Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
566674 | 2mdg RC | 19486 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 HT1 MET 1 -12.818 22.289 7.016
2 H2 MET 1 HT2 MET 1 -13.042 23.868 6.468
3 H3 MET 1 HT3 MET 1 -12.611 23.585 8.079
4 HA MET 1 HA MET 1 -10.957 22.970 5.707
5 HB2 MET 1 HB2 MET 1 -10.645 25.165 7.809
6 HB3 MET 1 HB1 MET 1 -9.476 24.811 6.540
7 HG2 MET 1 HG2 MET 1 -12.296 25.843 6.153
8 HG3 MET 1 HG1 MET 1 -10.796 26.745 5.916
9 HE1 MET 1 HE1 MET 1 -11.465 27.491 3.416
10 HE2 MET 1 HE2 MET 1 -13.025 26.714 3.697
11 HE3 MET 1 HE3 MET 1 -12.114 26.353 2.232
12 H GLY 2 HN GLY 2 -8.500 23.119 6.864
13 HA2 GLY 2 HA2 GLY 2 -7.871 22.084 9.287
14 HA3 GLY 2 HA1 GLY 2 -8.361 20.652 8.383
15 H SER 3 HN SER 3 -6.451 19.645 8.124
16 HA SER 3 HA SER 3 -4.547 20.743 6.221
17 HB2 SER 3 HB2 SER 3 -2.574 20.209 7.742
18 HB3 SER 3 HB1 SER 3 -3.538 21.585 8.264
19 HG SER 3 HG SER 3 -4.515 19.327 9.358
20 H HIS 4 HN HIS 4 -5.081 19.106 4.875
21 HA HIS 4 HA HIS 4 -5.081 16.357 5.336
22 HB2 HIS 4 HB2 HIS 4 -5.366 17.892 3.040
23 HB3 HIS 4 HB1 HIS 4 -3.829 17.094 2.715
24 HD1 HIS 4 HD1 HIS 4 -7.316 16.626 2.194
25 HD2 HIS 4 HD2 HIS 4 -4.183 14.095 3.221
26 HE1 HIS 4 HE1 HIS 4 -8.129 14.304 1.714
27 HE2 HIS 4 HE2 HIS 4 -6.328 12.804 2.609
28 H LYS 5 HN LYS 5 -3.535 15.440 6.579
29 HA LYS 5 HA LYS 5 -0.668 16.080 6.113
30 HB2 LYS 5 HB2 LYS 5 -1.724 17.217 8.125
31 HB3 LYS 5 HB1 LYS 5 -2.020 15.623 8.808
32 HG2 LYS 5 HG2 LYS 5 0.401 15.193 8.903
33 HG3 LYS 5 HG1 LYS 5 0.718 16.758 8.148
34 HD2 LYS 5 HD2 LYS 5 1.093 17.015 10.512
35 HD3 LYS 5 HD1 LYS 5 -0.404 17.861 10.125
36 HE2 LYS 5 HE2 LYS 5 -1.713 15.972 11.004
37 HE3 LYS 5 HE1 LYS 5 -0.228 15.077 11.332
38 HZ1 LYS 5 HZ1 LYS 5 -1.049 16.095 13.321
39 HZ2 LYS 5 HZ2 LYS 5 -1.054 17.623 12.603
40 HZ3 LYS 5 HZ3 LYS 5 0.411 16.826 12.887
41 H CYS 6 HN CYS 6 0.836 14.386 6.709
42 HA CYS 6 HA CYS 6 0.112 11.915 5.612
43 HB2 CYS 6 HB2 CYS 6 2.412 12.721 5.467
44 HB3 CYS 6 HB1 CYS 6 2.602 12.621 7.229
45 H ASN 7 HN ASN 7 0.534 12.856 8.984
46 HA ASN 7 HA ASN 7 -0.143 12.066 10.945
47 HB2 ASN 7 HB2 ASN 7 -2.030 10.798 11.195
48 HB3 ASN 7 HB1 ASN 7 -2.173 11.037 9.463
49 HD21 ASN 7 HD21 ASN 7 -1.408 8.737 11.991
50 HD22 ASN 7 HD22 ASN 7 -1.550 7.323 11.004
51 H VAL 8 HN VAL 8 0.949 9.379 8.842
52 HA VAL 8 HA VAL 8 2.372 7.863 10.727
53 HB VAL 8 HB VAL 8 3.160 8.248 7.802
54 HG11 VAL 8 HG11 VAL 8 4.048 5.944 7.948
55 HG12 VAL 8 HG12 VAL 8 3.595 5.879 9.652
56 HG13 VAL 8 HG13 VAL 8 4.839 7.007 9.116
57 HG21 VAL 8 HG21 VAL 8 0.757 7.730 7.927
58 HG22 VAL 8 HG22 VAL 8 1.095 6.337 8.956
59 HG23 VAL 8 HG23 VAL 8 1.644 6.347 7.281
60 H CYS 9 HN CYS 9 3.656 10.333 8.466
61 HA CYS 9 HA CYS 9 6.063 10.780 10.022
62 HB2 CYS 9 HB2 CYS 9 4.905 12.453 7.754
63 HB3 CYS 9 HB1 CYS 9 6.511 12.645 8.446
64 H SER 10 HN SER 10 3.068 12.497 9.287
65 HA SER 10 HA SER 10 1.875 14.159 10.180
66 HB2 SER 10 HB2 SER 10 2.033 12.925 12.314
67 HB3 SER 10 HB1 SER 10 3.563 13.717 12.687
68 HG SER 10 HG SER 10 1.643 14.644 13.695
69 H ARG 11 HN ARG 11 5.032 14.492 9.346
70 HA ARG 11 HA ARG 11 5.257 17.359 10.084
71 HB2 ARG 11 HB2 ARG 11 7.492 15.439 9.349
72 HB3 ARG 11 HB1 ARG 11 7.670 17.064 10.007
73 HG2 ARG 11 HG2 ARG 11 6.703 16.314 12.141
74 HG3 ARG 11 HG1 ARG 11 6.475 14.693 11.476
75 HD2 ARG 11 HD2 ARG 11 9.110 16.111 11.994
76 HD3 ARG 11 HD1 ARG 11 8.488 14.678 12.813
77 HE ARG 11 HE ARG 11 8.645 13.567 10.528
78 HH11 ARG 11 HH11 ARG 11 10.875 16.077 11.538
79 HH12 ARG 11 HH12 ARG 11 12.124 15.567 10.450
80 HH21 ARG 11 HH21 ARG 11 10.295 12.920 9.111
81 HH22 ARG 11 HH22 ARG 11 11.804 13.772 9.092
82 H THR 12 HN THR 12 4.252 15.835 7.361
83 HA THR 12 HA THR 12 5.578 17.723 5.586
84 HB THR 12 HB THR 12 7.227 15.861 5.709
85 HG1 THR 12 HG1 THR 12 7.251 17.014 3.816
86 HG21 THR 12 HG21 THR 12 6.730 13.715 4.562
87 HG22 THR 12 HG22 THR 12 5.042 14.202 4.403
88 HG23 THR 12 HG23 THR 12 5.733 13.931 6.004
89 H PHE 13 HN PHE 13 4.557 18.222 3.905
90 HA PHE 13 HA PHE 13 3.283 16.581 2.062
91 HB2 PHE 13 HB2 PHE 13 1.075 17.926 1.849
92 HB3 PHE 13 HB1 PHE 13 1.134 16.704 3.087
93 HD1 PHE 13 HD2 PHE 13 1.123 20.342 2.426
94 HD2 PHE 13 HD1 PHE 13 0.948 17.325 5.452
95 HE1 PHE 13 HE2 PHE 13 0.364 22.017 4.057
96 HE2 PHE 13 HE1 PHE 13 0.184 19.007 7.072
97 HZ PHE 13 HZ PHE 13 -0.110 21.352 6.384
98 H PHE 14 HN PHE 14 3.349 17.600 0.031
99 HA PHE 14 HA PHE 14 4.644 20.205 -0.170
100 HB2 PHE 14 HB2 PHE 14 5.305 18.406 -1.730
101 HB3 PHE 14 HB1 PHE 14 3.642 18.229 -2.278
102 HD1 PHE 14 HD1 PHE 14 6.365 20.821 -2.060
103 HD2 PHE 14 HD2 PHE 14 2.999 19.346 -4.263
104 HE1 PHE 14 HE1 PHE 14 6.790 22.470 -3.833
105 HE2 PHE 14 HE2 PHE 14 3.446 20.995 -6.032
106 HZ PHE 14 HZ PHE 14 5.342 22.560 -5.826
107 H SER 15 HN SER 15 1.550 18.723 -0.444
108 HA SER 15 HA SER 15 -0.077 21.037 -0.298
109 HB2 SER 15 HB2 SER 15 -1.131 20.793 -2.615
110 HB3 SER 15 HB1 SER 15 0.515 21.424 -2.640
111 HG SER 15 HG SER 15 0.914 19.837 -3.944
112 H GLU 16 HN GLU 16 -2.520 20.049 -1.217
113 HA GLU 16 HA GLU 16 -3.027 17.742 0.436
114 HB2 GLU 16 HB2 GLU 16 -4.863 19.320 0.017
115 HB3 GLU 16 HB1 GLU 16 -4.773 19.021 -1.714
116 HG2 GLU 16 HG2 GLU 16 -5.537 16.723 -1.414
117 HG3 GLU 16 HG1 GLU 16 -5.504 16.906 0.339
118 H ASN 17 HN ASN 17 -2.535 18.312 -3.039
119 HA ASN 17 HA ASN 17 -2.960 15.615 -3.948
120 HB2 ASN 17 HB2 ASN 17 -3.219 17.562 -5.465
121 HB3 ASN 17 HB1 ASN 17 -1.525 17.980 -5.238
122 HD21 ASN 17 HD21 ASN 17 -0.950 17.817 -7.385
123 HD22 ASN 17 HD22 ASN 17 -0.934 16.334 -8.274
124 H GLY 18 HN GLY 18 -0.264 17.600 -3.041
125 HA2 GLY 18 HA2 GLY 18 1.955 15.956 -3.501
126 HA3 GLY 18 HA1 GLY 18 1.859 17.183 -2.245
127 H LEU 19 HN LEU 19 -0.036 16.226 -0.536
128 HA LEU 19 HA LEU 19 1.174 14.178 0.909
129 HB2 LEU 19 HB2 LEU 19 -0.434 16.071 1.623
130 HB3 LEU 19 HB1 LEU 19 -1.732 14.997 1.187
131 HG LEU 19 HG LEU 19 -0.988 15.140 3.689
132 HD11 LEU 19 HD11 LEU 19 -1.512 12.787 4.151
133 HD12 LEU 19 HD12 LEU 19 -1.339 12.412 2.434
134 HD13 LEU 19 HD13 LEU 19 -2.614 13.504 2.979
135 HD21 LEU 19 HD21 LEU 19 1.445 14.891 3.259
136 HD22 LEU 19 HD22 LEU 19 1.171 13.221 2.741
137 HD23 LEU 19 HD23 LEU 19 0.821 13.711 4.398
138 H ARG 20 HN ARG 20 -1.590 14.098 -1.298
139 HA ARG 20 HA ARG 20 -2.489 11.465 -0.941
140 HB2 ARG 20 HB2 ARG 20 -2.411 13.182 -3.454
141 HB3 ARG 20 HB1 ARG 20 -3.268 11.654 -3.375
142 HG2 ARG 20 HG2 ARG 20 -3.977 13.751 -1.336
143 HG3 ARG 20 HG1 ARG 20 -4.496 14.010 -3.001
144 HD2 ARG 20 HD2 ARG 20 -6.244 12.926 -1.668
145 HD3 ARG 20 HD1 ARG 20 -5.708 11.881 -2.985
146 HE ARG 20 HE ARG 20 -4.856 11.554 -0.164
147 HH11 ARG 20 HH11 ARG 20 -5.785 10.104 -3.220
148 HH12 ARG 20 HH12 ARG 20 -5.814 8.491 -2.583
149 HH21 ARG 20 HH21 ARG 20 -4.901 9.446 0.666
150 HH22 ARG 20 HH22 ARG 20 -5.289 8.118 -0.380
151 H GLU 21 HN GLU 21 -0.118 12.666 -3.330
152 HA GLU 21 HA GLU 21 0.812 10.221 -4.308
153 HB2 GLU 21 HB2 GLU 21 1.318 12.418 -5.363
154 HB3 GLU 21 HB1 GLU 21 2.342 12.831 -3.991
155 HG2 GLU 21 HG2 GLU 21 3.816 10.847 -4.603
156 HG3 GLU 21 HG1 GLU 21 2.854 10.669 -6.070
157 H HIS 22 HN HIS 22 1.888 12.158 -1.552
158 HA HIS 22 HA HIS 22 4.155 10.590 -0.871
159 HB2 HIS 22 HB2 HIS 22 4.107 12.916 -0.185
160 HB3 HIS 22 HB1 HIS 22 2.632 12.673 0.746
161 HD1 HIS 22 HD1 HIS 22 6.270 11.562 0.775
162 HD2 HIS 22 HD2 HIS 22 3.039 12.016 3.333
163 HE1 HIS 22 HE1 HIS 22 7.064 10.836 3.057
164 H LEU 23 HN LEU 23 0.767 10.245 -0.098
165 HA LEU 23 HA LEU 23 0.990 8.930 2.373
166 HB2 LEU 23 HB2 LEU 23 -1.124 9.938 1.302
167 HB3 LEU 23 HB1 LEU 23 -1.244 8.443 0.388
168 HG LEU 23 HG LEU 23 -1.221 7.190 2.618
169 HD11 LEU 23 HD11 LEU 23 -1.659 9.966 3.761
170 HD12 LEU 23 HD12 LEU 23 -0.251 8.936 4.027
171 HD13 LEU 23 HD13 LEU 23 -1.826 8.450 4.653
172 HD21 LEU 23 HD21 LEU 23 -3.309 7.513 1.350
173 HD22 LEU 23 HD22 LEU 23 -3.559 9.067 2.150
174 HD23 LEU 23 HD23 LEU 23 -3.594 7.573 3.087
175 H GLN 24 HN GLN 24 1.265 7.780 -0.920
176 HA GLN 24 HA GLN 24 0.933 4.996 -0.373
177 HB2 GLN 24 HB2 GLN 24 1.969 6.439 -2.817
178 HB3 GLN 24 HB1 GLN 24 1.575 4.723 -2.750
179 HG2 GLN 24 HG2 GLN 24 -0.424 6.930 -2.203
180 HG3 GLN 24 HG1 GLN 24 -0.165 6.204 -3.772
181 HE21 GLN 24 HE21 GLN 24 -2.327 5.509 -3.871
182 HE22 GLN 24 HE22 GLN 24 -2.903 4.173 -2.945
183 H THR 25 HN THR 25 3.597 7.143 -0.039
184 HA THR 25 HA THR 25 5.783 5.493 -0.757
185 HB THR 25 HB THR 25 7.212 7.035 0.510
186 HG1 THR 25 HG1 THR 25 5.360 8.765 1.424
187 HG21 THR 25 HG21 THR 25 6.379 7.848 -1.673
188 HG22 THR 25 HG22 THR 25 6.593 9.174 -0.528
189 HG23 THR 25 HG23 THR 25 4.978 8.552 -0.860
190 H HIS 26 HN HIS 26 3.633 5.186 1.862
191 HA HIS 26 HA HIS 26 5.586 3.840 3.612
192 HB2 HIS 26 HB2 HIS 26 2.781 4.868 4.214
193 HB3 HIS 26 HB1 HIS 26 3.803 4.017 5.375
194 HD1 HIS 26 HD1 HIS 26 6.014 5.295 6.147
195 HD2 HIS 26 HD2 HIS 26 3.342 7.552 3.892
196 HE1 HIS 26 HE1 HIS 26 6.769 7.696 6.336
197 H ARG 27 HN ARG 27 2.958 3.135 1.409
198 HA ARG 27 HA ARG 27 2.580 0.406 2.085
199 HB2 ARG 27 HB2 ARG 27 2.845 1.417 -0.789
200 HB3 ARG 27 HB1 ARG 27 1.910 0.040 -0.216
201 HG2 ARG 27 HG2 ARG 27 1.260 2.949 0.349
202 HG3 ARG 27 HG1 ARG 27 0.521 1.972 -0.917
203 HD2 ARG 27 HD2 ARG 27 -0.431 0.467 0.774
204 HD3 ARG 27 HD1 ARG 27 0.334 1.414 2.063
205 HE ARG 27 HE ARG 27 -1.336 2.983 0.311
206 HH11 ARG 27 HH11 ARG 27 -1.383 1.006 3.204
207 HH12 ARG 27 HH12 ARG 27 -2.854 1.698 3.805
208 HH21 ARG 27 HH21 ARG 27 -3.263 3.891 1.110
209 HH22 ARG 27 HH22 ARG 27 -3.924 3.338 2.616
210 H GLY 28 HN GLY 28 4.951 2.141 0.177
211 HA2 GLY 28 HA2 GLY 28 7.295 1.714 0.155
212 HA3 GLY 28 HA1 GLY 28 6.980 0.018 0.505
213 HA PRO 29 HA PRO 29 7.504 0.688 -4.190
214 HB2 PRO 29 HB2 PRO 29 9.912 -0.580 -4.533
215 HB3 PRO 29 HB1 PRO 29 9.777 1.148 -4.193
216 HG2 PRO 29 HG2 PRO 29 10.417 -1.108 -2.315
217 HG3 PRO 29 HG1 PRO 29 11.145 0.508 -2.424
218 HD2 PRO 29 HD2 PRO 29 9.257 -0.139 -0.551
219 HD3 PRO 29 HD1 PRO 29 9.447 1.503 -1.203
220 H ALA 30 HN ALA 30 6.235 -0.798 -5.195
221 HA ALA 30 HA ALA 30 5.695 -3.334 -4.026
222 HB1 ALA 30 HB1 ALA 30 4.770 -2.249 -6.711
223 HB2 ALA 30 HB2 ALA 30 3.967 -1.985 -5.161
224 HB3 ALA 30 HB3 ALA 30 4.074 -3.612 -5.827
225 H LYS 31 HN LYS 31 7.841 -4.254 -4.073
226 HA LYS 31 HA LYS 31 8.349 -5.829 -6.538
227 HB2 LYS 31 HB2 LYS 31 10.243 -5.325 -4.194
228 HB3 LYS 31 HB1 LYS 31 10.624 -6.221 -5.661
229 HG2 LYS 31 HG2 LYS 31 10.347 -4.129 -6.979
230 HG3 LYS 31 HG1 LYS 31 10.034 -3.248 -5.482
231 HD2 LYS 31 HD2 LYS 31 12.618 -4.671 -6.244
232 HD3 LYS 31 HD1 LYS 31 12.370 -2.924 -6.172
233 HE2 LYS 31 HE2 LYS 31 12.340 -4.859 -3.825
234 HE3 LYS 31 HE1 LYS 31 13.579 -3.662 -4.201
235 HZ1 LYS 31 HZ1 LYS 31 10.779 -3.115 -3.365
236 HZ2 LYS 31 HZ2 LYS 31 11.874 -1.923 -3.873
237 HZ3 LYS 31 HZ3 LYS 31 12.192 -2.823 -2.476
238 H HIS 32 HN HIS 32 6.235 -6.574 -5.370
239 HA HIS 32 HA HIS 32 6.541 -9.132 -4.208
240 HB2 HIS 32 HB2 HIS 32 5.619 -8.721 -1.957
241 HB3 HIS 32 HB1 HIS 32 7.092 -7.788 -2.160
242 HD1 HIS 32 HD1 HIS 32 3.690 -7.434 -1.009
243 HD2 HIS 32 HD2 HIS 32 6.464 -4.944 -2.848
244 HE1 HIS 32 HE1 HIS 32 2.859 -5.095 -0.640
245 HE2 HIS 32 HE2 HIS 32 4.660 -3.616 -1.573
246 H TYR 33 HN TYR 33 4.310 -10.018 -3.621
247 HA TYR 33 HA TYR 33 2.055 -8.380 -4.554
248 HB2 TYR 33 HB2 TYR 33 2.969 -10.011 -6.439
249 HB3 TYR 33 HB1 TYR 33 2.174 -11.266 -5.507
250 HD1 TYR 33 HD1 TYR 33 1.531 -8.015 -7.267
251 HD2 TYR 33 HD2 TYR 33 -0.211 -11.571 -5.682
252 HE1 TYR 33 HE1 TYR 33 -0.619 -7.443 -8.322
253 HE2 TYR 33 HE2 TYR 33 -2.343 -11.010 -6.741
254 HH TYR 33 HH TYR 33 -3.521 -8.942 -7.513
255 H MET 34 HN MET 34 0.069 -8.936 -3.628
256 HA MET 34 HA MET 34 0.159 -10.682 -1.240
257 HB2 MET 34 HB2 MET 34 -0.411 -8.281 -0.863
258 HB3 MET 34 HB1 MET 34 -1.735 -8.412 -2.011
259 HG2 MET 34 HG2 MET 34 -2.805 -10.081 -0.482
260 HG3 MET 34 HG1 MET 34 -1.529 -9.767 0.690
261 HE1 MET 34 HE1 MET 34 -1.149 -6.539 0.163
262 HE2 MET 34 HE2 MET 34 -1.114 -7.296 1.757
263 HE3 MET 34 HE3 MET 34 -2.178 -5.928 1.466
264 H CYS 35 HN CYS 35 -1.355 -12.335 -1.073
265 HA CYS 35 HA CYS 35 -2.071 -13.584 -3.500
266 HB2 CYS 35 HB2 CYS 35 -1.430 -14.760 -1.433
267 HB3 CYS 35 HB1 CYS 35 -2.902 -14.241 -0.675
268 HA PRO 36 HA PRO 36 -6.318 -12.030 -4.108
269 HB2 PRO 36 HB2 PRO 36 -6.674 -14.620 -5.591
270 HB3 PRO 36 HB1 PRO 36 -6.972 -12.966 -6.146
271 HG2 PRO 36 HG2 PRO 36 -4.845 -14.322 -7.027
272 HG3 PRO 36 HG1 PRO 36 -4.712 -12.591 -6.645
273 HD2 PRO 36 HD2 PRO 36 -3.851 -14.966 -5.001
274 HD3 PRO 36 HD1 PRO 36 -2.989 -13.443 -5.315
275 H ILE 37 HN ILE 37 -5.750 -15.504 -3.343
276 HA ILE 37 HA ILE 37 -8.439 -15.913 -2.430
277 HB ILE 37 HB ILE 37 -6.034 -17.773 -2.221
278 HG12 ILE 37 HG12 ILE 37 -8.051 -17.606 -4.528
279 HG13 ILE 37 HG11 ILE 37 -6.413 -16.971 -4.602
280 HG21 ILE 37 HG21 ILE 37 -7.712 -19.585 -2.218
281 HG22 ILE 37 HG22 ILE 37 -9.007 -18.388 -2.268
282 HG23 ILE 37 HG23 ILE 37 -7.949 -18.489 -0.860
283 HD11 ILE 37 HD11 ILE 37 -6.573 -19.094 -5.748
284 HD12 ILE 37 HD12 ILE 37 -7.190 -19.874 -4.294
285 HD13 ILE 37 HD13 ILE 37 -5.537 -19.260 -4.329
286 H CYS 38 HN CYS 38 -5.242 -16.239 -0.719
287 HA CYS 38 HA CYS 38 -6.670 -15.905 1.849
288 HB2 CYS 38 HB2 CYS 38 -5.122 -17.403 2.848
289 HB3 CYS 38 HB1 CYS 38 -5.607 -18.147 1.339
290 H GLY 39 HN GLY 39 -4.636 -14.095 -0.054
291 HA2 GLY 39 HA2 GLY 39 -3.593 -12.148 0.260
292 HA3 GLY 39 HA1 GLY 39 -4.279 -12.093 1.872
293 H GLU 40 HN GLU 40 -2.215 -14.806 1.360
294 HA GLU 40 HA GLU 40 -0.038 -13.898 2.881
295 HB2 GLU 40 HB2 GLU 40 -0.292 -16.176 0.889
296 HB3 GLU 40 HB1 GLU 40 1.152 -15.919 1.862
297 HG2 GLU 40 HG2 GLU 40 -1.629 -16.421 2.958
298 HG3 GLU 40 HG1 GLU 40 -0.358 -17.624 2.817
299 H ARG 41 HN ARG 41 2.058 -13.266 2.262
300 HA ARG 41 HA ARG 41 2.100 -11.738 -0.275
301 HB2 ARG 41 HB2 ARG 41 3.515 -10.047 0.877
302 HB3 ARG 41 HB1 ARG 41 1.918 -10.192 1.585
303 HG2 ARG 41 HG2 ARG 41 4.323 -11.573 2.812
304 HG3 ARG 41 HG1 ARG 41 3.911 -9.897 3.175
305 HD2 ARG 41 HD2 ARG 41 1.783 -10.550 4.108
306 HD3 ARG 41 HD1 ARG 41 1.997 -12.216 3.577
307 HE ARG 41 HE ARG 41 3.957 -11.110 5.442
308 HH11 ARG 41 HH11 ARG 41 1.157 -13.188 5.038
309 HH12 ARG 41 HH12 ARG 41 1.443 -14.069 6.499
310 HH21 ARG 41 HH21 ARG 41 4.310 -12.249 7.390
311 HH22 ARG 41 HH22 ARG 41 3.224 -13.524 7.846
312 H PHE 42 HN PHE 42 3.794 -11.983 -1.594
313 HA PHE 42 HA PHE 42 6.131 -13.582 -0.739
314 HB2 PHE 42 HB2 PHE 42 4.289 -14.042 -3.119
315 HB3 PHE 42 HB1 PHE 42 5.949 -14.617 -3.137
316 HD1 PHE 42 HD1 PHE 42 2.718 -14.933 -1.293
317 HD2 PHE 42 HD2 PHE 42 6.602 -16.591 -1.965
318 HE1 PHE 42 HE1 PHE 42 2.098 -16.928 -0.006
319 HE2 PHE 42 HE2 PHE 42 5.964 -18.590 -0.680
320 HZ PHE 42 HZ PHE 42 3.714 -18.756 0.306
321 HA PRO 43 HA PRO 43 8.574 -10.362 -2.369
322 HB2 PRO 43 HB2 PRO 43 10.800 -11.597 -3.368
323 HB3 PRO 43 HB1 PRO 43 10.417 -11.556 -1.642
324 HG2 PRO 43 HG2 PRO 43 9.887 -13.744 -3.651
325 HG3 PRO 43 HG1 PRO 43 10.605 -13.865 -2.029
326 HD2 PRO 43 HD2 PRO 43 8.006 -14.444 -2.469
327 HD3 PRO 43 HD1 PRO 43 8.538 -13.670 -0.957
328 H SER 44 HN SER 44 7.061 -12.265 -4.699
329 HA SER 44 HA SER 44 7.302 -10.122 -6.614
330 HB2 SER 44 HB2 SER 44 8.051 -11.632 -8.523
331 HB3 SER 44 HB1 SER 44 9.293 -11.334 -7.313
332 HG SER 44 HG SER 44 9.419 -13.412 -7.150
333 H LEU 45 HN LEU 45 5.984 -10.478 -8.533
334 HA LEU 45 HA LEU 45 3.573 -12.108 -8.136
335 HB2 LEU 45 HB2 LEU 45 3.748 -9.630 -9.119
336 HB3 LEU 45 HB1 LEU 45 4.181 -10.436 -10.613
337 HG LEU 45 HG LEU 45 1.544 -10.771 -9.115
338 HD11 LEU 45 HD11 LEU 45 1.745 -8.544 -10.129
339 HD12 LEU 45 HD12 LEU 45 0.540 -9.504 -10.982
340 HD13 LEU 45 HD13 LEU 45 2.139 -9.270 -11.691
341 HD21 LEU 45 HD21 LEU 45 0.734 -11.957 -11.120
342 HD22 LEU 45 HD22 LEU 45 2.058 -12.820 -10.338
343 HD23 LEU 45 HD23 LEU 45 2.359 -11.895 -11.812
344 H LEU 46 HN LEU 46 5.256 -13.871 -8.094
345 HA LEU 46 HA LEU 46 5.338 -15.413 -10.524
346 HB2 LEU 46 HB2 LEU 46 7.329 -14.007 -10.927
347 HB3 LEU 46 HB1 LEU 46 7.914 -14.302 -9.305
348 HG LEU 46 HG LEU 46 8.333 -16.691 -9.888
349 HD11 LEU 46 HD11 LEU 46 7.492 -15.900 -12.700
350 HD12 LEU 46 HD12 LEU 46 6.644 -17.025 -11.635
351 HD13 LEU 46 HD13 LEU 46 8.247 -17.429 -12.242
352 HD21 LEU 46 HD21 LEU 46 10.158 -15.052 -10.108
353 HD22 LEU 46 HD22 LEU 46 9.678 -14.724 -11.774
354 HD23 LEU 46 HD23 LEU 46 10.289 -16.317 -11.329
355 H THR 47 HN THR 47 7.112 -15.012 -7.460
356 HA THR 47 HA THR 47 6.837 -17.609 -6.459
357 HB THR 47 HB THR 47 7.162 -16.452 -4.184
358 HG1 THR 47 HG1 THR 47 7.823 -14.081 -5.472
359 HG21 THR 47 HG21 THR 47 9.468 -15.739 -4.640
360 HG22 THR 47 HG22 THR 47 9.135 -15.718 -6.373
361 HG23 THR 47 HG23 THR 47 9.101 -17.244 -5.488
362 H LEU 48 HN LEU 48 4.724 -14.746 -6.090
363 HA LEU 48 HA LEU 48 2.729 -15.937 -4.512
364 HB2 LEU 48 HB2 LEU 48 3.094 -13.432 -5.128
365 HB3 LEU 48 HB1 LEU 48 2.200 -13.780 -6.592
366 HG LEU 48 HG LEU 48 0.877 -12.686 -4.719
367 HD11 LEU 48 HD11 LEU 48 -0.314 -13.820 -6.524
368 HD12 LEU 48 HD12 LEU 48 -1.161 -13.985 -4.992
369 HD13 LEU 48 HD13 LEU 48 -0.240 -15.345 -5.632
370 HD21 LEU 48 HD21 LEU 48 1.092 -15.385 -3.362
371 HD22 LEU 48 HD22 LEU 48 0.123 -14.012 -2.826
372 HD23 LEU 48 HD23 LEU 48 1.880 -13.893 -2.829
373 H THR 49 HN THR 49 3.209 -15.929 -8.020
374 HA THR 49 HA THR 49 0.706 -17.021 -8.781
375 HB THR 49 HB THR 49 3.372 -17.134 -10.255
376 HG1 THR 49 HG1 THR 49 1.375 -15.209 -10.748
377 HG21 THR 49 HG21 THR 49 1.655 -18.621 -11.268
378 HG22 THR 49 HG22 THR 49 2.001 -17.239 -12.311
379 HG23 THR 49 HG23 THR 49 0.528 -17.264 -11.342
380 H GLU 50 HN GLU 50 3.869 -18.489 -8.127
381 HA GLU 50 HA GLU 50 3.243 -21.195 -8.633
382 HB2 GLU 50 HB2 GLU 50 5.293 -19.962 -6.751
383 HB3 GLU 50 HB1 GLU 50 5.243 -21.673 -7.180
384 HG2 GLU 50 HG2 GLU 50 5.725 -21.175 -9.494
385 HG3 GLU 50 HG1 GLU 50 5.578 -19.444 -9.209
386 H HIS 51 HN HIS 51 3.139 -19.285 -5.649
387 HA HIS 51 HA HIS 51 2.147 -21.205 -3.860
388 HB2 HIS 51 HB2 HIS 51 2.995 -19.203 -2.911
389 HB3 HIS 51 HB1 HIS 51 2.074 -18.183 -4.008
390 HD1 HIS 51 HD1 HIS 51 1.663 -20.167 -0.804
391 HD2 HIS 51 HD2 HIS 51 -0.381 -17.407 -3.135
392 HE1 HIS 51 HE1 HIS 51 -0.323 -19.409 0.562
393 H LYS 52 HN LYS 52 0.488 -19.095 -6.142
394 HA LYS 52 HA LYS 52 -2.154 -19.348 -5.230
395 HB2 LYS 52 HB2 LYS 52 -1.093 -17.628 -6.895
396 HB3 LYS 52 HB1 LYS 52 -1.420 -18.820 -8.141
397 HG2 LYS 52 HG2 LYS 52 -3.536 -17.516 -6.374
398 HG3 LYS 52 HG1 LYS 52 -3.114 -16.994 -8.001
399 HD2 LYS 52 HD2 LYS 52 -4.373 -19.665 -7.242
400 HD3 LYS 52 HD1 LYS 52 -5.196 -18.310 -8.013
401 HE2 LYS 52 HE2 LYS 52 -2.923 -19.914 -9.239
402 HE3 LYS 52 HE1 LYS 52 -4.628 -20.130 -9.619
403 HZ1 LYS 52 HZ1 LYS 52 -3.060 -17.667 -10.087
404 HZ2 LYS 52 HZ2 LYS 52 -4.692 -17.904 -10.467
405 HZ3 LYS 52 HZ3 LYS 52 -3.499 -18.798 -11.260
406 H VAL 53 HN VAL 53 -0.414 -21.194 -7.805
407 HA VAL 53 HA VAL 53 -2.768 -22.596 -8.601
408 HB VAL 53 HB VAL 53 -1.214 -23.940 -10.038
409 HG11 VAL 53 HG11 VAL 53 -0.829 -20.933 -10.232
410 HG12 VAL 53 HG12 VAL 53 -2.178 -21.856 -10.904
411 HG13 VAL 53 HG13 VAL 53 -0.546 -22.094 -11.528
412 HG21 VAL 53 HG21 VAL 53 1.167 -23.338 -10.206
413 HG22 VAL 53 HG22 VAL 53 0.797 -23.955 -8.594
414 HG23 VAL 53 HG23 VAL 53 0.999 -22.219 -8.854
415 H THR 54 HN THR 54 -0.008 -23.424 -6.522
416 HA THR 54 HA THR 54 -0.984 -26.159 -6.093
417 HB THR 54 HB THR 54 1.138 -26.363 -4.687
418 HG1 THR 54 HG1 THR 54 1.228 -23.951 -4.419
419 HG21 THR 54 HG21 THR 54 1.511 -25.470 -7.568
420 HG22 THR 54 HG22 THR 54 1.131 -27.110 -7.044
421 HG23 THR 54 HG23 THR 54 2.687 -26.389 -6.624
422 H HIS 55 HN HIS 55 -2.055 -23.409 -4.973
423 HA HIS 55 HA HIS 55 -2.127 -23.009 -2.392
424 HB2 HIS 55 HB2 HIS 55 -3.821 -22.341 -4.459
425 HB3 HIS 55 HB1 HIS 55 -4.923 -23.219 -3.417
426 HD1 HIS 55 HD1 HIS 55 -5.595 -22.040 -1.203
427 HD2 HIS 55 HD2 HIS 55 -2.745 -20.000 -3.423
428 HE1 HIS 55 HE1 HIS 55 -5.381 -19.750 -0.155
Start of MODEL 2
1 H1 MET 1 HT1 MET 1 -8.649 25.316 0.524
2 H2 MET 1 HT2 MET 1 -8.598 26.432 1.792
3 H3 MET 1 HT3 MET 1 -9.045 24.830 2.094
4 HA MET 1 HA MET 1 -6.397 25.716 1.147
5 HB2 MET 1 HB2 MET 1 -6.717 26.414 3.469
6 HB3 MET 1 HB1 MET 1 -7.345 24.837 3.913
7 HG2 MET 1 HG2 MET 1 -5.140 23.828 3.563
8 HG3 MET 1 HG1 MET 1 -4.493 25.385 3.045
9 HE1 MET 1 HE1 MET 1 -3.975 27.411 4.696
10 HE2 MET 1 HE2 MET 1 -4.549 27.456 6.365
11 HE3 MET 1 HE3 MET 1 -5.704 27.472 5.034
12 H GLY 2 HN GLY 2 -5.344 24.155 0.129
13 HA2 GLY 2 HA2 GLY 2 -6.156 21.311 0.399
14 HA3 GLY 2 HA1 GLY 2 -5.385 22.035 -1.007
15 H SER 3 HN SER 3 -4.867 20.798 2.228
16 HA SER 3 HA SER 3 -2.097 20.223 1.775
17 HB2 SER 3 HB2 SER 3 -2.852 22.258 3.941
18 HB3 SER 3 HB1 SER 3 -1.270 21.492 3.791
19 HG SER 3 HG SER 3 -1.615 22.488 1.479
20 H HIS 4 HN HIS 4 -2.306 18.024 2.512
21 HA HIS 4 HA HIS 4 -4.170 17.471 4.713
22 HB2 HIS 4 HB2 HIS 4 -4.227 16.337 2.338
23 HB3 HIS 4 HB1 HIS 4 -2.802 15.463 2.866
24 HD1 HIS 4 HD1 HIS 4 -6.477 15.643 3.268
25 HD2 HIS 4 HD2 HIS 4 -3.312 13.479 4.862
26 HE1 HIS 4 HE1 HIS 4 -7.528 13.742 4.528
27 HE2 HIS 4 HE2 HIS 4 -5.601 12.566 5.631
28 H LYS 5 HN LYS 5 -3.359 15.852 6.325
29 HA LYS 5 HA LYS 5 -0.468 16.118 6.882
30 HB2 LYS 5 HB2 LYS 5 -1.908 16.920 8.711
31 HB3 LYS 5 HB1 LYS 5 -2.781 15.391 8.734
32 HG2 LYS 5 HG2 LYS 5 -0.693 14.223 9.457
33 HG3 LYS 5 HG1 LYS 5 0.150 15.772 9.468
34 HD2 LYS 5 HD2 LYS 5 -2.251 15.090 11.213
35 HD3 LYS 5 HD1 LYS 5 -0.570 15.002 11.744
36 HE2 LYS 5 HE2 LYS 5 -0.328 17.430 11.352
37 HE3 LYS 5 HE1 LYS 5 -2.014 17.514 10.833
38 HZ1 LYS 5 HZ1 LYS 5 -1.798 18.197 13.109
39 HZ2 LYS 5 HZ2 LYS 5 -1.038 16.749 13.529
40 HZ3 LYS 5 HZ3 LYS 5 -2.657 16.742 13.050
41 H CYS 6 HN CYS 6 0.805 14.359 6.532
42 HA CYS 6 HA CYS 6 -0.224 11.695 6.131
43 HB2 CYS 6 HB2 CYS 6 1.868 12.359 5.068
44 HB3 CYS 6 HB1 CYS 6 2.596 12.722 6.623
45 H ASN 7 HN ASN 7 -0.857 10.341 7.748
46 HA ASN 7 HA ASN 7 -0.778 11.235 10.459
47 HB2 ASN 7 HB2 ASN 7 -2.700 10.003 9.444
48 HB3 ASN 7 HB1 ASN 7 -1.713 8.552 9.360
49 HD21 ASN 7 HD21 ASN 7 -1.268 7.409 11.284
50 HD22 ASN 7 HD22 ASN 7 -2.117 7.716 12.756
51 H VAL 8 HN VAL 8 1.127 8.900 8.602
52 HA VAL 8 HA VAL 8 2.410 7.515 10.720
53 HB VAL 8 HB VAL 8 3.662 8.138 7.997
54 HG11 VAL 8 HG11 VAL 8 4.919 6.029 8.336
55 HG12 VAL 8 HG12 VAL 8 4.158 5.834 9.919
56 HG13 VAL 8 HG13 VAL 8 5.239 7.196 9.623
57 HG21 VAL 8 HG21 VAL 8 1.825 5.808 8.685
58 HG22 VAL 8 HG22 VAL 8 2.660 6.058 7.149
59 HG23 VAL 8 HG23 VAL 8 1.410 7.189 7.666
60 H CYS 9 HN CYS 9 3.296 10.451 8.940
61 HA CYS 9 HA CYS 9 5.885 10.706 10.300
62 HB2 CYS 9 HB2 CYS 9 4.580 12.311 8.079
63 HB3 CYS 9 HB1 CYS 9 6.177 12.643 8.729
64 H SER 10 HN SER 10 2.737 12.132 10.311
65 HA SER 10 HA SER 10 1.597 13.515 11.632
66 HB2 SER 10 HB2 SER 10 4.112 13.762 13.355
67 HB3 SER 10 HB1 SER 10 2.480 14.263 13.812
68 HG SER 10 HG SER 10 1.846 12.159 13.894
69 H ARG 11 HN ARG 11 3.517 14.314 9.405
70 HA ARG 11 HA ARG 11 3.623 17.243 9.854
71 HB2 ARG 11 HB2 ARG 11 5.115 15.572 7.789
72 HB3 ARG 11 HB1 ARG 11 5.294 17.309 8.036
73 HG2 ARG 11 HG2 ARG 11 6.235 16.846 10.301
74 HG3 ARG 11 HG1 ARG 11 6.102 15.113 9.980
75 HD2 ARG 11 HD2 ARG 11 7.611 15.385 8.018
76 HD3 ARG 11 HD1 ARG 11 7.784 17.103 8.411
77 HE ARG 11 HE ARG 11 8.489 15.397 10.608
78 HH11 ARG 11 HH11 ARG 11 9.726 16.875 7.670
79 HH12 ARG 11 HH12 ARG 11 11.384 16.583 8.086
80 HH21 ARG 11 HH21 ARG 11 10.668 15.026 11.124
81 HH22 ARG 11 HH22 ARG 11 11.914 15.554 10.040
82 H THR 12 HN THR 12 3.535 18.331 7.492
83 HA THR 12 HA THR 12 1.177 17.295 6.032
84 HB THR 12 HB THR 12 0.383 19.058 7.629
85 HG1 THR 12 HG1 THR 12 -0.938 19.226 5.961
86 HG21 THR 12 HG21 THR 12 2.218 20.926 6.079
87 HG22 THR 12 HG22 THR 12 2.442 20.445 7.762
88 HG23 THR 12 HG23 THR 12 1.048 21.426 7.304
89 H PHE 13 HN PHE 13 1.095 17.904 3.836
90 HA PHE 13 HA PHE 13 3.490 19.220 2.681
91 HB2 PHE 13 HB2 PHE 13 2.787 16.788 1.925
92 HB3 PHE 13 HB1 PHE 13 1.494 17.585 1.054
93 HD1 PHE 13 HD1 PHE 13 2.099 19.253 -0.798
94 HD2 PHE 13 HD2 PHE 13 5.035 16.762 1.061
95 HE1 PHE 13 HE1 PHE 13 3.626 19.624 -2.692
96 HE2 PHE 13 HE2 PHE 13 6.548 17.138 -0.840
97 HZ PHE 13 HZ PHE 13 5.842 18.562 -2.723
98 H PHE 14 HN PHE 14 3.151 20.983 1.334
99 HA PHE 14 HA PHE 14 0.991 22.652 1.966
100 HB2 PHE 14 HB2 PHE 14 3.062 23.005 -0.236
101 HB3 PHE 14 HB1 PHE 14 2.064 24.282 0.462
102 HD1 PHE 14 HD2 PHE 14 2.489 25.078 2.798
103 HD2 PHE 14 HD1 PHE 14 5.002 22.128 0.981
104 HE1 PHE 14 HE2 PHE 14 4.189 25.435 4.544
105 HE2 PHE 14 HE1 PHE 14 6.681 22.478 2.744
106 HZ PHE 14 HZ PHE 14 6.278 24.134 4.523
107 H SER 15 HN SER 15 1.051 20.217 -0.430
108 HA SER 15 HA SER 15 -1.524 21.208 -1.467
109 HB2 SER 15 HB2 SER 15 -1.000 20.042 -3.617
110 HB3 SER 15 HB1 SER 15 0.165 21.323 -3.275
111 HG SER 15 HG SER 15 1.132 19.335 -3.965
112 H GLU 16 HN GLU 16 -3.200 19.697 -1.525
113 HA GLU 16 HA GLU 16 -3.249 17.325 -0.063
114 HB2 GLU 16 HB2 GLU 16 -4.895 18.154 -2.489
115 HB3 GLU 16 HB1 GLU 16 -5.205 16.662 -1.612
116 HG2 GLU 16 HG2 GLU 16 -5.376 19.446 -0.443
117 HG3 GLU 16 HG1 GLU 16 -6.744 18.492 -1.008
118 H ASN 17 HN ASN 17 -2.733 17.773 -3.569
119 HA ASN 17 HA ASN 17 -2.568 15.061 -4.279
120 HB2 ASN 17 HB2 ASN 17 -3.048 16.934 -5.855
121 HB3 ASN 17 HB1 ASN 17 -1.382 17.479 -5.711
122 HD21 ASN 17 HD21 ASN 17 0.224 16.387 -6.848
123 HD22 ASN 17 HD22 ASN 17 -0.115 15.168 -8.019
124 H GLY 18 HN GLY 18 -0.155 17.271 -3.035
125 HA2 GLY 18 HA2 GLY 18 2.183 15.756 -3.764
126 HA3 GLY 18 HA1 GLY 18 2.109 17.113 -2.655
127 H LEU 19 HN LEU 19 0.355 16.238 -0.710
128 HA LEU 19 HA LEU 19 1.828 14.467 0.892
129 HB2 LEU 19 HB2 LEU 19 0.065 16.237 1.557
130 HB3 LEU 19 HB1 LEU 19 -1.148 15.034 1.190
131 HG LEU 19 HG LEU 19 -0.585 15.302 3.637
132 HD11 LEU 19 HD11 LEU 19 -0.623 12.951 4.240
133 HD12 LEU 19 HD12 LEU 19 -0.136 12.495 2.607
134 HD13 LEU 19 HD13 LEU 19 -1.702 13.261 2.882
135 HD21 LEU 19 HD21 LEU 19 1.464 14.356 4.548
136 HD22 LEU 19 HD22 LEU 19 1.829 15.662 3.421
137 HD23 LEU 19 HD23 LEU 19 2.041 13.982 2.921
138 H ARG 20 HN ARG 20 -1.212 13.944 -0.868
139 HA ARG 20 HA ARG 20 -1.637 11.252 -0.431
140 HB2 ARG 20 HB2 ARG 20 -2.299 12.839 -2.919
141 HB3 ARG 20 HB1 ARG 20 -2.976 11.258 -2.510
142 HG2 ARG 20 HG2 ARG 20 -3.930 12.247 -0.413
143 HG3 ARG 20 HG1 ARG 20 -3.317 13.825 -0.912
144 HD2 ARG 20 HD2 ARG 20 -4.683 13.512 -3.048
145 HD3 ARG 20 HD1 ARG 20 -5.449 12.152 -2.226
146 HE ARG 20 HE ARG 20 -5.606 14.430 -0.569
147 HH11 ARG 20 HH11 ARG 20 -7.071 13.202 -3.528
148 HH12 ARG 20 HH12 ARG 20 -8.469 14.221 -3.388
149 HH21 ARG 20 HH21 ARG 20 -7.439 15.753 -0.416
150 HH22 ARG 20 HH22 ARG 20 -8.676 15.660 -1.637
151 H GLU 21 HN GLU 21 0.476 12.760 -2.805
152 HA GLU 21 HA GLU 21 1.344 10.433 -4.193
153 HB2 GLU 21 HB2 GLU 21 1.558 12.768 -5.057
154 HB3 GLU 21 HB1 GLU 21 2.749 13.110 -3.814
155 HG2 GLU 21 HG2 GLU 21 3.850 12.765 -5.939
156 HG3 GLU 21 HG1 GLU 21 4.284 11.463 -4.830
157 H HIS 22 HN HIS 22 2.551 12.212 -1.389
158 HA HIS 22 HA HIS 22 4.957 10.795 -0.934
159 HB2 HIS 22 HB2 HIS 22 4.849 12.967 0.003
160 HB3 HIS 22 HB1 HIS 22 3.243 12.715 0.668
161 HD1 HIS 22 HD1 HIS 22 6.876 11.899 1.394
162 HD2 HIS 22 HD2 HIS 22 3.148 11.745 3.215
163 HE1 HIS 22 HE1 HIS 22 7.279 11.266 3.806
164 H LEU 23 HN LEU 23 1.683 10.404 0.347
165 HA LEU 23 HA LEU 23 2.083 8.610 2.410
166 HB2 LEU 23 HB2 LEU 23 0.069 10.076 1.685
167 HB3 LEU 23 HB1 LEU 23 -0.384 8.740 0.652
168 HG LEU 23 HG LEU 23 -0.125 8.497 3.678
169 HD11 LEU 23 HD11 LEU 23 -2.648 9.018 2.070
170 HD12 LEU 23 HD12 LEU 23 -1.834 10.176 3.122
171 HD13 LEU 23 HD13 LEU 23 -2.558 8.726 3.813
172 HD21 LEU 23 HD21 LEU 23 -0.033 6.333 2.530
173 HD22 LEU 23 HD22 LEU 23 -1.527 6.701 1.667
174 HD23 LEU 23 HD23 LEU 23 -1.543 6.493 3.423
175 H GLN 24 HN GLN 24 1.803 8.102 -1.036
176 HA GLN 24 HA GLN 24 1.262 5.369 -1.210
177 HB2 GLN 24 HB2 GLN 24 2.785 7.184 -3.126
178 HB3 GLN 24 HB1 GLN 24 2.199 5.573 -3.531
179 HG2 GLN 24 HG2 GLN 24 -0.100 6.254 -3.244
180 HG3 GLN 24 HG1 GLN 24 0.391 7.825 -2.625
181 HE21 GLN 24 HE21 GLN 24 2.462 8.246 -4.641
182 HE22 GLN 24 HE22 GLN 24 1.631 8.584 -6.113
183 H THR 25 HN THR 25 4.186 6.847 -0.165
184 HA THR 25 HA THR 25 6.017 4.736 -0.969
185 HB THR 25 HB THR 25 7.714 5.993 0.290
186 HG1 THR 25 HG1 THR 25 6.346 8.191 0.979
187 HG21 THR 25 HG21 THR 25 7.660 8.130 -0.950
188 HG22 THR 25 HG22 THR 25 5.961 7.854 -1.346
189 HG23 THR 25 HG23 THR 25 7.205 6.778 -1.991
190 H HIS 26 HN HIS 26 4.017 5.557 1.760
191 HA HIS 26 HA HIS 26 5.174 3.639 3.618
192 HB2 HIS 26 HB2 HIS 26 2.548 5.187 3.786
193 HB3 HIS 26 HB1 HIS 26 3.253 4.226 5.091
194 HD1 HIS 26 HD1 HIS 26 5.619 5.162 6.033
195 HD2 HIS 26 HD2 HIS 26 3.398 7.774 3.682
196 HE1 HIS 26 HE1 HIS 26 6.512 7.481 6.495
197 H ARG 27 HN ARG 27 3.169 3.479 0.937
198 HA ARG 27 HA ARG 27 1.786 1.001 1.749
199 HB2 ARG 27 HB2 ARG 27 1.502 2.715 -0.769
200 HB3 ARG 27 HB1 ARG 27 0.541 1.286 -0.390
201 HG2 ARG 27 HG2 ARG 27 0.508 3.960 1.056
202 HG3 ARG 27 HG1 ARG 27 -0.787 3.245 0.089
203 HD2 ARG 27 HD2 ARG 27 0.257 2.242 2.769
204 HD3 ARG 27 HD1 ARG 27 -1.307 3.009 2.468
205 HE ARG 27 HE ARG 27 -1.165 0.746 0.834
206 HH11 ARG 27 HH11 ARG 27 -1.256 1.415 4.275
207 HH12 ARG 27 HH12 ARG 27 -1.974 -0.109 4.673
208 HH21 ARG 27 HH21 ARG 27 -2.069 -1.276 1.385
209 HH22 ARG 27 HH22 ARG 27 -2.416 -1.633 3.049
210 H GLY 28 HN GLY 28 4.761 1.661 0.942
211 HA2 GLY 28 HA2 GLY 28 6.487 0.423 0.075
212 HA3 GLY 28 HA1 GLY 28 5.332 -0.795 -0.455
213 HA PRO 29 HA PRO 29 6.616 1.358 -4.379
214 HB2 PRO 29 HB2 PRO 29 7.116 -0.954 -5.797
215 HB3 PRO 29 HB1 PRO 29 8.352 -0.122 -4.845
216 HG2 PRO 29 HG2 PRO 29 6.711 -2.539 -4.130
217 HG3 PRO 29 HG1 PRO 29 8.436 -2.226 -3.843
218 HD2 PRO 29 HD2 PRO 29 6.528 -1.927 -1.898
219 HD3 PRO 29 HD1 PRO 29 8.018 -0.960 -1.936
220 H ALA 30 HN ALA 30 4.930 1.869 -5.714
221 HA ALA 30 HA ALA 30 2.412 0.421 -5.426
222 HB1 ALA 30 HB1 ALA 30 2.988 3.044 -6.843
223 HB2 ALA 30 HB2 ALA 30 2.436 2.868 -5.177
224 HB3 ALA 30 HB3 ALA 30 1.392 2.368 -6.508
225 H LYS 31 HN LYS 31 3.805 -1.315 -6.617
226 HA LYS 31 HA LYS 31 2.704 -1.680 -9.228
227 HB2 LYS 31 HB2 LYS 31 4.731 -1.861 -10.520
228 HB3 LYS 31 HB1 LYS 31 4.770 -0.293 -9.724
229 HG2 LYS 31 HG2 LYS 31 6.375 -1.157 -8.056
230 HG3 LYS 31 HG1 LYS 31 6.299 -2.758 -8.804
231 HD2 LYS 31 HD2 LYS 31 7.145 -1.696 -10.953
232 HD3 LYS 31 HD1 LYS 31 7.412 -0.206 -10.042
233 HE2 LYS 31 HE2 LYS 31 8.731 -2.893 -9.506
234 HE3 LYS 31 HE1 LYS 31 9.493 -1.494 -10.262
235 HZ1 LYS 31 HZ1 LYS 31 8.478 -1.623 -7.477
236 HZ2 LYS 31 HZ2 LYS 31 9.201 -0.274 -8.199
237 HZ3 LYS 31 HZ3 LYS 31 10.095 -1.683 -7.953
238 H HIS 32 HN HIS 32 3.438 -3.842 -10.110
239 HA HIS 32 HA HIS 32 4.483 -5.761 -8.161
240 HB2 HIS 32 HB2 HIS 32 1.751 -6.027 -9.523
241 HB3 HIS 32 HB1 HIS 32 2.595 -7.388 -8.794
242 HD1 HIS 32 HD1 HIS 32 0.318 -4.626 -7.980
243 HD2 HIS 32 HD2 HIS 32 2.907 -7.124 -5.898
244 HE1 HIS 32 HE1 HIS 32 -0.328 -4.413 -5.572
245 HE2 HIS 32 HE2 HIS 32 1.304 -5.855 -4.324
246 H TYR 33 HN TYR 33 5.792 -4.593 -10.264
247 HA TYR 33 HA TYR 33 6.334 -6.913 -11.927
248 HB2 TYR 33 HB2 TYR 33 6.627 -5.348 -13.985
249 HB3 TYR 33 HB1 TYR 33 5.011 -5.895 -13.571
250 HD1 TYR 33 HD1 TYR 33 7.300 -2.908 -13.328
251 HD2 TYR 33 HD2 TYR 33 3.265 -4.305 -13.168
252 HE1 TYR 33 HE1 TYR 33 6.495 -0.593 -13.345
253 HE2 TYR 33 HE2 TYR 33 2.467 -1.979 -13.188
254 HH TYR 33 HH TYR 33 4.470 0.648 -13.963
255 H MET 34 HN MET 34 7.987 -7.107 -10.567
256 HA MET 34 HA MET 34 10.336 -5.368 -10.958
257 HB2 MET 34 HB2 MET 34 9.436 -4.959 -8.688
258 HB3 MET 34 HB1 MET 34 9.395 -6.684 -8.363
259 HG2 MET 34 HG2 MET 34 11.893 -6.732 -8.559
260 HG3 MET 34 HG1 MET 34 11.868 -4.976 -8.735
261 HE1 MET 34 HE1 MET 34 10.579 -7.225 -4.894
262 HE2 MET 34 HE2 MET 34 11.183 -8.025 -6.350
263 HE3 MET 34 HE3 MET 34 9.599 -7.250 -6.357
264 H CYS 35 HN CYS 35 11.935 -6.586 -11.874
265 HA CYS 35 HA CYS 35 11.568 -9.410 -12.233
266 HB2 CYS 35 HB2 CYS 35 12.604 -7.944 -13.954
267 HB3 CYS 35 HB1 CYS 35 13.955 -7.671 -12.896
268 HA PRO 36 HA PRO 36 13.503 -10.505 -8.268
269 HB2 PRO 36 HB2 PRO 36 13.846 -13.173 -9.631
270 HB3 PRO 36 HB1 PRO 36 13.143 -12.797 -8.048
271 HG2 PRO 36 HG2 PRO 36 11.551 -13.398 -10.098
272 HG3 PRO 36 HG1 PRO 36 11.107 -12.084 -8.983
273 HD2 PRO 36 HD2 PRO 36 12.319 -11.906 -11.745
274 HD3 PRO 36 HD1 PRO 36 11.011 -10.934 -11.024
275 H ILE 37 HN ILE 37 15.132 -11.470 -11.343
276 HA ILE 37 HA ILE 37 17.716 -11.689 -10.092
277 HB ILE 37 HB ILE 37 16.842 -11.695 -13.015
278 HG12 ILE 37 HG12 ILE 37 17.575 -14.029 -11.178
279 HG13 ILE 37 HG11 ILE 37 15.937 -13.593 -11.656
280 HG21 ILE 37 HG21 ILE 37 19.198 -11.047 -12.886
281 HG22 ILE 37 HG22 ILE 37 19.057 -12.678 -13.539
282 HG23 ILE 37 HG23 ILE 37 19.554 -12.435 -11.864
283 HD11 ILE 37 HD11 ILE 37 18.134 -14.554 -13.490
284 HD12 ILE 37 HD12 ILE 37 16.496 -14.119 -13.990
285 HD13 ILE 37 HD13 ILE 37 16.757 -15.493 -12.917
286 H CYS 38 HN CYS 38 16.401 -9.410 -12.601
287 HA CYS 38 HA CYS 38 18.689 -7.622 -12.035
288 HB2 CYS 38 HB2 CYS 38 18.924 -7.224 -14.338
289 HB3 CYS 38 HB1 CYS 38 18.669 -8.944 -14.204
290 H GLY 39 HN GLY 39 15.352 -7.621 -11.712
291 HA2 GLY 39 HA2 GLY 39 13.944 -6.063 -10.950
292 HA3 GLY 39 HA1 GLY 39 15.355 -5.071 -10.608
293 H GLU 40 HN GLU 40 14.749 -5.909 -13.922
294 HA GLU 40 HA GLU 40 14.167 -3.325 -14.789
295 HB2 GLU 40 HB2 GLU 40 13.713 -6.014 -16.116
296 HB3 GLU 40 HB1 GLU 40 13.412 -4.487 -16.934
297 HG2 GLU 40 HG2 GLU 40 15.831 -3.857 -16.468
298 HG3 GLU 40 HG1 GLU 40 16.070 -5.511 -15.896
299 H ARG 41 HN ARG 41 12.380 -2.169 -15.088
300 HA ARG 41 HA ARG 41 9.792 -3.102 -14.040
301 HB2 ARG 41 HB2 ARG 41 10.829 -0.338 -14.829
302 HB3 ARG 41 HB1 ARG 41 9.215 -0.646 -14.191
303 HG2 ARG 41 HG2 ARG 41 10.098 -1.301 -12.048
304 HG3 ARG 41 HG1 ARG 41 11.752 -1.304 -12.665
305 HD2 ARG 41 HD2 ARG 41 11.262 0.698 -11.287
306 HD3 ARG 41 HD1 ARG 41 11.700 1.116 -12.943
307 HE ARG 41 HE ARG 41 9.053 1.124 -13.147
308 HH11 ARG 41 HH11 ARG 41 11.024 2.514 -10.591
309 HH12 ARG 41 HH12 ARG 41 9.933 3.834 -10.312
310 HH21 ARG 41 HH21 ARG 41 7.656 2.868 -12.783
311 HH22 ARG 41 HH22 ARG 41 8.028 4.033 -11.555
312 H PHE 42 HN PHE 42 7.988 -3.295 -15.313
313 HA PHE 42 HA PHE 42 8.228 -2.795 -18.235
314 HB2 PHE 42 HB2 PHE 42 7.103 -5.209 -16.742
315 HB3 PHE 42 HB1 PHE 42 6.816 -4.925 -18.459
316 HD1 PHE 42 HD1 PHE 42 9.338 -5.839 -15.944
317 HD2 PHE 42 HD2 PHE 42 8.637 -5.099 -20.088
318 HE1 PHE 42 HE1 PHE 42 11.521 -6.822 -16.494
319 HE2 PHE 42 HE2 PHE 42 10.815 -6.087 -20.626
320 HZ PHE 42 HZ PHE 42 12.257 -6.947 -18.833
321 HA PRO 43 HA PRO 43 4.404 -0.529 -18.117
322 HB2 PRO 43 HB2 PRO 43 3.067 -1.363 -20.394
323 HB3 PRO 43 HB1 PRO 43 4.462 -0.275 -20.430
324 HG2 PRO 43 HG2 PRO 43 4.389 -3.272 -20.817
325 HG3 PRO 43 HG1 PRO 43 5.208 -2.043 -21.811
326 HD2 PRO 43 HD2 PRO 43 6.585 -3.467 -20.005
327 HD3 PRO 43 HD1 PRO 43 6.930 -1.734 -20.221
328 H SER 44 HN SER 44 4.333 -3.968 -18.000
329 HA SER 44 HA SER 44 1.822 -3.995 -16.516
330 HB2 SER 44 HB2 SER 44 0.951 -5.905 -17.953
331 HB3 SER 44 HB1 SER 44 0.999 -4.353 -18.776
332 HG SER 44 HG SER 44 2.044 -5.477 -20.226
333 H LEU 45 HN LEU 45 1.379 -6.202 -15.658
334 HA LEU 45 HA LEU 45 3.809 -7.787 -15.098
335 HB2 LEU 45 HB2 LEU 45 2.365 -7.171 -13.173
336 HB3 LEU 45 HB1 LEU 45 0.991 -7.963 -13.925
337 HG LEU 45 HG LEU 45 2.043 -10.174 -13.653
338 HD11 LEU 45 HD11 LEU 45 4.179 -10.464 -12.478
339 HD12 LEU 45 HD12 LEU 45 4.406 -8.715 -12.419
340 HD13 LEU 45 HD13 LEU 45 4.393 -9.558 -13.973
341 HD21 LEU 45 HD21 LEU 45 2.008 -10.365 -11.213
342 HD22 LEU 45 HD22 LEU 45 0.707 -9.308 -11.754
343 HD23 LEU 45 HD23 LEU 45 2.167 -8.613 -11.044
344 H LEU 46 HN LEU 46 3.393 -7.890 -17.599
345 HA LEU 46 HA LEU 46 2.308 -10.553 -18.237
346 HB2 LEU 46 HB2 LEU 46 1.865 -8.044 -19.930
347 HB3 LEU 46 HB1 LEU 46 1.468 -9.680 -20.437
348 HG LEU 46 HG LEU 46 0.131 -8.235 -18.100
349 HD11 LEU 46 HD11 LEU 46 -0.920 -8.684 -20.912
350 HD12 LEU 46 HD12 LEU 46 -0.447 -7.133 -20.215
351 HD13 LEU 46 HD13 LEU 46 -1.835 -8.002 -19.564
352 HD21 LEU 46 HD21 LEU 46 -1.513 -10.070 -18.185
353 HD22 LEU 46 HD22 LEU 46 0.103 -10.684 -17.842
354 HD23 LEU 46 HD23 LEU 46 -0.583 -10.862 -19.460
355 H THR 47 HN THR 47 3.920 -7.716 -19.617
356 HA THR 47 HA THR 47 5.933 -8.964 -21.114
357 HB THR 47 HB THR 47 7.165 -6.619 -20.571
358 HG1 THR 47 HG1 THR 47 4.511 -5.824 -20.036
359 HG21 THR 47 HG21 THR 47 5.854 -5.495 -22.316
360 HG22 THR 47 HG22 THR 47 4.589 -6.715 -22.178
361 HG23 THR 47 HG23 THR 47 6.185 -7.170 -22.775
362 H LEU 48 HN LEU 48 5.879 -8.066 -17.678
363 HA LEU 48 HA LEU 48 8.583 -8.677 -17.079
364 HB2 LEU 48 HB2 LEU 48 7.091 -7.246 -15.686
365 HB3 LEU 48 HB1 LEU 48 6.132 -8.646 -15.266
366 HG LEU 48 HG LEU 48 7.794 -7.708 -13.492
367 HD11 LEU 48 HD11 LEU 48 6.658 -9.834 -13.158
368 HD12 LEU 48 HD12 LEU 48 8.303 -9.893 -12.532
369 HD13 LEU 48 HD13 LEU 48 7.913 -10.675 -14.069
370 HD21 LEU 48 HD21 LEU 48 9.830 -9.208 -15.168
371 HD22 LEU 48 HD22 LEU 48 10.102 -8.519 -13.564
372 HD23 LEU 48 HD23 LEU 48 9.764 -7.460 -14.926
373 H THR 49 HN THR 49 5.649 -10.647 -17.176
374 HA THR 49 HA THR 49 6.660 -12.988 -15.925
375 HB THR 49 HB THR 49 4.415 -12.859 -17.993
376 HG1 THR 49 HG1 THR 49 3.083 -12.585 -16.036
377 HG21 THR 49 HG21 THR 49 3.495 -14.791 -16.752
378 HG22 THR 49 HG22 THR 49 4.874 -14.762 -15.655
379 HG23 THR 49 HG23 THR 49 5.117 -15.155 -17.358
380 H GLU 50 HN GLU 50 6.238 -12.049 -19.293
381 HA GLU 50 HA GLU 50 7.319 -14.269 -20.624
382 HB2 GLU 50 HB2 GLU 50 7.256 -11.337 -21.447
383 HB3 GLU 50 HB1 GLU 50 7.623 -12.671 -22.544
384 HG2 GLU 50 HG2 GLU 50 5.397 -13.589 -22.290
385 HG3 GLU 50 HG1 GLU 50 5.020 -12.441 -21.005
386 H HIS 51 HN HIS 51 8.888 -11.255 -19.588
387 HA HIS 51 HA HIS 51 11.496 -11.766 -20.545
388 HB2 HIS 51 HB2 HIS 51 10.911 -9.509 -20.049
389 HB3 HIS 51 HB1 HIS 51 10.331 -9.916 -18.439
390 HD1 HIS 51 HD1 HIS 51 13.584 -9.453 -20.341
391 HD2 HIS 51 HD2 HIS 51 12.168 -9.717 -16.447
392 HE1 HIS 51 HE1 HIS 51 15.514 -8.835 -18.836
393 H LYS 52 HN LYS 52 9.885 -12.613 -17.531
394 HA LYS 52 HA LYS 52 12.113 -13.127 -15.888
395 HB2 LYS 52 HB2 LYS 52 9.626 -12.784 -15.246
396 HB3 LYS 52 HB1 LYS 52 9.389 -14.485 -15.617
397 HG2 LYS 52 HG2 LYS 52 11.384 -13.502 -13.539
398 HG3 LYS 52 HG1 LYS 52 9.699 -13.831 -13.145
399 HD2 LYS 52 HD2 LYS 52 11.676 -15.883 -14.243
400 HD3 LYS 52 HD1 LYS 52 11.219 -15.724 -12.543
401 HE2 LYS 52 HE2 LYS 52 9.282 -16.384 -14.800
402 HE3 LYS 52 HE1 LYS 52 10.024 -17.574 -13.733
403 HZ1 LYS 52 HZ1 LYS 52 8.317 -15.347 -12.803
404 HZ2 LYS 52 HZ2 LYS 52 8.918 -16.629 -11.876
405 HZ3 LYS 52 HZ3 LYS 52 7.775 -16.920 -13.086
406 H VAL 53 HN VAL 53 10.164 -15.338 -17.935
407 HA VAL 53 HA VAL 53 11.622 -17.676 -17.065
408 HB VAL 53 HB VAL 53 10.151 -18.890 -18.691
409 HG11 VAL 53 HG11 VAL 53 8.689 -17.034 -16.775
410 HG12 VAL 53 HG12 VAL 53 9.410 -18.592 -16.369
411 HG13 VAL 53 HG13 VAL 53 8.027 -18.522 -17.460
412 HG21 VAL 53 HG21 VAL 53 8.922 -16.151 -19.222
413 HG22 VAL 53 HG22 VAL 53 8.282 -17.692 -19.798
414 HG23 VAL 53 HG23 VAL 53 9.839 -17.117 -20.387
415 H THR 54 HN THR 54 11.543 -15.676 -19.997
416 HA THR 54 HA THR 54 13.463 -17.373 -21.422
417 HB THR 54 HB THR 54 13.089 -15.825 -23.337
418 HG1 THR 54 HG1 THR 54 11.005 -14.445 -22.222
419 HG21 THR 54 HG21 THR 54 11.481 -17.702 -23.047
420 HG22 THR 54 HG22 THR 54 10.701 -16.283 -23.747
421 HG23 THR 54 HG23 THR 54 10.465 -16.666 -22.041
422 H HIS 55 HN HIS 55 14.727 -16.372 -19.154
423 HA HIS 55 HA HIS 55 15.373 -13.581 -19.316
424 HB2 HIS 55 HB2 HIS 55 15.062 -15.116 -17.173
425 HB3 HIS 55 HB1 HIS 55 16.770 -15.481 -17.400
426 HD1 HIS 55 HD1 HIS 55 18.444 -13.371 -17.113
427 HD2 HIS 55 HD2 HIS 55 14.464 -12.693 -16.197
428 HE1 HIS 55 HE1 HIS 55 18.350 -11.118 -15.949
Start of MODEL 3
1 H1 MET 1 HT1 MET 1 -4.707 26.617 -0.565
2 H2 MET 1 HT2 MET 1 -4.720 24.985 -0.981
3 H3 MET 1 HT3 MET 1 -3.515 25.994 -1.598
4 HA MET 1 HA MET 1 -2.613 24.657 0.129
5 HB2 MET 1 HB2 MET 1 -1.784 26.990 -0.114
6 HB3 MET 1 HB1 MET 1 -2.989 27.547 1.036
7 HG2 MET 1 HG2 MET 1 -1.917 26.109 2.777
8 HG3 MET 1 HG1 MET 1 -0.654 25.707 1.609
9 HE1 MET 1 HE1 MET 1 1.096 28.191 4.178
10 HE2 MET 1 HE2 MET 1 1.119 26.560 3.514
11 HE3 MET 1 HE3 MET 1 -0.193 27.052 4.583
12 H GLY 2 HN GLY 2 -3.878 23.166 1.094
13 HA2 GLY 2 HA2 GLY 2 -4.843 23.749 3.787
14 HA3 GLY 2 HA1 GLY 2 -6.033 23.082 2.657
15 H SER 3 HN SER 3 -3.157 22.398 4.515
16 HA SER 3 HA SER 3 -2.433 20.067 2.947
17 HB2 SER 3 HB2 SER 3 -1.054 21.361 5.342
18 HB3 SER 3 HB1 SER 3 -0.377 20.124 4.279
19 HG SER 3 HG SER 3 -1.267 22.646 3.351
20 H HIS 4 HN HIS 4 -4.245 18.834 3.597
21 HA HIS 4 HA HIS 4 -4.637 17.334 5.816
22 HB2 HIS 4 HB2 HIS 4 -5.615 16.680 3.651
23 HB3 HIS 4 HB1 HIS 4 -4.043 16.154 3.069
24 HD1 HIS 4 HD1 HIS 4 -3.744 13.676 3.180
25 HD2 HIS 4 HD2 HIS 4 -6.380 15.035 6.095
26 HE1 HIS 4 HE1 HIS 4 -4.517 11.628 4.411
27 HE2 HIS 4 HE2 HIS 4 -6.080 12.481 6.186
28 H LYS 5 HN LYS 5 -3.464 16.046 7.183
29 HA LYS 5 HA LYS 5 -0.566 16.272 6.993
30 HB2 LYS 5 HB2 LYS 5 -1.858 16.968 9.046
31 HB3 LYS 5 HB1 LYS 5 -2.272 15.279 9.320
32 HG2 LYS 5 HG2 LYS 5 0.281 14.846 9.440
33 HG3 LYS 5 HG1 LYS 5 0.465 16.600 9.494
34 HD2 LYS 5 HD2 LYS 5 0.501 15.753 11.784
35 HD3 LYS 5 HD1 LYS 5 -0.998 16.656 11.544
36 HE2 LYS 5 HE2 LYS 5 -2.189 14.498 11.169
37 HE3 LYS 5 HE1 LYS 5 -0.684 13.636 11.506
38 HZ1 LYS 5 HZ1 LYS 5 -2.090 13.692 13.442
39 HZ2 LYS 5 HZ2 LYS 5 -2.170 15.381 13.393
40 HZ3 LYS 5 HZ3 LYS 5 -0.706 14.615 13.728
41 H CYS 6 HN CYS 6 0.862 14.539 7.344
42 HA CYS 6 HA CYS 6 -0.080 11.823 6.735
43 HB2 CYS 6 HB2 CYS 6 1.903 12.743 5.489
44 HB3 CYS 6 HB1 CYS 6 2.758 12.926 7.005
45 H ASN 7 HN ASN 7 -0.812 10.850 8.631
46 HA ASN 7 HA ASN 7 -0.154 11.403 11.263
47 HB2 ASN 7 HB2 ASN 7 -2.091 10.021 10.596
48 HB3 ASN 7 HB1 ASN 7 -1.017 8.735 10.063
49 HD21 ASN 7 HD21 ASN 7 -2.393 10.331 12.862
50 HD22 ASN 7 HD22 ASN 7 -1.923 9.130 14.011
51 H VAL 8 HN VAL 8 1.376 8.958 9.155
52 HA VAL 8 HA VAL 8 2.985 7.660 11.035
53 HB VAL 8 HB VAL 8 3.574 8.050 8.063
54 HG11 VAL 8 HG11 VAL 8 4.591 5.910 9.974
55 HG12 VAL 8 HG12 VAL 8 5.556 7.187 9.228
56 HG13 VAL 8 HG13 VAL 8 4.841 5.922 8.225
57 HG21 VAL 8 HG21 VAL 8 1.340 7.119 8.435
58 HG22 VAL 8 HG22 VAL 8 2.016 5.832 9.440
59 HG23 VAL 8 HG23 VAL 8 2.413 5.919 7.717
60 H CYS 9 HN CYS 9 4.081 10.105 8.664
61 HA CYS 9 HA CYS 9 6.639 10.570 9.802
62 HB2 CYS 9 HB2 CYS 9 4.926 12.335 8.019
63 HB3 CYS 9 HB1 CYS 9 6.596 12.694 8.427
64 H SER 10 HN SER 10 3.536 11.925 10.431
65 HA SER 10 HA SER 10 2.581 13.348 11.883
66 HB2 SER 10 HB2 SER 10 3.661 14.283 13.796
67 HB3 SER 10 HB1 SER 10 4.441 12.723 13.558
68 HG SER 10 HG SER 10 6.266 13.703 13.056
69 H ARG 11 HN ARG 11 4.847 14.077 9.584
70 HA ARG 11 HA ARG 11 4.534 16.976 9.562
71 HB2 ARG 11 HB2 ARG 11 6.124 15.165 7.693
72 HB3 ARG 11 HB1 ARG 11 6.245 16.918 7.785
73 HG2 ARG 11 HG2 ARG 11 7.039 14.956 9.974
74 HG3 ARG 11 HG1 ARG 11 8.144 15.846 8.921
75 HD2 ARG 11 HD2 ARG 11 7.532 17.953 9.919
76 HD3 ARG 11 HD1 ARG 11 6.182 17.222 10.796
77 HE ARG 11 HE ARG 11 8.738 16.078 11.483
78 HH11 ARG 11 HH11 ARG 11 6.556 18.741 12.205
79 HH12 ARG 11 HH12 ARG 11 7.174 18.967 13.813
80 HH21 ARG 11 HH21 ARG 11 9.510 16.389 13.618
81 HH22 ARG 11 HH22 ARG 11 8.827 17.643 14.603
82 H THR 12 HN THR 12 4.446 17.658 6.964
83 HA THR 12 HA THR 12 2.267 16.298 5.584
84 HB THR 12 HB THR 12 1.043 17.694 7.224
85 HG1 THR 12 HG1 THR 12 -0.406 18.192 5.742
86 HG21 THR 12 HG21 THR 12 1.056 20.167 7.072
87 HG22 THR 12 HG22 THR 12 2.355 20.089 5.883
88 HG23 THR 12 HG23 THR 12 2.643 19.550 7.539
89 H PHE 13 HN PHE 13 1.780 17.272 3.483
90 HA PHE 13 HA PHE 13 4.202 18.342 2.192
91 HB2 PHE 13 HB2 PHE 13 2.727 16.248 1.405
92 HB3 PHE 13 HB1 PHE 13 1.695 17.471 0.697
93 HD1 PHE 13 HD1 PHE 13 2.735 19.069 -1.042
94 HD2 PHE 13 HD2 PHE 13 4.707 15.526 0.286
95 HE1 PHE 13 HE1 PHE 13 4.136 19.102 -3.057
96 HE2 PHE 13 HE2 PHE 13 6.110 15.565 -1.726
97 HZ PHE 13 HZ PHE 13 5.834 17.349 -3.407
98 H PHE 14 HN PHE 14 4.041 20.219 0.778
99 HA PHE 14 HA PHE 14 2.463 22.351 1.853
100 HB2 PHE 14 HB2 PHE 14 4.143 22.310 -0.695
101 HB3 PHE 14 HB1 PHE 14 3.587 23.749 0.155
102 HD1 PHE 14 HD2 PHE 14 4.536 24.310 2.426
103 HD2 PHE 14 HD1 PHE 14 6.104 21.104 0.068
104 HE1 PHE 14 HE2 PHE 14 6.577 24.287 3.794
105 HE2 PHE 14 HE1 PHE 14 8.133 21.085 1.454
106 HZ PHE 14 HZ PHE 14 8.371 22.679 3.314
107 H SER 15 HN SER 15 2.133 20.263 -0.876
108 HA SER 15 HA SER 15 -0.350 21.516 -1.816
109 HB2 SER 15 HB2 SER 15 1.203 20.940 -3.609
110 HB3 SER 15 HB1 SER 15 1.379 19.300 -2.991
111 HG SER 15 HG SER 15 -0.927 20.476 -4.156
112 H GLU 16 HN GLU 16 -2.246 20.263 -1.945
113 HA GLU 16 HA GLU 16 -2.685 18.400 0.230
114 HB2 GLU 16 HB2 GLU 16 -5.040 18.481 -0.359
115 HB3 GLU 16 HB1 GLU 16 -4.406 20.116 -0.318
116 HG2 GLU 16 HG2 GLU 16 -4.903 18.523 -2.855
117 HG3 GLU 16 HG1 GLU 16 -6.041 19.665 -2.160
118 H ASN 17 HN ASN 17 -2.388 18.351 -3.265
119 HA ASN 17 HA ASN 17 -3.202 15.592 -3.657
120 HB2 ASN 17 HB2 ASN 17 -1.719 17.480 -5.537
121 HB3 ASN 17 HB1 ASN 17 -2.453 15.943 -5.990
122 HD21 ASN 17 HD21 ASN 17 -2.966 18.645 -6.993
123 HD22 ASN 17 HD22 ASN 17 -4.642 18.954 -6.724
124 H GLY 18 HN GLY 18 -0.216 17.451 -3.620
125 HA2 GLY 18 HA2 GLY 18 1.752 15.596 -4.030
126 HA3 GLY 18 HA1 GLY 18 1.922 16.936 -2.913
127 H LEU 19 HN LEU 19 0.029 16.099 -0.961
128 HA LEU 19 HA LEU 19 1.491 14.221 0.587
129 HB2 LEU 19 HB2 LEU 19 -0.071 16.140 1.342
130 HB3 LEU 19 HB1 LEU 19 -1.391 15.048 1.087
131 HG LEU 19 HG LEU 19 -0.636 15.295 3.495
132 HD11 LEU 19 HD11 LEU 19 -0.533 12.451 2.489
133 HD12 LEU 19 HD12 LEU 19 -1.989 13.366 2.888
134 HD13 LEU 19 HD13 LEU 19 -0.829 12.966 4.156
135 HD21 LEU 19 HD21 LEU 19 1.811 13.751 2.610
136 HD22 LEU 19 HD22 LEU 19 1.367 14.130 4.277
137 HD23 LEU 19 HD23 LEU 19 1.769 15.429 3.159
138 H ARG 20 HN ARG 20 -1.432 13.973 -1.378
139 HA ARG 20 HA ARG 20 -2.210 11.324 -0.770
140 HB2 ARG 20 HB2 ARG 20 -2.642 12.920 -3.315
141 HB3 ARG 20 HB1 ARG 20 -3.373 11.344 -3.005
142 HG2 ARG 20 HG2 ARG 20 -4.319 12.402 -0.847
143 HG3 ARG 20 HG1 ARG 20 -3.866 13.952 -1.555
144 HD2 ARG 20 HD2 ARG 20 -5.652 11.938 -2.926
145 HD3 ARG 20 HD1 ARG 20 -6.265 13.228 -1.895
146 HE ARG 20 HE ARG 20 -4.874 14.665 -3.626
147 HH11 ARG 20 HH11 ARG 20 -6.972 11.938 -4.362
148 HH12 ARG 20 HH12 ARG 20 -7.551 12.631 -5.840
149 HH21 ARG 20 HH21 ARG 20 -5.670 15.555 -5.561
150 HH22 ARG 20 HH22 ARG 20 -6.828 14.678 -6.501
151 H GLU 21 HN GLU 21 0.029 12.526 -3.292
152 HA GLU 21 HA GLU 21 0.789 9.986 -4.294
153 HB2 GLU 21 HB2 GLU 21 1.165 12.098 -5.546
154 HB3 GLU 21 HB1 GLU 21 2.333 12.614 -4.331
155 HG2 GLU 21 HG2 GLU 21 3.779 10.659 -4.928
156 HG3 GLU 21 HG1 GLU 21 2.634 10.231 -6.199
157 H HIS 22 HN HIS 22 2.136 12.107 -1.821
158 HA HIS 22 HA HIS 22 4.403 10.656 -1.036
159 HB2 HIS 22 HB2 HIS 22 4.179 12.949 -0.348
160 HB3 HIS 22 HB1 HIS 22 2.647 12.646 0.449
161 HD1 HIS 22 HD1 HIS 22 6.368 12.257 0.983
162 HD2 HIS 22 HD2 HIS 22 2.796 11.701 3.019
163 HE1 HIS 22 HE1 HIS 22 6.985 11.768 3.386
164 H LEU 23 HN LEU 23 1.033 10.038 -0.384
165 HA LEU 23 HA LEU 23 1.280 8.665 2.104
166 HB2 LEU 23 HB2 LEU 23 -0.749 9.815 1.303
167 HB3 LEU 23 HB1 LEU 23 -0.921 8.654 0.004
168 HG LEU 23 HG LEU 23 -0.955 7.582 2.830
169 HD11 LEU 23 HD11 LEU 23 -2.405 9.561 2.998
