 1.176 -0.886 -4.044
77 2HB LYS 12 2HB LYS 12 2.318 0.009 -3.060
78 1HG LYS 12 1HG LYS 12 1.094 -1.610 -1.754
79 2HG LYS 12 2HG LYS 12 0.754 0.021 -1.200
80 1HD LYS 12 1HD LYS 12 -1.170 -0.730 -3.189
81 2HD LYS 12 2HD LYS 12 -1.076 -1.966 -1.940
82 1HE LYS 12 1HE LYS 12 -1.498 -0.421 -0.239
83 2HE LYS 12 2HE LYS 12 -1.307 0.954 -1.324
84 1HZ LYS 12 1HZ LYS 12 -3.301 0.182 -2.518
85 2HZ LYS 12 2HZ LYS 12 -3.627 0.576 -0.908
86 3HZ LYS 12 3HZ LYS 12 -3.504 -1.045 -1.372
87 H ARG 13 H ARG 13 2.518 2.716 -3.100
88 HA ARG 13 HA ARG 13 3.677 2.912 -5.767
89 1HB ARG 13 1HB ARG 13 2.131 4.701 -5.901
90 2HB ARG 13 2HB ARG 13 2.516 5.254 -4.279
91 1HG ARG 13 1HG ARG 13 4.759 5.891 -5.044
92 2HG ARG 13 2HG ARG 13 4.332 5.375 -6.677
93 1HD ARG 13 1HD ARG 13 3.062 7.593 -5.079
94 2HD ARG 13 2HD ARG 13 4.076 7.764 -6.512
95 HE ARG 13 HE ARG 13 1.812 6.161 -7.078
96 1HH1 ARG 13 1HH1 ARG 13 2.777 9.462 -6.534
97 2HH1 ARG 13 2HH1 ARG 13 1.488 10.130 -7.478
98 1HH2 ARG 13 1HH2 ARG 13 0.109 7.030 -8.322
99 2HH2 ARG 13 2HH2 ARG 13 -0.029 8.749 -8.494
100 H THR 14 H THR 14 5.782 3.676 -5.847
101 HA THR 14 HA THR 14 7.130 3.970 -3.246
102 HB THR 14 HB THR 14 9.079 2.807 -4.150
103 HG1 THR 14 HG1 THR 14 7.458 2.286 -6.439
104 1HG2 THR 14 1HG2 THR 14 8.149 0.544 -4.258
105 2HG2 THR 14 2HG2 THR 14 6.537 1.214 -4.502
106 3HG2 THR 14 3HG2 THR 14 7.383 1.486 -2.979
107 H ASP 15 H ASP 15 7.125 6.213 -3.392
108 HA ASP 15 HA ASP 15 8.612 7.419 -5.620
109 1HB ASP 15 1HB ASP 15 6.407 8.391 -5.187
110 2HB ASP 15 2HB ASP 15 6.848 8.684 -3.506
111 H SER 16 H SER 16 10.355 8.879 -5.174
112 HA SER 16 HA SER 16 12.182 8.035 -3.236
113 1HB SER 16 1HB SER 16 12.622 9.570 -5.270
114 2HB SER 16 2HB SER 16 12.072 10.901 -4.256
115 HG SER 16 HG SER 16 14.094 9.141 -3.380
116 H ASN 17 H ASN 17 9.390 10.059 -2.676
117 HA ASN 17 HA ASN 17 10.178 11.205 -0.282
118 1HB ASN 17 1HB ASN 17 7.773 9.364 -0.736
119 2HB ASN 17 2HB ASN 17 8.016 10.301 0.736
120 1HD2 ASN 17 1HD2 ASN 17 7.201 10.410 -2.633
121 2HD2 ASN 17 2HD2 ASN 17 6.601 12.031 -2.646
122 H GLY 18 H GLY 18 10.251 8.412 -1.840
123 1HA GLY 18 1HA GLY 18 11.138 6.392 -1.756
124 2HA GLY 18 2HA GLY 18 12.365 7.146 -0.774
125 H ARG 19 H ARG 19 9.032 6.256 -0.569
126 HA ARG 19 HA ARG 19 9.488 4.486 1.735
127 1HB ARG 19 1HB ARG 19 8.334 7.031 1.961
128 2HB ARG 19 2HB ARG 19 6.979 5.910 1.977
129 1HG ARG 19 1HG ARG 19 7.780 6.434 4.225
130 2HG ARG 19 2HG ARG 19 7.936 4.719 3.842
131 1HD ARG 19 1HD ARG 19 10.287 4.951 3.457
132 2HD ARG 19 2HD ARG 19 10.183 6.708 3.566
133 HE ARG 19 HE ARG 19 9.495 5.073 5.902
134 1HH1 ARG 19 1HH1 ARG 19 11.585 7.374 4.333
135 2HH1 ARG 19 2HH1 ARG 19 12.382 7.846 5.797
136 1HH2 ARG 19 1HH2 ARG 19 10.534 5.689 7.837
137 2HH2 ARG 19 2HH2 ARG 19 11.784 6.888 7.790
138 H VAL 20 H VAL 20 7.986 2.796 1.907
139 HA VAL 20 HA VAL 20 6.470 2.276 -0.546
140 HB VAL 20 HB VAL 20 6.264 -0.043 0.330
141 1HG1 VAL 20 1HG1 VAL 20 8.081 0.543 -1.185
142 2HG1 VAL 20 2HG1 VAL 20 8.606 -0.669 -0.015
143 3HG1 VAL 20 3HG1 VAL 20 9.086 1.017 0.186
144 1HG2 VAL 20 1HG2 VAL 20 6.387 0.457 2.713
145 2HG2 VAL 20 2HG2 VAL 20 8.063 0.970 2.531
146 3HG2 VAL 20 3HG2 VAL 20 7.623 -0.715 2.257
147 H TYR 21 H TYR 21 4.573 3.385 -0.331
148 HA TYR 21 HA TYR 21 3.050 2.956 2.143
149 1HB TYR 21 1HB TYR 21 2.293 5.073 2.040
150 2HB TYR 21 2HB TYR 21 3.754 5.302 1.100
151 HD1 TYR 21 HD1 TYR 21 3.664 5.492 -1.348
152 HD2 TYR 21 HD2 TYR 21 0.115 5.295 1.006
153 HE1 TYR 21 HE1 TYR 21 2.365 6.361 -3.243
154 HE2 TYR 21 HE2 TYR 21 -1.185 6.162 -0.895
155 HH TYR 21 HH TYR 21 0.056 6.358 -4.051
156 H PHE 22 H PHE 22 0.813 2.586 2.079
157 HA PHE 22 HA PHE 22 -0.149 1.381 -0.423
158 1HB PHE 22 1HB PHE 22 -0.301 0.362 2.400
159 2HB PHE 22 2HB PHE 22 -1.516 -0.111 1.222
160 HD1 PHE 22 HD1 PHE 22 2.183 0.286 1.167
161 HD2 PHE 22 HD2 PHE 22 -1.154 -2.274 0.400
162 HE1 PHE 22 HE1 PHE 22 3.695 -1.466 0.387
163 HE2 PHE 22 HE2 PHE 22 0.371 -4.004 -0.370
164 HZ PHE 22 HZ PHE 22 2.773 -3.594 -0.370
165 H VAL 23 H VAL 23 -2.043 2.127 -1.144
166 HA VAL 23 HA VAL 23 -3.804 3.452 0.794
167 HB VAL 23 HB VAL 23 -4.576 4.814 -1.311
168 1HG1 VAL 23 1HG1 VAL 23 -3.714 5.781 0.742
169 2HG1 VAL 23 2HG1 VAL 23 -3.035 6.608 -0.660
170 3HG1 VAL 23 3HG1 VAL 23 -2.061 5.437 0.231
171 1HG2 VAL 23 1HG2 VAL 23 -2.676 5.416 -2.759
172 2HG2 VAL 23 2HG2 VAL 23 -3.147 3.725 -2.929
173 3HG2 VAL 23 3HG2 VAL 23 -1.715 4.152 -1.992
174 H ASN 24 H ASN 24 -5.138 1.784 1.090
175 HA ASN 24 HA ASN 24 -6.602 0.777 -1.256
176 1HB ASN 24 1HB ASN 24 -5.652 -0.497 1.214
177 2HB ASN 24 2HB ASN 24 -7.346 -0.831 0.860
178 1HD2 ASN 24 1HD2 ASN 24 -7.018 -2.968 0.371
179 2HD2 ASN 24 2HD2 ASN 24 -6.184 -3.490 -1.048
180 H HIS 25 H HIS 25 -8.815 1.112 -1.346
181 HA HIS 25 HA HIS 25 -9.852 2.615 0.951
182 1HB HIS 25 1HB HIS 25 -10.520 3.020 -1.964
183 2HB HIS 25 2HB HIS 25 -11.283 3.868 -0.623
184 HD1 HIS 25 HD1 HIS 25 -10.256 6.039 -0.032
185 HD2 HIS 25 HD2 HIS 25 -7.595 3.566 -2.048
186 HE1 HIS 25 HE1 HIS 25 -8.190 7.426 -0.391
187 HE2 HIS 25 HE2 HIS 25 -6.634 5.941 -1.702
188 H ASN 26 H ASN 26 -10.574 0.638 1.791
189 HA ASN 26 HA ASN 26 -12.975 -0.485 0.560
190 1HB ASN 26 1HB ASN 26 -11.482 -1.170 3.122
191 2HB ASN 26 2HB ASN 26 -12.969 -1.967 2.613
192 1HD2 ASN 26 1HD2 ASN 26 -10.246 -3.003 3.045
193 2HD2 ASN 26 2HD2 ASN 26 -9.807 -3.777 1.564
194 H THR 27 H THR 27 -12.329 0.228 3.923
195 HA THR 27 HA THR 27 -14.651 1.982 4.081
196 HB THR 27 HB THR 27 -14.611 0.492 5.925
197 HG1 THR 27 HG1 THR 27 -13.363 2.901 6.801
198 1HG2 THR 27 1HG2 THR 27 -12.201 -0.183 5.549
199 2HG2 THR 27 2HG2 THR 27 -12.718 -0.083 7.231
200 3HG2 THR 27 3HG2 THR 27 -11.749 1.211 6.530
201 H ARG 28 H ARG 28 -11.562 2.143 5.752
202 HA ARG 28 HA ARG 28 -10.655 4.479 4.312
203 1HB ARG 28 1HB ARG 28 -10.365 5.817 6.384
204 2HB ARG 28 2HB ARG 28 -12.054 5.534 5.988
205 1HG ARG 28 1HG ARG 28 -12.169 3.771 7.661
206 2HG ARG 28 2HG ARG 28 -10.462 4.011 8.041
207 1HD ARG 28 1HD ARG 28 -12.654 6.058 8.366
208 2HD ARG 28 2HD ARG 28 -11.909 5.128 9.666
209 HE ARG 28 HE ARG 28 -9.820 6.387 8.438
210 1HH1 ARG 28 1HH1 ARG 28 -12.810 7.424 9.893
211 2HH1 ARG 28 2HH1 ARG 28 -12.180 8.955 10.403
212 1HH2 ARG 28 1HH2 ARG 28 -8.982 8.399 9.106
213 2HH2 ARG 28 2HH2 ARG 28 -10.003 9.509 9.956
214 H ILE 29 H ILE 29 -8.815 3.129 3.721
215 HA ILE 29 HA ILE 29 -7.064 2.568 6.034
216 HB ILE 29 HB ILE 29 -7.419 0.784 3.630
217 1HG1 ILE 29 1HG1 ILE 29 -9.309 0.627 5.160
218 2HG1 ILE 29 2HG1 ILE 29 -8.322 -0.828 5.276
219 1HG2 ILE 29 1HG2 ILE 29 -5.905 -0.741 4.799
220 2HG2 ILE 29 2HG2 ILE 29 -5.679 0.459 6.070
221 3HG2 ILE 29 3HG2 ILE 29 -5.121 0.795 4.433
222 1HD1 ILE 29 1HD1 ILE 29 -8.297 1.484 7.201
223 2HD1 ILE 29 2HD1 ILE 29 -7.300 0.034 7.318
224 3HD1 ILE 29 3HD1 ILE 29 -9.053 -0.087 7.464
225 H TPO 30 H TPO 30 -5.113 3.438 5.935
226 HA TPO 30 HA TPO 30 -3.712 3.663 3.401
227 HB TPO 30 HB TPO 30 -3.905 6.147 5.087
228 1HG2 TPO 30 1HG2 TPO 30 -2.012 5.986 3.557
229 2HG2 TPO 30 2HG2 TPO 30 -3.146 7.226 3.017
230 3HG2 TPO 30 3HG2 TPO 30 -3.110 5.653 2.217
231 H GLN 31 H GLN 31 -2.252 2.188 4.261
232 HA GLN 31 HA GLN 31 -0.417 3.274 6.302
233 1HB GLN 31 1HB GLN 31 -0.111 0.597 6.625
234 2HB GLN 31 2HB GLN 31 -1.157 1.582 7.622
235 1HG GLN 31 1HG GLN 31 -2.315 -0.413 6.916
236 2HG GLN 31 2HG GLN 31 -3.060 1.009 6.187
237 1HE2 GLN 31 1HE2 GLN 31 -0.029 -0.323 5.106
238 2HE2 GLN 31 2HE2 GLN 31 -0.602 -0.915 3.587
239 H TRP 32 H TRP 32 1.846 2.721 5.938
240 HA TRP 32 HA TRP 32 2.297 1.990 3.141
241 1HB TRP 32 1HB TRP 32 4.495 2.565 5.087
242 2HB TRP 32 2HB TRP 32 4.392 2.958 3.374
243 HD1 TRP 32 HD1 TRP 32 2.033 4.001 6.298
244 HE1 TRP 32 HE1 TRP 32 1.807 6.564 6.231
245 HE3 TRP 32 HE3 TRP 32 5.230 4.977 2.455
246 HZ2 TRP 32 HZ2 TRP 32 2.859 8.721 4.734
247 HZ3 TRP 32 HZ3 TRP 32 5.559 7.295 1.759
248 HH2 TRP 32 HH2 TRP 32 4.409 9.141 2.872
249 H GLU 33 H GLU 33 1.531 -0.257 3.627
250 HA GLU 33 HA GLU 33 3.848 -1.931 4.014
251 1HB GLU 33 1HB GLU 33 3.167 -1.804 6.306
252 2HB GLU 33 2HB GLU 33 1.499 -2.186 5.878
253 1HG GLU 33 1HG GLU 33 2.638 -4.313 4.801
254 2HG GLU 33 2HG GLU 33 3.877 -3.955 6.014
255 H ASP 34 H ASP 34 3.654 -4.064 3.214
256 HA ASP 34 HA ASP 34 1.580 -4.514 1.288
257 1HB ASP 34 1HB ASP 34 2.538 -6.769 1.068
258 2HB ASP 34 2HB ASP 34 3.833 -5.577 1.088
259 HA PRO 35 HA PRO 35 -1.211 -5.914 4.473
260 1HB PRO 35 1HB PRO 35 -3.201 -6.570 2.522
261 2HB PRO 35 2HB PRO 35 -3.030 -5.074 3.445
262 1HG PRO 35 1HG PRO 35 -2.699 -5.156 0.755
263 2HG PRO 35 2HG PRO 35 -1.802 -4.032 1.787
264 1HD PRO 35 1HD PRO 35 -0.947 -6.774 0.868
265 2HD PRO 35 2HD PRO 35 -0.102 -5.238 0.596
266 H ARG 36 H ARG 36 0.653 -7.959 3.651
267 HA ARG 36 HA ARG 36 -0.135 -10.321 2.688
268 1HB ARG 36 1HB ARG 36 1.317 -11.442 4.300
269 2HB ARG 36 2HB ARG 36 2.054 -9.954 3.726
270 1HG ARG 36 1HG ARG 36 2.469 -10.014 6.032
271 2HG ARG 36 2HG ARG 36 1.148 -8.861 5.825
272 1HD ARG 36 1HD ARG 36 -0.464 -10.556 6.470
273 2HD ARG 36 2HD ARG 36 0.818 -11.758 6.596
274 HE ARG 36 HE ARG 36 1.040 -9.399 8.288
275 1HH1 ARG 36 1HH1 ARG 36 0.194 -12.761 7.974
276 2HH1 ARG 36 2HH1 ARG 36 0.264 -13.074 9.675
277 1HH2 ARG 36 1HH2 ARG 36 1.136 -9.798 10.533