170 HD12 LEU 23 HD12 LEU 23 -3.343 8.075 3.120
171 HD13 LEU 23 HD13 LEU 23 -3.348 8.999 1.612
172 HD21 LEU 23 HD21 LEU 23 -2.574 6.878 0.361
173 HD22 LEU 23 HD22 LEU 23 -2.606 6.021 1.906
174 HD23 LEU 23 HD23 LEU 23 -1.139 6.028 0.938
175 H GLN 24 HN GLN 24 1.979 7.742 -1.153
176 HA GLN 24 HA GLN 24 1.288 4.971 -1.027
177 HB2 GLN 24 HB2 GLN 24 2.989 6.556 -2.965
178 HB3 GLN 24 HB1 GLN 24 2.552 4.866 -3.190
179 HG2 GLN 24 HG2 GLN 24 0.570 7.151 -3.000
180 HG3 GLN 24 HG1 GLN 24 1.160 6.446 -4.483
181 HE21 GLN 24 HE21 GLN 24 -0.786 5.686 -5.249
182 HE22 GLN 24 HE22 GLN 24 -1.724 4.458 -4.481
183 H THR 25 HN THR 25 4.011 6.839 -0.066
184 HA THR 25 HA THR 25 6.030 4.809 -0.092
185 HB THR 25 HB THR 25 7.391 6.368 1.210
186 HG1 THR 25 HG1 THR 25 5.531 8.375 1.432
187 HG21 THR 25 HG21 THR 25 5.714 7.924 -0.787
188 HG22 THR 25 HG22 THR 25 7.108 6.918 -1.196
189 HG23 THR 25 HG23 THR 25 7.317 8.372 -0.215
190 H HIS 26 HN HIS 26 3.285 5.039 1.837
191 HA HIS 26 HA HIS 26 4.542 3.730 4.192
192 HB2 HIS 26 HB2 HIS 26 2.131 5.589 4.183
193 HB3 HIS 26 HB1 HIS 26 2.810 4.793 5.601
194 HD1 HIS 26 HD1 HIS 26 5.470 5.540 6.038
195 HD2 HIS 26 HD2 HIS 26 3.065 8.045 3.780
196 HE1 HIS 26 HE1 HIS 26 6.552 7.811 6.112
197 H ARG 27 HN ARG 27 2.755 3.003 1.589
198 HA ARG 27 HA ARG 27 0.527 1.582 2.448
199 HB2 ARG 27 HB2 ARG 27 2.441 0.862 0.194
200 HB3 ARG 27 HB1 ARG 27 0.827 0.182 0.397
201 HG2 ARG 27 HG2 ARG 27 1.432 3.118 -0.064
202 HG3 ARG 27 HG1 ARG 27 0.927 1.980 -1.311
203 HD2 ARG 27 HD2 ARG 27 -0.735 2.679 1.135
204 HD3 ARG 27 HD1 ARG 27 -0.929 3.430 -0.449
205 HE ARG 27 HE ARG 27 -1.480 0.601 0.212
206 HH11 ARG 27 HH11 ARG 27 -1.869 3.286 -2.014
207 HH12 ARG 27 HH12 ARG 27 -3.098 2.496 -2.943
208 HH21 ARG 27 HH21 ARG 27 -3.089 -0.425 -1.015
209 HH22 ARG 27 HH22 ARG 27 -3.795 0.396 -2.372
210 H GLY 28 HN GLY 28 3.883 0.453 2.198
211 HA2 GLY 28 HA2 GLY 28 3.802 -1.058 4.580
212 HA3 GLY 28 HA1 GLY 28 3.604 -2.148 3.207
213 HA PRO 29 HA PRO 29 8.250 -1.314 3.731
214 HB2 PRO 29 HB2 PRO 29 8.419 -4.200 4.472
215 HB3 PRO 29 HB1 PRO 29 9.137 -2.798 5.272
216 HG2 PRO 29 HG2 PRO 29 7.067 -4.140 6.379
217 HG3 PRO 29 HG1 PRO 29 7.236 -2.379 6.556
218 HD2 PRO 29 HD2 PRO 29 5.477 -3.936 4.649
219 HD3 PRO 29 HD1 PRO 29 5.072 -2.521 5.656
220 H ALA 30 HN ALA 30 9.674 -1.903 2.082
221 HA ALA 30 HA ALA 30 8.565 -3.546 -0.125
222 HB1 ALA 30 HB1 ALA 30 8.747 -1.148 -0.669
223 HB2 ALA 30 HB2 ALA 30 9.879 -2.094 -1.632
224 HB3 ALA 30 HB3 ALA 30 10.461 -1.165 -0.250
225 H LYS 31 HN LYS 31 9.461 -5.493 0.640
226 HA LYS 31 HA LYS 31 12.266 -5.950 0.150
227 HB2 LYS 31 HB2 LYS 31 12.820 -6.753 2.420
228 HB3 LYS 31 HB1 LYS 31 12.436 -5.036 2.407
229 HG2 LYS 31 HG2 LYS 31 10.230 -5.477 3.356
230 HG3 LYS 31 HG1 LYS 31 10.509 -7.219 3.261
231 HD2 LYS 31 HD2 LYS 31 12.402 -6.977 4.863
232 HD3 LYS 31 HD1 LYS 31 12.052 -5.249 4.988
233 HE2 LYS 31 HE2 LYS 31 9.813 -5.773 5.893
234 HE3 LYS 31 HE1 LYS 31 10.160 -7.501 5.766
235 HZ1 LYS 31 HZ1 LYS 31 11.977 -7.204 7.332
236 HZ2 LYS 31 HZ2 LYS 31 10.519 -6.671 8.010
237 HZ3 LYS 31 HZ3 LYS 31 11.642 -5.550 7.447
238 H HIS 32 HN HIS 32 9.939 -6.946 -1.013
239 HA HIS 32 HA HIS 32 9.503 -9.687 0.026
240 HB2 HIS 32 HB2 HIS 32 7.972 -8.121 -2.107
241 HB3 HIS 32 HB1 HIS 32 7.555 -9.728 -1.524
242 HD1 HIS 32 HD1 HIS 32 6.114 -9.856 0.551
243 HD2 HIS 32 HD2 HIS 32 7.481 -6.009 -0.218
244 HE1 HIS 32 HE1 HIS 32 4.837 -8.357 2.105
245 HE2 HIS 32 HE2 HIS 32 5.817 -6.071 1.745
246 H TYR 33 HN TYR 33 12.029 -9.272 -1.106
247 HA TYR 33 HA TYR 33 11.961 -9.666 -3.982
248 HB2 TYR 33 HB2 TYR 33 14.303 -9.356 -2.046
249 HB3 TYR 33 HB1 TYR 33 14.440 -9.417 -3.805
250 HD1 TYR 33 HD2 TYR 33 12.950 -7.625 -5.117
251 HD2 TYR 33 HD1 TYR 33 14.139 -7.204 -1.041
252 HE1 TYR 33 HE2 TYR 33 12.572 -5.207 -5.251
253 HE2 TYR 33 HE1 TYR 33 13.754 -4.779 -1.183
254 HH TYR 33 HH TYR 33 12.090 -3.337 -3.741
255 H MET 34 HN MET 34 11.765 -11.614 -4.777
256 HA MET 34 HA MET 34 12.651 -13.992 -3.248
257 HB2 MET 34 HB2 MET 34 10.157 -13.549 -3.271
258 HB3 MET 34 HB1 MET 34 10.173 -13.748 -5.015
259 HG2 MET 34 HG2 MET 34 10.878 -16.071 -4.776
260 HG3 MET 34 HG1 MET 34 10.990 -15.885 -3.024
261 HE1 MET 34 HE1 MET 34 8.294 -14.003 -2.601
262 HE2 MET 34 HE2 MET 34 8.840 -15.275 -1.507
263 HE3 MET 34 HE3 MET 34 7.183 -15.281 -2.113
264 H CYS 35 HN CYS 35 13.568 -15.640 -4.409
265 HA CYS 35 HA CYS 35 15.182 -15.021 -6.589
266 HB2 CYS 35 HB2 CYS 35 15.892 -16.747 -5.115
267 HB3 CYS 35 HB1 CYS 35 14.411 -17.627 -5.288
268 HA PRO 36 HA PRO 36 12.415 -15.641 -10.126
269 HB2 PRO 36 HB2 PRO 36 15.022 -16.018 -11.595
270 HB3 PRO 36 HB1 PRO 36 13.675 -14.927 -11.959
271 HG2 PRO 36 HG2 PRO 36 15.916 -13.949 -10.900
272 HG3 PRO 36 HG1 PRO 36 14.337 -13.363 -10.329
273 HD2 PRO 36 HD2 PRO 36 16.194 -15.371 -9.041
274 HD3 PRO 36 HD1 PRO 36 15.312 -14.017 -8.298
275 H ILE 37 HN ILE 37 15.238 -17.867 -9.699
276 HA ILE 37 HA ILE 37 14.016 -19.887 -11.382
277 HB ILE 37 HB ILE 37 16.609 -19.953 -9.788
278 HG12 ILE 37 HG12 ILE 37 16.189 -19.324 -12.755
279 HG13 ILE 37 HG11 ILE 37 16.518 -18.121 -11.514
280 HG21 ILE 37 HG21 ILE 37 17.263 -21.804 -11.307
281 HG22 ILE 37 HG22 ILE 37 15.656 -21.769 -12.037
282 HG23 ILE 37 HG23 ILE 37 15.848 -22.218 -10.342
283 HD11 ILE 37 HD11 ILE 37 18.709 -19.124 -11.112
284 HD12 ILE 37 HD12 ILE 37 18.501 -18.630 -12.792
285 HD13 ILE 37 HD13 ILE 37 18.383 -20.336 -12.358
286 H CYS 38 HN CYS 38 15.058 -19.876 -7.887
287 HA CYS 38 HA CYS 38 13.192 -22.105 -7.447
288 HB2 CYS 38 HB2 CYS 38 14.789 -23.174 -5.991
289 HB3 CYS 38 HB1 CYS 38 15.468 -22.941 -7.574
290 H GLY 39 HN GLY 39 13.514 -18.971 -6.603
291 HA2 GLY 39 HA2 GLY 39 12.187 -17.724 -5.345
292 HA3 GLY 39 HA1 GLY 39 11.163 -19.136 -5.165
293 H GLU 40 HN GLU 40 14.418 -18.793 -3.752
294 HA GLU 40 HA GLU 40 13.597 -18.697 -1.052
295 HB2 GLU 40 HB2 GLU 40 16.192 -17.737 -2.354
296 HB3 GLU 40 HB1 GLU 40 15.936 -17.868 -0.622
297 HG2 GLU 40 HG2 GLU 40 17.232 -19.732 -1.430
298 HG3 GLU 40 HG1 GLU 40 15.685 -20.295 -0.815
299 H ARG 41 HN ARG 41 12.847 -17.010 0.122
300 HA ARG 41 HA ARG 41 12.757 -14.308 -1.033
301 HB2 ARG 41 HB2 ARG 41 11.149 -13.706 0.642
302 HB3 ARG 41 HB1 ARG 41 10.677 -15.271 0.011
303 HG2 ARG 41 HG2 ARG 41 12.123 -14.900 2.653
304 HG3 ARG 41 HG1 ARG 41 10.369 -14.938 2.497
305 HD2 ARG 41 HD2 ARG 41 10.547 -17.231 1.539
306 HD3 ARG 41 HD1 ARG 41 12.289 -17.184 1.822
307 HE ARG 41 HE ARG 41 11.217 -16.657 4.271
308 HH11 ARG 41 HH11 ARG 41 10.833 -19.282 1.976
309 HH12 ARG 41 HH12 ARG 41 10.445 -20.458 3.191
310 HH21 ARG 41 HH21 ARG 41 10.691 -18.218 5.868
311 HH22 ARG 41 HH22 ARG 41 10.369 -19.861 5.402
312 H PHE 42 HN PHE 42 14.071 -12.715 -0.424
313 HA PHE 42 HA PHE 42 15.791 -13.011 1.961
314 HB2 PHE 42 HB2 PHE 42 16.500 -12.107 -0.848
315 HB3 PHE 42 HB1 PHE 42 17.452 -11.583 0.528
316 HD1 PHE 42 HD1 PHE 42 16.527 -14.514 -1.525
317 HD2 PHE 42 HD2 PHE 42 18.915 -13.112 1.733
318 HE1 PHE 42 HE1 PHE 42 17.848 -16.572 -1.599
319 HE2 PHE 42 HE2 PHE 42 20.240 -15.184 1.648
320 HZ PHE 42 HZ PHE 42 19.706 -16.918 -0.018
321 HA PRO 43 HA PRO 43 14.204 -9.165 3.420
322 HB2 PRO 43 HB2 PRO 43 16.351 -8.031 4.709
323 HB3 PRO 43 HB1 PRO 43 15.513 -9.462 5.325
324 HG2 PRO 43 HG2 PRO 43 18.017 -9.332 3.639
325 HG3 PRO 43 HG1 PRO 43 17.749 -10.235 5.147
326 HD2 PRO 43 HD2 PRO 43 17.561 -11.467 2.783
327 HD3 PRO 43 HD1 PRO 43 16.402 -11.853 4.078
328 H SER 44 HN SER 44 16.762 -9.044 1.041
329 HA SER 44 HA SER 44 15.950 -6.347 0.278
330 HB2 SER 44 HB2 SER 44 18.332 -5.513 0.262
331 HB3 SER 44 HB1 SER 44 17.711 -5.821 1.872
332 HG SER 44 HG SER 44 19.575 -6.868 1.967
333 H LEU 45 HN LEU 45 16.866 -5.656 -1.717
334 HA LEU 45 HA LEU 45 17.455 -7.780 -3.651
335 HB2 LEU 45 HB2 LEU 45 15.815 -5.730 -3.950
336 HB3 LEU 45 HB1 LEU 45 17.269 -4.830 -4.309
337 HG LEU 45 HG LEU 45 15.927 -5.678 -6.308
338 HD11 LEU 45 HD11 LEU 45 17.861 -6.263 -7.696
339 HD12 LEU 45 HD12 LEU 45 18.835 -6.518 -6.246
340 HD13 LEU 45 HD13 LEU 45 18.221 -4.910 -6.625
341 HD21 LEU 45 HD21 LEU 45 15.361 -7.901 -5.457
342 HD22 LEU 45 HD22 LEU 45 17.059 -8.382 -5.546
343 HD23 LEU 45 HD23 LEU 45 16.167 -7.997 -7.022
344 H LEU 46 HN LEU 46 19.329 -7.946 -2.067
345 HA LEU 46 HA LEU 46 21.777 -6.861 -3.196
346 HB2 LEU 46 HB2 LEU 46 21.154 -6.745 -0.192
347 HB3 LEU 46 HB1 LEU 46 22.714 -6.380 -0.914
348 HG LEU 46 HG LEU 46 20.188 -4.729 -1.338
349 HD11 LEU 46 HD11 LEU 46 21.206 -3.061 0.161
350 HD12 LEU 46 HD12 LEU 46 22.553 -4.163 0.474
351 HD13 LEU 46 HD13 LEU 46 20.923 -4.591 0.999
352 HD21 LEU 46 HD21 LEU 46 21.748 -4.533 -3.211
353 HD22 LEU 46 HD22 LEU 46 23.071 -4.157 -2.101
354 HD23 LEU 46 HD23 LEU 46 21.712 -3.044 -2.271
355 H THR 47 HN THR 47 20.366 -8.632 -0.483
356 HA THR 47 HA THR 47 22.183 -10.815 -0.432
357 HB THR 47 HB THR 47 20.372 -11.796 1.123
358 HG1 THR 47 HG1 THR 47 19.113 -9.348 1.328
359 HG21 THR 47 HG21 THR 47 22.243 -10.468 2.051
360 HG22 THR 47 HG22 THR 47 20.743 -10.136 2.925
361 HG23 THR 47 HG23 THR 47 21.348 -8.975 1.737
362 H LEU 48 HN LEU 48 18.929 -10.376 -1.812
363 HA LEU 48 HA LEU 48 18.519 -12.937 -2.859
364 HB2 LEU 48 HB2 LEU 48 16.849 -11.028 -2.629
365 HB3 LEU 48 HB1 LEU 48 17.557 -10.296 -4.052
366 HG LEU 48 HG LEU 48 15.346 -11.586 -4.364
367 HD11 LEU 48 HD11 LEU 48 17.629 -12.451 -6.161
368 HD12 LEU 48 HD12 LEU 48 16.700 -10.956 -6.310
369 HD13 LEU 48 HD13 LEU 48 15.903 -12.512 -6.545
370 HD21 LEU 48 HD21 LEU 48 15.869 -13.524 -2.959
371 HD22 LEU 48 HD22 LEU 48 17.145 -14.017 -4.079
372 HD23 LEU 48 HD23 LEU 48 15.460 -14.018 -4.599
373 H THR 49 HN THR 49 20.090 -10.095 -4.253
374 HA THR 49 HA THR 49 20.735 -11.136 -6.778
375 HB THR 49 HB THR 49 22.322 -9.018 -5.258
376 HG1 THR 49 HG1 THR 49 20.833 -7.551 -6.210
377 HG21 THR 49 HG21 THR 49 22.767 -8.125 -7.523
378 HG22 THR 49 HG22 THR 49 21.875 -9.469 -8.238
379 HG23 THR 49 HG23 THR 49 23.378 -9.772 -7.358
380 H GLU 50 HN GLU 50 22.542 -11.123 -3.747
381 HA GLU 50 HA GLU 50 24.955 -12.311 -4.561
382 HB2 GLU 50 HB2 GLU 50 23.525 -12.441 -1.879
383 HB3 GLU 50 HB1 GLU 50 25.147 -13.089 -2.135
384 HG2 GLU 50 HG2 GLU 50 25.947 -10.830 -2.725
385 HG3 GLU 50 HG1 GLU 50 24.328 -10.188 -2.479
386 H HIS 51 HN HIS 51 21.927 -13.812 -3.443
387 HA HIS 51 HA HIS 51 22.740 -16.516 -3.642
388 HB2 HIS 51 HB2 HIS 51 20.768 -16.028 -2.372
389 HB3 HIS 51 HB1 HIS 51 20.024 -15.149 -3.703
390 HD1 HIS 51 HD1 HIS 51 21.095 -18.750 -2.960
391 HD2 HIS 51 HD2 HIS 51 18.231 -16.612 -5.070
392 HE1 HIS 51 HE1 HIS 51 19.588 -20.458 -4.043
393 H LYS 52 HN LYS 52 21.294 -14.284 -5.945
394 HA LYS 52 HA LYS 52 20.593 -16.153 -7.938
395 HB2 LYS 52 HB2 LYS 52 19.541 -13.934 -7.662
396 HB3 LYS 52 HB1 LYS 52 21.042 -13.156 -8.160
397 HG2 LYS 52 HG2 LYS 52 20.834 -14.152 -10.398
398 HG3 LYS 52 HG1 LYS 52 19.385 -15.020 -9.891
399 HD2 LYS 52 HD2 LYS 52 18.787 -13.035 -11.218
400 HD3 LYS 52 HD1 LYS 52 18.190 -12.895 -9.564
401 HE2 LYS 52 HE2 LYS 52 20.017 -11.369 -8.998
402 HE3 LYS 52 HE1 LYS 52 20.717 -11.572 -10.607
403 HZ1 LYS 52 HZ1 LYS 52 19.450 -9.525 -10.449
404 HZ2 LYS 52 HZ2 LYS 52 18.072 -10.378 -9.994
405 HZ3 LYS 52 HZ3 LYS 52 18.713 -10.582 -11.544
406 H VAL 53 HN VAL 53 23.512 -14.169 -7.482
407 HA VAL 53 HA VAL 53 24.645 -14.847 -10.035
408 HB VAL 53 HB VAL 53 26.654 -13.666 -9.259
409 HG11 VAL 53 HG11 VAL 53 24.827 -12.327 -10.205
410 HG12 VAL 53 HG12 VAL 53 25.676 -11.413 -8.961
411 HG13 VAL 53 HG13 VAL 53 24.110 -12.139 -8.600
412 HG21 VAL 53 HG21 VAL 53 26.723 -14.335 -6.898
413 HG22 VAL 53 HG22 VAL 53 25.259 -13.400 -6.569
414 HG23 VAL 53 HG23 VAL 53 26.752 -12.578 -7.036
415 H THR 54 HN THR 54 24.814 -16.169 -6.815
416 HA THR 54 HA THR 54 26.943 -18.073 -7.472
417 HB THR 54 HB THR 54 26.551 -18.935 -5.127
418 HG1 THR 54 HG1 THR 54 25.098 -16.763 -4.318
419 HG21 THR 54 HG21 THR 54 27.041 -15.939 -5.335
420 HG22 THR 54 HG22 THR 54 28.263 -17.197 -5.528
421 HG23 THR 54 HG23 THR 54 27.479 -16.965 -3.967
422 H HIS 55 HN HIS 55 23.957 -18.026 -8.568
423 HA HIS 55 HA HIS 55 22.824 -20.507 -7.907
424 HB2 HIS 55 HB2 HIS 55 22.171 -18.338 -9.669
425 HB3 HIS 55 HB1 HIS 55 22.137 -19.780 -10.665
426 HD1 HIS 55 HD1 HIS 55 20.426 -21.626 -9.967
427 HD2 HIS 55 HD2 HIS 55 20.079 -18.058 -7.893
428 HE1 HIS 55 HE1 HIS 55 18.226 -21.733 -8.763
Start of MODEL 4
1 H1 MET 1 HT1 MET 1 -10.086 23.444 10.833
2 H2 MET 1 HT2 MET 1 -8.949 22.661 9.860
3 H3 MET 1 HT3 MET 1 -9.814 21.789 11.017
4 HA MET 1 HA MET 1 -11.859 22.161 9.858
5 HB2 MET 1 HB2 MET 1 -11.337 24.339 8.875
6 HB3 MET 1 HB1 MET 1 -10.084 23.636 7.865
7 HG2 MET 1 HG2 MET 1 -11.780 22.393 6.601
8 HG3 MET 1 HG1 MET 1 -13.051 23.031 7.642
9 HE1 MET 1 HE1 MET 1 -12.112 26.117 8.005
10 HE2 MET 1 HE2 MET 1 -13.772 25.604 7.692
11 HE3 MET 1 HE3 MET 1 -13.030 26.849 6.691
12 H GLY 2 HN GLY 2 -8.876 21.720 7.928
13 HA2 GLY 2 HA2 GLY 2 -9.493 18.863 7.504
14 HA3 GLY 2 HA1 GLY 2 -9.278 19.902 6.097
15 H SER 3 HN SER 3 -7.680 17.695 7.797
16 HA SER 3 HA SER 3 -5.038 18.989 7.423
17 HB2 SER 3 HB2 SER 3 -5.814 16.943 9.554
18 HB3 SER 3 HB1 SER 3 -4.192 17.589 9.286
19 HG SER 3 HG SER 3 -5.918 19.623 9.526
20 H HIS 4 HN HIS 4 -4.864 18.199 5.387
21 HA HIS 4 HA HIS 4 -4.384 15.327 4.988
22 HB2 HIS 4 HB2 HIS 4 -4.067 17.683 3.069
23 HB3 HIS 4 HB1 HIS 4 -3.691 16.010 2.654
24 HD1 HIS 4 HD1 HIS 4 -5.663 14.434 2.182
25 HD2 HIS 4 HD2 HIS 4 -6.853 18.226 3.372
26 HE1 HIS 4 HE1 HIS 4 -8.128 14.538 1.748
27 HE2 HIS 4 HE2 HIS 4 -8.808 16.861 2.425
28 H LYS 5 HN LYS 5 -2.923 15.371 6.782
29 HA LYS 5 HA LYS 5 -0.140 16.057 6.043
30 HB2 LYS 5 HB2 LYS 5 -0.917 17.681 7.719
31 HB3 LYS 5 HB1 LYS 5 -1.496 16.389 8.759
32 HG2 LYS 5 HG2 LYS 5 0.817 15.620 9.138
33 HG3 LYS 5 HG1 LYS 5 1.422 16.873 8.056
34 HD2 LYS 5 HD2 LYS 5 -0.038 17.352 10.681
35 HD3 LYS 5 HD1 LYS 5 1.699 17.495 10.425
36 HE2 LYS 5 HE2 LYS 5 1.305 19.329 8.810
37 HE3 LYS 5 HE1 LYS 5 -0.430 19.204 9.100
38 HZ1 LYS 5 HZ1 LYS 5 0.556 20.977 10.396
39 HZ2 LYS 5 HZ2 LYS 5 1.616 19.895 11.135
40 HZ3 LYS 5 HZ3 LYS 5 -0.047 19.775 11.415
41 H CYS 6 HN CYS 6 1.248 14.343 6.271
42 HA CYS 6 HA CYS 6 0.262 11.750 6.918
43 HB2 CYS 6 HB2 CYS 6 2.139 12.158 5.314
44 HB3 CYS 6 HB1 CYS 6 3.135 12.708 6.637
45 H ASN 7 HN ASN 7 -0.476 11.705 9.046
46 HA ASN 7 HA ASN 7 0.726 12.643 11.365
47 HB2 ASN 7 HB2 ASN 7 -1.560 11.871 11.393
48 HB3 ASN 7 HB1 ASN 7 -1.091 10.252 10.883
49 HD21 ASN 7 HD21 ASN 7 -0.336 8.802 12.447
50 HD22 ASN 7 HD22 ASN 7 -0.395 9.127 14.143
51 H VAL 8 HN VAL 8 1.384 9.660 9.613
52 HA VAL 8 HA VAL 8 2.780 8.172 11.534
53 HB VAL 8 HB VAL 8 3.419 8.140 8.544
54 HG11 VAL 8 HG11 VAL 8 5.003 6.834 9.893
55 HG12 VAL 8 HG12 VAL 8 4.008 5.760 8.905
56 HG13 VAL 8 HG13 VAL 8 3.674 5.944 10.631
57 HG21 VAL 8 HG21 VAL 8 0.993 7.962 8.829
58 HG22 VAL 8 HG22 VAL 8 1.202 6.636 9.982
59 HG23 VAL 8 HG23 VAL 8 1.666 6.424 8.291
60 H CYS 9 HN CYS 9 4.082 10.431 9.104
61 HA CYS 9 HA CYS 9 6.772 10.423 10.237
62 HB2 CYS 9 HB2 CYS 9 5.546 12.093 8.025
63 HB3 CYS 9 HB1 CYS 9 7.244 12.114 8.464
64 H SER 10 HN SER 10 3.938 12.386 10.267
65 HA SER 10 HA SER 10 3.140 14.140 11.409
66 HB2 SER 10 HB2 SER 10 4.343 13.294 13.405
67 HB3 SER 10 HB1 SER 10 5.774 14.203 12.936
68 HG SER 10 HG SER 10 3.653 15.845 12.997
69 H ARG 11 HN ARG 11 5.204 14.216 9.046
70 HA ARG 11 HA ARG 11 6.003 17.002 9.009
71 HB2 ARG 11 HB2 ARG 11 7.453 15.176 8.151
72 HB3 ARG 11 HB1 ARG 11 6.223 14.758 6.973
73 HG2 ARG 11 HG2 ARG 11 7.932 15.971 5.849
74 HG3 ARG 11 HG1 ARG 11 6.513 17.009 5.950
75 HD2 ARG 11 HD2 ARG 11 7.505 18.271 7.774
76 HD3 ARG 11 HD1 ARG 11 8.873 17.156 7.855
77 HE ARG 11 HE ARG 11 8.447 18.577 5.334
78 HH11 ARG 11 HH11 ARG 11 10.303 18.370 8.323
79 HH12 ARG 11 HH12 ARG 11 11.574 19.397 7.743
80 HH21 ARG 11 HH21 ARG 11 10.140 19.928 4.612
81 HH22 ARG 11 HH22 ARG 11 11.485 20.267 5.653
82 H THR 12 HN THR 12 5.259 18.500 7.413
83 HA THR 12 HA THR 12 2.427 18.136 6.710
84 HB THR 12 HB THR 12 3.071 20.185 7.992
85 HG1 THR 12 HG1 THR 12 2.135 20.959 5.420
86 HG21 THR 12 HG21 THR 12 4.208 22.052 6.875
87 HG22 THR 12 HG22 THR 12 4.465 21.059 5.438
88 HG23 THR 12 HG23 THR 12 5.277 20.649 6.951
89 H PHE 13 HN PHE 13 1.630 18.544 4.698
90 HA PHE 13 HA PHE 13 3.218 18.300 2.314
91 HB2 PHE 13 HB2 PHE 13 1.079 18.396 1.125
92 HB3 PHE 13 HB1 PHE 13 0.933 17.311 2.496
93 HD1 PHE 13 HD1 PHE 13 0.473 19.610 4.641
94 HD2 PHE 13 HD2 PHE 13 -1.268 18.774 0.832
95 HE1 PHE 13 HE1 PHE 13 -1.587 20.727 5.336
96 HE2 PHE 13 HE2 PHE 13 -3.319 19.907 1.526
97 HZ PHE 13 HZ PHE 13 -3.492 20.890 3.782
98 H PHE 14 HN PHE 14 2.340 19.898 0.445
99 HA PHE 14 HA PHE 14 2.408 22.730 1.309
100 HB2 PHE 14 HB2 PHE 14 3.674 21.622 -1.253
101 HB3 PHE 14 HB1 PHE 14 3.619 23.313 -0.772
102 HD1 PHE 14 HD2 PHE 14 4.977 24.083 1.224
103 HD2 PHE 14 HD1 PHE 14 5.414 20.172 -0.459
104 HE1 PHE 14 HE2 PHE 14 7.158 23.845 2.327
105 HE2 PHE 14 HE1 PHE 14 7.590 19.941 0.648
106 HZ PHE 14 HZ PHE 14 8.471 21.777 2.038
107 H SER 15 HN SER 15 1.752 20.502 -1.379
108 HA SER 15 HA SER 15 -0.941 21.664 -1.797
109 HB2 SER 15 HB2 SER 15 -0.764 20.736 -4.118
110 HB3 SER 15 HB1 SER 15 0.508 21.916 -3.792
111 HG SER 15 HG SER 15 0.984 19.695 -4.799
112 H GLU 16 HN GLU 16 -2.637 20.025 -2.251
113 HA GLU 16 HA GLU 16 -2.538 17.963 -0.281
114 HB2 GLU 16 HB2 GLU 16 -4.649 19.174 -0.883
115 HB3 GLU 16 HB1 GLU 16 -4.651 18.353 -2.445
116 HG2 GLU 16 HG2 GLU 16 -4.783 16.152 -1.255
117 HG3 GLU 16 HG1 GLU 16 -4.876 17.014 0.280
118 H ASN 17 HN ASN 17 -2.032 17.983 -3.787
119 HA ASN 17 HA ASN 17 -2.248 15.110 -4.099
120 HB2 ASN 17 HB2 ASN 17 -1.056 17.195 -5.990
121 HB3 ASN 17 HB1 ASN 17 -1.343 15.505 -6.387
122 HD21 ASN 17 HD21 ASN 17 -2.773 18.597 -6.002
123 HD22 ASN 17 HD22 ASN 17 -4.361 18.171 -6.521
124 H GLY 18 HN GLY 18 0.254 17.441 -3.345
125 HA2 GLY 18 HA2 GLY 18 2.569 15.846 -3.617
126 HA3 GLY 18 HA1 GLY 18 2.372 17.204 -2.516
127 H LEU 19 HN LEU 19 0.305 16.277 -0.877
128 HA LEU 19 HA LEU 19 1.471 14.455 0.927
129 HB2 LEU 19 HB2 LEU 19 -0.345 16.096 1.425
130 HB3 LEU 19 HB1 LEU 19 -1.480 15.123 0.544
131 HG LEU 19 HG LEU 19 -1.562 14.983 3.113
132 HD11 LEU 19 HD11 LEU 19 -2.774 13.372 1.726
133 HD12 LEU 19 HD12 LEU 19 -2.161 12.636 3.203
134 HD13 LEU 19 HD13 LEU 19 -1.348 12.333 1.666
135 HD21 LEU 19 HD21 LEU 19 -0.021 13.445 4.241
136 HD22 LEU 19 HD22 LEU 19 0.837 14.821 3.559
137 HD23 LEU 19 HD23 LEU 19 0.908 13.252 2.749
138 H ARG 20 HN ARG 20 -1.019 14.028 -1.570
139 HA ARG 20 HA ARG 20 -1.596 11.299 -1.185
140 HB2 ARG 20 HB2 ARG 20 -1.828 13.028 -3.674
141 HB3 ARG 20 HB1 ARG 20 -2.545 11.427 -3.508
142 HG2 ARG 20 HG2 ARG 20 -3.210 13.840 -1.806
143 HG3 ARG 20 HG1 ARG 20 -4.178 13.228 -3.141
144 HD2 ARG 20 HD2 ARG 20 -3.576 11.789 -0.541
145 HD3 ARG 20 HD1 ARG 20 -5.124 12.489 -1.014
146 HE ARG 20 HE ARG 20 -4.023 10.395 -2.741
147 HH11 ARG 20 HH11 ARG 20 -6.403 11.261 -0.295
148 HH12 ARG 20 HH12 ARG 20 -7.265 9.762 -0.437
149 HH21 ARG 20 HH21 ARG 20 -5.178 8.452 -2.937
150 HH22 ARG 20 HH22 ARG 20 -6.576 8.170 -1.948
151 H GLU 21 HN GLU 21 0.936 12.867 -3.044
152 HA GLU 21 HA GLU 21 1.879 10.655 -4.518
153 HB2 GLU 21 HB2 GLU 21 2.370 13.117 -4.960
154 HB3 GLU 21 HB1 GLU 21 3.426 13.113 -3.553
155 HG2 GLU 21 HG2 GLU 21 4.753 12.953 -5.567
156 HG3 GLU 21 HG1 GLU 21 4.871 11.440 -4.679
157 H HIS 22 HN HIS 22 2.855 12.168 -1.477
158 HA HIS 22 HA HIS 22 4.916 10.354 -0.739
159 HB2 HIS 22 HB2 HIS 22 4.900 12.617 0.131
160 HB3 HIS 22 HB1 HIS 22 3.301 12.407 0.828
161 HD1 HIS 22 HD1 HIS 22 6.911 11.468 1.426
162 HD2 HIS 22 HD2 HIS 22 3.226 11.266 3.319
163 HE1 HIS 22 HE1 HIS 22 7.373 10.770 3.804
164 H LEU 23 HN LEU 23 1.476 10.302 -0.338
165 HA LEU 23 HA LEU 23 1.074 8.846 2.004
166 HB2 LEU 23 HB2 LEU 23 -0.557 10.188 0.498
167 HB3 LEU 23 HB1 LEU 23 -0.726 8.708 -0.434
168 HG LEU 23 HG LEU 23 -1.510 7.562 1.665
169 HD11 LEU 23 HD11 LEU 23 -0.512 8.968 3.360
170 HD12 LEU 23 HD12 LEU 23 -2.260 8.990 3.568
171 HD13 LEU 23 HD13 LEU 23 -1.444 10.363 2.819
172 HD21 LEU 23 HD21 LEU 23 -3.774 8.570 1.653
173 HD22 LEU 23 HD22 LEU 23 -3.145 8.363 0.021
174 HD23 LEU 23 HD23 LEU 23 -3.144 9.962 0.770
175 H GLN 24 HN GLN 24 1.857 7.772 -1.210
176 HA GLN 24 HA GLN 24 0.815 5.131 -1.001
177 HB2 GLN 24 HB2 GLN 24 2.699 6.230 -3.092
178 HB3 GLN 24 HB1 GLN 24 1.623 4.849 -3.245
179 HG2 GLN 24 HG2 GLN 24 0.826 7.756 -3.005
180 HG3 GLN 24 HG1 GLN 24 0.666 6.722 -4.406
181 HE21 GLN 24 HE21 GLN 24 -1.330 8.272 -2.877
182 HE22 GLN 24 HE22 GLN 24 -2.567 7.147 -2.453
183 H THR 25 HN THR 25 3.861 6.486 -0.083
184 HA THR 25 HA THR 25 5.457 4.078 -0.339
185 HB THR 25 HB THR 25 7.115 5.401 1.114
186 HG1 THR 25 HG1 THR 25 6.003 6.936 2.125
187 HG21 THR 25 HG21 THR 25 7.355 5.341 -1.338
188 HG22 THR 25 HG22 THR 25 7.777 6.932 -0.704
189 HG23 THR 25 HG23 THR 25 6.218 6.681 -1.489
190 H HIS 26 HN HIS 26 3.082 5.003 1.863
191 HA HIS 26 HA HIS 26 4.184 3.372 4.078
192 HB2 HIS 26 HB2 HIS 26 1.845 5.319 4.042
193 HB3 HIS 26 HB1 HIS 26 2.264 4.312 5.428
194 HD1 HIS 26 HD1 HIS 26 4.643 4.839 6.553
195 HD2 HIS 26 HD2 HIS 26 3.278 7.623 3.804
196 HE1 HIS 26 HE1 HIS 26 5.995 6.922 6.936
197 H ARG 27 HN ARG 27 2.525 2.868 1.352
198 HA ARG 27 HA ARG 27 1.285 0.425 2.422
199 HB2 ARG 27 HB2 ARG 27 -0.677 0.694 0.897
200 HB3 ARG 27 HB1 ARG 27 -0.616 1.909 2.164
201 HG2 ARG 27 HG2 ARG 27 0.146 3.606 0.596
202 HG3 ARG 27 HG1 ARG 27 0.294 2.399 -0.687
203 HD2 ARG 27 HD2 ARG 27 -1.753 3.726 -0.970
204 HD3 ARG 27 HD1 ARG 27 -2.150 2.039 -0.650
205 HE ARG 27 HE ARG 27 -2.490 4.310 1.208
206 HH11 ARG 27 HH11 ARG 27 -3.127 0.928 0.495
207 HH12 ARG 27 HH12 ARG 27 -4.362 0.780 1.705
208 HH21 ARG 27 HH21 ARG 27 -4.138 4.096 2.775
209 HH22 ARG 27 HH22 ARG 27 -4.947 2.571 2.971
210 H GLY 28 HN GLY 28 3.706 1.468 0.734
211 HA2 GLY 28 HA2 GLY 28 3.483 -0.120 -1.689
212 HA3 GLY 28 HA1 GLY 28 4.921 0.711 -1.119
213 HA PRO 29 HA PRO 29 4.828 -4.086 -0.031
214 HB2 PRO 29 HB2 PRO 29 6.504 -4.316 -2.530
215 HB3 PRO 29 HB1 PRO 29 5.288 -5.429 -1.880
216 HG2 PRO 29 HG2 PRO 29 4.700 -3.893 -3.989
217 HG3 PRO 29 HG1 PRO 29 3.488 -4.161 -2.719
218 HD2 PRO 29 HD2 PRO 29 5.246 -1.740 -3.175
219 HD3 PRO 29 HD1 PRO 29 3.527 -1.811 -2.732
220 H ALA 30 HN ALA 30 6.298 -4.321 1.530
221 HA ALA 30 HA ALA 30 9.074 -3.347 1.180
222 HB1 ALA 30 HB1 ALA 30 7.848 -1.862 2.707
223 HB2 ALA 30 HB2 ALA 30 9.108 -2.742 3.571
224 HB3 ALA 30 HB3 ALA 30 7.422 -3.239 3.727
225 H LYS 31 HN LYS 31 9.370 -5.484 0.351
226 HA LYS 31 HA LYS 31 9.486 -7.682 2.313
227 HB2 LYS 31 HB2 LYS 31 9.725 -7.612 -0.726
228 HB3 LYS 31 HB1 LYS 31 10.234 -9.020 0.197
229 HG2 LYS 31 HG2 LYS 31 8.031 -9.396 -0.698
230 HG3 LYS 31 HG1 LYS 31 7.940 -9.288 1.060
231 HD2 LYS 31 HD2 LYS 31 7.059 -6.992 0.889
232 HD3 LYS 31 HD1 LYS 31 7.211 -7.048 -0.871
233 HE2 LYS 31 HE2 LYS 31 4.882 -7.439 -0.092
234 HE3 LYS 31 HE1 LYS 31 5.528 -8.808 -0.998
235 HZ1 LYS 31 HZ1 LYS 31 5.936 -9.956 1.063
236 HZ2 LYS 31 HZ2 LYS 31 4.317 -9.480 0.991
237 HZ3 LYS 31 HZ3 LYS 31 5.405 -8.629 1.962
238 H HIS 32 HN HIS 32 11.451 -8.662 2.859
239 HA HIS 32 HA HIS 32 13.909 -7.241 2.102
240 HB2 HIS 32 HB2 HIS 32 15.052 -8.399 3.870
241 HB3 HIS 32 HB1 HIS 32 13.529 -7.829 4.534
242 HD1 HIS 32 HD1 HIS 32 15.482 -10.915 3.829
243 HD2 HIS 32 HD2 HIS 32 11.694 -9.931 5.220
244 HE1 HIS 32 HE1 HIS 32 14.593 -12.997 4.891
245 HE2 HIS 32 HE2 HIS 32 12.307 -12.386 5.748
246 H TYR 33 HN TYR 33 15.262 -8.010 0.594
247 HA TYR 33 HA TYR 33 15.361 -10.801 -0.117
248 HB2 TYR 33 HB2 TYR 33 15.279 -10.080 -2.681
249 HB3 TYR 33 HB1 TYR 33 13.813 -10.495 -1.812
250 HD1 TYR 33 HD1 TYR 33 15.737 -7.680 -3.293
251 HD2 TYR 33 HD2 TYR 33 12.107 -8.804 -1.346
252 HE1 TYR 33 HE1 TYR 33 14.729 -5.537 -3.923
253 HE2 TYR 33 HE2 TYR 33 11.112 -6.653 -1.965
254 HH TYR 33 HH TYR 33 11.934 -4.335 -2.569
255 H MET 34 HN MET 34 17.255 -10.499 0.966
256 HA MET 34 HA MET 34 19.479 -9.583 -0.734
257 HB2 MET 34 HB2 MET 34 19.130 -7.939 1.148
258 HB3 MET 34 HB1 MET 34 19.315 -9.250 2.313
259 HG2 MET 34 HG2 MET 34 21.641 -9.590 1.539
260 HG3 MET 34 HG1 MET 34 21.449 -8.271 0.380
261 HE1 MET 34 HE1 MET 34 23.876 -8.284 2.396
262 HE2 MET 34 HE2 MET 34 23.843 -6.641 3.030
263 HE3 MET 34 HE3 MET 34 23.572 -6.930 1.310
264 H CYS 35 HN CYS 35 21.070 -11.105 -0.886
265 HA CYS 35 HA CYS 35 20.500 -13.786 -0.356
266 HB2 CYS 35 HB2 CYS 35 21.948 -13.244 -2.163
267 HB3 CYS 35 HB1 CYS 35 23.028 -12.356 -1.139
268 HA PRO 36 HA PRO 36 21.952 -14.172 3.936
269 HB2 PRO 36 HB2 PRO 36 21.984 -17.116 3.370
270 HB3 PRO 36 HB1 PRO 36 21.095 -16.217 4.611
271 HG2 PRO 36 HG2 PRO 36 19.820 -17.244 2.487
272 HG3 PRO 36 HG1 PRO 36 19.364 -15.658 3.143
273 HD2 PRO 36 HD2 PRO 36 21.074 -16.270 0.714
274 HD3 PRO 36 HD1 PRO 36 19.750 -15.092 0.901
275 H ILE 37 HN ILE 37 23.521 -16.031 1.288
276 HA ILE 37 HA ILE 37 25.889 -16.595 2.816
277 HB ILE 37 HB ILE 37 25.348 -17.027 -0.161
278 HG12 ILE 37 HG12 ILE 37 24.981 -19.014 2.153
279 HG13 ILE 37 HG11 ILE 37 23.666 -18.182 1.335
280 HG21 ILE 37 HG21 ILE 37 27.735 -17.114 0.389
281 HG22 ILE 37 HG22 ILE 37 27.154 -18.725 -0.007
282 HG23 ILE 37 HG23 ILE 37 27.435 -18.282 1.679
283 HD11 ILE 37 HD11 ILE 37 24.218 -19.333 -0.751
284 HD12 ILE 37 HD12 ILE 37 23.898 -20.466 0.562
285 HD13 ILE 37 HD13 ILE 37 25.557 -20.153 0.060
286 H CYS 38 HN CYS 38 25.396 -14.621 -0.196
287 HA CYS 38 HA CYS 38 27.728 -13.027 0.604
288 HB2 CYS 38 HB2 CYS 38 28.420 -12.932 -1.747
289 HB3 CYS 38 HB1 CYS 38 28.429 -14.550 -1.095
290 H GLY 39 HN GLY 39 24.493 -12.598 0.215
291 HA2 GLY 39 HA2 GLY 39 23.273 -10.778 0.580
292 HA3 GLY 39 HA1 GLY 39 24.760 -9.929 0.968
293 H GLU 40 HN GLU 40 23.892 -11.173 -2.245
294 HA GLU 40 HA GLU 40 23.723 -8.690 -3.555
295 HB2 GLU 40 HB2 GLU 40 22.538 -11.394 -4.332
296 HB3 GLU 40 HB1 GLU 40 22.590 -9.993 -5.391
297 HG2 GLU 40 HG2 GLU 40 24.336 -11.564 -5.953
298 HG3 GLU 40 HG1 GLU 40 25.043 -10.061 -5.386
299 H ARG 41 HN ARG 41 22.175 -7.184 -3.393
300 HA ARG 41 HA ARG 41 19.410 -7.779 -2.604
301 HB2 ARG 41 HB2 ARG 41 20.791 -5.181 -3.419
302 HB3 ARG 41 HB1 ARG 41 19.082 -5.284 -3.015
303 HG2 ARG 41 HG2 ARG 41 20.220 -4.402 -1.108
304 HG3 ARG 41 HG1 ARG 41 19.748 -6.054 -0.718
305 HD2 ARG 41 HD2 ARG 41 22.012 -5.528 0.100
306 HD3 ARG 41 HD1 ARG 41 22.040 -6.823 -1.100
307 HE ARG 41 HE ARG 41 22.626 -4.897 -2.717
308 HH11 ARG 41 HH11 ARG 41 23.650 -4.887 0.640
309 HH12 ARG 41 HH12 ARG 41 25.172 -4.135 0.299
310 HH21 ARG 41 HH21 ARG 41 24.615 -3.915 -3.147
311 HH22 ARG 41 HH22 ARG 41 25.719 -3.580 -1.850
312 H PHE 42 HN PHE 42 17.682 -7.786 -4.057
313 HA PHE 42 HA PHE 42 18.326 -7.662 -6.953
314 HB2 PHE 42 HB2 PHE 42 16.635 -9.594 -5.333
315 HB3 PHE 42 HB1 PHE 42 16.378 -9.412 -7.063
316 HD1 PHE 42 HD2 PHE 42 18.147 -10.035 -8.687
317 HD2 PHE 42 HD1 PHE 42 18.649 -10.738 -4.501
318 HE1 PHE 42 HE2 PHE 42 20.026 -11.537 -9.167
319 HE2 PHE 42 HE1 PHE 42 20.533 -12.235 -4.992
320 HZ PHE 42 HZ PHE 42 21.226 -12.639 -7.322
321 HA PRO 43 HA PRO 43 14.748 -4.925 -7.722
322 HB2 PRO 43 HB2 PRO 43 13.142 -6.301 -9.545
323 HB3 PRO 43 HB1 PRO 43 14.585 -5.375 -9.985
324 HG2 PRO 43 HG2 PRO 43 14.323 -8.344 -9.460
325 HG3 PRO 43 HG1 PRO 43 15.161 -7.518 -10.796
326 HD2 PRO 43 HD2 PRO 43 16.560 -8.456 -8.729
327 HD3 PRO 43 HD1 PRO 43 16.973 -6.868 -9.418
328 H SER 44 HN SER 44 13.847 -8.339 -7.159
329 HA SER 44 HA SER 44 11.902 -7.626 -5.132
330 HB2 SER 44 HB2 SER 44 10.971 -8.993 -7.702
331 HB3 SER 44 HB1 SER 44 10.001 -8.874 -6.235
332 HG SER 44 HG SER 44 10.709 -6.445 -6.687
333 H LEU 45 HN LEU 45 10.725 -9.784 -4.427
334 HA LEU 45 HA LEU 45 12.830 -11.681 -3.770
335 HB2 LEU 45 HB2 LEU 45 11.284 -10.777 -2.026
336 HB3 LEU 45 HB1 LEU 45 9.934 -11.553 -2.841
337 HG LEU 45 HG LEU 45 10.985 -13.790 -2.370
338 HD11 LEU 45 HD11 LEU 45 13.327 -13.116 -2.212
339 HD12 LEU 45 HD12 LEU 45 12.829 -13.950 -0.742
340 HD13 LEU 45 HD13 LEU 45 12.984 -12.192 -0.746
341 HD21 LEU 45 HD21 LEU 45 10.430 -13.857 0.032
342 HD22 LEU 45 HD22 LEU 45 9.244 -12.916 -0.872
343 HD23 LEU 45 HD23 LEU 45 10.468 -12.088 0.091
344 H LEU 46 HN LEU 46 12.959 -12.390 -6.040
345 HA LEU 46 HA LEU 46 11.510 -14.889 -6.450
346 HB2 LEU 46 HB2 LEU 46 10.092 -13.187 -7.595
347 HB3 LEU 46 HB1 LEU 46 11.476 -12.642 -8.518
348 HG LEU 46 HG LEU 46 11.581 -14.884 -9.635
349 HD11 LEU 46 HD11 LEU 46 10.511 -16.264 -7.921
350 HD12 LEU 46 HD12 LEU 46 9.687 -16.440 -9.466
351 HD13 LEU 46 HD13 LEU 46 8.969 -15.447 -8.198
352 HD21 LEU 46 HD21 LEU 46 10.425 -13.012 -10.739
353 HD22 LEU 46 HD22 LEU 46 8.917 -13.460 -9.943
354 HD23 LEU 46 HD23 LEU 46 9.650 -14.549 -11.120
355 H THR 47 HN THR 47 13.573 -12.526 -8.048
356 HA THR 47 HA THR 47 15.428 -14.342 -9.207
357 HB THR 47 HB THR 47 16.892 -12.233 -9.433
358 HG1 THR 47 HG1 THR 47 16.186 -10.412 -8.562
359 HG21 THR 47 HG21 THR 47 14.035 -12.053 -10.469
360 HG22 THR 47 HG22 THR 47 15.350 -12.935 -11.245
361 HG23 THR 47 HG23 THR 47 15.424 -11.177 -11.120
362 H LEU 48 HN LEU 48 15.241 -12.873 -6.027
363 HA LEU 48 HA LEU 48 17.817 -13.553 -5.067
364 HB2 LEU 48 HB2 LEU 48 16.171 -11.937 -4.029
365 HB3 LEU 48 HB1 LEU 48 15.232 -13.299 -3.475
366 HG LEU 48 HG LEU 48 16.765 -12.113 -1.753
367 HD11 LEU 48 HD11 LEU 48 15.720 -14.254 -1.229
368 HD12 LEU 48 HD12 LEU 48 17.335 -14.144 -0.536
369 HD13 LEU 48 HD13 LEU 48 17.063 -15.117 -1.982
370 HD21 LEU 48 HD21 LEU 48 18.775 -11.900 -3.121
371 HD22 LEU 48 HD22 LEU 48 18.937 -13.655 -3.208
372 HD23 LEU 48 HD23 LEU 48 19.119 -12.823 -1.665
373 H THR 49 HN THR 49 14.751 -15.301 -5.149
374 HA THR 49 HA THR 49 15.487 -17.623 -3.709
375 HB THR 49 HB THR 49 13.353 -17.320 -5.883
376 HG1 THR 49 HG1 THR 49 11.994 -16.765 -4.135
377 HG21 THR 49 HG21 THR 49 12.151 -19.106 -4.688
378 HG22 THR 49 HG22 THR 49 13.471 -19.247 -3.525
379 HG23 THR 49 HG23 THR 49 13.731 -19.686 -5.214
380 H GLU 50 HN GLU 50 15.434 -16.838 -7.142
381 HA GLU 50 HA GLU 50 16.409 -19.244 -8.224
382 HB2 GLU 50 HB2 GLU 50 16.692 -16.408 -9.292
383 HB3 GLU 50 HB1 GLU 50 17.023 -17.868 -10.224
384 HG2 GLU 50 HG2 GLU 50 14.641 -18.567 -9.954
385 HG3 GLU 50 HG1 GLU 50 14.331 -17.074 -9.071
386 H HIS 51 HN HIS 51 18.126 -16.340 -7.098
387 HA HIS 51 HA HIS 51 20.749 -17.097 -7.799
388 HB2 HIS 51 HB2 HIS 51 20.294 -14.796 -7.233
389 HB3 HIS 51 HB1 HIS 51 19.707 -15.234 -5.634
390 HD1 HIS 51 HD1 HIS 51 23.015 -15.405 -7.557
391 HD2 HIS 51 HD2 HIS 51 21.550 -14.873 -3.711
392 HE1 HIS 51 HE1 HIS 51 25.031 -15.028 -6.077
393 H LYS 52 HN LYS 52 18.762 -17.849 -5.019
394 HA LYS 52 HA LYS 52 20.786 -18.818 -3.290
395 HB2 LYS 52 HB2 LYS 52 18.532 -18.062 -2.564
396 HB3 LYS 52 HB1 LYS 52 17.807 -19.469 -3.328
397 HG2 LYS 52 HG2 LYS 52 19.011 -20.953 -1.764
398 HG3 LYS 52 HG1 LYS 52 19.771 -19.552 -1.005
399 HD2 LYS 52 HD2 LYS 52 16.785 -20.163 -1.041
400 HD3 LYS 52 HD1 LYS 52 17.869 -20.372 0.334
401 HE2 LYS 52 HE2 LYS 52 18.279 -17.949 0.404
402 HE3 LYS 52 HE1 LYS 52 17.220 -17.715 -0.991
403 HZ1 LYS 52 HZ1 LYS 52 16.389 -18.825 1.636
404 HZ2 LYS 52 HZ2 LYS 52 15.380 -18.561 0.312
405 HZ3 LYS 52 HZ3 LYS 52 16.093 -17.250 1.102
406 H VAL 53 HN VAL 53 18.722 -20.470 -5.730
407 HA VAL 53 HA VAL 53 19.566 -23.117 -4.895
408 HB VAL 53 HB VAL 53 18.078 -23.946 -6.668
409 HG11 VAL 53 HG11 VAL 53 16.776 -21.775 -4.986
410 HG12 VAL 53 HG12 VAL 53 17.089 -23.437 -4.486
411 HG13 VAL 53 HG13 VAL 53 15.925 -23.111 -5.770
412 HG21 VAL 53 HG21 VAL 53 17.556 -21.039 -7.398
413 HG22 VAL 53 HG22 VAL 53 16.691 -22.434 -8.053
414 HG23 VAL 53 HG23 VAL 53 18.408 -22.220 -8.399
415 H THR 54 HN THR 54 20.264 -20.897 -7.565
416 HA THR 54 HA THR 54 22.239 -22.753 -8.739
417 HB THR 54 HB THR 54 22.384 -21.058 -10.600
418 HG1 THR 54 HG1 THR 54 21.707 -19.243 -9.266
419 HG21 THR 54 HG21 THR 54 20.136 -21.477 -11.563
420 HG22 THR 54 HG22 THR 54 19.551 -22.008 -9.984
421 HG23 THR 54 HG23 THR 54 20.796 -22.937 -10.823
422 H HIS 55 HN HIS 55 23.103 -21.940 -6.235
423 HA HIS 55 HA HIS 55 24.163 -19.255 -6.215
424 HB2 HIS 55 HB2 HIS 55 23.139 -20.551 -4.197
425 HB3 HIS 55 HB1 HIS 55 24.695 -21.374 -4.088
426 HD1 HIS 55 HD1 HIS 55 26.802 -19.748 -3.601
427 HD2 HIS 55 HD2 HIS 55 23.045 -18.063 -3.204
428 HE1 HIS 55 HE1 HIS 55 27.152 -17.509 -2.491
Start of MODEL 5
1 H1 MET 1 HT1 MET 1 -11.436 22.570 8.394
2 H2 MET 1 HT2 MET 1 -10.453 21.582 9.346
3 H3 MET 1 HT3 MET 1 -12.111 21.290 9.274
4 HA MET 1 HA MET 1 -10.854 19.705 7.958
5 HB2 MET 1 HB2 MET 1 -12.218 19.833 5.939
6 HB3 MET 1 HB1 MET 1 -13.189 20.330 7.319
7 HG2 MET 1 HG2 MET 1 -11.920 22.192 5.290
8 HG3 MET 1 HG1 MET 1 -13.623 21.735 5.357
9 HE1 MET 1 HE1 MET 1 -12.670 24.780 5.259
10 HE2 MET 1 HE2 MET 1 -13.709 25.495 6.491
11 HE3 MET 1 HE3 MET 1 -14.368 24.305 5.370
12 H GLY 2 HN GLY 2 -10.080 19.625 5.470
13 HA2 GLY 2 HA2 GLY 2 -8.416 20.061 3.960
14 HA3 GLY 2 HA1 GLY 2 -8.411 21.732 4.511
15 H SER 3 HN SER 3 -7.743 18.696 6.222
16 HA SER 3 HA SER 3 -5.078 19.707 7.000
17 HB2 SER 3 HB2 SER 3 -6.626 19.404 8.919
18 HB3 SER 3 HB1 SER 3 -6.920 17.727 8.444
19 HG SER 3 HG SER 3 -4.816 17.243 8.941
20 H HIS 4 HN HIS 4 -4.145 18.922 5.183
21 HA HIS 4 HA HIS 4 -3.798 15.979 5.043
22 HB2 HIS 4 HB2 HIS 4 -3.242 18.139 2.983
23 HB3 HIS 4 HB1 HIS 4 -2.539 16.535 2.832
24 HD1 HIS 4 HD1 HIS 4 -4.983 18.148 1.172
25 HD2 HIS 4 HD2 HIS 4 -5.149 14.696 3.475
26 HE1 HIS 4 HE1 HIS 4 -6.951 16.864 0.314
27 HE2 HIS 4 HE2 HIS 4 -7.148 14.875 1.847
28 H LYS 5 HN LYS 5 -2.631 16.481 7.221
29 HA LYS 5 HA LYS 5 0.240 16.480 6.561
30 HB2 LYS 5 HB2 LYS 5 0.708 16.675 8.860
31 HB3 LYS 5 HB1 LYS 5 -0.671 17.728 8.636
32 HG2 LYS 5 HG2 LYS 5 -2.128 15.855 9.521
33 HG3 LYS 5 HG1 LYS 5 -0.647 14.966 9.896
34 HD2 LYS 5 HD2 LYS 5 -1.350 17.702 11.055
35 HD3 LYS 5 HD1 LYS 5 -1.688 16.173 11.863
36 HE2 LYS 5 HE2 LYS 5 0.310 16.971 12.855
37 HE3 LYS 5 HE1 LYS 5 0.843 15.719 11.736
38 HZ1 LYS 5 HZ1 LYS 5 2.245 17.681 11.644
39 HZ2 LYS 5 HZ2 LYS 5 0.921 18.649 11.227
40 HZ3 LYS 5 HZ3 LYS 5 1.463 17.449 10.171
41 H CYS 6 HN CYS 6 1.397 14.558 6.747
42 HA CYS 6 HA CYS 6 -0.104 12.114 6.419
43 HB2 CYS 6 HB2 CYS 6 1.865 12.555 5.016
44 HB3 CYS 6 HB1 CYS 6 2.883 12.683 6.441
45 H ASN 7 HN ASN 7 -0.915 11.362 8.295
46 HA ASN 7 HA ASN 7 -0.354 11.749 10.883
47 HB2 ASN 7 HB2 ASN 7 -2.282 10.467 9.850
48 HB3 ASN 7 HB1 ASN 7 -1.243 9.051 9.768
49 HD21 ASN 7 HD21 ASN 7 -3.754 9.362 11.159
50 HD22 ASN 7 HD22 ASN 7 -3.444 9.055 12.830
51 H VAL 8 HN VAL 8 1.034 9.011 9.048
52 HA VAL 8 HA VAL 8 2.349 7.700 11.160
53 HB VAL 8 HB VAL 8 3.209 7.673 8.218
54 HG11 VAL 8 HG11 VAL 8 4.874 6.606 9.670
55 HG12 VAL 8 HG12 VAL 8 4.054 5.378 8.707
56 HG13 VAL 8 HG13 VAL 8 3.633 5.594 10.407
57 HG21 VAL 8 HG21 VAL 8 1.129 5.913 9.585
58 HG22 VAL 8 HG22 VAL 8 1.695 5.745 7.918
59 HG23 VAL 8 HG23 VAL 8 0.809 7.190 8.410
60 H CYS 9 HN CYS 9 3.561 10.066 8.851
61 HA CYS 9 HA CYS 9 6.263 10.169 9.921
62 HB2 CYS 9 HB2 CYS 9 4.826 11.855 7.845
63 HB3 CYS 9 HB1 CYS 9 6.542 11.973 8.210
64 H SER 10 HN SER 10 3.361 11.975 10.190
65 HA SER 10 HA SER 10 2.495 13.688 11.294
66 HB2 SER 10 HB2 SER 10 3.480 14.683 13.266
67 HB3 SER 10 HB1 SER 10 3.808 12.954 13.306
68 HG SER 10 HG SER 10 5.890 13.333 13.062
69 H ARG 11 HN ARG 11 4.739 13.974 8.984
70 HA ARG 11 HA ARG 11 5.313 16.808 9.078
71 HB2 ARG 11 HB2 ARG 11 7.012 15.287 8.260
72 HB3 ARG 11 HB1 ARG 11 5.898 14.551 7.120
73 HG2 ARG 11 HG2 ARG 11 7.435 15.937 5.918
74 HG3 ARG 11 HG1 ARG 11 5.841 16.672 5.850
75 HD2 ARG 11 HD2 ARG 11 6.492 18.275 7.612
76 HD3 ARG 11 HD1 ARG 11 8.093 17.533 7.702
77 HE ARG 11 HE ARG 11 7.674 18.279 5.054
78 HH11 ARG 11 HH11 ARG 11 7.971 19.946 8.147
79 HH12 ARG 11 HH12 ARG 11 8.695 21.355 7.440
80 HH21 ARG 11 HH21 ARG 11 8.604 20.129 4.163
81 HH22 ARG 11 HH22 ARG 11 9.050 21.461 5.182
82 H THR 12 HN THR 12 4.591 18.309 7.454
83 HA THR 12 HA THR 12 1.769 17.918 6.709
84 HB THR 12 HB THR 12 2.444 19.956 8.017
85 HG1 THR 12 HG1 THR 12 1.472 21.099 5.700
86 HG21 THR 12 HG21 THR 12 4.616 20.468 6.914
87 HG22 THR 12 HG22 THR 12 3.530 21.854 6.884
88 HG23 THR 12 HG23 THR 12 3.757 20.887 5.429
89 H PHE 13 HN PHE 13 0.933 18.563 4.656
90 HA PHE 13 HA PHE 13 2.557 18.211 2.305
91 HB2 PHE 13 HB2 PHE 13 0.532 18.510 1.050
92 HB3 PHE 13 HB1 PHE 13 0.069 17.612 2.485
93 HD1 PHE 13 HD2 PHE 13 -0.263 19.836 4.523
94 HD2 PHE 13 HD1 PHE 13 -1.409 19.683 0.417
95 HE1 PHE 13 HE2 PHE 13 -2.017 21.489 4.945
96 HE2 PHE 13 HE1 PHE 13 -3.158 21.335 0.842
97 HZ PHE 13 HZ PHE 13 -3.475 22.246 3.112
98 H PHE 14 HN PHE 14 2.145 19.886 0.492
99 HA PHE 14 HA PHE 14 1.967 22.690 1.327
100 HB2 PHE 14 HB2 PHE 14 3.986 21.649 -0.731
101 HB3 PHE 14 HB1 PHE 14 3.686 23.348 -0.363
102 HD1 PHE 14 HD2 PHE 14 4.308 24.255 1.907
103 HD2 PHE 14 HD1 PHE 14 5.447 20.319 0.669
104 HE1 PHE 14 HE2 PHE 14 5.965 24.159 3.715
105 HE2 PHE 14 HE1 PHE 14 7.090 20.228 2.495
106 HZ PHE 14 HZ PHE 14 7.355 22.149 4.020
107 H SER 15 HN SER 15 1.985 20.272 -1.230
108 HA SER 15 HA SER 15 -0.424 21.444 -2.490
109 HB2 SER 15 HB2 SER 15 1.571 21.129 -3.979
110 HB3 SER 15 HB1 SER 15 1.548 19.406 -3.607
111 HG SER 15 HG SER 15 0.457 20.097 -5.596
112 H GLU 16 HN GLU 16 -2.264 20.114 -2.678
113 HA GLU 16 HA GLU 16 -2.635 18.324 -0.464
114 HB2 GLU 16 HB2 GLU 16 -4.990 18.120 -1.270
115 HB3 GLU 16 HB1 GLU 16 -4.459 19.788 -1.083
116 HG2 GLU 16 HG2 GLU 16 -4.196 20.050 -3.475
117 HG3 GLU 16 HG1 GLU 16 -4.511 18.333 -3.745
118 H ASN 17 HN ASN 17 -2.272 17.843 -3.947
119 HA ASN 17 HA ASN 17 -2.787 14.993 -3.915
120 HB2 ASN 17 HB2 ASN 17 -1.673 16.933 -5.981
121 HB3 ASN 17 HB1 ASN 17 -1.690 15.197 -6.269
122 HD21 ASN 17 HD21 ASN 17 -3.767 17.996 -5.690
123 HD22 ASN 17 HD22 ASN 17 -5.174 17.313 -6.415
124 H GLY 18 HN GLY 18 -0.071 17.106 -3.393
125 HA2 GLY 18 HA2 GLY 18 2.101 15.362 -3.800
126 HA3 GLY 18 HA1 GLY 18 2.104 16.784 -2.775
127 H LEU 19 HN LEU 19 0.210 16.053 -0.817
128 HA LEU 19 HA LEU 19 1.570 14.373 0.955
129 HB2 LEU 19 HB2 LEU 19 -0.373 16.085 1.337
130 HB3 LEU 19 HB1 LEU 19 -1.449 14.745 1.023
131 HG LEU 19 HG LEU 19 -1.086 15.246 3.461
132 HD11 LEU 19 HD11 LEU 19 -0.829 12.978 4.280
133 HD12 LEU 19 HD12 LEU 19 -0.187 12.457 2.717
134 HD13 LEU 19 HD13 LEU 19 -1.858 13.013 2.849
135 HD21 LEU 19 HD21 LEU 19 1.251 15.934 3.387
136 HD22 LEU 19 HD22 LEU 19 1.749 14.285 3.007
137 HD23 LEU 19 HD23 LEU 19 1.013 14.646 4.570
138 H ARG 20 HN ARG 20 -1.110 13.710 -1.248
139 HA ARG 20 HA ARG 20 -1.643 11.021 -0.456
140 HB2 ARG 20 HB2 ARG 20 -2.395 12.431 -3.037
141 HB3 ARG 20 HB1 ARG 20 -3.083 10.924 -2.433
142 HG2 ARG 20 HG2 ARG 20 -3.765 12.292 -0.335
143 HG3 ARG 20 HG1 ARG 20 -3.419 13.714 -1.319
144 HD2 ARG 20 HD2 ARG 20 -5.403 11.536 -1.960
145 HD3 ARG 20 HD1 ARG 20 -5.796 13.154 -1.375
146 HE ARG 20 HE ARG 20 -4.270 13.199 -3.807
147 HH11 ARG 20 HH11 ARG 20 -7.555 12.881 -2.597
148 HH12 ARG 20 HH12 ARG 20 -8.270 13.368 -4.101
149 HH21 ARG 20 HH21 ARG 20 -5.240 13.789 -5.755
150 HH22 ARG 20 HH22 ARG 20 -6.969 13.885 -5.865
151 H GLU 21 HN GLU 21 0.472 12.464 -2.847
152 HA GLU 21 HA GLU 21 1.144 10.115 -4.306
153 HB2 GLU 21 HB2 GLU 21 1.381 12.412 -5.209
154 HB3 GLU 21 HB1 GLU 21 2.607 12.768 -3.998
155 HG2 GLU 21 HG2 GLU 21 4.112 11.111 -5.002
156 HG3 GLU 21 HG1 GLU 21 2.882 10.684 -6.191
157 H HIS 22 HN HIS 22 2.687 11.992 -1.763
158 HA HIS 22 HA HIS 22 4.902 10.364 -1.196
159 HB2 HIS 22 HB2 HIS 22 5.010 12.567 -0.334
160 HB3 HIS 22 HB1 HIS 22 3.375 12.510 0.315
161 HD1 HIS 22 HD1 HIS 22 6.878 11.282 1.108
162 HD2 HIS 22 HD2 HIS 22 3.151 11.705 2.880
163 HE1 HIS 22 HE1 HIS 22 7.153 10.576 3.518
164 H LEU 23 HN LEU 23 1.544 10.000 -0.341
165 HA LEU 23 HA LEU 23 1.693 8.596 2.071
166 HB2 LEU 23 HB2 LEU 23 -0.310 9.676 0.827
167 HB3 LEU 23 HB1 LEU 23 -0.460 8.131 0.004
168 HG LEU 23 HG LEU 23 -0.761 7.026 2.231
169 HD11 LEU 23 HD11 LEU 23 0.426 8.583 3.672
170 HD12 LEU 23 HD12 LEU 23 -1.238 8.426 4.230
171 HD13 LEU 23 HD13 LEU 23 -0.743 9.857 3.321
172 HD21 LEU 23 HD21 LEU 23 -2.742 9.271 1.666
173 HD22 LEU 23 HD22 LEU 23 -3.073 7.815 2.611
174 HD23 LEU 23 HD23 LEU 23 -2.736 7.682 0.888
175 H GLN 24 HN GLN 24 2.508 7.458 -1.090
176 HA GLN 24 HA GLN 24 1.910 4.666 -0.747
177 HB2 GLN 24 HB2 GLN 24 3.718 6.013 -2.806
178 HB3 GLN 24 HB1 GLN 24 2.984 4.418 -2.925
179 HG2 GLN 24 HG2 GLN 24 0.727 5.508 -2.987
180 HG3 GLN 24 HG1 GLN 24 1.525 7.079 -2.969
181 HE21 GLN 24 HE21 GLN 24 0.685 7.684 -4.980
182 HE22 GLN 24 HE22 GLN 24 1.198 6.967 -6.465
183 H THR 25 HN THR 25 4.545 6.699 0.188
184 HA THR 25 HA THR 25 6.793 5.124 -0.352
185 HB THR 25 HB THR 25 7.989 6.637 1.248
186 HG1 THR 25 HG1 THR 25 5.951 8.341 1.724
187 HG21 THR 25 HG21 THR 25 7.567 8.751 0.052
188 HG22 THR 25 HG22 THR 25 6.072 8.090 -0.607
189 HG23 THR 25 HG23 THR 25 7.626 7.397 -1.081
190 H HIS 26 HN HIS 26 4.546 4.880 2.293
191 HA HIS 26 HA HIS 26 6.277 2.874 3.642
192 HB2 HIS 26 HB2 HIS 26 4.644 3.684 5.698
193 HB3 HIS 26 HB1 HIS 26 6.242 4.346 5.403
194 HD1 HIS 26 HD1 HIS 26 2.628 5.167 4.383
195 HD2 HIS 26 HD2 HIS 26 6.263 7.011 5.213
196 HE1 HIS 26 HE1 HIS 26 2.233 7.658 4.189
197 H ARG 27 HN ARG 27 3.533 3.263 1.849
198 HA ARG 27 HA ARG 27 1.926 1.250 3.250
199 HB2 ARG 27 HB2 ARG 27 0.850 3.289 2.257
200 HB3 ARG 27 HB1 ARG 27 1.317 2.724 0.657
201 HG2 ARG 27 HG2 ARG 27 -0.108 0.743 0.890
202 HG3 ARG 27 HG1 ARG 27 -0.492 1.190 2.553
203 HD2 ARG 27 HD2 ARG 27 -1.227 2.809 0.098
204 HD3 ARG 27 HD1 ARG 27 -2.319 1.734 0.970
205 HE ARG 27 HE ARG 27 -1.216 3.662 2.740
206 HH11 ARG 27 HH11 ARG 27 -3.580 3.411 0.146
207 HH12 ARG 27 HH12 ARG 27 -4.558 4.705 0.757
208 HH21 ARG 27 HH21 ARG 27 -2.543 5.314 3.545
209 HH22 ARG 27 HH22 ARG 27 -3.978 5.773 2.682
210 H GLY 28 HN GLY 28 4.072 1.538 0.518
211 HA2 GLY 28 HA2 GLY 28 5.192 -0.636 -0.032
212 HA3 GLY 28 HA1 GLY 28 3.574 -1.285 -0.289
213 HA PRO 29 HA PRO 29 5.094 0.671 -4.301
214 HB2 PRO 29 HB2 PRO 29 5.924 -1.471 -5.726
215 HB3 PRO 29 HB1 PRO 29 6.972 -0.701 -4.527
216 HG2 PRO 29 HG2 PRO 29 5.342 -3.217 -4.272
217 HG3 PRO 29 HG1 PRO 29 7.007 -2.902 -3.737
218 HD2 PRO 29 HD2 PRO 29 4.779 -2.773 -2.072
219 HD3 PRO 29 HD1 PRO 29 6.306 -1.917 -1.758
220 H ALA 30 HN ALA 30 3.724 0.953 -5.994
221 HA ALA 30 HA ALA 30 1.187 -0.486 -6.121
222 HB1 ALA 30 HB1 ALA 30 0.530 1.252 -7.737
223 HB2 ALA 30 HB2 ALA 30 2.183 1.878 -7.757
224 HB3 ALA 30 HB3 ALA 30 1.221 1.978 -6.284
225 H LYS 31 HN LYS 31 4.238 -0.634 -7.619
226 HA LYS 31 HA LYS 31 3.250 -2.230 -9.927
227 HB2 LYS 31 HB2 LYS 31 5.921 -0.778 -9.688
228 HB3 LYS 31 HB1 LYS 31 5.227 -1.494 -11.139
229 HG2 LYS 31 HG2 LYS 31 3.538 0.233 -11.278
230 HG3 LYS 31 HG1 LYS 31 3.985 0.872 -9.693
231 HD2 LYS 31 HD2 LYS 31 5.684 0.959 -12.223
232 HD3 LYS 31 HD1 LYS 31 4.880 2.322 -11.446
233 HE2 LYS 31 HE2 LYS 31 6.312 2.045 -9.453
234 HE3 LYS 31 HE1 LYS 31 7.138 0.688 -10.227
235 HZ1 LYS 31 HZ1 LYS 31 7.889 2.204 -11.962
236 HZ2 LYS 31 HZ2 LYS 31 8.401 2.726 -10.446
237 HZ3 LYS 31 HZ3 LYS 31 7.104 3.492 -11.202
238 H HIS 32 HN HIS 32 3.496 -4.340 -9.391
239 HA HIS 32 HA HIS 32 5.893 -5.243 -7.863
240 HB2 HIS 32 HB2 HIS 32 3.887 -5.062 -6.385
241 HB3 HIS 32 HB1 HIS 32 2.988 -6.110 -7.468
242 HD1 HIS 32 HD1 HIS 32 2.985 -8.525 -6.862
243 HD2 HIS 32 HD2 HIS 32 6.148 -6.491 -5.089
244 HE1 HIS 32 HE1 HIS 32 4.113 -10.193 -5.368
245 HE2 HIS 32 HE2 HIS 32 5.923 -8.899 -4.198
246 H TYR 33 HN TYR 33 5.263 -5.251 -10.789
247 HA TYR 33 HA TYR 33 4.679 -8.084 -11.375
248 HB2 TYR 33 HB2 TYR 33 4.645 -5.661 -13.229
249 HB3 TYR 33 HB1 TYR 33 4.157 -7.304 -13.664
250 HD1 TYR 33 HD2 TYR 33 2.277 -8.349 -12.070
251 HD2 TYR 33 HD1 TYR 33 2.930 -4.155 -12.574
252 HE1 TYR 33 HE2 TYR 33 -0.010 -7.904 -11.304
253 HE2 TYR 33 HE1 TYR 33 0.646 -3.711 -11.800
254 HH TYR 33 HH TYR 33 -1.529 -4.911 -11.670
255 H MET 34 HN MET 34 6.622 -8.987 -10.991
256 HA MET 34 HA MET 34 9.076 -8.002 -12.268
257 HB2 MET 34 HB2 MET 34 9.108 -8.492 -9.815
258 HB3 MET 34 HB1 MET 34 8.654 -10.156 -10.143
259 HG2 MET 34 HG2 MET 34 10.792 -10.505 -11.338
260 HG3 MET 34 HG1 MET 34 11.236 -8.830 -11.016
261 HE1 MET 34 HE1 MET 34 10.643 -12.392 -9.475
262 HE2 MET 34 HE2 MET 34 9.445 -11.437 -8.604
263 HE3 MET 34 HE3 MET 34 10.852 -12.081 -7.753
264 H CYS 35 HN CYS 35 10.177 -9.245 -13.755
265 HA CYS 35 HA CYS 35 8.813 -11.026 -15.448
266 HB2 CYS 35 HB2 CYS 35 10.624 -9.830 -16.405
267 HB3 CYS 35 HB1 CYS 35 11.703 -10.269 -15.134
268 HA PRO 36 HA PRO 36 9.260 -15.000 -13.256
269 HB2 PRO 36 HB2 PRO 36 9.068 -16.070 -16.077
270 HB3 PRO 36 HB1 PRO 36 8.165 -16.546 -14.624
271 HG2 PRO 36 HG2 PRO 36 6.982 -15.037 -16.472
272 HG3 PRO 36 HG1 PRO 36 6.739 -14.683 -14.750
273 HD2 PRO 36 HD2 PRO 36 8.530 -13.276 -16.732
274 HD3 PRO 36 HD1 PRO 36 7.476 -12.586 -15.471
275 H ILE 37 HN ILE 37 11.098 -14.398 -16.289
276 HA ILE 37 HA ILE 37 12.935 -16.570 -15.712
277 HB ILE 37 HB ILE 37 12.837 -14.692 -18.116
278 HG12 ILE 37 HG12 ILE 37 11.537 -17.448 -17.808
279 HG13 ILE 37 HG11 ILE 37 10.658 -15.925 -17.745
280 HG21 ILE 37 HG21 ILE 37 14.139 -17.427 -17.780
281 HG22 ILE 37 HG22 ILE 37 14.975 -15.883 -17.908
282 HG23 ILE 37 HG23 ILE 37 14.068 -16.499 -19.284
283 HD11 ILE 37 HD11 ILE 37 12.145 -17.028 -20.118
284 HD12 ILE 37 HD12 ILE 37 11.290 -15.483 -20.077
285 HD13 ILE 37 HD13 ILE 37 10.400 -16.996 -19.891
286 H CYS 38 HN CYS 38 13.419 -13.046 -16.531
287 HA CYS 38 HA CYS 38 15.934 -13.145 -15.017
288 HB2 CYS 38 HB2 CYS 38 16.836 -11.462 -16.626
289 HB3 CYS 38 HB1 CYS 38 16.540 -13.040 -17.279
290 H GLY 39 HN GLY 39 12.974 -11.861 -14.606
291 HA2 GLY 39 HA2 GLY 39 12.204 -10.651 -12.917
292 HA3 GLY 39 HA1 GLY 39 13.813 -10.716 -12.213
293 H GLU 40 HN GLU 40 13.116 -9.045 -15.241
294 HA GLU 40 HA GLU 40 13.505 -6.408 -14.360
295 HB2 GLU 40 HB2 GLU 40 11.968 -7.441 -16.791
296 HB3 GLU 40 HB1 GLU 40 12.391 -5.761 -16.518
297 HG2 GLU 40 HG2 GLU 40 13.879 -6.748 -18.131
298 HG3 GLU 40 HG1 GLU 40 14.782 -6.311 -16.691
299 H ARG 41 HN ARG 41 12.162 -5.136 -13.190
300 HA ARG 41 HA ARG 41 9.352 -5.849 -12.801
301 HB2 ARG 41 HB2 ARG 41 9.268 -4.237 -11.021
302 HB3 ARG 41 HB1 ARG 41 10.738 -5.171 -10.834
303 HG2 ARG 41 HG2 ARG 41 10.649 -2.380 -12.002
304 HG3 ARG 41 HG1 ARG 41 10.973 -2.737 -10.310
305 HD2 ARG 41 HD2 ARG 41 12.670 -3.552 -12.685
306 HD3 ARG 41 HD1 ARG 41 13.065 -2.313 -11.492
307 HE ARG 41 HE ARG 41 12.888 -4.350 -9.862
308 HH11 ARG 41 HH11 ARG 41 14.333 -4.396 -13.073
309 HH12 ARG 41 HH12 ARG 41 15.440 -5.671 -12.690
310 HH21 ARG 41 HH21 ARG 41 14.369 -6.019 -9.376
311 HH22 ARG 41 HH22 ARG 41 15.454 -6.595 -10.599
312 H PHE 42 HN PHE 42 7.683 -4.833 -13.725
313 HA PHE 42 HA PHE 42 8.135 -2.432 -15.400
314 HB2 PHE 42 HB2 PHE 42 6.633 -4.992 -16.041
315 HB3 PHE 42 HB1 PHE 42 6.231 -3.491 -16.855
316 HD1 PHE 42 HD1 PHE 42 8.859 -6.063 -16.463
317 HD2 PHE 42 HD2 PHE 42 7.717 -2.489 -18.506
318 HE1 PHE 42 HE1 PHE 42 10.665 -6.402 -18.084
319 HE2 PHE 42 HE2 PHE 42 9.531 -2.839 -20.127
320 HZ PHE 42 HZ PHE 42 11.006 -4.800 -19.919
321 HA PRO 43 HA PRO 43 4.949 -0.360 -13.239
322 HB2 PRO 43 HB2 PRO 43 3.573 1.039 -15.197
323 HB3 PRO 43 HB1 PRO 43 5.179 1.485 -14.606
324 HG2 PRO 43 HG2 PRO 43 4.442 -0.121 -17.051
325 HG3 PRO 43 HG1 PRO 43 5.605 1.218 -16.906
326 HD2 PRO 43 HD2 PRO 43 6.438 -1.335 -16.933
327 HD3 PRO 43 HD1 PRO 43 7.222 -0.141 -15.874
328 H SER 44 HN SER 44 3.865 -2.622 -15.691
329 HA SER 44 HA SER 44 1.290 -2.965 -14.332
330 HB2 SER 44 HB2 SER 44 0.012 -2.703 -16.499
331 HB3 SER 44 HB1 SER 44 0.715 -1.204 -15.911
332 HG SER 44 HG SER 44 1.447 -1.124 -17.896
333 H LEU 45 HN LEU 45 0.050 -4.736 -15.190
334 HA LEU 45 HA LEU 45 1.677 -6.981 -16.159