278 2HH2 ARG 36 2HH2 ARG 36 0.799 -11.388 11.132
279 H SER 37 H SER 37 -1.515 -8.783 5.435
280 HA SER 37 HA SER 37 -3.449 -10.955 5.666
281 1HB SER 37 1HB SER 37 -3.306 -10.954 8.131
282 2HB SER 37 2HB SER 37 -1.787 -11.459 7.394
283 HG SER 37 HG SER 37 -1.087 -9.985 8.772
Start of MODEL 3
1 1H GLY 1 1H GLY 1 1.096 -8.266 -10.057
2 2H GLY 1 2H GLY 1 2.122 -8.018 -11.379
3 3H GLY 1 3H GLY 1 2.727 -7.893 -9.804
4 1HA GLY 1 1HA GLY 1 1.704 -10.370 -11.084
5 2HA GLY 1 2HA GLY 1 3.397 -9.983 -10.813
6 H ALA 2 H ALA 2 1.561 -8.795 -8.292
7 HA ALA 2 HA ALA 2 1.243 -9.418 -6.126
8 1HB ALA 2 1HB ALA 2 -0.148 -11.186 -7.088
9 2HB ALA 2 2HB ALA 2 0.695 -11.745 -5.643
10 3HB ALA 2 3HB ALA 2 1.271 -12.222 -7.240
11 H MET 3 H MET 3 3.991 -9.783 -7.736
12 HA MET 3 HA MET 3 5.456 -11.209 -5.641
13 1HB MET 3 1HB MET 3 7.300 -11.301 -7.167
14 2HB MET 3 2HB MET 3 5.851 -11.760 -8.049
15 1HG MET 3 1HG MET 3 7.255 -9.102 -8.153
16 2HG MET 3 2HG MET 3 7.226 -10.334 -9.411
17 1HE MET 3 1HE MET 3 3.934 -7.329 -8.368
18 2HE MET 3 2HE MET 3 5.654 -7.199 -8.003
19 3HE MET 3 3HE MET 3 4.650 -8.345 -7.118
20 H GLY 4 H GLY 4 4.314 -8.584 -5.150
21 1HA GLY 4 1HA GLY 4 6.374 -7.365 -3.748
22 2HA GLY 4 2HA GLY 4 6.321 -6.584 -5.319
23 HA PRO 5 HA PRO 5 3.902 -3.813 -2.444
24 1HB PRO 5 1HB PRO 5 3.905 -2.642 -5.205
25 2HB PRO 5 2HB PRO 5 4.072 -1.834 -3.643
26 1HG PRO 5 1HG PRO 5 6.187 -2.457 -5.265
27 2HG PRO 5 2HG PRO 5 6.308 -2.277 -3.508
28 1HD PRO 5 1HD PRO 5 6.621 -4.674 -5.098
29 2HD PRO 5 2HD PRO 5 6.837 -4.472 -3.351
30 H LEU 6 H LEU 6 1.734 -3.095 -2.576
31 HA LEU 6 HA LEU 6 -0.459 -3.623 -2.684
32 1HB LEU 6 1HB LEU 6 -0.212 -3.840 -5.660
33 2HB LEU 6 2HB LEU 6 -1.485 -3.102 -4.715
34 HG LEU 6 HG LEU 6 -0.078 -1.203 -4.223
35 1HD1 LEU 6 1HD1 LEU 6 2.004 -2.835 -5.600
36 2HD1 LEU 6 2HD1 LEU 6 2.034 -2.046 -4.018
37 3HD1 LEU 6 3HD1 LEU 6 2.126 -1.074 -5.490
38 1HD2 LEU 6 1HD2 LEU 6 -1.247 -0.765 -6.171
39 2HD2 LEU 6 2HD2 LEU 6 -0.419 -2.032 -7.074
40 3HD2 LEU 6 3HD2 LEU 6 0.419 -0.527 -6.696
41 HA PRO 7 HA PRO 7 0.139 -8.097 -3.217
42 1HB PRO 7 1HB PRO 7 -1.177 -8.024 -0.591
43 2HB PRO 7 2HB PRO 7 0.278 -8.922 -1.073
44 1HG PRO 7 1HG PRO 7 0.510 -6.773 0.483
45 2HG PRO 7 2HG PRO 7 1.658 -7.026 -0.849
46 1HD PRO 7 1HD PRO 7 -0.782 -5.264 -0.782
47 2HD PRO 7 2HD PRO 7 0.846 -4.846 -1.346
48 HA PRO 8 HA PRO 8 -4.629 -8.172 -2.824
49 1HB PRO 8 1HB PRO 8 -5.486 -6.013 -1.166
50 2HB PRO 8 2HB PRO 8 -5.439 -7.724 -0.727
51 1HG PRO 8 1HG PRO 8 -3.875 -5.703 0.379
52 2HG PRO 8 2HG PRO 8 -3.546 -7.437 0.490
53 1HD PRO 8 1HD PRO 8 -2.319 -5.420 -1.348
54 2HD PRO 8 2HD PRO 8 -1.615 -6.820 -0.575
55 H GLY 9 H GLY 9 -6.592 -6.505 -3.338
56 1HA GLY 9 1HA GLY 9 -5.838 -4.956 -5.572
57 2HA GLY 9 2HA GLY 9 -7.370 -4.798 -4.710
58 H TRP 10 H TRP 10 -4.015 -3.726 -4.819
59 HA TRP 10 HA TRP 10 -4.763 -1.419 -3.137
60 1HB TRP 10 1HB TRP 10 -2.313 -3.162 -3.038
61 2HB TRP 10 2HB TRP 10 -2.345 -1.575 -2.284
62 HD1 TRP 10 HD1 TRP 10 -4.577 -4.649 -2.370
63 HE1 TRP 10 HE1 TRP 10 -5.523 -5.127 -0.029
64 HE3 TRP 10 HE3 TRP 10 -2.358 -0.837 0.146
65 HZ2 TRP 10 HZ2 TRP 10 -5.278 -4.064 2.560
66 HZ3 TRP 10 HZ3 TRP 10 -2.700 -0.691 2.576
67 HH2 TRP 10 HH2 TRP 10 -4.127 -2.253 3.728
68 H GLU 11 H GLU 11 -3.785 0.527 -3.499
69 HA GLU 11 HA GLU 11 -2.290 0.749 -6.024
70 1HB GLU 11 1HB GLU 11 -4.447 1.978 -5.973
71 2HB GLU 11 2HB GLU 11 -3.886 2.873 -4.567
72 1HG GLU 11 1HG GLU 11 -1.977 3.049 -6.711
73 2HG GLU 11 2HG GLU 11 -3.576 3.554 -7.250
74 H LYS 12 H LYS 12 -0.302 0.321 -5.128
75 HA LYS 12 HA LYS 12 0.648 2.124 -3.012
76 1HB LYS 12 1HB LYS 12 1.560 -0.594 -3.901
77 2HB LYS 12 2HB LYS 12 2.598 0.429 -2.940
78 1HG LYS 12 1HG LYS 12 1.470 -1.170 -1.565
79 2HG LYS 12 2HG LYS 12 0.938 0.450 -1.154
80 1HD LYS 12 1HD LYS 12 -0.816 -0.657 -3.153
81 2HD LYS 12 2HD LYS 12 -0.650 -1.767 -1.793
82 1HE LYS 12 1HE LYS 12 -1.294 -0.159 -0.244
83 2HE LYS 12 2HE LYS 12 -1.138 1.162 -1.402
84 1HZ LYS 12 1HZ LYS 12 -3.239 -0.924 -1.285
85 2HZ LYS 12 2HZ LYS 12 -3.004 0.041 -2.649
86 3HZ LYS 12 3HZ LYS 12 -3.429 0.752 -1.178
87 H ARG 13 H ARG 13 2.651 3.122 -3.236
88 HA ARG 13 HA ARG 13 3.924 3.080 -5.847
89 1HB ARG 13 1HB ARG 13 3.707 5.501 -6.212
90 2HB ARG 13 2HB ARG 13 2.148 4.689 -6.223
91 1HG ARG 13 1HG ARG 13 1.748 5.436 -3.926
92 2HG ARG 13 2HG ARG 13 3.307 6.265 -3.933
93 1HD ARG 13 1HD ARG 13 0.964 6.842 -5.743
94 2HD ARG 13 2HD ARG 13 1.501 7.830 -4.385
95 HE ARG 13 HE ARG 13 3.693 7.858 -5.833
96 1HH1 ARG 13 1HH1 ARG 13 0.390 8.108 -6.903
97 2HH1 ARG 13 2HH1 ARG 13 0.771 9.092 -8.276
98 1HH2 ARG 13 1HH2 ARG 13 4.209 9.152 -7.640
99 2HH2 ARG 13 2HH2 ARG 13 2.943 9.685 -8.695
100 H THR 14 H THR 14 5.972 4.023 -5.926
101 HA THR 14 HA THR 14 7.091 4.682 -3.285
102 HB THR 14 HB THR 14 7.941 2.531 -4.069
103 HG1 THR 14 HG1 THR 14 10.260 3.783 -4.507
104 1HG2 THR 14 1HG2 THR 14 9.270 2.343 -6.095
105 2HG2 THR 14 2HG2 THR 14 9.008 4.050 -6.452
106 3HG2 THR 14 3HG2 THR 14 7.652 2.922 -6.488
107 H ASP 15 H ASP 15 6.805 6.899 -3.546
108 HA ASP 15 HA ASP 15 8.168 8.228 -5.763
109 1HB ASP 15 1HB ASP 15 5.929 9.038 -5.155
110 2HB ASP 15 2HB ASP 15 6.473 9.344 -3.508
111 H SER 16 H SER 16 9.853 9.794 -5.372
112 HA SER 16 HA SER 16 11.852 8.999 -3.626
113 1HB SER 16 1HB SER 16 12.823 11.295 -3.895
114 2HB SER 16 2HB SER 16 12.311 10.607 -5.438
115 HG SER 16 HG SER 16 10.512 12.197 -3.993
116 H ASN 17 H ASN 17 8.946 10.686 -2.657
117 HA ASN 17 HA ASN 17 9.849 11.680 -0.231
118 1HB ASN 17 1HB ASN 17 7.604 9.624 -0.560
119 2HB ASN 17 2HB ASN 17 7.839 10.653 0.848
120 1HD2 ASN 17 1HD2 ASN 17 8.590 12.947 -0.812
121 2HD2 ASN 17 2HD2 ASN 17 7.113 13.544 -1.481
122 H GLY 18 H GLY 18 10.007 9.067 -2.066
123 1HA GLY 18 1HA GLY 18 11.042 7.135 -2.263
124 2HA GLY 18 2HA GLY 18 12.281 7.871 -1.286
125 H ARG 19 H ARG 19 9.054 6.659 -0.997
126 HA ARG 19 HA ARG 19 9.774 4.594 0.929
127 1HB ARG 19 1HB ARG 19 9.081 6.831 2.123
128 2HB ARG 19 2HB ARG 19 7.464 6.336 1.641
129 1HG ARG 19 1HG ARG 19 7.915 5.619 3.897
130 2HG ARG 19 2HG ARG 19 7.732 4.231 2.824
131 1HD ARG 19 1HD ARG 19 9.607 3.606 3.984
132 2HD ARG 19 2HD ARG 19 10.345 4.457 2.627
133 HE ARG 19 HE ARG 19 9.877 5.759 5.229
134 1HH1 ARG 19 1HH1 ARG 19 11.916 4.995 2.511
135 2HH1 ARG 19 2HH1 ARG 19 13.243 5.956 3.073
136 1HH2 ARG 19 1HH2 ARG 19 11.620 7.021 5.981
137 2HH2 ARG 19 2HH2 ARG 19 13.076 7.106 5.046
138 H VAL 20 H VAL 20 8.167 3.001 1.159
139 HA VAL 20 HA VAL 20 6.361 2.852 -1.148
140 HB VAL 20 HB VAL 20 6.232 0.446 -0.705
141 1HG1 VAL 20 1HG1 VAL 20 7.994 1.286 -2.170
142 2HG1 VAL 20 2HG1 VAL 20 8.535 -0.136 -1.279
143 3HG1 VAL 20 3HG1 VAL 20 9.068 1.470 -0.783
144 1HG2 VAL 20 1HG2 VAL 20 6.448 0.407 1.689
145 2HG2 VAL 20 2HG2 VAL 20 8.081 1.066 1.594
146 3HG2 VAL 20 3HG2 VAL 20 7.749 -0.557 0.989
147 H TYR 21 H TYR 21 4.489 3.826 -0.595
148 HA TYR 21 HA TYR 21 3.283 3.124 1.987
149 1HB TYR 21 1HB TYR 21 2.560 5.220 2.197
150 2HB TYR 21 2HB TYR 21 3.765 5.589 0.974
151 HD1 TYR 21 HD1 TYR 21 0.165 4.784 1.407
152 HD2 TYR 21 HD2 TYR 21 3.144 6.532 -1.081
153 HE1 TYR 21 HE1 TYR 21 -1.590 5.678 -0.060
154 HE2 TYR 21 HE2 TYR 21 1.395 7.430 -2.556
155 HH TYR 21 HH TYR 21 -0.938 6.977 -3.138
156 H PHE 22 H PHE 22 1.030 2.691 2.133
157 HA PHE 22 HA PHE 22 -0.054 1.531 -0.336
158 1HB PHE 22 1HB PHE 22 -0.159 0.558 2.504
159 2HB PHE 22 2HB PHE 22 -1.359 0.039 1.327
160 HD1 PHE 22 HD1 PHE 22 2.304 0.603 1.190
161 HD2 PHE 22 HD2 PHE 22 -0.915 -2.137 0.603
162 HE1 PHE 22 HE1 PHE 22 3.873 -1.067 0.325
163 HE2 PHE 22 HE2 PHE 22 0.659 -3.790 -0.251
164 HZ PHE 22 HZ PHE 22 3.031 -3.247 -0.394
165 H VAL 23 H VAL 23 -1.783 2.475 -1.106
166 HA VAL 23 HA VAL 23 -3.611 3.789 0.786
167 HB VAL 23 HB VAL 23 -2.686 5.446 -0.724
168 1HG1 VAL 23 1HG1 VAL 23 -1.974 4.198 -2.590
169 2HG1 VAL 23 2HG1 VAL 23 -3.242 5.272 -3.181
170 3HG1 VAL 23 3HG1 VAL 23 -3.596 3.570 -2.883
171 1HG2 VAL 23 1HG2 VAL 23 -4.765 6.310 -1.695
172 2HG2 VAL 23 2HG2 VAL 23 -5.003 5.713 -0.053
173 3HG2 VAL 23 3HG2 VAL 23 -5.530 4.743 -1.429
174 H ASN 24 H ASN 24 -4.968 2.166 1.217
175 HA ASN 24 HA ASN 24 -6.459 1.031 -1.058
176 1HB ASN 24 1HB ASN 24 -5.047 -0.676 0.068
177 2HB ASN 24 2HB ASN 24 -5.856 -0.315 1.590
178 1HD2 ASN 24 1HD2 ASN 24 -6.152 -1.779 -1.540
179 2HD2 ASN 24 2HD2 ASN 24 -7.614 -2.645 -1.224
180 H HIS 25 H HIS 25 -8.693 1.148 -0.904
181 HA HIS 25 HA HIS 25 -9.644 2.303 1.619
182 1HB HIS 25 1HB HIS 25 -10.589 3.108 -1.131
183 2HB HIS 25 2HB HIS 25 -11.163 3.758 0.401
184 HD1 HIS 25 HD1 HIS 25 -9.835 5.636 1.433
185 HD2 HIS 25 HD2 HIS 25 -7.907 3.885 -1.804
186 HE1 HIS 25 HE1 HIS 25 -7.873 7.127 0.933
187 HE2 HIS 25 HE2 HIS 25 -6.784 6.105 -1.095
188 H ASN 26 H ASN 26 -10.244 0.178 2.173
189 HA ASN 26 HA ASN 26 -12.657 -0.848 0.880
190 1HB ASN 26 1HB ASN 26 -11.212 -2.627 1.569
191 2HB ASN 26 2HB ASN 26 -10.881 -1.865 3.120
192 1HD2 ASN 26 1HD2 ASN 26 -14.075 -2.048 1.742
193 2HD2 ASN 26 2HD2 ASN 26 -14.716 -3.185 2.874
194 H THR 27 H THR 27 -11.847 -0.630 4.278
195 HA THR 27 HA THR 27 -14.230 0.955 4.827
196 HB THR 27 HB THR 27 -13.608 0.623 7.221
197 HG1 THR 27 HG1 THR 27 -11.738 -0.256 7.748
198 1HG2 THR 27 1HG2 THR 27 -14.054 -1.796 7.324