335 HB2 LEU 45 HB2 LEU 45 -0.207 -6.964 -14.223
336 HB3 LEU 45 HB1 LEU 45 -1.286 -7.230 -15.574
337 HG LEU 45 HG LEU 45 1.035 -9.058 -14.809
338 HD11 LEU 45 HD11 LEU 45 -0.738 -9.115 -13.127
339 HD12 LEU 45 HD12 LEU 45 -0.681 -10.632 -14.021
340 HD13 LEU 45 HD13 LEU 45 -1.942 -9.446 -14.377
341 HD21 LEU 45 HD21 LEU 45 0.087 -10.680 -16.393
342 HD22 LEU 45 HD22 LEU 45 0.564 -9.197 -17.217
343 HD23 LEU 45 HD23 LEU 45 -1.141 -9.507 -16.881
344 H LEU 46 HN LEU 46 1.845 -5.403 -18.020
345 HA LEU 46 HA LEU 46 0.302 -6.271 -20.270
346 HB2 LEU 46 HB2 LEU 46 -0.947 -4.235 -19.124
347 HB3 LEU 46 HB1 LEU 46 0.351 -3.258 -19.772
348 HG LEU 46 HG LEU 46 -1.593 -4.916 -21.433
349 HD11 LEU 46 HD11 LEU 46 -2.579 -2.766 -22.119
350 HD12 LEU 46 HD12 LEU 46 -1.502 -1.916 -21.007
351 HD13 LEU 46 HD13 LEU 46 -2.722 -3.025 -20.379
352 HD21 LEU 46 HD21 LEU 46 -0.697 -3.737 -23.401
353 HD22 LEU 46 HD22 LEU 46 0.552 -4.689 -22.602
354 HD23 LEU 46 HD23 LEU 46 0.506 -2.938 -22.382
355 H THR 47 HN THR 47 2.422 -3.629 -19.099
356 HA THR 47 HA THR 47 4.332 -3.700 -21.167
357 HB THR 47 HB THR 47 5.863 -2.628 -19.376
358 HG1 THR 47 HG1 THR 47 3.676 -2.229 -17.725
359 HG21 THR 47 HG21 THR 47 4.503 -1.217 -20.879
360 HG22 THR 47 HG22 THR 47 4.591 -0.526 -19.258
361 HG23 THR 47 HG23 THR 47 3.129 -1.364 -19.780
362 H LEU 48 HN LEU 48 4.241 -5.389 -18.010
363 HA LEU 48 HA LEU 48 6.631 -6.864 -18.249
364 HB2 LEU 48 HB2 LEU 48 5.210 -6.489 -16.167
365 HB3 LEU 48 HB1 LEU 48 4.095 -7.697 -16.761
366 HG LEU 48 HG LEU 48 5.741 -8.427 -14.920
367 HD11 LEU 48 HD11 LEU 48 5.753 -10.122 -17.431
368 HD12 LEU 48 HD12 LEU 48 4.500 -10.104 -16.190
369 HD13 LEU 48 HD13 LEU 48 6.118 -10.674 -15.792
370 HD21 LEU 48 HD21 LEU 48 8.016 -9.059 -15.566
371 HD22 LEU 48 HD22 LEU 48 7.754 -7.331 -15.775
372 HD23 LEU 48 HD23 LEU 48 7.760 -8.396 -17.185
373 H THR 49 HN THR 49 3.356 -7.461 -19.406
374 HA THR 49 HA THR 49 3.675 -10.119 -20.297
375 HB THR 49 HB THR 49 1.735 -8.026 -21.373
376 HG1 THR 49 HG1 THR 49 0.418 -8.576 -19.698
377 HG21 THR 49 HG21 THR 49 1.818 -10.109 -22.718
378 HG22 THR 49 HG22 THR 49 0.277 -9.938 -21.874
379 HG23 THR 49 HG23 THR 49 1.499 -11.054 -21.262
380 H GLU 50 HN GLU 50 4.060 -7.001 -21.964
381 HA GLU 50 HA GLU 50 4.673 -7.888 -24.552
382 HB2 GLU 50 HB2 GLU 50 5.899 -5.455 -23.187
383 HB3 GLU 50 HB1 GLU 50 5.763 -5.723 -24.921
384 HG2 GLU 50 HG2 GLU 50 3.503 -5.219 -22.978
385 HG3 GLU 50 HG1 GLU 50 4.129 -4.101 -24.164
386 H HIS 51 HN HIS 51 6.825 -7.381 -21.756
387 HA HIS 51 HA HIS 51 9.275 -8.119 -23.040
388 HB2 HIS 51 HB2 HIS 51 9.339 -6.753 -21.038
389 HB3 HIS 51 HB1 HIS 51 8.436 -7.948 -20.114
390 HD1 HIS 51 HD1 HIS 51 11.915 -7.428 -21.608
391 HD2 HIS 51 HD2 HIS 51 9.944 -9.812 -18.838
392 HE1 HIS 51 HE1 HIS 51 13.693 -8.778 -20.428
393 H LYS 52 HN LYS 52 6.760 -9.888 -21.366
394 HA LYS 52 HA LYS 52 8.159 -12.325 -20.892
395 HB2 LYS 52 HB2 LYS 52 6.194 -11.570 -19.593
396 HB3 LYS 52 HB1 LYS 52 5.176 -11.740 -21.013
397 HG2 LYS 52 HG2 LYS 52 5.666 -14.221 -20.980
398 HG3 LYS 52 HG1 LYS 52 6.523 -13.973 -19.452
399 HD2 LYS 52 HD2 LYS 52 4.439 -13.051 -18.450
400 HD3 LYS 52 HD1 LYS 52 3.590 -13.332 -19.969
401 HE2 LYS 52 HE2 LYS 52 4.040 -15.768 -19.729
402 HE3 LYS 52 HE1 LYS 52 4.788 -15.454 -18.167
403 HZ1 LYS 52 HZ1 LYS 52 1.966 -14.860 -18.871
404 HZ2 LYS 52 HZ2 LYS 52 2.687 -14.583 -17.367
405 HZ3 LYS 52 HZ3 LYS 52 2.487 -16.160 -17.937
406 H VAL 53 HN VAL 53 5.966 -11.253 -23.507
407 HA VAL 53 HA VAL 53 5.722 -13.887 -24.651
408 HB VAL 53 HB VAL 53 4.309 -12.806 -26.365
409 HG11 VAL 53 HG11 VAL 53 3.264 -13.495 -24.268
410 HG12 VAL 53 HG12 VAL 53 2.488 -12.031 -24.865
411 HG13 VAL 53 HG13 VAL 53 3.641 -11.936 -23.531
412 HG21 VAL 53 HG21 VAL 53 4.969 -10.161 -25.003
413 HG22 VAL 53 HG22 VAL 53 3.743 -10.392 -26.255
414 HG23 VAL 53 HG23 VAL 53 5.450 -10.639 -26.634
415 H THR 54 HN THR 54 7.388 -10.904 -25.561
416 HA THR 54 HA THR 54 8.751 -12.253 -27.829
417 HB THR 54 HB THR 54 9.543 -9.965 -28.476
418 HG1 THR 54 HG1 THR 54 9.515 -9.019 -26.391
419 HG21 THR 54 HG21 THR 54 6.528 -10.144 -28.062
420 HG22 THR 54 HG22 THR 54 7.428 -10.783 -29.445
421 HG23 THR 54 HG23 THR 54 7.350 -9.043 -29.168
422 H HIS 55 HN HIS 55 9.300 -12.738 -24.944
423 HA HIS 55 HA HIS 55 11.686 -11.798 -24.021
424 HB2 HIS 55 HB2 HIS 55 9.933 -13.621 -23.090
425 HB3 HIS 55 HB1 HIS 55 11.137 -14.756 -23.687
426 HD1 HIS 55 HD1 HIS 55 13.585 -14.512 -22.539
427 HD2 HIS 55 HD2 HIS 55 10.491 -12.412 -20.752
428 HE1 HIS 55 HE1 HIS 55 14.426 -13.820 -20.264
Start of MODEL 6
1 H1 MET 1 HT1 MET 1 -11.978 22.527 6.519
2 H2 MET 1 HT2 MET 1 -10.814 22.385 5.308
3 H3 MET 1 HT3 MET 1 -11.573 23.871 5.579
4 HA MET 1 HA MET 1 -9.359 23.877 6.466
5 HB2 MET 1 HB2 MET 1 -11.529 23.847 8.608
6 HB3 MET 1 HB1 MET 1 -9.924 24.537 8.823
7 HG2 MET 1 HG2 MET 1 -12.038 25.516 6.880
8 HG3 MET 1 HG1 MET 1 -11.551 26.294 8.390
9 HE1 MET 1 HE1 MET 1 -10.094 28.697 5.582
10 HE2 MET 1 HE2 MET 1 -11.131 28.612 7.004
11 HE3 MET 1 HE3 MET 1 -11.610 27.795 5.516
12 H GLY 2 HN GLY 2 -7.985 23.149 8.328
13 HA2 GLY 2 HA2 GLY 2 -7.604 21.329 10.003
14 HA3 GLY 2 HA1 GLY 2 -8.200 20.208 8.777
15 H SER 3 HN SER 3 -6.278 19.023 8.622
16 HA SER 3 HA SER 3 -4.299 20.202 6.833
17 HB2 SER 3 HB2 SER 3 -3.438 18.925 9.476
18 HB3 SER 3 HB1 SER 3 -2.351 19.412 8.173
19 HG SER 3 HG SER 3 -3.616 21.550 8.584
20 H HIS 4 HN HIS 4 -5.067 18.700 5.282
21 HA HIS 4 HA HIS 4 -4.620 15.885 5.509
22 HB2 HIS 4 HB2 HIS 4 -4.556 17.697 3.060
23 HB3 HIS 4 HB1 HIS 4 -4.275 15.964 2.949
24 HD1 HIS 4 HD1 HIS 4 -6.978 18.480 3.541
25 HD2 HIS 4 HD2 HIS 4 -6.577 14.352 3.275
26 HE1 HIS 4 HE1 HIS 4 -9.318 17.576 3.484
27 HE2 HIS 4 HE2 HIS 4 -9.046 15.081 3.455
28 H LYS 5 HN LYS 5 -2.826 15.995 6.889
29 HA LYS 5 HA LYS 5 -0.223 15.979 5.522
30 HB2 LYS 5 HB2 LYS 5 -0.364 18.010 6.968
31 HB3 LYS 5 HB1 LYS 5 -0.796 17.017 8.349
32 HG2 LYS 5 HG2 LYS 5 1.396 16.040 8.459
33 HG3 LYS 5 HG1 LYS 5 1.849 16.712 6.887
34 HD2 LYS 5 HD2 LYS 5 2.897 17.979 8.736
35 HD3 LYS 5 HD1 LYS 5 1.783 18.997 7.825
36 HE2 LYS 5 HE2 LYS 5 1.524 19.438 10.192
37 HE3 LYS 5 HE1 LYS 5 0.066 18.648 9.605
38 HZ1 LYS 5 HZ1 LYS 5 0.735 17.757 11.709
39 HZ2 LYS 5 HZ2 LYS 5 2.270 17.364 11.118
40 HZ3 LYS 5 HZ3 LYS 5 0.901 16.563 10.525
41 H CYS 6 HN CYS 6 1.138 14.328 6.275
42 HA CYS 6 HA CYS 6 -0.139 11.877 6.463
43 HB2 CYS 6 HB2 CYS 6 2.134 12.210 5.517
44 HB3 CYS 6 HB1 CYS 6 2.766 12.501 7.136
45 H ASN 7 HN ASN 7 -1.402 11.358 8.234
46 HA ASN 7 HA ASN 7 -0.931 12.075 10.886
47 HB2 ASN 7 HB2 ASN 7 -2.568 10.257 11.492
48 HB3 ASN 7 HB1 ASN 7 -3.128 11.366 10.251
49 HD21 ASN 7 HD21 ASN 7 -4.697 9.732 9.771
50 HD22 ASN 7 HD22 ASN 7 -4.283 8.376 8.785
51 H VAL 8 HN VAL 8 0.556 9.557 9.051
52 HA VAL 8 HA VAL 8 1.545 7.962 11.234
53 HB VAL 8 HB VAL 8 2.684 8.098 8.399
54 HG11 VAL 8 HG11 VAL 8 4.123 6.894 9.952
55 HG12 VAL 8 HG12 VAL 8 3.395 5.770 8.806
56 HG13 VAL 8 HG13 VAL 8 2.771 5.868 10.454
57 HG21 VAL 8 HG21 VAL 8 0.387 6.358 9.387
58 HG22 VAL 8 HG22 VAL 8 1.161 6.230 7.804
59 HG23 VAL 8 HG23 VAL 8 0.277 7.693 8.233
60 H CYS 9 HN CYS 9 3.186 10.262 8.985
61 HA CYS 9 HA CYS 9 5.609 10.297 10.652
62 HB2 CYS 9 HB2 CYS 9 5.121 11.826 8.062
63 HB3 CYS 9 HB1 CYS 9 6.671 11.521 8.837
64 H SER 10 HN SER 10 3.331 12.621 9.284
65 HA SER 10 HA SER 10 2.420 14.563 9.908
66 HB2 SER 10 HB2 SER 10 3.940 14.264 12.534
67 HB3 SER 10 HB1 SER 10 2.703 15.488 12.209
68 HG SER 10 HG SER 10 1.228 13.766 11.867
69 H ARG 11 HN ARG 11 5.403 14.106 8.944
70 HA ARG 11 HA ARG 11 6.919 16.326 9.525
71 HB2 ARG 11 HB2 ARG 11 6.843 14.650 6.998
72 HB3 ARG 11 HB1 ARG 11 8.108 15.823 7.344
73 HG2 ARG 11 HG2 ARG 11 7.480 13.412 9.085
74 HG3 ARG 11 HG1 ARG 11 8.738 13.462 7.846
75 HD2 ARG 11 HD2 ARG 11 8.610 15.232 10.312
76 HD3 ARG 11 HD1 ARG 11 9.653 13.822 10.110
77 HE ARG 11 HE ARG 11 9.982 15.853 8.072
78 HH11 ARG 11 HH11 ARG 11 11.097 14.780 11.222
79 HH12 ARG 11 HH12 ARG 11 12.601 15.634 11.102
80 HH21 ARG 11 HH21 ARG 11 11.941 16.947 7.929
81 HH22 ARG 11 HH22 ARG 11 13.078 16.862 9.236
82 H THR 12 HN THR 12 4.468 16.161 6.797
83 HA THR 12 HA THR 12 4.469 18.860 6.210
84 HB THR 12 HB THR 12 6.928 18.605 5.852
85 HG1 THR 12 HG1 THR 12 6.188 20.248 4.655
86 HG21 THR 12 HG21 THR 12 7.824 17.391 3.881
87 HG22 THR 12 HG22 THR 12 6.207 16.799 3.504
88 HG23 THR 12 HG23 THR 12 7.004 16.280 4.987
89 H PHE 13 HN PHE 13 4.104 19.258 3.800
90 HA PHE 13 HA PHE 13 3.389 17.336 1.936
91 HB2 PHE 13 HB2 PHE 13 0.971 17.801 1.525
92 HB3 PHE 13 HB1 PHE 13 1.218 16.993 3.052
93 HD1 PHE 13 HD1 PHE 13 1.105 18.425 5.207
94 HD2 PHE 13 HD2 PHE 13 -0.207 19.872 1.412
95 HE1 PHE 13 HE1 PHE 13 -0.272 20.137 6.325
96 HE2 PHE 13 HE2 PHE 13 -1.567 21.582 2.531
97 HZ PHE 13 HZ PHE 13 -1.611 21.715 4.990
98 H PHE 14 HN PHE 14 2.963 18.373 -0.149
99 HA PHE 14 HA PHE 14 4.009 21.115 -0.310
100 HB2 PHE 14 HB2 PHE 14 4.826 19.398 -1.931
101 HB3 PHE 14 HB1 PHE 14 3.183 19.141 -2.503
102 HD1 PHE 14 HD1 PHE 14 5.904 21.696 -2.303
103 HD2 PHE 14 HD2 PHE 14 2.296 20.516 -4.274
104 HE1 PHE 14 HE1 PHE 14 6.243 23.452 -3.994
105 HE2 PHE 14 HE2 PHE 14 2.650 22.275 -5.960
106 HZ PHE 14 HZ PHE 14 4.621 23.742 -5.823
107 H SER 15 HN SER 15 1.241 19.252 -1.406
108 HA SER 15 HA SER 15 -0.687 21.243 -0.554
109 HB2 SER 15 HB2 SER 15 -0.114 21.780 -2.997
110 HB3 SER 15 HB1 SER 15 -0.781 20.207 -3.428
111 HG SER 15 HG SER 15 -2.196 22.256 -2.048
112 H GLU 16 HN GLU 16 -3.011 19.948 -1.506
113 HA GLU 16 HA GLU 16 -3.179 17.749 0.308
114 HB2 GLU 16 HB2 GLU 16 -5.140 19.184 -0.321
115 HB3 GLU 16 HB1 GLU 16 -5.094 18.503 -1.944
116 HG2 GLU 16 HG2 GLU 16 -5.554 16.253 -1.000
117 HG3 GLU 16 HG1 GLU 16 -5.652 16.963 0.612
118 H ASN 17 HN ASN 17 -2.653 18.027 -3.184
119 HA ASN 17 HA ASN 17 -2.769 15.216 -3.814
120 HB2 ASN 17 HB2 ASN 17 -3.167 17.090 -5.496
121 HB3 ASN 17 HB1 ASN 17 -1.461 17.486 -5.397
122 HD21 ASN 17 HD21 ASN 17 -3.053 16.705 -7.706
123 HD22 ASN 17 HD22 ASN 17 -2.290 15.305 -8.375
124 H GLY 18 HN GLY 18 -0.330 17.524 -2.892
125 HA2 GLY 18 HA2 GLY 18 2.074 16.139 -3.309
126 HA3 GLY 18 HA1 GLY 18 1.806 17.339 -2.050
127 H LEU 19 HN LEU 19 0.003 16.188 -0.387
128 HA LEU 19 HA LEU 19 1.394 14.250 1.067
129 HB2 LEU 19 HB2 LEU 19 -0.453 15.909 1.802
130 HB3 LEU 19 HB1 LEU 19 -1.599 14.706 1.280
131 HG LEU 19 HG LEU 19 -0.991 14.801 3.802
132 HD11 LEU 19 HD11 LEU 19 -0.796 12.097 2.446
133 HD12 LEU 19 HD12 LEU 19 -2.280 12.930 2.903
134 HD13 LEU 19 HD13 LEU 19 -1.165 12.383 4.153
135 HD21 LEU 19 HD21 LEU 19 1.514 13.369 2.854
136 HD22 LEU 19 HD22 LEU 19 1.017 13.626 4.524
137 HD23 LEU 19 HD23 LEU 19 1.448 15.006 3.523
138 H ARG 20 HN ARG 20 -1.308 13.907 -1.227
139 HA ARG 20 HA ARG 20 -1.800 11.147 -0.970
140 HB2 ARG 20 HB2 ARG 20 -2.037 12.923 -3.434
141 HB3 ARG 20 HB1 ARG 20 -2.685 11.290 -3.336
142 HG2 ARG 20 HG2 ARG 20 -3.523 13.564 -1.510
143 HG3 ARG 20 HG1 ARG 20 -4.384 13.085 -2.970
144 HD2 ARG 20 HD2 ARG 20 -3.905 11.337 -0.531
145 HD3 ARG 20 HD1 ARG 20 -5.426 12.136 -0.950
146 HE ARG 20 HE ARG 20 -4.752 10.580 -3.137
147 HH11 ARG 20 HH11 ARG 20 -5.438 9.945 0.261
148 HH12 ARG 20 HH12 ARG 20 -6.162 8.402 -0.060
149 HH21 ARG 20 HH21 ARG 20 -5.681 8.561 -3.519
150 HH22 ARG 20 HH22 ARG 20 -6.296 7.616 -2.200
151 H GLU 21 HN GLU 21 0.560 12.815 -3.032
152 HA GLU 21 HA GLU 21 1.703 10.603 -4.318
153 HB2 GLU 21 HB2 GLU 21 1.976 13.072 -4.889
154 HB3 GLU 21 HB1 GLU 21 3.122 13.196 -3.565
155 HG2 GLU 21 HG2 GLU 21 3.531 11.289 -5.890
156 HG3 GLU 21 HG1 GLU 21 4.028 12.973 -5.965
157 H HIS 22 HN HIS 22 2.506 12.255 -1.273
158 HA HIS 22 HA HIS 22 4.749 10.676 -0.546
159 HB2 HIS 22 HB2 HIS 22 4.513 12.817 0.565
160 HB3 HIS 22 HB1 HIS 22 2.886 12.429 1.120
161 HD1 HIS 22 HD1 HIS 22 6.471 11.258 1.714
162 HD2 HIS 22 HD2 HIS 22 2.786 11.351 3.627
163 HE1 HIS 22 HE1 HIS 22 6.831 10.246 3.998
164 H LEU 23 HN LEU 23 1.293 10.211 -0.135
165 HA LEU 23 HA LEU 23 1.242 8.572 2.140
166 HB2 LEU 23 HB2 LEU 23 -0.665 9.852 1.072
167 HB3 LEU 23 HB1 LEU 23 -0.748 8.583 -0.133
168 HG LEU 23 HG LEU 23 -1.130 6.954 1.816
169 HD11 LEU 23 HD11 LEU 23 -1.648 9.525 3.336
170 HD12 LEU 23 HD12 LEU 23 -0.346 8.372 3.632
171 HD13 LEU 23 HD13 LEU 23 -2.017 7.891 3.907
172 HD21 LEU 23 HD21 LEU 23 -3.260 9.053 1.262
173 HD22 LEU 23 HD22 LEU 23 -3.546 7.443 1.927
174 HD23 LEU 23 HD23 LEU 23 -2.936 7.616 0.286
175 H GLN 24 HN GLN 24 1.995 7.851 -1.157
176 HA GLN 24 HA GLN 24 1.620 5.073 -1.279
177 HB2 GLN 24 HB2 GLN 24 3.498 6.929 -2.759
178 HB3 GLN 24 HB1 GLN 24 3.276 5.232 -3.178
179 HG2 GLN 24 HG2 GLN 24 1.056 7.298 -3.152
180 HG3 GLN 24 HG1 GLN 24 1.950 6.781 -4.569
181 HE21 GLN 24 HE21 GLN 24 -0.906 6.580 -4.067
182 HE22 GLN 24 HE22 GLN 24 -1.309 4.907 -4.211
183 H THR 25 HN THR 25 3.958 6.818 0.519
184 HA THR 25 HA THR 25 6.052 4.854 0.624
185 HB THR 25 HB THR 25 6.859 6.114 2.634
186 HG1 THR 25 HG1 THR 25 5.139 8.212 2.365
187 HG21 THR 25 HG21 THR 25 7.573 6.889 0.401
188 HG22 THR 25 HG22 THR 25 7.385 8.246 1.513
189 HG23 THR 25 HG23 THR 25 6.144 7.921 0.302
190 H HIS 26 HN HIS 26 2.911 4.998 1.879
191 HA HIS 26 HA HIS 26 3.430 2.978 3.981
192 HB2 HIS 26 HB2 HIS 26 1.143 5.001 3.983
193 HB3 HIS 26 HB1 HIS 26 1.568 3.892 5.283
194 HD1 HIS 26 HD1 HIS 26 3.996 4.399 6.438
195 HD2 HIS 26 HD2 HIS 26 2.341 7.421 4.114
196 HE1 HIS 26 HE1 HIS 26 5.287 6.501 6.963
197 H ARG 27 HN ARG 27 2.737 2.816 0.994
198 HA ARG 27 HA ARG 27 0.031 1.822 0.814
199 HB2 ARG 27 HB2 ARG 27 0.532 1.251 -1.481
200 HB3 ARG 27 HB1 ARG 27 1.283 2.808 -1.145
201 HG2 ARG 27 HG2 ARG 27 3.478 1.755 -0.956
202 HG3 ARG 27 HG1 ARG 27 2.768 0.152 -1.160
203 HD2 ARG 27 HD2 ARG 27 2.048 0.771 -3.453
204 HD3 ARG 27 HD1 ARG 27 2.759 2.373 -3.234
205 HE ARG 27 HE ARG 27 4.886 1.480 -3.435
206 HH11 ARG 27 HH11 ARG 27 2.579 -1.172 -3.438
207 HH12 ARG 27 HH12 ARG 27 3.709 -2.298 -4.117
208 HH21 ARG 27 HH21 ARG 27 6.356 -0.008 -4.293
209 HH22 ARG 27 HH22 ARG 27 5.846 -1.640 -4.608
210 H GLY 28 HN GLY 28 3.113 0.489 1.629
211 HA2 GLY 28 HA2 GLY 28 2.633 -2.279 1.081
212 HA3 GLY 28 HA1 GLY 28 3.915 -1.613 2.079
213 HA PRO 29 HA PRO 29 0.500 -3.802 4.643
214 HB2 PRO 29 HB2 PRO 29 2.627 -5.767 5.357
215 HB3 PRO 29 HB1 PRO 29 0.978 -6.061 4.791
216 HG2 PRO 29 HG2 PRO 29 3.124 -6.522 3.210
217 HG3 PRO 29 HG1 PRO 29 1.584 -5.929 2.551
218 HD2 PRO 29 HD2 PRO 29 4.102 -4.384 3.174
219 HD3 PRO 29 HD1 PRO 29 3.038 -4.279 1.750
220 H ALA 30 HN ALA 30 0.294 -3.444 6.809
221 HA ALA 30 HA ALA 30 2.442 -2.063 8.268
222 HB1 ALA 30 HB1 ALA 30 -0.497 -2.453 8.981
223 HB2 ALA 30 HB2 ALA 30 0.185 -1.028 8.195
224 HB3 ALA 30 HB3 ALA 30 0.653 -1.435 9.847
225 H LYS 31 HN LYS 31 2.637 -4.952 7.743
226 HA LYS 31 HA LYS 31 1.795 -6.363 10.174
227 HB2 LYS 31 HB2 LYS 31 2.961 -7.396 7.547
228 HB3 LYS 31 HB1 LYS 31 2.361 -8.398 8.869
229 HG2 LYS 31 HG2 LYS 31 0.080 -7.546 8.502
230 HG3 LYS 31 HG1 LYS 31 0.668 -6.481 7.225
231 HD2 LYS 31 HD2 LYS 31 -0.384 -8.507 6.285
232 HD3 LYS 31 HD1 LYS 31 1.328 -8.411 5.863
233 HE2 LYS 31 HE2 LYS 31 1.852 -10.027 7.669
234 HE3 LYS 31 HE1 LYS 31 0.136 -10.138 8.064
235 HZ1 LYS 31 HZ1 LYS 31 1.405 -10.926 5.498
236 HZ2 LYS 31 HZ2 LYS 31 -0.251 -10.979 5.816
237 HZ3 LYS 31 HZ3 LYS 31 0.806 -11.970 6.685
238 H HIS 32 HN HIS 32 3.216 -6.637 11.740
239 HA HIS 32 HA HIS 32 5.865 -7.566 11.466
240 HB2 HIS 32 HB2 HIS 32 6.522 -5.328 10.815
241 HB3 HIS 32 HB1 HIS 32 5.537 -4.593 12.071
242 HD1 HIS 32 HD1 HIS 32 6.941 -3.661 13.878
243 HD2 HIS 32 HD2 HIS 32 8.679 -7.079 12.262
244 HE1 HIS 32 HE1 HIS 32 9.051 -4.027 15.178
245 HE2 HIS 32 HE2 HIS 32 9.996 -6.187 14.306
246 H TYR 33 HN TYR 33 6.495 -8.463 13.408
247 HA TYR 33 HA TYR 33 5.343 -7.375 15.889
248 HB2 TYR 33 HB2 TYR 33 4.316 -9.726 15.039
249 HB3 TYR 33 HB1 TYR 33 5.766 -10.368 15.796
250 HD1 TYR 33 HD1 TYR 33 2.704 -8.341 16.449
251 HD2 TYR 33 HD2 TYR 33 5.909 -10.520 18.228
252 HE1 TYR 33 HE1 TYR 33 1.609 -8.180 18.642
253 HE2 TYR 33 HE2 TYR 33 4.810 -10.364 20.416
254 HH TYR 33 HH TYR 33 3.154 -8.902 21.556
255 H MET 34 HN MET 34 6.651 -7.462 17.646
256 HA MET 34 HA MET 34 9.531 -7.975 17.228
257 HB2 MET 34 HB2 MET 34 8.982 -5.631 17.805
258 HB3 MET 34 HB1 MET 34 8.034 -6.156 19.185
259 HG2 MET 34 HG2 MET 34 10.126 -7.039 20.238
260 HG3 MET 34 HG1 MET 34 11.041 -6.387 18.882
261 HE1 MET 34 HE1 MET 34 7.926 -4.798 20.751
262 HE2 MET 34 HE2 MET 34 8.738 -3.775 21.936
263 HE3 MET 34 HE3 MET 34 8.858 -5.532 22.054
264 H CYS 35 HN CYS 35 10.405 -9.637 18.421
265 HA CYS 35 HA CYS 35 8.801 -11.447 19.867
266 HB2 CYS 35 HB2 CYS 35 10.860 -12.168 18.832
267 HB3 CYS 35 HB1 CYS 35 11.799 -11.067 19.804
268 HA PRO 36 HA PRO 36 8.581 -9.280 23.848
269 HB2 PRO 36 HB2 PRO 36 7.665 -11.417 25.364
270 HB3 PRO 36 HB1 PRO 36 6.627 -10.431 24.327
271 HG2 PRO 36 HG2 PRO 36 7.911 -13.095 23.732
272 HG3 PRO 36 HG1 PRO 36 6.244 -12.562 23.424
273 HD2 PRO 36 HD2 PRO 36 8.055 -12.585 21.451
274 HD3 PRO 36 HD1 PRO 36 6.858 -11.270 21.563
275 H ILE 37 HN ILE 37 10.383 -12.283 23.329
276 HA ILE 37 HA ILE 37 11.755 -12.101 25.900
277 HB ILE 37 HB ILE 37 12.056 -14.213 23.730
278 HG12 ILE 37 HG12 ILE 37 10.148 -14.306 26.128
279 HG13 ILE 37 HG11 ILE 37 9.646 -13.959 24.477
280 HG21 ILE 37 HG21 ILE 37 13.852 -14.231 25.394
281 HG22 ILE 37 HG22 ILE 37 12.838 -15.659 25.580
282 HG23 ILE 37 HG23 ILE 37 12.676 -14.308 26.706
283 HD11 ILE 37 HD11 ILE 37 10.372 -16.203 23.795
284 HD12 ILE 37 HD12 ILE 37 9.160 -16.246 25.075
285 HD13 ILE 37 HD13 ILE 37 10.853 -16.543 25.461
286 H CYS 38 HN CYS 38 12.784 -12.351 22.403
287 HA CYS 38 HA CYS 38 15.220 -10.879 23.128
288 HB2 CYS 38 HB2 CYS 38 16.551 -12.355 21.771
289 HB3 CYS 38 HB1 CYS 38 15.704 -13.270 22.979
290 H GLY 39 HN GLY 39 12.575 -10.391 21.422
291 HA2 GLY 39 HA2 GLY 39 11.961 -8.794 19.972
292 HA3 GLY 39 HA1 GLY 39 13.270 -7.913 20.724
293 H GLU 40 HN GLU 40 13.854 -10.576 18.385
294 HA GLU 40 HA GLU 40 14.783 -8.737 16.385
295 HB2 GLU 40 HB2 GLU 40 15.082 -10.735 14.967
296 HB3 GLU 40 HB1 GLU 40 15.876 -10.889 16.520
297 HG2 GLU 40 HG2 GLU 40 13.137 -12.070 16.103
298 HG3 GLU 40 HG1 GLU 40 14.556 -12.894 15.501
299 H ARG 41 HN ARG 41 13.917 -8.635 14.202
300 HA ARG 41 HA ARG 41 11.087 -7.986 14.289
301 HB2 ARG 41 HB2 ARG 41 13.116 -7.629 12.026
302 HB3 ARG 41 HB1 ARG 41 11.510 -6.911 12.095
303 HG2 ARG 41 HG2 ARG 41 12.179 -5.516 13.995
304 HG3 ARG 41 HG1 ARG 41 13.773 -6.282 14.025
305 HD2 ARG 41 HD2 ARG 41 14.178 -5.403 11.710
306 HD3 ARG 41 HD1 ARG 41 12.625 -4.563 11.788
307 HE ARG 41 HE ARG 41 14.042 -3.735 14.011
308 HH11 ARG 41 HH11 ARG 41 14.520 -3.557 10.535
309 HH12 ARG 41 HH12 ARG 41 15.458 -2.102 10.616
310 HH21 ARG 41 HH21 ARG 41 15.282 -1.824 14.107
311 HH22 ARG 41 HH22 ARG 41 15.889 -1.121 12.636
312 H PHE 42 HN PHE 42 9.522 -9.375 13.581
313 HA PHE 42 HA PHE 42 10.110 -11.127 11.262
314 HB2 PHE 42 HB2 PHE 42 8.267 -11.613 13.631
315 HB3 PHE 42 HB1 PHE 42 8.077 -12.490 12.120
316 HD1 PHE 42 HD1 PHE 42 10.248 -12.051 15.065
317 HD2 PHE 42 HD2 PHE 42 9.748 -14.112 11.355
318 HE1 PHE 42 HE1 PHE 42 12.011 -13.632 15.693
319 HE2 PHE 42 HE2 PHE 42 11.521 -15.693 11.996
320 HZ PHE 42 HZ PHE 42 12.659 -15.455 14.170
321 HA PRO 43 HA PRO 43 7.330 -8.619 8.929
322 HB2 PRO 43 HB2 PRO 43 6.591 -10.340 6.935
323 HB3 PRO 43 HB1 PRO 43 8.225 -9.683 7.068
324 HG2 PRO 43 HG2 PRO 43 7.176 -12.347 8.017
325 HG3 PRO 43 HG1 PRO 43 8.636 -12.000 7.060
326 HD2 PRO 43 HD2 PRO 43 8.777 -12.404 9.717
327 HD3 PRO 43 HD1 PRO 43 9.819 -11.204 8.919
328 H SER 44 HN SER 44 6.086 -11.274 10.708
329 HA SER 44 HA SER 44 3.379 -10.194 10.547
330 HB2 SER 44 HB2 SER 44 2.372 -12.442 9.995
331 HB3 SER 44 HB1 SER 44 3.321 -11.769 8.678
332 HG SER 44 HG SER 44 4.092 -13.767 8.784
333 H LEU 45 HN LEU 45 1.917 -11.253 12.015
334 HA LEU 45 HA LEU 45 3.120 -12.213 14.530
335 HB2 LEU 45 HB2 LEU 45 1.079 -10.444 14.087
336 HB3 LEU 45 HB1 LEU 45 0.127 -11.909 14.153
337 HG LEU 45 HG LEU 45 1.862 -10.778 16.385
338 HD11 LEU 45 HD11 LEU 45 -1.158 -10.980 16.184
339 HD12 LEU 45 HD12 LEU 45 -0.194 -9.510 16.050
340 HD13 LEU 45 HD13 LEU 45 -0.246 -10.381 17.579
341 HD21 LEU 45 HD21 LEU 45 1.919 -13.207 16.533
342 HD22 LEU 45 HD22 LEU 45 0.157 -13.282 16.463
343 HD23 LEU 45 HD23 LEU 45 0.961 -12.533 17.848
344 H LEU 46 HN LEU 46 3.649 -13.959 12.653
345 HA LEU 46 HA LEU 46 2.022 -16.334 13.092
346 HB2 LEU 46 HB2 LEU 46 2.661 -15.248 10.307
347 HB3 LEU 46 HB1 LEU 46 2.161 -16.904 10.605
348 HG LEU 46 HG LEU 46 0.458 -14.423 11.064
349 HD11 LEU 46 HD11 LEU 46 0.737 -14.914 8.690
350 HD12 LEU 46 HD12 LEU 46 -0.909 -15.277 9.199
351 HD13 LEU 46 HD13 LEU 46 0.246 -16.589 8.949
352 HD21 LEU 46 HD21 LEU 46 -0.122 -16.126 12.719
353 HD22 LEU 46 HD22 LEU 46 -0.276 -17.349 11.455
354 HD23 LEU 46 HD23 LEU 46 -1.398 -15.989 11.511
355 H THR 47 HN THR 47 4.688 -14.935 11.178
356 HA THR 47 HA THR 47 6.519 -17.073 11.380
357 HB THR 47 HB THR 47 8.245 -15.231 10.825
358 HG1 THR 47 HG1 THR 47 6.200 -13.483 10.145
359 HG21 THR 47 HG21 THR 47 5.822 -15.420 8.992
360 HG22 THR 47 HG22 THR 47 7.159 -16.571 9.045
361 HG23 THR 47 HG23 THR 47 7.448 -14.912 8.527
362 H LEU 48 HN LEU 48 5.952 -14.203 13.424
363 HA LEU 48 HA LEU 48 8.047 -14.588 15.266
364 HB2 LEU 48 HB2 LEU 48 6.576 -12.528 15.020
365 HB3 LEU 48 HB1 LEU 48 5.305 -13.394 15.854
366 HG LEU 48 HG LEU 48 6.668 -11.700 17.227
367 HD11 LEU 48 HD11 LEU 48 5.223 -13.327 18.355
368 HD12 LEU 48 HD12 LEU 48 6.669 -12.981 19.297
369 HD13 LEU 48 HD13 LEU 48 6.550 -14.493 18.394
370 HD21 LEU 48 HD21 LEU 48 8.791 -13.850 17.090
371 HD22 LEU 48 HD22 LEU 48 8.813 -12.449 18.158
372 HD23 LEU 48 HD23 LEU 48 8.886 -12.216 16.418
373 H THR 49 HN THR 49 4.788 -15.911 15.125
374 HA THR 49 HA THR 49 4.698 -17.182 17.638
375 HB THR 49 HB THR 49 3.209 -17.950 15.093
376 HG1 THR 49 HG1 THR 49 1.835 -16.306 15.520
377 HG21 THR 49 HG21 THR 49 2.422 -18.317 18.012
378 HG22 THR 49 HG22 THR 49 2.940 -19.603 16.919
379 HG23 THR 49 HG23 THR 49 1.433 -18.741 16.611
380 H GLU 50 HN GLU 50 5.671 -18.334 14.448
381 HA GLU 50 HA GLU 50 6.314 -21.009 15.017
382 HB2 GLU 50 HB2 GLU 50 7.701 -19.147 13.041
383 HB3 GLU 50 HB1 GLU 50 7.770 -20.908 13.014
384 HG2 GLU 50 HG2 GLU 50 5.321 -19.186 12.524
385 HG3 GLU 50 HG1 GLU 50 6.248 -20.075 11.327
386 H HIS 51 HN HIS 51 8.318 -18.094 15.146
387 HA HIS 51 HA HIS 51 10.734 -19.195 16.074
388 HB2 HIS 51 HB2 HIS 51 10.738 -16.993 15.144
389 HB3 HIS 51 HB1 HIS 51 9.465 -16.439 16.222
390 HD1 HIS 51 HD1 HIS 51 13.147 -17.465 16.416
391 HD2 HIS 51 HD2 HIS 51 10.352 -15.091 18.380
392 HE1 HIS 51 HE1 HIS 51 14.409 -16.203 18.201
393 H LYS 52 HN LYS 52 7.896 -18.013 17.767
394 HA LYS 52 HA LYS 52 9.002 -17.884 20.375
395 HB2 LYS 52 HB2 LYS 52 7.084 -16.523 19.584
396 HB3 LYS 52 HB1 LYS 52 6.091 -17.976 19.505
397 HG2 LYS 52 HG2 LYS 52 6.199 -18.242 21.927
398 HG3 LYS 52 HG1 LYS 52 7.349 -16.910 22.057
399 HD2 LYS 52 HD2 LYS 52 5.058 -16.219 22.711
400 HD3 LYS 52 HD1 LYS 52 5.656 -15.304 21.326
401 HE2 LYS 52 HE2 LYS 52 4.294 -16.631 19.799
402 HE3 LYS 52 HE1 LYS 52 3.784 -17.695 21.114
403 HZ1 LYS 52 HZ1 LYS 52 3.209 -14.786 20.989
404 HZ2 LYS 52 HZ2 LYS 52 2.621 -15.885 22.124
405 HZ3 LYS 52 HZ3 LYS 52 2.130 -15.998 20.515
406 H VAL 53 HN VAL 53 7.178 -20.459 18.698
407 HA VAL 53 HA VAL 53 6.966 -22.113 21.048
408 HB VAL 53 HB VAL 53 6.049 -23.834 19.570
409 HG11 VAL 53 HG11 VAL 53 4.526 -22.093 20.380
410 HG12 VAL 53 HG12 VAL 53 4.043 -22.629 18.771
411 HG13 VAL 53 HG13 VAL 53 4.884 -21.090 18.973
412 HG21 VAL 53 HG21 VAL 53 7.461 -23.542 17.580
413 HG22 VAL 53 HG22 VAL 53 6.693 -21.993 17.238
414 HG23 VAL 53 HG23 VAL 53 5.752 -23.484 17.138
415 H THR 54 HN THR 54 9.249 -21.744 18.445
416 HA THR 54 HA THR 54 10.838 -24.092 19.254
417 HB THR 54 HB THR 54 12.256 -23.518 17.258
418 HG1 THR 54 HG1 THR 54 11.010 -21.184 17.452
419 HG21 THR 54 HG21 THR 54 10.372 -25.088 16.955
420 HG22 THR 54 HG22 THR 54 10.600 -24.107 15.506
421 HG23 THR 54 HG23 THR 54 9.288 -23.733 16.625
422 H HIS 55 HN HIS 55 10.758 -22.089 21.285
423 HA HIS 55 HA HIS 55 12.858 -20.115 20.724
424 HB2 HIS 55 HB2 HIS 55 10.458 -19.672 21.899
425 HB3 HIS 55 HB1 HIS 55 11.351 -20.076 23.358
426 HD1 HIS 55 HD1 HIS 55 13.594 -18.505 23.744
427 HD2 HIS 55 HD2 HIS 55 10.778 -17.183 20.994
428 HE1 HIS 55 HE1 HIS 55 14.145 -16.085 23.259
Start of MODEL 7
1 H1 MET 1 HT1 MET 1 -4.050 26.507 0.542
2 H2 MET 1 HT2 MET 1 -5.677 26.923 0.727
3 H3 MET 1 HT3 MET 1 -5.138 26.242 -0.719
4 HA MET 1 HA MET 1 -5.095 24.901 1.906
5 HB2 MET 1 HB2 MET 1 -7.420 25.296 0.997
6 HB3 MET 1 HB1 MET 1 -6.988 24.377 -0.436
7 HG2 MET 1 HG2 MET 1 -7.047 23.276 2.391
8 HG3 MET 1 HG1 MET 1 -8.320 23.062 1.187
9 HE1 MET 1 HE1 MET 1 -8.225 20.352 1.511
10 HE2 MET 1 HE2 MET 1 -7.020 20.631 2.767
11 HE3 MET 1 HE3 MET 1 -6.704 19.459 1.490
12 H GLY 2 HN GLY 2 -3.332 23.716 1.861
13 HA2 GLY 2 HA2 GLY 2 -2.867 21.608 0.000
14 HA3 GLY 2 HA1 GLY 2 -1.740 22.949 -0.260
15 H SER 3 HN SER 3 -3.198 21.308 2.524
16 HA SER 3 HA SER 3 -0.742 20.333 3.540
17 HB2 SER 3 HB2 SER 3 -0.914 21.613 5.757
18 HB3 SER 3 HB1 SER 3 -0.341 22.545 4.377
19 HG SER 3 HG SER 3 -1.923 23.853 4.733
20 H HIS 4 HN HIS 4 -1.546 18.298 3.919
21 HA HIS 4 HA HIS 4 -3.818 17.961 5.750
22 HB2 HIS 4 HB2 HIS 4 -4.472 17.377 3.405
23 HB3 HIS 4 HB1 HIS 4 -3.088 16.309 3.273
24 HD1 HIS 4 HD1 HIS 4 -6.609 16.402 4.304
25 HD2 HIS 4 HD2 HIS 4 -3.358 13.885 4.915
26 HE1 HIS 4 HE1 HIS 4 -7.573 14.227 5.111
27 HE2 HIS 4 HE2 HIS 4 -5.604 12.691 5.357
28 H LYS 5 HN LYS 5 -3.438 15.914 7.105
29 HA LYS 5 HA LYS 5 -0.568 15.876 7.746
30 HB2 LYS 5 HB2 LYS 5 -2.183 16.419 9.566
31 HB3 LYS 5 HB1 LYS 5 -2.937 14.845 9.362
32 HG2 LYS 5 HG2 LYS 5 -0.745 13.775 9.992
33 HG3 LYS 5 HG1 LYS 5 -0.104 15.385 10.311
34 HD2 LYS 5 HD2 LYS 5 -0.730 14.524 12.447
35 HD3 LYS 5 HD1 LYS 5 -1.996 15.673 12.024
36 HE2 LYS 5 HE2 LYS 5 -2.215 12.667 11.665
37 HE3 LYS 5 HE1 LYS 5 -2.826 13.536 13.067
38 HZ1 LYS 5 HZ1 LYS 5 -4.598 13.113 11.542
39 HZ2 LYS 5 HZ2 LYS 5 -3.761 13.830 10.264
40 HZ3 LYS 5 HZ3 LYS 5 -4.288 14.774 11.555
41 H CYS 6 HN CYS 6 0.564 14.241 6.702
42 HA CYS 6 HA CYS 6 -0.465 11.562 6.364
43 HB2 CYS 6 HB2 CYS 6 1.410 12.270 4.949
44 HB3 CYS 6 HB1 CYS 6 2.392 12.634 6.355
45 H ASN 7 HN ASN 7 -1.258 10.891 8.341
46 HA ASN 7 HA ASN 7 -0.635 11.401 10.886
47 HB2 ASN 7 HB2 ASN 7 -2.554 10.049 10.201
48 HB3 ASN 7 HB1 ASN 7 -1.505 8.696 9.793
49 HD21 ASN 7 HD21 ASN 7 -2.499 7.273 11.218
50 HD22 ASN 7 HD22 ASN 7 -2.362 7.418 12.936
51 H VAL 8 HN VAL 8 1.020 8.791 9.080
52 HA VAL 8 HA VAL 8 2.527 7.606 11.110
53 HB VAL 8 HB VAL 8 3.355 7.992 8.189
54 HG11 VAL 8 HG11 VAL 8 4.730 5.945 8.483
55 HG12 VAL 8 HG12 VAL 8 4.313 5.911 10.198
56 HG13 VAL 8 HG13 VAL 8 5.267 7.246 9.550
57 HG21 VAL 8 HG21 VAL 8 1.154 6.956 8.354
58 HG22 VAL 8 HG22 VAL 8 1.777 5.732 9.464
59 HG23 VAL 8 HG23 VAL 8 2.338 5.775 7.788
60 H CYS 9 HN CYS 9 3.266 10.365 9.070
61 HA CYS 9 HA CYS 9 5.932 10.814 10.204
62 HB2 CYS 9 HB2 CYS 9 4.356 12.191 8.006
63 HB3 CYS 9 HB1 CYS 9 5.979 12.647 8.490
64 H SER 10 HN SER 10 2.714 12.108 10.358
65 HA SER 10 HA SER 10 1.603 13.732 11.408
66 HB2 SER 10 HB2 SER 10 2.928 13.134 13.454
67 HB3 SER 10 HB1 SER 10 4.142 14.323 12.988
68 HG SER 10 HG SER 10 2.429 15.908 13.102
69 H ARG 11 HN ARG 11 3.666 14.162 9.076
70 HA ARG 11 HA ARG 11 3.911 17.118 9.180
71 HB2 ARG 11 HB2 ARG 11 5.445 15.200 7.377
72 HB3 ARG 11 HB1 ARG 11 5.782 16.906 7.643
73 HG2 ARG 11 HG2 ARG 11 6.141 14.656 9.656
74 HG3 ARG 11 HG1 ARG 11 7.426 15.510 8.796
75 HD2 ARG 11 HD2 ARG 11 6.893 17.576 9.987
76 HD3 ARG 11 HD1 ARG 11 5.500 16.809 10.759
77 HE ARG 11 HE ARG 11 7.754 15.282 11.384
78 HH11 ARG 11 HH11 ARG 11 6.514 18.493 12.130
79 HH12 ARG 11 HH12 ARG 11 7.332 18.567 13.657
80 HH21 ARG 11 HH21 ARG 11 8.799 15.417 13.367
81 HH22 ARG 11 HH22 ARG 11 8.611 16.823 14.370
82 H THR 12 HN THR 12 4.178 17.831 6.601
83 HA THR 12 HA THR 12 2.035 16.662 4.992
84 HB THR 12 HB THR 12 0.853 18.331 6.404
85 HG1 THR 12 HG1 THR 12 0.986 19.357 3.766
86 HG21 THR 12 HG21 THR 12 1.249 20.752 6.100
87 HG22 THR 12 HG22 THR 12 2.628 20.406 5.055
88 HG23 THR 12 HG23 THR 12 2.681 19.972 6.764
89 H PHE 13 HN PHE 13 1.969 17.407 2.828
90 HA PHE 13 HA PHE 13 4.386 18.708 1.746
91 HB2 PHE 13 HB2 PHE 13 3.383 16.462 0.804
92 HB3 PHE 13 HB1 PHE 13 2.102 17.453 0.129
93 HD1 PHE 13 HD1 PHE 13 2.649 19.133 -1.670
94 HD2 PHE 13 HD2 PHE 13 5.609 16.444 -0.178
95 HE1 PHE 13 HE1 PHE 13 4.059 19.605 -3.615
96 HE2 PHE 13 HE2 PHE 13 7.013 16.914 -2.137
97 HZ PHE 13 HZ PHE 13 6.244 18.496 -3.860
98 H PHE 14 HN PHE 14 4.136 20.645 0.449
99 HA PHE 14 HA PHE 14 2.115 22.472 1.078
100 HB2 PHE 14 HB2 PHE 14 4.141 22.472 -1.186
101 HB3 PHE 14 HB1 PHE 14 3.132 23.858 -0.783
102 HD1 PHE 14 HD2 PHE 14 5.987 21.784 0.333
103 HD2 PHE 14 HD1 PHE 14 3.571 25.197 1.234
104 HE1 PHE 14 HE2 PHE 14 7.649 22.532 1.982
105 HE2 PHE 14 HE1 PHE 14 5.240 25.932 2.890
106 HZ PHE 14 HZ PHE 14 7.277 24.601 3.270
107 H SER 15 HN SER 15 1.641 19.873 -0.925
108 HA SER 15 HA SER 15 -0.793 21.089 -2.064
109 HB2 SER 15 HB2 SER 15 0.729 20.770 -3.936
110 HB3 SER 15 HB1 SER 15 1.119 19.137 -3.406
111 HG SER 15 HG SER 15 -1.456 20.006 -4.246
112 H GLU 16 HN GLU 16 -2.609 19.808 -1.905
113 HA GLU 16 HA GLU 16 -2.731 17.645 -0.082
114 HB2 GLU 16 HB2 GLU 16 -5.048 17.414 -0.655
115 HB3 GLU 16 HB1 GLU 16 -4.695 19.134 -0.626
116 HG2 GLU 16 HG2 GLU 16 -4.886 17.473 -3.177
117 HG3 GLU 16 HG1 GLU 16 -6.230 18.365 -2.478
118 H ASN 17 HN ASN 17 -2.573 17.767 -3.634
119 HA ASN 17 HA ASN 17 -2.813 14.951 -4.101
120 HB2 ASN 17 HB2 ASN 17 -1.835 17.252 -5.838
121 HB3 ASN 17 HB1 ASN 17 -1.838 15.592 -6.414
122 HD21 ASN 17 HD21 ASN 17 -3.813 18.356 -5.674
123 HD22 ASN 17 HD22 ASN 17 -5.278 17.719 -6.330
124 H GLY 18 HN GLY 18 -0.234 17.137 -3.331
125 HA2 GLY 18 HA2 GLY 18 2.006 15.466 -4.063
126 HA3 GLY 18 HA1 GLY 18 2.055 16.925 -3.086
127 H LEU 19 HN LEU 19 0.277 16.199 -1.044
128 HA LEU 19 HA LEU 19 1.756 14.591 0.715
129 HB2 LEU 19 HB2 LEU 19 0.122 16.392 1.304
130 HB3 LEU 19 HB1 LEU 19 -1.179 15.361 0.817
131 HG LEU 19 HG LEU 19 -0.831 15.601 3.336
132 HD11 LEU 19 HD11 LEU 19 -0.705 12.725 2.392
133 HD12 LEU 19 HD12 LEU 19 -2.160 13.713 2.492
134 HD13 LEU 19 HD13 LEU 19 -1.279 13.300 3.960
135 HD21 LEU 19 HD21 LEU 19 1.620 13.881 2.871
136 HD22 LEU 19 HD22 LEU 19 0.944 14.343 4.434
137 HD23 LEU 19 HD23 LEU 19 1.612 15.576 3.373
138 H ARG 20 HN ARG 20 -1.248 13.913 -1.059
139 HA ARG 20 HA ARG 20 -1.623 11.215 -0.546
140 HB2 ARG 20 HB2 ARG 20 -2.068 12.745 -3.142
141 HB3 ARG 20 HB1 ARG 20 -2.655 11.109 -2.879
142 HG2 ARG 20 HG2 ARG 20 -3.478 13.370 -1.034
143 HG3 ARG 20 HG1 ARG 20 -4.300 13.096 -2.568
144 HD2 ARG 20 HD2 ARG 20 -5.538 12.035 -0.773
145 HD3 ARG 20 HD1 ARG 20 -4.885 10.799 -1.847
146 HE ARG 20 HE ARG 20 -3.608 11.491 0.736
147 HH11 ARG 20 HH11 ARG 20 -4.884 9.051 -1.433
148 HH12 ARG 20 HH12 ARG 20 -4.483 7.737 -0.376
149 HH21 ARG 20 HH21 ARG 20 -3.126 9.780 2.106
150 HH22 ARG 20 HH22 ARG 20 -3.486 8.151 1.638
151 H GLU 21 HN GLU 21 0.384 12.651 -3.112
152 HA GLU 21 HA GLU 21 1.385 10.245 -4.195
153 HB2 GLU 21 HB2 GLU 21 1.333 12.408 -5.435
154 HB3 GLU 21 HB1 GLU 21 2.585 13.037 -4.368
155 HG2 GLU 21 HG2 GLU 21 4.151 11.304 -5.174
156 HG3 GLU 21 HG1 GLU 21 2.904 10.656 -6.232
157 H HIS 22 HN HIS 22 2.451 12.257 -1.526
158 HA HIS 22 HA HIS 22 4.954 10.942 -1.075
159 HB2 HIS 22 HB2 HIS 22 4.828 13.083 -0.080
160 HB3 HIS 22 HB1 HIS 22 3.215 12.812 0.560
161 HD1 HIS 22 HD1 HIS 22 6.839 11.893 1.298
162 HD2 HIS 22 HD2 HIS 22 3.087 11.781 3.074
163 HE1 HIS 22 HE1 HIS 22 7.198 11.131 3.687
164 H LEU 23 HN LEU 23 1.640 10.503 0.191
165 HA LEU 23 HA LEU 23 2.350 8.850 2.348
166 HB2 LEU 23 HB2 LEU 23 0.354 10.356 2.108
167 HB3 LEU 23 HB1 LEU 23 -0.376 9.159 1.058
168 HG LEU 23 HG LEU 23 0.464 8.305 3.840
169 HD11 LEU 23 HD11 LEU 23 -2.081 9.853 3.278
170 HD12 LEU 23 HD12 LEU 23 -0.715 10.412 4.246
171 HD13 LEU 23 HD13 LEU 23 -1.675 9.038 4.794
172 HD21 LEU 23 HD21 LEU 23 -1.907 7.534 2.101
173 HD22 LEU 23 HD22 LEU 23 -1.485 6.815 3.657
174 HD23 LEU 23 HD23 LEU 23 -0.415 6.610 2.274
175 H GLN 24 HN GLN 24 1.586 8.099 -0.981
176 HA GLN 24 HA GLN 24 1.027 5.364 -0.752
177 HB2 GLN 24 HB2 GLN 24 1.439 5.193 -3.131
178 HB3 GLN 24 HB1 GLN 24 0.517 6.651 -2.780
179 HG2 GLN 24 HG2 GLN 24 2.526 7.992 -2.959
180 HG3 GLN 24 HG1 GLN 24 3.496 6.552 -3.239
181 HE21 GLN 24 HE21 GLN 24 3.171 8.885 -4.943
182 HE22 GLN 24 HE22 GLN 24 2.574 8.308 -6.456
183 H THR 25 HN THR 25 3.992 6.948 -0.212
184 HA THR 25 HA THR 25 5.850 4.894 -0.955
185 HB THR 25 HB THR 25 7.469 6.095 0.492
186 HG1 THR 25 HG1 THR 25 6.097 8.254 1.184
187 HG21 THR 25 HG21 THR 25 7.478 8.283 -0.656
188 HG22 THR 25 HG22 THR 25 5.827 7.999 -1.207
189 HG23 THR 25 HG23 THR 25 7.140 6.972 -1.784
190 H HIS 26 HN HIS 26 3.704 5.400 1.697
191 HA HIS 26 HA HIS 26 4.997 3.404 3.449
192 HB2 HIS 26 HB2 HIS 26 2.455 5.001 3.994
193 HB3 HIS 26 HB1 HIS 26 3.378 4.053 5.157
194 HD1 HIS 26 HD1 HIS 26 5.675 5.140 5.984
195 HD2 HIS 26 HD2 HIS 26 3.280 7.576 3.621
196 HE1 HIS 26 HE1 HIS 26 6.488 7.504 6.348
197 H ARG 27 HN ARG 27 2.267 3.946 1.350
198 HA ARG 27 HA ARG 27 0.693 1.681 2.012
199 HB2 ARG 27 HB2 ARG 27 -0.168 3.645 0.741
200 HB3 ARG 27 HB1 ARG 27 0.809 3.177 -0.646
201 HG2 ARG 27 HG2 ARG 27 -0.490 1.073 -0.835
202 HG3 ARG 27 HG1 ARG 27 -1.475 1.562 0.547
203 HD2 ARG 27 HD2 ARG 27 -2.651 2.007 -1.559
204 HD3 ARG 27 HD1 ARG 27 -2.276 3.523 -0.731
205 HE ARG 27 HE ARG 27 -0.166 3.204 -2.407
206 HH11 ARG 27 HH11 ARG 27 -3.635 3.196 -2.997
207 HH12 ARG 27 HH12 ARG 27 -3.466 3.781 -4.621
208 HH21 ARG 27 HH21 ARG 27 0.024 3.976 -4.508
209 HH22 ARG 27 HH22 ARG 27 -1.395 4.224 -5.478
210 H GLY 28 HN GLY 28 3.294 2.169 -0.356
211 HA2 GLY 28 HA2 GLY 28 3.454 -0.456 -1.391
212 HA3 GLY 28 HA1 GLY 28 4.791 0.683 -1.280
213 HA PRO 29 HA PRO 29 4.718 -2.824 2.085
214 HB2 PRO 29 HB2 PRO 29 6.254 -4.820 0.973
215 HB3 PRO 29 HB1 PRO 29 4.501 -4.719 0.768
216 HG2 PRO 29 HG2 PRO 29 6.687 -3.840 -1.112
217 HG3 PRO 29 HG1 PRO 29 5.186 -4.726 -1.472
218 HD2 PRO 29 HD2 PRO 29 5.441 -2.040 -1.898
219 HD3 PRO 29 HD1 PRO 29 3.891 -2.785 -1.446
220 H ALA 30 HN ALA 30 6.070 -2.055 3.593
221 HA ALA 30 HA ALA 30 8.833 -1.299 3.097
222 HB1 ALA 30 HB1 ALA 30 7.262 -1.389 5.697
223 HB2 ALA 30 HB2 ALA 30 7.459 0.020 4.660
224 HB3 ALA 30 HB3 ALA 30 8.861 -0.670 5.478
225 H LYS 31 HN LYS 31 10.213 -2.936 2.803
226 HA LYS 31 HA LYS 31 10.261 -5.267 4.554
227 HB2 LYS 31 HB2 LYS 31 9.789 -5.497 1.550
228 HB3 LYS 31 HB1 LYS 31 10.349 -6.843 2.543
229 HG2 LYS 31 HG2 LYS 31 8.272 -6.690 3.894
230 HG3 LYS 31 HG1 LYS 31 7.701 -5.378 2.860
231 HD2 LYS 31 HD2 LYS 31 7.684 -6.913 0.925
232 HD3 LYS 31 HD1 LYS 31 8.281 -8.225 1.949
233 HE2 LYS 31 HE2 LYS 31 6.216 -8.081 3.316
234 HE3 LYS 31 HE1 LYS 31 5.623 -6.779 2.282
235 HZ1 LYS 31 HZ1 LYS 31 6.192 -9.560 1.420
236 HZ2 LYS 31 HZ2 LYS 31 5.629 -8.319 0.423
237 HZ3 LYS 31 HZ3 LYS 31 4.659 -8.896 1.681
238 H HIS 32 HN HIS 32 12.232 -6.432 4.394
239 HA HIS 32 HA HIS 32 14.540 -5.600 3.035
240 HB2 HIS 32 HB2 HIS 32 15.669 -4.193 4.725
241 HB3 HIS 32 HB1 HIS 32 14.160 -3.425 4.245
242 HD1 HIS 32 HD1 HIS 32 16.021 -4.492 7.187
243 HD2 HIS 32 HD2 HIS 32 12.022 -3.842 6.269
244 HE1 HIS 32 HE1 HIS 32 14.845 -4.309 9.389
245 HE2 HIS 32 HE2 HIS 32 12.464 -3.738 8.800
246 H TYR 33 HN TYR 33 16.573 -6.163 4.484
247 HA TYR 33 HA TYR 33 16.032 -8.267 6.457
248 HB2 TYR 33 HB2 TYR 33 18.054 -9.548 5.399
249 HB3 TYR 33 HB1 TYR 33 16.483 -9.689 4.630
250 HD1 TYR 33 HD2 TYR 33 16.063 -8.683 2.407
251 HD2 TYR 33 HD1 TYR 33 19.912 -8.328 4.241
252 HE1 TYR 33 HE2 TYR 33 17.024 -7.980 0.261
253 HE2 TYR 33 HE1 TYR 33 20.869 -7.622 2.091
254 HH TYR 33 HH TYR 33 20.305 -7.899 -0.348
255 H MET 34 HN MET 34 16.775 -7.303 8.209
256 HA MET 34 HA MET 34 19.576 -6.389 8.291
257 HB2 MET 34 HB2 MET 34 18.123 -4.369 8.459
258 HB3 MET 34 HB1 MET 34 17.267 -5.094 9.814
259 HG2 MET 34 HG2 MET 34 19.336 -5.062 11.154
260 HG3 MET 34 HG1 MET 34 20.214 -4.371 9.788
261 HE1 MET 34 HE1 MET 34 20.167 -3.083 12.768
262 HE2 MET 34 HE2 MET 34 20.002 -1.377 12.356
263 HE3 MET 34 HE3 MET 34 21.089 -2.404 11.426
264 H CYS 35 HN CYS 35 20.717 -7.719 9.603
265 HA CYS 35 HA CYS 35 19.412 -9.356 11.626
266 HB2 CYS 35 HB2 CYS 35 21.280 -10.224 10.262
267 HB3 CYS 35 HB1 CYS 35 22.334 -8.964 10.881
268 HA PRO 36 HA PRO 36 18.795 -5.924 14.447
269 HB2 PRO 36 HB2 PRO 36 19.834 -8.011 16.396
270 HB3 PRO 36 HB1 PRO 36 18.509 -6.850 16.610
271 HG2 PRO 36 HG2 PRO 36 18.058 -9.410 15.862
272 HG3 PRO 36 HG1 PRO 36 17.046 -8.075 15.273
273 HD2 PRO 36 HD2 PRO 36 18.954 -9.745 13.776
274 HD3 PRO 36 HD1 PRO 36 17.739 -8.617 13.149
275 H ILE 37 HN ILE 37 21.779 -7.711 15.367
276 HA ILE 37 HA ILE 37 22.950 -5.298 16.488
277 HB ILE 37 HB ILE 37 24.062 -8.140 16.382
278 HG12 ILE 37 HG12 ILE 37 22.517 -6.893 18.708
279 HG13 ILE 37 HG11 ILE 37 21.777 -7.964 17.524
280 HG21 ILE 37 HG21 ILE 37 25.437 -7.439 18.329
281 HG22 ILE 37 HG22 ILE 37 24.807 -5.798 18.169
282 HG23 ILE 37 HG23 ILE 37 25.780 -6.503 16.878
283 HD11 ILE 37 HD11 ILE 37 24.014 -8.673 19.415
284 HD12 ILE 37 HD12 ILE 37 23.298 -9.766 18.227
285 HD13 ILE 37 HD13 ILE 37 22.323 -9.145 19.560
286 H CYS 38 HN CYS 38 23.788 -7.713 13.939
287 HA CYS 38 HA CYS 38 26.238 -6.226 13.302
288 HB2 CYS 38 HB2 CYS 38 27.232 -8.217 12.713
289 HB3 CYS 38 HB1 CYS 38 26.082 -8.813 13.895
290 H GLY 39 HN GLY 39 23.382 -7.642 11.575
291 HA2 GLY 39 HA2 GLY 39 22.291 -6.843 9.747
292 HA3 GLY 39 HA1 GLY 39 23.437 -5.528 9.659
293 H GLU 40 HN GLU 40 24.308 -8.947 9.539
294 HA GLU 40 HA GLU 40 25.611 -8.916 7.088
295 HB2 GLU 40 HB2 GLU 40 24.335 -11.247 8.556
296 HB3 GLU 40 HB1 GLU 40 25.379 -11.434 7.152
297 HG2 GLU 40 HG2 GLU 40 26.173 -10.191 9.784
298 HG3 GLU 40 HG1 GLU 40 26.597 -11.799 9.243
299 H ARG 41 HN ARG 41 24.955 -8.832 5.027
300 HA ARG 41 HA ARG 41 22.219 -8.715 4.254
301 HB2 ARG 41 HB2 ARG 41 23.089 -8.331 1.998
302 HB3 ARG 41 HB1 ARG 41 24.031 -7.412 3.158
303 HG2 ARG 41 HG2 ARG 41 25.489 -9.790 2.929
304 HG3 ARG 41 HG1 ARG 41 24.907 -9.530 1.290
305 HD2 ARG 41 HD2 ARG 41 26.513 -7.555 2.950
306 HD3 ARG 41 HD1 ARG 41 27.152 -8.564 1.650
307 HE ARG 41 HE ARG 41 25.037 -6.561 1.114
308 HH11 ARG 41 HH11 ARG 41 28.235 -7.814 0.435
309 HH12 ARG 41 HH12 ARG 41 28.546 -6.668 -0.822
310 HH21 ARG 41 HH21 ARG 41 25.482 -5.063 -0.548
311 HH22 ARG 41 HH22 ARG 41 27.010 -5.125 -1.374
312 H PHE 42 HN PHE 42 20.896 -10.288 3.446
313 HA PHE 42 HA PHE 42 22.000 -12.803 2.397
314 HB2 PHE 42 HB2 PHE 42 19.958 -12.557 4.644
315 HB3 PHE 42 HB1 PHE 42 20.020 -13.995 3.630
316 HD1 PHE 42 HD2 PHE 42 22.124 -15.376 3.519
317 HD2 PHE 42 HD1 PHE 42 21.639 -12.252 6.396
318 HE1 PHE 42 HE2 PHE 42 23.984 -16.300 4.835
319 HE2 PHE 42 HE1 PHE 42 23.501 -13.173 7.685
320 HZ PHE 42 HZ PHE 42 24.681 -15.196 6.924
321 HA PRO 43 HA PRO 43 19.337 -12.398 -1.076
322 HB2 PRO 43 HB2 PRO 43 18.278 -14.981 -1.389
323 HB3 PRO 43 HB1 PRO 43 19.912 -14.493 -1.871
324 HG2 PRO 43 HG2 PRO 43 19.025 -15.802 0.709
325 HG3 PRO 43 HG1 PRO 43 20.378 -16.242 -0.360
326 HD2 PRO 43 HD2 PRO 43 20.873 -14.838 1.831
327 HD3 PRO 43 HD1 PRO 43 21.672 -14.372 0.310
328 H SER 44 HN SER 44 17.855 -13.542 1.887
329 HA SER 44 HA SER 44 15.278 -12.385 1.257
330 HB2 SER 44 HB2 SER 44 15.489 -15.405 1.706
331 HB3 SER 44 HB1 SER 44 13.984 -14.493 1.614
332 HG SER 44 HG SER 44 15.147 -13.853 -0.568
333 H LEU 45 HN LEU 45 13.768 -12.625 3.107
334 HA LEU 45 HA LEU 45 15.160 -12.408 5.680
335 HB2 LEU 45 HB2 LEU 45 13.457 -10.675 4.906
336 HB3 LEU 45 HB1 LEU 45 12.212 -11.907 5.046
337 HG LEU 45 HG LEU 45 12.701 -12.065 7.515
338 HD11 LEU 45 HD11 LEU 45 14.524 -9.685 7.019
339 HD12 LEU 45 HD12 LEU 45 15.038 -11.299 7.516
340 HD13 LEU 45 HD13 LEU 45 14.060 -10.316 8.604
341 HD21 LEU 45 HD21 LEU 45 11.974 -9.275 6.552
342 HD22 LEU 45 HD22 LEU 45 11.603 -9.955 8.140
343 HD23 LEU 45 HD23 LEU 45 10.861 -10.637 6.696
344 H LEU 46 HN LEU 46 15.558 -14.803 5.147
345 HA LEU 46 HA LEU 46 13.931 -16.452 6.912
346 HB2 LEU 46 HB2 LEU 46 13.047 -16.780 4.501
347 HB3 LEU 46 HB1 LEU 46 14.621 -17.422 4.085
348 HG LEU 46 HG LEU 46 12.725 -18.688 6.117
349 HD11 LEU 46 HD11 LEU 46 13.217 -19.506 3.236
350 HD12 LEU 46 HD12 LEU 46 11.742 -18.788 3.883
351 HD13 LEU 46 HD13 LEU 46 12.237 -20.395 4.410
352 HD21 LEU 46 HD21 LEU 46 15.259 -19.831 4.884
353 HD22 LEU 46 HD22 LEU 46 14.133 -20.723 5.912
354 HD23 LEU 46 HD23 LEU 46 15.034 -19.359 6.570
355 H THR 47 HN THR 47 16.524 -16.609 4.453
356 HA THR 47 HA THR 47 18.409 -18.039 5.891
357 HB THR 47 HB THR 47 19.196 -15.846 3.927
358 HG1 THR 47 HG1 THR 47 18.017 -18.344 3.181
359 HG21 THR 47 HG21 THR 47 20.122 -18.731 4.225
360 HG22 THR 47 HG22 THR 47 20.998 -17.316 4.816
361 HG23 THR 47 HG23 THR 47 20.763 -17.548 3.080
362 H LEU 48 HN LEU 48 17.778 -14.560 5.794
363 HA LEU 48 HA LEU 48 19.760 -13.618 7.545
364 HB2 LEU 48 HB2 LEU 48 18.260 -12.244 6.034
365 HB3 LEU 48 HB1 LEU 48 16.922 -12.549 7.120
366 HG LEU 48 HG LEU 48 18.000 -10.239 7.281
367 HD11 LEU 48 HD11 LEU 48 17.882 -10.010 9.704
368 HD12 LEU 48 HD12 LEU 48 17.985 -11.759 9.906
369 HD13 LEU 48 HD13 LEU 48 16.577 -11.043 9.124
370 HD21 LEU 48 HD21 LEU 48 20.291 -11.723 8.598
371 HD22 LEU 48 HD22 LEU 48 20.096 -9.970 8.502
372 HD23 LEU 48 HD23 LEU 48 20.341 -10.907 7.030
373 H THR 49 HN THR 49 16.523 -14.950 8.160
374 HA THR 49 HA THR 49 16.345 -14.303 10.908
375 HB THR 49 HB THR 49 14.877 -16.496 9.387
376 HG1 THR 49 HG1 THR 49 13.507 -14.933 8.702
377 HG21 THR 49 HG21 THR 49 14.546 -16.578 11.853
378 HG22 THR 49 HG22 THR 49 13.066 -16.127 11.006
379 HG23 THR 49 HG23 THR 49 14.021 -14.891 11.824
380 H GLU 50 HN GLU 50 17.183 -17.316 9.218
381 HA GLU 50 HA GLU 50 17.778 -18.987 11.376
382 HB2 GLU 50 HB2 GLU 50 19.063 -18.945 8.604
383 HB3 GLU 50 HB1 GLU 50 19.128 -20.292 9.735
384 HG2 GLU 50 HG2 GLU 50 16.580 -19.209 8.499
385 HG3 GLU 50 HG1 GLU 50 17.487 -20.588 7.886
386 H HIS 51 HN HIS 51 19.826 -16.648 9.628
387 HA HIS 51 HA HIS 51 22.246 -17.226 11.019
388 HB2 HIS 51 HB2 HIS 51 22.515 -16.167 8.922
389 HB3 HIS 51 HB1 HIS 51 21.278 -14.958 9.254
390 HD1 HIS 51 HD1 HIS 51 24.843 -15.798 10.359
391 HD2 HIS 51 HD2 HIS 51 22.175 -12.634 10.195
392 HE1 HIS 51 HE1 HIS 51 26.069 -13.781 11.267
393 H LYS 52 HN LYS 52 19.665 -14.821 11.644
394 HA LYS 52 HA LYS 52 21.289 -13.130 13.222
395 HB2 LYS 52 HB2 LYS 52 19.389 -11.779 13.620
396 HB3 LYS 52 HB1 LYS 52 19.185 -12.419 11.998
397 HG2 LYS 52 HG2 LYS 52 17.472 -13.940 12.733
398 HG3 LYS 52 HG1 LYS 52 17.802 -13.581 14.430
399 HD2 LYS 52 HD2 LYS 52 17.161 -11.138 13.851
400 HD3 LYS 52 HD1 LYS 52 16.495 -11.793 12.353
401 HE2 LYS 52 HE2 LYS 52 15.673 -12.607 15.157
402 HE3 LYS 52 HE1 LYS 52 14.773 -11.503 14.114
403 HZ1 LYS 52 HZ1 LYS 52 14.453 -13.295 12.547
404 HZ2 LYS 52 HZ2 LYS 52 13.862 -13.724 14.067
405 HZ3 LYS 52 HZ3 LYS 52 15.335 -14.356 13.529
406 H VAL 53 HN VAL 53 19.275 -15.858 14.075
407 HA VAL 53 HA VAL 53 18.964 -15.263 16.849
408 HB VAL 53 HB VAL 53 18.035 -17.550 17.013
409 HG11 VAL 53 HG11 VAL 53 16.550 -15.750 16.235
410 HG12 VAL 53 HG12 VAL 53 16.132 -17.273 15.455
411 HG13 VAL 53 HG13 VAL 53 17.035 -16.045 14.563
412 HG21 VAL 53 HG21 VAL 53 17.877 -19.024 15.018
413 HG22 VAL 53 HG22 VAL 53 19.553 -18.753 15.481
414 HG23 VAL 53 HG23 VAL 53 18.879 -17.891 14.098
415 H THR 54 HN THR 54 21.332 -16.998 14.972
416 HA THR 54 HA THR 54 22.559 -18.447 17.105
417 HB THR 54 HB THR 54 24.292 -19.083 15.483
418 HG1 THR 54 HG1 THR 54 23.592 -16.761 14.301
419 HG21 THR 54 HG21 THR 54 22.126 -20.277 15.367
420 HG22 THR 54 HG22 THR 54 22.870 -20.149 13.773
421 HG23 THR 54 HG23 THR 54 21.524 -19.090 14.206
422 H HIS 55 HN HIS 55 22.587 -15.231 17.074
423 HA HIS 55 HA HIS 55 25.405 -14.706 17.545
424 HB2 HIS 55 HB2 HIS 55 22.863 -13.062 17.684
425 HB3 HIS 55 HB1 HIS 55 24.319 -12.464 18.469
426 HD1 HIS 55 HD1 HIS 55 26.129 -11.498 16.998
427 HD2 HIS 55 HD2 HIS 55 23.070 -13.250 14.816
428 HE1 HIS 55 HE1 HIS 55 26.523 -10.856 14.603
Start of MODEL 8
1 H1 MET 1 HT1 MET 1 -9.919 23.284 4.488
2 H2 MET 1 HT2 MET 1 -10.678 22.127 3.528
3 H3 MET 1 HT3 MET 1 -9.867 23.411 2.801
4 HA MET 1 HA MET 1 -8.576 21.423 2.628
5 HB2 MET 1 HB2 MET 1 -7.391 23.356 4.673
6 HB3 MET 1 HB1 MET 1 -6.483 22.274 3.624
7 HG2 MET 1 HG2 MET 1 -8.245 24.505 2.579
8 HG3 MET 1 HG1 MET 1 -6.520 24.688 2.897
9 HE1 MET 1 HE1 MET 1 -5.173 22.076 1.962
10 HE2 MET 1 HE2 MET 1 -4.623 23.673 1.448
11 HE3 MET 1 HE3 MET 1 -4.874 22.397 0.254
12 H GLY 2 HN GLY 2 -7.840 22.191 6.034
13 HA2 GLY 2 HA2 GLY 2 -9.004 20.999 7.881
14 HA3 GLY 2 HA1 GLY 2 -8.840 19.531 6.913
15 H SER 3 HN SER 3 -7.139 18.313 7.444
16 HA SER 3 HA SER 3 -4.504 19.577 7.722
17 HB2 SER 3 HB2 SER 3 -5.522 17.448 9.670
18 HB3 SER 3 HB1 SER 3 -3.867 18.065 9.598
19 HG SER 3 HG SER 3 -5.429 20.172 9.799
20 H HIS 4 HN HIS 4 -4.074 18.883 5.695
21 HA HIS 4 HA HIS 4 -3.902 16.031 5.077
22 HB2 HIS 4 HB2 HIS 4 -2.908 18.432 3.477
23 HB3 HIS 4 HB1 HIS 4 -2.923 16.764 2.910
24 HD1 HIS 4 HD1 HIS 4 -5.173 15.788 2.164
25 HD2 HIS 4 HD2 HIS 4 -5.455 19.686 3.571
26 HE1 HIS 4 HE1 HIS 4 -7.471 16.566 1.527
27 HE2 HIS 4 HE2 HIS 4 -7.519 18.993 2.180
28 H LYS 5 HN LYS 5 -2.694 15.757 7.056
29 HA LYS 5 HA LYS 5 0.217 16.254 6.858
30 HB2 LYS 5 HB2 LYS 5 -0.804 17.192 8.897
31 HB3 LYS 5 HB1 LYS 5 -1.582 15.657 9.258
32 HG2 LYS 5 HG2 LYS 5 0.664 14.631 9.607
33 HG3 LYS 5 HG1 LYS 5 1.407 16.203 9.310
34 HD2 LYS 5 HD2 LYS 5 -0.534 15.574 11.573
35 HD3 LYS 5 HD1 LYS 5 1.221 15.670 11.738
36 HE2 LYS 5 HE2 LYS 5 1.159 18.045 11.108
37 HE3 LYS 5 HE1 LYS 5 -0.591 17.961 10.895
38 HZ1 LYS 5 HZ1 LYS 5 -0.024 18.903 13.029
39 HZ2 LYS 5 HZ2 LYS 5 0.874 17.536 13.442
40 HZ3 LYS 5 HZ3 LYS 5 -0.797 17.421 13.252
41 H CYS 6 HN CYS 6 1.535 14.457 6.568
42 HA CYS 6 HA CYS 6 0.406 11.818 6.351
43 HB2 CYS 6 HB2 CYS 6 2.336 12.443 4.934
44 HB3 CYS 6 HB1 CYS 6 3.312 12.745 6.370
45 H ASN 7 HN ASN 7 -0.465 11.325 8.362
46 HA ASN 7 HA ASN 7 0.421 11.780 10.909
47 HB2 ASN 7 HB2 ASN 7 -1.053 9.294 9.942
48 HB3 ASN 7 HB1 ASN 7 -0.938 9.799 11.624
49 HD21 ASN 7 HD21 ASN 7 -3.139 10.032 11.893
50 HD22 ASN 7 HD22 ASN 7 -4.062 11.279 11.129
51 H VAL 8 HN VAL 8 1.479 9.129 8.819
52 HA VAL 8 HA VAL 8 2.826 7.496 10.681
53 HB VAL 8 HB VAL 8 3.638 7.884 7.758
54 HG11 VAL 8 HG11 VAL 8 4.017 5.494 9.612
55 HG12 VAL 8 HG12 VAL 8 5.280 6.584 9.036
56 HG13 VAL 8 HG13 VAL 8 4.438 5.536 7.896
57 HG21 VAL 8 HG21 VAL 8 2.078 6.042 7.195
58 HG22 VAL 8 HG22 VAL 8 1.233 7.437 7.866
59 HG23 VAL 8 HG23 VAL 8 1.505 6.012 8.868
60 H CYS 9 HN CYS 9 4.033 10.137 8.674
61 HA CYS 9 HA CYS 9 6.684 10.212 9.878
62 HB2 CYS 9 HB2 CYS 9 5.293 12.014 7.874
63 HB3 CYS 9 HB1 CYS 9 6.935 12.261 8.434
64 H SER 10 HN SER 10 3.668 11.714 10.317
65 HA SER 10 HA SER 10 2.686 13.293 11.506
66 HB2 SER 10 HB2 SER 10 3.540 14.094 13.616
67 HB3 SER 10 HB1 SER 10 4.009 12.401 13.471
68 HG SER 10 HG SER 10 6.058 12.963 13.278
69 H ARG 11 HN ARG 11 4.689 13.833 9.214
70 HA ARG 11 HA ARG 11 5.208 16.716 9.515
71 HB2 ARG 11 HB2 ARG 11 6.068 14.772 7.323
72 HB3 ARG 11 HB1 ARG 11 6.610 16.442 7.489
73 HG2 ARG 11 HG2 ARG 11 7.150 14.214 9.488
74 HG3 ARG 11 HG1 ARG 11 8.297 14.810 8.285
75 HD2 ARG 11 HD2 ARG 11 8.381 16.981 9.362
76 HD3 ARG 11 HD1 ARG 11 7.088 16.528 10.479
77 HE ARG 11 HE ARG 11 8.959 14.647 10.973
78 HH11 ARG 11 HH11 ARG 11 9.221 18.151 10.855