199 2HG2 THR 27 2HG2 THR 27 -13.724 -1.923 5.597
200 3HG2 THR 27 3HG2 THR 27 -15.106 -0.985 6.164
201 H ARG 28 H ARG 28 -11.055 1.044 6.346
202 HA ARG 28 HA ARG 28 -10.343 3.598 5.194
203 1HB ARG 28 1HB ARG 28 -11.795 4.202 7.121
204 2HB ARG 28 2HB ARG 28 -10.695 3.338 8.188
205 1HG ARG 28 1HG ARG 28 -10.311 5.745 8.245
206 2HG ARG 28 2HG ARG 28 -8.904 4.878 7.625
207 1HD ARG 28 1HD ARG 28 -9.388 6.907 6.326
208 2HD ARG 28 2HD ARG 28 -9.519 5.445 5.350
209 HE ARG 28 HE ARG 28 -12.055 5.818 6.118
210 1HH1 ARG 28 1HH1 ARG 28 -9.696 8.007 4.788
211 2HH1 ARG 28 2HH1 ARG 28 -10.873 8.997 3.991
212 1HH2 ARG 28 1HH2 ARG 28 -13.614 7.114 5.070
213 2HH2 ARG 28 2HH2 ARG 28 -13.100 8.490 4.151
214 H ILE 29 H ILE 29 -8.438 2.461 4.364
215 HA ILE 29 HA ILE 29 -6.564 1.757 6.538
216 HB ILE 29 HB ILE 29 -7.321 -0.311 5.558
217 1HG1 ILE 29 1HG1 ILE 29 -5.144 -1.236 4.829
218 2HG1 ILE 29 2HG1 ILE 29 -4.521 0.403 4.660
219 1HG2 ILE 29 1HG2 ILE 29 -6.935 -0.838 3.196
220 2HG2 ILE 29 2HG2 ILE 29 -6.373 0.812 2.928
221 3HG2 ILE 29 3HG2 ILE 29 -8.047 0.516 3.396
222 1HD1 ILE 29 1HD1 ILE 29 -3.779 -0.613 6.732
223 2HD1 ILE 29 2HD1 ILE 29 -5.453 -0.877 7.219
224 3HD1 ILE 29 3HD1 ILE 29 -4.831 0.765 7.052
225 H TPO 30 H TPO 30 -4.694 2.780 6.524
226 HA TPO 30 HA TPO 30 -3.442 3.593 4.028
227 HB TPO 30 HB TPO 30 -3.114 5.921 4.758
228 1HG2 TPO 30 1HG2 TPO 30 -4.985 5.375 3.268
229 2HG2 TPO 30 2HG2 TPO 30 -5.388 6.716 4.341
230 3HG2 TPO 30 3HG2 TPO 30 -6.021 5.104 4.670
231 H GLN 31 H GLN 31 -1.672 2.348 4.425
232 HA GLN 31 HA GLN 31 0.206 3.290 6.452
233 1HB GLN 31 1HB GLN 31 0.708 1.008 7.225
234 2HB GLN 31 2HB GLN 31 -0.943 1.459 7.602
235 1HG GLN 31 1HG GLN 31 -1.833 0.060 5.966
236 2HG GLN 31 2HG GLN 31 -0.286 -0.091 5.134
237 1HE2 GLN 31 1HE2 GLN 31 -2.078 -2.166 6.099
238 2HE2 GLN 31 2HE2 GLN 31 -1.158 -3.130 7.198
239 H TRP 32 H TRP 32 2.454 2.753 5.861
240 HA TRP 32 HA TRP 32 2.605 2.042 3.025
241 1HB TRP 32 1HB TRP 32 5.061 2.521 4.633
242 2HB TRP 32 2HB TRP 32 4.658 3.064 3.009
243 HD1 TRP 32 HD1 TRP 32 2.874 3.859 6.380
244 HE1 TRP 32 HE1 TRP 32 2.716 6.419 6.588
245 HE3 TRP 32 HE3 TRP 32 5.389 5.159 2.141
246 HZ2 TRP 32 HZ2 TRP 32 3.560 8.695 5.139
247 HZ3 TRP 32 HZ3 TRP 32 5.667 7.530 1.619
248 HH2 TRP 32 HH2 TRP 32 4.779 9.273 3.083
249 H GLU 33 H GLU 33 1.848 -0.191 3.629
250 HA GLU 33 HA GLU 33 4.155 -1.909 3.727
251 1HB GLU 33 1HB GLU 33 3.755 -1.682 6.110
252 2HB GLU 33 2HB GLU 33 2.074 -2.169 5.890
253 1HG GLU 33 1HG GLU 33 3.225 -4.247 4.715
254 2HG GLU 33 2HG GLU 33 4.551 -3.791 5.791
255 H ASP 34 H ASP 34 3.789 -4.060 3.005
256 HA ASP 34 HA ASP 34 1.546 -4.444 1.304
257 1HB ASP 34 1HB ASP 34 2.285 -6.763 1.121
258 2HB ASP 34 2HB ASP 34 3.705 -5.722 1.093
259 HA PRO 35 HA PRO 35 -1.186 -5.344 4.718
260 1HB PRO 35 1HB PRO 35 -3.349 -5.849 2.903
261 2HB PRO 35 2HB PRO 35 -2.980 -4.360 3.779
262 1HG PRO 35 1HG PRO 35 -2.822 -4.535 1.080
263 2HG PRO 35 2HG PRO 35 -1.775 -3.469 2.027
264 1HD PRO 35 1HD PRO 35 -1.190 -6.276 1.092
265 2HD PRO 35 2HD PRO 35 -0.228 -4.816 0.796
266 H ARG 36 H ARG 36 0.342 -7.676 3.612
267 HA ARG 36 HA ARG 36 -0.956 -9.917 2.944
268 1HB ARG 36 1HB ARG 36 1.384 -10.013 3.441
269 2HB ARG 36 2HB ARG 36 1.102 -9.617 5.131
270 1HG ARG 36 1HG ARG 36 1.634 -11.994 4.763
271 2HG ARG 36 2HG ARG 36 0.053 -11.748 5.508
272 1HD ARG 36 1HD ARG 36 -1.030 -12.063 3.352
273 2HD ARG 36 2HD ARG 36 0.542 -12.250 2.574
274 HE ARG 36 HE ARG 36 0.428 -14.158 4.571
275 1HH1 ARG 36 1HH1 ARG 36 -1.355 -13.374 1.685
276 2HH1 ARG 36 2HH1 ARG 36 -1.796 -15.016 1.355
277 1HH2 ARG 36 1HH2 ARG 36 -0.147 -16.325 4.145
278 2HH2 ARG 36 2HH2 ARG 36 -1.109 -16.693 2.754
279 H SER 37 H SER 37 -0.498 -9.278 6.421
280 HA SER 37 HA SER 37 -2.462 -11.058 7.285
281 1HB SER 37 1HB SER 37 -2.344 -9.862 9.444
282 2HB SER 37 2HB SER 37 -0.739 -10.171 8.783
283 HG SER 37 HG SER 37 -0.673 -8.076 9.352
Start of MODEL 4
1 1H GLY 1 1H GLY 1 3.983 -12.847 -11.104
2 2H GLY 1 2H GLY 1 5.236 -12.733 -12.236
3 3H GLY 1 3H GLY 1 3.677 -13.154 -12.739
4 1HA GLY 1 1HA GLY 1 4.135 -10.863 -13.308
5 2HA GLY 1 2HA GLY 1 2.843 -10.979 -12.124
6 H ALA 2 H ALA 2 4.691 -11.625 -9.936
7 HA ALA 2 HA ALA 2 5.991 -10.602 -8.366
8 1HB ALA 2 1HB ALA 2 7.582 -10.205 -10.185
9 2HB ALA 2 2HB ALA 2 7.565 -8.869 -9.034
10 3HB ALA 2 3HB ALA 2 6.744 -8.707 -10.587
11 H MET 3 H MET 3 4.852 -7.903 -10.393
12 HA MET 3 HA MET 3 3.783 -5.968 -9.885
13 1HB MET 3 1HB MET 3 1.721 -6.222 -8.511
14 2HB MET 3 2HB MET 3 1.856 -7.385 -9.821
15 1HG MET 3 1HG MET 3 1.030 -8.520 -7.908
16 2HG MET 3 2HG MET 3 2.690 -9.047 -8.175
17 1HE MET 3 1HE MET 3 2.681 -10.070 -5.685
18 2HE MET 3 2HE MET 3 1.027 -9.495 -5.476
19 3HE MET 3 3HE MET 3 2.249 -9.126 -4.259
20 H GLY 4 H GLY 4 3.880 -4.207 -8.583
21 1HA GLY 4 1HA GLY 4 5.800 -4.161 -6.534
22 2HA GLY 4 2HA GLY 4 4.671 -2.870 -6.902
23 HA PRO 5 HA PRO 5 4.072 -4.616 -2.485
24 1HB PRO 5 1HB PRO 5 3.668 -1.675 -2.287
25 2HB PRO 5 2HB PRO 5 4.418 -2.795 -1.145
26 1HG PRO 5 1HG PRO 5 5.914 -1.207 -2.676
27 2HG PRO 5 2HG PRO 5 6.414 -2.869 -2.314
28 1HD PRO 5 1HD PRO 5 5.332 -1.727 -4.835
29 2HD PRO 5 2HD PRO 5 6.451 -3.081 -4.592
30 H LEU 6 H LEU 6 2.251 -5.348 -4.021
31 HA LEU 6 HA LEU 6 -0.158 -4.326 -2.819
32 1HB LEU 6 1HB LEU 6 -0.115 -4.499 -5.828
33 2HB LEU 6 2HB LEU 6 -1.403 -3.903 -4.818
34 HG LEU 6 HG LEU 6 -0.108 -1.925 -4.265
35 1HD1 LEU 6 1HD1 LEU 6 2.043 -3.479 -5.489
36 2HD1 LEU 6 2HD1 LEU 6 2.080 -2.226 -4.248
37 3HD1 LEU 6 3HD1 LEU 6 1.995 -1.776 -5.950
38 1HD2 LEU 6 1HD2 LEU 6 0.085 -2.281 -7.241
39 2HD2 LEU 6 2HD2 LEU 6 -0.303 -0.823 -6.329
40 3HD2 LEU 6 3HD2 LEU 6 -1.467 -2.141 -6.425
41 HA PRO 7 HA PRO 7 0.054 -8.839 -3.249
42 1HB PRO 7 1HB PRO 7 -1.156 -8.585 -0.585
43 2HB PRO 7 2HB PRO 7 0.213 -9.600 -1.086
44 1HG PRO 7 1HG PRO 7 0.653 -7.419 0.375
45 2HG PRO 7 2HG PRO 7 1.729 -7.801 -0.986
46 1HD PRO 7 1HD PRO 7 -0.571 -5.864 -0.894
47 2HD PRO 7 2HD PRO 7 1.055 -5.594 -1.538
48 HA PRO 8 HA PRO 8 -4.670 -8.680 -2.705
49 1HB PRO 8 1HB PRO 8 -5.384 -6.471 -1.049
50 2HB PRO 8 2HB PRO 8 -5.356 -8.175 -0.575
51 1HG PRO 8 1HG PRO 8 -3.694 -6.179 0.422
52 2HG PRO 8 2HG PRO 8 -3.380 -7.918 0.523
53 1HD PRO 8 1HD PRO 8 -2.271 -5.936 -1.438
54 2HD PRO 8 2HD PRO 8 -1.496 -7.289 -0.649
55 H GLY 9 H GLY 9 -6.597 -6.977 -3.208
56 1HA GLY 9 1HA GLY 9 -5.842 -5.458 -5.470
57 2HA GLY 9 2HA GLY 9 -7.365 -5.275 -4.595
58 H TRP 10 H TRP 10 -4.062 -4.150 -4.889
59 HA TRP 10 HA TRP 10 -4.718 -1.909 -3.090
60 1HB TRP 10 1HB TRP 10 -2.278 -3.658 -3.150
61 2HB TRP 10 2HB TRP 10 -2.242 -2.077 -2.383
62 HD1 TRP 10 HD1 TRP 10 -4.472 -5.147 -2.367
63 HE1 TRP 10 HE1 TRP 10 -5.323 -5.637 0.005
64 HE3 TRP 10 HE3 TRP 10 -2.185 -1.338 0.083
65 HZ2 TRP 10 HZ2 TRP 10 -4.972 -4.610 2.582
66 HZ3 TRP 10 HZ3 TRP 10 -2.412 -1.231 2.533
67 HH2 TRP 10 HH2 TRP 10 -3.782 -2.812 3.725
68 H GLU 11 H GLU 11 -3.781 0.045 -3.436
69 HA GLU 11 HA GLU 11 -2.410 0.377 -6.020
70 1HB GLU 11 1HB GLU 11 -4.599 1.574 -5.765
71 2HB GLU 11 2HB GLU 11 -3.908 2.464 -4.415
72 1HG GLU 11 1HG GLU 11 -3.569 2.845 -7.291
73 2HG GLU 11 2HG GLU 11 -3.417 3.987 -5.961
74 H LYS 12 H LYS 12 -0.368 -0.044 -5.237
75 HA LYS 12 HA LYS 12 0.628 1.705 -3.096
76 1HB LYS 12 1HB LYS 12 1.408 -1.038 -3.984
77 2HB LYS 12 2HB LYS 12 2.572 -0.047 -3.129
78 1HG LYS 12 1HG LYS 12 1.512 -1.446 -1.550
79 2HG LYS 12 2HG LYS 12 0.907 0.186 -1.293
80 1HD LYS 12 1HD LYS 12 -0.811 -1.110 -3.168
81 2HD LYS 12 2HD LYS 12 -0.568 -2.171 -1.779
82 1HE LYS 12 1HE LYS 12 -1.248 -0.544 -0.271
83 2HE LYS 12 2HE LYS 12 -1.186 0.741 -1.475
84 1HZ LYS 12 1HZ LYS 12 -3.030 -0.434 -2.638
85 2HZ LYS 12 2HZ LYS 12 -3.455 0.185 -1.124
86 3HZ LYS 12 3HZ LYS 12 -3.159 -1.466 -1.308
87 H ARG 13 H ARG 13 2.600 2.714 -3.305
88 HA ARG 13 HA ARG 13 3.897 2.696 -5.913
89 1HB ARG 13 1HB ARG 13 3.721 5.068 -6.258
90 2HB ARG 13 2HB ARG 13 2.100 4.421 -6.038
91 1HG ARG 13 1HG ARG 13 2.057 5.213 -3.754
92 2HG ARG 13 2HG ARG 13 3.717 5.791 -3.901
93 1HD ARG 13 1HD ARG 13 1.332 6.779 -5.459
94 2HD ARG 13 2HD ARG 13 2.144 7.627 -4.143
95 HE ARG 13 HE ARG 13 3.909 6.964 -6.298
96 1HH1 ARG 13 1HH1 ARG 13 1.554 9.264 -5.167
97 2HH1 ARG 13 2HH1 ARG 13 2.176 10.568 -6.125
98 1HH2 ARG 13 1HH2 ARG 13 4.737 8.671 -7.563
99 2HH2 ARG 13 2HH2 ARG 13 3.985 10.229 -7.488
100 H THR 14 H THR 14 6.006 3.445 -5.895
101 HA THR 14 HA THR 14 7.104 4.085 -3.241
102 HB THR 14 HB THR 14 9.181 2.903 -3.902
103 HG1 THR 14 HG1 THR 14 9.367 2.376 -5.936
104 1HG2 THR 14 1HG2 THR 14 8.313 0.624 -3.625
105 2HG2 THR 14 2HG2 THR 14 6.686 1.202 -3.987
106 3HG2 THR 14 3HG2 THR 14 7.514 1.756 -2.532
107 H ASP 15 H ASP 15 7.063 6.278 -3.650
108 HA ASP 15 HA ASP 15 8.527 7.335 -5.936
109 1HB ASP 15 1HB ASP 15 6.372 8.357 -5.270
110 2HB ASP 15 2HB ASP 15 7.062 8.766 -3.701
111 H SER 16 H SER 16 10.352 8.733 -5.696
112 HA SER 16 HA SER 16 12.298 7.891 -3.860
113 1HB SER 16 1HB SER 16 12.631 9.290 -6.019
114 2HB SER 16 2HB SER 16 12.250 10.698 -5.034
115 HG SER 16 HG SER 16 14.350 8.847 -4.565
116 H ASN 17 H ASN 17 9.649 10.080 -3.225
117 HA ASN 17 HA ASN 17 10.662 11.324 -0.968
118 1HB ASN 17 1HB ASN 17 8.174 9.538 -1.040
119 2HB ASN 17 2HB ASN 17 8.544 10.693 0.237
120 1HD2 ASN 17 1HD2 ASN 17 7.432 10.262 -3.010
121 2HD2 ASN 17 2HD2 ASN 17 6.877 11.880 -3.257
122 H GLY 18 H GLY 18 10.484 8.448 -2.347
123 1HA GLY 18 1HA GLY 18 11.310 6.415 -2.238
124 2HA GLY 18 2HA GLY 18 12.614 7.138 -1.343
125 H ARG 19 H ARG 19 9.257 6.382 -0.958
126 HA ARG 19 HA ARG 19 9.759 4.661 1.369
127 1HB ARG 19 1HB ARG 19 8.684 7.236 1.597
128 2HB ARG 19 2HB ARG 19 7.295 6.162 1.667
129 1HG ARG 19 1HG ARG 19 8.153 6.654 3.887
130 2HG ARG 19 2HG ARG 19 8.307 4.938 3.504
131 1HD ARG 19 1HD ARG 19 10.672 6.198 2.624
132 2HD ARG 19 2HD ARG 19 10.337 6.813 4.241
133 HE ARG 19 HE ARG 19 10.030 4.180 4.590
134 1HH1 ARG 19 1HH1 ARG 19 12.528 6.027 3.021
135 2HH1 ARG 19 2HH1 ARG 19 13.780 4.884 3.378
136 1HH2 ARG 19 1HH2 ARG 19 11.670 2.666 5.067
137 2HH2 ARG 19 2HH2 ARG 19 13.292 2.973 4.541
138 H VAL 20 H VAL 20 8.197 3.027 1.654
139 HA VAL 20 HA VAL 20 6.572 2.515 -0.738
140 HB VAL 20 HB VAL 20 6.469 0.186 0.027
141 1HG1 VAL 20 1HG1 VAL 20 8.305 0.865 -1.426
142 2HG1 VAL 20 2HG1 VAL 20 8.826 -0.390 -0.301
143 3HG1 VAL 20 3HG1 VAL 20 9.276 1.291 -0.016
144 1HG2 VAL 20 1HG2 VAL 20 6.524 0.522 2.418
145 2HG2 VAL 20 2HG2 VAL 20 8.163 1.166 2.323
146 3HG2 VAL 20 3HG2 VAL 20 7.859 -0.530 1.945
147 H TYR 21 H TYR 21 4.552 3.331 -0.505
148 HA TYR 21 HA TYR 21 3.231 2.825 2.074
149 1HB TYR 21 1HB TYR 21 2.355 4.917 2.152
150 2HB TYR 21 2HB TYR 21 3.831 5.258 1.272
151 HD1 TYR 21 HD1 TYR 21 0.198 4.624 0.777
152 HD2 TYR 21 HD2 TYR 21 3.790 6.270 -0.824
153 HE1 TYR 21 HE1 TYR 21 -1.083 5.658 -1.053
154 HE2 TYR 21 HE2 TYR 21 2.509 7.310 -2.641
155 HH TYR 21 HH TYR 21 -0.848 7.580 -2.607
156 H PHE 22 H PHE 22 0.987 2.404 2.082
157 HA PHE 22 HA PHE 22 -0.006 1.237 -0.427
158 1HB PHE 22 1HB PHE 22 -0.112 0.195 2.396
159 2HB PHE 22 2HB PHE 22 -1.285 -0.329 1.200
160 HD1 PHE 22 HD1 PHE 22 2.362 0.326 0.957
161 HD2 PHE 22 HD2 PHE 22 -0.765 -2.562 0.626
162 HE1 PHE 22 HE1 PHE 22 3.962 -1.338 0.161
163 HE2 PHE 22 HE2 PHE 22 0.838 -4.196 -0.168
164 HZ PHE 22 HZ PHE 22 3.175 -3.579 -0.395
165 H VAL 23 H VAL 23 -1.995 1.814 -1.073
166 HA VAL 23 HA VAL 23 -3.696 3.206 0.879
167 HB VAL 23 HB VAL 23 -4.693 4.359 -1.217
168 1HG1 VAL 23 1HG1 VAL 23 -3.634 5.612 0.513
169 2HG1 VAL 23 2HG1 VAL 23 -2.983 6.176 -1.027
170 3HG1 VAL 23 3HG1 VAL 23 -2.034 5.091 -0.011
171 1HG2 VAL 23 1HG2 VAL 23 -3.068 4.791 -2.993
172 2HG2 VAL 23 2HG2 VAL 23 -3.467 3.076 -2.882
173 3HG2 VAL 23 3HG2 VAL 23 -1.939 3.670 -2.232
174 H ASN 24 H ASN 24 -5.098 1.705 1.430
175 HA ASN 24 HA ASN 24 -6.508 0.247 -0.703
176 1HB ASN 24 1HB ASN 24 -7.132 -1.370 1.106
177 2HB ASN 24 2HB ASN 24 -5.401 -1.294 0.799
178 1HD2 ASN 24 1HD2 ASN 24 -4.057 -0.265 2.308
179 2HD2 ASN 24 2HD2 ASN 24 -4.561 -0.021 3.942
180 H HIS 25 H HIS 25 -8.567 0.874 -1.053
181 HA HIS 25 HA HIS 25 -9.818 2.381 1.125
182 1HB HIS 25 1HB HIS 25 -10.041 2.808 -1.850
183 2HB HIS 25 2HB HIS 25 -11.094 3.585 -0.673
184 HD1 HIS 25 HD1 HIS 25 -10.143 5.548 0.648
185 HD2 HIS 25 HD2 HIS 25 -7.367 3.743 -1.860
186 HE1 HIS 25 HE1 HIS 25 -8.166 7.100 0.607
187 HE2 HIS 25 HE2 HIS 25 -6.550 6.046 -1.014
188 H ASN 26 H ASN 26 -10.666 0.434 1.885
189 HA ASN 26 HA ASN 26 -12.929 -0.670 0.405
190 1HB ASN 26 1HB ASN 26 -13.197 -2.059 2.540
191 2HB ASN 26 2HB ASN 26 -11.712 -2.346 1.639
192 1HD2 ASN 26 1HD2 ASN 26 -9.761 -1.385 2.414
193 2HD2 ASN 26 2HD2 ASN 26 -9.578 -1.031 4.095
194 H THR 27 H THR 27 -12.640 0.134 3.801
195 HA THR 27 HA THR 27 -14.952 1.903 3.647
196 HB THR 27 HB THR 27 -13.332 0.992 6.049
197 HG1 THR 27 HG1 THR 27 -15.202 -0.300 6.455
198 1HG2 THR 27 1HG2 THR 27 -15.171 1.924 7.385
199 2HG2 THR 27 2HG2 THR 27 -15.935 2.522 5.912
200 3HG2 THR 27 3HG2 THR 27 -14.376 3.170 6.422
201 H ARG 28 H ARG 28 -12.072 2.143 5.654
202 HA ARG 28 HA ARG 28 -10.978 4.387 4.194
203 1HB ARG 28 1HB ARG 28 -10.978 5.887 6.163
204 2HB ARG 28 2HB ARG 28 -12.599 5.535 5.583
205 1HG ARG 28 1HG ARG 28 -12.076 3.578 7.496
206 2HG ARG 28 2HG ARG 28 -11.441 5.079 8.174
207 1HD ARG 28 1HD ARG 28 -14.231 4.602 7.131
208 2HD ARG 28 2HD ARG 28 -13.756 4.802 8.818
209 HE ARG 28 HE ARG 28 -12.912 7.077 7.498
210 1HH1 ARG 28 1HH1 ARG 28 -15.931 5.460 8.127
211 2HH1 ARG 28 2HH1 ARG 28 -16.865 6.918 8.117
212 1HH2 ARG 28 1HH2 ARG 28 -14.133 9.005 7.481
213 2HH2 ARG 28 2HH2 ARG 28 -15.842 8.934 7.750
214 H ILE 29 H ILE 29 -9.044 3.009 3.961
215 HA ILE 29 HA ILE 29 -7.498 2.956 6.453
216 HB ILE 29 HB ILE 29 -7.986 0.489 4.795
217 1HG1 ILE 29 1HG1 ILE 29 -9.799 1.061 6.363
218 2HG1 ILE 29 2HG1 ILE 29 -8.960 -0.408 6.851
219 1HG2 ILE 29 1HG2 ILE 29 -6.514 -0.650 6.392
220 2HG2 ILE 29 2HG2 ILE 29 -6.153 0.899 7.153
221 3HG2 ILE 29 3HG2 ILE 29 -5.660 0.600 5.487
222 1HD1 ILE 29 1HD1 ILE 29 -7.733 0.829 8.536
223 2HD1 ILE 29 2HD1 ILE 29 -9.471 1.045 8.746
224 3HD1 ILE 29 3HD1 ILE 29 -8.505 2.328 8.018
225 H TPO 30 H TPO 30 -5.377 3.325 6.232
226 HA TPO 30 HA TPO 30 -4.014 2.797 3.722
227 HB TPO 30 HB TPO 30 -3.809 5.581 4.850
228 1HG2 TPO 30 1HG2 TPO 30 -1.976 4.815 3.426
229 2HG2 TPO 30 2HG2 TPO 30 -2.909 6.077 2.623
230 3HG2 TPO 30 3HG2 TPO 30 -3.128 4.389 2.159
231 H GLN 31 H GLN 31 -2.060 2.023 4.117
232 HA GLN 31 HA GLN 31 -0.453 2.944 6.368
233 1HB GLN 31 1HB GLN 31 0.031 0.406 6.816
234 2HB GLN 31 2HB GLN 31 -1.355 1.174 7.555
235 1HG GLN 31 1HG GLN 31 -2.420 -0.643 6.778
236 2HG GLN 31 2HG GLN 31 -2.502 0.314 5.301
237 1HE2 GLN 31 1HE2 GLN 31 0.429 -0.008 4.908
238 2HE2 GLN 31 2HE2 GLN 31 0.626 -1.605 4.284
239 H TRP 32 H TRP 32 1.852 2.463 6.042
240 HA TRP 32 HA TRP 32 2.360 1.843 3.223
241 1HB TRP 32 1HB TRP 32 4.547 2.441 5.154
242 2HB TRP 32 2HB TRP 32 4.367 2.941 3.478
243 HD1 TRP 32 HD1 TRP 32 2.018 3.676 6.498
244 HE1 TRP 32 HE1 TRP 32 1.701 6.227 6.627
245 HE3 TRP 32 HE3 TRP 32 5.155 5.056 2.729
246 HZ2 TRP 32 HZ2 TRP 32 2.667 8.529 5.298
247 HZ3 TRP 32 HZ3 TRP 32 5.394 7.433 2.207
248 HH2 TRP 32 HH2 TRP 32 4.189 9.145 3.467
249 H GLU 33 H GLU 33 1.665 -0.444 3.704
250 HA GLU 33 HA GLU 33 4.061 -2.018 3.968
251 1HB GLU 33 1HB GLU 33 3.481 -1.937 6.296
252 2HB GLU 33 2HB GLU 33 1.823 -2.424 5.938
253 1HG GLU 33 1HG GLU 33 3.096 -4.444 4.764
254 2HG GLU 33 2HG GLU 33 4.306 -4.029 5.986
255 H ASP 34 H ASP 34 3.916 -4.151 3.135
256 HA ASP 34 HA ASP 34 1.809 -4.649 1.277
257 1HB ASP 34 1HB ASP 34 2.761 -7.032 1.314
258 2HB ASP 34 2HB ASP 34 3.889 -5.764 0.840
259 HA PRO 35 HA PRO 35 -0.894 -6.034 4.554
260 1HB PRO 35 1HB PRO 35 -3.045 -6.396 2.732
261 2HB PRO 35 2HB PRO 35 -2.662 -4.953 3.675
262 1HG PRO 35 1HG PRO 35 -2.536 -5.031 0.951
263 2HG PRO 35 2HG PRO 35 -1.534 -3.957 1.936
264 1HD PRO 35 1HD PRO 35 -0.835 -6.707 0.913
265 2HD PRO 35 2HD PRO 35 0.067 -5.206 0.664
266 H ARG 36 H ARG 36 0.456 -8.121 2.462
267 HA ARG 36 HA ARG 36 -0.919 -10.270 1.836
268 1HB ARG 36 1HB ARG 36 0.943 -11.631 2.186
269 2HB ARG 36 2HB ARG 36 1.636 -10.024 2.037
270 1HG ARG 36 1HG ARG 36 1.014 -11.272 4.696
271 2HG ARG 36 2HG ARG 36 2.556 -11.498 3.871
272 1HD ARG 36 1HD ARG 36 2.831 -9.708 5.414
273 2HD ARG 36 2HD ARG 36 2.781 -9.008 3.796
274 HE ARG 36 HE ARG 36 0.261 -8.721 4.472
275 1HH1 ARG 36 1HH1 ARG 36 3.098 -8.214 6.423
276 2HH1 ARG 36 2HH1 ARG 36 2.356 -7.002 7.414
277 1HH2 ARG 36 1HH2 ARG 36 -0.727 -7.132 5.768
278 2HH2 ARG 36 2HH2 ARG 36 0.181 -6.387 7.041
279 H SER 37 H SER 37 0.056 -9.734 5.221
280 HA SER 37 HA SER 37 -2.422 -10.848 6.166
281 1HB SER 37 1HB SER 37 -1.365 -12.631 7.520
282 2HB SER 37 2HB SER 37 -1.161 -12.908 5.790
283 HG SER 37 HG SER 37 0.745 -13.100 7.314
Start of MODEL 5
1 1H GLY 1 1H GLY 1 1.248 -7.145 -10.649
2 2H GLY 1 2H GLY 1 2.427 -6.218 -9.865
3 3H GLY 1 3H GLY 1 0.794 -5.798 -9.730
4 1HA GLY 1 1HA GLY 1 1.549 -6.866 -7.708
5 2HA GLY 1 2HA GLY 1 0.324 -7.829 -8.521
6 H ALA 2 H ALA 2 0.888 -9.792 -9.461
7 HA ALA 2 HA ALA 2 2.016 -11.762 -9.631
8 1HB ALA 2 1HB ALA 2 3.433 -10.445 -11.131
9 2HB ALA 2 2HB ALA 2 4.369 -11.658 -10.258
10 3HB ALA 2 3HB ALA 2 4.438 -9.967 -9.762
11 H MET 3 H MET 3 4.502 -9.949 -7.864
12 HA MET 3 HA MET 3 3.883 -11.199 -5.358
13 1HB MET 3 1HB MET 3 5.987 -12.439 -5.126
14 2HB MET 3 2HB MET 3 5.020 -13.064 -6.454
15 1HG MET 3 1HG MET 3 6.416 -11.776 -8.029
16 2HG MET 3 2HG MET 3 7.418 -11.259 -6.674
17 1HE MET 3 1HE MET 3 8.797 -13.003 -5.135
18 2HE MET 3 2HE MET 3 8.820 -14.740 -5.437
19 3HE MET 3 3HE MET 3 7.331 -13.957 -4.909
20 H GLY 4 H GLY 4 3.874 -9.147 -4.507
21 1HA GLY 4 1HA GLY 4 5.979 -8.069 -3.249
22 2HA GLY 4 2HA GLY 4 6.179 -7.417 -4.867
23 HA PRO 5 HA PRO 5 4.043 -4.132 -2.261
24 1HB PRO 5 1HB PRO 5 4.638 -3.071 -5.006
25 2HB PRO 5 2HB PRO 5 4.714 -2.244 -3.446
26 1HG PRO 5 1HG PRO 5 6.910 -3.258 -4.689
27 2HG PRO 5 2HG PRO 5 6.767 -3.119 -2.930
28 1HD PRO 5 1HD PRO 5 6.853 -5.521 -4.563
29 2HD PRO 5 2HD PRO 5 6.898 -5.375 -2.796
30 H LEU 6 H LEU 6 2.051 -3.155 -2.543
31 HA LEU 6 HA LEU 6 -0.185 -3.446 -2.865
32 1HB LEU 6 1HB LEU 6 -0.037 -3.167 -5.757
33 2HB LEU 6 2HB LEU 6 -0.801 -2.139 -4.570
34 HG LEU 6 HG LEU 6 0.717 -0.607 -4.991
35 1HD1 LEU 6 1HD1 LEU 6 2.982 -2.404 -4.255
36 2HD1 LEU 6 2HD1 LEU 6 1.843 -1.822 -3.042
37 3HD1 LEU 6 3HD1 LEU 6 2.801 -0.673 -3.978
38 1HD2 LEU 6 1HD2 LEU 6 2.219 -2.687 -6.571