79 HH12 ARG 11 HH12 ARG 11 10.454 18.202 12.070
80 HH21 ARG 11 HH21 ARG 11 10.570 14.745 12.547
81 HH22 ARG 11 HH22 ARG 11 11.237 16.280 13.011
82 H THR 12 HN THR 12 4.878 18.068 7.466
83 HA THR 12 HA THR 12 2.022 17.822 6.773
84 HB THR 12 HB THR 12 2.824 19.925 7.917
85 HG1 THR 12 HG1 THR 12 1.876 20.562 5.312
86 HG21 THR 12 HG21 THR 12 4.208 20.507 5.265
87 HG22 THR 12 HG22 THR 12 5.028 20.183 6.794
88 HG23 THR 12 HG23 THR 12 4.039 21.631 6.616
89 H PHE 13 HN PHE 13 1.259 18.220 4.681
90 HA PHE 13 HA PHE 13 2.793 17.608 2.362
91 HB2 PHE 13 HB2 PHE 13 0.769 18.070 1.105
92 HB3 PHE 13 HB1 PHE 13 0.305 17.218 2.565
93 HD1 PHE 13 HD2 PHE 13 0.325 19.654 4.505
94 HD2 PHE 13 HD1 PHE 13 -1.261 19.174 0.575
95 HE1 PHE 13 HE2 PHE 13 -1.315 21.434 4.938
96 HE2 PHE 13 HE1 PHE 13 -2.886 20.954 1.014
97 HZ PHE 13 HZ PHE 13 -2.920 22.086 3.192
98 H PHE 14 HN PHE 14 2.303 19.167 0.374
99 HA PHE 14 HA PHE 14 2.890 22.002 0.941
100 HB2 PHE 14 HB2 PHE 14 4.940 20.973 0.019
101 HB3 PHE 14 HB1 PHE 14 4.027 20.236 -1.291
102 HD1 PHE 14 HD1 PHE 14 5.026 23.555 0.124
103 HD2 PHE 14 HD2 PHE 14 3.757 21.407 -3.351
104 HE1 PHE 14 HE1 PHE 14 5.460 25.537 -1.266
105 HE2 PHE 14 HE2 PHE 14 4.203 23.395 -4.733
106 HZ PHE 14 HZ PHE 14 5.054 25.462 -3.694
107 H SER 15 HN SER 15 1.972 19.774 -1.715
108 HA SER 15 HA SER 15 -0.590 21.216 -2.120
109 HB2 SER 15 HB2 SER 15 -0.646 20.043 -4.322
110 HB3 SER 15 HB1 SER 15 0.797 21.041 -4.152
111 HG SER 15 HG SER 15 1.410 19.061 -4.968
112 H GLU 16 HN GLU 16 -2.527 19.858 -2.350
113 HA GLU 16 HA GLU 16 -2.715 17.847 -0.332
114 HB2 GLU 16 HB2 GLU 16 -4.681 18.634 -2.517
115 HB3 GLU 16 HB1 GLU 16 -5.069 17.563 -1.170
116 HG2 GLU 16 HG2 GLU 16 -4.661 19.386 0.416
117 HG3 GLU 16 HG1 GLU 16 -4.217 20.463 -0.908
118 H ASN 17 HN ASN 17 -2.303 17.766 -3.824
119 HA ASN 17 HA ASN 17 -2.764 14.944 -4.191
120 HB2 ASN 17 HB2 ASN 17 -1.314 16.960 -5.970
121 HB3 ASN 17 HB1 ASN 17 -1.772 15.329 -6.454
122 HD21 ASN 17 HD21 ASN 17 -3.136 15.898 -8.112
123 HD22 ASN 17 HD22 ASN 17 -4.612 16.773 -7.885
124 H GLY 18 HN GLY 18 -0.086 17.053 -3.458
125 HA2 GLY 18 HA2 GLY 18 2.110 15.317 -3.809
126 HA3 GLY 18 HA1 GLY 18 2.054 16.712 -2.743
127 H LEU 19 HN LEU 19 0.076 15.987 -0.932
128 HA LEU 19 HA LEU 19 1.270 14.218 0.859
129 HB2 LEU 19 HB2 LEU 19 -0.621 15.971 1.205
130 HB3 LEU 19 HB1 LEU 19 -1.728 14.700 0.779
131 HG LEU 19 HG LEU 19 -1.431 15.121 3.274
132 HD11 LEU 19 HD11 LEU 19 -1.453 12.782 3.976
133 HD12 LEU 19 HD12 LEU 19 -0.838 12.282 2.399
134 HD13 LEU 19 HD13 LEU 19 -2.433 13.026 2.528
135 HD21 LEU 19 HD21 LEU 19 0.537 14.217 4.421
136 HD22 LEU 19 HD22 LEU 19 0.982 15.518 3.322
137 HD23 LEU 19 HD23 LEU 19 1.291 13.839 2.870
138 H ARG 20 HN ARG 20 -1.316 13.619 -1.534
139 HA ARG 20 HA ARG 20 -1.880 10.924 -0.937
140 HB2 ARG 20 HB2 ARG 20 -2.060 12.348 -3.620
141 HB3 ARG 20 HB1 ARG 20 -2.812 10.797 -3.253
142 HG2 ARG 20 HG2 ARG 20 -3.470 13.443 -1.919
143 HG3 ARG 20 HG1 ARG 20 -4.418 12.658 -3.177
144 HD2 ARG 20 HD2 ARG 20 -3.913 11.613 -0.367
145 HD3 ARG 20 HD1 ARG 20 -5.435 12.252 -0.998
146 HE ARG 20 HE ARG 20 -4.370 9.926 -2.395
147 HH11 ARG 20 HH11 ARG 20 -6.599 11.047 0.073
148 HH12 ARG 20 HH12 ARG 20 -7.444 9.536 0.152
149 HH21 ARG 20 HH21 ARG 20 -5.480 7.944 -2.262
150 HH22 ARG 20 HH22 ARG 20 -6.821 7.784 -1.168
151 H GLU 21 HN GLU 21 0.385 12.284 -3.338
152 HA GLU 21 HA GLU 21 1.380 9.924 -4.437
153 HB2 GLU 21 HB2 GLU 21 1.714 12.170 -5.429
154 HB3 GLU 21 HB1 GLU 21 2.746 12.628 -4.080
155 HG2 GLU 21 HG2 GLU 21 4.404 10.930 -4.784
156 HG3 GLU 21 HG1 GLU 21 3.367 10.489 -6.141
157 H HIS 22 HN HIS 22 2.471 11.838 -1.685
158 HA HIS 22 HA HIS 22 4.699 10.268 -0.893
159 HB2 HIS 22 HB2 HIS 22 4.469 12.616 -0.267
160 HB3 HIS 22 HB1 HIS 22 2.965 12.300 0.582
161 HD1 HIS 22 HD1 HIS 22 4.975 13.796 2.164
162 HD2 HIS 22 HD2 HIS 22 4.985 9.657 2.045
163 HE1 HIS 22 HE1 HIS 22 5.924 13.007 4.361
164 H LEU 23 HN LEU 23 1.247 10.157 -0.123
165 HA LEU 23 HA LEU 23 1.255 8.730 2.270
166 HB2 LEU 23 HB2 LEU 23 -0.653 10.011 1.128
167 HB3 LEU 23 HB1 LEU 23 -0.930 8.560 0.185
168 HG LEU 23 HG LEU 23 -1.298 7.308 2.337
169 HD11 LEU 23 HD11 LEU 23 -0.076 8.736 3.886
170 HD12 LEU 23 HD12 LEU 23 -1.751 8.588 4.407
171 HD13 LEU 23 HD13 LEU 23 -1.207 10.065 3.607
172 HD21 LEU 23 HD21 LEU 23 -3.581 8.176 2.732
173 HD22 LEU 23 HD22 LEU 23 -3.225 8.102 1.010
174 HD23 LEU 23 HD23 LEU 23 -3.181 9.654 1.849
175 H GLN 24 HN GLN 24 1.396 7.613 -1.051
176 HA GLN 24 HA GLN 24 0.771 4.876 -0.590
177 HB2 GLN 24 HB2 GLN 24 2.064 6.220 -2.976
178 HB3 GLN 24 HB1 GLN 24 1.428 4.577 -2.944
179 HG2 GLN 24 HG2 GLN 24 -0.240 7.068 -2.470
180 HG3 GLN 24 HG1 GLN 24 -0.086 6.242 -4.000
181 HE21 GLN 24 HE21 GLN 24 -2.340 5.862 -4.111
182 HE22 GLN 24 HE22 GLN 24 -3.131 4.702 -3.106
183 H THR 25 HN THR 25 3.685 6.668 -0.172
184 HA THR 25 HA THR 25 5.558 4.533 -0.625
185 HB THR 25 HB THR 25 6.018 7.136 -0.629
186 HG1 THR 25 HG1 THR 25 7.606 5.654 -1.188
187 HG21 THR 25 HG21 THR 25 7.163 7.913 1.392
188 HG22 THR 25 HG22 THR 25 6.770 6.403 2.214
189 HG23 THR 25 HG23 THR 25 5.484 7.517 1.753
190 H HIS 26 HN HIS 26 3.342 5.059 1.845
191 HA HIS 26 HA HIS 26 4.899 3.498 3.825
192 HB2 HIS 26 HB2 HIS 26 2.364 5.152 4.202
193 HB3 HIS 26 HB1 HIS 26 3.168 4.232 5.478
194 HD1 HIS 26 HD1 HIS 26 5.773 5.014 5.913
195 HD2 HIS 26 HD2 HIS 26 3.294 7.663 3.902
196 HE1 HIS 26 HE1 HIS 26 6.915 7.259 6.006
197 H ARG 27 HN ARG 27 2.191 3.295 1.640
198 HA ARG 27 HA ARG 27 1.031 0.894 2.484
199 HB2 ARG 27 HB2 ARG 27 0.224 2.626 0.797
200 HB3 ARG 27 HB1 ARG 27 1.377 1.960 -0.345
201 HG2 ARG 27 HG2 ARG 27 0.136 -0.231 -0.197
202 HG3 ARG 27 HG1 ARG 27 -1.063 0.583 0.813
203 HD2 ARG 27 HD2 ARG 27 -1.393 2.234 -1.066
204 HD3 ARG 27 HD1 ARG 27 -0.349 1.219 -2.063
205 HE ARG 27 HE ARG 27 -2.109 -0.593 -1.470
206 HH11 ARG 27 HH11 ARG 27 -2.799 2.795 -2.050
207 HH12 ARG 27 HH12 ARG 27 -4.389 2.489 -2.663
208 HH21 ARG 27 HH21 ARG 27 -4.224 -0.969 -2.303
209 HH22 ARG 27 HH22 ARG 27 -5.191 0.383 -2.802
210 H GLY 28 HN GLY 28 3.870 0.528 2.748
211 HA2 GLY 28 HA2 GLY 28 4.456 -1.986 2.072
212 HA3 GLY 28 HA1 GLY 28 4.896 -1.120 0.600
213 HA PRO 29 HA PRO 29 8.404 -0.789 3.811
214 HB2 PRO 29 HB2 PRO 29 10.083 -2.756 3.002
215 HB3 PRO 29 HB1 PRO 29 8.717 -3.094 4.077
216 HG2 PRO 29 HG2 PRO 29 8.921 -3.483 1.095
217 HG3 PRO 29 HG1 PRO 29 8.294 -4.603 2.324
218 HD2 PRO 29 HD2 PRO 29 6.678 -3.002 0.791
219 HD3 PRO 29 HD1 PRO 29 6.238 -3.530 2.430
220 H ALA 30 HN ALA 30 10.533 0.044 3.352
221 HA ALA 30 HA ALA 30 10.900 1.345 0.811
222 HB1 ALA 30 HB1 ALA 30 12.795 1.136 3.182
223 HB2 ALA 30 HB2 ALA 30 11.644 2.441 2.885
224 HB3 ALA 30 HB3 ALA 30 13.005 2.199 1.788
225 H LYS 31 HN LYS 31 10.943 -0.369 -0.654
226 HA LYS 31 HA LYS 31 13.500 -1.840 -0.869
227 HB2 LYS 31 HB2 LYS 31 10.719 -3.053 -1.170
228 HB3 LYS 31 HB1 LYS 31 12.165 -3.821 -1.818
229 HG2 LYS 31 HG2 LYS 31 11.664 -3.205 1.117
230 HG3 LYS 31 HG1 LYS 31 11.487 -4.789 0.353
231 HD2 LYS 31 HD2 LYS 31 13.898 -4.818 -0.175
232 HD3 LYS 31 HD1 LYS 31 14.087 -3.209 0.526
233 HE2 LYS 31 HE2 LYS 31 14.859 -4.965 2.066
234 HE3 LYS 31 HE1 LYS 31 13.484 -4.089 2.740
235 HZ1 LYS 31 HZ1 LYS 31 12.049 -5.907 2.072
236 HZ2 LYS 31 HZ2 LYS 31 13.291 -6.467 3.071
237 HZ3 LYS 31 HZ3 LYS 31 13.366 -6.737 1.407
238 H HIS 32 HN HIS 32 11.292 0.229 -2.236
239 HA HIS 32 HA HIS 32 12.220 -0.310 -5.000
240 HB2 HIS 32 HB2 HIS 32 10.171 0.865 -5.777
241 HB3 HIS 32 HB1 HIS 32 9.779 -0.554 -4.824
242 HD1 HIS 32 HD1 HIS 32 8.968 2.929 -5.188
243 HD2 HIS 32 HD2 HIS 32 8.992 0.233 -2.028
244 HE1 HIS 32 HE1 HIS 32 7.502 3.936 -3.427
245 HE2 HIS 32 HE2 HIS 32 7.671 2.376 -1.470
246 H TYR 33 HN TYR 33 14.168 0.754 -4.463
247 HA TYR 33 HA TYR 33 14.238 3.287 -3.127
248 HB2 TYR 33 HB2 TYR 33 16.397 1.536 -4.359
249 HB3 TYR 33 HB1 TYR 33 16.757 3.092 -3.605
250 HD1 TYR 33 HD1 TYR 33 15.600 -0.371 -2.950
251 HD2 TYR 33 HD2 TYR 33 16.577 3.392 -1.189
252 HE1 TYR 33 HE1 TYR 33 15.597 -1.409 -0.724
253 HE2 TYR 33 HE2 TYR 33 16.592 2.347 1.029
254 HH TYR 33 HH TYR 33 15.706 0.427 2.164
255 H MET 34 HN MET 34 13.779 5.108 -4.030
256 HA MET 34 HA MET 34 14.326 5.630 -6.885
257 HB2 MET 34 HB2 MET 34 11.935 5.739 -6.173
258 HB3 MET 34 HB1 MET 34 12.350 6.960 -4.980
259 HG2 MET 34 HG2 MET 34 12.972 8.522 -6.757
260 HG3 MET 34 HG1 MET 34 12.650 7.287 -7.977
261 HE1 MET 34 HE1 MET 34 9.338 9.166 -5.332
262 HE2 MET 34 HE2 MET 34 11.034 9.644 -5.242
263 HE3 MET 34 HE3 MET 34 10.538 8.039 -4.699
264 H CYS 35 HN CYS 35 15.705 7.255 -7.373
265 HA CYS 35 HA CYS 35 17.618 8.158 -5.546
266 HB2 CYS 35 HB2 CYS 35 18.122 7.974 -7.908
267 HB3 CYS 35 HB1 CYS 35 16.897 9.114 -8.326
268 HA PRO 36 HA PRO 36 15.222 11.644 -3.757
269 HB2 PRO 36 HB2 PRO 36 17.824 12.169 -2.344
270 HB3 PRO 36 HB1 PRO 36 16.203 11.949 -1.666
271 HG2 PRO 36 HG2 PRO 36 18.030 10.021 -1.433
272 HG3 PRO 36 HG1 PRO 36 16.332 9.615 -1.761
273 HD2 PRO 36 HD2 PRO 36 18.656 9.734 -3.694
274 HD3 PRO 36 HD1 PRO 36 17.394 8.488 -3.523
275 H ILE 37 HN ILE 37 18.339 11.747 -5.363
276 HA ILE 37 HA ILE 37 18.618 14.593 -5.386
277 HB ILE 37 HB ILE 37 20.108 12.489 -7.015
278 HG12 ILE 37 HG12 ILE 37 20.890 13.652 -4.286
279 HG13 ILE 37 HG11 ILE 37 20.214 12.043 -4.523
280 HG21 ILE 37 HG21 ILE 37 20.420 14.769 -7.864
281 HG22 ILE 37 HG22 ILE 37 21.911 14.169 -7.145
282 HG23 ILE 37 HG23 ILE 37 20.906 15.322 -6.265
283 HD11 ILE 37 HD11 ILE 37 22.857 13.020 -5.623
284 HD12 ILE 37 HD12 ILE 37 22.184 11.399 -5.811
285 HD13 ILE 37 HD13 ILE 37 22.631 11.986 -4.210
286 H CYS 38 HN CYS 38 18.082 12.228 -8.133
287 HA CYS 38 HA CYS 38 16.588 14.365 -9.491
288 HB2 CYS 38 HB2 CYS 38 17.514 13.702 -11.602
289 HB3 CYS 38 HB1 CYS 38 18.804 14.089 -10.498
290 H GLY 39 HN GLY 39 16.741 10.648 -9.432
291 HA2 GLY 39 HA2 GLY 39 14.775 9.874 -8.221
292 HA3 GLY 39 HA1 GLY 39 13.805 10.891 -9.271
293 H GLU 40 HN GLU 40 16.415 8.629 -10.088
294 HA GLU 40 HA GLU 40 14.866 6.958 -11.762
295 HB2 GLU 40 HB2 GLU 40 17.604 6.563 -10.473
296 HB3 GLU 40 HB1 GLU 40 16.933 5.479 -11.679
297 HG2 GLU 40 HG2 GLU 40 18.595 6.986 -12.633
298 HG3 GLU 40 HG1 GLU 40 17.013 7.232 -13.358
299 H ARG 41 HN ARG 41 13.522 5.362 -11.151
300 HA ARG 41 HA ARG 41 13.481 4.289 -8.438
301 HB2 ARG 41 HB2 ARG 41 11.422 4.828 -9.874
302 HB3 ARG 41 HB1 ARG 41 11.822 3.437 -10.859
303 HG2 ARG 41 HG2 ARG 41 11.153 3.297 -7.895
304 HG3 ARG 41 HG1 ARG 41 9.979 3.074 -9.187
305 HD2 ARG 41 HD2 ARG 41 11.529 1.160 -9.996
306 HD3 ARG 41 HD1 ARG 41 12.286 1.280 -8.405
307 HE ARG 41 HE ARG 41 9.410 0.993 -8.340
308 HH11 ARG 41 HH11 ARG 41 12.467 -0.729 -8.288
309 HH12 ARG 41 HH12 ARG 41 11.751 -2.207 -7.732
310 HH21 ARG 41 HH21 ARG 41 8.486 -0.936 -7.653
311 HH22 ARG 41 HH22 ARG 41 9.482 -2.332 -7.366
312 H PHE 42 HN PHE 42 14.626 2.552 -7.874
313 HA PHE 42 HA PHE 42 15.774 0.726 -9.904
314 HB2 PHE 42 HB2 PHE 42 16.982 1.836 -7.338
315 HB3 PHE 42 HB1 PHE 42 17.625 0.392 -8.113
316 HD1 PHE 42 HD2 PHE 42 18.208 0.606 -10.667
317 HD2 PHE 42 HD1 PHE 42 17.846 3.937 -8.023
318 HE1 PHE 42 HE2 PHE 42 19.583 1.962 -12.189
319 HE2 PHE 42 HE1 PHE 42 19.216 5.287 -9.549
320 HZ PHE 42 HZ PHE 42 20.094 4.305 -11.626
321 HA PRO 43 HA PRO 43 13.741 -2.653 -7.906
322 HB2 PRO 43 HB2 PRO 43 15.439 -4.757 -8.328
323 HB3 PRO 43 HB1 PRO 43 14.572 -3.969 -9.654
324 HG2 PRO 43 HG2 PRO 43 17.413 -3.521 -8.727
325 HG3 PRO 43 HG1 PRO 43 16.806 -3.783 -10.379
326 HD2 PRO 43 HD2 PRO 43 17.331 -1.301 -9.440
327 HD3 PRO 43 HD1 PRO 43 15.990 -1.607 -10.567
328 H SER 44 HN SER 44 16.907 -1.687 -6.707
329 HA SER 44 HA SER 44 16.410 -2.740 -4.066
330 HB2 SER 44 HB2 SER 44 18.508 -4.158 -4.056
331 HB3 SER 44 HB1 SER 44 17.242 -4.782 -5.105
332 HG SER 44 HG SER 44 19.274 -4.804 -6.141
333 H LEU 45 HN LEU 45 18.208 -2.294 -2.606
334 HA LEU 45 HA LEU 45 19.654 0.192 -3.183
335 HB2 LEU 45 HB2 LEU 45 18.439 -0.345 -0.957
336 HB3 LEU 45 HB1 LEU 45 19.800 -1.382 -0.588
337 HG LEU 45 HG LEU 45 19.808 0.976 0.426
338 HD11 LEU 45 HD11 LEU 45 21.841 -0.377 0.435
339 HD12 LEU 45 HD12 LEU 45 22.221 1.325 0.194
340 HD13 LEU 45 HD13 LEU 45 22.262 0.214 -1.176
341 HD21 LEU 45 HD21 LEU 45 19.035 2.222 -1.531
342 HD22 LEU 45 HD22 LEU 45 20.528 1.831 -2.388
343 HD23 LEU 45 HD23 LEU 45 20.575 2.848 -0.946
344 H LEU 46 HN LEU 46 20.720 -0.974 -4.897
345 HA LEU 46 HA LEU 46 23.393 -1.822 -4.149
346 HB2 LEU 46 HB2 LEU 46 21.535 -3.615 -5.788
347 HB3 LEU 46 HB1 LEU 46 23.282 -3.745 -5.883
348 HG LEU 46 HG LEU 46 21.632 -4.255 -3.373
349 HD11 LEU 46 HD11 LEU 46 22.995 -6.248 -5.214
350 HD12 LEU 46 HD12 LEU 46 21.256 -6.000 -5.047
351 HD13 LEU 46 HD13 LEU 46 22.185 -6.626 -3.689
352 HD21 LEU 46 HD21 LEU 46 23.873 -3.422 -2.811
353 HD22 LEU 46 HD22 LEU 46 24.612 -4.641 -3.851
354 HD23 LEU 46 HD23 LEU 46 23.729 -5.131 -2.405
355 H THR 47 HN THR 47 21.071 -1.667 -6.825
356 HA THR 47 HA THR 47 22.835 -0.498 -8.731
357 HB THR 47 HB THR 47 20.610 -0.104 -9.987
358 HG1 THR 47 HG1 THR 47 19.186 -1.838 -8.509
359 HG21 THR 47 HG21 THR 47 20.293 -2.504 -10.477
360 HG22 THR 47 HG22 THR 47 21.216 -2.930 -9.035
361 HG23 THR 47 HG23 THR 47 22.015 -2.114 -10.381
362 H LEU 48 HN LEU 48 20.326 0.851 -6.559
363 HA LEU 48 HA LEU 48 20.500 3.549 -7.295
364 HB2 LEU 48 HB2 LEU 48 18.780 2.518 -5.760
365 HB3 LEU 48 HB1 LEU 48 19.980 2.462 -4.492
366 HG LEU 48 HG LEU 48 18.237 4.340 -4.352
367 HD11 LEU 48 HD11 LEU 48 20.247 4.436 -2.976
368 HD12 LEU 48 HD12 LEU 48 19.768 6.048 -3.503
369 HD13 LEU 48 HD13 LEU 48 21.131 5.235 -4.280
370 HD21 LEU 48 HD21 LEU 48 19.857 5.593 -6.593
371 HD22 LEU 48 HD22 LEU 48 18.563 6.375 -5.681
372 HD23 LEU 48 HD23 LEU 48 18.198 5.001 -6.719
373 H THR 49 HN THR 49 22.492 1.647 -5.070
374 HA THR 49 HA THR 49 24.181 3.659 -4.083
375 HB THR 49 HB THR 49 24.898 0.735 -4.543
376 HG1 THR 49 HG1 THR 49 23.818 0.299 -2.739
377 HG21 THR 49 HG21 THR 49 26.443 1.036 -2.641
378 HG22 THR 49 HG22 THR 49 26.004 2.742 -2.535
379 HG23 THR 49 HG23 THR 49 26.857 2.137 -3.960
380 H GLU 50 HN GLU 50 24.456 1.632 -6.956
381 HA GLU 50 HA GLU 50 27.015 2.482 -7.866
382 HB2 GLU 50 HB2 GLU 50 24.678 1.390 -9.489
383 HB3 GLU 50 HB1 GLU 50 26.332 1.550 -10.083
384 HG2 GLU 50 HG2 GLU 50 27.094 -0.057 -8.364
385 HG3 GLU 50 HG1 GLU 50 25.439 -0.219 -7.784
386 H HIS 51 HN HIS 51 23.762 3.728 -8.401
387 HA HIS 51 HA HIS 51 24.390 5.602 -10.447
388 HB2 HIS 51 HB2 HIS 51 22.146 4.731 -10.258
389 HB3 HIS 51 HB1 HIS 51 22.003 5.279 -8.590
390 HD1 HIS 51 HD1 HIS 51 22.507 6.914 -12.038
391 HD2 HIS 51 HD2 HIS 51 20.618 7.549 -8.394
392 HE1 HIS 51 HE1 HIS 51 21.267 9.115 -12.245
393 H LYS 52 HN LYS 52 23.820 6.006 -6.944
394 HA LYS 52 HA LYS 52 23.907 8.816 -6.870
395 HB2 LYS 52 HB2 LYS 52 24.065 8.591 -4.413
396 HB3 LYS 52 HB1 LYS 52 22.861 7.498 -5.088
397 HG2 LYS 52 HG2 LYS 52 24.535 5.650 -4.962
398 HG3 LYS 52 HG1 LYS 52 25.646 6.749 -4.149
399 HD2 LYS 52 HD2 LYS 52 22.896 5.976 -3.105
400 HD3 LYS 52 HD1 LYS 52 24.408 5.218 -2.610
401 HE2 LYS 52 HE2 LYS 52 25.180 7.477 -1.786
402 HE3 LYS 52 HE1 LYS 52 23.563 8.096 -2.134
403 HZ1 LYS 52 HZ1 LYS 52 23.845 7.431 0.185
404 HZ2 LYS 52 HZ2 LYS 52 24.164 5.844 -0.304
405 HZ3 LYS 52 HZ3 LYS 52 22.646 6.527 -0.585
406 H VAL 53 HN VAL 53 26.520 6.423 -6.584
407 HA VAL 53 HA VAL 53 28.492 8.275 -5.644
408 HB VAL 53 HB VAL 53 30.118 6.471 -5.970
409 HG11 VAL 53 HG11 VAL 53 29.159 4.782 -4.428
410 HG12 VAL 53 HG12 VAL 53 27.550 5.456 -4.698
411 HG13 VAL 53 HG13 VAL 53 28.791 6.429 -3.912
412 HG21 VAL 53 HG21 VAL 53 29.331 5.492 -8.081
413 HG22 VAL 53 HG22 VAL 53 27.877 4.890 -7.288
414 HG23 VAL 53 HG23 VAL 53 29.456 4.232 -6.850
415 H THR 54 HN THR 54 27.428 7.193 -8.809
416 HA THR 54 HA THR 54 29.638 8.601 -10.169
417 HB THR 54 HB THR 54 28.660 7.569 -12.257
418 HG1 THR 54 HG1 THR 54 27.189 5.683 -10.926
419 HG21 THR 54 HG21 THR 54 29.354 5.604 -10.043
420 HG22 THR 54 HG22 THR 54 30.516 6.449 -11.070
421 HG23 THR 54 HG23 THR 54 29.409 5.269 -11.774
422 H HIS 55 HN HIS 55 26.959 9.684 -8.817
423 HA HIS 55 HA HIS 55 25.563 11.142 -10.745
424 HB2 HIS 55 HB2 HIS 55 25.490 10.905 -7.922
425 HB3 HIS 55 HB1 HIS 55 25.785 12.615 -8.183
426 HD1 HIS 55 HD1 HIS 55 23.981 13.639 -10.124
427 HD2 HIS 55 HD2 HIS 55 22.909 10.289 -7.928
428 HE1 HIS 55 HE1 HIS 55 21.474 13.448 -10.307
Start of MODEL 9
1 H1 MET 1 HT1 MET 1 -6.364 26.751 -0.442
2 H2 MET 1 HT2 MET 1 -6.403 25.246 -1.213
3 H3 MET 1 HT3 MET 1 -5.065 26.259 -1.406
4 HA MET 1 HA MET 1 -4.494 26.054 0.891
5 HB2 MET 1 HB2 MET 1 -6.943 24.228 0.995
6 HB3 MET 1 HB1 MET 1 -5.742 24.318 2.278
7 HG2 MET 1 HG2 MET 1 -6.296 26.716 2.598
8 HG3 MET 1 HG1 MET 1 -7.545 26.570 1.356
9 HE1 MET 1 HE1 MET 1 -9.358 27.539 3.143
10 HE2 MET 1 HE2 MET 1 -8.074 27.660 4.347
11 HE3 MET 1 HE3 MET 1 -9.581 26.843 4.747
12 H GLY 2 HN GLY 2 -3.948 23.600 1.913
13 HA2 GLY 2 HA2 GLY 2 -3.593 21.349 0.426
14 HA3 GLY 2 HA1 GLY 2 -2.256 22.385 -0.088
15 H SER 3 HN SER 3 -3.824 21.010 2.764
16 HA SER 3 HA SER 3 -1.348 20.362 4.028
17 HB2 SER 3 HB2 SER 3 -1.551 22.766 4.712
18 HB3 SER 3 HB1 SER 3 -3.141 22.435 5.395
19 HG SER 3 HG SER 3 -1.672 20.690 6.561
20 H HIS 4 HN HIS 4 -1.998 18.215 4.287
21 HA HIS 4 HA HIS 4 -4.176 17.669 6.150
22 HB2 HIS 4 HB2 HIS 4 -5.076 17.222 3.857
23 HB3 HIS 4 HB1 HIS 4 -3.662 16.235 3.483
24 HD1 HIS 4 HD1 HIS 4 -3.493 13.908 4.737
25 HD2 HIS 4 HD2 HIS 4 -7.110 15.895 5.208
26 HE1 HIS 4 HE1 HIS 4 -5.094 12.186 5.599
27 HE2 HIS 4 HE2 HIS 4 -7.308 13.372 5.739
28 H LYS 5 HN LYS 5 -3.646 15.503 7.280
29 HA LYS 5 HA LYS 5 -0.735 15.508 7.649
30 HB2 LYS 5 HB2 LYS 5 -3.065 14.740 9.403
31 HB3 LYS 5 HB1 LYS 5 -1.507 13.983 9.703
32 HG2 LYS 5 HG2 LYS 5 -0.455 16.157 9.997
33 HG3 LYS 5 HG1 LYS 5 -1.986 16.973 9.645
34 HD2 LYS 5 HD2 LYS 5 -2.986 15.940 11.677
35 HD3 LYS 5 HD1 LYS 5 -1.451 15.133 12.019
36 HE2 LYS 5 HE2 LYS 5 -0.354 17.317 12.305
37 HE3 LYS 5 HE1 LYS 5 -1.865 18.142 11.918
38 HZ1 LYS 5 HZ1 LYS 5 -1.426 16.350 14.244
39 HZ2 LYS 5 HZ2 LYS 5 -2.861 17.168 13.884
40 HZ3 LYS 5 HZ3 LYS 5 -1.474 18.040 14.298
41 H CYS 6 HN CYS 6 0.515 13.931 7.058
42 HA CYS 6 HA CYS 6 -0.455 11.302 6.222
43 HB2 CYS 6 HB2 CYS 6 1.410 12.250 4.937
44 HB3 CYS 6 HB1 CYS 6 2.338 12.513 6.405
45 H ASN 7 HN ASN 7 -1.060 10.067 7.946
46 HA ASN 7 HA ASN 7 -0.715 10.577 10.602
47 HB2 ASN 7 HB2 ASN 7 -2.395 9.018 9.675
48 HB3 ASN 7 HB1 ASN 7 -1.137 7.825 9.356
49 HD21 ASN 7 HD21 ASN 7 -1.435 9.848 12.293
50 HD22 ASN 7 HD22 ASN 7 -1.733 8.539 13.378
51 H VAL 8 HN VAL 8 1.294 8.394 8.689
52 HA VAL 8 HA VAL 8 2.907 7.258 10.668
53 HB VAL 8 HB VAL 8 3.767 7.933 7.813
54 HG11 VAL 8 HG11 VAL 8 5.238 5.939 8.011
55 HG12 VAL 8 HG12 VAL 8 4.751 5.753 9.698
56 HG13 VAL 8 HG13 VAL 8 5.638 7.188 9.192
57 HG21 VAL 8 HG21 VAL 8 2.260 5.463 8.764
58 HG22 VAL 8 HG22 VAL 8 2.873 5.744 7.131
59 HG23 VAL 8 HG23 VAL 8 1.604 6.776 7.784
60 H CYS 9 HN CYS 9 3.319 10.224 8.810
61 HA CYS 9 HA CYS 9 5.992 10.794 9.851
62 HB2 CYS 9 HB2 CYS 9 4.215 12.165 7.826
63 HB3 CYS 9 HB1 CYS 9 5.797 12.774 8.292
64 H SER 10 HN SER 10 2.739 11.903 10.280
65 HA SER 10 HA SER 10 1.605 13.474 11.357
66 HB2 SER 10 HB2 SER 10 2.321 14.345 13.490
67 HB3 SER 10 HB1 SER 10 2.846 12.670 13.390
68 HG SER 10 HG SER 10 4.927 13.329 13.127
69 H ARG 11 HN ARG 11 3.581 14.120 9.122
70 HA ARG 11 HA ARG 11 3.540 17.080 9.307
71 HB2 ARG 11 HB2 ARG 11 5.368 15.255 7.672
72 HB3 ARG 11 HB1 ARG 11 5.384 17.014 7.598
73 HG2 ARG 11 HG2 ARG 11 6.053 15.351 10.054
74 HG3 ARG 11 HG1 ARG 11 7.222 16.143 8.990
75 HD2 ARG 11 HD2 ARG 11 6.311 18.342 9.598
76 HD3 ARG 11 HD1 ARG 11 5.098 17.576 10.634
77 HE ARG 11 HE ARG 11 7.701 16.749 11.404
78 HH11 ARG 11 HH11 ARG 11 5.654 19.591 11.573
79 HH12 ARG 11 HH12 ARG 11 6.369 20.164 13.043
80 HH21 ARG 11 HH21 ARG 11 8.600 17.500 13.350
81 HH22 ARG 11 HH22 ARG 11 8.022 18.976 14.056
82 H THR 12 HN THR 12 3.738 17.872 6.777
83 HA THR 12 HA THR 12 1.724 16.598 5.101
84 HB THR 12 HB THR 12 0.317 17.997 6.538
85 HG1 THR 12 HG1 THR 12 0.538 19.376 4.063
86 HG21 THR 12 HG21 THR 12 1.988 20.372 5.639
87 HG22 THR 12 HG22 THR 12 1.955 19.699 7.272
88 HG23 THR 12 HG23 THR 12 0.511 20.457 6.595
89 H PHE 13 HN PHE 13 1.523 17.635 3.017
90 HA PHE 13 HA PHE 13 3.914 19.103 2.070
91 HB2 PHE 13 HB2 PHE 13 2.058 17.059 0.811
92 HB3 PHE 13 HB1 PHE 13 2.802 18.256 -0.246
93 HD1 PHE 13 HD2 PHE 13 3.727 15.801 2.452
94 HD2 PHE 13 HD1 PHE 13 4.950 17.807 -1.127
95 HE1 PHE 13 HE2 PHE 13 5.800 14.476 2.403
96 HE2 PHE 13 HE1 PHE 13 7.026 16.486 -1.149
97 HZ PHE 13 HZ PHE 13 7.452 14.816 0.612
98 H PHE 14 HN PHE 14 3.670 20.966 0.827
99 HA PHE 14 HA PHE 14 1.692 22.787 1.287
100 HB2 PHE 14 HB2 PHE 14 3.962 23.287 0.384
101 HB3 PHE 14 HB1 PHE 14 3.487 22.637 -1.177
102 HD1 PHE 14 HD1 PHE 14 2.747 25.365 1.265
103 HD2 PHE 14 HD2 PHE 14 2.413 24.060 -2.793
104 HE1 PHE 14 HE1 PHE 14 1.958 27.600 0.607
105 HE2 PHE 14 HE2 PHE 14 1.629 26.302 -3.442
106 HZ PHE 14 HZ PHE 14 1.397 28.073 -1.744
107 H SER 15 HN SER 15 1.643 20.282 -1.141
108 HA SER 15 HA SER 15 -1.041 21.143 -2.049
109 HB2 SER 15 HB2 SER 15 0.783 19.063 -3.353
110 HB3 SER 15 HB1 SER 15 -0.697 19.754 -4.022
111 HG SER 15 HG SER 15 1.654 21.215 -3.417
112 H GLU 16 HN GLU 16 -2.742 19.876 -1.482
113 HA GLU 16 HA GLU 16 -2.561 17.753 0.388
114 HB2 GLU 16 HB2 GLU 16 -4.958 17.449 0.110
115 HB3 GLU 16 HB1 GLU 16 -4.617 19.172 0.138
116 HG2 GLU 16 HG2 GLU 16 -5.169 17.550 -2.379
117 HG3 GLU 16 HG1 GLU 16 -6.367 18.506 -1.513
118 H ASN 17 HN ASN 17 -2.774 17.880 -3.120
119 HA ASN 17 HA ASN 17 -3.055 15.071 -3.612
120 HB2 ASN 17 HB2 ASN 17 -2.146 17.356 -5.417
121 HB3 ASN 17 HB1 ASN 17 -2.482 15.721 -5.979
122 HD21 ASN 17 HD21 ASN 17 -3.778 18.250 -6.721
123 HD22 ASN 17 HD22 ASN 17 -5.457 18.036 -6.371
124 H GLY 18 HN GLY 18 -0.394 17.245 -3.126
125 HA2 GLY 18 HA2 GLY 18 1.769 15.571 -4.014
126 HA3 GLY 18 HA1 GLY 18 1.899 16.980 -2.963
127 H LEU 19 HN LEU 19 0.078 16.128 -0.979
128 HA LEU 19 HA LEU 19 1.674 14.491 0.705
129 HB2 LEU 19 HB2 LEU 19 0.182 16.364 1.412
130 HB3 LEU 19 HB1 LEU 19 -1.210 15.405 1.022
131 HG LEU 19 HG LEU 19 -0.596 15.615 3.509
132 HD11 LEU 19 HD11 LEU 19 -0.885 12.774 2.490
133 HD12 LEU 19 HD12 LEU 19 -2.202 13.913 2.771
134 HD13 LEU 19 HD13 LEU 19 -1.233 13.344 4.129
135 HD21 LEU 19 HD21 LEU 19 1.145 14.178 4.416
136 HD22 LEU 19 HD22 LEU 19 1.836 15.331 3.276
137 HD23 LEU 19 HD23 LEU 19 1.598 13.647 2.794
138 H ARG 20 HN ARG 20 -1.427 13.957 -0.937
139 HA ARG 20 HA ARG 20 -1.866 11.274 -0.291
140 HB2 ARG 20 HB2 ARG 20 -2.696 12.785 -2.785
141 HB3 ARG 20 HB1 ARG 20 -3.280 11.173 -2.363
142 HG2 ARG 20 HG2 ARG 20 -4.019 12.269 -0.108
143 HG3 ARG 20 HG1 ARG 20 -3.826 13.798 -0.966
144 HD2 ARG 20 HD2 ARG 20 -5.613 11.508 -1.794
145 HD3 ARG 20 HD1 ARG 20 -6.148 12.995 -1.006
146 HE ARG 20 HE ARG 20 -4.749 13.608 -3.391
147 HH11 ARG 20 HH11 ARG 20 -7.848 12.364 -2.328
148 HH12 ARG 20 HH12 ARG 20 -8.663 12.824 -3.785
149 HH21 ARG 20 HH21 ARG 20 -5.839 14.184 -5.301
150 HH22 ARG 20 HH22 ARG 20 -7.537 13.855 -5.447
151 H GLU 21 HN GLU 21 -0.127 12.609 -3.092
152 HA GLU 21 HA GLU 21 0.747 10.254 -4.325
153 HB2 GLU 21 HB2 GLU 21 1.038 12.468 -5.387
154 HB3 GLU 21 HB1 GLU 21 2.165 12.948 -4.122
155 HG2 GLU 21 HG2 GLU 21 3.693 11.080 -4.899
156 HG3 GLU 21 HG1 GLU 21 2.606 10.847 -6.267
157 H HIS 22 HN HIS 22 2.113 12.140 -1.683
158 HA HIS 22 HA HIS 22 4.535 10.745 -1.298
159 HB2 HIS 22 HB2 HIS 22 4.485 12.931 -0.401
160 HB3 HIS 22 HB1 HIS 22 2.908 12.704 0.336
161 HD1 HIS 22 HD1 HIS 22 6.548 11.880 0.914
162 HD2 HIS 22 HD2 HIS 22 2.911 11.808 2.906
163 HE1 HIS 22 HE1 HIS 22 7.059 11.272 3.313
164 H LEU 23 HN LEU 23 1.263 10.258 0.036
165 HA LEU 23 HA LEU 23 1.883 8.589 2.198
166 HB2 LEU 23 HB2 LEU 23 -0.327 9.754 1.656
167 HB3 LEU 23 HB1 LEU 23 -0.664 8.412 0.574
168 HG LEU 23 HG LEU 23 -0.403 6.851 2.553
169 HD11 LEU 23 HD11 LEU 23 -0.539 7.783 4.833
170 HD12 LEU 23 HD12 LEU 23 -0.389 9.415 4.173
171 HD13 LEU 23 HD13 LEU 23 0.947 8.270 4.012
172 HD21 LEU 23 HD21 LEU 23 -2.654 7.498 1.759
173 HD22 LEU 23 HD22 LEU 23 -2.619 8.926 2.796
174 HD23 LEU 23 HD23 LEU 23 -2.636 7.313 3.513
175 H GLN 24 HN GLN 24 1.737 7.871 -1.168
176 HA GLN 24 HA GLN 24 1.346 5.109 -1.228
177 HB2 GLN 24 HB2 GLN 24 2.899 6.910 -3.130
178 HB3 GLN 24 HB1 GLN 24 2.435 5.248 -3.488
179 HG2 GLN 24 HG2 GLN 24 0.063 5.845 -3.310
180 HG3 GLN 24 HG1 GLN 24 0.496 7.509 -2.916
181 HE21 GLN 24 HE21 GLN 24 -1.079 6.382 -5.166
182 HE22 GLN 24 HE22 GLN 24 -0.325 6.983 -6.600
183 H THR 25 HN THR 25 4.129 6.868 -0.184
184 HA THR 25 HA THR 25 6.167 4.914 -0.759
185 HB THR 25 HB THR 25 7.605 6.291 0.724
186 HG1 THR 25 HG1 THR 25 5.887 8.325 1.209
187 HG21 THR 25 HG21 THR 25 5.930 8.033 -1.110
188 HG22 THR 25 HG22 THR 25 7.317 7.064 -1.608
189 HG23 THR 25 HG23 THR 25 7.540 8.422 -0.504
190 H HIS 26 HN HIS 26 3.714 5.159 1.618
191 HA HIS 26 HA HIS 26 5.154 3.523 3.629
192 HB2 HIS 26 HB2 HIS 26 2.556 5.090 3.924
193 HB3 HIS 26 HB1 HIS 26 3.415 4.256 5.215
194 HD1 HIS 26 HD1 HIS 26 5.799 5.340 5.869
195 HD2 HIS 26 HD2 HIS 26 3.308 7.647 3.485
196 HE1 HIS 26 HE1 HIS 26 6.641 7.706 6.049
197 H ARG 27 HN ARG 27 3.369 2.851 1.012
198 HA ARG 27 HA ARG 27 1.223 1.265 2.069
199 HB2 ARG 27 HB2 ARG 27 2.408 1.457 -0.719
200 HB3 ARG 27 HB1 ARG 27 1.077 0.371 -0.332
201 HG2 ARG 27 HG2 ARG 27 -0.232 2.385 0.466
202 HG3 ARG 27 HG1 ARG 27 1.063 3.402 -0.169
203 HD2 ARG 27 HD2 ARG 27 -0.834 3.216 -1.755
204 HD3 ARG 27 HD1 ARG 27 0.656 2.551 -2.432
205 HE ARG 27 HE ARG 27 -0.473 0.354 -1.394
206 HH11 ARG 27 HH11 ARG 27 -1.904 2.815 -3.441
207 HH12 ARG 27 HH12 ARG 27 -3.001 1.704 -4.196
208 HH21 ARG 27 HH21 ARG 27 -1.895 -1.074 -2.406
209 HH22 ARG 27 HH22 ARG 27 -2.990 -0.495 -3.622
210 H GLY 28 HN GLY 28 4.591 0.556 1.427
211 HA2 GLY 28 HA2 GLY 28 4.797 -1.702 2.942
212 HA3 GLY 28 HA1 GLY 28 4.270 -2.325 1.383
213 HA PRO 29 HA PRO 29 8.948 -2.156 1.361
214 HB2 PRO 29 HB2 PRO 29 9.394 -4.711 0.519
215 HB3 PRO 29 HB1 PRO 29 9.064 -4.332 2.215
216 HG2 PRO 29 HG2 PRO 29 7.171 -5.358 0.103
217 HG3 PRO 29 HG1 PRO 29 7.383 -5.911 1.779
218 HD2 PRO 29 HD2 PRO 29 5.375 -4.204 1.044
219 HD3 PRO 29 HD1 PRO 29 6.122 -4.153 2.655
220 H ALA 30 HN ALA 30 10.359 -2.031 -0.476
221 HA ALA 30 HA ALA 30 9.743 -2.544 -3.139
222 HB1 ALA 30 HB1 ALA 30 7.875 -0.949 -2.887
223 HB2 ALA 30 HB2 ALA 30 9.076 -0.336 -4.023
224 HB3 ALA 30 HB3 ALA 30 9.003 0.307 -2.382
225 H LYS 31 HN LYS 31 12.010 -3.023 -2.202
226 HA LYS 31 HA LYS 31 13.921 -0.872 -2.099
227 HB2 LYS 31 HB2 LYS 31 14.336 -3.880 -2.162
228 HB3 LYS 31 HB1 LYS 31 15.636 -2.709 -1.942
229 HG2 LYS 31 HG2 LYS 31 14.524 -1.898 0.123
230 HG3 LYS 31 HG1 LYS 31 13.278 -3.130 -0.088
231 HD2 LYS 31 HD2 LYS 31 15.073 -4.885 0.059
232 HD3 LYS 31 HD1 LYS 31 16.238 -3.605 0.423
233 HE2 LYS 31 HE2 LYS 31 15.448 -4.728 2.469
234 HE3 LYS 31 HE1 LYS 31 14.975 -3.028 2.455
235 HZ1 LYS 31 HZ1 LYS 31 13.173 -4.438 3.194
236 HZ2 LYS 31 HZ2 LYS 31 13.231 -5.334 1.762
237 HZ3 LYS 31 HZ3 LYS 31 12.761 -3.708 1.725
238 H HIS 32 HN HIS 32 12.417 -2.204 -4.729
239 HA HIS 32 HA HIS 32 12.760 -2.272 -6.945
240 HB2 HIS 32 HB2 HIS 32 13.754 -0.125 -7.906
241 HB3 HIS 32 HB1 HIS 32 12.392 0.060 -6.819
242 HD1 HIS 32 HD1 HIS 32 12.928 1.021 -4.415
243 HD2 HIS 32 HD2 HIS 32 16.082 1.222 -7.102
244 HE1 HIS 32 HE1 HIS 32 14.565 2.611 -3.403
245 HE2 HIS 32 HE2 HIS 32 16.404 2.835 -5.112
246 H TYR 33 HN TYR 33 13.999 -4.180 -7.082
247 HA TYR 33 HA TYR 33 16.894 -4.059 -6.845
248 HB2 TYR 33 HB2 TYR 33 15.273 -6.023 -6.087
249 HB3 TYR 33 HB1 TYR 33 15.405 -6.540 -7.753
250 HD1 TYR 33 HD1 TYR 33 17.366 -5.938 -4.629
251 HD2 TYR 33 HD2 TYR 33 17.471 -7.620 -8.548
252 HE1 TYR 33 HE1 TYR 33 19.497 -7.059 -4.117
253 HE2 TYR 33 HE2 TYR 33 19.578 -8.741 -8.023
254 HH TYR 33 HH TYR 33 20.743 -9.076 -4.913
255 H MET 34 HN MET 34 18.360 -4.432 -8.480
256 HA MET 34 HA MET 34 17.476 -3.859 -11.240
257 HB2 MET 34 HB2 MET 34 19.145 -2.318 -10.194
258 HB3 MET 34 HB1 MET 34 20.217 -3.672 -9.889
259 HG2 MET 34 HG2 MET 34 20.539 -3.992 -12.297
260 HG3 MET 34 HG1 MET 34 19.411 -2.679 -12.629
261 HE1 MET 34 HE1 MET 34 19.909 -0.109 -11.983
262 HE2 MET 34 HE2 MET 34 21.407 0.434 -11.227
263 HE3 MET 34 HE3 MET 34 20.266 -0.545 -10.310
264 H CYS 35 HN CYS 35 17.986 -5.340 -12.888
265 HA CYS 35 HA CYS 35 18.350 -8.065 -12.169
266 HB2 CYS 35 HB2 CYS 35 17.083 -7.299 -14.171
267 HB3 CYS 35 HB1 CYS 35 18.579 -6.815 -14.908
268 HA PRO 36 HA PRO 36 22.927 -8.105 -12.046
269 HB2 PRO 36 HB2 PRO 36 22.450 -11.068 -12.329
270 HB3 PRO 36 HB1 PRO 36 23.441 -10.197 -11.146
271 HG2 PRO 36 HG2 PRO 36 21.089 -11.213 -10.415
272 HG3 PRO 36 HG1 PRO 36 21.584 -9.608 -9.830
273 HD2 PRO 36 HD2 PRO 36 19.667 -10.310 -12.059
274 HD3 PRO 36 HD1 PRO 36 19.507 -9.080 -10.781
275 H ILE 37 HN ILE 37 20.952 -9.929 -14.369
276 HA ILE 37 HA ILE 37 23.130 -10.421 -16.185
277 HB ILE 37 HB ILE 37 20.130 -10.932 -16.483
278 HG12 ILE 37 HG12 ILE 37 22.287 -12.854 -15.453
279 HG13 ILE 37 HG11 ILE 37 21.120 -12.029 -14.428
280 HG21 ILE 37 HG21 ILE 37 20.798 -12.662 -18.131
281 HG22 ILE 37 HG22 ILE 37 22.485 -12.174 -17.963
282 HG23 ILE 37 HG23 ILE 37 21.305 -11.049 -18.630
283 HD11 ILE 37 HD11 ILE 37 20.501 -14.338 -14.824
284 HD12 ILE 37 HD12 ILE 37 20.485 -14.061 -16.562
285 HD13 ILE 37 HD13 ILE 37 19.303 -13.253 -15.529
286 H CYS 38 HN CYS 38 19.979 -8.619 -16.539
287 HA CYS 38 HA CYS 38 21.239 -6.997 -18.665
288 HB2 CYS 38 HB2 CYS 38 19.306 -7.227 -20.003
289 HB3 CYS 38 HB1 CYS 38 19.680 -8.834 -19.432
290 H GLY 39 HN GLY 39 20.254 -6.442 -15.669
291 HA2 GLY 39 HA2 GLY 39 19.720 -4.618 -14.489
292 HA3 GLY 39 HA1 GLY 39 20.236 -3.691 -15.884
293 H GLU 40 HN GLU 40 17.425 -5.725 -16.318
294 HA GLU 40 HA GLU 40 15.488 -3.736 -16.493
295 HB2 GLU 40 HB2 GLU 40 15.126 -6.658 -15.713
296 HB3 GLU 40 HB1 GLU 40 13.835 -5.582 -16.232
297 HG2 GLU 40 HG2 GLU 40 16.213 -6.388 -17.909
298 HG3 GLU 40 HG1 GLU 40 14.608 -7.094 -18.024
299 H ARG 41 HN ARG 41 14.269 -2.647 -15.053
300 HA ARG 41 HA ARG 41 14.843 -2.903 -12.203
301 HB2 ARG 41 HB2 ARG 41 13.645 -0.737 -11.983
302 HB3 ARG 41 HB1 ARG 41 14.955 -0.658 -13.154
303 HG2 ARG 41 HG2 ARG 41 13.339 -0.763 -15.001
304 HG3 ARG 41 HG1 ARG 41 12.011 -0.910 -13.851
305 HD2 ARG 41 HD2 ARG 41 13.851 1.489 -14.177
306 HD3 ARG 41 HD1 ARG 41 12.163 1.386 -14.687
307 HE ARG 41 HE ARG 41 12.546 0.892 -11.873
308 HH11 ARG 41 HH11 ARG 41 12.054 3.429 -14.238
309 HH12 ARG 41 HH12 ARG 41 11.510 4.572 -13.055
310 HH21 ARG 41 HH21 ARG 41 11.867 2.411 -10.345
311 HH22 ARG 41 HH22 ARG 41 11.405 4.004 -10.863
312 H PHE 42 HN PHE 42 13.561 -3.949 -10.837
313 HA PHE 42 HA PHE 42 10.645 -4.123 -11.307
314 HB2 PHE 42 HB2 PHE 42 12.531 -6.376 -10.492
315 HB3 PHE 42 HB1 PHE 42 10.812 -6.440 -10.140
316 HD1 PHE 42 HD1 PHE 42 13.296 -6.437 -12.906
317 HD2 PHE 42 HD2 PHE 42 9.170 -6.837 -11.876
318 HE1 PHE 42 HE1 PHE 42 12.807 -7.270 -15.163
319 HE2 PHE 42 HE2 PHE 42 8.698 -7.681 -14.136
320 HZ PHE 42 HZ PHE 42 10.511 -7.893 -15.784
321 HA PRO 43 HA PRO 43 10.191 -2.167 -7.438
322 HB2 PRO 43 HB2 PRO 43 7.962 -3.425 -6.340
323 HB3 PRO 43 HB1 PRO 43 7.896 -2.226 -7.639
324 HG2 PRO 43 HG2 PRO 43 7.891 -5.240 -7.840
325 HG3 PRO 43 HG1 PRO 43 6.838 -4.056 -8.658
326 HD2 PRO 43 HD2 PRO 43 8.914 -5.133 -9.958
327 HD3 PRO 43 HD1 PRO 43 8.539 -3.407 -10.155
328 H SER 44 HN SER 44 10.836 -5.624 -7.301
329 HA SER 44 HA SER 44 11.729 -5.409 -4.522
330 HB2 SER 44 HB2 SER 44 10.296 -7.327 -3.754
331 HB3 SER 44 HB1 SER 44 9.345 -5.913 -4.197
332 HG SER 44 HG SER 44 8.303 -7.325 -5.364
333 H LEU 45 HN LEU 45 12.538 -7.506 -3.722
334 HA LEU 45 HA LEU 45 14.206 -8.891 -5.706
335 HB2 LEU 45 HB2 LEU 45 14.714 -7.974 -3.151
336 HB3 LEU 45 HB1 LEU 45 14.273 -9.623 -2.775
337 HG LEU 45 HG LEU 45 16.577 -8.736 -4.554
338 HD11 LEU 45 HD11 LEU 45 16.997 -8.311 -2.179
339 HD12 LEU 45 HD12 LEU 45 18.032 -9.605 -2.772
340 HD13 LEU 45 HD13 LEU 45 16.617 -9.992 -1.791
341 HD21 LEU 45 HD21 LEU 45 17.267 -11.089 -4.640
342 HD22 LEU 45 HD22 LEU 45 15.690 -10.856 -5.386
343 HD23 LEU 45 HD23 LEU 45 15.800 -11.563 -3.772
344 H LEU 46 HN LEU 46 11.616 -9.406 -6.163
345 HA LEU 46 HA LEU 46 11.164 -12.205 -5.526
346 HB2 LEU 46 HB2 LEU 46 9.066 -10.038 -4.988
347 HB3 LEU 46 HB1 LEU 46 8.644 -11.717 -5.232
348 HG LEU 46 HG LEU 46 8.514 -11.427 -2.909
349 HD11 LEU 46 HD11 LEU 46 10.266 -12.809 -1.922
350 HD12 LEU 46 HD12 LEU 46 11.270 -12.591 -3.355
351 HD13 LEU 46 HD13 LEU 46 9.738 -13.458 -3.474
352 HD21 LEU 46 HD21 LEU 46 11.165 -9.960 -2.879
353 HD22 LEU 46 HD22 LEU 46 10.158 -10.321 -1.475
354 HD23 LEU 46 HD23 LEU 46 9.570 -9.227 -2.724
355 H THR 47 HN THR 47 9.748 -9.287 -6.990
356 HA THR 47 HA THR 47 8.887 -10.475 -9.407
357 HB THR 47 HB THR 47 8.790 -8.018 -10.182
358 HG1 THR 47 HG1 THR 47 9.077 -7.000 -7.678
359 HG21 THR 47 HG21 THR 47 6.931 -7.435 -8.660
360 HG22 THR 47 HG22 THR 47 7.447 -8.691 -7.533
361 HG23 THR 47 HG23 THR 47 6.838 -9.135 -9.130
362 H LEU 48 HN LEU 48 11.954 -8.831 -8.523
363 HA LEU 48 HA LEU 48 13.119 -9.086 -11.100
364 HB2 LEU 48 HB2 LEU 48 13.905 -7.634 -9.091
365 HB3 LEU 48 HB1 LEU 48 14.671 -9.087 -8.487
366 HG LEU 48 HG LEU 48 16.190 -7.455 -9.720
367 HD11 LEU 48 HD11 LEU 48 16.161 -10.260 -10.879
368 HD12 LEU 48 HD12 LEU 48 16.931 -9.765 -9.370
369 HD13 LEU 48 HD13 LEU 48 17.515 -9.125 -10.904
370 HD21 LEU 48 HD21 LEU 48 16.172 -7.405 -12.160
371 HD22 LEU 48 HD22 LEU 48 14.650 -6.803 -11.511
372 HD23 LEU 48 HD23 LEU 48 14.738 -8.428 -12.197
373 H THR 49 HN THR 49 12.940 -11.249 -8.322
374 HA THR 49 HA THR 49 14.829 -13.188 -9.107
375 HB THR 49 HB THR 49 12.356 -13.583 -7.360
376 HG1 THR 49 HG1 THR 49 13.739 -12.986 -5.660
377 HG21 THR 49 HG21 THR 49 13.655 -15.378 -6.274
378 HG22 THR 49 HG22 THR 49 14.992 -15.109 -7.392
379 HG23 THR 49 HG23 THR 49 13.453 -15.723 -7.995
380 H GLU 50 HN GLU 50 11.313 -12.994 -9.576
381 HA GLU 50 HA GLU 50 10.978 -15.477 -10.906
382 HB2 GLU 50 HB2 GLU 50 8.734 -14.776 -11.455
383 HB3 GLU 50 HB1 GLU 50 9.093 -14.198 -9.834
384 HG2 GLU 50 HG2 GLU 50 9.430 -11.941 -10.649
385 HG3 GLU 50 HG1 GLU 50 9.256 -12.473 -12.314
386 H HIS 51 HN HIS 51 11.616 -12.195 -12.101
387 HA HIS 51 HA HIS 51 11.506 -12.655 -14.882
388 HB2 HIS 51 HB2 HIS 51 11.486 -10.379 -14.225
389 HB3 HIS 51 HB1 HIS 51 12.846 -10.571 -13.130
390 HD1 HIS 51 HD1 HIS 51 12.199 -10.502 -16.897
391 HD2 HIS 51 HD2 HIS 51 15.222 -9.775 -14.146
392 HE1 HIS 51 HE1 HIS 51 14.140 -9.574 -18.213
393 H LYS 52 HN LYS 52 14.091 -12.947 -12.532
394 HA LYS 52 HA LYS 52 16.246 -13.209 -14.353
395 HB2 LYS 52 HB2 LYS 52 16.403 -12.373 -11.990
396 HB3 LYS 52 HB1 LYS 52 16.144 -14.018 -11.423
397 HG2 LYS 52 HG2 LYS 52 18.253 -14.700 -12.646
398 HG3 LYS 52 HG1 LYS 52 18.509 -12.999 -13.042
399 HD2 LYS 52 HD2 LYS 52 19.858 -13.666 -11.091
400 HD3 LYS 52 HD1 LYS 52 18.668 -12.436 -10.654
401 HE2 LYS 52 HE2 LYS 52 17.213 -14.164 -9.679
402 HE3 LYS 52 HE1 LYS 52 18.350 -15.423 -10.165
403 HZ1 LYS 52 HZ1 LYS 52 18.646 -14.891 -7.867
404 HZ2 LYS 52 HZ2 LYS 52 18.839 -13.254 -8.213
405 HZ3 LYS 52 HZ3 LYS 52 20.002 -14.366 -8.723
406 H VAL 53 HN VAL 53 14.168 -15.597 -12.728
407 HA VAL 53 HA VAL 53 15.819 -17.844 -13.476
408 HB VAL 53 HB VAL 53 14.080 -19.240 -12.432
409 HG11 VAL 53 HG11 VAL 53 15.842 -18.299 -11.007
410 HG12 VAL 53 HG12 VAL 53 14.334 -18.415 -10.101
411 HG13 VAL 53 HG13 VAL 53 14.871 -16.853 -10.724
412 HG21 VAL 53 HG21 VAL 53 12.129 -18.232 -11.277
413 HG22 VAL 53 HG22 VAL 53 12.044 -17.992 -13.020
414 HG23 VAL 53 HG23 VAL 53 12.535 -16.660 -11.975
415 H THR 54 HN THR 54 12.855 -16.343 -14.692
416 HA THR 54 HA THR 54 12.560 -18.309 -16.869
417 HB THR 54 HB THR 54 10.460 -17.045 -17.429
418 HG1 THR 54 HG1 THR 54 10.392 -15.663 -15.052
419 HG21 THR 54 HG21 THR 54 9.142 -17.721 -15.456
420 HG22 THR 54 HG22 THR 54 10.624 -17.912 -14.522
421 HG23 THR 54 HG23 THR 54 10.307 -18.973 -15.895
422 H HIS 55 HN HIS 55 14.946 -16.950 -17.195
423 HA HIS 55 HA HIS 55 14.583 -14.246 -18.155
424 HB2 HIS 55 HB2 HIS 55 16.539 -15.256 -16.657
425 HB3 HIS 55 HB1 HIS 55 17.257 -15.691 -18.206
426 HD1 HIS 55 HD1 HIS 55 17.766 -13.577 -19.849
427 HD2 HIS 55 HD2 HIS 55 16.756 -12.693 -15.924
428 HE1 HIS 55 HE1 HIS 55 18.391 -11.155 -19.478
Start of MODEL 10
1 H1 MET 1 HT1 MET 1 -9.003 19.652 -2.770
2 H2 MET 1 HT2 MET 1 -7.545 18.879 -3.122
3 H3 MET 1 HT3 MET 1 -8.323 19.784 -4.317
4 HA MET 1 HA MET 1 -6.424 20.941 -3.399
5 HB2 MET 1 HB2 MET 1 -9.118 22.211 -2.719
6 HB3 MET 1 HB1 MET 1 -7.595 23.085 -2.830
7 HG2 MET 1 HG2 MET 1 -7.441 22.440 -5.229
8 HG3 MET 1 HG1 MET 1 -9.028 21.684 -5.096
9 HE1 MET 1 HE1 MET 1 -8.341 26.231 -4.506
10 HE2 MET 1 HE2 MET 1 -7.039 25.119 -4.921
11 HE3 MET 1 HE3 MET 1 -7.814 25.022 -3.340
12 H GLY 2 HN GLY 2 -5.213 21.526 -1.624
13 HA2 GLY 2 HA2 GLY 2 -5.729 22.513 0.742
14 HA3 GLY 2 HA1 GLY 2 -6.232 20.857 1.059
15 H SER 3 HN SER 3 -4.691 20.497 2.583
16 HA SER 3 HA SER 3 -2.030 19.827 1.815
17 HB2 SER 3 HB2 SER 3 -2.451 22.120 3.820
18 HB3 SER 3 HB1 SER 3 -0.916 21.312 3.514
19 HG SER 3 HG SER 3 -1.319 22.004 1.243
20 H HIS 4 HN HIS 4 -2.118 17.776 2.829
21 HA HIS 4 HA HIS 4 -3.905 17.465 5.138
22 HB2 HIS 4 HB2 HIS 4 -3.019 15.691 2.845
23 HB3 HIS 4 HB1 HIS 4 -3.515 14.927 4.341
24 HD1 HIS 4 HD1 HIS 4 -5.913 14.308 4.339
25 HD2 HIS 4 HD2 HIS 4 -5.198 17.639 1.961
26 HE1 HIS 4 HE1 HIS 4 -8.138 14.919 3.343
27 HE2 HIS 4 HE2 HIS 4 -7.656 16.858 1.818
28 H LYS 5 HN LYS 5 -3.171 15.878 6.754
29 HA LYS 5 HA LYS 5 -0.330 16.309 7.402
30 HB2 LYS 5 HB2 LYS 5 -1.950 17.225 9.016
31 HB3 LYS 5 HB1 LYS 5 -2.727 15.656 9.173
32 HG2 LYS 5 HG2 LYS 5 -0.853 14.737 10.352
33 HG3 LYS 5 HG1 LYS 5 0.173 16.110 9.939
34 HD2 LYS 5 HD2 LYS 5 -0.561 16.226 12.295
35 HD3 LYS 5 HD1 LYS 5 -1.181 17.593 11.370
36 HE2 LYS 5 HE2 LYS 5 -2.915 16.748 12.853
37 HE3 LYS 5 HE1 LYS 5 -3.383 16.436 11.182
38 HZ1 LYS 5 HZ1 LYS 5 -2.220 14.478 13.085
39 HZ2 LYS 5 HZ2 LYS 5 -2.580 14.150 11.466
40 HZ3 LYS 5 HZ3 LYS 5 -3.818 14.537 12.546
41 H CYS 6 HN CYS 6 0.981 14.596 7.074
42 HA CYS 6 HA CYS 6 0.063 11.943 6.628
43 HB2 CYS 6 HB2 CYS 6 2.202 12.866 5.683
44 HB3 CYS 6 HB1 CYS 6 2.900 12.847 7.301
45 H ASN 7 HN ASN 7 -1.139 11.262 8.407
46 HA ASN 7 HA ASN 7 -0.586 11.188 11.092
47 HB2 ASN 7 HB2 ASN 7 -2.675 10.334 10.017
48 HB3 ASN 7 HB1 ASN 7 -1.801 8.925 9.432
49 HD21 ASN 7 HD21 ASN 7 -1.200 7.295 10.959
50 HD22 ASN 7 HD22 ASN 7 -1.947 7.191 12.514
51 H VAL 8 HN VAL 8 0.920 9.277 8.576
52 HA VAL 8 HA VAL 8 2.194 7.305 10.180
53 HB VAL 8 HB VAL 8 3.201 8.288 7.467
54 HG11 VAL 8 HG11 VAL 8 3.437 5.589 8.845
55 HG12 VAL 8 HG12 VAL 8 4.725 6.773 8.615
56 HG13 VAL 8 HG13 VAL 8 4.021 5.964 7.216
57 HG21 VAL 8 HG21 VAL 8 0.792 7.848 7.262
58 HG22 VAL 8 HG22 VAL 8 0.999 6.238 7.957
59 HG23 VAL 8 HG23 VAL 8 1.722 6.627 6.392
60 H CYS 9 HN CYS 9 3.413 10.388 8.780
61 HA CYS 9 HA CYS 9 5.879 10.215 10.394
62 HB2 CYS 9 HB2 CYS 9 5.111 12.356 8.363
63 HB3 CYS 9 HB1 CYS 9 6.660 12.210 9.182
64 H SER 10 HN SER 10 3.951 13.107 9.599
65 HA SER 10 HA SER 10 2.872 13.885 11.997
66 HB2 SER 10 HB2 SER 10 5.765 14.878 11.772
67 HB3 SER 10 HB1 SER 10 4.566 15.618 12.828
68 HG SER 10 HG SER 10 4.420 13.372 13.719
69 H ARG 11 HN ARG 11 4.920 15.106 9.300
70 HA ARG 11 HA ARG 11 3.776 17.746 9.483
71 HB2 ARG 11 HB2 ARG 11 6.248 17.153 9.305
72 HB3 ARG 11 HB1 ARG 11 5.948 16.634 7.660
73 HG2 ARG 11 HG2 ARG 11 6.971 18.823 7.725
74 HG3 ARG 11 HG1 ARG 11 5.355 18.893 7.026
75 HD2 ARG 11 HD2 ARG 11 5.652 20.808 8.486
76 HD3 ARG 11 HD1 ARG 11 4.472 19.719 9.210
77 HE ARG 11 HE ARG 11 7.072 19.168 10.219
78 HH11 ARG 11 HH11 ARG 11 4.473 21.533 10.542
79 HH12 ARG 11 HH12 ARG 11 4.992 22.055 12.114
80 HH21 ARG 11 HH21 ARG 11 7.738 19.888 12.271
81 HH22 ARG 11 HH22 ARG 11 6.838 21.125 13.093
82 H THR 12 HN THR 12 3.809 18.644 6.874
83 HA THR 12 HA THR 12 1.549 17.286 5.604
84 HB THR 12 HB THR 12 0.592 19.053 7.080
85 HG1 THR 12 HG1 THR 12 -0.684 19.061 5.388
86 HG21 THR 12 HG21 THR 12 1.082 21.438 6.700
87 HG22 THR 12 HG22 THR 12 2.315 21.002 5.513
88 HG23 THR 12 HG23 THR 12 2.533 20.573 7.213
89 H PHE 13 HN PHE 13 1.295 17.893 3.370
90 HA PHE 13 HA PHE 13 3.678 19.116 2.097
91 HB2 PHE 13 HB2 PHE 13 2.888 16.666 1.508
92 HB3 PHE 13 HB1 PHE 13 1.612 17.449 0.586
93 HD1 PHE 13 HD1 PHE 13 2.373 19.155 -1.263
94 HD2 PHE 13 HD2 PHE 13 5.034 16.340 0.532
95 HE1 PHE 13 HE1 PHE 13 3.920 19.403 -3.153
96 HE2 PHE 13 HE2 PHE 13 6.577 16.586 -1.369
97 HZ PHE 13 HZ PHE 13 6.027 18.123 -3.214
98 H PHE 14 HN PHE 14 3.423 20.904 0.840
99 HA PHE 14 HA PHE 14 1.487 22.778 1.129
100 HB2 PHE 14 HB2 PHE 14 3.218 22.302 -1.329
101 HB3 PHE 14 HB1 PHE 14 2.366 23.804 -0.992
102 HD1 PHE 14 HD2 PHE 14 3.088 25.273 0.878
103 HD2 PHE 14 HD1 PHE 14 5.285 21.738 -0.121
104 HE1 PHE 14 HE2 PHE 14 5.006 26.086 2.184
105 HE2 PHE 14 HE1 PHE 14 7.190 22.557 1.202
106 HZ PHE 14 HZ PHE 14 7.058 24.731 2.357
107 H SER 15 HN SER 15 1.438 20.220 -1.331
108 HA SER 15 HA SER 15 -1.275 21.016 -2.160
109 HB2 SER 15 HB2 SER 15 -0.848 19.550 -4.154
110 HB3 SER 15 HB1 SER 15 0.277 20.901 -4.041
111 HG SER 15 HG SER 15 1.620 19.258 -4.383
112 H GLU 16 HN GLU 16 -2.957 19.637 -1.821
113 HA GLU 16 HA GLU 16 -2.994 17.455 -0.104
114 HB2 GLU 16 HB2 GLU 16 -5.010 18.668 -0.739
115 HB3 GLU 16 HB1 GLU 16 -4.844 18.160 -2.418
116 HG2 GLU 16 HG2 GLU 16 -5.271 15.828 -1.762
117 HG3 GLU 16 HG1 GLU 16 -5.421 16.317 -0.072
118 H ASN 17 HN ASN 17 -2.807 17.508 -3.657
119 HA ASN 17 HA ASN 17 -2.683 14.793 -4.291
120 HB2 ASN 17 HB2 ASN 17 -1.417 17.223 -5.630
121 HB3 ASN 17 HB1 ASN 17 -1.391 15.619 -6.352
122 HD21 ASN 17 HD21 ASN 17 -2.499 16.735 -8.124
123 HD22 ASN 17 HD22 ASN 17 -4.213 16.948 -8.049
124 H GLY 18 HN GLY 18 -0.228 16.947 -3.035
125 HA2 GLY 18 HA2 GLY 18 2.072 15.351 -3.699
126 HA3 GLY 18 HA1 GLY 18 2.034 16.780 -2.683
127 H LEU 19 HN LEU 19 0.190 15.980 -0.687
128 HA LEU 19 HA LEU 19 1.737 14.310 0.984
129 HB2 LEU 19 HB2 LEU 19 -0.014 16.081 1.649
130 HB3 LEU 19 HB1 LEU 19 -1.234 14.870 1.378
131 HG LEU 19 HG LEU 19 -0.586 15.201 3.793
132 HD11 LEU 19 HD11 LEU 19 -0.519 12.869 4.480
133 HD12 LEU 19 HD12 LEU 19 -0.137 12.373 2.829
134 HD13 LEU 19 HD13 LEU 19 -1.693 13.125 3.189
135 HD21 LEU 19 HD21 LEU 19 1.809 15.609 3.470
136 HD22 LEU 19 HD22 LEU 19 2.045 13.914 3.036
137 HD23 LEU 19 HD23 LEU 19 1.509 14.341 4.660
138 H ARG 20 HN ARG 20 -1.255 13.681 -0.816
139 HA ARG 20 HA ARG 20 -1.652 10.976 -0.428
140 HB2 ARG 20 HB2 ARG 20 -2.001 12.535 -2.994
141 HB3 ARG 20 HB1 ARG 20 -2.641 10.915 -2.718
142 HG2 ARG 20 HG2 ARG 20 -3.982 11.813 -0.805
143 HG3 ARG 20 HG1 ARG 20 -3.411 13.435 -1.215
144 HD2 ARG 20 HD2 ARG 20 -4.400 13.192 -3.460
145 HD3 ARG 20 HD1 ARG 20 -4.988 11.591 -3.006
146 HE ARG 20 HE ARG 20 -5.931 13.504 -1.160
147 HH11 ARG 20 HH11 ARG 20 -6.454 12.531 -4.481
148 HH12 ARG 20 HH12 ARG 20 -8.112 13.034 -4.497
149 HH21 ARG 20 HH21 ARG 20 -8.121 14.169 -1.195
150 HH22 ARG 20 HH22 ARG 20 -9.050 13.965 -2.646
151 H GLU 21 HN GLU 21 0.486 12.500 -2.799
152 HA GLU 21 HA GLU 21 1.473 10.187 -4.081
153 HB2 GLU 21 HB2 GLU 21 1.569 12.455 -5.066
154 HB3 GLU 21 HB1 GLU 21 2.705 12.961 -3.820
155 HG2 GLU 21 HG2 GLU 21 4.373 11.345 -4.713
156 HG3 GLU 21 HG1 GLU 21 3.231 10.896 -5.983
157 H HIS 22 HN HIS 22 2.592 12.052 -1.329
158 HA HIS 22 HA HIS 22 5.046 10.696 -0.816
159 HB2 HIS 22 HB2 HIS 22 4.866 12.923 0.001
160 HB3 HIS 22 HB1 HIS 22 3.279 12.652 0.697
161 HD1 HIS 22 HD1 HIS 22 6.948 12.025 1.431
162 HD2 HIS 22 HD2 HIS 22 3.248 11.840 3.296
163 HE1 HIS 22 HE1 HIS 22 7.399 11.590 3.879
164 H LEU 23 HN LEU 23 1.726 10.275 0.293
165 HA LEU 23 HA LEU 23 2.092 8.478 2.394
166 HB2 LEU 23 HB2 LEU 23 0.078 9.935 1.654
167 HB3 LEU 23 HB1 LEU 23 -0.354 8.601 0.606
168 HG LEU 23 HG LEU 23 -0.079 8.278 3.620
169 HD11 LEU 23 HD11 LEU 23 -1.719 10.048 3.177
170 HD12 LEU 23 HD12 LEU 23 -2.502 8.605 3.813
171 HD13 LEU 23 HD13 LEU 23 -2.603 8.975 2.089
172 HD21 LEU 23 HD21 LEU 23 -1.583 6.620 1.565
173 HD22 LEU 23 HD22 LEU 23 -1.579 6.335 3.308
174 HD23 LEU 23 HD23 LEU 23 -0.088 6.160 2.383
175 H GLN 24 HN GLN 24 1.791 7.954 -1.083
176 HA GLN 24 HA GLN 24 1.223 5.240 -1.240
177 HB2 GLN 24 HB2 GLN 24 3.045 6.760 -3.154
178 HB3 GLN 24 HB1 GLN 24 2.146 5.290 -3.503
179 HG2 GLN 24 HG2 GLN 24 0.024 6.572 -3.198
180 HG3 GLN 24 HG1 GLN 24 0.988 8.036 -2.979
181 HE21 GLN 24 HE21 GLN 24 2.268 8.772 -4.800
182 HE22 GLN 24 HE22 GLN 24 1.798 8.375 -6.414
183 H THR 25 HN THR 25 4.156 6.740 -0.234
184 HA THR 25 HA THR 25 6.005 4.680 -1.079
185 HB THR 25 HB THR 25 7.731 6.033 -0.038
186 HG1 THR 25 HG1 THR 25 6.353 8.106 0.953
187 HG21 THR 25 HG21 THR 25 7.419 8.227 -1.133
188 HG22 THR 25 HG22 THR 25 5.697 7.892 -1.322
189 HG23 THR 25 HG23 THR 25 6.885 6.917 -2.189
190 H HIS 26 HN HIS 26 4.043 5.331 1.700
191 HA HIS 26 HA HIS 26 5.748 4.068 3.655
192 HB2 HIS 26 HB2 HIS 26 2.944 5.212 3.796
193 HB3 HIS 26 HB1 HIS 26 3.704 4.416 5.171
194 HD1 HIS 26 HD1 HIS 26 6.348 5.484 5.491
195 HD2 HIS 26 HD2 HIS 26 3.275 7.891 4.050
196 HE1 HIS 26 HE1 HIS 26 7.015 7.863 5.982
197 H ARG 27 HN ARG 27 2.957 3.091 1.728
198 HA ARG 27 HA ARG 27 2.811 0.457 2.955
199 HB2 ARG 27 HB2 ARG 27 1.449 1.539 0.439
200 HB3 ARG 27 HB1 ARG 27 0.982 0.102 1.348
201 HG2 ARG 27 HG2 ARG 27 0.307 1.487 3.258
202 HG3 ARG 27 HG1 ARG 27 0.865 2.943 2.430
203 HD2 ARG 27 HD2 ARG 27 -0.841 2.542 0.652
204 HD3 ARG 27 HD1 ARG 27 -1.429 1.146 1.565
205 HE ARG 27 HE ARG 27 -1.496 3.292 3.318
206 HH11 ARG 27 HH11 ARG 27 -3.050 2.484 0.272
207 HH12 ARG 27 HH12 ARG 27 -4.455 3.445 0.598
208 HH21 ARG 27 HH21 ARG 27 -3.357 4.539 3.736
209 HH22 ARG 27 HH22 ARG 27 -4.636 4.594 2.563
210 H GLY 28 HN GLY 28 5.407 1.163 1.876
211 HA2 GLY 28 HA2 GLY 28 7.098 0.229 0.629
212 HA3 GLY 28 HA1 GLY 28 5.956 -0.933 -0.032
213 HA PRO 29 HA PRO 29 6.738 2.376 -3.347
214 HB2 PRO 29 HB2 PRO 29 8.002 0.784 -5.201
215 HB3 PRO 29 HB1 PRO 29 8.885 1.749 -4.007
216 HG2 PRO 29 HG2 PRO 29 8.202 -1.185 -3.952
217 HG3 PRO 29 HG1 PRO 29 9.718 -0.376 -3.492
218 HD2 PRO 29 HD2 PRO 29 7.876 -1.198 -1.643
219 HD3 PRO 29 HD1 PRO 29 8.904 0.230 -1.393
220 H ALA 30 HN ALA 30 4.645 2.488 -4.072
221 HA ALA 30 HA ALA 30 2.845 0.528 -4.655
222 HB1 ALA 30 HB1 ALA 30 1.522 2.217 -5.811
223 HB2 ALA 30 HB2 ALA 30 2.934 3.264 -5.961
224 HB3 ALA 30 HB3 ALA 30 2.269 2.899 -4.368
225 H LYS 31 HN LYS 31 4.289 -0.975 -5.698
226 HA LYS 31 HA LYS 31 3.653 -1.257 -8.524
227 HB2 LYS 31 HB2 LYS 31 6.396 -1.820 -7.287
228 HB3 LYS 31 HB1 LYS 31 5.918 -2.266 -8.923
229 HG2 LYS 31 HG2 LYS 31 5.778 0.085 -9.562
230 HG3 LYS 31 HG1 LYS 31 6.095 0.579 -7.904
231 HD2 LYS 31 HD2 LYS 31 8.144 0.887 -9.096
232 HD3 LYS 31 HD1 LYS 31 8.362 -0.536 -8.083
233 HE2 LYS 31 HE2 LYS 31 7.683 -0.631 -11.042
234 HE3 LYS 31 HE1 LYS 31 9.315 -0.764 -10.391
235 HZ1 LYS 31 HZ1 LYS 31 8.511 -2.927 -10.824
236 HZ2 LYS 31 HZ2 LYS 31 7.068 -2.664 -9.998
237 HZ3 LYS 31 HZ3 LYS 31 8.524 -2.757 -9.144
238 H HIS 32 HN HIS 32 2.708 -2.124 -5.829
239 HA HIS 32 HA HIS 32 3.516 -4.952 -5.573
240 HB2 HIS 32 HB2 HIS 32 2.831 -4.665 -3.154
241 HB3 HIS 32 HB1 HIS 32 4.196 -3.672 -3.639
242 HD1 HIS 32 HD1 HIS 32 0.401 -3.198 -3.331
243 HD2 HIS 32 HD2 HIS 32 3.953 -1.124 -2.727
244 HE1 HIS 32 HE1 HIS 32 -0.267 -0.967 -2.399
245 HE2 HIS 32 HE2 HIS 32 1.905 0.224 -1.930
246 H TYR 33 HN TYR 33 1.872 -6.385 -4.633
247 HA TYR 33 HA TYR 33 -0.843 -5.840 -5.661
248 HB2 TYR 33 HB2 TYR 33 0.770 -8.430 -5.766
249 HB3 TYR 33 HB1 TYR 33 -0.936 -8.313 -6.201
250 HD1 TYR 33 HD1 TYR 33 2.498 -7.241 -7.177
251 HD2 TYR 33 HD2 TYR 33 -1.607 -7.351 -8.357
252 HE1 TYR 33 HE1 TYR 33 3.130 -6.507 -9.430
253 HE2 TYR 33 HE2 TYR 33 -0.965 -6.631 -10.619
254 HH TYR 33 HH TYR 33 2.271 -6.595 -11.700
255 H MET 34 HN MET 34 -2.520 -6.282 -4.371
256 HA MET 34 HA MET 34 -1.949 -7.093 -1.575
257 HB2 MET 34 HB2 MET 34 -2.537 -4.660 -2.001
258 HB3 MET 34 HB1 MET 34 -4.103 -5.177 -2.597
259 HG2 MET 34 HG2 MET 34 -4.716 -5.998 -0.389
260 HG3 MET 34 HG1 MET 34 -3.098 -5.640 0.229
261 HE1 MET 34 HE1 MET 34 -5.752 -4.513 1.692
262 HE2 MET 34 HE2 MET 34 -5.283 -2.842 1.992
263 HE3 MET 34 HE3 MET 34 -4.121 -4.140 2.251
264 H CYS 35 HN CYS 35 -3.340 -8.531 -0.598
265 HA CYS 35 HA CYS 35 -4.598 -10.502 -2.147
266 HB2 CYS 35 HB2 CYS 35 -3.788 -11.155 -0.033
267 HB3 CYS 35 HB1 CYS 35 -4.572 -9.854 0.787
268 HA PRO 36 HA PRO 36 -8.783 -8.761 -2.723
269 HB2 PRO 36 HB2 PRO 36 -9.531 -11.645 -3.164
270 HB3 PRO 36 HB1 PRO 36 -9.808 -10.237 -4.202
271 HG2 PRO 36 HG2 PRO 36 -7.926 -12.009 -4.850
272 HG3 PRO 36 HG1 PRO 36 -7.640 -10.268 -5.064
273 HD2 PRO 36 HD2 PRO 36 -6.669 -12.081 -2.846
274 HD3 PRO 36 HD1 PRO 36 -5.773 -10.850 -3.773
275 H ILE 37 HN ILE 37 -8.362 -11.811 -0.830
276 HA ILE 37 HA ILE 37 -10.923 -11.564 0.416
277 HB ILE 37 HB ILE 37 -8.650 -13.485 1.064
278 HG12 ILE 37 HG12 ILE 37 -11.003 -13.897 -0.866
279 HG13 ILE 37 HG11 ILE 37 -9.345 -13.568 -1.363
280 HG21 ILE 37 HG21 ILE 37 -11.628 -13.710 1.658
281 HG22 ILE 37 HG22 ILE 37 -10.356 -13.405 2.837
282 HG23 ILE 37 HG23 ILE 37 -10.417 -14.950 1.995
283 HD11 ILE 37 HD11 ILE 37 -10.276 -16.010 0.143
284 HD12 ILE 37 HD12 ILE 37 -8.622 -15.688 -0.386
285 HD13 ILE 37 HD13 ILE 37 -9.900 -15.920 -1.576
286 H CYS 38 HN CYS 38 -7.611 -11.600 1.918
287 HA CYS 38 HA CYS 38 -8.674 -9.846 4.022
288 HB2 CYS 38 HB2 CYS 38 -7.028 -10.985 5.560
289 HB3 CYS 38 HB1 CYS 38 -8.399 -11.922 5.045
290 H GLY 39 HN GLY 39 -6.605 -9.544 1.509
291 HA2 GLY 39 HA2 GLY 39 -5.437 -7.770 0.843
292 HA3 GLY 39 HA1 GLY 39 -6.137 -6.886 2.196
293 H GLU 40 HN GLU 40 -3.977 -9.595 2.656
294 HA GLU 40 HA GLU 40 -1.806 -8.360 3.773
295 HB2 GLU 40 HB2 GLU 40 -1.902 -10.896 2.091
296 HB3 GLU 40 HB1 GLU 40 -0.467 -10.372 2.952
297 HG2 GLU 40 HG2 GLU 40 -1.633 -12.107 4.163
298 HG3 GLU 40 HG1 GLU 40 -1.607 -10.612 5.088
299 H ARG 41 HN ARG 41 0.069 -7.476 3.050
300 HA ARG 41 HA ARG 41 0.130 -6.448 0.319
301 HB2 ARG 41 HB2 ARG 41 1.957 -4.991 1.203
302 HB3 ARG 41 HB1 ARG 41 0.451 -4.830 2.096
303 HG2 ARG 41 HG2 ARG 41 1.370 -6.264 3.891
304 HG3 ARG 41 HG1 ARG 41 2.888 -6.397 3.007
305 HD2 ARG 41 HD2 ARG 41 1.702 -3.800 4.035
306 HD3 ARG 41 HD1 ARG 41 2.955 -4.733 4.855
307 HE ARG 41 HE ARG 41 3.609 -3.976 2.139
308 HH11 ARG 41 HH11 ARG 41 3.759 -2.973 5.501
309 HH12 ARG 41 HH12 ARG 41 5.099 -1.900 5.245
310 HH21 ARG 41 HH21 ARG 41 5.386 -2.570 1.823
311 HH22 ARG 41 HH22 ARG 41 6.009 -1.666 3.167
312 H PHE 42 HN PHE 42 1.381 -7.321 -1.211
313 HA PHE 42 HA PHE 42 3.919 -8.635 -0.488
314 HB2 PHE 42 HB2 PHE 42 1.801 -9.766 -2.374
315 HB3 PHE 42 HB1 PHE 42 3.467 -10.322 -2.359
316 HD1 PHE 42 HD2 PHE 42 4.404 -11.504 -0.366
317 HD2 PHE 42 HD1 PHE 42 0.256 -10.487 -0.605
318 HE1 PHE 42 HE2 PHE 42 3.901 -13.069 1.465
319 HE2 PHE 42 HE1 PHE 42 -0.223 -12.039 1.228
320 HZ PHE 42 HZ PHE 42 1.591 -13.334 2.270
321 HA PRO 43 HA PRO 43 5.490 -5.737 -3.426
322 HB2 PRO 43 HB2 PRO 43 7.907 -6.840 -4.067
323 HB3 PRO 43 HB1 PRO 43 7.562 -6.201 -2.452
324 HG2 PRO 43 HG2 PRO 43 7.410 -9.056 -3.424
325 HG3 PRO 43 HG1 PRO 43 8.216 -8.425 -1.971
326 HD2 PRO 43 HD2 PRO 43 5.769 -9.539 -1.837
327 HD3 PRO 43 HD1 PRO 43 6.198 -8.146 -0.817
328 H SER 44 HN SER 44 4.616 -8.898 -4.506
329 HA SER 44 HA SER 44 4.746 -8.126 -7.320
330 HB2 SER 44 HB2 SER 44 6.002 -10.196 -7.965
331 HB3 SER 44 HB1 SER 44 6.969 -9.093 -6.998
332 HG SER 44 HG SER 44 7.321 -10.846 -5.868
333 H LEU 45 HN LEU 45 3.825 -9.799 -8.718
334 HA LEU 45 HA LEU 45 1.387 -10.998 -7.581
335 HB2 LEU 45 HB2 LEU 45 1.729 -9.499 -9.827
336 HB3 LEU 45 HB1 LEU 45 2.054 -11.062 -10.539
337 HG LEU 45 HG LEU 45 -0.547 -10.161 -9.235
338 HD11 LEU 45 HD11 LEU 45 -0.159 -9.180 -11.445
339 HD12 LEU 45 HD12 LEU 45 -1.506 -10.317 -11.484
340 HD13 LEU 45 HD13 LEU 45 0.067 -10.792 -12.138
341 HD21 LEU 45 HD21 LEU 45 0.025 -12.856 -10.510
342 HD22 LEU 45 HD22 LEU 45 -1.543 -12.290 -9.930
343 HD23 LEU 45 HD23 LEU 45 -0.232 -12.557 -8.787
344 H LEU 46 HN LEU 46 3.637 -12.243 -6.726
345 HA LEU 46 HA LEU 46 3.600 -14.872 -7.978
346 HB2 LEU 46 HB2 LEU 46 6.211 -13.418 -7.331
347 HB3 LEU 46 HB1 LEU 46 6.078 -15.126 -7.711
348 HG LEU 46 HG LEU 46 5.069 -14.271 -10.009
349 HD11 LEU 46 HD11 LEU 46 6.684 -11.818 -9.255
350 HD12 LEU 46 HD12 LEU 46 4.932 -11.884 -9.426
351 HD13 LEU 46 HD13 LEU 46 5.958 -12.155 -10.830
352 HD21 LEU 46 HD21 LEU 46 7.172 -15.531 -9.802
353 HD22 LEU 46 HD22 LEU 46 8.042 -14.033 -9.463
354 HD23 LEU 46 HD23 LEU 46 7.283 -14.279 -11.037
355 H THR 47 HN THR 47 5.214 -12.953 -5.431
356 HA THR 47 HA THR 47 4.930 -14.720 -3.297
357 HB THR 47 HB THR 47 5.046 -12.568 -1.866
358 HG1 THR 47 HG1 THR 47 5.783 -11.017 -4.004
359 HG21 THR 47 HG21 THR 47 7.366 -12.010 -2.543
360 HG22 THR 47 HG22 THR 47 7.148 -12.926 -4.038
361 HG23 THR 47 HG23 THR 47 7.110 -13.759 -2.482
362 H LEU 48 HN LEU 48 2.664 -12.256 -4.518
363 HA LEU 48 HA LEU 48 0.574 -12.660 -2.652
364 HB2 LEU 48 HB2 LEU 48 0.866 -10.741 -4.357
365 HB3 LEU 48 HB1 LEU 48 0.210 -11.823 -5.562
366 HG LEU 48 HG LEU 48 -1.421 -10.123 -4.653
367 HD11 LEU 48 HD11 LEU 48 -3.358 -11.569 -4.434
368 HD12 LEU 48 HD12 LEU 48 -2.324 -12.971 -4.158
369 HD13 LEU 48 HD13 LEU 48 -2.305 -12.150 -5.720
370 HD21 LEU 48 HD21 LEU 48 -2.410 -10.427 -2.424
371 HD22 LEU 48 HD22 LEU 48 -0.691 -10.050 -2.336
372 HD23 LEU 48 HD23 LEU 48 -1.243 -11.705 -2.075
373 H THR 49 HN THR 49 1.486 -14.389 -5.607
374 HA THR 49 HA THR 49 -0.906 -15.854 -6.014
375 HB THR 49 HB THR 49 1.930 -16.498 -6.924
376 HG1 THR 49 HG1 THR 49 0.819 -15.603 -8.950
377 HG21 THR 49 HG21 THR 49 0.496 -18.511 -7.107
378 HG22 THR 49 HG22 THR 49 0.862 -17.868 -8.708
379 HG23 THR 49 HG23 THR 49 -0.722 -17.582 -7.981
380 H GLU 50 HN GLU 50 2.219 -16.795 -4.431
381 HA GLU 50 HA GLU 50 1.530 -19.268 -3.466
382 HB2 GLU 50 HB2 GLU 50 3.377 -17.102 -2.468
383 HB3 GLU 50 HB1 GLU 50 3.135 -18.537 -1.476
384 HG2 GLU 50 HG2 GLU 50 5.093 -18.838 -2.791
385 HG3 GLU 50 HG1 GLU 50 3.872 -19.948 -3.363
386 H HIS 51 HN HIS 51 0.907 -16.119 -1.833
387 HA HIS 51 HA HIS 51 -0.425 -17.150 0.432
388 HB2 HIS 51 HB2 HIS 51 0.330 -14.840 0.414
389 HB3 HIS 51 HB1 HIS 51 -0.729 -14.441 -0.932
390 HD1 HIS 51 HD1 HIS 51 -1.119 -15.661 2.692
391 HD2 HIS 51 HD2 HIS 51 -3.058 -13.312 -0.130
392 HE1 HIS 51 HE1 HIS 51 -3.156 -14.704 3.843
393 H LYS 52 HN LYS 52 -1.559 -16.454 -2.792
394 HA LYS 52 HA LYS 52 -4.349 -16.309 -2.182
395 HB2 LYS 52 HB2 LYS 52 -3.160 -15.136 -4.087
396 HB3 LYS 52 HB1 LYS 52 -3.030 -16.682 -4.910
397 HG2 LYS 52 HG2 LYS 52 -5.430 -16.814 -5.155
398 HG3 LYS 52 HG1 LYS 52 -5.659 -15.399 -4.123
399 HD2 LYS 52 HD2 LYS 52 -4.398 -14.024 -5.826
400 HD3 LYS 52 HD1 LYS 52 -4.350 -15.444 -6.875
401 HE2 LYS 52 HE2 LYS 52 -6.850 -14.052 -5.897
402 HE3 LYS 52 HE1 LYS 52 -6.139 -13.873 -7.500
403 HZ1 LYS 52 HZ1 LYS 52 -7.905 -15.410 -7.661
404 HZ2 LYS 52 HZ2 LYS 52 -7.362 -16.310 -6.343
405 HZ3 LYS 52 HZ3 LYS 52 -6.479 -16.313 -7.782
406 H VAL 53 HN VAL 53 -2.191 -18.880 -3.408
407 HA VAL 53 HA VAL 53 -4.376 -20.727 -3.871
408 HB VAL 53 HB VAL 53 -2.649 -22.319 -4.593
409 HG11 VAL 53 HG11 VAL 53 -2.311 -19.568 -5.847
410 HG12 VAL 53 HG12 VAL 53 -3.558 -20.749 -6.249
411 HG13 VAL 53 HG13 VAL 53 -1.867 -21.098 -6.612
412 HG21 VAL 53 HG21 VAL 53 -0.258 -21.689 -4.761
413 HG22 VAL 53 HG22 VAL 53 -0.798 -21.715 -3.079
414 HG23 VAL 53 HG23 VAL 53 -0.601 -20.175 -3.918
415 H THR 54 HN THR 54 -1.776 -20.278 -1.482
416 HA THR 54 HA THR 54 -2.558 -22.541 0.149
417 HB THR 54 HB THR 54 -0.887 -21.745 1.788
418 HG1 THR 54 HG1 THR 54 -1.020 -19.403 0.251
419 HG21 THR 54 HG21 THR 54 -0.018 -23.023 -0.149
420 HG22 THR 54 HG22 THR 54 1.149 -21.815 0.389
421 HG23 THR 54 HG23 THR 54 0.179 -21.518 -1.052
422 H HIS 55 HN HIS 55 -4.347 -19.977 -0.404
423 HA HIS 55 HA HIS 55 -4.915 -18.762 2.037
424 HB2 HIS 55 HB2 HIS 55 -5.782 -18.366 -0.558
425 HB3 HIS 55 HB1 HIS 55 -7.237 -19.036 0.158
426 HD1 HIS 55 HD1 HIS 55 -7.970 -17.709 2.483
427 HD2 HIS 55 HD2 HIS 55 -5.480 -15.749 -0.196
428 HE1 HIS 55 HE1 HIS 55 -8.000 -15.271 3.137
Start of MODEL 11
1 H1 MET 1 HT1 MET 1 -10.502 26.021 7.145
2 H2 MET 1 HT2 MET 1 -9.222 25.420 8.059
3 H3 MET 1 HT3 MET 1 -10.690 24.590 8.031
4 HA MET 1 HA MET 1 -10.437 24.121 5.710
5 HB2 MET 1 HB2 MET 1 -9.095 26.108 5.110
6 HB3 MET 1 HB1 MET 1 -7.724 25.492 6.023
7 HG2 MET 1 HG2 MET 1 -7.533 23.585 4.454
8 HG3 MET 1 HG1 MET 1 -8.921 24.203 3.548
9 HE1 MET 1 HE1 MET 1 -8.823 26.323 1.943
10 HE2 MET 1 HE2 MET 1 -7.455 27.448 1.906
11 HE3 MET 1 HE3 MET 1 -8.456 27.319 3.351
12 H GLY 2 HN GLY 2 -7.635 24.079 7.960
13 HA2 GLY 2 HA2 GLY 2 -6.980 22.293 9.302
14 HA3 GLY 2 HA1 GLY 2 -7.967 21.194 8.349
15 H SER 3 HN SER 3 -5.978 19.851 8.537
16 HA SER 3 HA SER 3 -4.218 20.215 6.229
17 HB2 SER 3 HB2 SER 3 -3.122 19.875 9.055
18 HB3 SER 3 HB1 SER 3 -2.157 19.878 7.580
19 HG SER 3 HG SER 3 -3.345 22.071 7.348
20 H HIS 4 HN HIS 4 -5.138 18.357 5.368
21 HA HIS 4 HA HIS 4 -5.168 15.791 6.437
22 HB2 HIS 4 HB2 HIS 4 -5.822 16.512 3.980
23 HB3 HIS 4 HB1 HIS 4 -4.149 16.119 3.571
24 HD1 HIS 4 HD1 HIS 4 -7.435 14.568 3.975
25 HD2 HIS 4 HD2 HIS 4 -3.494 13.313 4.227
26 HE1 HIS 4 HE1 HIS 4 -7.504 12.072 3.833
27 HE2 HIS 4 HE2 HIS 4 -5.130 11.342 4.167
28 H LYS 5 HN LYS 5 -3.522 15.419 7.853
29 HA LYS 5 HA LYS 5 -0.730 15.880 7.134
30 HB2 LYS 5 HB2 LYS 5 -1.668 16.585 9.354
31 HB3 LYS 5 HB1 LYS 5 -1.987 14.900 9.741
32 HG2 LYS 5 HG2 LYS 5 0.485 14.462 9.554
33 HG3 LYS 5 HG1 LYS 5 0.726 16.196 9.343
34 HD2 LYS 5 HD2 LYS 5 -0.506 14.878 11.807
35 HD3 LYS 5 HD1 LYS 5 1.157 15.437 11.678
36 HE2 LYS 5 HE2 LYS 5 0.080 17.161 12.854
37 HE3 LYS 5 HE1 LYS 5 0.134 17.768 11.201
38 HZ1 LYS 5 HZ1 LYS 5 -2.206 16.418 12.431
39 HZ2 LYS 5 HZ2 LYS 5 -2.158 17.150 10.911
40 HZ3 LYS 5 HZ3 LYS 5 -2.019 18.093 12.301
41 H CYS 6 HN CYS 6 0.856 14.204 7.146
42 HA CYS 6 HA CYS 6 -0.092 11.528 6.511
43 HB2 CYS 6 HB2 CYS 6 1.844 12.552 5.307
44 HB3 CYS 6 HB1 CYS 6 2.754 12.569 6.812
45 H ASN 7 HN ASN 7 -0.895 10.557 8.292
46 HA ASN 7 HA ASN 7 -0.469 10.995 10.935
47 HB2 ASN 7 HB2 ASN 7 -2.307 9.630 10.016
48 HB3 ASN 7 HB1 ASN 7 -1.186 8.327 9.654
49 HD21 ASN 7 HD21 ASN 7 -2.818 10.087 12.217
50 HD22 ASN 7 HD22 ASN 7 -2.596 8.896 13.451
51 H VAL 8 HN VAL 8 1.367 8.661 8.981
52 HA VAL 8 HA VAL 8 2.839 7.419 11.061
53 HB VAL 8 HB VAL 8 3.666 7.756 8.135
54 HG11 VAL 8 HG11 VAL 8 5.544 6.995 9.541
55 HG12 VAL 8 HG12 VAL 8 5.014 5.704 8.472
56 HG13 VAL 8 HG13 VAL 8 4.566 5.668 10.179
57 HG21 VAL 8 HG21 VAL 8 2.060 5.500 9.406
58 HG22 VAL 8 HG22 VAL 8 2.605 5.556 7.724
59 HG23 VAL 8 HG23 VAL 8 1.442 6.742 8.316
60 H CYS 9 HN CYS 9 3.660 10.054 8.873
61 HA CYS 9 HA CYS 9 6.290 10.555 9.903
62 HB2 CYS 9 HB2 CYS 9 4.494 12.090 8.012
63 HB3 CYS 9 HB1 CYS 9 6.104 12.646 8.450
64 H SER 10 HN SER 10 3.150 11.891 10.539
65 HA SER 10 HA SER 10 2.243 13.532 11.757
66 HB2 SER 10 HB2 SER 10 4.884 13.527 13.272
67 HB3 SER 10 HB1 SER 10 3.463 14.449 13.765
68 HG SER 10 HG SER 10 2.341 12.530 14.042
69 H ARG 11 HN ARG 11 4.424 14.035 9.485
70 HA ARG 11 HA ARG 11 4.435 16.978 9.666
71 HB2 ARG 11 HB2 ARG 11 5.996 15.124 7.819
72 HB3 ARG 11 HB1 ARG 11 6.152 16.883 7.872
73 HG2 ARG 11 HG2 ARG 11 6.941 16.755 10.197
74 HG3 ARG 11 HG1 ARG 11 6.758 15.000 10.173
75 HD2 ARG 11 HD2 ARG 11 8.481 14.869 8.389
76 HD3 ARG 11 HD1 ARG 11 8.691 16.621 8.474
77 HE ARG 11 HE ARG 11 9.958 16.348 10.353
78 HH11 ARG 11 HH11 ARG 11 8.183 13.331 9.914
79 HH12 ARG 11 HH12 ARG 11 8.984 12.535 11.223
80 HH21 ARG 11 HH21 ARG 11 11.013 15.254 12.041
81 HH22 ARG 11 HH22 ARG 11 10.579 13.616 12.417
82 H THR 12 HN THR 12 4.208 18.089 7.476
83 HA THR 12 HA THR 12 1.583 17.244 6.401
84 HB THR 12 HB THR 12 1.200 19.793 6.276
85 HG1 THR 12 HG1 THR 12 2.547 21.099 7.374
86 HG21 THR 12 HG21 THR 12 0.515 19.971 8.648
87 HG22 THR 12 HG22 THR 12 1.451 18.522 9.026
88 HG23 THR 12 HG23 THR 12 0.045 18.414 7.961
89 H PHE 13 HN PHE 13 0.978 18.127 4.349
90 HA PHE 13 HA PHE 13 2.974 17.811 2.333
91 HB2 PHE 13 HB2 PHE 13 1.064 18.081 0.746
92 HB3 PHE 13 HB1 PHE 13 0.760 16.908 2.009
93 HD1 PHE 13 HD2 PHE 13 -0.098 20.366 0.886
94 HD2 PHE 13 HD1 PHE 13 -1.126 17.144 3.489
95 HE1 PHE 13 HE2 PHE 13 -2.242 21.450 1.385
96 HE2 PHE 13 HE1 PHE 13 -3.268 18.235 3.977
97 HZ PHE 13 HZ PHE 13 -3.843 20.389 2.931
98 H PHE 14 HN PHE 14 2.564 19.281 0.249
99 HA PHE 14 HA PHE 14 2.860 22.144 0.893
100 HB2 PHE 14 HB2 PHE 14 4.883 21.339 -0.191
101 HB3 PHE 14 HB1 PHE 14 3.960 20.483 -1.421
102 HD1 PHE 14 HD1 PHE 14 4.595 23.960 -0.128
103 HD2 PHE 14 HD2 PHE 14 3.550 21.536 -3.501
104 HE1 PHE 14 HE1 PHE 14 4.699 25.939 -1.589
105 HE2 PHE 14 HE2 PHE 14 3.672 23.521 -4.955
106 HZ PHE 14 HZ PHE 14 4.243 25.724 -3.998
107 H SER 15 HN SER 15 1.849 20.008 -1.801
108 HA SER 15 HA SER 15 -0.653 21.556 -2.156
109 HB2 SER 15 HB2 SER 15 -0.725 20.548 -4.414
110 HB3 SER 15 HB1 SER 15 0.803 21.393 -4.169
111 HG SER 15 HG SER 15 1.828 19.568 -4.355
112 H GLU 16 HN GLU 16 -2.598 20.211 -2.674
113 HA GLU 16 HA GLU 16 -3.063 18.441 -0.494
114 HB2 GLU 16 HB2 GLU 16 -5.361 18.203 -1.443
115 HB3 GLU 16 HB1 GLU 16 -4.849 19.880 -1.284
116 HG2 GLU 16 HG2 GLU 16 -4.399 20.026 -3.678
117 HG3 GLU 16 HG1 GLU 16 -4.752 18.312 -3.885
118 H ASN 17 HN ASN 17 -2.639 17.885 -3.980
119 HA ASN 17 HA ASN 17 -3.040 15.030 -3.872
120 HB2 ASN 17 HB2 ASN 17 -1.792 16.738 -6.065
121 HB3 ASN 17 HB1 ASN 17 -2.285 15.054 -6.231
122 HD21 ASN 17 HD21 ASN 17 -3.172 17.300 -7.783
123 HD22 ASN 17 HD22 ASN 17 -4.884 17.405 -7.589
124 H GLY 18 HN GLY 18 -0.442 17.240 -3.420
125 HA2 GLY 18 HA2 GLY 18 1.853 15.672 -3.718
126 HA3 GLY 18 HA1 GLY 18 1.680 17.019 -2.602
127 H LEU 19 HN LEU 19 -0.385 15.915 -0.942
128 HA LEU 19 HA LEU 19 1.119 14.204 0.797
129 HB2 LEU 19 HB2 LEU 19 -0.793 15.900 1.365
130 HB3 LEU 19 HB1 LEU 19 -1.900 14.603 1.015
131 HG LEU 19 HG LEU 19 -1.418 14.934 3.456
132 HD11 LEU 19 HD11 LEU 19 -2.278 12.796 2.756
133 HD12 LEU 19 HD12 LEU 19 -1.150 12.596 4.095
134 HD13 LEU 19 HD13 LEU 19 -0.646 12.198 2.447
135 HD21 LEU 19 HD21 LEU 19 0.692 14.206 4.446
136 HD22 LEU 19 HD22 LEU 19 0.939 15.556 3.340
137 HD23 LEU 19 HD23 LEU 19 1.365 13.919 2.837
138 H ARG 20 HN ARG 20 -1.506 13.739 -1.477
139 HA ARG 20 HA ARG 20 -2.179 11.053 -0.892
140 HB2 ARG 20 HB2 ARG 20 -2.462 12.440 -3.590
141 HB3 ARG 20 HB1 ARG 20 -3.403 11.075 -2.993
142 HG2 ARG 20 HG2 ARG 20 -3.490 13.929 -1.953
143 HG3 ARG 20 HG1 ARG 20 -4.730 13.109 -2.897
144 HD2 ARG 20 HD2 ARG 20 -5.013 11.486 -1.012
145 HD3 ARG 20 HD1 ARG 20 -3.868 12.439 -0.064
146 HE ARG 20 HE ARG 20 -5.611 14.323 -0.610
147 HH11 ARG 20 HH11 ARG 20 -6.321 10.992 0.271
148 HH12 ARG 20 HH12 ARG 20 -7.820 11.394 1.039
149 HH21 ARG 20 HH21 ARG 20 -7.588 14.816 0.407
150 HH22 ARG 20 HH22 ARG 20 -8.547 13.549 1.104
151 H GLU 21 HN GLU 21 0.064 12.452 -3.249
152 HA GLU 21 HA GLU 21 1.002 10.049 -4.391
153 HB2 GLU 21 HB2 GLU 21 1.243 12.300 -5.463
154 HB3 GLU 21 HB1 GLU 21 2.388 12.755 -4.204
155 HG2 GLU 21 HG2 GLU 21 3.906 10.930 -4.967
156 HG3 GLU 21 HG1 GLU 21 2.774 10.563 -6.266
157 H HIS 22 HN HIS 22 2.216 12.128 -1.784
158 HA HIS 22 HA HIS 22 4.556 10.719 -1.133
159 HB2 HIS 22 HB2 HIS 22 4.336 12.964 -0.296
160 HB3 HIS 22 HB1 HIS 22 2.802 12.610 0.488
161 HD1 HIS 22 HD1 HIS 22 6.512 11.768 0.876
162 HD2 HIS 22 HD2 HIS 22 2.993 11.852 3.076
163 HE1 HIS 22 HE1 HIS 22 7.131 11.112 3.237
164 H LEU 23 HN LEU 23 1.206 10.082 -0.304
165 HA LEU 23 HA LEU 23 1.573 8.710 2.133
166 HB2 LEU 23 HB2 LEU 23 -0.576 9.731 1.123
167 HB3 LEU 23 HB1 LEU 23 -0.727 8.231 0.223
168 HG LEU 23 HG LEU 23 -0.675 7.007 2.464
169 HD11 LEU 23 HD11 LEU 23 -1.049 9.804 3.578
170 HD12 LEU 23 HD12 LEU 23 0.350 8.759 3.831
171 HD13 LEU 23 HD13 LEU 23 -1.216 8.300 4.496
172 HD21 LEU 23 HD21 LEU 23 -2.983 8.931 2.002
173 HD22 LEU 23 HD22 LEU 23 -3.041 7.471 2.991
174 HD23 LEU 23 HD23 LEU 23 -2.794 7.344 1.251
175 H GLN 24 HN GLN 24 2.019 7.725 -1.158
176 HA GLN 24 HA GLN 24 1.490 4.962 -1.051
177 HB2 GLN 24 HB2 GLN 24 3.245 6.608 -2.886
178 HB3 GLN 24 HB1 GLN 24 2.831 4.921 -3.167
179 HG2 GLN 24 HG2 GLN 24 0.842 7.197 -2.986
180 HG3 GLN 24 HG1 GLN 24 1.458 6.485 -4.466
181 HE21 GLN 24 HE21 GLN 24 0.849 4.343 -5.016
182 HE22 GLN 24 HE22 GLN 24 -0.569 3.616 -4.352
183 H THR 25 HN THR 25 4.167 6.814 0.041
184 HA THR 25 HA THR 25 6.268 4.891 -0.114
185 HB THR 25 HB THR 25 7.510 6.427 1.378
186 HG1 THR 25 HG1 THR 25 5.725 8.430 1.578
187 HG21 THR 25 HG21 THR 25 5.912 7.940 -0.710
188 HG22 THR 25 HG22 THR 25 7.394 7.031 -1.010
189 HG23 THR 25 HG23 THR 25 7.436 8.478 0.001
190 H HIS 26 HN HIS 26 3.525 4.934 1.854
191 HA HIS 26 HA HIS 26 4.807 3.338 4.014
192 HB2 HIS 26 HB2 HIS 26 2.331 5.084 4.344
193 HB3 HIS 26 HB1 HIS 26 3.222 4.257 5.620
194 HD1 HIS 26 HD1 HIS 26 5.735 5.252 6.053
195 HD2 HIS 26 HD2 HIS 26 3.117 7.624 3.873
196 HE1 HIS 26 HE1 HIS 26 6.698 7.582 6.081
197 H ARG 27 HN ARG 27 2.347 3.501 1.588
198 HA ARG 27 HA ARG 27 0.874 1.172 2.719
199 HB2 ARG 27 HB2 ARG 27 -1.127 2.023 1.515
200 HB3 ARG 27 HB1 ARG 27 -0.519 3.187 2.688
201 HG2 ARG 27 HG2 ARG 27 0.540 4.475 0.883
202 HG3 ARG 27 HG1 ARG 27 -0.020 3.301 -0.306
203 HD2 ARG 27 HD2 ARG 27 -1.896 4.881 1.475
204 HD3 ARG 27 HD1 ARG 27 -1.385 5.432 -0.121
205 HE ARG 27 HE ARG 27 -2.351 3.135 -0.845
206 HH11 ARG 27 HH11 ARG 27 -3.744 5.136 1.684
207 HH12 ARG 27 HH12 ARG 27 -5.375 4.717 1.271
208 HH21 ARG 27 HH21 ARG 27 -4.491 2.634 -1.386
209 HH22 ARG 27 HH22 ARG 27 -5.800 3.295 -0.451
210 H GLY 28 HN GLY 28 3.185 1.628 0.531
211 HA2 GLY 28 HA2 GLY 28 2.046 0.153 -1.724
212 HA3 GLY 28 HA1 GLY 28 3.688 0.751 -1.562
213 HA PRO 29 HA PRO 29 3.676 -3.946 -0.892
214 HB2 PRO 29 HB2 PRO 29 5.859 -3.767 -2.940
215 HB3 PRO 29 HB1 PRO 29 4.530 -4.929 -2.823
216 HG2 PRO 29 HG2 PRO 29 4.493 -3.008 -4.686
217 HG3 PRO 29 HG1 PRO 29 3.002 -3.483 -3.842
218 HD2 PRO 29 HD2 PRO 29 4.762 -1.075 -3.353
219 HD3 PRO 29 HD1 PRO 29 2.987 -1.177 -3.412
220 H ALA 30 HN ALA 30 4.783 -4.414 0.901
221 HA ALA 30 HA ALA 30 7.273 -3.070 1.644
222 HB1 ALA 30 HB1 ALA 30 5.519 -3.301 3.359
223 HB2 ALA 30 HB2 ALA 30 6.966 -4.191 3.832
224 HB3 ALA 30 HB3 ALA 30 5.566 -5.059 3.190
225 H LYS 31 HN LYS 31 9.199 -3.955 1.233
226 HA LYS 31 HA LYS 31 9.901 -6.031 -0.268
227 HB2 LYS 31 HB2 LYS 31 11.472 -5.076 2.156
228 HB3 LYS 31 HB1 LYS 31 12.143 -5.943 0.781
229 HG2 LYS 31 HG2 LYS 31 11.588 -4.058 -0.707
230 HG3 LYS 31 HG1 LYS 31 10.888 -3.182 0.661
231 HD2 LYS 31 HD2 LYS 31 13.804 -4.024 0.367
232 HD3 LYS 31 HD1 LYS 31 13.175 -2.383 0.174
233 HE2 LYS 31 HE2 LYS 31 12.529 -2.324 2.531
234 HE3 LYS 31 HE1 LYS 31 13.054 -3.993 2.759
235 HZ1 LYS 31 HZ1 LYS 31 15.311 -3.284 2.180
236 HZ2 LYS 31 HZ2 LYS 31 14.718 -2.497 3.554
237 HZ3 LYS 31 HZ3 LYS 31 14.778 -1.680 2.077
238 H HIS 32 HN HIS 32 8.545 -7.844 0.160
239 HA HIS 32 HA HIS 32 8.944 -9.551 2.455
240 HB2 HIS 32 HB2 HIS 32 7.606 -10.067 -0.243
241 HB3 HIS 32 HB1 HIS 32 7.540 -11.174 1.130
242 HD1 HIS 32 HD1 HIS 32 5.403 -8.928 -0.448
243 HD2 HIS 32 HD2 HIS 32 6.486 -9.426 3.535
244 HE1 HIS 32 HE1 HIS 32 3.569 -7.869 0.890
245 HE2 HIS 32 HE2 HIS 32 4.239 -8.174 3.288
246 H TYR 33 HN TYR 33 9.379 -12.031 1.716
247 HA TYR 33 HA TYR 33 11.690 -12.251 -0.037
248 HB2 TYR 33 HB2 TYR 33 12.801 -13.642 2.024
249 HB3 TYR 33 HB1 TYR 33 13.133 -11.939 1.743
250 HD1 TYR 33 HD1 TYR 33 10.677 -14.093 3.653
251 HD2 TYR 33 HD2 TYR 33 12.929 -10.458 3.576
252 HE1 TYR 33 HE1 TYR 33 9.862 -13.537 5.905
253 HE2 TYR 33 HE2 TYR 33 12.115 -9.915 5.830
254 HH TYR 33 HH TYR 33 10.175 -10.467 7.277
255 H MET 34 HN MET 34 10.293 -13.441 -1.270
256 HA MET 34 HA MET 34 9.593 -16.164 -0.329
257 HB2 MET 34 HB2 MET 34 7.523 -14.749 -0.394
258 HB3 MET 34 HB1 MET 34 7.864 -14.331 -2.066
259 HG2 MET 34 HG2 MET 34 7.642 -16.771 -2.653
260 HG3 MET 34 HG1 MET 34 7.125 -17.067 -0.993
261 HE1 MET 34 HE1 MET 34 4.726 -14.560 -4.059
262 HE2 MET 34 HE2 MET 34 6.213 -15.428 -4.455
263 HE3 MET 34 HE3 MET 34 6.267 -14.017 -3.399
264 H CYS 35 HN CYS 35 10.693 -17.575 -1.578
265 HA CYS 35 HA CYS 35 12.451 -16.854 -3.596
266 HB2 CYS 35 HB2 CYS 35 12.665 -18.891 -2.278
267 HB3 CYS 35 HB1 CYS 35 11.212 -19.541 -2.965
268 HA PRO 36 HA PRO 36 9.724 -16.536 -7.218
269 HB2 PRO 36 HB2 PRO 36 11.672 -16.696 -9.202
270 HB3 PRO 36 HB1 PRO 36 11.346 -15.230 -8.267
271 HG2 PRO 36 HG2 PRO 36 13.478 -17.328 -7.812
272 HG3 PRO 36 HG1 PRO 36 13.630 -15.554 -7.806
273 HD2 PRO 36 HD2 PRO 36 13.449 -16.934 -5.502
274 HD3 PRO 36 HD1 PRO 36 12.662 -15.349 -5.675
275 H ILE 37 HN ILE 37 12.175 -19.144 -7.003
276 HA ILE 37 HA ILE 37 10.959 -20.704 -9.103
277 HB ILE 37 HB ILE 37 13.254 -21.412 -7.222
278 HG12 ILE 37 HG12 ILE 37 13.420 -20.134 -10.000
279 HG13 ILE 37 HG11 ILE 37 13.669 -19.263 -8.493
280 HG21 ILE 37 HG21 ILE 37 12.314 -23.358 -8.403
281 HG22 ILE 37 HG22 ILE 37 13.933 -22.994 -8.984
282 HG23 ILE 37 HG23 ILE 37 12.531 -22.540 -9.953
283 HD11 ILE 37 HD11 ILE 37 15.387 -21.493 -9.579
284 HD12 ILE 37 HD12 ILE 37 15.634 -20.670 -8.038
285 HD13 ILE 37 HD13 ILE 37 15.772 -19.771 -9.546
286 H CYS 38 HN CYS 38 11.634 -21.350 -5.598
287 HA CYS 38 HA CYS 38 9.453 -23.355 -5.622
288 HB2 CYS 38 HB2 CYS 38 10.741 -24.759 -4.231
289 HB3 CYS 38 HB1 CYS 38 11.848 -24.194 -5.462
290 H GLY 39 HN GLY 39 10.051 -20.354 -4.325
291 HA2 GLY 39 HA2 GLY 39 8.916 -19.112 -2.872
292 HA3 GLY 39 HA1 GLY 39 7.692 -20.370 -2.856
293 H GLU 40 HN GLU 40 10.909 -21.111 -1.710
294 HA GLU 40 HA GLU 40 10.262 -21.463 0.979
295 HB2 GLU 40 HB2 GLU 40 12.964 -20.888 -0.297
296 HB3 GLU 40 HB1 GLU 40 12.732 -21.451 1.357
297 HG2 GLU 40 HG2 GLU 40 11.971 -22.947 -1.158
298 HG3 GLU 40 HG1 GLU 40 13.357 -23.279 -0.132
299 H ARG 41 HN ARG 41 10.611 -20.269 2.790
300 HA ARG 41 HA ARG 41 10.791 -17.328 2.528
301 HB2 ARG 41 HB2 ARG 41 9.680 -17.287 4.737
302 HB3 ARG 41 HB1 ARG 41 8.743 -18.232 3.584
303 HG2 ARG 41 HG2 ARG 41 10.041 -20.284 4.663
304 HG3 ARG 41 HG1 ARG 41 10.297 -19.165 6.001
305 HD2 ARG 41 HD2 ARG 41 8.318 -20.548 6.411
306 HD3 ARG 41 HD1 ARG 41 7.839 -18.859 6.195
307 HE ARG 41 HE ARG 41 7.096 -19.401 3.957
308 HH11 ARG 41 HH11 ARG 41 7.689 -22.218 5.979
309 HH12 ARG 41 HH12 ARG 41 6.696 -23.254 5.009
310 HH21 ARG 41 HH21 ARG 41 5.825 -20.785 2.710
311 HH22 ARG 41 HH22 ARG 41 5.656 -22.453 3.159
312 H PHE 42 HN PHE 42 12.440 -16.232 3.550
313 HA PHE 42 HA PHE 42 14.281 -17.701 5.355
314 HB2 PHE 42 HB2 PHE 42 14.950 -16.072 2.879
315 HB3 PHE 42 HB1 PHE 42 16.098 -16.134 4.205
316 HD1 PHE 42 HD1 PHE 42 14.281 -18.282 1.749
317 HD2 PHE 42 HD2 PHE 42 17.457 -18.064 4.599
318 HE1 PHE 42 HE1 PHE 42 15.099 -20.478 1.018
319 HE2 PHE 42 HE2 PHE 42 18.271 -20.258 3.850
320 HZ PHE 42 HZ PHE 42 17.091 -21.472 2.066
321 HA PRO 43 HA PRO 43 13.804 -14.502 8.312
322 HB2 PRO 43 HB2 PRO 43 16.344 -14.093 9.337
323 HB3 PRO 43 HB1 PRO 43 15.368 -15.531 9.680
324 HG2 PRO 43 HG2 PRO 43 17.528 -15.166 7.599
325 HG3 PRO 43 HG1 PRO 43 17.310 -16.490 8.767
326 HD2 PRO 43 HD2 PRO 43 16.519 -16.775 6.226
327 HD3 PRO 43 HD1 PRO 43 15.536 -17.440 7.552
328 H SER 44 HN SER 44 15.854 -13.815 5.605
329 HA SER 44 HA SER 44 15.327 -10.952 5.866
330 HB2 SER 44 HB2 SER 44 17.729 -10.334 5.499
331 HB3 SER 44 HB1 SER 44 17.477 -11.151 7.032
332 HG SER 44 HG SER 44 19.209 -12.153 6.179
333 H LEU 45 HN LEU 45 16.054 -9.760 3.983
334 HA LEU 45 HA LEU 45 15.669 -11.193 1.441
335 HB2 LEU 45 HB2 LEU 45 14.560 -8.877 2.327
336 HB3 LEU 45 HB1 LEU 45 16.019 -8.191 1.646
337 HG LEU 45 HG LEU 45 13.882 -9.747 0.131
338 HD11 LEU 45 HD11 LEU 45 13.185 -7.482 0.760
339 HD12 LEU 45 HD12 LEU 45 13.393 -7.627 -0.982
340 HD13 LEU 45 HD13 LEU 45 14.625 -6.811 -0.013
341 HD21 LEU 45 HD21 LEU 45 15.080 -9.178 -1.932
342 HD22 LEU 45 HD22 LEU 45 16.073 -10.184 -0.878
343 HD23 LEU 45 HD23 LEU 45 16.384 -8.451 -0.987
344 H LEU 46 HN LEU 46 17.891 -11.994 2.534
345 HA LEU 46 HA LEU 46 20.134 -10.937 1.010
346 HB2 LEU 46 HB2 LEU 46 20.189 -11.169 4.062
347 HB3 LEU 46 HB1 LEU 46 21.633 -11.036 3.073
348 HG LEU 46 HG LEU 46 19.488 -8.888 3.348
349 HD11 LEU 46 HD11 LEU 46 22.294 -9.005 4.494
350 HD12 LEU 46 HD12 LEU 46 20.783 -9.086 5.402
351 HD13 LEU 46 HD13 LEU 46 21.224 -7.603 4.559
352 HD21 LEU 46 HD21 LEU 46 20.510 -8.780 1.121
353 HD22 LEU 46 HD22 LEU 46 22.126 -8.811 1.827
354 HD23 LEU 46 HD23 LEU 46 21.068 -7.429 2.107
355 H THR 47 HN THR 47 19.153 -13.148 3.628
356 HA THR 47 HA THR 47 20.592 -15.424 2.797
357 HB THR 47 HB THR 47 18.734 -16.663 4.162
358 HG1 THR 47 HG1 THR 47 18.061 -14.297 5.392
359 HG21 THR 47 HG21 THR 47 20.342 -14.479 5.535
360 HG22 THR 47 HG22 THR 47 20.940 -16.090 5.126
361 HG23 THR 47 HG23 THR 47 19.646 -15.904 6.313
362 H LEU 48 HN LEU 48 17.347 -14.257 1.901
363 HA LEU 48 HA LEU 48 16.594 -16.477 0.295
364 HB2 LEU 48 HB2 LEU 48 15.118 -14.628 1.286
365 HB3 LEU 48 HB1 LEU 48 15.640 -13.599 -0.024
366 HG LEU 48 HG LEU 48 13.317 -14.717 -0.216
367 HD11 LEU 48 HD11 LEU 48 14.302 -13.602 -2.131
368 HD12 LEU 48 HD12 LEU 48 13.439 -15.052 -2.640
369 HD13 LEU 48 HD13 LEU 48 15.205 -15.056 -2.557
370 HD21 LEU 48 HD21 LEU 48 14.954 -17.168 -0.938
371 HD22 LEU 48 HD22 LEU 48 13.204 -16.997 -1.104
372 HD23 LEU 48 HD23 LEU 48 13.942 -16.977 0.495
373 H THR 49 HN THR 49 18.579 -13.651 -0.347
374 HA THR 49 HA THR 49 18.798 -13.856 -3.177
375 HB THR 49 HB THR 49 20.809 -12.666 -1.207
376 HG1 THR 49 HG1 THR 49 19.637 -10.687 -1.704
377 HG21 THR 49 HG21 THR 49 20.336 -12.026 -4.144
378 HG22 THR 49 HG22 THR 49 21.727 -12.893 -3.493
379 HG23 THR 49 HG23 THR 49 21.473 -11.199 -3.076
380 H GLU 50 HN GLU 50 20.793 -15.029 -0.496
381 HA GLU 50 HA GLU 50 22.843 -16.344 -1.903
382 HB2 GLU 50 HB2 GLU 50 21.667 -17.163 0.791
383 HB3 GLU 50 HB1 GLU 50 23.243 -17.641 0.165
384 HG2 GLU 50 HG2 GLU 50 23.954 -15.263 0.223
385 HG3 GLU 50 HG1 GLU 50 22.393 -14.826 0.902
386 H HIS 51 HN HIS 51 19.782 -17.595 -0.645
387 HA HIS 51 HA HIS 51 19.916 -20.261 -1.453
388 HB2 HIS 51 HB2 HIS 51 18.274 -19.587 0.151
389 HB3 HIS 51 HB1 HIS 51 17.604 -18.367 -0.923
390 HD1 HIS 51 HD1 HIS 51 17.715 -22.169 -0.568
391 HD2 HIS 51 HD2 HIS 51 15.489 -19.182 -2.396
392 HE1 HIS 51 HE1 HIS 51 15.714 -23.309 -1.605
393 H LYS 52 HN LYS 52 18.786 -17.414 -3.198
394 HA LYS 52 HA LYS 52 17.434 -18.638 -5.323
395 HB2 LYS 52 HB2 LYS 52 17.280 -16.216 -4.669
396 HB3 LYS 52 HB1 LYS 52 18.877 -15.958 -5.357
397 HG2 LYS 52 HG2 LYS 52 17.974 -16.689 -7.589
398 HG3 LYS 52 HG1 LYS 52 16.370 -16.773 -6.861
399 HD2 LYS 52 HD2 LYS 52 18.089 -14.262 -7.097
400 HD3 LYS 52 HD1 LYS 52 16.729 -14.668 -8.139
401 HE2 LYS 52 HE2 LYS 52 15.848 -13.101 -6.637
402 HE3 LYS 52 HE1 LYS 52 15.303 -14.637 -5.976
403 HZ1 LYS 52 HZ1 LYS 52 17.669 -13.110 -5.030
404 HZ2 LYS 52 HZ2 LYS 52 17.048 -14.516 -4.327
405 HZ3 LYS 52 HZ3 LYS 52 16.146 -13.084 -4.298
406 H VAL 53 HN VAL 53 20.849 -17.617 -5.087
407 HA VAL 53 HA VAL 53 21.386 -18.196 -7.853
408 HB VAL 53 HB VAL 53 23.662 -17.431 -7.392
409 HG11 VAL 53 HG11 VAL 53 21.596 -15.625 -6.079
410 HG12 VAL 53 HG12 VAL 53 21.945 -15.709 -7.806
411 HG13 VAL 53 HG13 VAL 53 23.169 -15.104 -6.690
412 HG21 VAL 53 HG21 VAL 53 24.357 -16.632 -5.137
413 HG22 VAL 53 HG22 VAL 53 24.049 -18.369 -5.152
414 HG23 VAL 53 HG23 VAL 53 22.855 -17.269 -4.464
415 H THR 54 HN THR 54 22.114 -19.765 -4.751
416 HA THR 54 HA THR 54 23.610 -21.947 -6.052
417 HB THR 54 HB THR 54 24.028 -22.703 -3.643
418 HG1 THR 54 HG1 THR 54 23.249 -20.117 -2.833
419 HG21 THR 54 HG21 THR 54 25.741 -21.425 -4.864
420 HG22 THR 54 HG22 THR 54 25.713 -20.965 -3.160
421 HG23 THR 54 HG23 THR 54 24.979 -19.910 -4.372
422 H HIS 55 HN HIS 55 20.995 -22.006 -6.833
423 HA HIS 55 HA HIS 55 19.164 -23.001 -4.879
424 HB2 HIS 55 HB2 HIS 55 18.731 -21.527 -7.043
425 HB3 HIS 55 HB1 HIS 55 18.609 -23.082 -7.862
426 HD1 HIS 55 HD1 HIS 55 16.540 -24.623 -7.105
427 HD2 HIS 55 HD2 HIS 55 16.676 -20.820 -5.465
428 HE1 HIS 55 HE1 HIS 55 14.286 -24.242 -6.008
Start of MODEL 12
1 H1 MET 1 HT1 MET 1 -7.467 28.579 5.446
2 H2 MET 1 HT2 MET 1 -8.542 27.578 4.610
3 H3 MET 1 HT3 MET 1 -6.993 27.847 3.999
4 HA MET 1 HA MET 1 -5.991 26.714 5.833
5 HB2 MET 1 HB2 MET 1 -8.867 26.260 6.759
6 HB3 MET 1 HB1 MET 1 -7.467 25.443 7.446
7 HG2 MET 1 HG2 MET 1 -8.124 27.242 8.904
8 HG3 MET 1 HG1 MET 1 -6.575 27.647 8.168
9 HE1 MET 1 HE1 MET 1 -8.476 29.760 9.665
10 HE2 MET 1 HE2 MET 1 -8.398 31.134 8.564
11 HE3 MET 1 HE3 MET 1 -6.936 30.231 8.938
12 H GLY 2 HN GLY 2 -6.357 24.150 6.243
13 HA2 GLY 2 HA2 GLY 2 -7.312 22.113 5.411
14 HA3 GLY 2 HA1 GLY 2 -7.599 22.887 3.862
15 H SER 3 HN SER 3 -5.276 21.245 5.866
16 HA SER 3 HA SER 3 -3.675 20.691 3.460
17 HB2 SER 3 HB2 SER 3 -2.464 21.412 6.176
18 HB3 SER 3 HB1 SER 3 -1.564 20.875 4.758
19 HG SER 3 HG SER 3 -2.920 22.882 3.880
20 H HIS 4 HN HIS 4 -4.656 18.727 3.390
21 HA HIS 4 HA HIS 4 -4.765 16.680 5.195
22 HB2 HIS 4 HB2 HIS 4 -4.036 16.507 2.257
23 HB3 HIS 4 HB1 HIS 4 -4.087 15.047 3.244
24 HD1 HIS 4 HD1 HIS 4 -6.157 16.406 0.880
25 HD2 HIS 4 HD2 HIS 4 -6.824 15.440 4.865
26 HE1 HIS 4 HE1 HIS 4 -8.633 16.133 1.101
27 HE2 HIS 4 HE2 HIS 4 -9.022 15.695 3.540
28 H LYS 5 HN LYS 5 -3.477 15.535 6.385
29 HA LYS 5 HA LYS 5 -0.566 16.048 6.392
30 HB2 LYS 5 HB2 LYS 5 -1.849 16.879 8.342
31 HB3 LYS 5 HB1 LYS 5 -2.510 15.274 8.616
32 HG2 LYS 5 HG2 LYS 5 -0.158 14.466 9.057
33 HG3 LYS 5 HG1 LYS 5 0.372 16.144 8.956
34 HD2 LYS 5 HD2 LYS 5 -1.657 15.084 10.970
35 HD3 LYS 5 HD1 LYS 5 0.061 15.298 11.302
36 HE2 LYS 5 HE2 LYS 5 -0.975 17.206 12.228
37 HE3 LYS 5 HE1 LYS 5 -0.295 17.775 10.709
38 HZ1 LYS 5 HZ1 LYS 5 -3.132 16.988 11.083
39 HZ2 LYS 5 HZ2 LYS 5 -2.454 17.712 9.716
40 HZ3 LYS 5 HZ3 LYS 5 -2.554 18.573 11.159
41 H CYS 6 HN CYS 6 0.877 14.319 6.659
42 HA CYS 6 HA CYS 6 0.004 11.604 6.103
43 HB2 CYS 6 HB2 CYS 6 2.142 12.549 5.186
44 HB3 CYS 6 HB1 CYS 6 2.764 12.697 6.815
45 H ASN 7 HN ASN 7 -1.026 10.658 7.859
46 HA ASN 7 HA ASN 7 -0.679 11.161 10.565
47 HB2 ASN 7 HB2 ASN 7 -2.596 9.904 9.642
48 HB3 ASN 7 HB1 ASN 7 -1.542 8.552 9.238
49 HD21 ASN 7 HD21 ASN 7 -2.787 7.113 10.512
50 HD22 ASN 7 HD22 ASN 7 -2.747 7.146 12.239
51 H VAL 8 HN VAL 8 1.064 8.844 8.520
52 HA VAL 8 HA VAL 8 2.447 7.388 10.467
53 HB VAL 8 HB VAL 8 3.404 8.069 7.648
54 HG11 VAL 8 HG11 VAL 8 5.207 7.132 9.029
55 HG12 VAL 8 HG12 VAL 8 4.710 5.971 7.801
56 HG13 VAL 8 HG13 VAL 8 4.191 5.757 9.475
57 HG21 VAL 8 HG21 VAL 8 1.724 5.700 8.561
58 HG22 VAL 8 HG22 VAL 8 2.352 5.946 6.926
59 HG23 VAL 8 HG23 VAL 8 1.166 7.066 7.599
60 H CYS 9 HN CYS 9 3.707 10.087 8.511
61 HA CYS 9 HA CYS 9 6.055 10.533 10.075
62 HB2 CYS 9 HB2 CYS 9 4.613 12.297 8.069
63 HB3 CYS 9 HB1 CYS 9 6.158 12.711 8.794
64 H SER 10 HN SER 10 2.839 11.641 10.348
65 HA SER 10 HA SER 10 1.607 13.034 11.562
66 HB2 SER 10 HB2 SER 10 2.230 13.794 13.783
67 HB3 SER 10 HB1 SER 10 2.756 12.124 13.582
68 HG SER 10 HG SER 10 4.802 12.734 13.668
69 H ARG 11 HN ARG 11 4.078 13.976 9.745
70 HA ARG 11 HA ARG 11 3.677 16.874 10.007
71 HB2 ARG 11 HB2 ARG 11 5.603 15.351 8.180
72 HB3 ARG 11 HB1 ARG 11 5.594 17.089 8.486
73 HG2 ARG 11 HG2 ARG 11 6.222 14.928 10.531
74 HG3 ARG 11 HG1 ARG 11 7.409 15.942 9.701
75 HD2 ARG 11 HD2 ARG 11 5.224 17.008 11.532
76 HD3 ARG 11 HD1 ARG 11 6.877 16.666 12.046
77 HE ARG 11 HE ARG 11 7.127 18.356 9.908
78 HH11 ARG 11 HH11 ARG 11 5.433 18.616 12.978
79 HH12 ARG 11 HH12 ARG 11 5.771 20.307 13.135
80 HH21 ARG 11 HH21 ARG 11 7.548 20.567 10.160
81 HH22 ARG 11 HH22 ARG 11 6.956 21.399 11.564
82 H THR 12 HN THR 12 3.494 18.044 7.880
83 HA THR 12 HA THR 12 1.477 16.729 6.127
84 HB THR 12 HB THR 12 0.433 18.380 7.719
85 HG1 THR 12 HG1 THR 12 0.311 19.246 5.003
86 HG21 THR 12 HG21 THR 12 2.263 20.032 7.892
87 HG22 THR 12 HG22 THR 12 0.770 20.807 7.365
88 HG23 THR 12 HG23 THR 12 2.041 20.462 6.192
89 H PHE 13 HN PHE 13 1.468 17.393 3.948
90 HA PHE 13 HA PHE 13 3.928 18.573 2.871
91 HB2 PHE 13 HB2 PHE 13 2.609 16.529 1.861
92 HB3 PHE 13 HB1 PHE 13 1.478 17.721 1.260
93 HD1 PHE 13 HD2 PHE 13 4.950 16.450 0.980
94 HD2 PHE 13 HD1 PHE 13 2.046 19.108 -0.680
95 HE1 PHE 13 HE2 PHE 13 6.354 16.743 -1.019
96 HE2 PHE 13 HE1 PHE 13 3.459 19.398 -2.670
97 HZ PHE 13 HZ PHE 13 5.610 18.218 -2.844
98 H PHE 14 HN PHE 14 3.681 20.440 1.260
99 HA PHE 14 HA PHE 14 2.296 22.633 2.406
100 HB2 PHE 14 HB2 PHE 14 4.405 22.827 1.078
101 HB3 PHE 14 HB1 PHE 14 3.534 22.360 -0.377
102 HD1 PHE 14 HD1 PHE 14 3.660 24.988 2.289
103 HD2 PHE 14 HD2 PHE 14 2.494 24.037 -1.714
104 HE1 PHE 14 HE1 PHE 14 3.113 27.350 1.880
105 HE2 PHE 14 HE2 PHE 14 1.954 26.402 -2.115
106 HZ PHE 14 HZ PHE 14 2.263 28.060 -0.317
107 H SER 15 HN SER 15 1.500 20.355 -0.094
108 HA SER 15 HA SER 15 -1.197 21.514 -0.475
109 HB2 SER 15 HB2 SER 15 0.358 21.827 -2.469
110 HB3 SER 15 HB1 SER 15 0.454 20.072 -2.603
111 HG SER 15 HG SER 15 -1.720 21.787 -3.072
112 H GLU 16 HN GLU 16 -2.744 19.693 -1.342
113 HA GLU 16 HA GLU 16 -2.523 17.629 0.741
114 HB2 GLU 16 HB2 GLU 16 -4.931 17.311 0.467
115 HB3 GLU 16 HB1 GLU 16 -4.538 18.992 0.788
116 HG2 GLU 16 HG2 GLU 16 -4.838 19.508 -1.623
117 HG3 GLU 16 HG1 GLU 16 -5.282 17.823 -1.911
118 H ASN 17 HN ASN 17 -2.589 17.903 -2.767
119 HA ASN 17 HA ASN 17 -3.131 15.089 -3.289
120 HB2 ASN 17 HB2 ASN 17 -2.251 17.399 -5.079
121 HB3 ASN 17 HB1 ASN 17 -2.353 15.747 -5.680
122 HD21 ASN 17 HD21 ASN 17 -3.933 16.384 -7.191
123 HD22 ASN 17 HD22 ASN 17 -5.563 16.718 -6.723
124 H GLY 18 HN GLY 18 -0.380 17.272 -3.355
125 HA2 GLY 18 HA2 GLY 18 1.772 15.609 -3.870
126 HA3 GLY 18 HA1 GLY 18 1.838 16.991 -2.787
127 H LEU 19 HN LEU 19 0.141 16.136 -0.750
128 HA LEU 19 HA LEU 19 1.696 14.380 0.811
129 HB2 LEU 19 HB2 LEU 19 0.020 16.150 1.599
130 HB3 LEU 19 HB1 LEU 19 -1.246 15.002 1.269
131 HG LEU 19 HG LEU 19 -0.546 15.192 3.702
132 HD11 LEU 19 HD11 LEU 19 -0.291 12.397 2.585
133 HD12 LEU 19 HD12 LEU 19 -1.795 13.229 2.969
134 HD13 LEU 19 HD13 LEU 19 -0.662 12.833 4.257
135 HD21 LEU 19 HD21 LEU 19 1.866 15.466 3.365
136 HD22 LEU 19 HD22 LEU 19 1.988 13.788 2.815
137 HD23 LEU 19 HD23 LEU 19 1.499 14.147 4.471
138 H ARG 20 HN ARG 20 -1.346 13.874 -0.961
139 HA ARG 20 HA ARG 20 -1.952 11.265 -0.158
140 HB2 ARG 20 HB2 ARG 20 -2.565 12.776 -2.719
141 HB3 ARG 20 HB1 ARG 20 -3.208 11.162 -2.425
142 HG2 ARG 20 HG2 ARG 20 -3.662 13.511 -0.557
143 HG3 ARG 20 HG1 ARG 20 -4.766 13.067 -1.851
144 HD2 ARG 20 HD2 ARG 20 -5.118 10.858 -0.825
145 HD3 ARG 20 HD1 ARG 20 -3.951 11.247 0.439
146 HE ARG 20 HE ARG 20 -5.541 12.450 1.527
147 HH11 ARG 20 HH11 ARG 20 -6.723 12.017 -1.763
148 HH12 ARG 20 HH12 ARG 20 -8.332 12.527 -1.371
149 HH21 ARG 20 HH21 ARG 20 -7.656 13.083 2.019
150 HH22 ARG 20 HH22 ARG 20 -8.855 13.134 0.764
151 H GLU 21 HN GLU 21 0.057 12.295 -2.893
152 HA GLU 21 HA GLU 21 0.734 9.712 -3.810
153 HB2 GLU 21 HB2 GLU 21 0.967 11.921 -5.070
154 HB3 GLU 21 HB1 GLU 21 2.413 12.225 -4.111
155 HG2 GLU 21 HG2 GLU 21 3.448 10.181 -5.041
156 HG3 GLU 21 HG1 GLU 21 2.001 9.887 -6.004
157 H HIS 22 HN HIS 22 2.257 11.942 -1.527
158 HA HIS 22 HA HIS 22 4.517 10.393 -0.788
159 HB2 HIS 22 HB2 HIS 22 4.548 12.744 -0.250
160 HB3 HIS 22 HB1 HIS 22 3.033 12.639 0.637
161 HD1 HIS 22 HD1 HIS 22 6.691 11.694 0.976
162 HD2 HIS 22 HD2 HIS 22 3.243 11.957 3.268
163 HE1 HIS 22 HE1 HIS 22 7.379 11.198 3.358
164 H LEU 23 HN LEU 23 1.162 10.126 0.092
165 HA LEU 23 HA LEU 23 1.458 8.778 2.605
166 HB2 LEU 23 HB2 LEU 23 -0.530 10.186 1.597
167 HB3 LEU 23 HB1 LEU 23 -0.996 8.692 0.817
168 HG LEU 23 HG LEU 23 -0.762 9.030 3.831
169 HD11 LEU 23 HD11 LEU 23 -3.257 9.192 2.110
170 HD12 LEU 23 HD12 LEU 23 -2.477 10.536 2.941
171 HD13 LEU 23 HD13 LEU 23 -3.211 9.234 3.878
172 HD21 LEU 23 HD21 LEU 23 -2.143 6.979 3.956
173 HD22 LEU 23 HD22 LEU 23 -0.601 6.689 3.160
174 HD23 LEU 23 HD23 LEU 23 -2.070 6.831 2.197
175 H GLN 24 HN GLN 24 1.488 7.911 -0.771
176 HA GLN 24 HA GLN 24 0.901 5.106 -0.476
177 HB2 GLN 24 HB2 GLN 24 1.892 6.779 -2.808
178 HB3 GLN 24 HB1 GLN 24 1.474 5.069 -2.919
179 HG2 GLN 24 HG2 GLN 24 -0.432 7.284 -2.108
180 HG3 GLN 24 HG1 GLN 24 -0.325 6.558 -3.696
181 HE21 GLN 24 HE21 GLN 24 -1.037 4.409 -3.991
182 HE22 GLN 24 HE22 GLN 24 -2.074 3.630 -2.854
183 H THR 25 HN THR 25 3.719 7.165 -0.549
184 HA THR 25 HA THR 25 5.693 5.312 -1.300
185 HB THR 25 HB THR 25 7.353 6.896 -0.516
186 HG1 THR 25 HG1 THR 25 5.779 8.842 0.486
187 HG21 THR 25 HG21 THR 25 6.662 8.938 -1.702
188 HG22 THR 25 HG22 THR 25 4.980 8.407 -1.658
189 HG23 THR 25 HG23 THR 25 6.164 7.504 -2.605
190 H HIS 26 HN HIS 26 3.938 5.372 1.603
191 HA HIS 26 HA HIS 26 6.049 4.156 3.266
192 HB2 HIS 26 HB2 HIS 26 3.202 5.059 3.888
193 HB3 HIS 26 HB1 HIS 26 4.199 4.169 5.040
194 HD1 HIS 26 HD1 HIS 26 6.341 5.406 5.950
195 HD2 HIS 26 HD2 HIS 26 3.767 7.750 3.674
196 HE1 HIS 26 HE1 HIS 26 6.958 7.809 6.434
197 H ARG 27 HN ARG 27 3.207 3.325 1.441
198 HA ARG 27 HA ARG 27 3.292 0.500 2.347
199 HB2 ARG 27 HB2 ARG 27 1.153 0.202 1.247
200 HB3 ARG 27 HB1 ARG 27 1.071 1.650 2.243
201 HG2 ARG 27 HG2 ARG 27 1.451 3.024 0.175
202 HG3 ARG 27 HG1 ARG 27 1.374 1.538 -0.774
203 HD2 ARG 27 HD2 ARG 27 -0.772 2.604 -0.896
204 HD3 ARG 27 HD1 ARG 27 -0.959 1.170 0.116
205 HE ARG 27 HE ARG 27 -0.980 3.985 0.990
206 HH11 ARG 27 HH11 ARG 27 -1.455 0.604 1.865
207 HH12 ARG 27 HH12 ARG 27 -2.265 0.991 3.347
208 HH21 ARG 27 HH21 ARG 27 -2.056 4.444 2.926
209 HH22 ARG 27 HH22 ARG 27 -2.620 3.147 3.929
210 H GLY 28 HN GLY 28 4.298 2.505 -0.256
211 HA2 GLY 28 HA2 GLY 28 4.397 0.553 -2.349
212 HA3 GLY 28 HA1 GLY 28 5.063 2.178 -2.367
213 HA PRO 29 HA PRO 29 8.469 -1.149 -2.170
214 HB2 PRO 29 HB2 PRO 29 9.527 0.360 -4.530
215 HB3 PRO 29 HB1 PRO 29 9.329 -1.383 -4.314
216 HG2 PRO 29 HG2 PRO 29 7.697 -0.000 -5.940
217 HG3 PRO 29 HG1 PRO 29 7.087 -1.343 -4.949
218 HD2 PRO 29 HD2 PRO 29 6.863 1.625 -4.460
219 HD3 PRO 29 HD1 PRO 29 5.631 0.356 -4.269
220 H ALA 30 HN ALA 30 9.913 -0.653 -0.661
221 HA ALA 30 HA ALA 30 11.652 1.644 -0.685
222 HB1 ALA 30 HB1 ALA 30 9.597 2.731 0.171
223 HB2 ALA 30 HB2 ALA 30 10.828 2.656 1.428
224 HB3 ALA 30 HB3 ALA 30 9.472 1.526 1.454
225 H LYS 31 HN LYS 31 13.399 1.303 0.724
226 HA LYS 31 HA LYS 31 13.775 -1.322 1.835
227 HB2 LYS 31 HB2 LYS 31 15.464 1.190 2.224
228 HB3 LYS 31 HB1 LYS 31 15.957 -0.452 2.626
229 HG2 LYS 31 HG2 LYS 31 15.788 -1.052 0.207
230 HG3 LYS 31 HG1 LYS 31 15.411 0.634 -0.148
231 HD2 LYS 31 HD2 LYS 31 17.997 -0.315 1.161
232 HD3 LYS 31 HD1 LYS 31 17.811 -0.012 -0.564
233 HE2 LYS 31 HE2 LYS 31 18.870 1.917 0.357
234 HE3 LYS 31 HE1 LYS 31 17.207 2.383 0.025
235 HZ1 LYS 31 HZ1 LYS 31 16.689 2.222 2.339
236 HZ2 LYS 31 HZ2 LYS 31 18.078 3.174 2.181
237 HZ3 LYS 31 HZ3 LYS 31 18.206 1.575 2.702
238 H HIS 32 HN HIS 32 14.309 -1.728 4.117
239 HA HIS 32 HA HIS 32 12.992 0.098 6.051
240 HB2 HIS 32 HB2 HIS 32 12.480 -1.876 7.456
241 HB3 HIS 32 HB1 HIS 32 11.709 -2.000 5.883
242 HD1 HIS 32 HD1 HIS 32 12.161 -4.077 4.563
243 HD2 HIS 32 HD2 HIS 32 14.768 -3.689 7.774
244 HE1 HIS 32 HE1 HIS 32 13.421 -6.237 4.666
245 HE2 HIS 32 HE2 HIS 32 15.068 -5.941 6.548
246 H TYR 33 HN TYR 33 13.971 -0.084 8.264
247 HA TYR 33 HA TYR 33 16.840 0.321 7.916
248 HB2 TYR 33 HB2 TYR 33 14.986 1.840 9.210
249 HB3 TYR 33 HB1 TYR 33 15.507 0.871 10.561
250 HD1 TYR 33 HD2 TYR 33 18.239 0.686 10.732
251 HD2 TYR 33 HD1 TYR 33 16.105 3.909 8.917
252 HE1 TYR 33 HE2 TYR 33 20.174 2.151 11.066
253 HE2 TYR 33 HE1 TYR 33 18.052 5.377 9.250
254 HH TYR 33 HH TYR 33 20.018 5.506 10.751
255 H MET 34 HN MET 34 18.361 -0.956 8.688
256 HA MET 34 HA MET 34 17.806 -3.129 10.621
257 HB2 MET 34 HB2 MET 34 18.846 -3.973 8.570
258 HB3 MET 34 HB1 MET 34 20.059 -2.702 8.595
259 HG2 MET 34 HG2 MET 34 20.945 -3.718 10.737
260 HG3 MET 34 HG1 MET 34 19.851 -5.076 10.461
261 HE1 MET 34 HE1 MET 34 23.608 -6.242 9.559
262 HE2 MET 34 HE2 MET 34 22.289 -6.468 10.708
263 HE3 MET 34 HE3 MET 34 23.209 -4.964 10.704
264 H CYS 35 HN CYS 35 18.780 -2.986 12.626
265 HA CYS 35 HA CYS 35 19.603 -0.494 13.621
266 HB2 CYS 35 HB2 CYS 35 18.629 -2.390 14.960
267 HB3 CYS 35 HB1 CYS 35 20.144 -3.208 14.857
268 HA PRO 36 HA PRO 36 23.960 -0.559 12.180
269 HB2 PRO 36 HB2 PRO 36 24.171 1.691 14.180
270 HB3 PRO 36 HB1 PRO 36 24.718 1.629 12.494
271 HG2 PRO 36 HG2 PRO 36 22.512 2.984 13.097
272 HG3 PRO 36 HG1 PRO 36 22.542 1.957 11.644
273 HD2 PRO 36 HD2 PRO 36 21.314 1.374 14.347
274 HD3 PRO 36 HD1 PRO 36 20.639 1.099 12.722
275 H ILE 37 HN ILE 37 23.053 -0.470 15.648
276 HA ILE 37 HA ILE 37 25.720 -1.223 16.505
277 HB ILE 37 HB ILE 37 23.206 -0.838 18.186
278 HG12 ILE 37 HG12 ILE 37 25.345 1.241 17.488
279 HG13 ILE 37 HG11 ILE 37 23.719 1.204 16.811
280 HG21 ILE 37 HG21 ILE 37 24.782 -0.422 20.036
281 HG22 ILE 37 HG22 ILE 37 26.140 -0.722 18.953
282 HG23 ILE 37 HG23 ILE 37 25.025 -2.026 19.343
283 HD11 ILE 37 HD11 ILE 37 22.800 1.583 19.061
284 HD12 ILE 37 HD12 ILE 37 23.887 2.869 18.536
285 HD13 ILE 37 HD13 ILE 37 24.445 1.667 19.700
286 H CYS 38 HN CYS 38 22.412 -2.729 16.949
287 HA CYS 38 HA CYS 38 23.768 -5.308 17.475
288 HB2 CYS 38 HB2 CYS 38 22.126 -5.849 19.043
289 HB3 CYS 38 HB1 CYS 38 22.431 -4.156 19.349
290 H GLY 39 HN GLY 39 21.947 -3.845 15.090
291 HA2 GLY 39 HA2 GLY 39 21.219 -4.593 13.131
292 HA3 GLY 39 HA1 GLY 39 21.975 -6.136 13.496
293 H GLU 40 HN GLU 40 19.366 -4.972 15.532
294 HA GLU 40 HA GLU 40 17.425 -6.822 14.705
295 HB2 GLU 40 HB2 GLU 40 17.024 -4.103 16.022
296 HB3 GLU 40 HB1 GLU 40 15.840 -5.403 15.961
297 HG2 GLU 40 HG2 GLU 40 18.495 -5.474 17.415
298 HG3 GLU 40 HG1 GLU 40 16.912 -5.272 18.149
299 H ARG 41 HN ARG 41 16.608 -6.907 12.671
300 HA ARG 41 HA ARG 41 16.197 -4.553 11.007
301 HB2 ARG 41 HB2 ARG 41 15.466 -7.478 10.534
302 HB3 ARG 41 HB1 ARG 41 15.171 -6.188 9.379
303 HG2 ARG 41 HG2 ARG 41 17.108 -7.243 8.586
304 HG3 ARG 41 HG1 ARG 41 17.713 -5.797 9.393
305 HD2 ARG 41 HD2 ARG 41 18.369 -7.116 11.338
306 HD3 ARG 41 HD1 ARG 41 17.639 -8.568 10.643
307 HE ARG 41 HE ARG 41 19.479 -7.674 8.786
308 HH11 ARG 41 HH11 ARG 41 19.687 -8.758 12.132
309 HH12 ARG 41 HH12 ARG 41 21.271 -9.430 11.924
310 HH21 ARG 41 HH21 ARG 41 21.531 -8.565 8.542
311 HH22 ARG 41 HH22 ARG 41 22.314 -9.333 9.889
312 H PHE 42 HN PHE 42 14.358 -3.416 10.962
313 HA PHE 42 HA PHE 42 11.869 -4.515 12.150
314 HB2 PHE 42 HB2 PHE 42 13.116 -1.744 12.288
315 HB3 PHE 42 HB1 PHE 42 11.385 -1.954 12.507
316 HD1 PHE 42 HD1 PHE 42 14.687 -2.620 13.997
317 HD2 PHE 42 HD2 PHE 42 10.470 -3.092 14.460
318 HE1 PHE 42 HE1 PHE 42 15.005 -3.246 16.347
319 HE2 PHE 42 HE2 PHE 42 10.802 -3.706 16.813
320 HZ PHE 42 HZ PHE 42 13.068 -3.790 17.757
321 HA PRO 43 HA PRO 43 9.874 -4.106 8.253
322 HB2 PRO 43 HB2 PRO 43 7.317 -3.339 8.887
323 HB3 PRO 43 HB1 PRO 43 7.956 -4.943 9.265
324 HG2 PRO 43 HG2 PRO 43 7.772 -2.516 11.054
325 HG3 PRO 43 HG1 PRO 43 7.264 -4.188 11.391
326 HD2 PRO 43 HD2 PRO 43 9.620 -3.252 12.288
327 HD3 PRO 43 HD1 PRO 43 9.469 -4.928 11.710
328 H SER 44 HN SER 44 10.254 -1.270 10.174
329 HA SER 44 HA SER 44 10.118 0.463 7.847
330 HB2 SER 44 HB2 SER 44 8.539 2.058 9.034
331 HB3 SER 44 HB1 SER 44 7.794 0.550 8.523
332 HG SER 44 HG SER 44 7.154 0.541 10.546
333 H LEU 45 HN LEU 45 10.713 2.702 8.423
334 HA LEU 45 HA LEU 45 12.964 2.844 10.295
335 HB2 LEU 45 HB2 LEU 45 11.863 4.855 8.263
336 HB3 LEU 45 HB1 LEU 45 13.295 5.105 9.238
337 HG LEU 45 HG LEU 45 14.325 3.081 8.060
338 HD11 LEU 45 HD11 LEU 45 12.009 3.433 6.142
339 HD12 LEU 45 HD12 LEU 45 12.313 2.032 7.172
340 HD13 LEU 45 HD13 LEU 45 13.436 2.427 5.874
341 HD21 LEU 45 HD21 LEU 45 14.957 4.370 6.057
342 HD22 LEU 45 HD22 LEU 45 15.014 5.346 7.521
343 HD23 LEU 45 HD23 LEU 45 13.664 5.527 6.394
344 H LEU 46 HN LEU 46 10.708 2.502 11.714
345 HA LEU 46 HA LEU 46 9.868 5.082 12.855
346 HB2 LEU 46 HB2 LEU 46 7.909 2.894 11.994
347 HB3 LEU 46 HB1 LEU 46 7.489 4.418 12.758
348 HG LEU 46 HG LEU 46 8.676 4.178 9.965
349 HD11 LEU 46 HD11 LEU 46 5.777 4.552 10.765
350 HD12 LEU 46 HD12 LEU 46 6.486 3.106 10.040
351 HD13 LEU 46 HD13 LEU 46 6.417 4.604 9.118
352 HD21 LEU 46 HD21 LEU 46 7.394 6.562 11.355
353 HD22 LEU 46 HD22 LEU 46 7.966 6.516 9.686
354 HD23 LEU 46 HD23 LEU 46 9.116 6.362 11.010
355 H THR 47 HN THR 47 9.236 1.620 12.802
356 HA THR 47 HA THR 47 9.159 1.113 15.568
357 HB THR 47 HB THR 47 9.600 -1.317 14.720
358 HG1 THR 47 HG1 THR 47 8.893 -0.618 12.160
359 HG21 THR 47 HG21 THR 47 7.329 -1.510 13.779
360 HG22 THR 47 HG22 THR 47 7.257 0.240 13.570
361 HG23 THR 47 HG23 THR 47 7.334 -0.450 15.192
362 H LEU 48 HN LEU 48 11.847 1.036 13.191
363 HA LEU 48 HA LEU 48 13.866 0.192 14.996
364 HB2 LEU 48 HB2 LEU 48 14.044 0.337 12.424
365 HB3 LEU 48 HB1 LEU 48 14.302 2.051 12.620
366 HG LEU 48 HG LEU 48 16.392 0.637 12.221
367 HD11 LEU 48 HD11 LEU 48 16.491 2.313 14.735
368 HD12 LEU 48 HD12 LEU 48 16.621 2.906 13.078
369 HD13 LEU 48 HD13 LEU 48 17.865 1.841 13.728
370 HD21 LEU 48 HD21 LEU 48 17.391 -0.597 14.077
371 HD22 LEU 48 HD22 LEU 48 15.829 -1.272 13.620
372 HD23 LEU 48 HD23 LEU 48 15.962 -0.277 15.071
373 H THR 49 HN THR 49 12.421 3.358 14.332
374 HA THR 49 HA THR 49 14.282 4.942 15.780
375 HB THR 49 HB THR 49 11.369 5.571 15.145
376 HG1 THR 49 HG1 THR 49 12.030 6.158 13.185
377 HG21 THR 49 HG21 THR 49 13.708 7.425 15.739
378 HG22 THR 49 HG22 THR 49 12.322 7.130 16.793
379 HG23 THR 49 HG23 THR 49 12.096 7.936 15.240
380 H GLU 50 HN GLU 50 11.200 3.412 16.647
381 HA GLU 50 HA GLU 50 11.022 4.183 19.363
382 HB2 GLU 50 HB2 GLU 50 10.089 1.572 18.093
383 HB3 GLU 50 HB1 GLU 50 9.608 2.151 19.686
384 HG2 GLU 50 HG2 GLU 50 8.535 4.117 18.611
385 HG3 GLU 50 HG1 GLU 50 8.962 3.464 17.031
386 H HIS 51 HN HIS 51 12.748 1.577 17.765
387 HA HIS 51 HA HIS 51 13.585 0.149 20.069
388 HB2 HIS 51 HB2 HIS 51 13.445 -1.007 17.974
389 HB3 HIS 51 HB1 HIS 51 14.488 0.163 17.170
390 HD1 HIS 51 HD1 HIS 51 14.783 -2.405 19.984
391 HD2 HIS 51 HD2 HIS 51 17.033 -0.686 16.942
392 HE1 HIS 51 HE1 HIS 51 17.034 -3.530 20.037
393 H LYS 52 HN LYS 52 15.294 2.503 18.002
394 HA LYS 52 HA LYS 52 17.863 1.983 18.924
395 HB2 LYS 52 HB2 LYS 52 18.551 4.070 17.759
396 HB3 LYS 52 HB1 LYS 52 17.572 2.994 16.785
397 HG2 LYS 52 HG2 LYS 52 16.736 5.080 16.217
398 HG3 LYS 52 HG1 LYS 52 15.587 4.531 17.426
399 HD2 LYS 52 HD2 LYS 52 16.022 6.859 17.820
400 HD3 LYS 52 HD1 LYS 52 16.783 5.958 19.126
401 HE2 LYS 52 HE2 LYS 52 18.285 6.987 16.695
402 HE3 LYS 52 HE1 LYS 52 18.149 7.873 18.210
403 HZ1 LYS 52 HZ1 LYS 52 19.232 5.963 19.318
404 HZ2 LYS 52 HZ2 LYS 52 20.211 6.717 18.165
405 HZ3 LYS 52 HZ3 LYS 52 19.471 5.250 17.800
406 H VAL 53 HN VAL 53 15.499 4.132 20.279
407 HA VAL 53 HA VAL 53 17.129 5.763 21.895
408 HB VAL 53 HB VAL 53 15.120 6.354 23.119
409 HG11 VAL 53 HG11 VAL 53 15.370 7.342 20.891
410 HG12 VAL 53 HG12 VAL 53 13.663 7.086 21.258
411 HG13 VAL 53 HG13 VAL 53 14.505 5.981 20.169
412 HG21 VAL 53 HG21 VAL 53 12.954 5.198 22.784
413 HG22 VAL 53 HG22 VAL 53 14.161 4.124 23.490
414 HG23 VAL 53 HG23 VAL 53 13.759 3.990 21.778
415 H THR 54 HN THR 54 16.204 2.458 22.313
416 HA THR 54 HA THR 54 16.666 2.311 25.171
417 HB THR 54 HB THR 54 16.449 -0.136 24.949
418 HG1 THR 54 HG1 THR 54 15.791 -0.181 22.292