39 2HD2 LEU 6 2HD2 LEU 6 2.544 -0.953 -6.597
40 3HD2 LEU 6 3HD2 LEU 6 1.004 -1.570 -7.192
41 HA PRO 7 HA PRO 7 -0.041 -7.770 -4.229
42 1HB PRO 7 1HB PRO 7 -1.487 -8.099 -1.715
43 2HB PRO 7 2HB PRO 7 -0.046 -8.967 -2.282
44 1HG PRO 7 1HG PRO 7 0.144 -7.165 -0.314
45 2HG PRO 7 2HG PRO 7 1.404 -7.271 -1.563
46 1HD PRO 7 1HD PRO 7 -0.909 -5.356 -1.381
47 2HD PRO 7 2HD PRO 7 0.786 -4.988 -1.714
48 HA PRO 8 HA PRO 8 -4.790 -7.692 -3.925
49 1HB PRO 8 1HB PRO 8 -5.625 -5.715 -2.037
50 2HB PRO 8 2HB PRO 8 -5.672 -7.469 -1.832
51 1HG PRO 8 1HG PRO 8 -4.063 -5.694 -0.413
52 2HG PRO 8 2HG PRO 8 -3.821 -7.442 -0.524
53 1HD PRO 8 1HD PRO 8 -2.420 -5.265 -2.020
54 2HD PRO 8 2HD PRO 8 -1.821 -6.796 -1.430
55 H GLY 9 H GLY 9 -6.661 -6.061 -4.481
56 1HA GLY 9 1HA GLY 9 -5.769 -4.219 -6.410
57 2HA GLY 9 2HA GLY 9 -7.382 -4.223 -5.696
58 H TRP 10 H TRP 10 -4.070 -3.102 -5.256
59 HA TRP 10 HA TRP 10 -5.064 -1.059 -3.369
60 1HB TRP 10 1HB TRP 10 -2.477 -2.601 -3.468
61 2HB TRP 10 2HB TRP 10 -2.641 -1.125 -2.530
62 HD1 TRP 10 HD1 TRP 10 -4.671 -4.290 -2.978
63 HE1 TRP 10 HE1 TRP 10 -5.586 -5.063 -0.697
64 HE3 TRP 10 HE3 TRP 10 -2.547 -0.727 -0.075
65 HZ2 TRP 10 HZ2 TRP 10 -5.331 -4.287 2.005
66 HZ3 TRP 10 HZ3 TRP 10 -2.848 -0.859 2.358
67 HH2 TRP 10 HH2 TRP 10 -4.205 -2.580 3.352
68 H GLU 11 H GLU 11 -4.283 1.003 -3.446
69 HA GLU 11 HA GLU 11 -2.925 1.737 -5.945
70 1HB GLU 11 1HB GLU 11 -5.104 2.825 -5.561
71 2HB GLU 11 2HB GLU 11 -4.526 3.445 -4.021
72 1HG GLU 11 1HG GLU 11 -2.884 4.812 -5.144
73 2HG GLU 11 2HG GLU 11 -3.351 4.136 -6.704
74 H LYS 12 H LYS 12 -0.865 1.226 -5.264
75 HA LYS 12 HA LYS 12 0.224 2.739 -2.990
76 1HB LYS 12 1HB LYS 12 1.141 0.242 -4.377
77 2HB LYS 12 2HB LYS 12 2.195 1.123 -3.297
78 1HG LYS 12 1HG LYS 12 1.181 -0.746 -2.190
79 2HG LYS 12 2HG LYS 12 0.649 0.756 -1.456
80 1HD LYS 12 1HD LYS 12 -1.205 -0.006 -3.521
81 2HD LYS 12 2HD LYS 12 -0.939 -1.342 -2.399
82 1HE LYS 12 1HE LYS 12 -1.455 -0.033 -0.538
83 2HE LYS 12 2HE LYS 12 -1.433 1.461 -1.469
84 1HZ LYS 12 1HZ LYS 12 -3.494 -0.657 -1.456
85 2HZ LYS 12 2HZ LYS 12 -3.378 0.443 -2.731
86 3HZ LYS 12 3HZ LYS 12 -3.680 0.998 -1.164
87 H ARG 13 H ARG 13 2.188 3.803 -3.226
88 HA ARG 13 HA ARG 13 3.141 4.246 -5.951
89 1HB ARG 13 1HB ARG 13 1.632 6.015 -5.909
90 2HB ARG 13 2HB ARG 13 1.915 6.350 -4.209
91 1HG ARG 13 1HG ARG 13 2.846 8.089 -5.634
92 2HG ARG 13 2HG ARG 13 4.111 7.251 -4.735
93 1HD ARG 13 1HD ARG 13 4.792 7.620 -7.037
94 2HD ARG 13 2HD ARG 13 4.612 5.897 -6.710
95 HE ARG 13 HE ARG 13 2.197 6.655 -7.733
96 1HH1 ARG 13 1HH1 ARG 13 5.503 6.868 -8.811
97 2HH1 ARG 13 2HH1 ARG 13 5.098 6.760 -10.491
98 1HH2 ARG 13 1HH2 ARG 13 1.653 6.513 -9.941
99 2HH2 ARG 13 2HH2 ARG 13 2.907 6.560 -11.134
100 H THR 14 H THR 14 5.241 4.848 -6.134
101 HA THR 14 HA THR 14 6.767 5.025 -3.621
102 HB THR 14 HB THR 14 8.652 3.969 -4.753
103 HG1 THR 14 HG1 THR 14 6.875 3.860 -6.980
104 1HG2 THR 14 1HG2 THR 14 6.099 2.393 -5.096
105 2HG2 THR 14 2HG2 THR 14 7.049 2.518 -3.615
106 3HG2 THR 14 3HG2 THR 14 7.726 1.716 -5.031
107 H ASP 15 H ASP 15 6.715 7.263 -3.567
108 HA ASP 15 HA ASP 15 8.080 8.683 -5.752
109 1HB ASP 15 1HB ASP 15 5.825 9.514 -5.158
110 2HB ASP 15 2HB ASP 15 6.367 9.775 -3.502
111 H SER 16 H SER 16 9.794 10.154 -5.216
112 HA SER 16 HA SER 16 11.701 9.226 -3.433
113 1HB SER 16 1HB SER 16 11.973 11.055 -5.239
114 2HB SER 16 2HB SER 16 11.374 12.192 -4.035
115 HG SER 16 HG SER 16 13.403 10.531 -3.175
116 H ASN 17 H ASN 17 8.801 10.933 -2.534
117 HA ASN 17 HA ASN 17 9.577 11.803 -0.019
118 1HB ASN 17 1HB ASN 17 7.112 11.375 -0.863
119 2HB ASN 17 2HB ASN 17 7.374 9.721 -0.318
120 1HD2 ASN 17 1HD2 ASN 17 8.727 12.524 1.256
121 2HD2 ASN 17 2HD2 ASN 17 7.780 12.414 2.697
122 H GLY 18 H GLY 18 9.792 9.267 -1.955
123 1HA GLY 18 1HA GLY 18 10.794 7.318 -2.176
124 2HA GLY 18 2HA GLY 18 12.009 8.007 -1.133
125 H ARG 19 H ARG 19 8.758 6.842 -0.986
126 HA ARG 19 HA ARG 19 9.405 4.745 0.948
127 1HB ARG 19 1HB ARG 19 8.536 7.024 2.017
128 2HB ARG 19 2HB ARG 19 6.985 6.362 1.520
129 1HG ARG 19 1HG ARG 19 7.483 5.821 3.835
130 2HG ARG 19 2HG ARG 19 7.364 4.374 2.833
131 1HD ARG 19 1HD ARG 19 9.247 4.143 4.309
132 2HD ARG 19 2HD ARG 19 9.838 4.353 2.661
133 HE ARG 19 HE ARG 19 10.479 6.586 3.229
134 1HH1 ARG 19 1HH1 ARG 19 9.429 4.639 5.919
135 2HH1 ARG 19 2HH1 ARG 19 10.215 5.624 7.106
136 1HH2 ARG 19 1HH2 ARG 19 11.523 7.887 4.787
137 2HH2 ARG 19 2HH2 ARG 19 11.405 7.470 6.464
138 H VAL 20 H VAL 20 7.850 3.103 1.046
139 HA VAL 20 HA VAL 20 6.158 2.930 -1.349
140 HB VAL 20 HB VAL 20 6.039 0.478 -0.763
141 1HG1 VAL 20 1HG1 VAL 20 8.316 -0.021 -1.561
142 2HG1 VAL 20 2HG1 VAL 20 8.771 1.658 -1.268
143 3HG1 VAL 20 3HG1 VAL 20 7.552 1.274 -2.484
144 1HG2 VAL 20 1HG2 VAL 20 7.689 -0.409 0.800
145 2HG2 VAL 20 2HG2 VAL 20 6.582 0.696 1.616
146 3HG2 VAL 20 3HG2 VAL 20 8.209 1.229 1.195
147 H TYR 21 H TYR 21 4.364 4.091 -0.649
148 HA TYR 21 HA TYR 21 3.089 3.254 1.843
149 1HB TYR 21 1HB TYR 21 2.088 5.288 1.938
150 2HB TYR 21 2HB TYR 21 3.516 5.708 1.017
151 HD1 TYR 21 HD1 TYR 21 -0.115 5.039 0.716
152 HD2 TYR 21 HD2 TYR 21 3.399 6.506 -1.197
153 HE1 TYR 21 HE1 TYR 21 -1.482 5.957 -1.114
154 HE2 TYR 21 HE2 TYR 21 2.033 7.428 -3.016
155 HH TYR 21 HH TYR 21 -1.322 7.741 -2.818
156 H PHE 22 H PHE 22 0.883 2.719 1.997
157 HA PHE 22 HA PHE 22 -0.276 1.696 -0.498
158 1HB PHE 22 1HB PHE 22 -0.152 0.416 2.218
159 2HB PHE 22 2HB PHE 22 -1.401 -0.033 1.061
160 HD1 PHE 22 HD1 PHE 22 2.251 0.572 1.076
161 HD2 PHE 22 HD2 PHE 22 -0.948 -1.941 -0.232
162 HE1 PHE 22 HE1 PHE 22 3.857 -0.906 -0.031
163 HE2 PHE 22 HE2 PHE 22 0.668 -3.406 -1.325
164 HZ PHE 22 HZ PHE 22 3.046 -2.873 -1.222
165 H VAL 23 H VAL 23 -2.176 2.469 -1.021
166 HA VAL 23 HA VAL 23 -3.850 3.616 1.106
167 HB VAL 23 HB VAL 23 -3.301 4.611 -1.665
168 1HG1 VAL 23 1HG1 VAL 23 -5.289 6.037 -1.560
169 2HG1 VAL 23 2HG1 VAL 23 -5.795 5.226 -0.077
170 3HG1 VAL 23 3HG1 VAL 23 -5.730 4.330 -1.594
171 1HG2 VAL 23 1HG2 VAL 23 -3.148 6.750 -0.513
172 2HG2 VAL 23 2HG2 VAL 23 -2.104 5.555 0.258
173 3HG2 VAL 23 3HG2 VAL 23 -3.645 5.989 0.997
174 H ASN 24 H ASN 24 -4.972 1.741 1.472
175 HA ASN 24 HA ASN 24 -6.674 0.788 -0.737
176 1HB ASN 24 1HB ASN 24 -5.141 -0.902 0.376
177 2HB ASN 24 2HB ASN 24 -6.079 -0.673 1.847
178 1HD2 ASN 24 1HD2 ASN 24 -7.372 -0.641 -1.406
179 2HD2 ASN 24 2HD2 ASN 24 -8.307 -2.087 -1.253
180 H HIS 25 H HIS 25 -8.824 1.236 -0.560
181 HA HIS 25 HA HIS 25 -9.643 2.195 2.093
182 1HB HIS 25 1HB HIS 25 -10.588 3.149 -0.610
183 2HB HIS 25 2HB HIS 25 -11.275 3.659 0.928
184 HD1 HIS 25 HD1 HIS 25 -10.204 5.620 2.026
185 HD2 HIS 25 HD2 HIS 25 -7.789 3.948 -0.911
186 HE1 HIS 25 HE1 HIS 25 -8.246 7.180 1.799
187 HE2 HIS 25 HE2 HIS 25 -6.860 6.210 -0.068
188 H ASN 26 H ASN 26 -10.231 0.053 2.573
189 HA ASN 26 HA ASN 26 -12.767 -0.851 1.434
190 1HB ASN 26 1HB ASN 26 -10.924 -2.030 3.545
191 2HB ASN 26 2HB ASN 26 -12.493 -2.721 3.146
192 1HD2 ASN 26 1HD2 ASN 26 -10.464 -1.230 0.756
193 2HD2 ASN 26 2HD2 ASN 26 -10.028 -2.681 -0.075
194 H THR 27 H THR 27 -11.677 -0.870 4.749
195 HA THR 27 HA THR 27 -13.973 0.702 5.618
196 HB THR 27 HB THR 27 -13.681 -1.127 7.069
197 HG1 THR 27 HG1 THR 27 -13.832 0.774 8.295
198 1HG2 THR 27 1HG2 THR 27 -10.722 -0.547 7.216
199 2HG2 THR 27 2HG2 THR 27 -11.451 -1.783 6.193
200 3HG2 THR 27 3HG2 THR 27 -11.575 -1.906 7.947
201 H ARG 28 H ARG 28 -10.681 0.628 6.855
202 HA ARG 28 HA ARG 28 -10.049 3.295 5.927
203 1HB ARG 28 1HB ARG 28 -10.439 2.619 8.837
204 2HB ARG 28 2HB ARG 28 -9.384 3.931 8.332
205 1HG ARG 28 1HG ARG 28 -12.265 3.755 7.502
206 2HG ARG 28 2HG ARG 28 -11.737 4.567 8.978
207 1HD ARG 28 1HD ARG 28 -12.025 6.110 7.064
208 2HD ARG 28 2HD ARG 28 -10.385 6.101 7.712
209 HE ARG 28 HE ARG 28 -10.862 4.346 5.454
210 1HH1 ARG 28 1HH1 ARG 28 -9.766 7.456 6.570
211 2HH1 ARG 28 2HH1 ARG 28 -8.840 7.788 5.143
212 1HH2 ARG 28 1HH2 ARG 28 -9.646 4.771 3.569
213 2HH2 ARG 28 2HH2 ARG 28 -8.774 6.262 3.438
214 H ILE 29 H ILE 29 -8.291 2.246 4.776
215 HA ILE 29 HA ILE 29 -6.197 1.249 6.607
216 HB ILE 29 HB ILE 29 -6.831 0.192 3.856
217 1HG1 ILE 29 1HG1 ILE 29 -7.064 -1.040 6.609
218 2HG1 ILE 29 2HG1 ILE 29 -8.396 -0.599 5.546
219 1HG2 ILE 29 1HG2 ILE 29 -4.436 0.224 4.232
220 2HG2 ILE 29 2HG2 ILE 29 -5.039 -1.433 4.294
221 3HG2 ILE 29 3HG2 ILE 29 -4.649 -0.579 5.787
222 1HD1 ILE 29 1HD1 ILE 29 -8.039 -2.979 5.494
223 2HD1 ILE 29 2HD1 ILE 29 -6.348 -2.745 5.049
224 3HD1 ILE 29 3HD1 ILE 29 -7.628 -2.280 3.928
225 H TPO 30 H TPO 30 -4.435 2.439 6.609
226 HA TPO 30 HA TPO 30 -3.308 3.403 4.116
227 HB TPO 30 HB TPO 30 -4.476 5.368 4.512
228 1HG2 TPO 30 1HG2 TPO 30 -5.383 4.791 6.708
229 2HG2 TPO 30 2HG2 TPO 30 -4.719 6.425 6.718
230 3HG2 TPO 30 3HG2 TPO 30 -3.813 5.100 7.448
231 H GLN 31 H GLN 31 -1.568 2.111 4.415
232 HA GLN 31 HA GLN 31 0.414 2.982 6.380
233 1HB GLN 31 1HB GLN 31 0.943 0.689 7.038
234 2HB GLN 31 2HB GLN 31 -0.728 1.048 7.422
235 1HG GLN 31 1HG GLN 31 -1.507 -0.183 5.526
236 2HG GLN 31 2HG GLN 31 0.145 -0.421 4.957
237 1HE2 GLN 31 1HE2 GLN 31 1.160 -0.894 7.651
238 2HE2 GLN 31 2HE2 GLN 31 0.654 -2.489 8.078
239 H TRP 32 H TRP 32 2.627 2.505 5.617
240 HA TRP 32 HA TRP 32 2.603 2.064 2.728