419 HG21 THR 54 HG21 THR 54 14.348 1.332 23.313
420 HG22 THR 54 HG22 THR 54 14.359 1.162 25.070
421 HG23 THR 54 HG23 THR 54 14.151 -0.261 24.048
422 H HIS 55 HN HIS 55 18.826 2.772 22.717
423 HA HIS 55 HA HIS 55 20.987 1.077 23.794
424 HB2 HIS 55 HB2 HIS 55 20.660 2.644 21.205
425 HB3 HIS 55 HB1 HIS 55 22.252 2.175 21.770
426 HD1 HIS 55 HD1 HIS 55 22.806 -0.390 21.785
427 HD2 HIS 55 HD2 HIS 55 19.159 0.591 20.043
428 HE1 HIS 55 HE1 HIS 55 22.108 -2.391 20.425
Start of MODEL 13
1 H1 MET 1 HT1 MET 1 -9.195 15.722 6.547
2 H2 MET 1 HT2 MET 1 -10.804 15.227 6.685
3 H3 MET 1 HT3 MET 1 -9.956 15.765 8.044
4 HA MET 1 HA MET 1 -10.594 17.416 5.694
5 HB2 MET 1 HB2 MET 1 -12.244 18.571 7.131
6 HB3 MET 1 HB1 MET 1 -12.644 16.871 6.964
7 HG2 MET 1 HG2 MET 1 -11.767 16.407 9.192
8 HG3 MET 1 HG1 MET 1 -11.255 18.083 9.367
9 HE1 MET 1 HE1 MET 1 -15.677 16.710 9.256
10 HE2 MET 1 HE2 MET 1 -14.313 15.597 9.231
11 HE3 MET 1 HE3 MET 1 -14.633 16.631 7.835
12 H GLY 2 HN GLY 2 -9.972 19.601 5.902
13 HA2 GLY 2 HA2 GLY 2 -8.769 21.424 6.559
14 HA3 GLY 2 HA1 GLY 2 -8.634 20.717 8.161
15 H SER 3 HN SER 3 -6.878 19.227 8.558
16 HA SER 3 HA SER 3 -4.464 20.088 7.197
17 HB2 SER 3 HB2 SER 3 -3.371 19.035 9.262
18 HB3 SER 3 HB1 SER 3 -4.438 20.402 9.589
19 HG SER 3 HG SER 3 -5.806 19.116 10.583
20 H HIS 4 HN HIS 4 -4.498 18.871 5.427
21 HA HIS 4 HA HIS 4 -4.412 16.020 5.289
22 HB2 HIS 4 HB2 HIS 4 -3.410 18.166 3.390
23 HB3 HIS 4 HB1 HIS 4 -3.116 16.465 3.055
24 HD1 HIS 4 HD1 HIS 4 -5.927 18.957 3.362
25 HD2 HIS 4 HD2 HIS 4 -5.269 15.078 2.027
26 HE1 HIS 4 HE1 HIS 4 -8.048 18.275 2.215
27 HE2 HIS 4 HE2 HIS 4 -7.611 15.949 1.372
28 H LYS 5 HN LYS 5 -3.168 15.773 7.272
29 HA LYS 5 HA LYS 5 -0.235 15.975 6.968
30 HB2 LYS 5 HB2 LYS 5 -1.185 17.126 8.938
31 HB3 LYS 5 HB1 LYS 5 -1.963 15.637 9.462
32 HG2 LYS 5 HG2 LYS 5 0.296 14.600 9.767
33 HG3 LYS 5 HG1 LYS 5 1.035 16.142 9.321
34 HD2 LYS 5 HD2 LYS 5 0.002 17.237 11.252
35 HD3 LYS 5 HD1 LYS 5 -0.852 15.750 11.675
36 HE2 LYS 5 HE2 LYS 5 1.337 14.642 12.085
37 HE3 LYS 5 HE1 LYS 5 2.157 16.157 11.698
38 HZ1 LYS 5 HZ1 LYS 5 1.899 15.841 14.078
39 HZ2 LYS 5 HZ2 LYS 5 0.222 15.776 13.915
40 HZ3 LYS 5 HZ3 LYS 5 1.048 17.204 13.552
41 H CYS 6 HN CYS 6 0.958 14.155 6.991
42 HA CYS 6 HA CYS 6 -0.336 11.524 6.953
43 HB2 CYS 6 HB2 CYS 6 1.121 12.111 5.074
44 HB3 CYS 6 HB1 CYS 6 2.420 12.540 6.157
45 H ASN 7 HN ASN 7 -0.737 11.376 9.170
46 HA ASN 7 HA ASN 7 0.841 12.278 11.258
47 HB2 ASN 7 HB2 ASN 7 -1.576 11.879 11.429
48 HB3 ASN 7 HB1 ASN 7 -1.322 10.141 11.300
49 HD21 ASN 7 HD21 ASN 7 -0.510 9.010 13.126
50 HD22 ASN 7 HD22 ASN 7 -0.472 9.727 14.698
51 H VAL 8 HN VAL 8 0.943 9.068 9.749
52 HA VAL 8 HA VAL 8 1.947 7.554 11.910
53 HB VAL 8 HB VAL 8 2.486 7.000 8.964
54 HG11 VAL 8 HG11 VAL 8 2.407 5.068 11.306
55 HG12 VAL 8 HG12 VAL 8 3.847 5.593 10.431
56 HG13 VAL 8 HG13 VAL 8 2.626 4.626 9.604
57 HG21 VAL 8 HG21 VAL 8 0.079 6.151 10.600
58 HG22 VAL 8 HG22 VAL 8 0.418 5.689 8.926
59 HG23 VAL 8 HG23 VAL 8 0.101 7.376 9.332
60 H CYS 9 HN CYS 9 3.742 9.124 9.256
61 HA CYS 9 HA CYS 9 6.329 8.786 10.621
62 HB2 CYS 9 HB2 CYS 9 7.336 9.649 8.634
63 HB3 CYS 9 HB1 CYS 9 6.067 8.571 8.096
64 H SER 10 HN SER 10 4.009 11.172 9.863
65 HA SER 10 HA SER 10 3.267 12.896 11.235
66 HB2 SER 10 HB2 SER 10 6.135 13.309 12.178
67 HB3 SER 10 HB1 SER 10 4.721 14.190 12.762
68 HG SER 10 HG SER 10 5.643 11.712 13.451
69 H ARG 11 HN ARG 11 5.014 12.797 8.536
70 HA ARG 11 HA ARG 11 5.717 15.594 8.210
71 HB2 ARG 11 HB2 ARG 11 5.754 13.289 6.222
72 HB3 ARG 11 HB1 ARG 11 6.339 14.911 5.867
73 HG2 ARG 11 HG2 ARG 11 7.479 13.002 7.935
74 HG3 ARG 11 HG1 ARG 11 8.200 13.415 6.379
75 HD2 ARG 11 HD2 ARG 11 8.412 15.789 7.153
76 HD3 ARG 11 HD1 ARG 11 7.780 15.300 8.731
77 HE ARG 11 HE ARG 11 10.104 13.817 7.821
78 HH11 ARG 11 HH11 ARG 11 9.031 16.590 9.712
79 HH12 ARG 11 HH12 ARG 11 10.528 16.728 10.577
80 HH21 ARG 11 HH21 ARG 11 12.064 14.027 8.969
81 HH22 ARG 11 HH22 ARG 11 12.241 15.287 10.149
82 H THR 12 HN THR 12 4.767 17.032 6.776
83 HA THR 12 HA THR 12 1.857 16.640 6.425
84 HB THR 12 HB THR 12 2.581 18.569 7.801
85 HG1 THR 12 HG1 THR 12 1.320 20.147 6.679
86 HG21 THR 12 HG21 THR 12 3.857 19.660 5.262
87 HG22 THR 12 HG22 THR 12 4.722 19.114 6.704
88 HG23 THR 12 HG23 THR 12 3.670 20.525 6.792
89 H PHE 13 HN PHE 13 0.887 17.705 4.524
90 HA PHE 13 HA PHE 13 2.097 17.018 2.042
91 HB2 PHE 13 HB2 PHE 13 0.093 17.841 0.984
92 HB3 PHE 13 HB1 PHE 13 -0.379 17.001 2.452
93 HD1 PHE 13 HD1 PHE 13 -0.137 19.051 4.565
94 HD2 PHE 13 HD2 PHE 13 -1.531 19.471 0.550
95 HE1 PHE 13 HE1 PHE 13 -1.515 20.974 5.230
96 HE2 PHE 13 HE2 PHE 13 -2.896 21.397 1.223
97 HZ PHE 13 HZ PHE 13 -2.891 22.155 3.565
98 H PHE 14 HN PHE 14 2.150 18.507 0.192
99 HA PHE 14 HA PHE 14 3.281 21.187 0.783
100 HB2 PHE 14 HB2 PHE 14 3.725 19.482 -1.729
101 HB3 PHE 14 HB1 PHE 14 4.572 20.962 -1.281
102 HD1 PHE 14 HD1 PHE 14 4.266 17.333 -0.627
103 HD2 PHE 14 HD2 PHE 14 6.390 20.912 0.370
104 HE1 PHE 14 HE1 PHE 14 6.010 15.996 0.485
105 HE2 PHE 14 HE2 PHE 14 8.132 19.568 1.466
106 HZ PHE 14 HZ PHE 14 7.946 17.115 1.532
107 H SER 15 HN SER 15 1.776 19.381 -1.898
108 HA SER 15 HA SER 15 -0.529 21.236 -1.939
109 HB2 SER 15 HB2 SER 15 -0.912 20.455 -4.254
110 HB3 SER 15 HB1 SER 15 0.727 21.086 -4.109
111 HG SER 15 HG SER 15 0.826 19.147 -5.205
112 H GLU 16 HN GLU 16 -2.591 19.885 -2.656
113 HA GLU 16 HA GLU 16 -3.030 17.984 -0.566
114 HB2 GLU 16 HB2 GLU 16 -4.776 18.779 -2.925
115 HB3 GLU 16 HB1 GLU 16 -5.304 17.743 -1.600
116 HG2 GLU 16 HG2 GLU 16 -4.861 19.610 -0.000
117 HG3 GLU 16 HG1 GLU 16 -4.430 20.640 -1.362
118 H ASN 17 HN ASN 17 -2.402 17.716 -4.049
119 HA ASN 17 HA ASN 17 -2.654 14.838 -4.171
120 HB2 ASN 17 HB2 ASN 17 -1.280 16.772 -6.094
121 HB3 ASN 17 HB1 ASN 17 -1.603 15.068 -6.418
122 HD21 ASN 17 HD21 ASN 17 -2.498 17.403 -7.895
123 HD22 ASN 17 HD22 ASN 17 -4.224 17.359 -7.901
124 H GLY 18 HN GLY 18 -0.166 17.185 -3.461
125 HA2 GLY 18 HA2 GLY 18 2.189 15.666 -3.541
126 HA3 GLY 18 HA1 GLY 18 1.894 17.040 -2.483
127 H LEU 19 HN LEU 19 -0.265 15.993 -0.967
128 HA LEU 19 HA LEU 19 0.895 14.352 0.993
129 HB2 LEU 19 HB2 LEU 19 -1.199 15.826 1.170
130 HB3 LEU 19 HB1 LEU 19 -2.094 14.547 0.404
131 HG LEU 19 HG LEU 19 -2.273 14.741 2.966
132 HD11 LEU 19 HD11 LEU 19 -2.393 12.348 3.377
133 HD12 LEU 19 HD12 LEU 19 -1.462 12.019 1.913
134 HD13 LEU 19 HD13 LEU 19 -3.067 12.746 1.797
135 HD21 LEU 19 HD21 LEU 19 -0.521 13.741 4.350
136 HD22 LEU 19 HD22 LEU 19 0.101 15.135 3.472
137 HD23 LEU 19 HD23 LEU 19 0.503 13.503 2.930
138 H ARG 20 HN ARG 20 -1.201 13.599 -1.736
139 HA ARG 20 HA ARG 20 -1.742 10.888 -1.136
140 HB2 ARG 20 HB2 ARG 20 -1.793 12.168 -3.899
141 HB3 ARG 20 HB1 ARG 20 -2.717 10.766 -3.362
142 HG2 ARG 20 HG2 ARG 20 -3.089 13.645 -2.482
143 HG3 ARG 20 HG1 ARG 20 -4.157 12.712 -3.521
144 HD2 ARG 20 HD2 ARG 20 -4.705 11.223 -1.645
145 HD3 ARG 20 HD1 ARG 20 -3.597 12.122 -0.597
146 HE ARG 20 HE ARG 20 -5.334 14.005 -1.621
147 HH11 ARG 20 HH11 ARG 20 -5.705 11.120 0.368
148 HH12 ARG 20 HH12 ARG 20 -7.137 11.709 1.144
149 HH21 ARG 20 HH21 ARG 20 -7.215 14.738 -0.586
150 HH22 ARG 20 HH22 ARG 20 -8.000 13.731 0.595
151 H GLU 21 HN GLU 21 0.744 12.410 -3.181
152 HA GLU 21 HA GLU 21 1.938 10.043 -4.191
153 HB2 GLU 21 HB2 GLU 21 2.271 12.273 -5.242
154 HB3 GLU 21 HB1 GLU 21 3.119 12.831 -3.801
155 HG2 GLU 21 HG2 GLU 21 4.849 11.027 -4.229
156 HG3 GLU 21 HG1 GLU 21 4.042 10.704 -5.762
157 H HIS 22 HN HIS 22 2.707 12.232 -1.520
158 HA HIS 22 HA HIS 22 4.971 10.937 -0.472
159 HB2 HIS 22 HB2 HIS 22 4.527 13.232 0.164
160 HB3 HIS 22 HB1 HIS 22 2.933 12.828 0.787
161 HD1 HIS 22 HD1 HIS 22 6.586 12.517 1.692
162 HD2 HIS 22 HD2 HIS 22 2.851 11.942 3.355
163 HE1 HIS 22 HE1 HIS 22 6.982 11.842 4.085
164 H LEU 23 HN LEU 23 1.561 10.296 -0.080
165 HA LEU 23 HA LEU 23 1.603 8.695 2.243
166 HB2 LEU 23 HB2 LEU 23 -0.397 9.792 0.937
167 HB3 LEU 23 HB1 LEU 23 -0.382 8.318 -0.011
168 HG LEU 23 HG LEU 23 -0.635 7.047 2.222
169 HD11 LEU 23 HD11 LEU 23 -1.604 8.296 4.113
170 HD12 LEU 23 HD12 LEU 23 -1.363 9.812 3.240
171 HD13 LEU 23 HD13 LEU 23 0.027 8.849 3.735
172 HD21 LEU 23 HD21 LEU 23 -2.923 8.840 1.319
173 HD22 LEU 23 HD22 LEU 23 -3.079 7.372 2.288
174 HD23 LEU 23 HD23 LEU 23 -2.495 7.270 0.631
175 H GLN 24 HN GLN 24 2.335 8.015 -1.134
176 HA GLN 24 HA GLN 24 1.902 5.177 -1.071
177 HB2 GLN 24 HB2 GLN 24 3.334 6.931 -3.111
178 HB3 GLN 24 HB1 GLN 24 2.859 5.257 -3.363
179 HG2 GLN 24 HG2 GLN 24 0.496 5.870 -3.215
180 HG3 GLN 24 HG1 GLN 24 0.935 7.539 -2.865
181 HE21 GLN 24 HE21 GLN 24 -0.672 6.435 -5.046
182 HE22 GLN 24 HE22 GLN 24 0.077 6.977 -6.506
183 H THR 25 HN THR 25 4.518 7.276 -0.229
184 HA THR 25 HA THR 25 6.713 5.507 -0.571
185 HB THR 25 HB THR 25 7.980 7.038 0.808
186 HG1 THR 25 HG1 THR 25 5.457 7.791 1.806
187 HG21 THR 25 HG21 THR 25 7.405 7.930 -1.424
188 HG22 THR 25 HG22 THR 25 7.518 9.229 -0.234
189 HG23 THR 25 HG23 THR 25 5.936 8.648 -0.760
190 H HIS 26 HN HIS 26 4.105 5.397 1.607
191 HA HIS 26 HA HIS 26 5.518 3.599 3.510
192 HB2 HIS 26 HB2 HIS 26 2.915 5.072 4.121
193 HB3 HIS 26 HB1 HIS 26 4.011 4.275 5.241
194 HD1 HIS 26 HD1 HIS 26 6.355 5.562 5.650
195 HD2 HIS 26 HD2 HIS 26 3.363 7.725 3.757
196 HE1 HIS 26 HE1 HIS 26 6.935 7.997 5.954
197 H ARG 27 HN ARG 27 3.042 3.937 1.143
198 HA ARG 27 HA ARG 27 1.418 1.678 2.013
199 HB2 ARG 27 HB2 ARG 27 1.258 3.416 -0.482
200 HB3 ARG 27 HB1 ARG 27 0.147 2.097 -0.128
201 HG2 ARG 27 HG2 ARG 27 0.478 4.666 1.455
202 HG3 ARG 27 HG1 ARG 27 -0.903 4.201 0.460
203 HD2 ARG 27 HD2 ARG 27 -0.022 2.928 3.081
204 HD3 ARG 27 HD1 ARG 27 -1.477 3.885 2.795
205 HE ARG 27 HE ARG 27 -1.069 1.313 1.391
206 HH11 ARG 27 HH11 ARG 27 -3.056 3.259 3.539
207 HH12 ARG 27 HH12 ARG 27 -4.322 2.086 3.608
208 HH21 ARG 27 HH21 ARG 27 -2.733 -0.198 1.495
209 HH22 ARG 27 HH22 ARG 27 -4.142 0.124 2.457
210 H GLY 28 HN GLY 28 3.743 2.473 -0.517
211 HA2 GLY 28 HA2 GLY 28 3.972 -0.230 -1.563
212 HA3 GLY 28 HA1 GLY 28 4.980 1.158 -1.953
213 HA PRO 29 HA PRO 29 7.647 -1.429 0.820
214 HB2 PRO 29 HB2 PRO 29 10.003 -1.006 -0.528
215 HB3 PRO 29 HB1 PRO 29 8.842 -2.257 -0.995
216 HG2 PRO 29 HG2 PRO 29 9.280 0.471 -2.185
217 HG3 PRO 29 HG1 PRO 29 8.971 -1.075 -3.003
218 HD2 PRO 29 HD2 PRO 29 7.024 0.826 -2.576
219 HD3 PRO 29 HD1 PRO 29 6.671 -0.911 -2.707
220 H ALA 30 HN ALA 30 8.079 -0.415 2.663
221 HA ALA 30 HA ALA 30 9.463 2.215 2.718
222 HB1 ALA 30 HB1 ALA 30 8.461 2.530 4.965
223 HB2 ALA 30 HB2 ALA 30 7.630 0.979 4.822
224 HB3 ALA 30 HB3 ALA 30 7.206 2.308 3.742
225 H LYS 31 HN LYS 31 11.433 2.279 3.776
226 HA LYS 31 HA LYS 31 12.853 -0.123 4.035
227 HB2 LYS 31 HB2 LYS 31 13.889 1.966 3.279
228 HB3 LYS 31 HB1 LYS 31 13.627 2.698 4.859
229 HG2 LYS 31 HG2 LYS 31 15.163 1.067 5.885
230 HG3 LYS 31 HG1 LYS 31 15.417 0.304 4.310
231 HD2 LYS 31 HD2 LYS 31 16.437 2.384 3.457
232 HD3 LYS 31 HD1 LYS 31 16.136 3.187 5.002
233 HE2 LYS 31 HE2 LYS 31 18.475 2.453 4.778
234 HE3 LYS 31 HE1 LYS 31 17.672 1.647 6.124
235 HZ1 LYS 31 HZ1 LYS 31 18.132 0.480 3.428
236 HZ2 LYS 31 HZ2 LYS 31 17.382 -0.305 4.719
237 HZ3 LYS 31 HZ3 LYS 31 19.015 0.123 4.824
238 H HIS 32 HN HIS 32 11.813 -1.402 5.612
239 HA HIS 32 HA HIS 32 12.347 -0.750 8.439
240 HB2 HIS 32 HB2 HIS 32 11.190 -3.290 7.198
241 HB3 HIS 32 HB1 HIS 32 11.303 -2.952 8.923
242 HD1 HIS 32 HD1 HIS 32 9.352 -2.060 5.846
243 HD2 HIS 32 HD2 HIS 32 9.316 -1.217 9.919
244 HE1 HIS 32 HE1 HIS 32 7.177 -0.887 6.271
245 HE2 HIS 32 HE2 HIS 32 7.246 -0.256 8.707
246 H TYR 33 HN TYR 33 13.945 -2.102 9.627
247 HA TYR 33 HA TYR 33 16.289 -2.065 7.969
248 HB2 TYR 33 HB2 TYR 33 15.857 -2.379 10.959
249 HB3 TYR 33 HB1 TYR 33 17.462 -2.458 10.230
250 HD1 TYR 33 HD2 TYR 33 18.415 -0.472 9.089
251 HD2 TYR 33 HD1 TYR 33 14.682 -0.221 11.136
252 HE1 TYR 33 HE2 TYR 33 18.543 1.977 9.022
253 HE2 TYR 33 HE1 TYR 33 14.806 2.229 11.053
254 HH TYR 33 HH TYR 33 16.616 3.977 10.865
255 H MET 34 HN MET 34 16.765 -3.683 6.763
256 HA MET 34 HA MET 34 16.596 -6.485 7.660
257 HB2 MET 34 HB2 MET 34 15.510 -5.993 5.480
258 HB3 MET 34 HB1 MET 34 16.993 -5.267 4.877
259 HG2 MET 34 HG2 MET 34 18.098 -7.529 5.134
260 HG3 MET 34 HG1 MET 34 16.506 -8.193 5.495
261 HE1 MET 34 HE1 MET 34 14.538 -8.376 3.660
262 HE2 MET 34 HE2 MET 34 14.653 -7.647 2.058
263 HE3 MET 34 HE3 MET 34 14.604 -6.622 3.490
264 H CYS 35 HN CYS 35 18.490 -7.675 7.800
265 HA CYS 35 HA CYS 35 20.874 -6.430 8.527
266 HB2 CYS 35 HB2 CYS 35 20.352 -8.628 9.342
267 HB3 CYS 35 HB1 CYS 35 20.261 -9.271 7.744
268 HA PRO 36 HA PRO 36 22.862 -5.715 4.469
269 HB2 PRO 36 HB2 PRO 36 25.345 -5.476 6.166
270 HB3 PRO 36 HB1 PRO 36 24.680 -4.345 4.975
271 HG2 PRO 36 HG2 PRO 36 24.478 -3.832 7.594
272 HG3 PRO 36 HG1 PRO 36 23.144 -3.454 6.486
273 HD2 PRO 36 HD2 PRO 36 23.429 -5.798 8.369
274 HD3 PRO 36 HD1 PRO 36 22.010 -4.769 8.053
275 H ILE 37 HN ILE 37 24.199 -7.865 7.001
276 HA ILE 37 HA ILE 37 26.095 -9.096 5.225
277 HB ILE 37 HB ILE 37 25.394 -9.878 8.088
278 HG12 ILE 37 HG12 ILE 37 27.490 -7.844 7.142
279 HG13 ILE 37 HG11 ILE 37 25.970 -7.435 7.924
280 HG21 ILE 37 HG21 ILE 37 27.699 -10.777 8.151
281 HG22 ILE 37 HG22 ILE 37 27.921 -10.333 6.458
282 HG23 ILE 37 HG23 ILE 37 26.731 -11.556 6.902
283 HD11 ILE 37 HD11 ILE 37 28.246 -8.962 9.178
284 HD12 ILE 37 HD12 ILE 37 26.721 -8.553 9.970
285 HD13 ILE 37 HD13 ILE 37 27.825 -7.275 9.462
286 H CYS 38 HN CYS 38 23.338 -10.505 7.137
287 HA CYS 38 HA CYS 38 23.010 -12.487 5.008
288 HB2 CYS 38 HB2 CYS 38 22.418 -14.149 6.749
289 HB3 CYS 38 HB1 CYS 38 24.074 -13.628 6.777
290 H GLY 39 HN GLY 39 21.383 -9.943 6.209
291 HA2 GLY 39 HA2 GLY 39 19.434 -9.099 5.576
292 HA3 GLY 39 HA1 GLY 39 19.325 -10.403 4.399
293 H GLU 40 HN GLU 40 19.215 -10.930 7.892
294 HA GLU 40 HA GLU 40 16.526 -11.719 8.083
295 HB2 GLU 40 HB2 GLU 40 18.371 -10.587 10.248
296 HB3 GLU 40 HB1 GLU 40 16.828 -11.361 10.560
297 HG2 GLU 40 HG2 GLU 40 18.618 -12.880 11.064
298 HG3 GLU 40 HG1 GLU 40 17.720 -13.492 9.684
299 H ARG 41 HN ARG 41 14.762 -10.456 7.862
300 HA ARG 41 HA ARG 41 14.755 -7.589 8.047
301 HB2 ARG 41 HB2 ARG 41 12.432 -9.576 8.015
302 HB3 ARG 41 HB1 ARG 41 12.264 -7.827 7.862
303 HG2 ARG 41 HG2 ARG 41 13.565 -7.895 5.753
304 HG3 ARG 41 HG1 ARG 41 13.694 -9.649 5.893
305 HD2 ARG 41 HD2 ARG 41 11.203 -9.800 5.792
306 HD3 ARG 41 HD1 ARG 41 11.135 -8.050 5.572
307 HE ARG 41 HE ARG 41 12.023 -8.277 3.414
308 HH11 ARG 41 HH11 ARG 41 11.646 -11.429 4.920
309 HH12 ARG 41 HH12 ARG 41 11.749 -12.288 3.418
310 HH21 ARG 41 HH21 ARG 41 12.121 -9.411 1.447
311 HH22 ARG 41 HH22 ARG 41 12.021 -11.142 1.445
312 H PHE 42 HN PHE 42 14.436 -6.375 9.819
313 HA PHE 42 HA PHE 42 13.243 -7.524 12.266
314 HB2 PHE 42 HB2 PHE 42 15.672 -5.693 12.035
315 HB3 PHE 42 HB1 PHE 42 14.791 -5.913 13.542
316 HD1 PHE 42 HD2 PHE 42 14.540 -8.317 14.468
317 HD2 PHE 42 HD1 PHE 42 17.376 -7.260 11.452
318 HE1 PHE 42 HE2 PHE 42 15.847 -10.346 14.981
319 HE2 PHE 42 HE1 PHE 42 18.667 -9.283 11.965
320 HZ PHE 42 HZ PHE 42 17.914 -10.826 13.730
321 HA PRO 43 HA PRO 43 10.299 -4.226 12.055
322 HB2 PRO 43 HB2 PRO 43 9.851 -3.616 14.718
323 HB3 PRO 43 HB1 PRO 43 9.246 -5.084 13.935
324 HG2 PRO 43 HG2 PRO 43 11.739 -4.728 15.603
325 HG3 PRO 43 HG1 PRO 43 10.495 -5.998 15.712
326 HD2 PRO 43 HD2 PRO 43 12.813 -6.457 14.441
327 HD3 PRO 43 HD1 PRO 43 11.288 -7.111 13.801
328 H SER 44 HN SER 44 13.357 -3.561 13.748
329 HA SER 44 HA SER 44 13.302 -0.759 13.086
330 HB2 SER 44 HB2 SER 44 13.049 -1.532 16.034
331 HB3 SER 44 HB1 SER 44 13.351 0.097 15.430
332 HG SER 44 HG SER 44 11.295 -0.308 14.211
333 H LEU 45 HN LEU 45 15.142 0.391 14.257
334 HA LEU 45 HA LEU 45 17.617 -1.058 13.876
335 HB2 LEU 45 HB2 LEU 45 18.615 1.275 14.338
336 HB3 LEU 45 HB1 LEU 45 17.653 1.064 12.894
337 HG LEU 45 HG LEU 45 15.710 2.109 14.185
338 HD11 LEU 45 HD11 LEU 45 17.858 3.032 16.107
339 HD12 LEU 45 HD12 LEU 45 16.529 1.934 16.480
340 HD13 LEU 45 HD13 LEU 45 16.188 3.608 16.057
341 HD21 LEU 45 HD21 LEU 45 16.425 4.411 13.743
342 HD22 LEU 45 HD22 LEU 45 16.907 3.327 12.444
343 HD23 LEU 45 HD23 LEU 45 18.103 3.875 13.619
344 H LEU 46 HN LEU 46 16.494 -2.285 15.985
345 HA LEU 46 HA LEU 46 18.069 -1.464 18.332
346 HB2 LEU 46 HB2 LEU 46 15.105 -2.223 18.468
347 HB3 LEU 46 HB1 LEU 46 16.172 -2.189 19.856
348 HG LEU 46 HG LEU 46 14.898 -0.219 20.036
349 HD11 LEU 46 HD11 LEU 46 17.259 0.201 20.457
350 HD12 LEU 46 HD12 LEU 46 16.471 1.634 19.807
351 HD13 LEU 46 HD13 LEU 46 17.504 0.653 18.766
352 HD21 LEU 46 HD21 LEU 46 14.512 1.423 18.253
353 HD22 LEU 46 HD22 LEU 46 13.891 -0.167 17.815
354 HD23 LEU 46 HD23 LEU 46 15.404 0.410 17.114
355 H THR 47 HN THR 47 15.743 -3.880 17.127
356 HA THR 47 HA THR 47 17.075 -6.170 18.128
357 HB THR 47 HB THR 47 15.567 -7.375 16.400
358 HG1 THR 47 HG1 THR 47 13.967 -5.163 16.115
359 HG21 THR 47 HG21 THR 47 13.497 -6.951 17.676
360 HG22 THR 47 HG22 THR 47 14.223 -5.514 18.397
361 HG23 THR 47 HG23 THR 47 14.886 -7.108 18.760
362 H LEU 48 HN LEU 48 17.237 -4.453 14.990
363 HA LEU 48 HA LEU 48 18.962 -6.275 13.666
364 HB2 LEU 48 HB2 LEU 48 17.601 -4.438 12.568
365 HB3 LEU 48 HB1 LEU 48 18.733 -3.265 13.199
366 HG LEU 48 HG LEU 48 18.967 -3.891 10.715
367 HD11 LEU 48 HD11 LEU 48 20.767 -2.688 11.858
368 HD12 LEU 48 HD12 LEU 48 21.398 -3.797 10.647
369 HD13 LEU 48 HD13 LEU 48 21.493 -4.217 12.359
370 HD21 LEU 48 HD21 LEU 48 18.652 -6.312 10.913
371 HD22 LEU 48 HD22 LEU 48 20.170 -6.454 11.805
372 HD23 LEU 48 HD23 LEU 48 20.176 -5.928 10.121
373 H THR 49 HN THR 49 19.563 -3.498 15.769
374 HA THR 49 HA THR 49 22.366 -3.319 15.523
375 HB THR 49 HB THR 49 20.686 -2.587 17.965
376 HG1 THR 49 HG1 THR 49 20.285 -0.669 16.954
377 HG21 THR 49 HG21 THR 49 22.392 -0.861 18.360
378 HG22 THR 49 HG22 THR 49 23.292 -1.401 16.940
379 HG23 THR 49 HG23 THR 49 23.135 -2.460 18.343
380 H GLU 50 HN GLU 50 20.316 -5.024 17.864
381 HA GLU 50 HA GLU 50 22.327 -6.218 19.449
382 HB2 GLU 50 HB2 GLU 50 19.491 -7.163 18.873
383 HB3 GLU 50 HB1 GLU 50 20.538 -7.898 20.087
384 HG2 GLU 50 HG2 GLU 50 20.661 -5.665 21.237
385 HG3 GLU 50 HG1 GLU 50 19.470 -5.058 20.088
386 H HIS 51 HN HIS 51 20.637 -7.406 16.552
387 HA HIS 51 HA HIS 51 21.871 -9.932 16.302
388 HB2 HIS 51 HB2 HIS 51 19.869 -9.420 15.047
389 HB3 HIS 51 HB1 HIS 51 20.635 -8.055 14.249
390 HD1 HIS 51 HD1 HIS 51 20.883 -11.867 14.302
391 HD2 HIS 51 HD2 HIS 51 21.690 -8.630 11.834
392 HE1 HIS 51 HE1 HIS 51 21.550 -12.826 12.067
393 H LYS 52 HN LYS 52 22.853 -6.732 15.233
394 HA LYS 52 HA LYS 52 25.008 -7.525 13.554
395 HB2 LYS 52 HB2 LYS 52 23.844 -5.398 13.233
396 HB3 LYS 52 HB1 LYS 52 24.368 -4.830 14.815
397 HG2 LYS 52 HG2 LYS 52 26.713 -4.816 14.046
398 HG3 LYS 52 HG1 LYS 52 26.211 -5.441 12.469
399 HD2 LYS 52 HD2 LYS 52 24.903 -3.398 12.058
400 HD3 LYS 52 HD1 LYS 52 25.335 -2.782 13.658
401 HE2 LYS 52 HE2 LYS 52 27.696 -2.711 13.010
402 HE3 LYS 52 HE1 LYS 52 27.301 -3.377 11.427
403 HZ1 LYS 52 HZ1 LYS 52 25.984 -1.407 10.967
404 HZ2 LYS 52 HZ2 LYS 52 27.581 -0.986 11.337
405 HZ3 LYS 52 HZ3 LYS 52 26.364 -0.766 12.484
406 H VAL 53 HN VAL 53 24.883 -6.528 16.996
407 HA VAL 53 HA VAL 53 27.752 -6.345 17.234
408 HB VAL 53 HB VAL 53 27.361 -5.936 19.628
409 HG11 VAL 53 HG11 VAL 53 27.238 -4.031 18.112
410 HG12 VAL 53 HG12 VAL 53 26.106 -3.815 19.449
411 HG13 VAL 53 HG13 VAL 53 25.512 -4.309 17.862
412 HG21 VAL 53 HG21 VAL 53 24.410 -6.416 19.076
413 HG22 VAL 53 HG22 VAL 53 25.085 -5.803 20.588
414 HG23 VAL 53 HG23 VAL 53 25.463 -7.440 20.055
415 H THR 54 HN THR 54 25.316 -8.777 17.872
416 HA THR 54 HA THR 54 27.311 -10.679 18.926
417 HB THR 54 HB THR 54 25.352 -12.159 19.364
418 HG1 THR 54 HG1 THR 54 23.447 -10.210 18.931
419 HG21 THR 54 HG21 THR 54 26.033 -10.582 21.138
420 HG22 THR 54 HG22 THR 54 24.284 -10.810 21.137
421 HG23 THR 54 HG23 THR 54 24.978 -9.342 20.450
422 H HIS 55 HN HIS 55 26.776 -9.707 15.947
423 HA HIS 55 HA HIS 55 26.044 -11.892 14.395
424 HB2 HIS 55 HB2 HIS 55 26.751 -9.306 13.805
425 HB3 HIS 55 HB1 HIS 55 28.199 -10.136 13.242
426 HD1 HIS 55 HD1 HIS 55 27.583 -12.212 11.482
427 HD2 HIS 55 HD2 HIS 55 24.774 -9.211 12.054
428 HE1 HIS 55 HE1 HIS 55 25.980 -12.358 9.534
Start of MODEL 14
1 H1 MET 1 HT1 MET 1 -11.452 24.621 7.514
2 H2 MET 1 HT2 MET 1 -11.567 23.129 6.743
3 H3 MET 1 HT3 MET 1 -10.066 23.867 6.906
4 HA MET 1 HA MET 1 -10.181 23.663 9.283
5 HB2 MET 1 HB2 MET 1 -12.636 23.751 9.496
6 HB3 MET 1 HB1 MET 1 -12.800 22.204 8.684
7 HG2 MET 1 HG2 MET 1 -11.730 21.069 10.567
8 HG3 MET 1 HG1 MET 1 -11.451 22.617 11.366
9 HE1 MET 1 HE1 MET 1 -13.440 24.170 12.308
10 HE2 MET 1 HE2 MET 1 -15.146 23.741 12.178
11 HE3 MET 1 HE3 MET 1 -14.228 24.154 10.730
12 H GLY 2 HN GLY 2 -9.017 21.971 10.132
13 HA2 GLY 2 HA2 GLY 2 -8.095 19.837 10.322
14 HA3 GLY 2 HA1 GLY 2 -8.972 19.326 8.887
15 H SER 3 HN SER 3 -6.658 18.332 8.769
16 HA SER 3 HA SER 3 -5.079 19.841 6.862
17 HB2 SER 3 HB2 SER 3 -3.900 18.939 9.522
18 HB3 SER 3 HB1 SER 3 -2.947 19.508 8.153
19 HG SER 3 HG SER 3 -4.273 21.485 8.347
20 H HIS 4 HN HIS 4 -5.440 18.224 5.366
21 HA HIS 4 HA HIS 4 -4.671 15.519 5.620
22 HB2 HIS 4 HB2 HIS 4 -4.679 17.406 3.234
23 HB3 HIS 4 HB1 HIS 4 -4.085 15.755 3.075
24 HD1 HIS 4 HD1 HIS 4 -5.826 14.348 2.081
25 HD2 HIS 4 HD2 HIS 4 -7.476 17.163 4.631
26 HE1 HIS 4 HE1 HIS 4 -8.279 13.855 2.115
27 HE2 HIS 4 HE2 HIS 4 -9.241 15.507 3.750
28 H LYS 5 HN LYS 5 -2.935 15.441 6.976
29 HA LYS 5 HA LYS 5 -0.271 16.002 5.845
30 HB2 LYS 5 HB2 LYS 5 -0.838 17.726 7.572
31 HB3 LYS 5 HB1 LYS 5 -1.139 16.439 8.736
32 HG2 LYS 5 HG2 LYS 5 1.222 15.798 8.709
33 HG3 LYS 5 HG1 LYS 5 1.558 16.971 7.427
34 HD2 LYS 5 HD2 LYS 5 2.274 17.817 9.652
35 HD3 LYS 5 HD1 LYS 5 1.018 18.831 8.946
36 HE2 LYS 5 HE2 LYS 5 -0.678 17.697 10.385
37 HE3 LYS 5 HE1 LYS 5 0.612 16.740 11.114
38 HZ1 LYS 5 HZ1 LYS 5 1.618 18.771 11.922
39 HZ2 LYS 5 HZ2 LYS 5 0.024 18.647 12.475
40 HZ3 LYS 5 HZ3 LYS 5 0.398 19.695 11.200
41 H CYS 6 HN CYS 6 1.358 14.467 6.669
42 HA CYS 6 HA CYS 6 0.158 11.943 6.056
43 HB2 CYS 6 HB2 CYS 6 2.234 12.760 4.963
44 HB3 CYS 6 HB1 CYS 6 3.099 12.515 6.488
45 H ASN 7 HN ASN 7 0.306 12.973 9.152
46 HA ASN 7 HA ASN 7 -0.487 11.919 10.930
47 HB2 ASN 7 HB2 ASN 7 -2.072 10.109 10.699
48 HB3 ASN 7 HB1 ASN 7 -2.278 11.224 9.369
49 HD21 ASN 7 HD21 ASN 7 -3.040 8.368 9.775
50 HD22 ASN 7 HD22 ASN 7 -2.456 7.545 8.375
51 H VAL 8 HN VAL 8 0.808 9.022 9.244
52 HA VAL 8 HA VAL 8 1.976 7.789 11.502
53 HB VAL 8 HB VAL 8 2.870 7.454 8.586
54 HG11 VAL 8 HG11 VAL 8 3.495 5.171 9.252
55 HG12 VAL 8 HG12 VAL 8 2.959 5.477 10.906
56 HG13 VAL 8 HG13 VAL 8 4.346 6.353 10.249
57 HG21 VAL 8 HG21 VAL 8 1.187 5.649 8.380
58 HG22 VAL 8 HG22 VAL 8 0.430 7.216 8.662
59 HG23 VAL 8 HG23 VAL 8 0.559 6.048 9.979
60 H CYS 9 HN CYS 9 3.432 9.636 8.814
61 HA CYS 9 HA CYS 9 5.939 10.181 10.033
62 HB2 CYS 9 HB2 CYS 9 4.401 11.620 7.850
63 HB3 CYS 9 HB1 CYS 9 6.021 12.080 8.339
64 H SER 10 HN SER 10 2.853 11.894 9.887
65 HA SER 10 HA SER 10 2.188 14.016 10.362
66 HB2 SER 10 HB2 SER 10 2.313 14.607 12.782
67 HB3 SER 10 HB1 SER 10 1.805 12.941 12.523
68 HG SER 10 HG SER 10 4.534 13.492 12.948
69 H ARG 11 HN ARG 11 3.471 15.269 8.891
70 HA ARG 11 HA ARG 11 5.992 16.363 9.881
71 HB2 ARG 11 HB2 ARG 11 5.717 14.796 7.298
72 HB3 ARG 11 HB1 ARG 11 6.953 16.035 7.480
73 HG2 ARG 11 HG2 ARG 11 6.669 13.549 9.195
74 HG3 ARG 11 HG1 ARG 11 7.858 13.807 7.917
75 HD2 ARG 11 HD2 ARG 11 7.644 15.413 10.484
76 HD3 ARG 11 HD1 ARG 11 8.832 14.147 10.160
77 HE ARG 11 HE ARG 11 8.890 16.243 8.196
78 HH11 ARG 11 HH11 ARG 11 10.074 15.409 11.410
79 HH12 ARG 11 HH12 ARG 11 11.421 16.496 11.309
80 HH21 ARG 11 HH21 ARG 11 10.650 17.643 8.099
81 HH22 ARG 11 HH22 ARG 11 11.758 17.755 9.430
82 H THR 12 HN THR 12 3.890 16.392 6.926
83 HA THR 12 HA THR 12 3.393 19.070 6.771
84 HB THR 12 HB THR 12 5.898 19.362 6.872
85 HG1 THR 12 HG1 THR 12 5.969 20.632 4.817
86 HG21 THR 12 HG21 THR 12 6.613 17.312 5.674
87 HG22 THR 12 HG22 THR 12 7.317 18.754 4.944
88 HG23 THR 12 HG23 THR 12 5.948 17.957 4.171
89 H PHE 13 HN PHE 13 3.694 19.598 4.091
90 HA PHE 13 HA PHE 13 3.110 17.507 2.293
91 HB2 PHE 13 HB2 PHE 13 0.745 18.427 1.642
92 HB3 PHE 13 HB1 PHE 13 0.828 17.356 3.021
93 HD1 PHE 13 HD1 PHE 13 0.563 18.292 5.346
94 HD2 PHE 13 HD2 PHE 13 0.105 20.762 1.889
95 HE1 PHE 13 HE1 PHE 13 -0.509 20.015 6.724
96 HE2 PHE 13 HE2 PHE 13 -0.976 22.485 3.273
97 HZ PHE 13 HZ PHE 13 -1.277 22.113 5.689
98 H PHE 14 HN PHE 14 3.248 18.304 0.158
99 HA PHE 14 HA PHE 14 4.250 21.008 -0.243
100 HB2 PHE 14 HB2 PHE 14 5.195 19.142 -1.554
101 HB3 PHE 14 HB1 PHE 14 3.610 18.736 -2.193
102 HD1 PHE 14 HD1 PHE 14 6.282 21.341 -2.243
103 HD2 PHE 14 HD2 PHE 14 2.775 19.830 -4.180
104 HE1 PHE 14 HE1 PHE 14 6.694 22.823 -4.158
105 HE2 PHE 14 HE2 PHE 14 3.202 21.312 -6.093
106 HZ PHE 14 HZ PHE 14 5.156 22.813 -6.085
107 H SER 15 HN SER 15 1.464 19.075 -0.962
108 HA SER 15 HA SER 15 -0.444 21.213 -0.942
109 HB2 SER 15 HB2 SER 15 -1.260 20.785 -3.292
110 HB3 SER 15 HB1 SER 15 0.363 21.470 -3.263
111 HG SER 15 HG SER 15 0.775 19.812 -4.510
112 H GLU 16 HN GLU 16 -2.676 20.023 -1.857
113 HA GLU 16 HA GLU 16 -3.254 17.803 -0.192
114 HB2 GLU 16 HB2 GLU 16 -4.667 18.851 -2.685
115 HB3 GLU 16 HB1 GLU 16 -5.314 17.563 -1.676
116 HG2 GLU 16 HG2 GLU 16 -4.761 20.399 -0.753
117 HG3 GLU 16 HG1 GLU 16 -6.341 19.755 -1.197
118 H ASN 17 HN ASN 17 -2.500 18.019 -3.676
119 HA ASN 17 HA ASN 17 -2.498 15.206 -4.219
120 HB2 ASN 17 HB2 ASN 17 -1.139 17.480 -5.738
121 HB3 ASN 17 HB1 ASN 17 -1.379 15.848 -6.352
122 HD21 ASN 17 HD21 ASN 17 -2.286 18.374 -7.441
123 HD22 ASN 17 HD22 ASN 17 -4.004 18.241 -7.574
124 H GLY 18 HN GLY 18 -0.168 17.536 -3.147
125 HA2 GLY 18 HA2 GLY 18 2.302 16.213 -3.440
126 HA3 GLY 18 HA1 GLY 18 1.957 17.429 -2.217
127 H LEU 19 HN LEU 19 0.166 16.343 -0.595
128 HA LEU 19 HA LEU 19 1.487 14.575 1.081
129 HB2 LEU 19 HB2 LEU 19 -0.420 16.221 1.545
130 HB3 LEU 19 HB1 LEU 19 -1.524 15.029 0.915
131 HG LEU 19 HG LEU 19 -1.329 15.207 3.463
132 HD11 LEU 19 HD11 LEU 19 -0.864 12.435 2.331
133 HD12 LEU 19 HD12 LEU 19 -2.417 13.263 2.443
134 HD13 LEU 19 HD13 LEU 19 -1.548 12.830 3.912
135 HD21 LEU 19 HD21 LEU 19 0.542 14.116 4.565
136 HD22 LEU 19 HD22 LEU 19 1.113 15.453 3.576
137 HD23 LEU 19 HD23 LEU 19 1.318 13.789 3.014
138 H ARG 20 HN ARG 20 -1.187 13.960 -1.185
139 HA ARG 20 HA ARG 20 -1.607 11.241 -0.559
140 HB2 ARG 20 HB2 ARG 20 -2.291 12.737 -3.099
141 HB3 ARG 20 HB1 ARG 20 -2.921 11.153 -2.641
142 HG2 ARG 20 HG2 ARG 20 -3.759 12.336 -0.478
143 HG3 ARG 20 HG1 ARG 20 -3.469 13.834 -1.361
144 HD2 ARG 20 HD2 ARG 20 -5.304 11.586 -2.171
145 HD3 ARG 20 HD1 ARG 20 -5.796 13.166 -1.557
146 HE ARG 20 HE ARG 20 -4.351 12.819 -4.122
147 HH11 ARG 20 HH11 ARG 20 -6.911 14.363 -2.306
148 HH12 ARG 20 HH12 ARG 20 -7.568 15.164 -3.696
149 HH21 ARG 20 HH21 ARG 20 -5.229 13.849 -5.922
150 HH22 ARG 20 HH22 ARG 20 -6.627 14.860 -5.744
151 H GLU 21 HN GLU 21 0.264 12.712 -3.186
152 HA GLU 21 HA GLU 21 1.266 10.491 -4.486
153 HB2 GLU 21 HB2 GLU 21 1.561 13.079 -4.950
154 HB3 GLU 21 HB1 GLU 21 3.020 12.930 -3.988
155 HG2 GLU 21 HG2 GLU 21 2.444 11.386 -6.548
156 HG3 GLU 21 HG1 GLU 21 3.408 12.853 -6.448
157 H HIS 22 HN HIS 22 2.490 12.128 -1.608
158 HA HIS 22 HA HIS 22 4.804 10.458 -1.252
159 HB2 HIS 22 HB2 HIS 22 5.064 12.638 -0.347
160 HB3 HIS 22 HB1 HIS 22 3.506 12.598 0.470
161 HD1 HIS 22 HD1 HIS 22 6.892 10.817 0.760
162 HD2 HIS 22 HD2 HIS 22 3.659 11.988 3.062
163 HE1 HIS 22 HE1 HIS 22 7.361 9.996 3.104
164 H LEU 23 HN LEU 23 1.467 10.162 -0.318
165 HA LEU 23 HA LEU 23 1.715 8.702 2.103
166 HB2 LEU 23 HB2 LEU 23 -0.317 9.968 1.205
167 HB3 LEU 23 HB1 LEU 23 -0.620 8.568 0.189
168 HG LEU 23 HG LEU 23 -0.724 7.171 2.322
169 HD11 LEU 23 HD11 LEU 23 -1.142 8.338 4.449
170 HD12 LEU 23 HD12 LEU 23 -0.810 9.885 3.669
171 HD13 LEU 23 HD13 LEU 23 0.471 8.682 3.825
172 HD21 LEU 23 HD21 LEU 23 -2.774 7.841 1.123
173 HD22 LEU 23 HD22 LEU 23 -2.811 9.361 2.022
174 HD23 LEU 23 HD23 LEU 23 -3.037 7.827 2.867
175 H GLN 24 HN GLN 24 1.920 7.699 -1.217
176 HA GLN 24 HA GLN 24 1.302 4.981 -1.114
177 HB2 GLN 24 HB2 GLN 24 3.378 6.353 -2.873
178 HB3 GLN 24 HB1 GLN 24 2.664 4.776 -3.171
179 HG2 GLN 24 HG2 GLN 24 0.442 5.816 -3.444
180 HG3 GLN 24 HG1 GLN 24 1.153 7.399 -3.135
181 HE21 GLN 24 HE21 GLN 24 2.495 8.339 -4.760
182 HE22 GLN 24 HE22 GLN 24 2.470 7.764 -6.387
183 H THR 25 HN THR 25 3.953 6.553 0.274
184 HA THR 25 HA THR 25 5.906 4.398 0.209
185 HB THR 25 HB THR 25 7.263 5.827 1.716
186 HG1 THR 25 HG1 THR 25 5.730 8.057 1.623
187 HG21 THR 25 HG21 THR 25 6.081 7.403 -0.590
188 HG22 THR 25 HG22 THR 25 7.416 6.260 -0.714
189 HG23 THR 25 HG23 THR 25 7.618 7.751 0.209
190 H HIS 26 HN HIS 26 3.087 4.697 1.870
191 HA HIS 26 HA HIS 26 3.997 3.142 4.247
192 HB2 HIS 26 HB2 HIS 26 1.662 5.112 4.199
193 HB3 HIS 26 HB1 HIS 26 2.285 4.248 5.606
194 HD1 HIS 26 HD1 HIS 26 4.708 4.999 6.412
195 HD2 HIS 26 HD2 HIS 26 2.882 7.466 3.633
196 HE1 HIS 26 HE1 HIS 26 6.061 7.109 6.340
197 H ARG 27 HN ARG 27 1.765 3.527 1.648
198 HA ARG 27 HA ARG 27 -0.340 1.854 2.356
199 HB2 ARG 27 HB2 ARG 27 -0.303 3.406 0.409
200 HB3 ARG 27 HB1 ARG 27 0.832 2.340 -0.409
201 HG2 ARG 27 HG2 ARG 27 -0.928 0.536 -0.336
202 HG3 ARG 27 HG1 ARG 27 -2.051 1.742 0.304
203 HD2 ARG 27 HD2 ARG 27 -2.334 1.456 -2.121
204 HD3 ARG 27 HD1 ARG 27 -1.782 3.091 -1.733
205 HE ARG 27 HE ARG 27 0.456 1.448 -2.258
206 HH11 ARG 27 HH11 ARG 27 -2.215 2.910 -4.019
207 HH12 ARG 27 HH12 ARG 27 -1.320 3.009 -5.503
208 HH21 ARG 27 HH21 ARG 27 1.590 1.586 -4.197
209 HH22 ARG 27 HH22 ARG 27 0.823 2.248 -5.606
210 H GLY 28 HN GLY 28 2.654 1.100 0.590
211 HA2 GLY 28 HA2 GLY 28 2.371 -1.800 1.193
212 HA3 GLY 28 HA1 GLY 28 3.401 -1.074 -0.032
213 HA PRO 29 HA PRO 29 6.376 -1.634 3.441
214 HB2 PRO 29 HB2 PRO 29 8.549 -2.215 1.922
215 HB3 PRO 29 HB1 PRO 29 7.292 -3.415 2.247
216 HG2 PRO 29 HG2 PRO 29 7.669 -1.696 -0.197
217 HG3 PRO 29 HG1 PRO 29 7.329 -3.439 -0.100
218 HD2 PRO 29 HD2 PRO 29 5.373 -1.563 -0.552
219 HD3 PRO 29 HD1 PRO 29 5.048 -3.095 0.281
220 H ALA 30 HN ALA 30 8.287 -0.438 4.027
221 HA ALA 30 HA ALA 30 8.648 2.198 2.687
222 HB1 ALA 30 HB1 ALA 30 9.385 3.032 4.907
223 HB2 ALA 30 HB2 ALA 30 9.091 1.439 5.608
224 HB3 ALA 30 HB3 ALA 30 7.744 2.394 4.985
225 H LYS 31 HN LYS 31 9.863 -0.076 1.682
226 HA LYS 31 HA LYS 31 12.206 -0.947 2.963
227 HB2 LYS 31 HB2 LYS 31 10.774 -2.201 1.242
228 HB3 LYS 31 HB1 LYS 31 11.572 -1.252 0.002
229 HG2 LYS 31 HG2 LYS 31 12.830 -3.192 -0.063
230 HG3 LYS 31 HG1 LYS 31 13.790 -2.231 1.058
231 HD2 LYS 31 HD2 LYS 31 11.782 -4.388 1.829
232 HD3 LYS 31 HD1 LYS 31 13.529 -4.588 1.785
233 HE2 LYS 31 HE2 LYS 31 13.703 -2.824 3.570
234 HE3 LYS 31 HE1 LYS 31 11.944 -2.822 3.679
235 HZ1 LYS 31 HZ1 LYS 31 13.737 -5.120 4.218
236 HZ2 LYS 31 HZ2 LYS 31 12.051 -5.177 4.272
237 HZ3 LYS 31 HZ3 LYS 31 12.899 -4.210 5.365
238 H HIS 32 HN HIS 32 14.323 -0.390 2.794
239 HA HIS 32 HA HIS 32 14.906 2.289 2.010
240 HB2 HIS 32 HB2 HIS 32 16.754 0.077 2.981
241 HB3 HIS 32 HB1 HIS 32 17.267 1.748 2.724
242 HD1 HIS 32 HD1 HIS 32 17.404 0.405 5.550
243 HD2 HIS 32 HD2 HIS 32 14.244 2.747 4.211
244 HE1 HIS 32 HE1 HIS 32 16.295 1.299 7.620
245 HE2 HIS 32 HE2 HIS 32 14.322 2.624 6.785
246 H TYR 33 HN TYR 33 15.600 -0.857 0.531
247 HA TYR 33 HA TYR 33 15.642 0.617 -2.002
248 HB2 TYR 33 HB2 TYR 33 18.079 -0.350 -1.113
249 HB3 TYR 33 HB1 TYR 33 17.492 -1.758 -1.963
250 HD1 TYR 33 HD2 TYR 33 16.478 -1.250 -4.425
251 HD2 TYR 33 HD1 TYR 33 19.315 1.235 -2.403
252 HE1 TYR 33 HE2 TYR 33 17.180 -0.289 -6.570
253 HE2 TYR 33 HE1 TYR 33 20.002 2.194 -4.552
254 HH TYR 33 HH TYR 33 18.238 1.872 -7.358
255 H MET 34 HN MET 34 13.844 -0.109 -2.976
256 HA MET 34 HA MET 34 13.179 -2.994 -2.964
257 HB2 MET 34 HB2 MET 34 11.305 -1.356 -2.720
258 HB3 MET 34 HB1 MET 34 11.735 -0.621 -4.259
259 HG2 MET 34 HG2 MET 34 11.201 -2.749 -5.410
260 HG3 MET 34 HG1 MET 34 10.741 -3.463 -3.864
261 HE1 MET 34 HE1 MET 34 9.200 -1.013 -2.426
262 HE2 MET 34 HE2 MET 34 8.587 -2.667 -2.451
263 HE3 MET 34 HE3 MET 34 7.547 -1.334 -2.946
264 H CYS 35 HN CYS 35 13.987 -4.239 -4.595
265 HA CYS 35 HA CYS 35 16.072 -3.219 -6.203
266 HB2 CYS 35 HB2 CYS 35 15.757 -5.528 -5.144
267 HB3 CYS 35 HB1 CYS 35 14.703 -5.897 -6.478
268 HA PRO 36 HA PRO 36 13.650 -1.495 -9.583
269 HB2 PRO 36 HB2 PRO 36 15.547 -1.761 -11.658
270 HB3 PRO 36 HB1 PRO 36 15.443 -0.415 -10.515
271 HG2 PRO 36 HG2 PRO 36 17.184 -2.874 -10.401
272 HG3 PRO 36 HG1 PRO 36 17.597 -1.185 -10.027
273 HD2 PRO 36 HD2 PRO 36 17.144 -2.927 -8.056
274 HD3 PRO 36 HD1 PRO 36 16.521 -1.263 -7.930
275 H ILE 37 HN ILE 37 15.352 -4.574 -10.483
276 HA ILE 37 HA ILE 37 13.458 -5.095 -12.618
277 HB ILE 37 HB ILE 37 15.720 -6.811 -11.499
278 HG12 ILE 37 HG12 ILE 37 15.751 -4.987 -13.960
279 HG13 ILE 37 HG11 ILE 37 16.469 -4.578 -12.409
280 HG21 ILE 37 HG21 ILE 37 14.220 -7.057 -14.138
281 HG22 ILE 37 HG22 ILE 37 14.091 -8.154 -12.764
282 HG23 ILE 37 HG23 ILE 37 15.608 -8.032 -13.647
283 HD11 ILE 37 HD11 ILE 37 18.024 -6.463 -12.636
284 HD12 ILE 37 HD12 ILE 37 18.154 -5.302 -13.958
285 HD13 ILE 37 HD13 ILE 37 17.321 -6.834 -14.217
286 H CYS 38 HN CYS 38 14.304 -6.753 -9.493
287 HA CYS 38 HA CYS 38 12.018 -8.555 -9.895
288 HB2 CYS 38 HB2 CYS 38 13.084 -10.096 -8.431
289 HB3 CYS 38 HB1 CYS 38 14.326 -9.493 -9.509
290 H GLY 39 HN GLY 39 13.283 -6.267 -7.443
291 HA2 GLY 39 HA2 GLY 39 12.189 -4.930 -6.000
292 HA3 GLY 39 HA1 GLY 39 10.670 -5.510 -6.667
293 H GLU 40 HN GLU 40 12.964 -7.719 -5.296
294 HA GLU 40 HA GLU 40 11.244 -8.678 -3.265
295 HB2 GLU 40 HB2 GLU 40 14.242 -9.072 -3.600
296 HB3 GLU 40 HB1 GLU 40 13.190 -10.040 -2.574
297 HG2 GLU 40 HG2 GLU 40 11.966 -10.870 -4.522
298 HG3 GLU 40 HG1 GLU 40 12.902 -9.826 -5.590
299 H ARG 41 HN ARG 41 11.814 -8.802 -0.918
300 HA ARG 41 HA ARG 41 12.479 -6.156 0.160
301 HB2 ARG 41 HB2 ARG 41 11.450 -8.580 1.698
302 HB3 ARG 41 HB1 ARG 41 11.428 -6.898 2.217
303 HG2 ARG 41 HG2 ARG 41 9.762 -8.123 -0.000
304 HG3 ARG 41 HG1 ARG 41 9.190 -7.652 1.598
305 HD2 ARG 41 HD2 ARG 41 9.618 -5.294 1.091
306 HD3 ARG 41 HD1 ARG 41 10.303 -5.725 -0.482
307 HE ARG 41 HE ARG 41 7.478 -6.256 0.257
308 HH11 ARG 41 HH11 ARG 41 9.806 -5.060 -2.072
309 HH12 ARG 41 HH12 ARG 41 8.615 -4.797 -3.303
310 HH21 ARG 41 HH21 ARG 41 5.933 -5.886 -1.353
311 HH22 ARG 41 HH22 ARG 41 6.423 -5.254 -2.894
312 H PHE 42 HN PHE 42 14.492 -5.776 0.904
313 HA PHE 42 HA PHE 42 16.172 -8.003 1.901
314 HB2 PHE 42 HB2 PHE 42 17.068 -5.274 0.855
315 HB3 PHE 42 HB1 PHE 42 18.117 -6.620 1.300
316 HD1 PHE 42 HD2 PHE 42 18.138 -8.711 -0.067
317 HD2 PHE 42 HD1 PHE 42 15.918 -5.271 -1.307
318 HE1 PHE 42 HE2 PHE 42 17.896 -9.675 -2.315
319 HE2 PHE 42 HE1 PHE 42 15.665 -6.252 -3.542
320 HZ PHE 42 HZ PHE 42 16.654 -8.448 -4.053
321 HA PRO 43 HA PRO 43 15.743 -6.487 6.060
322 HB2 PRO 43 HB2 PRO 43 18.338 -6.981 7.040
323 HB3 PRO 43 HB1 PRO 43 17.034 -8.172 6.950
324 HG2 PRO 43 HG2 PRO 43 19.280 -7.670 5.001
325 HG3 PRO 43 HG1 PRO 43 18.631 -9.217 5.589
326 HD2 PRO 43 HD2 PRO 43 17.963 -8.314 3.167
327 HD3 PRO 43 HD1 PRO 43 16.732 -9.090 4.191
328 H SER 44 HN SER 44 18.519 -5.332 4.184
329 HA SER 44 HA SER 44 18.020 -2.591 4.887
330 HB2 SER 44 HB2 SER 44 19.368 -3.398 6.876
331 HB3 SER 44 HB1 SER 44 20.703 -3.732 5.784
332 HG SER 44 HG SER 44 20.674 -1.633 6.920
333 H LEU 45 HN LEU 45 20.133 -1.304 4.017
334 HA LEU 45 HA LEU 45 20.182 -2.020 1.152
335 HB2 LEU 45 HB2 LEU 45 19.501 0.329 2.286
336 HB3 LEU 45 HB1 LEU 45 21.227 0.616 2.212
337 HG LEU 45 HG LEU 45 19.493 -0.018 -0.215
338 HD11 LEU 45 HD11 LEU 45 18.804 2.118 0.761
339 HD12 LEU 45 HD12 LEU 45 19.616 2.371 -0.780
340 HD13 LEU 45 HD13 LEU 45 20.473 2.693 0.730
341 HD21 LEU 45 HD21 LEU 45 21.382 0.801 -1.564
342 HD22 LEU 45 HD22 LEU 45 21.855 -0.587 -0.587
343 HD23 LEU 45 HD23 LEU 45 22.338 1.037 -0.096
344 H LEU 46 HN LEU 46 21.706 -3.751 2.229
345 HA LEU 46 HA LEU 46 24.436 -3.028 1.421
346 HB2 LEU 46 HB2 LEU 46 23.885 -4.715 3.912
347 HB3 LEU 46 HB1 LEU 46 25.455 -4.448 3.180
348 HG LEU 46 HG LEU 46 24.990 -1.899 3.735
349 HD11 LEU 46 HD11 LEU 46 23.167 -3.207 5.774
350 HD12 LEU 46 HD12 LEU 46 22.670 -2.129 4.473
351 HD13 LEU 46 HD13 LEU 46 23.681 -1.515 5.776
352 HD21 LEU 46 HD21 LEU 46 25.744 -3.876 5.912
353 HD22 LEU 46 HD22 LEU 46 26.086 -2.145 5.926
354 HD23 LEU 46 HD23 LEU 46 26.830 -3.176 4.710
355 H THR 47 HN THR 47 22.226 -5.601 2.479
356 HA THR 47 HA THR 47 23.247 -7.711 0.925
357 HB THR 47 HB THR 47 20.927 -8.751 1.208
358 HG1 THR 47 HG1 THR 47 19.358 -7.574 2.004
359 HG21 THR 47 HG21 THR 47 22.264 -7.697 3.732
360 HG22 THR 47 HG22 THR 47 22.696 -9.177 2.874
361 HG23 THR 47 HG23 THR 47 21.123 -9.037 3.660
362 H LEU 48 HN LEU 48 20.993 -5.095 0.076
363 HA LEU 48 HA LEU 48 20.168 -6.011 -2.456
364 HB2 LEU 48 HB2 LEU 48 19.251 -3.934 -1.272
365 HB3 LEU 48 HB1 LEU 48 20.730 -3.105 -1.704
366 HG LEU 48 HG LEU 48 18.636 -2.624 -3.139
367 HD11 LEU 48 HD11 LEU 48 19.824 -2.350 -5.233
368 HD12 LEU 48 HD12 LEU 48 21.109 -3.424 -4.676
369 HD13 LEU 48 HD13 LEU 48 20.839 -1.876 -3.872
370 HD21 LEU 48 HD21 LEU 48 19.256 -5.319 -4.362
371 HD22 LEU 48 HD22 LEU 48 18.090 -4.141 -4.974
372 HD23 LEU 48 HD23 LEU 48 17.827 -4.907 -3.413
373 H THR 49 HN THR 49 23.094 -4.287 -1.437
374 HA THR 49 HA THR 49 24.150 -3.710 -4.006
375 HB THR 49 HB THR 49 25.745 -4.020 -1.417
376 HG1 THR 49 HG1 THR 49 25.176 -1.812 -1.060
377 HG21 THR 49 HG21 THR 49 26.155 -2.203 -3.832
378 HG22 THR 49 HG22 THR 49 27.109 -3.635 -3.443
379 HG23 THR 49 HG23 THR 49 27.160 -2.230 -2.382
380 H GLU 50 HN GLU 50 24.755 -6.281 -1.671
381 HA GLU 50 HA GLU 50 26.638 -7.827 -3.102
382 HB2 GLU 50 HB2 GLU 50 24.580 -8.831 -1.085
383 HB3 GLU 50 HB1 GLU 50 26.091 -9.619 -1.519
384 HG2 GLU 50 HG2 GLU 50 25.812 -6.980 -0.058
385 HG3 GLU 50 HG1 GLU 50 26.253 -8.525 0.661
386 H HIS 51 HN HIS 51 23.099 -7.911 -3.020
387 HA HIS 51 HA HIS 51 22.733 -10.309 -4.491
388 HB2 HIS 51 HB2 HIS 51 20.961 -9.819 -3.070
389 HB3 HIS 51 HB1 HIS 51 20.976 -8.105 -3.442
390 HD1 HIS 51 HD1 HIS 51 19.607 -11.378 -4.731
391 HD2 HIS 51 HD2 HIS 51 19.302 -7.295 -5.443
392 HE1 HIS 51 HE1 HIS 51 17.626 -11.063 -6.275
393 H LYS 52 HN LYS 52 22.525 -6.903 -5.470
394 HA LYS 52 HA LYS 52 21.079 -7.121 -7.795
395 HB2 LYS 52 HB2 LYS 52 21.996 -4.886 -8.412
396 HB3 LYS 52 HB1 LYS 52 21.457 -4.979 -6.742
397 HG2 LYS 52 HG2 LYS 52 23.825 -5.280 -6.030
398 HG3 LYS 52 HG1 LYS 52 24.333 -5.061 -7.703
399 HD2 LYS 52 HD2 LYS 52 22.740 -2.956 -6.190
400 HD3 LYS 52 HD1 LYS 52 24.499 -3.022 -6.134
401 HE2 LYS 52 HE2 LYS 52 23.814 -1.383 -7.776
402 HE3 LYS 52 HE1 LYS 52 24.562 -2.744 -8.608
403 HZ1 LYS 52 HZ1 LYS 52 22.573 -1.920 -9.707
404 HZ2 LYS 52 HZ2 LYS 52 21.641 -2.301 -8.354
405 HZ3 LYS 52 HZ3 LYS 52 22.398 -3.529 -9.236
406 H VAL 53 HN VAL 53 24.512 -7.649 -7.420
407 HA VAL 53 HA VAL 53 25.388 -7.455 -10.084
408 HB VAL 53 HB VAL 53 27.391 -8.666 -9.370
409 HG11 VAL 53 HG11 VAL 53 28.087 -7.264 -7.452
410 HG12 VAL 53 HG12 VAL 53 26.402 -6.815 -7.172
411 HG13 VAL 53 HG13 VAL 53 27.210 -6.326 -8.662
412 HG21 VAL 53 HG21 VAL 53 26.393 -10.515 -8.103
413 HG22 VAL 53 HG22 VAL 53 25.868 -9.400 -6.841
414 HG23 VAL 53 HG23 VAL 53 27.590 -9.684 -7.109
415 H THR 54 HN THR 54 23.603 -9.991 -8.521
416 HA THR 54 HA THR 54 24.388 -12.110 -10.339
417 HB THR 54 HB THR 54 22.904 -13.577 -9.041
418 HG1 THR 54 HG1 THR 54 21.814 -11.173 -8.225
419 HG21 THR 54 HG21 THR 54 23.989 -13.384 -6.820
420 HG22 THR 54 HG22 THR 54 24.564 -11.769 -7.235
421 HG23 THR 54 HG23 THR 54 25.161 -13.173 -8.123
422 H HIS 55 HN HIS 55 22.300 -9.590 -10.827
423 HA HIS 55 HA HIS 55 20.144 -10.981 -12.172
424 HB2 HIS 55 HB2 HIS 55 20.933 -8.084 -11.827
425 HB3 HIS 55 HB1 HIS 55 19.842 -8.487 -13.139
426 HD1 HIS 55 HD1 HIS 55 17.496 -9.534 -12.434
427 HD2 HIS 55 HD2 HIS 55 19.769 -7.949 -9.338
428 HE1 HIS 55 HE1 HIS 55 15.910 -9.167 -10.506
Start of MODEL 15
1 H1 MET 1 HT1 MET 1 -5.874 26.490 3.309
2 H2 MET 1 HT2 MET 1 -4.686 25.302 3.470
3 H3 MET 1 HT3 MET 1 -6.282 24.965 3.907
4 HA MET 1 HA MET 1 -6.996 25.231 1.622
5 HB2 MET 1 HB2 MET 1 -4.004 25.562 1.112
6 HB3 MET 1 HB1 MET 1 -5.200 25.353 -0.159
7 HG2 MET 1 HG2 MET 1 -4.554 27.680 -0.005
8 HG3 MET 1 HG1 MET 1 -6.236 27.516 0.506
9 HE1 MET 1 HE1 MET 1 -4.258 30.057 1.082
10 HE2 MET 1 HE2 MET 1 -4.722 30.437 2.739
11 HE3 MET 1 HE3 MET 1 -5.964 30.032 1.555
12 H GLY 2 HN GLY 2 -6.112 23.550 -0.231
13 HA2 GLY 2 HA2 GLY 2 -6.259 20.927 0.767
14 HA3 GLY 2 HA1 GLY 2 -5.713 21.378 -0.842
15 H SER 3 HN SER 3 -4.751 20.481 2.343
16 HA SER 3 HA SER 3 -2.095 19.718 1.676
17 HB2 SER 3 HB2 SER 3 -1.007 21.285 3.401
18 HB3 SER 3 HB1 SER 3 -1.541 22.078 1.920
19 HG SER 3 HG SER 3 -3.604 22.188 3.481
20 H HIS 4 HN HIS 4 -2.288 17.686 2.772
21 HA HIS 4 HA HIS 4 -3.825 17.652 5.279
22 HB2 HIS 4 HB2 HIS 4 -4.035 16.042 2.960
23 HB3 HIS 4 HB1 HIS 4 -3.187 15.011 4.095
24 HD1 HIS 4 HD1 HIS 4 -6.489 15.936 3.079
25 HD2 HIS 4 HD2 HIS 4 -4.729 14.843 6.680
26 HE1 HIS 4 HE1 HIS 4 -8.379 15.210 4.566
27 HE2 HIS 4 HE2 HIS 4 -7.285 14.517 6.727
28 H LYS 5 HN LYS 5 -3.032 15.934 6.837
29 HA LYS 5 HA LYS 5 -0.088 16.130 7.128
30 HB2 LYS 5 HB2 LYS 5 -1.455 17.299 8.870
31 HB3 LYS 5 HB1 LYS 5 -2.215 15.771 9.288
32 HG2 LYS 5 HG2 LYS 5 0.055 14.892 9.913
33 HG3 LYS 5 HG1 LYS 5 0.712 16.506 9.639
34 HD2 LYS 5 HD2 LYS 5 -1.406 15.753 11.699
35 HD3 LYS 5 HD1 LYS 5 0.292 16.073 12.040
36 HE2 LYS 5 HE2 LYS 5 -0.872 18.053 12.659
37 HE3 LYS 5 HE1 LYS 5 -0.107 18.431 11.121
38 HZ1 LYS 5 HZ1 LYS 5 -2.927 17.545 11.330
39 HZ2 LYS 5 HZ2 LYS 5 -2.163 18.277 10.011
40 HZ3 LYS 5 HZ3 LYS 5 -2.473 19.170 11.409
41 H CYS 6 HN CYS 6 0.857 14.244 6.565
42 HA CYS 6 HA CYS 6 -0.315 11.648 6.782
43 HB2 CYS 6 HB2 CYS 6 1.542 12.176 5.203
44 HB3 CYS 6 HB1 CYS 6 2.615 12.433 6.560
45 H ASN 7 HN ASN 7 -1.092 11.460 8.896
46 HA ASN 7 HA ASN 7 0.132 12.059 11.305
47 HB2 ASN 7 HB2 ASN 7 -1.759 9.726 10.796
48 HB3 ASN 7 HB1 ASN 7 -1.481 10.518 12.345
49 HD21 ASN 7 HD21 ASN 7 -2.277 12.648 12.643
50 HD22 ASN 7 HD22 ASN 7 -3.554 13.282 11.667
51 H VAL 8 HN VAL 8 0.581 9.214 9.300
52 HA VAL 8 HA VAL 8 1.889 7.431 11.010
53 HB VAL 8 HB VAL 8 2.559 7.857 8.061
54 HG11 VAL 8 HG11 VAL 8 3.081 5.441 8.046
55 HG12 VAL 8 HG12 VAL 8 2.761 5.344 9.781
56 HG13 VAL 8 HG13 VAL 8 4.110 6.314 9.181
57 HG21 VAL 8 HG21 VAL 8 0.284 6.217 9.243
58 HG22 VAL 8 HG22 VAL 8 0.749 6.242 7.536
59 HG23 VAL 8 HG23 VAL 8 0.140 7.706 8.308
60 H CYS 9 HN CYS 9 3.186 10.037 9.034
61 HA CYS 9 HA CYS 9 5.918 9.839 10.077
62 HB2 CYS 9 HB2 CYS 9 4.588 11.691 8.070
63 HB3 CYS 9 HB1 CYS 9 6.266 11.834 8.560
64 H SER 10 HN SER 10 3.036 11.544 10.633
65 HA SER 10 HA SER 10 2.247 13.031 12.092
66 HB2 SER 10 HB2 SER 10 5.047 13.123 13.280
67 HB3 SER 10 HB1 SER 10 3.617 13.877 13.994
68 HG SER 10 HG SER 10 2.778 11.537 13.723
69 H ARG 11 HN ARG 11 3.977 13.670 9.546
70 HA ARG 11 HA ARG 11 4.125 16.610 9.941
71 HB2 ARG 11 HB2 ARG 11 5.795 14.839 8.106
72 HB3 ARG 11 HB1 ARG 11 5.835 16.601 8.102
73 HG2 ARG 11 HG2 ARG 11 6.567 16.509 10.519
74 HG3 ARG 11 HG1 ARG 11 6.717 14.757 10.347
75 HD2 ARG 11 HD2 ARG 11 8.389 15.065 8.578
76 HD3 ARG 11 HD1 ARG 11 8.223 16.822 8.694
77 HE ARG 11 HE ARG 11 9.124 15.196 11.004
78 HH11 ARG 11 HH11 ARG 11 9.677 17.889 8.799
79 HH12 ARG 11 HH12 ARG 11 11.121 18.402 9.608
80 HH21 ARG 11 HH21 ARG 11 11.009 15.920 12.053
81 HH22 ARG 11 HH22 ARG 11 11.868 17.295 11.432
82 H THR 12 HN THR 12 4.108 17.655 7.606
83 HA THR 12 HA THR 12 1.577 16.779 6.326
84 HB THR 12 HB THR 12 1.211 18.714 7.898
85 HG1 THR 12 HG1 THR 12 0.868 19.632 5.227
86 HG21 THR 12 HG21 THR 12 3.396 19.863 7.657
87 HG22 THR 12 HG22 THR 12 2.054 20.957 7.327
88 HG23 THR 12 HG23 THR 12 2.984 20.282 5.987
89 H PHE 13 HN PHE 13 1.363 17.276 4.125
90 HA PHE 13 HA PHE 13 3.700 18.424 2.699
91 HB2 PHE 13 HB2 PHE 13 2.406 16.120 2.026
92 HB3 PHE 13 HB1 PHE 13 1.350 17.238 1.195
93 HD1 PHE 13 HD1 PHE 13 2.346 18.756 -0.621
94 HD2 PHE 13 HD2 PHE 13 4.538 15.518 1.116
95 HE1 PHE 13 HE1 PHE 13 3.877 18.737 -2.549
96 HE2 PHE 13 HE2 PHE 13 6.063 15.516 -0.813
97 HZ PHE 13 HZ PHE 13 5.729 17.122 -2.654
98 H PHE 14 HN PHE 14 3.426 20.431 1.703
99 HA PHE 14 HA PHE 14 1.202 22.036 2.507
100 HB2 PHE 14 HB2 PHE 14 3.314 22.766 0.443
101 HB3 PHE 14 HB1 PHE 14 2.334 23.867 1.402
102 HD1 PHE 14 HD2 PHE 14 2.624 23.575 4.068
103 HD2 PHE 14 HD1 PHE 14 5.513 22.377 1.146
104 HE1 PHE 14 HE2 PHE 14 4.392 23.673 5.770
105 HE2 PHE 14 HE1 PHE 14 7.279 22.473 2.863
106 HZ PHE 14 HZ PHE 14 6.726 23.121 5.169
107 H SER 15 HN SER 15 1.343 19.819 0.003
108 HA SER 15 HA SER 15 -1.007 21.046 -1.301
109 HB2 SER 15 HB2 SER 15 1.185 19.429 -2.671
110 HB3 SER 15 HB1 SER 15 -0.249 20.119 -3.437
111 HG SER 15 HG SER 15 0.816 22.134 -2.249
112 H GLU 16 HN GLU 16 -2.737 19.716 -1.517
113 HA GLU 16 HA GLU 16 -3.083 17.547 0.193
114 HB2 GLU 16 HB2 GLU 16 -4.901 19.045 -0.653
115 HB3 GLU 16 HB1 GLU 16 -4.783 18.292 -2.230
116 HG2 GLU 16 HG2 GLU 16 -6.719 17.474 -0.960
117 HG3 GLU 16 HG1 GLU 16 -5.582 16.173 -1.327
118 H ASN 17 HN ASN 17 -3.001 17.454 -3.391
119 HA ASN 17 HA ASN 17 -3.043 14.602 -3.579
120 HB2 ASN 17 HB2 ASN 17 -2.198 16.638 -5.683
121 HB3 ASN 17 HB1 ASN 17 -2.518 14.932 -5.991
122 HD21 ASN 17 HD21 ASN 17 -4.191 15.359 -7.466
123 HD22 ASN 17 HD22 ASN 17 -5.705 16.038 -6.995
124 H GLY 18 HN GLY 18 -0.567 16.894 -3.018
125 HA2 GLY 18 HA2 GLY 18 1.718 15.344 -3.834
126 HA3 GLY 18 HA1 GLY 18 1.713 16.774 -2.804
127 H LEU 19 HN LEU 19 0.002 15.894 -0.717
128 HA LEU 19 HA LEU 19 1.510 14.188 0.911
129 HB2 LEU 19 HB2 LEU 19 -0.297 15.887 1.573
130 HB3 LEU 19 HB1 LEU 19 -1.488 14.694 1.149
131 HG LEU 19 HG LEU 19 -1.021 14.947 3.625
132 HD11 LEU 19 HD11 LEU 19 -1.078 12.593 4.208
133 HD12 LEU 19 HD12 LEU 19 -0.556 12.155 2.576
134 HD13 LEU 19 HD13 LEU 19 -2.120 12.935 2.827
135 HD21 LEU 19 HD21 LEU 19 1.632 13.629 2.994
136 HD22 LEU 19 HD22 LEU 19 0.983 13.973 4.600
137 HD23 LEU 19 HD23 LEU 19 1.392 15.298 3.518
138 H ARG 20 HN ARG 20 -1.427 13.573 -0.952
139 HA ARG 20 HA ARG 20 -1.700 10.812 -0.505
140 HB2 ARG 20 HB2 ARG 20 -2.504 12.387 -2.988
141 HB3 ARG 20 HB1 ARG 20 -3.165 10.824 -2.505
142 HG2 ARG 20 HG2 ARG 20 -3.449 13.422 -0.950
143 HG3 ARG 20 HG1 ARG 20 -4.687 12.692 -1.972
144 HD2 ARG 20 HD2 ARG 20 -4.865 10.779 -0.482
145 HD3 ARG 20 HD1 ARG 20 -3.504 11.354 0.482
146 HE ARG 20 HE ARG 20 -4.908 12.729 1.605
147 HH11 ARG 20 HH11 ARG 20 -6.556 11.970 -1.428
148 HH12 ARG 20 HH12 ARG 20 -8.034 12.734 -0.936
149 HH21 ARG 20 HH21 ARG 20 -6.853 13.653 2.231
150 HH22 ARG 20 HH22 ARG 20 -8.207 13.677 1.149
151 H GLU 21 HN GLU 21 0.274 12.569 -2.834
152 HA GLU 21 HA GLU 21 1.195 10.284 -4.291
153 HB2 GLU 21 HB2 GLU 21 1.138 12.583 -5.247
154 HB3 GLU 21 HB1 GLU 21 2.374 13.085 -4.101
155 HG2 GLU 21 HG2 GLU 21 3.957 11.487 -5.141
156 HG3 GLU 21 HG1 GLU 21 2.712 11.021 -6.303
157 H HIS 22 HN HIS 22 2.322 12.141 -1.510
158 HA HIS 22 HA HIS 22 4.821 10.860 -1.090
159 HB2 HIS 22 HB2 HIS 22 4.583 12.916 0.073
160 HB3 HIS 22 HB1 HIS 22 2.959 12.531 0.628
161 HD1 HIS 22 HD1 HIS 22 6.571 11.578 1.362
162 HD2 HIS 22 HD2 HIS 22 2.813 11.457 3.126
163 HE1 HIS 22 HE1 HIS 22 6.914 10.706 3.705
164 H LEU 23 HN LEU 23 1.524 10.177 -0.132
165 HA LEU 23 HA LEU 23 1.906 8.169 1.756
166 HB2 LEU 23 HB2 LEU 23 -0.231 9.578 0.766
167 HB3 LEU 23 HB1 LEU 23 -0.531 8.026 0.022
168 HG LEU 23 HG LEU 23 -0.257 8.501 3.013
169 HD11 LEU 23 HD11 LEU 23 -2.255 9.595 2.134