241 1HB TRP 32 1HB TRP 32 5.154 2.318 4.241
242 2HB TRP 32 2HB TRP 32 4.671 3.060 2.719
243 HD1 TRP 32 HD1 TRP 32 3.278 3.449 6.347
244 HE1 TRP 32 HE1 TRP 32 3.073 5.972 6.821
245 HE3 TRP 32 HE3 TRP 32 5.139 5.226 1.957
246 HZ2 TRP 32 HZ2 TRP 32 3.634 8.404 5.490
247 HZ3 TRP 32 HZ3 TRP 32 5.255 7.643 1.618
248 HH2 TRP 32 HH2 TRP 32 4.534 9.213 3.348
249 H GLU 33 H GLU 33 1.844 -0.236 3.158
250 HA GLU 33 HA GLU 33 4.135 -1.965 2.937
251 1HB GLU 33 1HB GLU 33 3.865 -1.932 5.364
252 2HB GLU 33 2HB GLU 33 2.192 -2.460 5.184
253 1HG GLU 33 1HG GLU 33 3.380 -4.369 3.754
254 2HG GLU 33 2HG GLU 33 4.706 -3.977 4.855
255 H ASP 34 H ASP 34 3.706 -4.033 2.034
256 HA ASP 34 HA ASP 34 1.325 -4.256 0.490
257 1HB ASP 34 1HB ASP 34 2.094 -6.793 0.482
258 2HB ASP 34 2HB ASP 34 3.033 -5.588 -0.396
259 HA PRO 35 HA PRO 35 -1.092 -5.631 3.976
260 1HB PRO 35 1HB PRO 35 -3.412 -5.904 2.364
261 2HB PRO 35 2HB PRO 35 -2.884 -4.472 3.254
262 1HG PRO 35 1HG PRO 35 -3.014 -4.594 0.520
263 2HG PRO 35 2HG PRO 35 -1.917 -3.523 1.402
264 1HD PRO 35 1HD PRO 35 -1.358 -6.280 0.321
265 2HD PRO 35 2HD PRO 35 -0.441 -4.791 0.033
266 H ARG 36 H ARG 36 0.109 -7.783 3.955
267 HA ARG 36 HA ARG 36 -0.860 -10.033 2.599
268 1HB ARG 36 1HB ARG 36 0.387 -11.349 4.180
269 2HB ARG 36 2HB ARG 36 1.315 -9.902 3.812
270 1HG ARG 36 1HG ARG 36 1.551 -10.022 6.086
271 2HG ARG 36 2HG ARG 36 0.150 -8.959 5.948
272 1HD ARG 36 1HD ARG 36 -0.229 -10.654 7.648
273 2HD ARG 36 2HD ARG 36 -1.332 -10.883 6.290
274 HE ARG 36 HE ARG 36 0.902 -12.466 5.819
275 1HH1 ARG 36 1HH1 ARG 36 -1.689 -12.245 8.134
276 2HH1 ARG 36 2HH1 ARG 36 -1.685 -13.938 8.494
277 1HH2 ARG 36 1HH2 ARG 36 0.917 -14.697 6.285
278 2HH2 ARG 36 2HH2 ARG 36 -0.202 -15.334 7.444
279 H SER 37 H SER 37 -2.675 -8.160 4.411
280 HA SER 37 HA SER 37 -3.976 -10.090 6.113
281 1HB SER 37 1HB SER 37 -4.759 -7.263 5.361
282 2HB SER 37 2HB SER 37 -5.555 -8.241 6.594
283 HG SER 37 HG SER 37 -4.090 -7.515 7.897
Start of MODEL 6
1 1H GLY 1 1H GLY 1 1.086 -10.640 -9.788
2 2H GLY 1 2H GLY 1 0.917 -9.231 -10.709
3 3H GLY 1 3H GLY 1 1.633 -9.160 -9.178
4 1HA GLY 1 1HA GLY 1 2.740 -10.568 -11.546
5 2HA GLY 1 2HA GLY 1 3.305 -9.025 -10.921
6 H ALA 2 H ALA 2 2.273 -11.563 -8.773
7 HA ALA 2 HA ALA 2 3.384 -12.890 -7.292
8 1HB ALA 2 1HB ALA 2 4.562 -13.760 -9.252
9 2HB ALA 2 2HB ALA 2 5.622 -13.686 -7.844
10 3HB ALA 2 3HB ALA 2 5.753 -12.467 -9.110
11 H MET 3 H MET 3 3.571 -11.940 -5.369
12 HA MET 3 HA MET 3 4.209 -10.483 -3.727
13 1HB MET 3 1HB MET 3 6.646 -10.386 -3.365
14 2HB MET 3 2HB MET 3 6.094 -12.019 -3.707
15 1HG MET 3 1HG MET 3 6.842 -11.769 -6.030
16 2HG MET 3 2HG MET 3 7.438 -10.155 -5.650
17 1HE MET 3 1HE MET 3 9.182 -12.487 -6.978
18 2HE MET 3 2HE MET 3 10.700 -12.320 -6.096
19 3HE MET 3 3HE MET 3 9.833 -10.883 -6.639
20 H GLY 4 H GLY 4 5.759 -8.461 -3.307
21 1HA GLY 4 1HA GLY 4 6.659 -6.441 -4.228
22 2HA GLY 4 2HA GLY 4 5.718 -6.729 -5.681
23 HA PRO 5 HA PRO 5 3.533 -3.571 -3.035
24 1HB PRO 5 1HB PRO 5 3.289 -1.685 -4.956
25 2HB PRO 5 2HB PRO 5 4.734 -1.842 -3.959
26 1HG PRO 5 1HG PRO 5 4.236 -2.852 -6.735
27 2HG PRO 5 2HG PRO 5 5.657 -2.007 -6.093
28 1HD PRO 5 1HD PRO 5 5.592 -4.692 -6.397
29 2HD PRO 5 2HD PRO 5 6.489 -3.907 -5.082
30 H LEU 6 H LEU 6 1.401 -2.717 -3.271
31 HA LEU 6 HA LEU 6 -0.801 -3.215 -3.474
32 1HB LEU 6 1HB LEU 6 -0.461 -3.162 -6.442
33 2HB LEU 6 2HB LEU 6 -1.744 -2.483 -5.470
34 HG LEU 6 HG LEU 6 -0.295 -0.691 -4.735
35 1HD1 LEU 6 1HD1 LEU 6 1.761 -2.252 -6.231
36 2HD1 LEU 6 2HD1 LEU 6 1.781 -1.626 -4.577
37 3HD1 LEU 6 3HD1 LEU 6 1.946 -0.517 -5.943
38 1HD2 LEU 6 1HD2 LEU 6 -1.496 -0.233 -6.765
39 2HD2 LEU 6 2HD2 LEU 6 -0.319 -1.128 -7.724
40 3HD2 LEU 6 3HD2 LEU 6 0.141 0.391 -6.956
41 HA PRO 7 HA PRO 7 -0.282 -7.607 -4.484
42 1HB PRO 7 1HB PRO 7 -1.170 -7.973 -1.742
43 2HB PRO 7 2HB PRO 7 0.286 -8.609 -2.526
44 1HG PRO 7 1HG PRO 7 0.436 -6.657 -0.678
45 2HG PRO 7 2HG PRO 7 1.516 -6.673 -2.087
46 1HD PRO 7 1HD PRO 7 -1.014 -5.101 -1.671
47 2HD PRO 7 2HD PRO 7 0.543 -4.525 -2.297
48 HA PRO 8 HA PRO 8 -4.857 -8.193 -3.256
49 1HB PRO 8 1HB PRO 8 -5.639 -6.166 -1.399
50 2HB PRO 8 2HB PRO 8 -5.393 -7.882 -1.065
51 1HG PRO 8 1HG PRO 8 -3.839 -5.772 -0.115
52 2HG PRO 8 2HG PRO 8 -3.377 -7.478 -0.122
53 1HD PRO 8 1HD PRO 8 -2.534 -5.313 -1.990
54 2HD PRO 8 2HD PRO 8 -1.679 -6.735 -1.443
55 H GLY 9 H GLY 9 -4.192 -6.620 -5.408
56 1HA GLY 9 1HA GLY 9 -4.937 -4.897 -6.800
57 2HA GLY 9 2HA GLY 9 -6.512 -5.263 -6.093
58 H TRP 10 H TRP 10 -3.482 -3.683 -5.231
59 HA TRP 10 HA TRP 10 -4.958 -1.678 -3.640
60 1HB TRP 10 1HB TRP 10 -2.315 -3.050 -3.385
61 2HB TRP 10 2HB TRP 10 -2.529 -1.481 -2.636
62 HD1 TRP 10 HD1 TRP 10 -4.723 -4.578 -2.898
63 HE1 TRP 10 HE1 TRP 10 -5.627 -5.212 -0.570
64 HE3 TRP 10 HE3 TRP 10 -2.414 -0.982 -0.174
65 HZ2 TRP 10 HZ2 TRP 10 -5.308 -4.338 2.085
66 HZ3 TRP 10 HZ3 TRP 10 -2.687 -0.999 2.272
67 HH2 TRP 10 HH2 TRP 10 -4.109 -2.623 3.352
68 H GLU 11 H GLU 11 -4.345 0.474 -3.692
69 HA GLU 11 HA GLU 11 -2.914 1.304 -6.108
70 1HB GLU 11 1HB GLU 11 -5.074 2.358 -5.783
71 2HB GLU 11 2HB GLU 11 -4.640 2.835 -4.149
72 1HG GLU 11 1HG GLU 11 -2.893 4.303 -5.065
73 2HG GLU 11 2HG GLU 11 -3.400 3.856 -6.693
74 H LYS 12 H LYS 12 -0.822 0.874 -5.463
75 HA LYS 12 HA LYS 12 0.230 2.427 -3.188
76 1HB LYS 12 1HB LYS 12 1.123 -0.191 -4.354
77 2HB LYS 12 2HB LYS 12 2.183 0.762 -3.349
78 1HG LYS 12 1HG LYS 12 1.153 -0.978 -2.082
79 2HG LYS 12 2HG LYS 12 0.596 0.586 -1.511
80 1HD LYS 12 1HD LYS 12 -1.202 -0.368 -3.534
81 2HD LYS 12 2HD LYS 12 -0.951 -1.611 -2.311
82 1HE LYS 12 1HE LYS 12 -1.529 -0.163 -0.568
83 2HE LYS 12 2HE LYS 12 -1.528 1.248 -1.623
84 1HZ LYS 12 1HZ LYS 12 -3.775 0.649 -1.238
85 2HZ LYS 12 2HZ LYS 12 -3.490 -0.979 -1.586
86 3HZ LYS 12 3HZ LYS 12 -3.425 0.171 -2.820
87 H ARG 13 H ARG 13 2.219 3.434 -3.423
88 HA ARG 13 HA ARG 13 3.390 3.565 -6.083
89 1HB ARG 13 1HB ARG 13 3.158 5.883 -6.418
90 2HB ARG 13 2HB ARG 13 1.562 5.326 -5.937
91 1HG ARG 13 1HG ARG 13 1.752 6.271 -3.803
92 2HG ARG 13 2HG ARG 13 3.498 6.478 -3.959
93 1HD ARG 13 1HD ARG 13 1.364 7.956 -5.497
94 2HD ARG 13 2HD ARG 13 2.379 8.615 -4.213
95 HE ARG 13 HE ARG 13 4.131 7.681 -6.104
96 1HH1 ARG 13 1HH1 ARG 13 1.506 9.971 -6.057
97 2HH1 ARG 13 2HH1 ARG 13 2.184 10.968 -7.300
98 1HH2 ARG 13 1HH2 ARG 13 5.030 8.984 -7.741
99 2HH2 ARG 13 2HH2 ARG 13 4.188 10.407 -8.259
100 H THR 14 H THR 14 5.498 4.357 -6.139
101 HA THR 14 HA THR 14 6.741 4.686 -3.490
102 HB THR 14 HB THR 14 8.779 3.662 -4.384
103 HG1 THR 14 HG1 THR 14 8.965 3.143 -6.453
104 1HG2 THR 14 1HG2 THR 14 7.968 1.359 -4.556
105 2HG2 THR 14 2HG2 THR 14 6.328 1.952 -4.818
106 3HG2 THR 14 3HG2 THR 14 7.131 2.234 -3.274
107 H ASP 15 H ASP 15 6.626 6.920 -3.543
108 HA ASP 15 HA ASP 15 7.974 8.356 -5.694
109 1HB ASP 15 1HB ASP 15 5.879 9.298 -4.910
110 2HB ASP 15 2HB ASP 15 6.457 9.299 -3.247
111 H SER 16 H SER 16 9.796 9.740 -5.287
112 HA SER 16 HA SER 16 11.806 8.631 -3.676
113 1HB SER 16 1HB SER 16 12.071 10.353 -5.586
114 2HB SER 16 2HB SER 16 11.696 11.589 -4.391
115 HG SER 16 HG SER 16 13.493 10.845 -3.178
116 H ASN 17 H ASN 17 9.171 10.652 -2.602
117 HA ASN 17 HA ASN 17 10.258 11.524 -0.206
118 1HB ASN 17 1HB ASN 17 7.729 11.441 -0.695
119 2HB ASN 17 2HB ASN 17 7.799 9.711 -0.376
120 1HD2 ASN 17 1HD2 ASN 17 9.705 12.032 1.385
121 2HD2 ASN 17 2HD2 ASN 17 8.863 11.879 2.886
122 H GLY 18 H GLY 18 10.036 8.913 -2.039
123 1HA GLY 18 1HA GLY 18 10.859 6.889 -2.288
124 2HA GLY 18 2HA GLY 18 12.195 7.465 -1.333
125 H ARG 19 H ARG 19 8.861 6.607 -0.994
126 HA ARG 19 HA ARG 19 9.426 4.538 1.008
127 1HB ARG 19 1HB ARG 19 8.611 6.933 1.911
128 2HB ARG 19 2HB ARG 19 7.051 6.239 1.492
129 1HG ARG 19 1HG ARG 19 7.727 5.925 3.865
130 2HG ARG 19 2HG ARG 19 7.336 4.440 2.999
131 1HD ARG 19 1HD ARG 19 9.683 3.951 2.698
132 2HD ARG 19 2HD ARG 19 10.129 5.494 3.424
133 HE ARG 19 HE ARG 19 8.556 3.990 5.225
134 1HH1 ARG 19 1HH1 ARG 19 11.748 4.099 3.833
135 2HH1 ARG 19 2HH1 ARG 19 12.505 3.337 5.192
136 1HH2 ARG 19 1HH2 ARG 19 9.542 2.990 7.017
137 2HH2 ARG 19 2HH2 ARG 19 11.251 2.705 7.003
138 H VAL 20 H VAL 20 7.794 2.954 1.152
139 HA VAL 20 HA VAL 20 6.123 2.787 -1.260
140 HB VAL 20 HB VAL 20 5.985 0.372 -0.799
141 1HG1 VAL 20 1HG1 VAL 20 7.761 1.198 -2.243
142 2HG1 VAL 20 2HG1 VAL 20 8.322 -0.184 -1.302
143 3HG1 VAL 20 3HG1 VAL 20 8.804 1.448 -0.843
144 1HG2 VAL 20 1HG2 VAL 20 7.477 -0.600 0.935
145 2HG2 VAL 20 2HG2 VAL 20 6.158 0.363 1.601
146 3HG2 VAL 20 3HG2 VAL 20 7.788 1.032 1.528
147 H TYR 21 H TYR 21 4.284 3.903 -0.670
148 HA TYR 21 HA TYR 21 2.982 3.098 1.829
149 1HB TYR 21 1HB TYR 21 2.216 5.174 2.051
150 2HB TYR 21 2HB TYR 21 3.442 5.587 0.864
151 HD1 TYR 21 HD1 TYR 21 -0.161 4.816 1.273
152 HD2 TYR 21 HD2 TYR 21 2.858 6.437 -1.260
153 HE1 TYR 21 HE1 TYR 21 -1.893 5.699 -0.226
154 HE2 TYR 21 HE2 TYR 21 1.125 7.326 -2.762
155 HH TYR 21 HH TYR 21 -2.146 7.495 -1.899
156 H PHE 22 H PHE 22 0.751 2.619 1.924
157 HA PHE 22 HA PHE 22 -0.293 1.525 -0.592
158 1HB PHE 22 1HB PHE 22 -0.245 0.361 2.169
159 2HB PHE 22 2HB PHE 22 -1.502 -0.115 1.032
160 HD1 PHE 22 HD1 PHE 22 2.096 0.635 0.640
161 HD2 PHE 22 HD2 PHE 22 -1.009 -2.265 0.199
162 HE1 PHE 22 HE1 PHE 22 3.670 -0.903 -0.439