170 HD12 LEU 23 HD12 LEU 23 -2.687 8.214 3.139
171 HD13 LEU 23 HD13 LEU 23 -2.774 8.085 1.380
172 HD21 LEU 23 HD21 LEU 23 -1.147 6.002 1.539
173 HD22 LEU 23 HD22 LEU 23 -1.149 6.227 3.291
174 HD23 LEU 23 HD23 LEU 23 0.376 6.212 2.409
175 H GLN 24 HN GLN 24 2.161 8.089 -1.712
176 HA GLN 24 HA GLN 24 1.715 5.376 -2.237
177 HB2 GLN 24 HB2 GLN 24 3.509 7.296 -3.734
178 HB3 GLN 24 HB1 GLN 24 2.863 5.781 -4.356
179 HG2 GLN 24 HG2 GLN 24 1.255 8.239 -3.594
180 HG3 GLN 24 HG1 GLN 24 1.618 7.677 -5.212
181 HE21 GLN 24 HE21 GLN 24 -0.946 8.149 -3.878
182 HE22 GLN 24 HE22 GLN 24 -1.831 6.676 -4.035
183 H THR 25 HN THR 25 4.361 6.855 -0.598
184 HA THR 25 HA THR 25 6.290 4.753 -1.112
185 HB THR 25 HB THR 25 6.983 7.155 -0.632
186 HG1 THR 25 HG1 THR 25 8.149 4.877 -0.118
187 HG21 THR 25 HG21 THR 25 6.490 6.294 2.237
188 HG22 THR 25 HG22 THR 25 5.536 7.490 1.370
189 HG23 THR 25 HG23 THR 25 7.235 7.805 1.710
190 H HIS 26 HN HIS 26 3.724 5.306 1.065
191 HA HIS 26 HA HIS 26 4.532 3.318 3.060
192 HB2 HIS 26 HB2 HIS 26 2.025 5.054 2.847
193 HB3 HIS 26 HB1 HIS 26 2.370 3.947 4.173
194 HD1 HIS 26 HD1 HIS 26 4.477 4.596 5.702
195 HD2 HIS 26 HD2 HIS 26 3.129 7.556 3.110
196 HE1 HIS 26 HE1 HIS 26 5.417 6.772 6.558
197 H ARG 27 HN ARG 27 4.336 2.091 0.603
198 HA ARG 27 HA ARG 27 1.587 1.299 -0.026
199 HB2 ARG 27 HB2 ARG 27 2.555 0.288 -2.056
200 HB3 ARG 27 HB1 ARG 27 3.086 1.954 -1.864
201 HG2 ARG 27 HG2 ARG 27 5.269 1.166 -1.003
202 HG3 ARG 27 HG1 ARG 27 4.743 -0.507 -1.214
203 HD2 ARG 27 HD2 ARG 27 6.145 0.144 -3.094
204 HD3 ARG 27 HD1 ARG 27 4.486 -0.080 -3.665
205 HE ARG 27 HE ARG 27 5.117 2.630 -2.924
206 HH11 ARG 27 HH11 ARG 27 5.235 0.356 -5.614
207 HH12 ARG 27 HH12 ARG 27 5.266 1.612 -6.808
208 HH21 ARG 27 HH21 ARG 27 5.140 4.225 -4.491
209 HH22 ARG 27 HH22 ARG 27 5.220 3.808 -6.170
210 H GLY 28 HN GLY 28 4.025 0.150 1.964
211 HA2 GLY 28 HA2 GLY 28 2.855 -2.550 2.152
212 HA3 GLY 28 HA1 GLY 28 4.598 -2.353 2.003
213 HA PRO 29 HA PRO 29 3.469 -2.111 6.544
214 HB2 PRO 29 HB2 PRO 29 5.208 -4.347 7.175
215 HB3 PRO 29 HB1 PRO 29 3.446 -4.312 7.195
216 HG2 PRO 29 HG2 PRO 29 4.983 -5.790 5.394
217 HG3 PRO 29 HG1 PRO 29 3.285 -5.334 5.150
218 HD2 PRO 29 HD2 PRO 29 5.772 -4.048 4.051
219 HD3 PRO 29 HD1 PRO 29 4.201 -4.319 3.266
220 H ALA 30 HN ALA 30 4.585 -0.436 7.480
221 HA ALA 30 HA ALA 30 7.481 -0.229 7.386
222 HB1 ALA 30 HB1 ALA 30 5.495 1.370 9.043
223 HB2 ALA 30 HB2 ALA 30 6.092 1.821 7.448
224 HB3 ALA 30 HB3 ALA 30 7.209 1.750 8.810
225 H LYS 31 HN LYS 31 5.242 -0.332 10.164
226 HA LYS 31 HA LYS 31 6.502 -2.766 11.212
227 HB2 LYS 31 HB2 LYS 31 6.194 -0.177 12.805
228 HB3 LYS 31 HB1 LYS 31 6.144 -1.735 13.604
229 HG2 LYS 31 HG2 LYS 31 8.354 -1.152 13.921
230 HG3 LYS 31 HG1 LYS 31 8.461 -2.140 12.466
231 HD2 LYS 31 HD2 LYS 31 8.373 0.049 11.129
232 HD3 LYS 31 HD1 LYS 31 8.579 0.892 12.666
233 HE2 LYS 31 HE2 LYS 31 10.742 0.636 11.534
234 HE3 LYS 31 HE1 LYS 31 10.719 -0.325 13.015
235 HZ1 LYS 31 HZ1 LYS 31 10.273 -2.294 11.692
236 HZ2 LYS 31 HZ2 LYS 31 11.687 -1.535 11.157
237 HZ3 LYS 31 HZ3 LYS 31 10.255 -1.373 10.271
238 H HIS 32 HN HIS 32 4.459 -3.304 9.946
239 HA HIS 32 HA HIS 32 1.959 -2.695 11.443
240 HB2 HIS 32 HB2 HIS 32 2.168 -1.651 9.136
241 HB3 HIS 32 HB1 HIS 32 2.197 -3.267 8.451
242 HD1 HIS 32 HD1 HIS 32 -0.058 -0.825 10.153
243 HD2 HIS 32 HD2 HIS 32 -0.312 -4.490 8.259
244 HE1 HIS 32 HE1 HIS 32 -2.502 -1.205 9.782
245 HE2 HIS 32 HE2 HIS 32 -2.601 -3.325 8.444
246 H TYR 33 HN TYR 33 1.579 -4.500 12.625
247 HA TYR 33 HA TYR 33 2.222 -7.150 11.465
248 HB2 TYR 33 HB2 TYR 33 2.647 -6.075 14.276
249 HB3 TYR 33 HB1 TYR 33 2.627 -7.809 13.955
250 HD1 TYR 33 HD1 TYR 33 4.381 -4.627 13.102
251 HD2 TYR 33 HD2 TYR 33 4.565 -8.886 12.996
252 HE1 TYR 33 HE1 TYR 33 6.719 -4.511 12.368
253 HE2 TYR 33 HE2 TYR 33 6.907 -8.769 12.272
254 HH TYR 33 HH TYR 33 8.387 -7.114 11.076
255 H MET 34 HN MET 34 0.932 -8.809 11.785
256 HA MET 34 HA MET 34 -1.705 -8.483 13.089
257 HB2 MET 34 HB2 MET 34 -1.794 -9.034 10.654
258 HB3 MET 34 HB1 MET 34 -0.757 -10.429 10.913
259 HG2 MET 34 HG2 MET 34 -2.575 -11.362 12.429
260 HG3 MET 34 HG1 MET 34 -3.606 -10.054 11.841
261 HE1 MET 34 HE1 MET 34 -3.936 -10.970 8.023
262 HE2 MET 34 HE2 MET 34 -2.773 -9.857 8.740
263 HE3 MET 34 HE3 MET 34 -4.447 -9.868 9.302
264 H CYS 35 HN CYS 35 -2.250 -10.038 14.702
265 HA CYS 35 HA CYS 35 -0.176 -11.272 16.173
266 HB2 CYS 35 HB2 CYS 35 -2.195 -10.679 17.295
267 HB3 CYS 35 HB1 CYS 35 -3.161 -11.560 16.171
268 HA PRO 36 HA PRO 36 0.254 -15.174 13.955
269 HB2 PRO 36 HB2 PRO 36 1.452 -16.699 15.899
270 HB3 PRO 36 HB1 PRO 36 2.306 -15.437 15.004
271 HG2 PRO 36 HG2 PRO 36 1.054 -15.298 17.749
272 HG3 PRO 36 HG1 PRO 36 2.644 -14.711 17.212
273 HD2 PRO 36 HD2 PRO 36 0.506 -13.052 17.484
274 HD3 PRO 36 HD1 PRO 36 1.749 -12.794 16.235
275 H ILE 37 HN ILE 37 -1.094 -15.433 17.316
276 HA ILE 37 HA ILE 37 -2.054 -18.098 16.866
277 HB ILE 37 HB ILE 37 -2.405 -16.207 19.225
278 HG12 ILE 37 HG12 ILE 37 -0.412 -18.490 18.815
279 HG13 ILE 37 HG11 ILE 37 -0.024 -16.776 18.703
280 HG21 ILE 37 HG21 ILE 37 -2.901 -19.198 19.115
281 HG22 ILE 37 HG22 ILE 37 -4.129 -17.947 19.274
282 HG23 ILE 37 HG23 ILE 37 -2.967 -18.203 20.573
283 HD11 ILE 37 HD11 ILE 37 -0.930 -18.244 21.182
284 HD12 ILE 37 HD12 ILE 37 -0.578 -16.515 21.075
285 HD13 ILE 37 HD13 ILE 37 0.705 -17.695 20.810
286 H CYS 38 HN CYS 38 -3.828 -14.997 17.612
287 HA CYS 38 HA CYS 38 -6.269 -16.280 16.571
288 HB2 CYS 38 HB2 CYS 38 -7.551 -14.780 17.939
289 HB3 CYS 38 HB1 CYS 38 -6.365 -15.582 18.937
290 H GLY 39 HN GLY 39 -4.605 -13.022 16.429
291 HA2 GLY 39 HA2 GLY 39 -3.648 -12.434 14.393
292 HA3 GLY 39 HA1 GLY 39 -4.838 -13.398 13.546
293 H GLU 40 HN GLU 40 -5.594 -10.903 15.947
294 HA GLU 40 HA GLU 40 -6.899 -9.218 14.032
295 HB2 GLU 40 HB2 GLU 40 -7.131 -7.603 15.878
296 HB3 GLU 40 HB1 GLU 40 -7.709 -9.198 16.310
297 HG2 GLU 40 HG2 GLU 40 -4.936 -8.282 17.087
298 HG3 GLU 40 HG1 GLU 40 -6.343 -7.845 18.029
299 H ARG 41 HN ARG 41 -6.301 -6.950 13.681
300 HA ARG 41 HA ARG 41 -3.533 -6.791 12.791
301 HB2 ARG 41 HB2 ARG 41 -5.582 -6.149 11.357
302 HB3 ARG 41 HB1 ARG 41 -5.741 -4.717 12.363
303 HG2 ARG 41 HG2 ARG 41 -4.542 -3.972 10.469
304 HG3 ARG 41 HG1 ARG 41 -3.303 -4.186 11.713
305 HD2 ARG 41 HD2 ARG 41 -2.452 -5.122 9.669
306 HD3 ARG 41 HD1 ARG 41 -2.841 -6.487 10.729
307 HE ARG 41 HE ARG 41 -5.096 -5.930 9.165
308 HH11 ARG 41 HH11 ARG 41 -1.848 -7.188 8.640
309 HH12 ARG 41 HH12 ARG 41 -2.302 -8.062 7.215
310 HH21 ARG 41 HH21 ARG 41 -5.659 -7.070 7.314
311 HH22 ARG 41 HH22 ARG 41 -4.462 -7.997 6.469
312 H PHE 42 HN PHE 42 -2.061 -5.218 13.481
313 HA PHE 42 HA PHE 42 -2.845 -3.441 15.724
314 HB2 PHE 42 HB2 PHE 42 -0.188 -4.883 15.321
315 HB3 PHE 42 HB1 PHE 42 -0.507 -3.712 16.602
316 HD1 PHE 42 HD2 PHE 42 -2.161 -4.227 18.393
317 HD2 PHE 42 HD1 PHE 42 -1.049 -7.151 15.479
318 HE1 PHE 42 HE2 PHE 42 -3.181 -5.995 19.769
319 HE2 PHE 42 HE1 PHE 42 -2.076 -8.899 16.855
320 HZ PHE 42 HZ PHE 42 -3.152 -8.330 18.991
321 HA PRO 43 HA PRO 43 -1.413 -0.010 13.221
322 HB2 PRO 43 HB2 PRO 43 -1.083 1.909 15.140
323 HB3 PRO 43 HB1 PRO 43 -2.683 1.287 14.706
324 HG2 PRO 43 HG2 PRO 43 -0.898 0.449 17.006
325 HG3 PRO 43 HG1 PRO 43 -2.622 0.893 17.038
326 HD2 PRO 43 HD2 PRO 43 -1.812 -1.694 16.979
327 HD3 PRO 43 HD1 PRO 43 -3.295 -1.166 16.150
328 H SER 44 HN SER 44 0.587 -1.403 15.708
329 HA SER 44 HA SER 44 3.027 -0.700 14.346
330 HB2 SER 44 HB2 SER 44 4.066 0.373 16.407
331 HB3 SER 44 HB1 SER 44 2.834 1.339 15.616
332 HG SER 44 HG SER 44 2.778 1.064 18.030
333 H LEU 45 HN LEU 45 4.926 -1.699 15.359
334 HA LEU 45 HA LEU 45 4.338 -4.257 16.646
335 HB2 LEU 45 HB2 LEU 45 6.043 -4.138 14.820
336 HB3 LEU 45 HB1 LEU 45 7.025 -3.074 15.812
337 HG LEU 45 HG LEU 45 7.343 -4.899 17.471
338 HD11 LEU 45 HD11 LEU 45 6.624 -7.198 16.999
339 HD12 LEU 45 HD12 LEU 45 5.741 -6.637 15.578
340 HD13 LEU 45 HD13 LEU 45 5.247 -6.113 17.190
341 HD21 LEU 45 HD21 LEU 45 8.991 -4.644 15.661
342 HD22 LEU 45 HD22 LEU 45 8.066 -5.759 14.650
343 HD23 LEU 45 HD23 LEU 45 8.819 -6.330 16.141
344 H LEU 46 HN LEU 46 3.464 -3.255 18.488
345 HA LEU 46 HA LEU 46 5.324 -3.051 20.690
346 HB2 LEU 46 HB2 LEU 46 5.239 -0.680 19.852
347 HB3 LEU 46 HB1 LEU 46 3.488 -0.702 19.986
348 HG LEU 46 HG LEU 46 3.750 -1.023 22.486
349 HD11 LEU 46 HD11 LEU 46 5.993 -1.991 22.525
350 HD12 LEU 46 HD12 LEU 46 5.918 -0.549 23.527
351 HD13 LEU 46 HD13 LEU 46 6.684 -0.475 21.940
352 HD21 LEU 46 HD21 LEU 46 4.998 1.505 21.352
353 HD22 LEU 46 HD22 LEU 46 4.331 1.318 22.977
354 HD23 LEU 46 HD23 LEU 46 3.270 1.202 21.575
355 H THR 47 HN THR 47 2.039 -2.224 19.675
356 HA THR 47 HA THR 47 0.659 -3.198 21.945
357 HB THR 47 HB THR 47 -1.382 -3.032 20.440
358 HG1 THR 47 HG1 THR 47 -1.141 -2.641 18.334
359 HG21 THR 47 HG21 THR 47 0.469 -0.612 20.360
360 HG22 THR 47 HG22 THR 47 -0.607 -1.034 21.693
361 HG23 THR 47 HG23 THR 47 -1.281 -0.581 20.127
362 H LEU 48 HN LEU 48 1.615 -4.739 18.886
363 HA LEU 48 HA LEU 48 0.319 -7.209 19.150
364 HB2 LEU 48 HB2 LEU 48 1.454 -6.510 17.083
365 HB3 LEU 48 HB1 LEU 48 3.006 -6.507 17.885
366 HG LEU 48 HG LEU 48 2.497 -8.427 16.230
367 HD11 LEU 48 HD11 LEU 48 3.756 -10.107 17.465
368 HD12 LEU 48 HD12 LEU 48 3.479 -9.239 18.977
369 HD13 LEU 48 HD13 LEU 48 4.446 -8.499 17.702
370 HD21 LEU 48 HD21 LEU 48 1.309 -10.397 17.116
371 HD22 LEU 48 HD22 LEU 48 0.246 -9.005 16.955
372 HD23 LEU 48 HD23 LEU 48 0.848 -9.474 18.547
373 H THR 49 HN THR 49 3.406 -6.104 20.507
374 HA THR 49 HA THR 49 4.211 -8.564 21.666
375 HB THR 49 HB THR 49 5.049 -5.747 22.469
376 HG1 THR 49 HG1 THR 49 6.481 -5.837 20.830
377 HG21 THR 49 HG21 THR 49 5.814 -7.478 24.062
378 HG22 THR 49 HG22 THR 49 7.173 -6.805 23.160
379 HG23 THR 49 HG23 THR 49 6.535 -8.393 22.730
380 H GLU 50 HN GLU 50 2.530 -5.732 22.968
381 HA GLU 50 HA GLU 50 2.238 -6.547 25.657
382 HB2 GLU 50 HB2 GLU 50 0.257 -4.820 24.114
383 HB3 GLU 50 HB1 GLU 50 0.533 -4.825 25.853
384 HG2 GLU 50 HG2 GLU 50 2.397 -3.791 23.700
385 HG3 GLU 50 HG1 GLU 50 1.516 -2.852 24.890
386 H HIS 51 HN HIS 51 0.225 -7.080 22.797
387 HA HIS 51 HA HIS 51 -1.907 -8.464 24.094
388 HB2 HIS 51 HB2 HIS 51 -2.335 -7.373 22.005
389 HB3 HIS 51 HB1 HIS 51 -0.996 -8.191 21.206
390 HD1 HIS 51 HD1 HIS 51 -4.461 -8.943 22.586
391 HD2 HIS 51 HD2 HIS 51 -1.633 -10.498 19.974
392 HE1 HIS 51 HE1 HIS 51 -5.542 -10.926 21.456
393 H LYS 52 HN LYS 52 1.064 -9.489 22.512
394 HA LYS 52 HA LYS 52 0.681 -12.222 22.211
395 HB2 LYS 52 HB2 LYS 52 2.573 -11.043 21.195
396 HB3 LYS 52 HB1 LYS 52 3.228 -10.650 22.779
397 HG2 LYS 52 HG2 LYS 52 3.596 -13.097 23.188
398 HG3 LYS 52 HG1 LYS 52 3.059 -13.413 21.537
399 HD2 LYS 52 HD2 LYS 52 5.460 -11.717 22.321
400 HD3 LYS 52 HD1 LYS 52 5.536 -13.384 21.751
401 HE2 LYS 52 HE2 LYS 52 4.628 -12.695 19.569
402 HE3 LYS 52 HE1 LYS 52 4.498 -11.024 20.132
403 HZ1 LYS 52 HZ1 LYS 52 7.019 -12.579 19.868
404 HZ2 LYS 52 HZ2 LYS 52 6.902 -10.985 20.424
405 HZ3 LYS 52 HZ3 LYS 52 6.496 -11.352 18.826
406 H VAL 53 HN VAL 53 2.128 -10.478 24.978
407 HA VAL 53 HA VAL 53 2.717 -12.846 26.455
408 HB VAL 53 HB VAL 53 3.407 -11.316 28.257
409 HG11 VAL 53 HG11 VAL 53 4.349 -10.410 25.512
410 HG12 VAL 53 HG12 VAL 53 4.996 -11.768 26.436
411 HG13 VAL 53 HG13 VAL 53 5.200 -10.120 27.033
412 HG21 VAL 53 HG21 VAL 53 1.651 -9.598 28.075
413 HG22 VAL 53 HG22 VAL 53 2.300 -9.079 26.520
414 HG23 VAL 53 HG23 VAL 53 3.249 -8.854 27.991
415 H THR 54 HN THR 54 -0.056 -10.698 26.297
416 HA THR 54 HA THR 54 -1.283 -11.732 28.727
417 HB THR 54 HB THR 54 -3.195 -10.225 28.084
418 HG1 THR 54 HG1 THR 54 -1.708 -8.934 26.136
419 HG21 THR 54 HG21 THR 54 -2.020 -8.073 28.428
420 HG22 THR 54 HG22 THR 54 -0.474 -8.856 28.091
421 HG23 THR 54 HG23 THR 54 -1.404 -9.316 29.520
422 H HIS 55 HN HIS 55 -0.911 -13.154 25.773
423 HA HIS 55 HA HIS 55 -3.474 -14.108 25.134
424 HB2 HIS 55 HB2 HIS 55 -0.795 -14.612 24.183
425 HB3 HIS 55 HB1 HIS 55 -1.541 -16.176 24.463
426 HD1 HIS 55 HD1 HIS 55 -4.054 -16.377 23.241
427 HD2 HIS 55 HD2 HIS 55 -1.417 -13.518 21.789
428 HE1 HIS 55 HE1 HIS 55 -4.906 -15.730 20.956
Start of MODEL 16
1 H1 MET 1 HT1 MET 1 -8.954 23.956 4.459
2 H2 MET 1 HT2 MET 1 -7.333 23.990 4.921
3 H3 MET 1 HT3 MET 1 -8.281 25.378 5.069
4 HA MET 1 HA MET 1 -7.926 24.333 7.208
5 HB2 MET 1 HB2 MET 1 -10.079 25.569 6.615
6 HB3 MET 1 HB1 MET 1 -10.819 24.019 6.254
7 HG2 MET 1 HG2 MET 1 -10.636 23.339 8.573
8 HG3 MET 1 HG1 MET 1 -9.728 24.797 8.972
9 HE1 MET 1 HE1 MET 1 -10.796 27.257 8.953
10 HE2 MET 1 HE2 MET 1 -12.467 27.585 8.503
11 HE3 MET 1 HE3 MET 1 -11.328 27.028 7.281
12 H GLY 2 HN GLY 2 -8.589 22.450 8.618
13 HA2 GLY 2 HA2 GLY 2 -9.091 20.157 8.930
14 HA3 GLY 2 HA1 GLY 2 -8.844 19.874 7.206
15 H SER 3 HN SER 3 -7.361 18.139 7.801
16 HA SER 3 HA SER 3 -4.637 19.193 7.921
17 HB2 SER 3 HB2 SER 3 -5.250 18.636 10.294
18 HB3 SER 3 HB1 SER 3 -5.560 16.970 9.812
19 HG SER 3 HG SER 3 -3.524 16.696 10.209
20 H HIS 4 HN HIS 4 -4.561 18.600 5.733
21 HA HIS 4 HA HIS 4 -4.353 15.771 5.067
22 HB2 HIS 4 HB2 HIS 4 -3.388 18.194 3.475
23 HB3 HIS 4 HB1 HIS 4 -3.436 16.535 2.888
24 HD1 HIS 4 HD1 HIS 4 -5.386 19.582 2.987
25 HD2 HIS 4 HD2 HIS 4 -6.233 15.517 2.751
26 HE1 HIS 4 HE1 HIS 4 -7.744 19.432 2.137
27 HE2 HIS 4 HE2 HIS 4 -8.233 16.962 2.013
28 H LYS 5 HN LYS 5 -3.043 15.399 6.957
29 HA LYS 5 HA LYS 5 -0.165 16.064 6.674
30 HB2 LYS 5 HB2 LYS 5 -1.194 17.171 8.638
31 HB3 LYS 5 HB1 LYS 5 -1.854 15.639 9.190
32 HG2 LYS 5 HG2 LYS 5 0.483 14.803 9.520
33 HG3 LYS 5 HG1 LYS 5 1.083 16.399 9.071
34 HD2 LYS 5 HD2 LYS 5 -0.699 15.775 11.461
35 HD3 LYS 5 HD1 LYS 5 1.031 16.105 11.522
36 HE2 LYS 5 HE2 LYS 5 0.641 18.391 10.709
37 HE3 LYS 5 HE1 LYS 5 -1.095 18.082 10.605
38 HZ1 LYS 5 HZ1 LYS 5 -0.552 19.253 12.619
39 HZ2 LYS 5 HZ2 LYS 5 0.553 18.059 13.074
40 HZ3 LYS 5 HZ3 LYS 5 -1.097 17.701 13.009
41 H CYS 6 HN CYS 6 1.215 14.332 6.666
42 HA CYS 6 HA CYS 6 0.138 11.657 6.569
43 HB2 CYS 6 HB2 CYS 6 2.062 12.423 5.151
44 HB3 CYS 6 HB1 CYS 6 3.033 12.610 6.601
45 H ASN 7 HN ASN 7 -0.679 11.193 8.607
46 HA ASN 7 HA ASN 7 0.138 11.946 11.094
47 HB2 ASN 7 HB2 ASN 7 -1.997 10.788 10.539
48 HB3 ASN 7 HB1 ASN 7 -1.124 9.268 10.366
49 HD21 ASN 7 HD21 ASN 7 -2.317 8.241 11.989
50 HD22 ASN 7 HD22 ASN 7 -2.143 8.644 13.663
51 H VAL 8 HN VAL 8 1.362 9.108 9.331
52 HA VAL 8 HA VAL 8 2.889 7.863 11.358
53 HB VAL 8 HB VAL 8 3.487 7.850 8.351
54 HG11 VAL 8 HG11 VAL 8 4.573 5.665 8.764
55 HG12 VAL 8 HG12 VAL 8 4.252 5.823 10.494
56 HG13 VAL 8 HG13 VAL 8 5.350 6.949 9.694
57 HG21 VAL 8 HG21 VAL 8 1.153 7.196 8.798
58 HG22 VAL 8 HG22 VAL 8 1.698 5.958 9.931
59 HG23 VAL 8 HG23 VAL 8 2.095 5.821 8.215
60 H CYS 9 HN CYS 9 3.780 10.294 8.948
61 HA CYS 9 HA CYS 9 6.522 10.604 9.864
62 HB2 CYS 9 HB2 CYS 9 4.822 12.110 7.858
63 HB3 CYS 9 HB1 CYS 9 6.473 12.569 8.238
64 H SER 10 HN SER 10 3.482 12.112 10.430
65 HA SER 10 HA SER 10 2.600 13.626 11.797
66 HB2 SER 10 HB2 SER 10 5.341 13.813 13.108
67 HB3 SER 10 HB1 SER 10 3.848 14.479 13.770
68 HG SER 10 HG SER 10 3.214 12.045 13.343
69 H ARG 11 HN ARG 11 4.482 14.348 9.320
70 HA ARG 11 HA ARG 11 4.394 17.282 9.760
71 HB2 ARG 11 HB2 ARG 11 6.169 17.528 8.153
72 HB3 ARG 11 HB1 ARG 11 6.648 16.358 9.374
73 HG2 ARG 11 HG2 ARG 11 6.310 14.517 7.845
74 HG3 ARG 11 HG1 ARG 11 5.618 15.597 6.630
75 HD2 ARG 11 HD2 ARG 11 8.483 15.652 7.644
76 HD3 ARG 11 HD1 ARG 11 7.942 15.028 6.082
77 HE ARG 11 HE ARG 11 7.189 17.343 5.564
78 HH11 ARG 11 HH11 ARG 11 9.736 16.902 7.937
79 HH12 ARG 11 HH12 ARG 11 10.381 18.491 7.700
80 HH21 ARG 11 HH21 ARG 11 8.035 19.409 5.281
81 HH22 ARG 11 HH22 ARG 11 9.422 19.912 6.196
82 H THR 12 HN THR 12 4.304 18.479 7.509
83 HA THR 12 HA THR 12 1.516 17.841 6.736
84 HB THR 12 HB THR 12 1.833 19.922 8.053
85 HG1 THR 12 HG1 THR 12 1.122 21.018 5.610
86 HG21 THR 12 HG21 THR 12 3.438 20.943 5.676
87 HG22 THR 12 HG22 THR 12 4.084 20.594 7.279
88 HG23 THR 12 HG23 THR 12 2.922 21.904 7.067
89 H PHE 13 HN PHE 13 0.765 18.422 4.676
90 HA PHE 13 HA PHE 13 2.424 17.938 2.409
91 HB2 PHE 13 HB2 PHE 13 0.394 18.179 1.097
92 HB3 PHE 13 HB1 PHE 13 -0.026 17.302 2.554
93 HD1 PHE 13 HD1 PHE 13 -0.398 19.610 4.513
94 HD2 PHE 13 HD2 PHE 13 -1.621 19.199 0.441
95 HE1 PHE 13 HE1 PHE 13 -2.232 21.200 4.895
96 HE2 PHE 13 HE2 PHE 13 -3.446 20.789 0.833
97 HZ PHE 13 HZ PHE 13 -3.760 21.795 3.057
98 H PHE 14 HN PHE 14 1.784 19.475 0.424
99 HA PHE 14 HA PHE 14 2.103 22.336 1.012
100 HB2 PHE 14 HB2 PHE 14 4.364 21.621 0.420
101 HB3 PHE 14 HB1 PHE 14 3.775 20.702 -0.961
102 HD1 PHE 14 HD1 PHE 14 3.861 24.232 0.358
103 HD2 PHE 14 HD2 PHE 14 3.864 21.711 -3.105
104 HE1 PHE 14 HE1 PHE 14 4.192 26.201 -1.083
105 HE2 PHE 14 HE2 PHE 14 4.209 23.688 -4.533
106 HZ PHE 14 HZ PHE 14 4.369 25.933 -3.525
107 H SER 15 HN SER 15 1.751 19.955 -1.617
108 HA SER 15 HA SER 15 -0.733 21.251 -2.561
109 HB2 SER 15 HB2 SER 15 -0.374 19.734 -4.565
110 HB3 SER 15 HB1 SER 15 0.896 20.935 -4.334
111 HG SER 15 HG SER 15 1.771 18.895 -4.768
112 H GLU 16 HN GLU 16 -2.654 19.966 -2.697
113 HA GLU 16 HA GLU 16 -2.984 18.122 -0.552
114 HB2 GLU 16 HB2 GLU 16 -5.333 17.984 -1.226
115 HB3 GLU 16 HB1 GLU 16 -4.778 19.654 -1.259
116 HG2 GLU 16 HG2 GLU 16 -4.508 19.460 -3.755
117 HG3 GLU 16 HG1 GLU 16 -5.214 17.849 -3.661
118 H ASN 17 HN ASN 17 -2.698 17.696 -4.075
119 HA ASN 17 HA ASN 17 -3.060 14.836 -4.040
120 HB2 ASN 17 HB2 ASN 17 -3.547 16.223 -6.057
121 HB3 ASN 17 HB1 ASN 17 -1.837 16.616 -6.187
122 HD21 ASN 17 HD21 ASN 17 -4.202 14.029 -6.437
123 HD22 ASN 17 HD22 ASN 17 -3.241 12.986 -7.424
124 H GLY 18 HN GLY 18 -0.466 17.027 -3.448
125 HA2 GLY 18 HA2 GLY 18 1.805 15.406 -3.853
126 HA3 GLY 18 HA1 GLY 18 1.700 16.789 -2.782
127 H LEU 19 HN LEU 19 -0.167 15.950 -0.899
128 HA LEU 19 HA LEU 19 1.198 14.190 0.805
129 HB2 LEU 19 HB2 LEU 19 -0.694 15.927 1.273
130 HB3 LEU 19 HB1 LEU 19 -1.805 14.627 0.933
131 HG LEU 19 HG LEU 19 -1.354 15.076 3.393
132 HD11 LEU 19 HD11 LEU 19 -0.710 12.251 2.506
133 HD12 LEU 19 HD12 LEU 19 -2.321 12.939 2.729
134 HD13 LEU 19 HD13 LEU 19 -1.251 12.744 4.116
135 HD21 LEU 19 HD21 LEU 19 0.723 14.254 4.424
136 HD22 LEU 19 HD22 LEU 19 1.039 15.563 3.289
137 HD23 LEU 19 HD23 LEU 19 1.384 13.897 2.824
138 H ARG 20 HN ARG 20 -1.474 13.624 -1.448
139 HA ARG 20 HA ARG 20 -2.096 10.944 -0.883
140 HB2 ARG 20 HB2 ARG 20 -2.242 12.369 -3.583
141 HB3 ARG 20 HB1 ARG 20 -3.075 10.872 -3.177
142 HG2 ARG 20 HG2 ARG 20 -3.567 13.546 -1.835
143 HG3 ARG 20 HG1 ARG 20 -4.545 12.864 -3.128
144 HD2 ARG 20 HD2 ARG 20 -5.097 10.932 -1.684
145 HD3 ARG 20 HD1 ARG 20 -4.147 11.650 -0.375
146 HE ARG 20 HE ARG 20 -6.278 13.311 -1.464
147 HH11 ARG 20 HH11 ARG 20 -5.456 10.983 1.011
148 HH12 ARG 20 HH12 ARG 20 -6.725 11.501 2.072
149 HH21 ARG 20 HH21 ARG 20 -7.922 13.971 -0.050
150 HH22 ARG 20 HH22 ARG 20 -8.102 13.180 1.486
151 H GLU 21 HN GLU 21 0.159 12.260 -3.315
152 HA GLU 21 HA GLU 21 1.071 9.808 -4.358
153 HB2 GLU 21 HB2 GLU 21 1.270 12.030 -5.514
154 HB3 GLU 21 HB1 GLU 21 2.490 12.506 -4.336
155 HG2 GLU 21 HG2 GLU 21 3.925 10.601 -5.122
156 HG3 GLU 21 HG1 GLU 21 2.726 10.256 -6.369
157 H HIS 22 HN HIS 22 2.220 11.910 -1.764
158 HA HIS 22 HA HIS 22 4.602 10.519 -1.124
159 HB2 HIS 22 HB2 HIS 22 4.417 12.776 -0.321
160 HB3 HIS 22 HB1 HIS 22 2.877 12.457 0.475
161 HD1 HIS 22 HD1 HIS 22 6.577 11.610 0.846
162 HD2 HIS 22 HD2 HIS 22 3.055 11.578 3.053
163 HE1 HIS 22 HE1 HIS 22 7.201 10.884 3.187
164 H LEU 23 HN LEU 23 1.224 10.065 -0.128
165 HA LEU 23 HA LEU 23 1.703 8.558 2.208
166 HB2 LEU 23 HB2 LEU 23 -0.512 9.720 1.284
167 HB3 LEU 23 HB1 LEU 23 -0.825 8.123 0.629
168 HG LEU 23 HG LEU 23 -0.528 7.190 2.994
169 HD11 LEU 23 HD11 LEU 23 -0.718 8.756 4.892
170 HD12 LEU 23 HD12 LEU 23 -0.645 10.128 3.779
171 HD13 LEU 23 HD13 LEU 23 0.746 9.056 3.956
172 HD21 LEU 23 HD21 LEU 23 -2.778 7.479 2.053
173 HD22 LEU 23 HD22 LEU 23 -2.812 9.162 2.589
174 HD23 LEU 23 HD23 LEU 23 -2.774 7.855 3.776
175 H GLN 24 HN GLN 24 1.965 7.704 -1.089
176 HA GLN 24 HA GLN 24 1.477 4.916 -0.981
177 HB2 GLN 24 HB2 GLN 24 3.061 6.541 -2.989
178 HB3 GLN 24 HB1 GLN 24 2.430 4.913 -3.231
179 HG2 GLN 24 HG2 GLN 24 0.845 7.470 -2.923
180 HG3 GLN 24 HG1 GLN 24 1.003 6.464 -4.348
181 HE21 GLN 24 HE21 GLN 24 -0.081 4.426 -4.395
182 HE22 GLN 24 HE22 GLN 24 -1.457 4.132 -3.393
183 H THR 25 HN THR 25 4.140 6.813 0.100
184 HA THR 25 HA THR 25 6.199 4.820 -0.070
185 HB THR 25 HB THR 25 7.464 6.259 1.476
186 HG1 THR 25 HG1 THR 25 5.691 8.307 1.685
187 HG21 THR 25 HG21 THR 25 7.449 6.953 -0.892
188 HG22 THR 25 HG22 THR 25 7.515 8.362 0.172
189 HG23 THR 25 HG23 THR 25 5.996 7.911 -0.605
190 H HIS 26 HN HIS 26 3.406 5.099 1.847
191 HA HIS 26 HA HIS 26 4.394 3.186 3.896
192 HB2 HIS 26 HB2 HIS 26 2.081 5.151 4.274
193 HB3 HIS 26 HB1 HIS 26 2.875 4.191 5.516
194 HD1 HIS 26 HD1 HIS 26 5.238 5.075 6.351
195 HD2 HIS 26 HD2 HIS 26 3.258 7.551 3.674
196 HE1 HIS 26 HE1 HIS 26 6.390 7.313 6.464
197 H ARG 27 HN ARG 27 3.549 2.239 1.430
198 HA ARG 27 HA ARG 27 0.610 1.732 1.571
199 HB2 ARG 27 HB2 ARG 27 1.456 3.083 -0.377
200 HB3 ARG 27 HB1 ARG 27 2.446 1.722 -0.871
201 HG2 ARG 27 HG2 ARG 27 0.421 1.917 -2.238
202 HG3 ARG 27 HG1 ARG 27 0.427 0.399 -1.338
203 HD2 ARG 27 HD2 ARG 27 -1.801 1.503 -1.362
204 HD3 ARG 27 HD1 ARG 27 -1.176 1.287 0.274
205 HE ARG 27 HE ARG 27 -1.072 3.870 -1.190
206 HH11 ARG 27 HH11 ARG 27 -1.677 2.104 1.791
207 HH12 ARG 27 HH12 ARG 27 -2.068 3.536 2.691
208 HH21 ARG 27 HH21 ARG 27 -1.587 5.726 0.003
209 HH22 ARG 27 HH22 ARG 27 -2.028 5.575 1.677
210 H GLY 28 HN GLY 28 3.706 0.296 1.740
211 HA2 GLY 28 HA2 GLY 28 4.408 -1.891 1.977
212 HA3 GLY 28 HA1 GLY 28 2.765 -2.453 1.671
213 HA PRO 29 HA PRO 29 5.476 -3.433 -2.164
214 HB2 PRO 29 HB2 PRO 29 3.887 -5.960 -1.712
215 HB3 PRO 29 HB1 PRO 29 5.550 -5.771 -2.297
216 HG2 PRO 29 HG2 PRO 29 5.117 -6.514 0.212
217 HG3 PRO 29 HG1 PRO 29 6.386 -5.320 -0.143
218 HD2 PRO 29 HD2 PRO 29 3.615 -4.875 0.977
219 HD3 PRO 29 HD1 PRO 29 5.155 -4.108 1.432
220 H ALA 30 HN ALA 30 4.639 -2.789 -4.018
221 HA ALA 30 HA ALA 30 1.801 -3.059 -4.723
222 HB1 ALA 30 HB1 ALA 30 3.094 -0.315 -4.401
223 HB2 ALA 30 HB2 ALA 30 1.862 -1.007 -3.347
224 HB3 ALA 30 HB3 ALA 30 1.469 -0.624 -5.023
225 H LYS 31 HN LYS 31 1.354 -2.643 -6.898
226 HA LYS 31 HA LYS 31 1.562 -2.496 -9.108
227 HB2 LYS 31 HB2 LYS 31 2.809 -0.386 -8.721
228 HB3 LYS 31 HB1 LYS 31 4.316 -1.290 -8.616
229 HG2 LYS 31 HG2 LYS 31 4.064 -1.983 -10.984
230 HG3 LYS 31 HG1 LYS 31 2.547 -1.089 -11.081
231 HD2 LYS 31 HD2 LYS 31 4.374 0.206 -12.087
232 HD3 LYS 31 HD1 LYS 31 3.747 1.025 -10.655
233 HE2 LYS 31 HE2 LYS 31 5.666 0.150 -9.334
234 HE3 LYS 31 HE1 LYS 31 6.292 -0.639 -10.782
235 HZ1 LYS 31 HZ1 LYS 31 7.373 1.477 -10.314
236 HZ2 LYS 31 HZ2 LYS 31 5.893 2.282 -10.471
237 HZ3 LYS 31 HZ3 LYS 31 6.576 1.497 -11.802
238 H HIS 32 HN HIS 32 4.759 -3.552 -7.890
239 HA HIS 32 HA HIS 32 5.152 -5.477 -9.970
240 HB2 HIS 32 HB2 HIS 32 7.233 -6.045 -8.846
241 HB3 HIS 32 HB1 HIS 32 7.052 -4.299 -8.863
242 HD1 HIS 32 HD1 HIS 32 7.266 -7.227 -6.565
243 HD2 HIS 32 HD2 HIS 32 6.729 -3.116 -6.295
244 HE1 HIS 32 HE1 HIS 32 7.604 -6.658 -4.147
245 HE2 HIS 32 HE2 HIS 32 7.504 -4.149 -4.064
246 H TYR 33 HN TYR 33 6.181 -7.722 -8.622
247 HA TYR 33 HA TYR 33 3.847 -8.976 -7.374
248 HB2 TYR 33 HB2 TYR 33 4.382 -10.868 -9.330
249 HB3 TYR 33 HB1 TYR 33 3.119 -9.649 -9.459
250 HD1 TYR 33 HD1 TYR 33 6.791 -10.054 -10.233
251 HD2 TYR 33 HD2 TYR 33 3.079 -8.290 -11.416
252 HE1 TYR 33 HE1 TYR 33 7.862 -9.113 -12.222
253 HE2 TYR 33 HE2 TYR 33 4.175 -7.372 -13.417
254 HH TYR 33 HH TYR 33 6.405 -6.765 -14.168
255 H MET 34 HN MET 34 5.232 -9.113 -5.581
256 HA MET 34 HA MET 34 7.314 -11.228 -5.711
257 HB2 MET 34 HB2 MET 34 8.141 -9.087 -4.746
258 HB3 MET 34 HB1 MET 34 6.820 -9.080 -3.582
259 HG2 MET 34 HG2 MET 34 7.723 -11.155 -2.561
260 HG3 MET 34 HG1 MET 34 9.065 -11.126 -3.704
261 HE1 MET 34 HE1 MET 34 9.811 -7.983 -3.793
262 HE2 MET 34 HE2 MET 34 11.000 -9.279 -3.657
263 HE3 MET 34 HE3 MET 34 11.036 -7.927 -2.522
264 H CYS 35 HN CYS 35 6.814 -13.129 -4.719
265 HA CYS 35 HA CYS 35 4.118 -13.590 -3.851
266 HB2 CYS 35 HB2 CYS 35 5.600 -15.185 -5.162
267 HB3 CYS 35 HB1 CYS 35 6.454 -15.505 -3.668
268 HA PRO 36 HA PRO 36 4.653 -12.159 0.411
269 HB2 PRO 36 HB2 PRO 36 2.553 -14.291 0.874
270 HB3 PRO 36 HB1 PRO 36 2.633 -12.634 1.503
271 HG2 PRO 36 HG2 PRO 36 1.059 -13.162 -0.564
272 HG3 PRO 36 HG1 PRO 36 2.051 -11.685 -0.568
273 HD2 PRO 36 HD2 PRO 36 2.464 -14.259 -2.075
274 HD3 PRO 36 HD1 PRO 36 2.790 -12.588 -2.586
275 H ILE 37 HN ILE 37 4.507 -15.769 0.065
276 HA ILE 37 HA ILE 37 6.048 -16.121 2.504
277 HB ILE 37 HB ILE 37 4.970 -18.149 0.506
278 HG12 ILE 37 HG12 ILE 37 3.788 -17.297 3.194
279 HG13 ILE 37 HG11 ILE 37 3.164 -16.810 1.622
280 HG21 ILE 37 HG21 ILE 37 5.286 -19.824 2.315
281 HG22 ILE 37 HG22 ILE 37 6.058 -18.583 3.306
282 HG23 ILE 37 HG23 ILE 37 6.807 -19.102 1.798
283 HD11 ILE 37 HD11 ILE 37 1.848 -18.597 2.591
284 HD12 ILE 37 HD12 ILE 37 3.268 -19.631 2.683
285 HD13 ILE 37 HD13 ILE 37 2.633 -19.139 1.109
286 H CYS 38 HN CYS 38 6.461 -17.054 -0.959
287 HA CYS 38 HA CYS 38 9.211 -17.898 -0.344
288 HB2 CYS 38 HB2 CYS 38 9.027 -19.467 -2.064
289 HB3 CYS 38 HB1 CYS 38 7.428 -19.463 -1.343
290 H GLY 39 HN GLY 39 7.565 -15.487 -2.241
291 HA2 GLY 39 HA2 GLY 39 8.336 -13.612 -3.210
292 HA3 GLY 39 HA1 GLY 39 9.958 -14.045 -2.696
293 H GLU 40 HN GLU 40 8.418 -16.401 -4.680
294 HA GLU 40 HA GLU 40 10.090 -16.042 -6.913
295 HB2 GLU 40 HB2 GLU 40 7.455 -17.563 -6.691
296 HB3 GLU 40 HB1 GLU 40 8.571 -17.693 -8.045
297 HG2 GLU 40 HG2 GLU 40 10.323 -18.549 -6.517
298 HG3 GLU 40 HG1 GLU 40 9.198 -18.437 -5.172
299 H ARG 41 HN ARG 41 9.957 -14.749 -8.631
300 HA ARG 41 HA ARG 41 7.778 -12.848 -8.964
301 HB2 ARG 41 HB2 ARG 41 10.112 -12.068 -9.010
302 HB3 ARG 41 HB1 ARG 41 10.489 -13.148 -10.336
303 HG2 ARG 41 HG2 ARG 41 8.381 -11.028 -10.738
304 HG3 ARG 41 HG1 ARG 41 10.072 -10.540 -10.726
305 HD2 ARG 41 HD2 ARG 41 10.552 -12.053 -12.601
306 HD3 ARG 41 HD1 ARG 41 8.883 -12.635 -12.593
307 HE ARG 41 HE ARG 41 9.098 -9.782 -12.916
308 HH11 ARG 41 HH11 ARG 41 9.210 -12.798 -14.723
309 HH12 ARG 41 HH12 ARG 41 8.682 -12.059 -16.199
310 HH21 ARG 41 HH21 ARG 41 8.382 -8.855 -14.849
311 HH22 ARG 41 HH22 ARG 41 8.230 -9.826 -16.277
312 H PHE 42 HN PHE 42 6.316 -12.888 -10.560
313 HA PHE 42 HA PHE 42 6.509 -14.865 -12.768
314 HB2 PHE 42 HB2 PHE 42 4.131 -14.091 -11.024
315 HB3 PHE 42 HB1 PHE 42 3.891 -14.755 -12.638
316 HD1 PHE 42 HD1 PHE 42 5.627 -15.520 -9.389
317 HD2 PHE 42 HD2 PHE 42 3.914 -17.102 -12.977
318 HE1 PHE 42 HE1 PHE 42 5.973 -17.811 -8.555
319 HE2 PHE 42 HE2 PHE 42 4.250 -19.385 -12.121
320 HZ PHE 42 HZ PHE 42 5.283 -19.741 -9.918
321 HA PRO 43 HA PRO 43 6.224 -11.655 -15.801
322 HB2 PRO 43 HB2 PRO 43 4.098 -12.377 -17.484
323 HB3 PRO 43 HB1 PRO 43 5.717 -13.088 -17.542
324 HG2 PRO 43 HG2 PRO 43 3.255 -14.108 -16.120
325 HG3 PRO 43 HG1 PRO 43 4.406 -15.003 -17.141
326 HD2 PRO 43 HD2 PRO 43 4.594 -15.171 -14.490
327 HD3 PRO 43 HD1 PRO 43 6.072 -15.012 -15.459
328 H SER 44 HN SER 44 3.237 -12.312 -14.069
329 HA SER 44 HA SER 44 2.502 -9.471 -14.124
330 HB2 SER 44 HB2 SER 44 0.526 -11.645 -14.958
331 HB3 SER 44 HB1 SER 44 0.168 -9.927 -14.793
332 HG SER 44 HG SER 44 1.982 -9.729 -16.416
333 H LEU 45 HN LEU 45 0.798 -8.992 -12.553
334 HA LEU 45 HA LEU 45 1.015 -10.568 -10.093
335 HB2 LEU 45 HB2 LEU 45 1.377 -8.070 -10.092
336 HB3 LEU 45 HB1 LEU 45 -0.283 -7.844 -10.613
337 HG LEU 45 HG LEU 45 -1.079 -8.828 -8.448
338 HD11 LEU 45 HD11 LEU 45 0.832 -10.274 -7.929
339 HD12 LEU 45 HD12 LEU 45 0.481 -9.188 -6.590
340 HD13 LEU 45 HD13 LEU 45 1.849 -8.857 -7.654
341 HD21 LEU 45 HD21 LEU 45 0.810 -6.474 -8.076
342 HD22 LEU 45 HD22 LEU 45 -0.551 -6.900 -7.035
343 HD23 LEU 45 HD23 LEU 45 -0.843 -6.376 -8.691
344 H LEU 46 HN LEU 46 -0.210 -12.083 -11.747
345 HA LEU 46 HA LEU 46 -3.014 -12.270 -10.971
346 HB2 LEU 46 HB2 LEU 46 -3.028 -10.935 -13.107
347 HB3 LEU 46 HB1 LEU 46 -2.131 -12.216 -13.897
348 HG LEU 46 HG LEU 46 -4.105 -13.767 -13.433
349 HD11 LEU 46 HD11 LEU 46 -5.177 -12.497 -11.616
350 HD12 LEU 46 HD12 LEU 46 -6.295 -12.764 -12.950
351 HD13 LEU 46 HD13 LEU 46 -5.545 -11.184 -12.737
352 HD21 LEU 46 HD21 LEU 46 -3.731 -12.806 -15.663
353 HD22 LEU 46 HD22 LEU 46 -4.655 -11.372 -15.213
354 HD23 LEU 46 HD23 LEU 46 -5.456 -12.940 -15.312
355 H THR 47 HN THR 47 -0.614 -13.545 -13.268
356 HA THR 47 HA THR 47 -0.919 -16.301 -12.807
357 HB THR 47 HB THR 47 1.458 -16.465 -13.678
358 HG1 THR 47 HG1 THR 47 2.543 -14.570 -14.164
359 HG21 THR 47 HG21 THR 47 -0.418 -16.339 -15.292
360 HG22 THR 47 HG22 THR 47 1.012 -15.510 -15.910
361 HG23 THR 47 HG23 THR 47 -0.334 -14.574 -15.255
362 H LEU 48 HN LEU 48 0.964 -13.847 -11.112
363 HA LEU 48 HA LEU 48 2.301 -15.413 -9.205
364 HB2 LEU 48 HB2 LEU 48 2.698 -12.974 -9.749
365 HB3 LEU 48 HB1 LEU 48 1.212 -12.569 -8.922
366 HG LEU 48 HG LEU 48 3.387 -12.087 -7.668
367 HD11 LEU 48 HD11 LEU 48 2.586 -12.740 -5.454
368 HD12 LEU 48 HD12 LEU 48 1.421 -13.847 -6.181
369 HD13 LEU 48 HD13 LEU 48 1.269 -12.111 -6.444
370 HD21 LEU 48 HD21 LEU 48 3.486 -15.095 -7.312
371 HD22 LEU 48 HD22 LEU 48 4.532 -13.913 -6.524
372 HD23 LEU 48 HD23 LEU 48 4.610 -14.125 -8.270
373 H THR 49 HN THR 49 -0.972 -14.023 -9.228
374 HA THR 49 HA THR 49 -1.717 -14.631 -6.564
375 HB THR 49 HB THR 49 -3.579 -14.264 -8.954
376 HG1 THR 49 HG1 THR 49 -3.319 -12.118 -8.727
377 HG21 THR 49 HG21 THR 49 -4.705 -15.007 -6.875
378 HG22 THR 49 HG22 THR 49 -5.164 -13.359 -7.301
379 HG23 THR 49 HG23 THR 49 -3.998 -13.642 -6.008
380 H GLU 50 HN GLU 50 -2.352 -16.247 -9.650
381 HA GLU 50 HA GLU 50 -3.801 -18.485 -8.883
382 HB2 GLU 50 HB2 GLU 50 -1.671 -18.376 -11.053
383 HB3 GLU 50 HB1 GLU 50 -2.960 -19.569 -10.937
384 HG2 GLU 50 HG2 GLU 50 -3.302 -16.608 -11.473
385 HG3 GLU 50 HG1 GLU 50 -3.427 -17.901 -12.653
386 H HIS 51 HN HIS 51 -0.256 -18.067 -9.053
387 HA HIS 51 HA HIS 51 0.441 -20.664 -8.130
388 HB2 HIS 51 HB2 HIS 51 2.198 -19.595 -9.270
389 HB3 HIS 51 HB1 HIS 51 1.887 -18.040 -8.506
390 HD1 HIS 51 HD1 HIS 51 3.298 -21.456 -7.518
391 HD2 HIS 51 HD2 HIS 51 3.592 -17.437 -6.536
392 HE1 HIS 51 HE1 HIS 51 5.032 -21.295 -5.690
393 H LYS 52 HN LYS 52 -0.235 -17.628 -6.513
394 HA LYS 52 HA LYS 52 1.106 -18.106 -4.071
395 HB2 LYS 52 HB2 LYS 52 0.420 -15.881 -5.111
396 HB3 LYS 52 HB1 LYS 52 -1.215 -16.186 -4.562
397 HG2 LYS 52 HG2 LYS 52 1.107 -16.090 -2.623
398 HG3 LYS 52 HG1 LYS 52 0.334 -14.609 -3.180
399 HD2 LYS 52 HD2 LYS 52 -0.997 -16.875 -1.650
400 HD3 LYS 52 HD1 LYS 52 -0.550 -15.293 -1.002
401 HE2 LYS 52 HE2 LYS 52 -2.134 -14.258 -2.687
402 HE3 LYS 52 HE1 LYS 52 -2.679 -15.885 -3.094
403 HZ1 LYS 52 HZ1 LYS 52 -4.128 -14.848 -1.485
404 HZ2 LYS 52 HZ2 LYS 52 -2.840 -14.620 -0.417
405 HZ3 LYS 52 HZ3 LYS 52 -3.354 -16.182 -0.797
406 H VAL 53 HN VAL 53 -2.329 -18.512 -5.020
407 HA VAL 53 HA VAL 53 -3.216 -19.292 -2.408
408 HB VAL 53 HB VAL 53 -5.350 -19.872 -3.557
409 HG11 VAL 53 HG11 VAL 53 -4.234 -17.152 -4.347
410 HG12 VAL 53 HG12 VAL 53 -5.003 -17.555 -2.814
411 HG13 VAL 53 HG13 VAL 53 -5.950 -17.576 -4.300
412 HG21 VAL 53 HG21 VAL 53 -3.925 -19.067 -6.127
413 HG22 VAL 53 HG22 VAL 53 -5.645 -19.434 -5.979
414 HG23 VAL 53 HG23 VAL 53 -4.449 -20.699 -5.709
415 H THR 54 HN THR 54 -2.093 -20.984 -5.259
416 HA THR 54 HA THR 54 -2.797 -23.629 -4.264
417 HB THR 54 HB THR 54 -1.792 -24.471 -6.394
418 HG1 THR 54 HG1 THR 54 -1.265 -21.712 -6.877
419 HG21 THR 54 HG21 THR 54 -3.705 -22.145 -6.820
420 HG22 THR 54 HG22 THR 54 -4.183 -23.785 -6.376
421 HG23 THR 54 HG23 THR 54 -3.425 -23.485 -7.939
422 H HIS 55 HN HIS 55 -0.581 -21.842 -2.961
423 HA HIS 55 HA HIS 55 1.868 -23.161 -2.990
424 HB2 HIS 55 HB2 HIS 55 0.491 -21.277 -1.177
425 HB3 HIS 55 HB1 HIS 55 1.470 -22.404 -0.259
426 HD1 HIS 55 HD1 HIS 55 3.854 -21.723 0.019
427 HD2 HIS 55 HD2 HIS 55 2.091 -19.982 -3.312
428 HE1 HIS 55 HE1 HIS 55 5.544 -20.085 -0.911
Start of MODEL 17
1 H1 MET 1 HT1 MET 1 -7.710 25.626 1.924
2 H2 MET 1 HT2 MET 1 -6.142 26.249 1.873
3 H3 MET 1 HT3 MET 1 -6.777 25.680 3.333
4 HA MET 1 HA MET 1 -6.282 24.029 0.935
5 HB2 MET 1 HB2 MET 1 -4.419 23.003 2.321
6 HB3 MET 1 HB1 MET 1 -4.130 24.661 1.831
7 HG2 MET 1 HG2 MET 1 -5.166 23.924 4.573
8 HG3 MET 1 HG1 MET 1 -3.452 24.091 4.194
9 HE1 MET 1 HE1 MET 1 -3.393 26.593 2.179
10 HE2 MET 1 HE2 MET 1 -2.289 26.421 3.543
11 HE3 MET 1 HE3 MET 1 -3.182 27.925 3.315
12 H GLY 2 HN GLY 2 -6.577 21.764 1.278
13 HA2 GLY 2 HA2 GLY 2 -8.740 21.023 3.058
14 HA3 GLY 2 HA1 GLY 2 -7.924 19.991 1.895
15 H SER 3 HN SER 3 -8.010 18.345 3.609
16 HA SER 3 HA SER 3 -6.272 18.755 5.908
17 HB2 SER 3 HB2 SER 3 -7.154 16.545 6.675
18 HB3 SER 3 HB1 SER 3 -8.419 17.735 6.424
19 HG SER 3 HG SER 3 -8.208 15.330 5.368
20 H HIS 4 HN HIS 4 -4.363 18.764 4.994
21 HA HIS 4 HA HIS 4 -3.257 16.218 4.007
22 HB2 HIS 4 HB2 HIS 4 -1.417 17.531 3.048
23 HB3 HIS 4 HB1 HIS 4 -2.966 17.968 2.379
24 HD1 HIS 4 HD1 HIS 4 0.040 19.419 3.709
25 HD2 HIS 4 HD2 HIS 4 -3.944 20.562 3.571
26 HE1 HIS 4 HE1 HIS 4 0.045 21.890 4.081
27 HE2 HIS 4 HE2 HIS 4 -2.349 22.581 3.793
28 H LYS 5 HN LYS 5 -2.817 15.221 5.868
29 HA LYS 5 HA LYS 5 -0.269 16.003 7.088
30 HB2 LYS 5 HB2 LYS 5 -1.948 16.593 8.811
31 HB3 LYS 5 HB1 LYS 5 -2.689 15.003 8.673
32 HG2 LYS 5 HG2 LYS 5 -0.472 14.009 9.460
33 HG3 LYS 5 HG1 LYS 5 0.060 15.657 9.801
34 HD2 LYS 5 HD2 LYS 5 -2.323 14.236 11.058
35 HD3 LYS 5 HD1 LYS 5 -0.767 14.536 11.838
36 HE2 LYS 5 HE2 LYS 5 -1.183 16.969 11.714
37 HE3 LYS 5 HE1 LYS 5 -2.733 16.672 10.924
38 HZ1 LYS 5 HZ1 LYS 5 -3.472 15.499 12.900
39 HZ2 LYS 5 HZ2 LYS 5 -3.023 17.083 13.261
40 HZ3 LYS 5 HZ3 LYS 5 -1.999 15.800 13.663
41 H CYS 6 HN CYS 6 1.130 14.312 6.800
42 HA CYS 6 HA CYS 6 0.178 11.581 6.485
43 HB2 CYS 6 HB2 CYS 6 2.091 12.345 5.148
44 HB3 CYS 6 HB1 CYS 6 2.974 12.768 6.609
45 H ASN 7 HN ASN 7 -0.577 10.753 8.367
46 HA ASN 7 HA ASN 7 -0.035 11.411 10.984
47 HB2 ASN 7 HB2 ASN 7 -1.918 9.973 10.254
48 HB3 ASN 7 HB1 ASN 7 -0.804 8.671 9.879
49 HD21 ASN 7 HD21 ASN 7 -2.403 10.433 12.440
50 HD22 ASN 7 HD22 ASN 7 -2.045 9.310 13.704
51 H VAL 8 HN VAL 8 1.607 8.973 9.006
52 HA VAL 8 HA VAL 8 3.066 7.650 11.019
53 HB VAL 8 HB VAL 8 3.896 7.884 8.085
54 HG11 VAL 8 HG11 VAL 8 4.432 5.691 10.122
55 HG12 VAL 8 HG12 VAL 8 5.600 6.852 9.496
56 HG13 VAL 8 HG13 VAL 8 4.900 5.646 8.418
57 HG21 VAL 8 HG21 VAL 8 1.528 7.241 8.211
58 HG22 VAL 8 HG22 VAL 8 1.912 5.917 9.313
59 HG23 VAL 8 HG23 VAL 8 2.508 5.887 7.649
60 H CYS 9 HN CYS 9 3.984 10.318 8.884
61 HA CYS 9 HA CYS 9 6.695 10.576 9.927
62 HB2 CYS 9 HB2 CYS 9 5.090 12.238 7.963
63 HB3 CYS 9 HB1 CYS 9 6.729 12.631 8.442
64 H SER 10 HN SER 10 3.580 12.018 10.406
65 HA SER 10 HA SER 10 2.649 13.503 11.813
66 HB2 SER 10 HB2 SER 10 5.405 13.854 13.079
67 HB3 SER 10 HB1 SER 10 3.892 14.495 13.726
68 HG SER 10 HG SER 10 4.702 11.804 13.469
69 H ARG 11 HN ARG 11 4.451 14.074 9.310
70 HA ARG 11 HA ARG 11 4.334 17.038 9.395
71 HB2 ARG 11 HB2 ARG 11 6.225 15.223 7.824
72 HB3 ARG 11 HB1 ARG 11 6.173 16.978 7.693
73 HG2 ARG 11 HG2 ARG 11 6.911 15.419 10.198
74 HG3 ARG 11 HG1 ARG 11 8.046 16.219 9.106
75 HD2 ARG 11 HD2 ARG 11 7.045 18.398 9.662
76 HD3 ARG 11 HD1 ARG 11 5.886 17.604 10.733
77 HE ARG 11 HE ARG 11 8.459 16.855 11.555
78 HH11 ARG 11 HH11 ARG 11 6.454 19.757 11.531
79 HH12 ARG 11 HH12 ARG 11 7.303 20.490 12.857
80 HH21 ARG 11 HH21 ARG 11 9.541 17.839 13.310
81 HH22 ARG 11 HH22 ARG 11 9.034 19.406 13.861
82 H THR 12 HN THR 12 4.709 17.293 6.512
83 HA THR 12 HA THR 12 2.693 15.807 5.117
84 HB THR 12 HB THR 12 1.238 17.342 6.495
85 HG1 THR 12 HG1 THR 12 0.163 16.831 4.730
86 HG21 THR 12 HG21 THR 12 2.707 19.341 6.564
87 HG22 THR 12 HG22 THR 12 1.104 19.735 5.945
88 HG23 THR 12 HG23 THR 12 2.465 19.582 4.831
89 H PHE 13 HN PHE 13 2.191 16.876 2.927
90 HA PHE 13 HA PHE 13 4.464 18.360 1.773
91 HB2 PHE 13 HB2 PHE 13 3.410 16.300 0.571
92 HB3 PHE 13 HB1 PHE 13 1.980 17.285 0.325
93 HD1 PHE 13 HD2 PHE 13 5.624 17.042 -0.489
94 HD2 PHE 13 HD1 PHE 13 1.888 18.853 -1.501
95 HE1 PHE 13 HE2 PHE 13 6.596 17.889 -2.582
96 HE2 PHE 13 HE1 PHE 13 2.867 19.707 -3.587
97 HZ PHE 13 HZ PHE 13 5.222 19.222 -4.137
98 H PHE 14 HN PHE 14 4.005 20.509 0.852
99 HA PHE 14 HA PHE 14 1.938 21.933 2.328
100 HB2 PHE 14 HB2 PHE 14 4.027 22.944 0.355
101 HB3 PHE 14 HB1 PHE 14 2.983 23.972 1.332
102 HD1 PHE 14 HD1 PHE 14 5.835 21.597 1.446
103 HD2 PHE 14 HD2 PHE 14 3.418 24.306 3.707
104 HE1 PHE 14 HE1 PHE 14 7.455 21.501 3.295
105 HE2 PHE 14 HE2 PHE 14 5.057 24.223 5.543
106 HZ PHE 14 HZ PHE 14 7.069 22.823 5.345
107 H SER 15 HN SER 15 1.405 20.070 -0.114
108 HA SER 15 HA SER 15 -0.987 21.523 -0.896
109 HB2 SER 15 HB2 SER 15 0.847 20.204 -2.956
110 HB3 SER 15 HB1 SER 15 -0.740 20.895 -3.284
111 HG SER 15 HG SER 15 0.406 22.865 -2.218
112 H GLU 16 HN GLU 16 -2.695 20.059 -1.473
113 HA GLU 16 HA GLU 16 -2.733 17.858 0.321
114 HB2 GLU 16 HB2 GLU 16 -4.836 18.800 -1.673
115 HB3 GLU 16 HB1 GLU 16 -5.112 17.547 -0.471
116 HG2 GLU 16 HG2 GLU 16 -6.072 19.579 0.345
117 HG3 GLU 16 HG1 GLU 16 -4.667 19.202 1.334
118 H ASN 17 HN ASN 17 -2.832 17.996 -3.257
119 HA ASN 17 HA ASN 17 -3.335 15.186 -3.601
120 HB2 ASN 17 HB2 ASN 17 -4.024 16.904 -5.272
121 HB3 ASN 17 HB1 ASN 17 -2.335 17.259 -5.606
122 HD21 ASN 17 HD21 ASN 17 -1.114 15.749 -6.832
123 HD22 ASN 17 HD22 ASN 17 -1.867 14.513 -7.776
124 H GLY 18 HN GLY 18 -0.521 17.201 -3.320
125 HA2 GLY 18 HA2 GLY 18 1.471 15.342 -4.223
126 HA3 GLY 18 HA1 GLY 18 1.751 16.802 -3.287
127 H LEU 19 HN LEU 19 0.134 16.193 -1.029
128 HA LEU 19 HA LEU 19 1.709 14.484 0.559
129 HB2 LEU 19 HB2 LEU 19 0.273 16.375 1.327
130 HB3 LEU 19 HB1 LEU 19 -1.146 15.428 0.999
131 HG LEU 19 HG LEU 19 -0.275 15.664 3.475
132 HD11 LEU 19 HD11 LEU 19 -1.116 13.438 4.115
133 HD12 LEU 19 HD12 LEU 19 -1.098 12.949 2.420
134 HD13 LEU 19 HD13 LEU 19 -2.162 14.254 2.952
135 HD21 LEU 19 HD21 LEU 19 1.535 13.394 2.582
136 HD22 LEU 19 HD22 LEU 19 1.310 13.985 4.230
137 HD23 LEU 19 HD23 LEU 19 2.068 15.021 3.025
138 H ARG 20 HN ARG 20 -1.410 13.987 -1.033
139 HA ARG 20 HA ARG 20 -1.890 11.321 -0.360
140 HB2 ARG 20 HB2 ARG 20 -2.553 12.685 -2.998
141 HB3 ARG 20 HB1 ARG 20 -3.281 11.194 -2.406
142 HG2 ARG 20 HG2 ARG 20 -3.531 13.921 -1.099
143 HG3 ARG 20 HG1 ARG 20 -4.756 13.130 -2.084
144 HD2 ARG 20 HD2 ARG 20 -3.691 12.118 0.578
145 HD3 ARG 20 HD1 ARG 20 -5.240 12.922 0.325
146 HE ARG 20 HE ARG 20 -5.336 10.771 -1.351
147 HH11 ARG 20 HH11 ARG 20 -4.775 11.102 2.108
148 HH12 ARG 20 HH12 ARG 20 -5.475 9.563 2.480
149 HH21 ARG 20 HH21 ARG 20 -6.251 8.765 -0.835
150 HH22 ARG 20 HH22 ARG 20 -6.322 8.238 0.817
151 H GLU 21 HN GLU 21 0.172 12.640 -2.936
152 HA GLU 21 HA GLU 21 0.913 10.162 -4.099
153 HB2 GLU 21 HB2 GLU 21 1.310 12.881 -4.716
154 HB3 GLU 21 HB1 GLU 21 2.929 12.300 -4.394
155 HG2 GLU 21 HG2 GLU 21 2.584 12.102 -6.728
156 HG3 GLU 21 HG1 GLU 21 2.517 10.462 -6.073
157 H HIS 22 HN HIS 22 2.288 12.176 -1.571
158 HA HIS 22 HA HIS 22 4.696 10.802 -1.072
159 HB2 HIS 22 HB2 HIS 22 4.474 13.030 -0.204
160 HB3 HIS 22 HB1 HIS 22 2.957 12.658 0.599
161 HD1 HIS 22 HD1 HIS 22 6.687 12.184 1.012
162 HD2 HIS 22 HD2 HIS 22 3.156 11.622 3.116
163 HE1 HIS 22 HE1 HIS 22 7.353 11.522 3.367
164 H LEU 23 HN LEU 23 1.416 10.382 0.118
165 HA LEU 23 HA LEU 23 1.763 8.673 2.263
166 HB2 LEU 23 HB2 LEU 23 -0.251 9.909 1.795
167 HB3 LEU 23 HB1 LEU 23 -0.499 9.061 0.286
168 HG LEU 23 HG LEU 23 -0.587 7.474 2.858
169 HD11 LEU 23 HD11 LEU 23 -2.899 9.152 1.823
170 HD12 LEU 23 HD12 LEU 23 -2.007 9.429 3.322
171 HD13 LEU 23 HD13 LEU 23 -2.982 7.971 3.136
172 HD21 LEU 23 HD21 LEU 23 -0.744 6.260 0.725
173 HD22 LEU 23 HD22 LEU 23 -2.120 7.253 0.242
174 HD23 LEU 23 HD23 LEU 23 -2.260 6.149 1.616
175 H GLN 24 HN GLN 24 1.884 7.995 -1.157
176 HA GLN 24 HA GLN 24 1.336 5.237 -1.165
177 HB2 GLN 24 HB2 GLN 24 2.923 6.910 -3.127
178 HB3 GLN 24 HB1 GLN 24 2.330 5.282 -3.437
179 HG2 GLN 24 HG2 GLN 24 0.551 7.654 -2.813
180 HG3 GLN 24 HG1 GLN 24 0.951 7.105 -4.422
181 HE21 GLN 24 HE21 GLN 24 -1.188 6.742 -4.970
182 HE22 GLN 24 HE22 GLN 24 -2.115 5.429 -4.337
183 H THR 25 HN THR 25 4.205 6.931 -0.176
184 HA THR 25 HA THR 25 6.133 4.858 -0.667
185 HB THR 25 HB THR 25 7.638 6.172 0.781
186 HG1 THR 25 HG1 THR 25 6.036 8.300 1.265
187 HG21 THR 25 HG21 THR 25 7.372 6.949 -1.549
188 HG22 THR 25 HG22 THR 25 7.646 8.311 -0.458
189 HG23 THR 25 HG23 THR 25 6.019 7.970 -1.048
190 H HIS 26 HN HIS 26 3.784 5.486 1.793
191 HA HIS 26 HA HIS 26 4.993 3.673 3.769
192 HB2 HIS 26 HB2 HIS 26 2.487 5.383 3.966
193 HB3 HIS 26 HB1 HIS 26 3.188 4.444 5.285
194 HD1 HIS 26 HD1 HIS 26 5.606 5.287 6.146
195 HD2 HIS 26 HD2 HIS 26 3.567 7.851 3.596
196 HE1 HIS 26 HE1 HIS 26 6.735 7.530 6.337
197 H ARG 27 HN ARG 27 2.930 3.510 1.179
198 HA ARG 27 HA ARG 27 1.474 1.128 2.017
199 HB2 ARG 27 HB2 ARG 27 1.850 2.272 -0.788
200 HB3 ARG 27 HB1 ARG 27 0.701 1.016 -0.324
201 HG2 ARG 27 HG2 ARG 27 0.633 3.962 0.416
202 HG3 ARG 27 HG1 ARG 27 -0.531 3.058 -0.561
203 HD2 ARG 27 HD2 ARG 27 -0.065 2.852 2.435
204 HD3 ARG 27 HD1 ARG 27 -1.516 3.425 1.607
205 HE ARG 27 HE ARG 27 -0.982 0.748 0.850
206 HH11 ARG 27 HH11 ARG 27 -2.263 2.598 3.549
207 HH12 ARG 27 HH12 ARG 27 -3.075 1.237 4.249
208 HH21 ARG 27 HH21 ARG 27 -2.024 -1.043 1.818
209 HH22 ARG 27 HH22 ARG 27 -2.939 -0.819 3.278
210 H GLY 28 HN GLY 28 4.595 1.900 1.006
211 HA2 GLY 28 HA2 GLY 28 6.364 0.293 1.114
212 HA3 GLY 28 HA1 GLY 28 5.303 -0.913 0.393
213 HA PRO 29 HA PRO 29 7.834 1.367 -2.996
214 HB2 PRO 29 HB2 PRO 29 9.252 -1.271 -3.139
215 HB3 PRO 29 HB1 PRO 29 9.915 0.363 -3.295
216 HG2 PRO 29 HG2 PRO 29 10.325 -1.084 -1.074
217 HG3 PRO 29 HG1 PRO 29 10.030 0.668 -0.971
218 HD2 PRO 29 HD2 PRO 29 8.119 -1.614 -0.454
219 HD3 PRO 29 HD1 PRO 29 8.342 -0.101 0.454
220 H ALA 30 HN ALA 30 6.539 1.275 -4.749
221 HA ALA 30 HA ALA 30 5.569 -1.231 -5.878
222 HB1 ALA 30 HB1 ALA 30 3.608 0.863 -4.848
223 HB2 ALA 30 HB2 ALA 30 3.882 -0.730 -4.141
224 HB3 ALA 30 HB3 ALA 30 3.205 -0.594 -5.763
225 H LYS 31 HN LYS 31 6.790 -0.655 -7.608
226 HA LYS 31 HA LYS 31 5.639 1.158 -9.550
227 HB2 LYS 31 HB2 LYS 31 7.165 2.636 -8.232
228 HB3 LYS 31 HB1 LYS 31 8.510 1.549 -8.574
229 HG2 LYS 31 HG2 LYS 31 8.329 2.084 -10.991
230 HG3 LYS 31 HG1 LYS 31 6.968 3.163 -10.647
231 HD2 LYS 31 HD2 LYS 31 8.418 4.601 -9.279
232 HD3 LYS 31 HD1 LYS 31 9.776 3.498 -9.518
233 HE2 LYS 31 HE2 LYS 31 9.771 3.997 -11.931
234 HE3 LYS 31 HE1 LYS 31 8.399 5.088 -11.715
235 HZ1 LYS 31 HZ1 LYS 31 9.789 6.449 -10.269
236 HZ2 LYS 31 HZ2 LYS 31 10.475 6.303 -11.806
237 HZ3 LYS 31 HZ3 LYS 31 11.096 5.408 -10.520
238 H HIS 32 HN HIS 32 5.282 -1.181 -10.103
239 HA HIS 32 HA HIS 32 7.541 -2.708 -11.115
240 HB2 HIS 32 HB2 HIS 32 5.916 -4.405 -11.750
241 HB3 HIS 32 HB1 HIS 32 5.516 -3.826 -10.141
242 HD1 HIS 32 HD1 HIS 32 3.276 -2.482 -9.892
243 HD2 HIS 32 HD2 HIS 32 3.950 -3.950 -13.720
244 HE1 HIS 32 HE1 HIS 32 1.089 -2.271 -11.086
245 HE2 HIS 32 HE2 HIS 32 1.581 -2.953 -13.457
246 H TYR 33 HN TYR 33 7.820 -3.288 -13.358
247 HA TYR 33 HA TYR 33 6.763 -1.335 -15.292
248 HB2 TYR 33 HB2 TYR 33 9.282 -1.641 -16.292
249 HB3 TYR 33 HB1 TYR 33 8.827 -0.337 -15.211
250 HD1 TYR 33 HD1 TYR 33 10.282 -3.810 -15.135
251 HD2 TYR 33 HD2 TYR 33 10.088 0.010 -13.230
252 HE1 TYR 33 HE1 TYR 33 12.042 -4.497 -13.568
253 HE2 TYR 33 HE2 TYR 33 11.851 -0.685 -11.667
254 HH TYR 33 HH TYR 33 13.760 -3.425 -12.167
255 H MET 34 HN MET 34 5.378 -2.743 -16.129
256 HA MET 34 HA MET 34 6.346 -5.318 -17.220
257 HB2 MET 34 HB2 MET 34 5.053 -5.706 -15.149
258 HB3 MET 34 HB1 MET 34 3.726 -4.727 -15.761
259 HG2 MET 34 HG2 MET 34 3.288 -6.384 -17.515
260 HG3 MET 34 HG1 MET 34 4.657 -7.349 -16.959
261 HE1 MET 34 HE1 MET 34 2.016 -5.413 -14.666
262 HE2 MET 34 HE2 MET 34 0.818 -6.690 -14.429
263 HE3 MET 34 HE3 MET 34 1.059 -5.984 -16.026
264 H CYS 35 HN CYS 35 5.983 -5.503 -19.361
265 HA CYS 35 HA CYS 35 4.200 -3.697 -20.779
266 HB2 CYS 35 HB2 CYS 35 6.299 -4.330 -21.838
267 HB3 CYS 35 HB1 CYS 35 5.916 -6.017 -21.667
268 HA PRO 36 HA PRO 36 0.488 -6.465 -20.557
269 HB2 PRO 36 HB2 PRO 36 0.061 -4.804 -23.065
270 HB3 PRO 36 HB1 PRO 36 -1.118 -5.293 -21.835
271 HG2 PRO 36 HG2 PRO 36 -0.098 -2.833 -21.799
272 HG3 PRO 36 HG1 PRO 36 -0.345 -3.720 -20.278
273 HD2 PRO 36 HD2 PRO 36 2.204 -3.122 -21.728
274 HD3 PRO 36 HD1 PRO 36 1.915 -3.323 -19.987
275 H ILE 37 HN ILE 37 2.092 -5.760 -23.738
276 HA ILE 37 HA ILE 37 1.054 -8.096 -24.977
277 HB ILE 37 HB ILE 37 3.182 -6.077 -25.790
278 HG12 ILE 37 HG12 ILE 37 0.276 -6.462 -26.669
279 HG13 ILE 37 HG11 ILE 37 0.861 -5.196 -25.598
280 HG21 ILE 37 HG21 ILE 37 2.052 -8.319 -27.513
281 HG22 ILE 37 HG22 ILE 37 3.722 -8.126 -26.970
282 HG23 ILE 37 HG23 ILE 37 3.036 -6.970 -28.113
283 HD11 ILE 37 HD11 ILE 37 2.155 -4.258 -27.450
284 HD12 ILE 37 HD12 ILE 37 0.431 -4.341 -27.809
285 HD13 ILE 37 HD13 ILE 37 1.536 -5.519 -28.519
286 H CYS 38 HN CYS 38 4.496 -7.315 -24.112
287 HA CYS 38 HA CYS 38 5.149 -10.172 -24.508
288 HB2 CYS 38 HB2 CYS 38 7.430 -8.327 -24.370
289 HB3 CYS 38 HB1 CYS 38 7.019 -9.515 -25.579
290 H GLY 39 HN GLY 39 6.039 -7.497 -22.300
291 HA2 GLY 39 HA2 GLY 39 5.620 -7.504 -20.024
292 HA3 GLY 39 HA1 GLY 39 5.585 -9.259 -20.040
293 H GLU 40 HN GLU 40 8.173 -7.484 -21.475
294 HA GLU 40 HA GLU 40 10.160 -8.528 -19.701
295 HB2 GLU 40 HB2 GLU 40 11.760 -7.138 -21.039
296 HB3 GLU 40 HB1 GLU 40 10.822 -8.281 -21.979
297 HG2 GLU 40 HG2 GLU 40 9.948 -5.397 -21.758
298 HG3 GLU 40 HG1 GLU 40 11.196 -5.873 -22.889
299 H ARG 41 HN ARG 41 11.846 -7.093 -18.738
300 HA ARG 41 HA ARG 41 10.588 -4.899 -17.196
301 HB2 ARG 41 HB2 ARG 41 12.782 -6.826 -16.274
302 HB3 ARG 41 HB1 ARG 41 12.069 -5.542 -15.313
303 HG2 ARG 41 HG2 ARG 41 10.996 -7.447 -14.483
304 HG3 ARG 41 HG1 ARG 41 9.824 -6.823 -15.645
305 HD2 ARG 41 HD2 ARG 41 10.845 -8.460 -17.336
306 HD3 ARG 41 HD1 ARG 41 11.700 -9.180 -15.970
307 HE ARG 41 HE ARG 41 9.009 -9.065 -15.279
308 HH11 ARG 41 HH11 ARG 41 11.004 -10.769 -17.606
309 HH12 ARG 41 HH12 ARG 41 9.853 -12.045 -17.838
310 HH21 ARG 41 HH21 ARG 41 7.498 -10.728 -15.603
311 HH22 ARG 41 HH22 ARG 41 7.862 -12.026 -16.695
312 H PHE 42 HN PHE 42 11.689 -3.006 -17.064
313 HA PHE 42 HA PHE 42 14.414 -2.777 -18.220
314 HB2 PHE 42 HB2 PHE 42 12.005 -0.935 -18.550
315 HB3 PHE 42 HB1 PHE 42 13.647 -0.444 -18.951
316 HD1 PHE 42 HD2 PHE 42 14.904 -1.634 -20.784
317 HD2 PHE 42 HD1 PHE 42 10.749 -2.343 -20.073
318 HE1 PHE 42 HE2 PHE 42 14.689 -2.654 -23.016
319 HE2 PHE 42 HE1 PHE 42 10.550 -3.360 -22.294
320 HZ PHE 42 HZ PHE 42 12.509 -3.516 -23.773
321 HA PRO 43 HA PRO 43 16.089 -0.926 -14.558
322 HB2 PRO 43 HB2 PRO 43 16.797 1.718 -15.391
323 HB3 PRO 43 HB1 PRO 43 17.809 0.267 -15.454
324 HG2 PRO 43 HG2 PRO 43 16.080 1.471 -17.608
325 HG3 PRO 43 HG1 PRO 43 17.703 0.753 -17.739
326 HD2 PRO 43 HD2 PRO 43 15.578 -0.626 -18.538
327 HD3 PRO 43 HD1 PRO 43 16.843 -1.460 -17.606
328 H SER 44 HN SER 44 13.635 1.081 -16.147
329 HA SER 44 HA SER 44 12.289 1.441 -13.613
330 HB2 SER 44 HB2 SER 44 13.923 3.407 -13.762
331 HB3 SER 44 HB1 SER 44 12.996 3.979 -15.143
332 HG SER 44 HG SER 44 12.505 4.348 -12.568
333 H LEU 45 HN LEU 45 10.356 3.073 -14.098
334 HA LEU 45 HA LEU 45 8.730 1.693 -16.098
335 HB2 LEU 45 HB2 LEU 45 8.033 1.938 -13.698
336 HB3 LEU 45 HB1 LEU 45 7.975 3.678 -13.899
337 HG LEU 45 HG LEU 45 6.061 3.456 -15.466
338 HD11 LEU 45 HD11 LEU 45 4.965 1.283 -15.830