163 HE2 PHE 22 HE2 PHE 22 0.567 -3.779 -0.874
164 HZ PHE 22 HZ PHE 22 2.884 -3.093 -1.190
165 H VAL 23 H VAL 23 -2.083 2.392 -1.277
166 HA VAL 23 HA VAL 23 -3.904 3.613 0.672
167 HB VAL 23 HB VAL 23 -2.939 4.560 -1.858
168 1HG1 VAL 23 1HG1 VAL 23 -5.093 5.271 -2.857
169 2HG1 VAL 23 2HG1 VAL 23 -5.932 4.211 -1.726
170 3HG1 VAL 23 3HG1 VAL 23 -4.837 3.529 -2.927
171 1HG2 VAL 23 1HG2 VAL 23 -3.822 6.625 -1.121
172 2HG2 VAL 23 2HG2 VAL 23 -3.280 5.773 0.326
173 3HG2 VAL 23 3HG2 VAL 23 -4.997 5.832 -0.074
174 H ASN 24 H ASN 24 -4.963 1.765 1.268
175 HA ASN 24 HA ASN 24 -6.504 0.394 -0.839
176 1HB ASN 24 1HB ASN 24 -5.013 -1.102 0.437
177 2HB ASN 24 2HB ASN 24 -5.771 -0.584 1.937
178 1HD2 ASN 24 1HD2 ASN 24 -7.471 -1.134 -1.069
179 2HD2 ASN 24 2HD2 ASN 24 -8.356 -2.519 -0.539
180 H HIS 25 H HIS 25 -8.656 0.820 -0.857
181 HA HIS 25 HA HIS 25 -9.694 1.928 1.664
182 1HB HIS 25 1HB HIS 25 -10.476 2.757 -1.130
183 2HB HIS 25 2HB HIS 25 -11.191 3.371 0.356
184 HD1 HIS 25 HD1 HIS 25 -10.199 5.474 1.190
185 HD2 HIS 25 HD2 HIS 25 -7.549 3.365 -1.216
186 HE1 HIS 25 HE1 HIS 25 -8.174 6.947 0.971
187 HE2 HIS 25 HE2 HIS 25 -6.644 5.709 -0.602
188 H ASN 26 H ASN 26 -10.318 -0.208 2.175
189 HA ASN 26 HA ASN 26 -12.757 -1.143 0.861
190 1HB ASN 26 1HB ASN 26 -12.634 -2.973 2.622
191 2HB ASN 26 2HB ASN 26 -11.277 -2.944 1.501
192 1HD2 ASN 26 1HD2 ASN 26 -9.281 -2.031 2.229
193 2HD2 ASN 26 2HD2 ASN 26 -8.884 -2.052 3.910
194 H THR 27 H THR 27 -11.933 -1.060 4.250
195 HA THR 27 HA THR 27 -14.300 0.512 4.893
196 HB THR 27 HB THR 27 -12.274 -0.848 6.698
197 HG1 THR 27 HG1 THR 27 -14.560 -1.949 7.081
198 1HG2 THR 27 1HG2 THR 27 -13.238 1.102 7.791
199 2HG2 THR 27 2HG2 THR 27 -13.877 -0.376 8.508
200 3HG2 THR 27 3HG2 THR 27 -14.863 0.552 7.379
201 H ARG 28 H ARG 28 -11.086 0.462 6.331
202 HA ARG 28 HA ARG 28 -10.435 3.149 5.456
203 1HB ARG 28 1HB ARG 28 -11.757 3.531 7.504
204 2HB ARG 28 2HB ARG 28 -10.678 2.466 8.396
205 1HG ARG 28 1HG ARG 28 -10.053 4.695 8.899
206 2HG ARG 28 2HG ARG 28 -8.810 4.031 7.838
207 1HD ARG 28 1HD ARG 28 -9.849 5.150 5.925
208 2HD ARG 28 2HD ARG 28 -11.091 5.813 6.988
209 HE ARG 28 HE ARG 28 -8.252 6.456 7.410
210 1HH1 ARG 28 1HH1 ARG 28 -11.537 7.433 6.790
211 2HH1 ARG 28 2HH1 ARG 28 -11.214 9.120 7.009
212 1HH2 ARG 28 1HH2 ARG 28 -7.815 8.675 7.701
213 2HH2 ARG 28 2HH2 ARG 28 -9.096 9.828 7.525
214 H ILE 29 H ILE 29 -8.605 2.140 4.390
215 HA ILE 29 HA ILE 29 -6.591 1.126 6.300
216 HB ILE 29 HB ILE 29 -7.170 0.099 3.527
217 1HG1 ILE 29 1HG1 ILE 29 -8.623 -0.757 5.328
218 2HG1 ILE 29 2HG1 ILE 29 -7.581 -2.018 4.676
219 1HG2 ILE 29 1HG2 ILE 29 -4.762 0.250 3.847
220 2HG2 ILE 29 2HG2 ILE 29 -5.287 -1.433 3.859
221 3HG2 ILE 29 3HG2 ILE 29 -4.898 -0.620 5.375
222 1HD1 ILE 29 1HD1 ILE 29 -7.741 -2.155 7.095
223 2HD1 ILE 29 2HD1 ILE 29 -7.125 -0.508 7.238
224 3HD1 ILE 29 3HD1 ILE 29 -6.093 -1.783 6.589
225 H TPO 30 H TPO 30 -4.816 2.299 6.395
226 HA TPO 30 HA TPO 30 -3.612 3.375 3.978
227 HB TPO 30 HB TPO 30 -4.911 5.278 4.535
228 1HG2 TPO 30 1HG2 TPO 30 -3.898 5.004 7.368
229 2HG2 TPO 30 2HG2 TPO 30 -5.530 4.626 6.821
230 3HG2 TPO 30 3HG2 TPO 30 -4.943 6.288 6.765
231 H GLN 31 H GLN 31 -1.846 2.107 4.255
232 HA GLN 31 HA GLN 31 0.051 2.899 6.320
233 1HB GLN 31 1HB GLN 31 0.389 0.151 6.279
234 2HB GLN 31 2HB GLN 31 -0.343 1.070 7.576
235 1HG GLN 31 1HG GLN 31 -1.977 -0.473 7.224
236 2HG GLN 31 2HG GLN 31 -2.510 0.781 6.108
237 1HE2 GLN 31 1HE2 GLN 31 -0.225 0.131 4.307
238 2HE2 GLN 31 2HE2 GLN 31 -0.711 -1.298 3.470
239 H TRP 32 H TRP 32 2.289 2.427 5.653
240 HA TRP 32 HA TRP 32 2.392 1.959 2.761
241 1HB TRP 32 1HB TRP 32 4.864 2.384 4.366
242 2HB TRP 32 2HB TRP 32 4.424 3.030 2.789
243 HD1 TRP 32 HD1 TRP 32 2.702 3.526 6.250
244 HE1 TRP 32 HE1 TRP 32 2.459 6.058 6.640
245 HE3 TRP 32 HE3 TRP 32 5.039 5.214 2.040
246 HZ2 TRP 32 HZ2 TRP 32 3.174 8.459 5.333
247 HZ3 TRP 32 HZ3 TRP 32 5.212 7.629 1.680
248 HH2 TRP 32 HH2 TRP 32 4.307 9.227 3.291
249 H GLU 33 H GLU 33 1.733 -0.344 3.156
250 HA GLU 33 HA GLU 33 4.090 -1.994 3.102
251 1HB GLU 33 1HB GLU 33 3.750 -2.039 5.476
252 2HB GLU 33 2HB GLU 33 2.042 -2.429 5.266
253 1HG GLU 33 1HG GLU 33 3.154 -4.425 3.846
254 2HG GLU 33 2HG GLU 33 4.419 -4.155 5.053
255 H ASP 34 H ASP 34 3.784 -4.071 2.173
256 HA ASP 34 HA ASP 34 1.504 -4.386 0.496
257 1HB ASP 34 1HB ASP 34 2.342 -6.688 0.121
258 2HB ASP 34 2HB ASP 34 3.647 -5.513 -0.019
259 HA PRO 35 HA PRO 35 -1.026 -5.833 3.882
260 1HB PRO 35 1HB PRO 35 -3.262 -6.163 2.126
261 2HB PRO 35 2HB PRO 35 -2.881 -4.780 3.157
262 1HG PRO 35 1HG PRO 35 -2.862 -4.638 0.445
263 2HG PRO 35 2HG PRO 35 -1.811 -3.645 1.462
264 1HD PRO 35 1HD PRO 35 -1.168 -6.296 0.182
265 2HD PRO 35 2HD PRO 35 -0.275 -4.775 0.016
266 H ARG 36 H ARG 36 0.515 -7.946 3.258
267 HA ARG 36 HA ARG 36 -0.559 -10.151 1.991
268 1HB ARG 36 1HB ARG 36 1.046 -11.450 3.083
269 2HB ARG 36 2HB ARG 36 1.763 -9.845 3.051
270 1HG ARG 36 1HG ARG 36 0.267 -10.956 5.412
271 2HG ARG 36 2HG ARG 36 2.014 -11.080 5.206
272 1HD ARG 36 1HD ARG 36 1.600 -9.204 6.607
273 2HD ARG 36 2HD ARG 36 2.076 -8.581 5.028
274 HE ARG 36 HE ARG 36 -0.447 -8.363 4.681
275 1HH1 ARG 36 1HH1 ARG 36 1.141 -8.030 7.759
276 2HH1 ARG 36 2HH1 ARG 36 -0.046 -6.945 8.400
277 1HH2 ARG 36 1HH2 ARG 36 -2.015 -6.931 5.511
278 2HH2 ARG 36 2HH2 ARG 36 -1.841 -6.321 7.123
279 H SER 37 H SER 37 -1.565 -8.687 4.926
280 HA SER 37 HA SER 37 -3.843 -10.353 5.146
281 1HB SER 37 1HB SER 37 -3.346 -11.399 7.325
282 2HB SER 37 2HB SER 37 -2.232 -11.951 6.073
283 HG SER 37 HG SER 37 -1.146 -9.816 7.155
Start of MODEL 7
1 1H GLY 1 1H GLY 1 1.759 -6.474 -11.502
2 2H GLY 1 2H GLY 1 2.502 -6.827 -10.024
3 3H GLY 1 3H GLY 1 1.191 -7.755 -10.554
4 1HA GLY 1 1HA GLY 1 2.487 -8.572 -12.426
5 2HA GLY 1 2HA GLY 1 3.849 -7.613 -11.868
6 H ALA 2 H ALA 2 1.688 -10.264 -10.963
7 HA ALA 2 HA ALA 2 2.134 -12.241 -9.909
8 1HB ALA 2 1HB ALA 2 4.271 -12.265 -11.095
9 2HB ALA 2 2HB ALA 2 4.433 -12.914 -9.463
10 3HB ALA 2 3HB ALA 2 4.991 -11.280 -9.821
11 H MET 3 H MET 3 4.715 -10.586 -8.202
12 HA MET 3 HA MET 3 2.967 -10.325 -5.850
13 1HB MET 3 1HB MET 3 4.867 -11.050 -4.429
14 2HB MET 3 2HB MET 3 4.293 -12.314 -5.508
15 1HG MET 3 1HG MET 3 6.703 -10.583 -6.008
16 2HG MET 3 2HG MET 3 6.745 -12.214 -5.342
17 1HE MET 3 1HE MET 3 8.173 -12.854 -8.896
18 2HE MET 3 2HE MET 3 8.403 -13.065 -7.161
19 3HE MET 3 3HE MET 3 8.477 -11.453 -7.870
20 H GLY 4 H GLY 4 4.703 -9.210 -4.071
21 1HA GLY 4 1HA GLY 4 6.082 -7.354 -3.655
22 2HA GLY 4 2HA GLY 4 6.037 -6.968 -5.368
23 HA PRO 5 HA PRO 5 3.840 -3.481 -3.101
24 1HB PRO 5 1HB PRO 5 3.932 -2.875 -6.040
25 2HB PRO 5 2HB PRO 5 4.153 -1.791 -4.662
26 1HG PRO 5 1HG PRO 5 6.221 -2.866 -6.105
27 2HG PRO 5 2HG PRO 5 6.353 -2.342 -4.420
28 1HD PRO 5 1HD PRO 5 6.513 -5.023 -5.485
29 2HD PRO 5 2HD PRO 5 6.731 -4.488 -3.809
30 H LEU 6 H LEU 6 1.767 -3.266 -2.881
31 HA LEU 6 HA LEU 6 -0.419 -3.682 -2.933
32 1HB LEU 6 1HB LEU 6 -0.332 -3.815 -5.927
33 2HB LEU 6 2HB LEU 6 -1.610 -3.207 -4.919
34 HG LEU 6 HG LEU 6 -0.239 -1.249 -4.368
35 1HD1 LEU 6 1HD1 LEU 6 1.722 -2.587 -6.198
36 2HD1 LEU 6 2HD1 LEU 6 1.919 -2.117 -4.511
37 3HD1 LEU 6 3HD1 LEU 6 1.804 -0.879 -5.757
38 1HD2 LEU 6 1HD2 LEU 6 -1.772 -1.359 -6.395
39 2HD2 LEU 6 2HD2 LEU 6 -0.319 -1.607 -7.358
40 3HD2 LEU 6 3HD2 LEU 6 -0.520 -0.120 -6.431
41 HA PRO 7 HA PRO 7 0.324 -8.115 -3.550
42 1HB PRO 7 1HB PRO 7 -0.813 -8.059 -0.831
43 2HB PRO 7 2HB PRO 7 0.604 -8.952 -1.416
44 1HG PRO 7 1HG PRO 7 0.952 -6.797 0.104
45 2HG PRO 7 2HG PRO 7 1.990 -7.048 -1.316
46 1HD PRO 7 1HD PRO 7 -0.438 -5.290 -1.045
47 2HD PRO 7 2HD PRO 7 1.126 -4.876 -1.767
48 HA PRO 8 HA PRO 8 -4.415 -8.140 -2.975
49 1HB PRO 8 1HB PRO 8 -5.189 -6.061 -1.203
50 2HB PRO 8 2HB PRO 8 -5.088 -7.783 -0.815
51 1HG PRO 8 1HG PRO 8 -3.489 -5.778 0.269
52 2HG PRO 8 2HG PRO 8 -3.120 -7.507 0.286
53 1HD PRO 8 1HD PRO 8 -2.088 -5.403 -1.589
54 2HD PRO 8 2HD PRO 8 -1.262 -6.764 -0.860
55 H GLY 9 H GLY 9 -6.376 -6.348 -3.170
56 1HA GLY 9 1HA GLY 9 -5.707 -4.736 -5.434
57 2HA GLY 9 2HA GLY 9 -7.229 -4.672 -4.542
58 H TRP 10 H TRP 10 -4.041 -3.303 -4.888
59 HA TRP 10 HA TRP 10 -4.765 -1.253 -2.880
60 1HB TRP 10 1HB TRP 10 -2.204 -2.782 -3.267
61 2HB TRP 10 2HB TRP 10 -2.217 -1.280 -2.359
62 HD1 TRP 10 HD1 TRP 10 -4.065 -4.588 -2.498
63 HE1 TRP 10 HE1 TRP 10 -4.861 -5.283 -0.164
64 HE3 TRP 10 HE3 TRP 10 -2.238 -0.661 0.127
65 HZ2 TRP 10 HZ2 TRP 10 -4.634 -4.358 2.453
66 HZ3 TRP 10 HZ3 TRP 10 -2.484 -0.715 2.587
67 HH2 TRP 10 HH2 TRP 10 -3.660 -2.500 3.690
68 H GLU 11 H GLU 11 -4.121 0.812 -3.157
69 HA GLU 11 HA GLU 11 -3.054 1.551 -5.791
70 1HB GLU 11 1HB GLU 11 -5.148 2.679 -5.213
71 2HB GLU 11 2HB GLU 11 -4.461 3.219 -3.684
72 1HG GLU 11 1HG GLU 11 -3.008 3.973 -6.142
73 2HG GLU 11 2HG GLU 11 -4.559 4.749 -5.860
74 H LYS 12 H LYS 12 -0.968 1.132 -5.447
75 HA LYS 12 HA LYS 12 0.349 2.368 -3.146
76 1HB LYS 12 1HB LYS 12 0.956 -0.098 -4.677
77 2HB LYS 12 2HB LYS 12 2.168 0.643 -3.640
78 1HG LYS 12 1HG LYS 12 0.783 0.404 -1.741
79 2HG LYS 12 2HG LYS 12 -0.537 -0.235 -2.720
80 1HD LYS 12 1HD LYS 12 0.864 -1.904 -1.606
81 2HD LYS 12 2HD LYS 12 0.697 -2.115 -3.326
82 1HE LYS 12 1HE LYS 12 3.075 -2.318 -2.254
83 2HE LYS 12 2HE LYS 12 2.867 -1.464 -3.773
84 1HZ LYS 12 1HZ LYS 12 2.628 0.107 -1.329
85 2HZ LYS 12 2HZ LYS 12 3.288 0.529 -2.828
86 3HZ LYS 12 3HZ LYS 12 4.177 -0.425 -1.752
87 H ARG 13 H ARG 13 2.427 2.999 -3.274
88 HA ARG 13 HA ARG 13 3.496 3.748 -5.870
89 1HB ARG 13 1HB ARG 13 2.153 5.626 -5.808
90 2HB ARG 13 2HB ARG 13 2.258 5.775 -4.061
91 1HG ARG 13 1HG ARG 13 4.278 6.866 -4.137
92 2HG ARG 13 2HG ARG 13 4.712 6.176 -5.702
93 1HD ARG 13 1HD ARG 13 4.162 8.605 -5.773
94 2HD ARG 13 2HD ARG 13 3.170 7.608 -6.836
95 HE ARG 13 HE ARG 13 1.675 7.770 -4.595
96 1HH1 ARG 13 1HH1 ARG 13 3.266 10.161 -6.564
97 2HH1 ARG 13 2HH1 ARG 13 2.095 11.396 -6.242
98 1HH2 ARG 13 1HH2 ARG 13 0.122 9.390 -4.167
99 2HH2 ARG 13 2HH2 ARG 13 0.309 10.958 -4.879
100 H THR 14 H THR 14 5.633 4.343 -5.872
101 HA THR 14 HA THR 14 7.027 4.330 -3.285
102 HB THR 14 HB THR 14 7.322 2.102 -4.157
103 HG1 THR 14 HG1 THR 14 9.619 2.129 -4.373
104 1HG2 THR 14 1HG2 THR 14 8.348 1.704 -6.361
105 2HG2 THR 14 2HG2 THR 14 8.275 3.434 -6.695
106 3HG2 THR 14 3HG2 THR 14 6.785 2.511 -6.494
107 H ASP 15 H ASP 15 7.458 6.494 -3.312
108 HA ASP 15 HA ASP 15 9.027 7.544 -5.577
109 1HB ASP 15 1HB ASP 15 6.902 8.730 -5.153
110 2HB ASP 15 2HB ASP 15 7.424 9.063 -3.504
111 H SER 16 H SER 16 10.899 8.816 -5.120
112 HA SER 16 HA SER 16 12.627 7.836 -3.183
113 1HB SER 16 1HB SER 16 13.970 9.920 -3.517
114 2HB SER 16 2HB SER 16 13.448 9.225 -5.051
115 HG SER 16 HG SER 16 11.756 11.103 -3.907
116 H ASN 17 H ASN 17 9.966 10.021 -2.565
117 HA ASN 17 HA ASN 17 10.805 11.048 -0.141
118 1HB ASN 17 1HB ASN 17 8.351 9.244 -0.446
119 2HB ASN 17 2HB ASN 17 8.607 10.434 0.825
120 1HD2 ASN 17 1HD2 ASN 17 9.728 12.375 -1.068
121 2HD2 ASN 17 2HD2 ASN 17 8.377 13.017 -1.932
122 H GLY 18 H GLY 18 10.739 8.296 -1.779
123 1HA GLY 18 1HA GLY 18 11.502 6.226 -1.747
124 2HA GLY 18 2HA GLY 18 12.773 6.881 -0.751
125 H ARG 19 H ARG 19 9.389 6.235 -0.527
126 HA ARG 19 HA ARG 19 9.733 4.373 1.723
127 1HB ARG 19 1HB ARG 19 8.896 6.901 2.208
128 2HB ARG 19 2HB ARG 19 7.365 6.137 1.806
129 1HG ARG 19 1HG ARG 19 8.005 6.220 4.252
130 2HG ARG 19 2HG ARG 19 7.477 4.667 3.604
131 1HD ARG 19 1HD ARG 19 9.508 4.610 5.107
132 2HD ARG 19 2HD ARG 19 9.693 3.839 3.532
133 HE ARG 19 HE ARG 19 10.790 6.011 2.858
134 1HH1 ARG 19 1HH1 ARG 19 10.806 4.862 6.148
135 2HH1 ARG 19 2HH1 ARG 19 12.293 5.653 6.552
136 1HH2 ARG 19 1HH2 ARG 19 12.748 7.052 3.379
137 2HH2 ARG 19 2HH2 ARG 19 13.398 6.897 4.977
138 H VAL 20 H VAL 20 8.058 2.835 1.893
139 HA VAL 20 HA VAL 20 6.603 2.419 -0.625
140 HB VAL 20 HB VAL 20 6.832 0.413 1.599
141 1HG1 VAL 20 1HG1 VAL 20 6.443 0.119 -1.375
142 2HG1 VAL 20 2HG1 VAL 20 5.190 -0.037 -0.142
143 3HG1 VAL 20 3HG1 VAL 20 6.513 -1.202 -0.208
144 1HG2 VAL 20 1HG2 VAL 20 8.799 0.834 -0.648
145 2HG2 VAL 20 2HG2 VAL 20 8.801 -0.527 0.474
146 3HG2 VAL 20 3HG2 VAL 20 9.103 1.107 1.068
147 H TYR 21 H TYR 21 4.782 3.635 -0.396
148 HA TYR 21 HA TYR 21 3.221 3.303 2.052
149 1HB TYR 21 1HB TYR 21 2.474 5.408 1.832
150 2HB TYR 21 2HB TYR 21 3.940 5.580 0.890
151 HD1 TYR 21 HD1 TYR 21 0.412 4.467 0.250
152 HD2 TYR 21 HD2 TYR 21 3.744 6.780 -1.043
153 HE1 TYR 21 HE1 TYR 21 -0.888 5.257 -1.684
154 HE2 TYR 21 HE2 TYR 21 2.449 7.579 -2.972
155 HH TYR 21 HH TYR 21 -0.894 7.202 -3.229
156 H PHE 22 H PHE 22 0.983 2.931 2.015
157 HA PHE 22 HA PHE 22 0.015 1.612 -0.427
158 1HB PHE 22 1HB PHE 22 -0.022 0.662 2.415
159 2HB PHE 22 2HB PHE 22 -1.261 0.123 1.295
160 HD1 PHE 22 HD1 PHE 22 2.386 0.719 0.984
161 HD2 PHE 22 HD2 PHE 22 -0.820 -2.059 0.598
162 HE1 PHE 22 HE1 PHE 22 3.933 -0.946 0.096
163 HE2 PHE 22 HE2 PHE 22 0.734 -3.716 -0.297
164 HZ PHE 22 HZ PHE 22 3.088 -3.128 -0.573
165 H VAL 23 H VAL 23 -1.953 2.111 -1.097
166 HA VAL 23 HA VAL 23 -3.697 3.633 0.718
167 HB VAL 23 HB VAL 23 -3.125 4.096 -2.200
168 1HG1 VAL 23 1HG1 VAL 23 -5.552 3.918 -1.999
169 2HG1 VAL 23 2HG1 VAL 23 -5.066 5.587 -2.296
170 3HG1 VAL 23 3HG1 VAL 23 -5.536 5.081 -0.673
171 1HG2 VAL 23 1HG2 VAL 23 -2.790 6.376 -1.504
172 2HG2 VAL 23 2HG2 VAL 23 -1.845 5.317 -0.457
173 3HG2 VAL 23 3HG2 VAL 23 -3.361 6.004 0.123
174 H ASN 24 H ASN 24 -4.814 1.816 1.351
175 HA ASN 24 HA ASN 24 -6.618 0.721 -0.686
176 1HB ASN 24 1HB ASN 24 -5.007 -1.043 -0.375
177 2HB ASN 24 2HB ASN 24 -5.073 -0.867 1.377
178 1HD2 ASN 24 1HD2 ASN 24 -5.642 -3.143 -0.484
179 2HD2 ASN 24 2HD2 ASN 24 -7.212 -3.696 -0.026
180 H HIS 25 H HIS 25 -8.725 0.607 0.007
181 HA HIS 25 HA HIS 25 -9.186 0.801 2.856
182 1HB HIS 25 1HB HIS 25 -10.491 2.866 2.729
183 2HB HIS 25 2HB HIS 25 -8.815 3.124 2.249
184 HD1 HIS 25 HD1 HIS 25 -12.229 3.660 1.137
185 HD2 HIS 25 HD2 HIS 25 -8.509 3.270 -0.672
186 HE1 HIS 25 HE1 HIS 25 -12.511 4.582 -1.185
187 HE2 HIS 25 HE2 HIS 25 -10.278 4.228 -2.297
188 H ASN 26 H ASN 26 -10.335 -1.227 2.558
189 HA ASN 26 HA ASN 26 -12.546 -1.541 0.901
190 1HB ASN 26 1HB ASN 26 -11.755 -3.335 2.472
191 2HB ASN 26 2HB ASN 26 -12.373 -2.390 3.824
192 1HD2 ASN 26 1HD2 ASN 26 -14.023 -2.528 0.770
193 2HD2 ASN 26 2HD2 ASN 26 -15.361 -3.483 1.307
194 H THR 27 H THR 27 -12.452 -0.438 4.251
195 HA THR 27 HA THR 27 -14.707 1.359 3.815
196 HB THR 27 HB THR 27 -13.111 1.001 6.366
197 HG1 THR 27 HG1 THR 27 -15.575 -0.297 5.893
198 1HG2 THR 27 1HG2 THR 27 -14.607 2.990 6.138
199 2HG2 THR 27 2HG2 THR 27 -15.050 1.906 7.456
200 3HG2 THR 27 3HG2 THR 27 -15.966 1.884 5.950
201 H ARG 28 H ARG 28 -11.813 1.886 5.788
202 HA ARG 28 HA ARG 28 -10.693 3.827 3.962
203 1HB ARG 28 1HB ARG 28 -10.740 5.705 5.505
204 2HB ARG 28 2HB ARG 28 -12.375 5.169 5.145
205 1HG ARG 28 1HG ARG 28 -10.934 4.227 7.597
206 2HG ARG 28 2HG ARG 28 -11.799 5.764 7.564
207 1HD ARG 28 1HD ARG 28 -12.980 3.055 6.958
208 2HD ARG 28 2HD ARG 28 -13.193 3.963 8.455
209 HE ARG 28 HE ARG 28 -14.141 4.958 5.847
210 1HH1 ARG 28 1HH1 ARG 28 -14.593 4.352 9.245
211 2HH1 ARG 28 2HH1 ARG 28 -16.162 5.082 9.300
212 1HH2 ARG 28 1HH2 ARG 28 -16.207 5.923 5.906
213 2HH2 ARG 28 2HH2 ARG 28 -17.082 5.973 7.400
214 H ILE 29 H ILE 29 -8.613 2.770 3.963
215 HA ILE 29 HA ILE 29 -7.202 3.070 6.505
216 HB ILE 29 HB ILE 29 -8.086 0.783 6.574
217 1HG1 ILE 29 1HG1 ILE 29 -5.833 1.467 7.551
218 2HG1 ILE 29 2HG1 ILE 29 -6.091 -0.257 7.304
219 1HG2 ILE 29 1HG2 ILE 29 -6.392 0.303 4.132
220 2HG2 ILE 29 2HG2 ILE 29 -8.155 0.343 4.176
221 3HG2 ILE 29 3HG2 ILE 29 -7.279 -0.920 5.042
222 1HD1 ILE 29 1HD1 ILE 29 -3.851 0.414 6.651
223 2HD1 ILE 29 2HD1 ILE 29 -4.520 1.563 5.495
224 3HD1 ILE 29 3HD1 ILE 29 -4.769 -0.165 5.261
225 H TPO 30 H TPO 30 -5.061 3.532 6.348
226 HA TPO 30 HA TPO 30 -3.686 3.132 3.811
227 HB TPO 30 HB TPO 30 -2.874 5.491 3.771
228 1HG2 TPO 30 1HG2 TPO 30 -4.904 6.424 2.770
229 2HG2 TPO 30 2HG2 TPO 30 -5.862 5.138 3.506
230 3HG2 TPO 30 3HG2 TPO 30 -4.661 4.748 2.273
231 H GLN 31 H GLN 31 -1.755 2.374 4.178
232 HA GLN 31 HA GLN 31 -0.060 3.376 6.331
233 1HB GLN 31 1HB GLN 31 0.519 1.021 6.991
234 2HB GLN 31 2HB GLN 31 -1.098 1.513 7.443
235 1HG GLN 31 1HG GLN 31 -2.072 0.262 5.679
236 2HG GLN 31 2HG GLN 31 -0.492 -0.051 4.960
237 1HE2 GLN 31 1HE2 GLN 31 0.754 -0.533 7.549
238 2HE2 GLN 31 2HE2 GLN 31 0.226 -2.099 8.052
239 H TRP 32 H TRP 32 2.239 2.972 5.853
240 HA TRP 32 HA TRP 32 2.582 2.324 3.019
241 1HB TRP 32 1HB TRP 32 4.842 2.949 4.881
242 2HB TRP 32 2HB TRP 32 4.655 3.360 3.180
243 HD1 TRP 32 HD1 TRP 32 2.362 4.273 6.198
244 HE1 TRP 32 HE1 TRP 32 2.061 6.831 6.186
245 HE3 TRP 32 HE3 TRP 32 5.405 5.408 2.277
246 HZ2 TRP 32 HZ2 TRP 32 3.006 9.045 4.696
247 HZ3 TRP 32 HZ3 TRP 32 5.650 7.744 1.613
248 HH2 TRP 32 HH2 TRP 32 4.486 9.539 2.794
249 H GLU 33 H GLU 33 1.934 0.019 3.526
250 HA GLU 33 HA GLU 33 4.353 -1.545 3.736
251 1HB GLU 33 1HB GLU 33 3.852 -1.513 6.063
252 2HB GLU 33 2HB GLU 33 2.153 -1.881 5.762
253 1HG GLU 33 1HG GLU 33 3.188 -3.996 4.566
254 2HG GLU 33 2HG GLU 33 4.526 -3.661 5.673
255 H ASP 34 H ASP 34 4.201 -3.676 2.900
256 HA ASP 34 HA ASP 34 2.065 -4.196 1.086
257 1HB ASP 34 1HB ASP 34 3.011 -6.482 0.936
258 2HB ASP 34 2HB ASP 34 4.288 -5.275 0.823
259 HA PRO 35 HA PRO 35 -0.607 -5.400 4.443
260 1HB PRO 35 1HB PRO 35 -2.722 -6.012 2.591
261 2HB PRO 35 2HB PRO 35 -2.482 -4.548 3.543
262 1HG PRO 35 1HG PRO 35 -2.297 -4.529 0.858
263 2HG PRO 35 2HG PRO 35 -1.279 -3.495 1.869
264 1HD PRO 35 1HD PRO 35 -0.606 -6.242 0.811
265 2HD PRO 35 2HD PRO 35 0.282 -4.737 0.521
266 H ARG 36 H ARG 36 1.081 -7.547 3.142
267 HA ARG 36 HA ARG 36 1.219 -9.825 2.971
268 1HB ARG 36 1HB ARG 36 0.717 -10.948 4.959
269 2HB ARG 36 2HB ARG 36 0.930 -9.282 5.480
270 1HG ARG 36 1HG ARG 36 -1.426 -8.955 5.647
271 2HG ARG 36 2HG ARG 36 -1.750 -10.510 4.882
272 1HD ARG 36 1HD ARG 36 -2.061 -11.003 7.115
273 2HD ARG 36 2HD ARG 36 -0.380 -11.476 6.867
274 HE ARG 36 HE ARG 36 -0.008 -9.027 7.731
275 1HH1 ARG 36 1HH1 ARG 36 -2.297 -11.397 8.857
276 2HH1 ARG 36 2HH1 ARG 36 -2.323 -10.794 10.481
277 1HH2 ARG 36 1HH2 ARG 36 -0.034 -8.221 9.870
278 2HH2 ARG 36 2HH2 ARG 36 -1.037 -8.987 11.056
279 H SER 37 H SER 37 -1.200 -8.411 1.719
280 HA SER 37 HA SER 37 -2.796 -9.146 0.242
281 1HB SER 37 1HB SER 37 -2.293 -11.885 1.434
282 2HB SER 37 2HB SER 37 -3.289 -11.551 0.018
283 HG SER 37 HG SER 37 -0.850 -10.438 -0.255