339 HD12 LEU 45 HD12 LEU 45 6.287 0.475 -14.987
340 HD13 LEU 45 HD13 LEU 45 6.591 1.317 -16.509
341 HD21 LEU 45 HD21 LEU 45 5.628 1.927 -12.874
342 HD22 LEU 45 HD22 LEU 45 4.362 2.658 -13.862
343 HD23 LEU 45 HD23 LEU 45 5.556 3.684 -13.069
344 H LEU 46 HN LEU 46 10.639 3.362 -17.251
345 HA LEU 46 HA LEU 46 9.158 5.622 -18.392
346 HB2 LEU 46 HB2 LEU 46 12.014 5.757 -17.302
347 HB3 LEU 46 HB1 LEU 46 11.385 6.914 -18.451
348 HG LEU 46 HG LEU 46 11.309 8.006 -16.351
349 HD11 LEU 46 HD11 LEU 46 8.948 8.456 -15.955
350 HD12 LEU 46 HD12 LEU 46 8.490 7.018 -16.867
351 HD13 LEU 46 HD13 LEU 46 9.289 8.368 -17.681
352 HD21 LEU 46 HD21 LEU 46 11.603 6.075 -14.874
353 HD22 LEU 46 HD22 LEU 46 9.924 5.606 -15.128
354 HD23 LEU 46 HD23 LEU 46 10.300 7.119 -14.301
355 H THR 47 HN THR 47 12.219 3.817 -18.475
356 HA THR 47 HA THR 47 12.537 3.652 -21.267
357 HB THR 47 HB THR 47 13.995 1.590 -20.648
358 HG1 THR 47 HG1 THR 47 14.269 1.202 -18.481
359 HG21 THR 47 HG21 THR 47 14.580 4.227 -19.228
360 HG22 THR 47 HG22 THR 47 14.973 3.864 -20.910
361 HG23 THR 47 HG23 THR 47 15.758 2.968 -19.612
362 H LEU 48 HN LEU 48 10.656 1.682 -19.013
363 HA LEU 48 HA LEU 48 9.828 -0.370 -20.781
364 HB2 LEU 48 HB2 LEU 48 9.664 -0.424 -18.298
365 HB3 LEU 48 HB1 LEU 48 8.428 0.809 -18.350
366 HG LEU 48 HG LEU 48 7.703 -1.632 -17.911
367 HD11 LEU 48 HD11 LEU 48 6.062 0.107 -18.367
368 HD12 LEU 48 HD12 LEU 48 5.579 -1.420 -19.099
369 HD13 LEU 48 HD13 LEU 48 6.254 -0.136 -20.107
370 HD21 LEU 48 HD21 LEU 48 7.304 -3.081 -19.845
371 HD22 LEU 48 HD22 LEU 48 9.023 -2.724 -19.664
372 HD23 LEU 48 HD23 LEU 48 8.078 -1.901 -20.908
373 H THR 49 HN THR 49 8.646 2.894 -20.204
374 HA THR 49 HA THR 49 6.265 2.752 -21.777
375 HB THR 49 HB THR 49 7.881 5.195 -20.932
376 HG1 THR 49 HG1 THR 49 6.974 4.975 -19.008
377 HG21 THR 49 HG21 THR 49 4.939 4.961 -21.697
378 HG22 THR 49 HG22 THR 49 6.195 5.734 -22.667
379 HG23 THR 49 HG23 THR 49 5.740 6.423 -21.109
380 H GLU 50 HN GLU 50 9.581 3.823 -22.393
381 HA GLU 50 HA GLU 50 9.374 4.632 -25.068
382 HB2 GLU 50 HB2 GLU 50 11.739 3.209 -23.784
383 HB3 GLU 50 HB1 GLU 50 11.790 4.215 -25.231
384 HG2 GLU 50 HG2 GLU 50 11.234 5.111 -22.392
385 HG3 GLU 50 HG1 GLU 50 12.668 5.446 -23.348
386 H HIS 51 HN HIS 51 9.711 1.397 -23.691
387 HA HIS 51 HA HIS 51 9.873 -0.028 -26.160
388 HB2 HIS 51 HB2 HIS 51 10.679 -1.147 -24.208
389 HB3 HIS 51 HB1 HIS 51 9.185 -0.859 -23.322
390 HD1 HIS 51 HD1 HIS 51 10.429 -2.934 -26.281
391 HD2 HIS 51 HD2 HIS 51 7.392 -2.858 -23.455
392 HE1 HIS 51 HE1 HIS 51 9.035 -5.002 -26.681
393 H LYS 52 HN LYS 52 7.213 1.143 -24.220
394 HA LYS 52 HA LYS 52 5.153 -0.550 -25.077
395 HB2 LYS 52 HB2 LYS 52 5.104 0.964 -23.079
396 HB3 LYS 52 HB1 LYS 52 4.908 2.340 -24.155
397 HG2 LYS 52 HG2 LYS 52 2.741 1.366 -24.947
398 HG3 LYS 52 HG1 LYS 52 2.938 0.053 -23.780
399 HD2 LYS 52 HD2 LYS 52 2.661 3.020 -23.125
400 HD3 LYS 52 HD1 LYS 52 1.421 1.784 -22.907
401 HE2 LYS 52 HE2 LYS 52 2.831 0.660 -21.221
402 HE3 LYS 52 HE1 LYS 52 4.087 1.880 -21.441
403 HZ1 LYS 52 HZ1 LYS 52 1.334 2.386 -20.457
404 HZ2 LYS 52 HZ2 LYS 52 2.534 3.559 -20.648
405 HZ3 LYS 52 HZ3 LYS 52 2.725 2.333 -19.501
406 H VAL 53 HN VAL 53 6.352 2.500 -26.462
407 HA VAL 53 HA VAL 53 4.250 2.701 -28.429
408 HB VAL 53 HB VAL 53 5.478 4.660 -29.250
409 HG11 VAL 53 HG11 VAL 53 5.330 4.617 -26.207
410 HG12 VAL 53 HG12 VAL 53 3.999 4.971 -27.310
411 HG13 VAL 53 HG13 VAL 53 5.373 6.071 -27.212
412 HG21 VAL 53 HG21 VAL 53 7.803 3.878 -29.010
413 HG22 VAL 53 HG22 VAL 53 7.665 3.936 -27.252
414 HG23 VAL 53 HG23 VAL 53 7.594 5.430 -28.194
415 H THR 54 HN THR 54 7.500 1.352 -28.334
416 HA THR 54 HA THR 54 7.834 1.227 -31.189
417 HB THR 54 HB THR 54 9.949 -0.099 -30.560
418 HG1 THR 54 HG1 THR 54 9.180 -0.830 -28.531
419 HG21 THR 54 HG21 THR 54 9.578 2.646 -29.309
420 HG22 THR 54 HG22 THR 54 10.031 2.329 -30.985
421 HG23 THR 54 HG23 THR 54 11.127 1.879 -29.678
422 H HIS 55 HN HIS 55 5.610 -0.535 -29.749
423 HA HIS 55 HA HIS 55 6.101 -3.125 -30.882
424 HB2 HIS 55 HB2 HIS 55 3.477 -1.760 -30.152
425 HB3 HIS 55 HB1 HIS 55 3.628 -3.443 -30.632
426 HD1 HIS 55 HD1 HIS 55 3.408 -1.450 -27.704
427 HD2 HIS 55 HD2 HIS 55 5.556 -4.856 -28.738
428 HE1 HIS 55 HE1 HIS 55 4.063 -2.563 -25.542
Start of MODEL 18
1 H1 MET 1 HT1 MET 1 -10.608 22.770 7.839
2 H2 MET 1 HT2 MET 1 -12.238 23.087 7.543
3 H3 MET 1 HT3 MET 1 -11.263 22.456 6.313
4 HA MET 1 HA MET 1 -11.976 21.100 8.839
5 HB2 MET 1 HB2 MET 1 -12.926 20.657 5.971
6 HB3 MET 1 HB1 MET 1 -13.184 19.491 7.263
7 HG2 MET 1 HG2 MET 1 -14.268 22.315 7.229
8 HG3 MET 1 HG1 MET 1 -15.181 20.855 6.828
9 HE1 MET 1 HE1 MET 1 -16.822 21.590 10.264
10 HE2 MET 1 HE2 MET 1 -17.090 21.014 8.620
11 HE3 MET 1 HE3 MET 1 -16.505 22.657 8.893
12 H GLY 2 HN GLY 2 -10.895 20.256 5.527
13 HA2 GLY 2 HA2 GLY 2 -9.393 18.029 6.113
14 HA3 GLY 2 HA1 GLY 2 -9.174 19.059 4.708
15 H SER 3 HN SER 3 -8.067 18.368 7.942
16 HA SER 3 HA SER 3 -5.666 20.000 7.652
17 HB2 SER 3 HB2 SER 3 -6.579 18.226 9.965
18 HB3 SER 3 HB1 SER 3 -5.252 19.388 9.989
19 HG SER 3 HG SER 3 -7.827 20.270 9.298
20 H HIS 4 HN HIS 4 -4.626 19.012 6.156
21 HA HIS 4 HA HIS 4 -4.158 16.116 6.037
22 HB2 HIS 4 HB2 HIS 4 -3.239 18.311 4.126
23 HB3 HIS 4 HB1 HIS 4 -3.040 16.582 3.863
24 HD1 HIS 4 HD1 HIS 4 -5.028 15.319 2.906
25 HD2 HIS 4 HD2 HIS 4 -5.943 19.241 3.907
26 HE1 HIS 4 HE1 HIS 4 -7.313 15.732 1.972
27 HE2 HIS 4 HE2 HIS 4 -7.757 18.164 2.425
28 H LYS 5 HN LYS 5 -3.088 16.485 8.211
29 HA LYS 5 HA LYS 5 -0.159 16.719 7.871
30 HB2 LYS 5 HB2 LYS 5 -1.055 17.873 9.866
31 HB3 LYS 5 HB1 LYS 5 -1.835 16.389 10.409
32 HG2 LYS 5 HG2 LYS 5 0.337 15.327 10.781
33 HG3 LYS 5 HG1 LYS 5 1.171 16.725 10.096
34 HD2 LYS 5 HD2 LYS 5 0.242 18.125 11.970
35 HD3 LYS 5 HD1 LYS 5 -0.430 16.654 12.684
36 HE2 LYS 5 HE2 LYS 5 1.821 15.726 12.970
37 HE3 LYS 5 HE1 LYS 5 2.528 17.102 12.124
38 HZ1 LYS 5 HZ1 LYS 5 1.744 18.541 13.897
39 HZ2 LYS 5 HZ2 LYS 5 2.772 17.338 14.494
40 HZ3 LYS 5 HZ3 LYS 5 1.104 17.210 14.720
41 H CYS 6 HN CYS 6 0.967 14.849 7.597
42 HA CYS 6 HA CYS 6 -0.523 12.375 7.415
43 HB2 CYS 6 HB2 CYS 6 1.042 12.926 5.630
44 HB3 CYS 6 HB1 CYS 6 2.364 13.060 6.785
45 H ASN 7 HN ASN 7 -0.980 11.799 9.530
46 HA ASN 7 HA ASN 7 0.560 12.156 11.793
47 HB2 ASN 7 HB2 ASN 7 -0.987 10.641 12.953
48 HB3 ASN 7 HB1 ASN 7 -1.860 11.710 11.864
49 HD21 ASN 7 HD21 ASN 7 -2.625 9.095 12.992
50 HD22 ASN 7 HD22 ASN 7 -2.998 8.090 11.640
51 H VAL 8 HN VAL 8 0.726 9.463 9.563
52 HA VAL 8 HA VAL 8 1.668 7.379 11.128
53 HB VAL 8 HB VAL 8 2.441 7.958 8.220
54 HG11 VAL 8 HG11 VAL 8 2.741 5.516 7.984
55 HG12 VAL 8 HG12 VAL 8 2.439 5.298 9.710
56 HG13 VAL 8 HG13 VAL 8 3.864 6.188 9.163
57 HG21 VAL 8 HG21 VAL 8 0.060 6.400 9.295
58 HG22 VAL 8 HG22 VAL 8 0.491 6.600 7.594
59 HG23 VAL 8 HG23 VAL 8 0.010 8.002 8.547
60 H CYS 9 HN CYS 9 3.675 9.539 9.149
61 HA CYS 9 HA CYS 9 6.120 8.909 10.681
62 HB2 CYS 9 HB2 CYS 9 7.236 10.074 8.848
63 HB3 CYS 9 HB1 CYS 9 6.141 8.854 8.230
64 H SER 10 HN SER 10 3.907 11.440 9.986
65 HA SER 10 HA SER 10 3.130 13.127 11.320
66 HB2 SER 10 HB2 SER 10 5.765 13.048 12.848
67 HB3 SER 10 HB1 SER 10 4.365 14.024 13.279
68 HG SER 10 HG SER 10 3.229 11.878 13.303
69 H ARG 11 HN ARG 11 5.009 13.158 8.891
70 HA ARG 11 HA ARG 11 5.715 16.028 8.888
71 HB2 ARG 11 HB2 ARG 11 6.446 13.802 6.942
72 HB3 ARG 11 HB1 ARG 11 6.981 15.477 6.801
73 HG2 ARG 11 HG2 ARG 11 7.641 13.584 9.083
74 HG3 ARG 11 HG1 ARG 11 8.733 14.056 7.776
75 HD2 ARG 11 HD2 ARG 11 8.849 16.308 8.562
76 HD3 ARG 11 HD1 ARG 11 7.498 16.078 9.676
77 HE ARG 11 HE ARG 11 10.238 15.037 9.999
78 HH11 ARG 11 HH11 ARG 11 7.062 15.577 11.410
79 HH12 ARG 11 HH12 ARG 11 7.600 15.289 13.031
80 HH21 ARG 11 HH21 ARG 11 10.933 14.683 12.140
81 HH22 ARG 11 HH22 ARG 11 9.802 14.791 13.447
82 H THR 12 HN THR 12 5.413 17.015 6.481
83 HA THR 12 HA THR 12 2.602 16.566 5.684
84 HB THR 12 HB THR 12 2.571 18.280 7.485
85 HG1 THR 12 HG1 THR 12 0.903 18.853 6.314
86 HG21 THR 12 HG21 THR 12 3.471 20.543 7.083
87 HG22 THR 12 HG22 THR 12 4.218 19.982 5.585
88 HG23 THR 12 HG23 THR 12 4.767 19.345 7.138
89 H PHE 13 HN PHE 13 1.944 17.851 3.854
90 HA PHE 13 HA PHE 13 3.675 17.497 1.610
91 HB2 PHE 13 HB2 PHE 13 1.677 18.066 0.288
92 HB3 PHE 13 HB1 PHE 13 1.253 16.958 1.582
93 HD1 PHE 13 HD1 PHE 13 0.098 17.908 3.688
94 HD2 PHE 13 HD2 PHE 13 0.574 20.194 0.119
95 HE1 PHE 13 HE1 PHE 13 -1.668 19.446 4.423
96 HE2 PHE 13 HE2 PHE 13 -1.190 21.721 0.862
97 HZ PHE 13 HZ PHE 13 -2.325 21.352 3.017
98 H PHE 14 HN PHE 14 3.208 19.268 -0.232
99 HA PHE 14 HA PHE 14 3.967 21.974 0.709
100 HB2 PHE 14 HB2 PHE 14 4.777 20.762 -1.980
101 HB3 PHE 14 HB1 PHE 14 5.389 22.236 -1.229
102 HD1 PHE 14 HD2 PHE 14 6.768 21.993 0.935
103 HD2 PHE 14 HD1 PHE 14 5.875 18.685 -1.625
104 HE1 PHE 14 HE2 PHE 14 8.603 20.709 1.941
105 HE2 PHE 14 HE1 PHE 14 7.708 17.408 -0.607
106 HZ PHE 14 HZ PHE 14 9.081 18.420 1.172
107 H SER 15 HN SER 15 2.684 20.160 -2.092
108 HA SER 15 HA SER 15 0.333 21.959 -2.267
109 HB2 SER 15 HB2 SER 15 1.650 20.317 -4.479
110 HB3 SER 15 HB1 SER 15 0.211 21.315 -4.666
111 HG SER 15 HG SER 15 1.493 23.118 -4.094
112 H GLU 16 HN GLU 16 -1.644 20.743 -3.156
113 HA GLU 16 HA GLU 16 -2.439 19.025 -1.115
114 HB2 GLU 16 HB2 GLU 16 -4.569 18.796 -2.366
115 HB3 GLU 16 HB1 GLU 16 -4.020 20.466 -2.242
116 HG2 GLU 16 HG2 GLU 16 -3.070 20.209 -4.591
117 HG3 GLU 16 HG1 GLU 16 -3.905 18.658 -4.677
118 H ASN 17 HN ASN 17 -1.598 18.144 -4.461
119 HA ASN 17 HA ASN 17 -2.256 15.373 -4.209
120 HB2 ASN 17 HB2 ASN 17 -2.218 16.505 -6.391
121 HB3 ASN 17 HB1 ASN 17 -0.493 16.816 -6.233
122 HD21 ASN 17 HD21 ASN 17 0.949 15.197 -6.745
123 HD22 ASN 17 HD22 ASN 17 0.483 13.681 -7.426
124 H GLY 18 HN GLY 18 0.409 17.243 -3.190
125 HA2 GLY 18 HA2 GLY 18 2.559 15.435 -3.211
126 HA3 GLY 18 HA1 GLY 18 2.385 16.806 -2.127
127 H LEU 19 HN LEU 19 0.157 16.095 -0.631
128 HA LEU 19 HA LEU 19 1.226 14.256 1.262
129 HB2 LEU 19 HB2 LEU 19 -0.560 16.204 1.521
130 HB3 LEU 19 HB1 LEU 19 -1.726 14.957 1.175
131 HG LEU 19 HG LEU 19 -1.536 15.383 3.597
132 HD11 LEU 19 HD11 LEU 19 -2.164 13.110 2.931
133 HD12 LEU 19 HD12 LEU 19 -1.278 13.131 4.455
134 HD13 LEU 19 HD13 LEU 19 -0.465 12.622 2.972
135 HD21 LEU 19 HD21 LEU 19 0.489 14.843 4.875
136 HD22 LEU 19 HD22 LEU 19 0.775 16.145 3.721
137 HD23 LEU 19 HD23 LEU 19 1.361 14.513 3.375
138 H ARG 20 HN ARG 20 -1.280 14.022 -1.200
139 HA ARG 20 HA ARG 20 -2.307 11.475 -0.696
140 HB2 ARG 20 HB2 ARG 20 -2.051 12.919 -3.371
141 HB3 ARG 20 HB1 ARG 20 -3.115 11.551 -3.063
142 HG2 ARG 20 HG2 ARG 20 -3.323 14.215 -1.614
143 HG3 ARG 20 HG1 ARG 20 -4.251 13.798 -3.057
144 HD2 ARG 20 HD2 ARG 20 -4.346 12.214 -0.463
145 HD3 ARG 20 HD1 ARG 20 -5.500 13.481 -0.899
146 HE ARG 20 HE ARG 20 -5.631 11.839 -3.032
147 HH11 ARG 20 HH11 ARG 20 -5.776 11.052 0.391
148 HH12 ARG 20 HH12 ARG 20 -6.918 9.770 0.160
149 HH21 ARG 20 HH21 ARG 20 -7.094 10.158 -3.309
150 HH22 ARG 20 HH22 ARG 20 -7.685 9.283 -1.933
151 H GLU 21 HN GLU 21 0.194 12.402 -3.082
152 HA GLU 21 HA GLU 21 0.967 9.916 -4.025
153 HB2 GLU 21 HB2 GLU 21 1.656 12.058 -5.050
154 HB3 GLU 21 HB1 GLU 21 2.634 12.436 -3.637
155 HG2 GLU 21 HG2 GLU 21 4.064 10.438 -4.165
156 HG3 GLU 21 HG1 GLU 21 3.135 10.212 -5.647
157 H HIS 22 HN HIS 22 2.286 11.825 -1.385
158 HA HIS 22 HA HIS 22 4.321 10.137 -0.481
159 HB2 HIS 22 HB2 HIS 22 4.301 12.453 0.140
160 HB3 HIS 22 HB1 HIS 22 2.686 12.345 0.817
161 HD1 HIS 22 HD1 HIS 22 6.264 11.305 1.632
162 HD2 HIS 22 HD2 HIS 22 2.552 11.765 3.421
163 HE1 HIS 22 HE1 HIS 22 6.617 10.956 4.106
164 H LEU 23 HN LEU 23 0.892 10.182 0.236
165 HA LEU 23 HA LEU 23 0.921 8.398 2.468
166 HB2 LEU 23 HB2 LEU 23 -0.836 10.165 1.864
167 HB3 LEU 23 HB1 LEU 23 -1.427 9.028 0.662
168 HG LEU 23 HG LEU 23 -1.809 7.364 2.517
169 HD11 LEU 23 HD11 LEU 23 -1.826 8.185 4.860
170 HD12 LEU 23 HD12 LEU 23 -1.115 9.706 4.313
171 HD13 LEU 23 HD13 LEU 23 -0.207 8.200 4.155
172 HD21 LEU 23 HD21 LEU 23 -3.684 8.712 1.668
173 HD22 LEU 23 HD22 LEU 23 -3.278 10.014 2.788
174 HD23 LEU 23 HD23 LEU 23 -3.850 8.462 3.407
175 H GLN 24 HN GLN 24 0.698 8.002 -1.030
176 HA GLN 24 HA GLN 24 -0.296 5.286 -0.959
177 HB2 GLN 24 HB2 GLN 24 0.813 6.968 -3.253
178 HB3 GLN 24 HB1 GLN 24 0.021 5.405 -3.427
179 HG2 GLN 24 HG2 GLN 24 -2.071 6.371 -2.523
180 HG3 GLN 24 HG1 GLN 24 -1.274 7.929 -2.367
181 HE21 GLN 24 HE21 GLN 24 -3.633 7.332 -3.880
182 HE22 GLN 24 HE22 GLN 24 -3.296 7.720 -5.528
183 H THR 25 HN THR 25 2.762 6.989 -1.398
184 HA THR 25 HA THR 25 4.333 4.664 -2.075
185 HB THR 25 HB THR 25 6.246 6.284 -1.928
186 HG1 THR 25 HG1 THR 25 4.740 8.543 -1.742
187 HG21 THR 25 HG21 THR 25 5.015 6.079 -4.073
188 HG22 THR 25 HG22 THR 25 5.593 7.725 -3.818
189 HG23 THR 25 HG23 THR 25 3.891 7.338 -3.547
190 H HIS 26 HN HIS 26 3.067 5.745 0.833
191 HA HIS 26 HA HIS 26 5.142 5.445 2.683
192 HB2 HIS 26 HB2 HIS 26 2.341 5.998 2.800
193 HB3 HIS 26 HB1 HIS 26 2.608 4.665 3.910
194 HD1 HIS 26 HD1 HIS 26 5.181 5.411 5.346
195 HD2 HIS 26 HD2 HIS 26 2.331 8.197 4.198
196 HE1 HIS 26 HE1 HIS 26 5.570 7.462 6.790
197 H ARG 27 HN ARG 27 4.212 2.942 0.767
198 HA ARG 27 HA ARG 27 4.049 0.769 2.615
199 HB2 ARG 27 HB2 ARG 27 4.383 -0.683 0.670
200 HB3 ARG 27 HB1 ARG 27 3.195 0.560 0.303
201 HG2 ARG 27 HG2 ARG 27 4.702 1.743 -1.121
202 HG3 ARG 27 HG1 ARG 27 6.097 0.848 -0.512
203 HD2 ARG 27 HD2 ARG 27 3.855 -0.263 -2.240
204 HD3 ARG 27 HD1 ARG 27 5.520 0.060 -2.747
205 HE ARG 27 HE ARG 27 5.407 -1.746 -0.518
206 HH11 ARG 27 HH11 ARG 27 5.218 -1.657 -4.035
207 HH12 ARG 27 HH12 ARG 27 5.501 -3.361 -4.199
208 HH21 ARG 27 HH21 ARG 27 5.808 -3.948 -0.761
209 HH22 ARG 27 HH22 ARG 27 5.857 -4.650 -2.348
210 H GLY 28 HN GLY 28 6.698 2.662 1.316
211 HA2 GLY 28 HA2 GLY 28 8.799 0.846 2.176
212 HA3 GLY 28 HA1 GLY 28 8.986 2.470 1.538
213 HA PRO 29 HA PRO 29 9.708 2.499 6.151
214 HB2 PRO 29 HB2 PRO 29 12.314 3.143 6.267
215 HB3 PRO 29 HB1 PRO 29 11.802 1.528 5.755
216 HG2 PRO 29 HG2 PRO 29 12.727 3.842 4.075
217 HG3 PRO 29 HG1 PRO 29 13.104 2.114 3.912
218 HD2 PRO 29 HD2 PRO 29 11.125 3.487 2.459
219 HD3 PRO 29 HD1 PRO 29 11.221 1.723 2.633
220 H ALA 30 HN ALA 30 9.363 4.147 7.480
221 HA ALA 30 HA ALA 30 10.051 6.951 6.786
222 HB1 ALA 30 HB1 ALA 30 7.616 6.617 7.047
223 HB2 ALA 30 HB2 ALA 30 8.245 7.614 8.363
224 HB3 ALA 30 HB3 ALA 30 7.870 5.910 8.644
225 H LYS 31 HN LYS 31 11.892 5.073 7.714
226 HA LYS 31 HA LYS 31 12.103 4.955 10.596
227 HB2 LYS 31 HB2 LYS 31 12.532 2.999 9.126
228 HB3 LYS 31 HB1 LYS 31 13.862 3.853 8.355
229 HG2 LYS 31 HG2 LYS 31 15.121 3.827 10.487
230 HG3 LYS 31 HG1 LYS 31 13.773 2.993 11.271
231 HD2 LYS 31 HD2 LYS 31 14.059 1.093 9.657
232 HD3 LYS 31 HD1 LYS 31 15.455 1.920 8.966
233 HE2 LYS 31 HE2 LYS 31 16.174 0.176 10.516
234 HE3 LYS 31 HE1 LYS 31 16.618 1.764 11.137
235 HZ1 LYS 31 HZ1 LYS 31 14.262 0.183 12.009
236 HZ2 LYS 31 HZ2 LYS 31 14.730 1.680 12.632
237 HZ3 LYS 31 HZ3 LYS 31 15.716 0.330 12.857
238 H HIS 32 HN HIS 32 13.788 5.772 11.838
239 HA HIS 32 HA HIS 32 15.370 8.014 10.740
240 HB2 HIS 32 HB2 HIS 32 14.640 7.309 13.623
241 HB3 HIS 32 HB1 HIS 32 15.636 8.680 13.149
242 HD1 HIS 32 HD1 HIS 32 14.385 10.815 13.002
243 HD2 HIS 32 HD2 HIS 32 11.899 7.543 12.390
244 HE1 HIS 32 HE1 HIS 32 12.077 11.757 12.757
245 HE2 HIS 32 HE2 HIS 32 10.603 9.771 12.276
246 H TYR 33 HN TYR 33 17.563 7.709 10.584
247 HA TYR 33 HA TYR 33 18.377 4.939 10.734
248 HB2 TYR 33 HB2 TYR 33 19.648 7.402 9.483
249 HB3 TYR 33 HB1 TYR 33 20.396 5.804 9.430
250 HD1 TYR 33 HD1 TYR 33 17.274 7.653 8.449
251 HD2 TYR 33 HD2 TYR 33 19.711 4.210 7.789
252 HE1 TYR 33 HE1 TYR 33 15.883 7.042 6.524
253 HE2 TYR 33 HE2 TYR 33 18.325 3.608 5.859
254 HH TYR 33 HH TYR 33 16.127 3.985 4.965
255 H MET 34 HN MET 34 19.410 4.087 12.356
256 HA MET 34 HA MET 34 20.815 5.685 14.385
257 HB2 MET 34 HB2 MET 34 18.934 4.167 15.123
258 HB3 MET 34 HB1 MET 34 19.831 2.791 14.501
259 HG2 MET 34 HG2 MET 34 21.676 3.408 16.143
260 HG3 MET 34 HG1 MET 34 20.548 4.554 16.857
261 HE1 MET 34 HE1 MET 34 18.066 3.669 17.813
262 HE2 MET 34 HE2 MET 34 17.681 1.963 17.999
263 HE3 MET 34 HE3 MET 34 17.790 2.671 16.386
264 H CYS 35 HN CYS 35 22.973 5.100 14.958
265 HA CYS 35 HA CYS 35 24.622 4.285 12.811
266 HB2 CYS 35 HB2 CYS 35 25.417 5.896 14.378
267 HB3 CYS 35 HB1 CYS 35 25.183 4.817 15.715
268 HA PRO 36 HA PRO 36 24.936 -0.175 13.505
269 HB2 PRO 36 HB2 PRO 36 27.529 0.092 12.028
270 HB3 PRO 36 HB1 PRO 36 26.136 -0.937 11.667
271 HG2 PRO 36 HG2 PRO 36 26.638 1.225 10.171
272 HG3 PRO 36 HG1 PRO 36 24.967 0.799 10.601
273 HD2 PRO 36 HD2 PRO 36 26.763 2.887 11.850
274 HD3 PRO 36 HD1 PRO 36 25.058 3.013 11.363
275 H ILE 37 HN ILE 37 27.915 1.843 13.911
276 HA ILE 37 HA ILE 37 29.294 -0.273 15.260
277 HB ILE 37 HB ILE 37 30.135 2.623 14.877
278 HG12 ILE 37 HG12 ILE 37 30.743 0.217 13.079
279 HG13 ILE 37 HG11 ILE 37 29.570 1.472 12.695
280 HG21 ILE 37 HG21 ILE 37 32.445 1.742 15.106
281 HG22 ILE 37 HG22 ILE 37 31.792 0.140 15.449
282 HG23 ILE 37 HG23 ILE 37 31.490 1.473 16.564
283 HD11 ILE 37 HD11 ILE 37 32.554 1.844 12.983
284 HD12 ILE 37 HD12 ILE 37 31.396 3.127 12.630
285 HD13 ILE 37 HD13 ILE 37 31.631 1.809 11.482
286 H CYS 38 HN CYS 38 28.431 3.082 16.399
287 HA CYS 38 HA CYS 38 28.685 2.106 19.167
288 HB2 CYS 38 HB2 CYS 38 29.076 4.385 19.831
289 HB3 CYS 38 HB1 CYS 38 30.167 3.982 18.526
290 H GLY 39 HN GLY 39 26.427 4.220 17.217
291 HA2 GLY 39 HA2 GLY 39 24.326 3.297 16.771
292 HA3 GLY 39 HA1 GLY 39 24.364 2.455 18.299
293 H GLU 40 HN GLU 40 24.973 5.936 17.914
294 HA GLU 40 HA GLU 40 22.491 6.624 19.234
295 HB2 GLU 40 HB2 GLU 40 23.209 8.935 19.013
296 HB3 GLU 40 HB1 GLU 40 24.507 7.957 19.667
297 HG2 GLU 40 HG2 GLU 40 24.366 8.710 16.740
298 HG3 GLU 40 HG1 GLU 40 25.086 9.749 17.939
299 H ARG 41 HN ARG 41 20.870 8.012 18.310
300 HA ARG 41 HA ARG 41 20.055 7.009 15.687
301 HB2 ARG 41 HB2 ARG 41 18.522 8.632 17.763
302 HB3 ARG 41 HB1 ARG 41 17.825 7.899 16.319
303 HG2 ARG 41 HG2 ARG 41 18.191 5.683 17.150
304 HG3 ARG 41 HG1 ARG 41 19.194 6.271 18.474
305 HD2 ARG 41 HD2 ARG 41 17.126 7.476 19.350
306 HD3 ARG 41 HD1 ARG 41 16.205 6.598 18.127
307 HE ARG 41 HE ARG 41 16.835 4.524 19.218
308 HH11 ARG 41 HH11 ARG 41 17.331 7.421 21.136
309 HH12 ARG 41 HH12 ARG 41 17.256 6.578 22.648
310 HH21 ARG 41 HH21 ARG 41 16.745 3.427 21.208
311 HH22 ARG 41 HH22 ARG 41 16.917 4.320 22.685
312 H PHE 42 HN PHE 42 19.719 8.241 13.908
313 HA PHE 42 HA PHE 42 20.071 11.182 14.036
314 HB2 PHE 42 HB2 PHE 42 21.010 9.272 11.841
315 HB3 PHE 42 HB1 PHE 42 21.030 11.026 11.708
316 HD1 PHE 42 HD2 PHE 42 22.603 12.389 13.046
317 HD2 PHE 42 HD1 PHE 42 22.665 8.118 13.266
318 HE1 PHE 42 HE2 PHE 42 24.803 12.477 14.149
319 HE2 PHE 42 HE1 PHE 42 24.852 8.218 14.376
320 HZ PHE 42 HZ PHE 42 25.926 10.386 14.815
321 HA PRO 43 HA PRO 43 16.017 11.627 12.261
322 HB2 PRO 43 HB2 PRO 43 16.462 13.659 10.363
323 HB3 PRO 43 HB1 PRO 43 16.208 13.919 12.094
324 HG2 PRO 43 HG2 PRO 43 18.803 13.740 10.570
325 HG3 PRO 43 HG1 PRO 43 18.321 14.891 11.836
326 HD2 PRO 43 HD2 PRO 43 19.920 12.837 12.425
327 HD3 PRO 43 HD1 PRO 43 18.633 13.319 13.555
328 H SER 44 HN SER 44 18.702 11.285 9.897
329 HA SER 44 HA SER 44 17.082 9.708 8.088
330 HB2 SER 44 HB2 SER 44 18.086 12.454 7.174
331 HB3 SER 44 HB1 SER 44 17.326 11.243 6.140
332 HG SER 44 HG SER 44 16.147 13.144 7.523
333 H LEU 45 HN LEU 45 18.440 9.352 5.996
334 HA LEU 45 HA LEU 45 21.050 8.340 6.830
335 HB2 LEU 45 HB2 LEU 45 19.354 6.972 5.546
336 HB3 LEU 45 HB1 LEU 45 19.577 8.036 4.170
337 HG LEU 45 HG LEU 45 21.974 7.297 4.016
338 HD11 LEU 45 HD11 LEU 45 22.345 6.661 6.366
339 HD12 LEU 45 HD12 LEU 45 22.745 5.338 5.276
340 HD13 LEU 45 HD13 LEU 45 21.233 5.300 6.184
341 HD21 LEU 45 HD21 LEU 45 21.502 5.044 3.101
342 HD22 LEU 45 HD22 LEU 45 20.270 6.205 2.617
343 HD23 LEU 45 HD23 LEU 45 19.928 5.046 3.903
344 H LEU 46 HN LEU 46 21.492 10.865 6.985
345 HA LEU 46 HA LEU 46 23.163 11.585 4.685
346 HB2 LEU 46 HB2 LEU 46 21.258 13.558 6.041
347 HB3 LEU 46 HB1 LEU 46 22.598 14.045 5.031
348 HG LEU 46 HG LEU 46 20.654 14.323 3.712
349 HD11 LEU 46 HD11 LEU 46 22.516 13.323 2.480
350 HD12 LEU 46 HD12 LEU 46 20.958 12.854 1.809
351 HD13 LEU 46 HD13 LEU 46 21.867 11.706 2.792
352 HD21 LEU 46 HD21 LEU 46 19.059 13.011 5.028
353 HD22 LEU 46 HD22 LEU 46 19.741 11.513 4.395
354 HD23 LEU 46 HD23 LEU 46 18.925 12.641 3.311
355 H THR 47 HN THR 47 22.077 12.639 7.911
356 HA THR 47 HA THR 47 24.596 13.537 8.861
357 HB THR 47 HB THR 47 23.437 13.447 11.141
358 HG1 THR 47 HG1 THR 47 20.958 13.080 10.005
359 HG21 THR 47 HG21 THR 47 23.337 15.508 9.790
360 HG22 THR 47 HG22 THR 47 21.816 15.249 10.647
361 HG23 THR 47 HG23 THR 47 21.929 14.885 8.923
362 H LEU 48 HN LEU 48 22.880 10.450 9.081
363 HA LEU 48 HA LEU 48 24.622 9.105 10.819
364 HB2 LEU 48 HB2 LEU 48 22.358 8.322 10.211
365 HB3 LEU 48 HB1 LEU 48 22.877 8.011 8.567
366 HG LEU 48 HG LEU 48 22.584 5.999 10.211
367 HD11 LEU 48 HD11 LEU 48 25.168 6.160 8.628
368 HD12 LEU 48 HD12 LEU 48 23.584 5.719 7.987
369 HD13 LEU 48 HD13 LEU 48 24.363 4.685 9.180
370 HD21 LEU 48 HD21 LEU 48 23.799 6.851 12.125
371 HD22 LEU 48 HD22 LEU 48 25.278 7.002 11.178
372 HD23 LEU 48 HD23 LEU 48 24.610 5.411 11.520
373 H THR 49 HN THR 49 24.678 9.441 7.292
374 HA THR 49 HA THR 49 26.912 7.789 6.772
375 HB THR 49 HB THR 49 25.852 10.126 5.123
376 HG1 THR 49 HG1 THR 49 24.418 8.705 4.258
377 HG21 THR 49 HG21 THR 49 28.058 9.353 4.337
378 HG22 THR 49 HG22 THR 49 26.796 8.915 3.187
379 HG23 THR 49 HG23 THR 49 27.462 7.689 4.265
380 H GLU 50 HN GLU 50 26.605 11.289 7.304
381 HA GLU 50 HA GLU 50 29.267 12.124 6.978
382 HB2 GLU 50 HB2 GLU 50 27.098 13.193 8.825
383 HB3 GLU 50 HB1 GLU 50 28.634 14.017 8.564
384 HG2 GLU 50 HG2 GLU 50 28.100 14.315 6.190
385 HG3 GLU 50 HG1 GLU 50 26.604 13.410 6.392
386 H HIS 51 HN HIS 51 27.565 10.941 9.847
387 HA HIS 51 HA HIS 51 29.697 11.169 11.701
388 HB2 HIS 51 HB2 HIS 51 27.472 11.077 12.556
389 HB3 HIS 51 HB1 HIS 51 27.085 9.628 11.639
390 HD1 HIS 51 HD1 HIS 51 29.238 10.670 14.615
391 HD2 HIS 51 HD2 HIS 51 27.326 7.342 13.024
392 HE1 HIS 51 HE1 HIS 51 29.489 8.824 16.319
393 H LYS 52 HN LYS 52 28.584 8.557 9.632
394 HA LYS 52 HA LYS 52 29.908 6.407 10.824
395 HB2 LYS 52 HB2 LYS 52 27.973 6.234 9.268
396 HB3 LYS 52 HB1 LYS 52 29.022 6.691 7.931
397 HG2 LYS 52 HG2 LYS 52 30.361 4.627 8.295
398 HG3 LYS 52 HG1 LYS 52 29.276 4.175 9.617
399 HD2 LYS 52 HD2 LYS 52 27.378 4.062 8.051
400 HD3 LYS 52 HD1 LYS 52 28.423 4.572 6.721
401 HE2 LYS 52 HE2 LYS 52 29.784 2.523 7.031
402 HE3 LYS 52 HE1 LYS 52 28.693 2.006 8.317
403 HZ1 LYS 52 HZ1 LYS 52 26.895 1.983 6.675
404 HZ2 LYS 52 HZ2 LYS 52 28.137 0.912 6.280
405 HZ3 LYS 52 HZ3 LYS 52 27.996 2.385 5.458
406 H VAL 53 HN VAL 53 30.910 8.497 8.108
407 HA VAL 53 HA VAL 53 33.359 7.065 7.648
408 HB VAL 53 HB VAL 53 33.870 8.901 6.035
409 HG11 VAL 53 HG11 VAL 53 32.053 8.397 4.437
410 HG12 VAL 53 HG12 VAL 53 31.089 7.714 5.748
411 HG13 VAL 53 HG13 VAL 53 32.603 6.943 5.272
412 HG21 VAL 53 HG21 VAL 53 31.198 10.076 6.903
413 HG22 VAL 53 HG22 VAL 53 32.164 10.620 5.531
414 HG23 VAL 53 HG23 VAL 53 32.787 10.805 7.169
415 H THR 54 HN THR 54 32.420 9.901 9.504
416 HA THR 54 HA THR 54 35.206 10.595 10.156
417 HB THR 54 HB THR 54 34.266 12.615 11.239
418 HG1 THR 54 HG1 THR 54 31.731 12.538 10.415
419 HG21 THR 54 HG21 THR 54 33.092 12.173 8.468
420 HG22 THR 54 HG22 THR 54 34.723 12.745 8.818
421 HG23 THR 54 HG23 THR 54 33.332 13.742 9.244
422 H HIS 55 HN HIS 55 34.517 8.091 11.196
423 HA HIS 55 HA HIS 55 32.997 8.311 13.650
424 HB2 HIS 55 HB2 HIS 55 33.089 6.311 11.864
425 HB3 HIS 55 HB1 HIS 55 34.417 5.743 12.869
426 HD1 HIS 55 HD1 HIS 55 33.747 5.123 15.425
427 HD2 HIS 55 HD2 HIS 55 30.599 5.999 12.868
428 HE1 HIS 55 HE1 HIS 55 31.631 4.429 16.634
Start of MODEL 19
1 H1 MET 1 HT1 MET 1 -6.094 25.349 3.368
2 H2 MET 1 HT2 MET 1 -5.080 25.072 2.051
3 H3 MET 1 HT3 MET 1 -4.597 24.593 3.596
4 HA MET 1 HA MET 1 -6.873 23.507 2.054
5 HB2 MET 1 HB2 MET 1 -4.210 22.213 2.827
6 HB3 MET 1 HB1 MET 1 -5.526 21.405 1.984
7 HG2 MET 1 HG2 MET 1 -3.764 21.962 0.426
8 HG3 MET 1 HG1 MET 1 -5.191 22.932 0.050
9 HE1 MET 1 HE1 MET 1 -3.560 24.541 -1.478
10 HE2 MET 1 HE2 MET 1 -2.204 23.504 -1.030
11 HE3 MET 1 HE3 MET 1 -2.081 25.253 -0.835
12 H GLY 2 HN GLY 2 -8.174 21.967 3.181
13 HA2 GLY 2 HA2 GLY 2 -8.306 21.712 5.962
14 HA3 GLY 2 HA1 GLY 2 -8.871 20.506 4.814
15 H SER 3 HN SER 3 -7.824 19.478 7.165
16 HA SER 3 HA SER 3 -4.960 19.415 7.224
17 HB2 SER 3 HB2 SER 3 -6.984 17.831 8.880
18 HB3 SER 3 HB1 SER 3 -5.251 17.947 9.203
19 HG SER 3 HG SER 3 -5.477 20.035 9.744
20 H HIS 4 HN HIS 4 -4.542 18.584 5.279
21 HA HIS 4 HA HIS 4 -4.507 15.636 4.991
22 HB2 HIS 4 HB2 HIS 4 -3.575 17.832 3.090
23 HB3 HIS 4 HB1 HIS 4 -3.348 16.112 2.781
24 HD1 HIS 4 HD1 HIS 4 -6.205 18.547 3.383
25 HD2 HIS 4 HD2 HIS 4 -5.453 14.925 1.498
26 HE1 HIS 4 HE1 HIS 4 -8.323 17.955 2.214
27 HE2 HIS 4 HE2 HIS 4 -7.906 15.685 1.218
28 H LYS 5 HN LYS 5 -3.277 15.235 6.754
29 HA LYS 5 HA LYS 5 -0.394 15.932 6.697
30 HB2 LYS 5 HB2 LYS 5 -1.484 16.750 8.732
31 HB3 LYS 5 HB1 LYS 5 -2.270 15.200 8.989
32 HG2 LYS 5 HG2 LYS 5 0.035 14.198 9.363
33 HG3 LYS 5 HG1 LYS 5 0.683 15.835 9.294
34 HD2 LYS 5 HD2 LYS 5 0.387 15.140 11.629
35 HD3 LYS 5 HD1 LYS 5 -0.706 16.472 11.244
36 HE2 LYS 5 HE2 LYS 5 -2.573 14.875 10.976
37 HE3 LYS 5 HE1 LYS 5 -1.484 13.533 11.341
38 HZ1 LYS 5 HZ1 LYS 5 -1.136 14.484 13.522
39 HZ2 LYS 5 HZ2 LYS 5 -2.769 14.168 13.250
40 HZ3 LYS 5 HZ3 LYS 5 -2.197 15.752 13.161
41 H CYS 6 HN CYS 6 1.056 14.198 6.571
42 HA CYS 6 HA CYS 6 0.098 11.471 6.420
43 HB2 CYS 6 HB2 CYS 6 1.961 12.188 5.003
44 HB3 CYS 6 HB1 CYS 6 2.876 12.706 6.403
45 H ASN 7 HN ASN 7 -0.461 10.506 8.323
46 HA ASN 7 HA ASN 7 0.330 11.413 10.899
47 HB2 ASN 7 HB2 ASN 7 -1.809 10.135 10.209
48 HB3 ASN 7 HB1 ASN 7 -0.845 8.671 10.253
49 HD21 ASN 7 HD21 ASN 7 0.623 9.282 12.725
50 HD22 ASN 7 HD22 ASN 7 -0.519 9.232 14.005
51 H VAL 8 HN VAL 8 1.529 8.886 8.762
52 HA VAL 8 HA VAL 8 3.061 7.315 10.505
53 HB VAL 8 HB VAL 8 3.746 7.920 7.582
54 HG11 VAL 8 HG11 VAL 8 5.552 6.731 8.753
55 HG12 VAL 8 HG12 VAL 8 4.784 5.678 7.564
56 HG13 VAL 8 HG13 VAL 8 4.418 5.486 9.283
57 HG21 VAL 8 HG21 VAL 8 1.399 7.235 7.789
58 HG22 VAL 8 HG22 VAL 8 1.869 5.794 8.693
59 HG23 VAL 8 HG23 VAL 8 2.348 5.975 7.005
60 H CYS 9 HN CYS 9 3.991 10.177 8.646
61 HA CYS 9 HA CYS 9 6.649 10.385 9.864
62 HB2 CYS 9 HB2 CYS 9 5.148 12.188 7.930
63 HB3 CYS 9 HB1 CYS 9 6.790 12.476 8.477
64 H SER 10 HN SER 10 3.498 11.737 10.204
65 HA SER 10 HA SER 10 2.413 13.119 11.588
66 HB2 SER 10 HB2 SER 10 5.033 13.424 13.110
67 HB3 SER 10 HB1 SER 10 3.487 14.089 13.637
68 HG SER 10 HG SER 10 3.638 11.350 13.011
69 H ARG 11 HN ARG 11 4.302 13.862 9.257
70 HA ARG 11 HA ARG 11 4.241 16.814 9.542
71 HB2 ARG 11 HB2 ARG 11 5.985 15.042 7.779
72 HB3 ARG 11 HB1 ARG 11 5.959 16.800 7.688
73 HG2 ARG 11 HG2 ARG 11 6.868 15.142 10.074
74 HG3 ARG 11 HG1 ARG 11 7.902 16.026 8.946
75 HD2 ARG 11 HD2 ARG 11 6.783 18.155 9.678
76 HD3 ARG 11 HD1 ARG 11 5.920 17.232 10.917
77 HE ARG 11 HE ARG 11 8.867 17.172 10.837
78 HH11 ARG 11 HH11 ARG 11 5.972 18.088 12.579
79 HH12 ARG 11 HH12 ARG 11 6.843 18.591 13.988
80 HH21 ARG 11 HH21 ARG 11 9.986 17.851 12.689
81 HH22 ARG 11 HH22 ARG 11 9.098 18.459 14.052
82 H THR 12 HN THR 12 4.359 17.590 6.951
83 HA THR 12 HA THR 12 1.989 16.517 5.581
84 HB THR 12 HB THR 12 1.071 18.215 7.145
85 HG1 THR 12 HG1 THR 12 -0.230 18.403 5.504
86 HG21 THR 12 HG21 THR 12 1.583 20.614 6.878
87 HG22 THR 12 HG22 THR 12 2.813 20.232 5.670
88 HG23 THR 12 HG23 THR 12 3.031 19.721 7.344
89 H PHE 13 HN PHE 13 1.671 17.692 3.454
90 HA PHE 13 HA PHE 13 4.239 18.538 2.219
91 HB2 PHE 13 HB2 PHE 13 2.813 16.373 1.490
92 HB3 PHE 13 HB1 PHE 13 1.864 17.554 0.615
93 HD1 PHE 13 HD1 PHE 13 2.845 18.749 -1.336
94 HD2 PHE 13 HD2 PHE 13 5.093 15.811 0.804
95 HE1 PHE 13 HE1 PHE 13 4.427 18.581 -3.207
96 HE2 PHE 13 HE2 PHE 13 6.667 15.652 -1.079
97 HZ PHE 13 HZ PHE 13 6.334 17.028 -3.087
98 H PHE 14 HN PHE 14 4.193 20.375 0.792
99 HA PHE 14 HA PHE 14 2.578 22.548 1.462
100 HB2 PHE 14 HB2 PHE 14 4.818 22.789 0.476
101 HB3 PHE 14 HB1 PHE 14 4.274 22.060 -1.032
102 HD1 PHE 14 HD1 PHE 14 3.570 24.995 1.217
103 HD2 PHE 14 HD2 PHE 14 3.566 23.491 -2.792
104 HE1 PHE 14 HE1 PHE 14 3.004 27.237 0.367
105 HE2 PHE 14 HE2 PHE 14 3.013 25.737 -3.628
106 HZ PHE 14 HZ PHE 14 2.728 27.611 -2.051
107 H SER 15 HN SER 15 2.228 20.180 -1.146
108 HA SER 15 HA SER 15 -0.415 21.297 -1.881
109 HB2 SER 15 HB2 SER 15 -0.216 19.771 -3.892
110 HB3 SER 15 HB1 SER 15 1.019 21.027 -3.833
111 HG SER 15 HG SER 15 2.520 19.579 -3.438
112 H GLU 16 HN GLU 16 -2.241 20.018 -1.570
113 HA GLU 16 HA GLU 16 -2.003 18.007 0.505
114 HB2 GLU 16 HB2 GLU 16 -4.462 17.971 0.489
115 HB3 GLU 16 HB1 GLU 16 -3.849 19.613 0.613
116 HG2 GLU 16 HG2 GLU 16 -4.434 20.103 -1.668
117 HG3 GLU 16 HG1 GLU 16 -4.768 18.405 -2.014
118 H ASN 17 HN ASN 17 -2.426 18.035 -2.974
119 HA ASN 17 HA ASN 17 -3.221 15.260 -3.240
120 HB2 ASN 17 HB2 ASN 17 -2.201 17.272 -5.289
121 HB3 ASN 17 HB1 ASN 17 -2.705 15.636 -5.699
122 HD21 ASN 17 HD21 ASN 17 -4.301 16.434 -7.084
123 HD22 ASN 17 HD22 ASN 17 -5.759 17.158 -6.500
124 H GLY 18 HN GLY 18 -0.287 17.188 -3.356
125 HA2 GLY 18 HA2 GLY 18 1.616 15.210 -4.071
126 HA3 GLY 18 HA1 GLY 18 1.943 16.687 -3.173
127 H LEU 19 HN LEU 19 0.194 16.147 -0.969
128 HA LEU 19 HA LEU 19 1.682 14.476 0.739
129 HB2 LEU 19 HB2 LEU 19 0.134 16.397 1.349
130 HB3 LEU 19 HB1 LEU 19 -1.216 15.338 1.074
131 HG LEU 19 HG LEU 19 -0.476 15.748 3.517
132 HD11 LEU 19 HD11 LEU 19 -2.093 14.021 2.967
133 HD12 LEU 19 HD12 LEU 19 -1.036 13.504 4.274
134 HD13 LEU 19 HD13 LEU 19 -0.794 12.871 2.645
135 HD21 LEU 19 HD21 LEU 19 1.309 14.346 4.421
136 HD22 LEU 19 HD22 LEU 19 1.941 15.471 3.225
137 HD23 LEU 19 HD23 LEU 19 1.716 13.770 2.802
138 H ARG 20 HN ARG 20 -1.358 13.966 -1.002
139 HA ARG 20 HA ARG 20 -1.922 11.303 -0.219
140 HB2 ARG 20 HB2 ARG 20 -2.578 12.803 -2.799
141 HB3 ARG 20 HB1 ARG 20 -3.281 11.250 -2.357
142 HG2 ARG 20 HG2 ARG 20 -3.603 13.814 -0.762
143 HG3 ARG 20 HG1 ARG 20 -4.778 13.167 -1.902
144 HD2 ARG 20 HD2 ARG 20 -3.883 11.943 0.725
145 HD3 ARG 20 HD1 ARG 20 -5.494 12.538 0.300
146 HE ARG 20 HE ARG 20 -4.749 10.482 -1.485
147 HH11 ARG 20 HH11 ARG 20 -5.761 10.849 1.867
148 HH12 ARG 20 HH12 ARG 20 -6.381 9.232 1.958
149 HH21 ARG 20 HH21 ARG 20 -5.553 8.395 -1.319
150 HH22 ARG 20 HH22 ARG 20 -6.265 7.851 0.168
151 H GLU 21 HN GLU 21 0.162 12.558 -2.808
152 HA GLU 21 HA GLU 21 0.768 10.044 -4.001
153 HB2 GLU 21 HB2 GLU 21 0.993 12.239 -5.171
154 HB3 GLU 21 HB1 GLU 21 2.297 12.677 -4.072
155 HG2 GLU 21 HG2 GLU 21 3.673 10.822 -4.958
156 HG3 GLU 21 HG1 GLU 21 2.368 10.371 -6.056
157 H HIS 22 HN HIS 22 2.236 12.085 -1.551
158 HA HIS 22 HA HIS 22 4.541 10.556 -0.947
159 HB2 HIS 22 HB2 HIS 22 4.497 12.879 -0.305
160 HB3 HIS 22 HB1 HIS 22 2.987 12.695 0.572
161 HD1 HIS 22 HD1 HIS 22 6.683 12.010 0.914
162 HD2 HIS 22 HD2 HIS 22 3.187 11.776 3.140
163 HE1 HIS 22 HE1 HIS 22 7.375 11.422 3.277
164 H LEU 23 HN LEU 23 1.187 10.339 0.080
165 HA LEU 23 HA LEU 23 1.420 8.808 2.410
166 HB2 LEU 23 HB2 LEU 23 -0.774 9.343 0.444
167 HB3 LEU 23 HB1 LEU 23 -1.035 8.072 1.607
168 HG LEU 23 HG LEU 23 -0.448 10.971 2.271
169 HD11 LEU 23 HD11 LEU 23 -2.762 11.032 3.130
170 HD12 LEU 23 HD12 LEU 23 -3.011 9.371 2.587
171 HD13 LEU 23 HD13 LEU 23 -2.725 10.652 1.408
172 HD21 LEU 23 HD21 LEU 23 -0.883 10.360 4.618
173 HD22 LEU 23 HD22 LEU 23 0.527 9.523 3.979
174 HD23 LEU 23 HD23 LEU 23 -1.003 8.661 4.155
175 H GLN 24 HN GLN 24 1.738 7.887 -0.899
176 HA GLN 24 HA GLN 24 1.021 5.114 -0.630
177 HB2 GLN 24 HB2 GLN 24 2.402 6.554 -2.926
178 HB3 GLN 24 HB1 GLN 24 1.568 5.003 -3.000
179 HG2 GLN 24 HG2 GLN 24 -0.582 6.094 -2.553
180 HG3 GLN 24 HG1 GLN 24 0.228 7.648 -2.344
181 HE21 GLN 24 HE21 GLN 24 -0.912 8.660 -3.964
182 HE22 GLN 24 HE22 GLN 24 -0.715 8.293 -5.642
183 H THR 25 HN THR 25 3.872 6.944 -0.023
184 HA THR 25 HA THR 25 5.839 4.899 -0.516
185 HB THR 25 HB THR 25 7.419 6.394 0.606
186 HG1 THR 25 HG1 THR 25 5.919 8.500 1.238
187 HG21 THR 25 HG21 THR 25 6.794 7.026 -1.695
188 HG22 THR 25 HG22 THR 25 7.150 8.457 -0.724
189 HG23 THR 25 HG23 THR 25 5.476 8.017 -1.065
190 H HIS 26 HN HIS 26 3.442 5.195 1.825
191 HA HIS 26 HA HIS 26 4.887 3.432 3.747
192 HB2 HIS 26 HB2 HIS 26 2.519 5.240 4.397
193 HB3 HIS 26 HB1 HIS 26 3.542 4.365 5.536
194 HD1 HIS 26 HD1 HIS 26 6.163 5.279 5.565
195 HD2 HIS 26 HD2 HIS 26 3.258 7.769 3.962
196 HE1 HIS 26 HE1 HIS 26 7.131 7.605 5.586
197 H ARG 27 HN ARG 27 2.633 3.400 1.354
198 HA ARG 27 HA ARG 27 0.338 2.145 2.314
199 HB2 ARG 27 HB2 ARG 27 0.540 3.171 0.092
200 HB3 ARG 27 HB1 ARG 27 1.686 1.936 -0.406
201 HG2 ARG 27 HG2 ARG 27 -0.083 0.226 -0.299
202 HG3 ARG 27 HG1 ARG 27 -1.238 1.436 0.269
203 HD2 ARG 27 HD2 ARG 27 -1.467 0.959 -2.167
204 HD3 ARG 27 HD1 ARG 27 -1.070 2.653 -1.851
205 HE ARG 27 HE ARG 27 1.092 0.769 -2.477
206 HH11 ARG 27 HH11 ARG 27 -0.825 3.490 -3.535
207 HH12 ARG 27 HH12 ARG 27 0.233 3.884 -4.849
208 HH21 ARG 27 HH21 ARG 27 2.509 1.321 -4.170
209 HH22 ARG 27 HH22 ARG 27 2.132 2.659 -5.204
210 H GLY 28 HN GLY 28 3.390 0.738 1.236
211 HA2 GLY 28 HA2 GLY 28 3.790 -1.300 2.872
212 HA3 GLY 28 HA1 GLY 28 2.564 -2.002 1.820
213 HA PRO 29 HA PRO 29 6.572 -3.138 -0.294
214 HB2 PRO 29 HB2 PRO 29 4.699 -5.249 -1.333
215 HB3 PRO 29 HB1 PRO 29 6.345 -5.422 -0.705
216 HG2 PRO 29 HG2 PRO 29 4.242 -6.200 0.758
217 HG3 PRO 29 HG1 PRO 29 5.633 -5.400 1.525
218 HD2 PRO 29 HD2 PRO 29 2.937 -4.238 0.807
219 HD3 PRO 29 HD1 PRO 29 3.919 -3.989 2.270
220 H ALA 30 HN ALA 30 7.072 -2.559 -2.442
221 HA ALA 30 HA ALA 30 4.871 -1.280 -3.979
222 HB1 ALA 30 HB1 ALA 30 7.756 -0.373 -3.794
223 HB2 ALA 30 HB2 ALA 30 6.404 0.358 -2.933
224 HB3 ALA 30 HB3 ALA 30 6.467 0.430 -4.697
225 H LYS 31 HN LYS 31 7.181 -3.771 -4.112
226 HA LYS 31 HA LYS 31 7.560 -3.649 -7.023
227 HB2 LYS 31 HB2 LYS 31 8.626 -5.614 -4.947
228 HB3 LYS 31 HB1 LYS 31 8.904 -5.772 -6.671
229 HG2 LYS 31 HG2 LYS 31 10.888 -4.837 -5.765
230 HG3 LYS 31 HG1 LYS 31 10.064 -3.522 -6.608
231 HD2 LYS 31 HD2 LYS 31 9.230 -2.650 -4.459
232 HD3 LYS 31 HD1 LYS 31 9.993 -3.995 -3.604
233 HE2 LYS 31 HE2 LYS 31 12.219 -3.196 -4.307
234 HE3 LYS 31 HE1 LYS 31 11.467 -1.877 -5.209
235 HZ1 LYS 31 HZ1 LYS 31 12.296 -1.187 -3.034
236 HZ2 LYS 31 HZ2 LYS 31 11.233 -2.263 -2.281
237 HZ3 LYS 31 HZ3 LYS 31 10.628 -0.968 -3.180
238 H HIS 32 HN HIS 32 5.740 -4.221 -8.061
239 HA HIS 32 HA HIS 32 4.714 -6.902 -7.762
240 HB2 HIS 32 HB2 HIS 32 2.327 -6.246 -7.523
241 HB3 HIS 32 HB1 HIS 32 3.275 -5.756 -6.133
242 HD1 HIS 32 HD1 HIS 32 0.943 -4.471 -8.627
243 HD2 HIS 32 HD2 HIS 32 3.845 -2.856 -6.134
244 HE1 HIS 32 HE1 HIS 32 0.493 -2.009 -8.581
245 HE2 HIS 32 HE2 HIS 32 2.268 -1.051 -7.083
246 H TYR 33 HN TYR 33 5.211 -7.427 -9.817
247 HA TYR 33 HA TYR 33 4.863 -5.637 -12.045
248 HB2 TYR 33 HB2 TYR 33 6.620 -7.562 -11.795
249 HB3 TYR 33 HB1 TYR 33 5.325 -8.640 -12.277
250 HD1 TYR 33 HD2 TYR 33 4.141 -8.110 -14.611
251 HD2 TYR 33 HD1 TYR 33 7.929 -6.482 -13.477
252 HE1 TYR 33 HE2 TYR 33 4.669 -7.689 -16.969
253 HE2 TYR 33 HE1 TYR 33 8.436 -6.056 -15.841
254 HH TYR 33 HH TYR 33 6.095 -6.234 -18.292
255 H MET 34 HN MET 34 3.153 -5.599 -13.487
256 HA MET 34 HA MET 34 0.705 -7.067 -12.737
257 HB2 MET 34 HB2 MET 34 0.479 -4.615 -12.979
258 HB3 MET 34 HB1 MET 34 1.139 -4.686 -14.605
259 HG2 MET 34 HG2 MET 34 -0.822 -6.005 -15.351
260 HG3 MET 34 HG1 MET 34 -1.489 -5.924 -13.720
261 HE1 MET 34 HE1 MET 34 -0.952 -2.188 -16.405
262 HE2 MET 34 HE2 MET 34 -0.448 -3.808 -16.893
263 HE3 MET 34 HE3 MET 34 0.402 -2.974 -15.593
264 H CYS 35 HN CYS 35 0.376 -8.905 -13.802
265 HA CYS 35 HA CYS 35 2.104 -9.889 -15.771
266 HB2 CYS 35 HB2 CYS 35 0.686 -11.227 -14.171
267 HB3 CYS 35 HB1 CYS 35 -0.685 -10.903 -15.201
268 HA PRO 36 HA PRO 36 0.591 -7.864 -19.562
269 HB2 PRO 36 HB2 PRO 36 1.604 -10.469 -20.735
270 HB3 PRO 36 HB1 PRO 36 1.849 -8.807 -21.302
271 HG2 PRO 36 HG2 PRO 36 3.799 -10.006 -19.963
272 HG3 PRO 36 HG1 PRO 36 3.405 -8.311 -19.597
273 HD2 PRO 36 HD2 PRO 36 2.721 -10.799 -18.043
274 HD3 PRO 36 HD1 PRO 36 3.194 -9.191 -17.447
275 H ILE 37 HN ILE 37 -0.155 -11.425 -19.306
276 HA ILE 37 HA ILE 37 -2.529 -11.133 -20.939
277 HB ILE 37 HB ILE 37 -1.460 -13.525 -19.362
278 HG12 ILE 37 HG12 ILE 37 -1.197 -12.905 -22.348
279 HG13 ILE 37 HG11 ILE 37 0.095 -12.740 -21.166
280 HG21 ILE 37 HG21 ILE 37 -3.855 -13.786 -19.799
281 HG22 ILE 37 HG22 ILE 37 -2.944 -14.918 -20.792
282 HG23 ILE 37 HG23 ILE 37 -3.624 -13.452 -21.508
283 HD11 ILE 37 HD11 ILE 37 0.035 -15.161 -20.766
284 HD12 ILE 37 HD12 ILE 37 0.330 -14.769 -22.462
285 HD13 ILE 37 HD13 ILE 37 -1.263 -15.317 -21.955
286 H CYS 38 HN CYS 38 -1.961 -12.139 -17.490
287 HA CYS 38 HA CYS 38 -4.881 -12.035 -17.085
288 HB2 CYS 38 HB2 CYS 38 -4.688 -13.801 -15.544
289 HB3 CYS 38 HB1 CYS 38 -3.642 -14.237 -16.877
290 H GLY 39 HN GLY 39 -2.143 -10.282 -16.119
291 HA2 GLY 39 HA2 GLY 39 -1.854 -8.527 -14.762
292 HA3 GLY 39 HA1 GLY 39 -3.603 -8.398 -14.695
293 H GLU 40 HN GLU 40 -2.150 -11.285 -13.437
294 HA GLU 40 HA GLU 40 -2.700 -10.829 -10.717
295 HB2 GLU 40 HB2 GLU 40 -0.819 -12.817 -12.049
296 HB3 GLU 40 HB1 GLU 40 -1.280 -12.876 -10.355
297 HG2 GLU 40 HG2 GLU 40 -3.275 -13.055 -12.631
298 HG3 GLU 40 HG1 GLU 40 -2.528 -14.453 -11.868
299 H ARG 41 HN ARG 41 -1.283 -10.463 -8.942
300 HA ARG 41 HA ARG 41 0.928 -8.607 -9.509
301 HB2 ARG 41 HB2 ARG 41 -0.259 -9.329 -6.788
302 HB3 ARG 41 HB1 ARG 41 0.679 -7.895 -7.205
303 HG2 ARG 41 HG2 ARG 41 -1.166 -6.957 -8.437
304 HG3 ARG 41 HG1 ARG 41 -2.078 -8.465 -8.333
305 HD2 ARG 41 HD2 ARG 41 -2.011 -8.157 -5.783
306 HD3 ARG 41 HD1 ARG 41 -1.435 -6.520 -6.105
307 HE ARG 41 HE ARG 41 -3.530 -6.118 -7.299
308 HH11 ARG 41 HH11 ARG 41 -3.498 -8.857 -5.098
309 HH12 ARG 41 HH12 ARG 41 -5.207 -8.796 -4.795
310 HH21 ARG 41 HH21 ARG 41 -5.780 -6.046 -6.924
311 HH22 ARG 41 HH22 ARG 41 -6.503 -7.210 -5.856
312 H PHE 42 HN PHE 42 3.009 -9.358 -9.400
313 HA PHE 42 HA PHE 42 3.668 -11.551 -7.507
314 HB2 PHE 42 HB2 PHE 42 4.742 -11.064 -10.315
315 HB3 PHE 42 HB1 PHE 42 5.609 -12.054 -9.147
316 HD1 PHE 42 HD1 PHE 42 2.272 -11.780 -10.846
317 HD2 PHE 42 HD2 PHE 42 5.046 -14.337 -8.833
318 HE1 PHE 42 HE1 PHE 42 0.853 -13.725 -11.344
319 HE2 PHE 42 HE2 PHE 42 3.627 -16.274 -9.350
320 HZ PHE 42 HZ PHE 42 1.528 -15.971 -10.601
321 HA PRO 43 HA PRO 43 6.088 -8.566 -5.378
322 HB2 PRO 43 HB2 PRO 43 7.908 -10.143 -4.059
323 HB3 PRO 43 HB1 PRO 43 6.182 -10.137 -3.663
324 HG2 PRO 43 HG2 PRO 43 7.708 -12.062 -5.426
325 HG3 PRO 43 HG1 PRO 43 6.564 -12.417 -4.110
326 HD2 PRO 43 HD2 PRO 43 5.775 -12.471 -6.685
327 HD3 PRO 43 HD1 PRO 43 4.693 -11.862 -5.410
328 H SER 44 HN SER 44 7.479 -10.246 -7.971
329 HA SER 44 HA SER 44 9.535 -8.210 -8.253
330 HB2 SER 44 HB2 SER 44 11.333 -9.950 -8.687
331 HB3 SER 44 HB1 SER 44 10.804 -9.859 -7.013
332 HG SER 44 HG SER 44 10.839 -11.989 -7.494
333 H LEU 45 HN LEU 45 10.543 -8.273 -10.297
334 HA LEU 45 HA LEU 45 8.930 -9.281 -12.526
335 HB2 LEU 45 HB2 LEU 45 10.822 -7.969 -13.842
336 HB3 LEU 45 HB1 LEU 45 9.524 -7.108 -13.047
337 HG LEU 45 HG LEU 45 11.066 -6.669 -11.109
338 HD11 LEU 45 HD11 LEU 45 13.253 -7.742 -12.900
339 HD12 LEU 45 HD12 LEU 45 12.699 -8.447 -11.381
340 HD13 LEU 45 HD13 LEU 45 13.497 -6.876 -11.380
341 HD21 LEU 45 HD21 LEU 45 12.307 -4.853 -12.190
342 HD22 LEU 45 HD22 LEU 45 10.657 -4.948 -12.796
343 HD23 LEU 45 HD23 LEU 45 11.993 -5.564 -13.775
344 H LEU 46 HN LEU 46 9.857 -11.354 -11.158
345 HA LEU 46 HA LEU 46 11.990 -12.635 -12.672
346 HB2 LEU 46 HB2 LEU 46 12.141 -12.248 -9.645
347 HB3 LEU 46 HB1 LEU 46 13.168 -13.342 -10.557
348 HG LEU 46 HG LEU 46 13.164 -10.306 -10.842
349 HD11 LEU 46 HD11 LEU 46 15.205 -12.109 -9.501
350 HD12 LEU 46 HD12 LEU 46 14.114 -10.990 -8.684
351 HD13 LEU 46 HD13 LEU 46 15.370 -10.369 -9.750
352 HD21 LEU 46 HD21 LEU 46 15.166 -10.618 -12.244
353 HD22 LEU 46 HD22 LEU 46 13.768 -11.410 -12.962
354 HD23 LEU 46 HD23 LEU 46 14.995 -12.371 -12.132
355 H THR 47 HN THR 47 9.994 -12.899 -9.699
356 HA THR 47 HA THR 47 9.103 -15.543 -10.014
357 HB THR 47 HB THR 47 7.087 -14.775 -8.620
358 HG1 THR 47 HG1 THR 47 8.276 -12.366 -8.014
359 HG21 THR 47 HG21 THR 47 8.392 -14.336 -6.581
360 HG22 THR 47 HG22 THR 47 9.823 -13.994 -7.555
361 HG23 THR 47 HG23 THR 47 9.141 -15.622 -7.533
362 H LEU 48 HN LEU 48 7.817 -12.475 -11.287
363 HA LEU 48 HA LEU 48 5.568 -13.528 -12.644
364 HB2 LEU 48 HB2 LEU 48 6.026 -11.085 -12.078
365 HB3 LEU 48 HB1 LEU 48 7.174 -11.045 -13.395
366 HG LEU 48 HG LEU 48 4.894 -10.012 -13.865
367 HD11 LEU 48 HD11 LEU 48 5.688 -12.195 -15.797
368 HD12 LEU 48 HD12 LEU 48 6.354 -10.563 -15.734
369 HD13 LEU 48 HD13 LEU 48 4.660 -10.804 -16.157
370 HD21 LEU 48 HD21 LEU 48 2.996 -11.435 -14.392
371 HD22 LEU 48 HD22 LEU 48 3.492 -11.647 -12.715
372 HD23 LEU 48 HD23 LEU 48 3.909 -12.870 -13.918
373 H THR 49 HN THR 49 8.972 -13.170 -13.556
374 HA THR 49 HA THR 49 8.759 -13.743 -16.314
375 HB THR 49 HB THR 49 11.153 -14.224 -14.492
376 HG1 THR 49 HG1 THR 49 10.731 -11.890 -16.035
377 HG21 THR 49 HG21 THR 49 11.046 -13.697 -17.491
378 HG22 THR 49 HG22 THR 49 11.449 -15.236 -16.729
379 HG23 THR 49 HG23 THR 49 12.515 -13.846 -16.525
380 H GLU 50 HN GLU 50 9.392 -15.780 -13.516
381 HA GLU 50 HA GLU 50 9.551 -18.295 -14.807
382 HB2 GLU 50 HB2 GLU 50 8.662 -17.638 -11.969
383 HB3 GLU 50 HB1 GLU 50 9.045 -19.259 -12.547
384 HG2 GLU 50 HG2 GLU 50 11.373 -18.614 -12.937
385 HG3 GLU 50 HG1 GLU 50 11.013 -16.948 -12.490
386 H HIS 51 HN HIS 51 6.797 -16.503 -13.472
387 HA HIS 51 HA HIS 51 4.796 -18.487 -13.746
388 HB2 HIS 51 HB2 HIS 51 4.297 -16.772 -12.208
389 HB3 HIS 51 HB1 HIS 51 4.792 -15.497 -13.309
390 HD1 HIS 51 HD1 HIS 51 1.881 -17.967 -12.931
391 HD2 HIS 51 HD2 HIS 51 2.754 -14.230 -14.508
392 HE1 HIS 51 HE1 HIS 51 -0.325 -16.979 -13.683
393 H LYS 52 HN LYS 52 5.780 -15.858 -15.910
394 HA LYS 52 HA LYS 52 3.540 -15.967 -17.615
395 HB2 LYS 52 HB2 LYS 52 4.699 -14.375 -19.033
396 HB3 LYS 52 HB1 LYS 52 4.952 -13.954 -17.346
397 HG2 LYS 52 HG2 LYS 52 7.213 -15.156 -17.541
398 HG3 LYS 52 HG1 LYS 52 6.941 -15.149 -19.285
399 HD2 LYS 52 HD2 LYS 52 7.145 -12.707 -17.467
400 HD3 LYS 52 HD1 LYS 52 8.352 -13.242 -18.635
401 HE2 LYS 52 HE2 LYS 52 5.562 -12.239 -19.313
402 HE3 LYS 52 HE1 LYS 52 7.049 -11.306 -19.462
403 HZ1 LYS 52 HZ1 LYS 52 7.826 -12.946 -21.073
404 HZ2 LYS 52 HZ2 LYS 52 6.403 -12.189 -21.570
405 HZ3 LYS 52 HZ3 LYS 52 6.350 -13.762 -20.962
406 H VAL 53 HN VAL 53 6.666 -17.652 -17.792
407 HA VAL 53 HA VAL 53 6.264 -18.631 -20.466
408 HB VAL 53 HB VAL 53 8.236 -20.017 -20.100
409 HG11 VAL 53 HG11 VAL 53 8.638 -17.219 -18.973
410 HG12 VAL 53 HG12 VAL 53 8.594 -17.659 -20.682
411 HG13 VAL 53 HG13 VAL 53 9.905 -18.246 -19.659
412 HG21 VAL 53 HG21 VAL 53 8.175 -19.119 -17.189
413 HG22 VAL 53 HG22 VAL 53 9.475 -20.047 -17.943
414 HG23 VAL 53 HG23 VAL 53 7.870 -20.756 -17.779
415 H THR 54 HN THR 54 5.444 -19.787 -17.260
416 HA THR 54 HA THR 54 4.516 -22.404 -18.258
417 HB THR 54 HB THR 54 6.106 -22.430 -16.346
418 HG1 THR 54 HG1 THR 54 4.567 -24.122 -16.570
419 HG21 THR 54 HG21 THR 54 5.394 -20.348 -15.236
420 HG22 THR 54 HG22 THR 54 5.378 -21.712 -14.121
421 HG23 THR 54 HG23 THR 54 3.867 -21.107 -14.796
422 H HIS 55 HN HIS 55 2.899 -20.282 -19.070
423 HA HIS 55 HA HIS 55 1.250 -19.189 -17.003
424 HB2 HIS 55 HB2 HIS 55 1.961 -18.149 -19.371
425 HB3 HIS 55 HB1 HIS 55 0.473 -18.906 -19.926
426 HD1 HIS 55 HD1 HIS 55 -1.792 -17.870 -18.984
427 HD2 HIS 55 HD2 HIS 55 1.676 -16.024 -17.667
428 HE1 HIS 55 HE1 HIS 55 -2.511 -15.760 -17.782
Start of MODEL 20
1 H1 MET 1 HT1 MET 1 -4.964 25.620 1.397
2 H2 MET 1 HT2 MET 1 -6.223 25.965 0.335
3 H3 MET 1 HT3 MET 1 -4.640 26.348 -0.101
4 HA MET 1 HA MET 1 -5.701 23.614 0.335
5 HB2 MET 1 HB2 MET 1 -4.884 25.003 -2.260
6 HB3 MET 1 HB1 MET 1 -5.392 23.324 -2.119
7 HG2 MET 1 HG2 MET 1 -7.610 24.092 -1.323
8 HG3 MET 1 HG1 MET 1 -7.107 25.761 -1.609
9 HE1 MET 1 HE1 MET 1 -6.279 26.573 -4.103
10 HE2 MET 1 HE2 MET 1 -6.537 25.618 -5.564
11 HE3 MET 1 HE3 MET 1 -5.310 25.128 -4.395
12 H GLY 2 HN GLY 2 -4.058 22.087 -0.991
13 HA2 GLY 2 HA2 GLY 2 -1.978 21.189 -1.269
14 HA3 GLY 2 HA1 GLY 2 -1.321 22.816 -1.155
15 H SER 3 HN SER 3 -3.187 21.027 1.313
16 HA SER 3 HA SER 3 -0.876 20.376 2.887
17 HB2 SER 3 HB2 SER 3 -1.182 22.815 3.415
18 HB3 SER 3 HB1 SER 3 -2.808 22.473 3.999
19 HG SER 3 HG SER 3 -0.425 21.315 5.030
20 H HIS 4 HN HIS 4 -1.609 18.203 3.140
21 HA HIS 4 HA HIS 4 -3.915 17.913 4.951
22 HB2 HIS 4 HB2 HIS 4 -4.436 16.979 2.703
23 HB3 HIS 4 HB1 HIS 4 -2.945 16.044 2.727
24 HD1 HIS 4 HD1 HIS 4 -6.224 16.276 4.664
25 HD2 HIS 4 HD2 HIS 4 -3.273 13.516 3.718
26 HE1 HIS 4 HE1 HIS 4 -7.038 14.083 5.562
27 HE2 HIS 4 HE2 HIS 4 -5.324 12.411 4.814
28 H LYS 5 HN LYS 5 -3.530 15.938 6.434
29 HA LYS 5 HA LYS 5 -0.743 15.977 7.361
30 HB2 LYS 5 HB2 LYS 5 -2.489 16.383 9.054
31 HB3 LYS 5 HB1 LYS 5 -3.277 14.866 8.648
32 HG2 LYS 5 HG2 LYS 5 -1.193 13.656 9.420
33 HG3 LYS 5 HG1 LYS 5 -0.566 15.208 9.980
34 HD2 LYS 5 HD2 LYS 5 -3.130 13.878 10.957
35 HD3 LYS 5 HD1 LYS 5 -1.593 13.878 11.819
36 HE2 LYS 5 HE2 LYS 5 -1.712 16.344 12.007
37 HE3 LYS 5 HE1 LYS 5 -3.269 16.335 11.175
38 HZ1 LYS 5 HZ1 LYS 5 -2.691 14.995 13.764
39 HZ2 LYS 5 HZ2 LYS 5 -4.190 15.042 12.991
40 HZ3 LYS 5 HZ3 LYS 5 -3.506 16.464 13.582
41 H CYS 6 HN CYS 6 0.634 14.314 6.834
42 HA CYS 6 HA CYS 6 -0.400 11.745 5.912
43 HB2 CYS 6 HB2 CYS 6 1.567 12.619 4.771
44 HB3 CYS 6 HB1 CYS 6 2.448 12.754 6.285
45 H ASN 7 HN ASN 7 -1.456 11.042 7.781
46 HA ASN 7 HA ASN 7 -1.433 10.914 10.284
47 HB2 ASN 7 HB2 ASN 7 -2.638 9.237 9.004
48 HB3 ASN 7 HB1 ASN 7 -1.158 8.346 8.679
49 HD21 ASN 7 HD21 ASN 7 -3.531 9.179 11.137
50 HD22 ASN 7 HD22 ASN 7 -3.120 7.906 12.237
51 H VAL 8 HN VAL 8 1.050 8.716 8.944
52 HA VAL 8 HA VAL 8 2.250 8.075 11.412
53 HB VAL 8 HB VAL 8 3.467 7.828 8.621
54 HG11 VAL 8 HG11 VAL 8 4.097 6.284 11.166
55 HG12 VAL 8 HG12 VAL 8 5.145 7.461 10.373
56 HG13 VAL 8 HG13 VAL 8 4.763 5.939 9.566
57 HG21 VAL 8 HG21 VAL 8 1.249 6.776 8.692
58 HG22 VAL 8 HG22 VAL 8 1.711 5.832 10.110
59 HG23 VAL 8 HG23 VAL 8 2.510 5.550 8.561
60 H CYS 9 HN CYS 9 3.492 10.090 8.736
61 HA CYS 9 HA CYS 9 5.754 11.182 9.952
62 HB2 CYS 9 HB2 CYS 9 3.929 12.304 7.796
63 HB3 CYS 9 HB1 CYS 9 5.406 13.120 8.286
64 H SER 10 HN SER 10 2.400 12.294 10.001
65 HA SER 10 HA SER 10 1.200 13.848 11.056
66 HB2 SER 10 HB2 SER 10 3.550 14.026 12.997
67 HB3 SER 10 HB1 SER 10 1.933 14.679 13.287
68 HG SER 10 HG SER 10 1.987 12.005 12.582
69 H ARG 11 HN ARG 11 3.496 14.500 9.056
70 HA ARG 11 HA ARG 11 3.467 17.434 9.315
71 HB2 ARG 11 HB2 ARG 11 5.697 16.316 9.556
72 HB3 ARG 11 HB1 ARG 11 5.498 15.576 7.976
73 HG2 ARG 11 HG2 ARG 11 7.026 17.479 7.928
74 HG3 ARG 11 HG1 ARG 11 5.612 17.729 6.910
75 HD2 ARG 11 HD2 ARG 11 6.142 19.791 8.065
76 HD3 ARG 11 HD1 ARG 11 4.612 19.162 8.673
77 HE ARG 11 HE ARG 11 6.532 18.207 10.411
78 HH11 ARG 11 HH11 ARG 11 5.417 21.386 9.402
79 HH12 ARG 11 HH12 ARG 11 5.896 22.156 10.876
80 HH21 ARG 11 HH21 ARG 11 7.141 19.234 12.341
81 HH22 ARG 11 HH22 ARG 11 6.880 20.935 12.542
82 H THR 12 HN THR 12 3.886 18.270 6.799
83 HA THR 12 HA THR 12 1.820 17.069 5.094
84 HB THR 12 HB THR 12 0.716 18.861 6.458
85 HG1 THR 12 HG1 THR 12 -0.338 18.838 4.635
86 HG21 THR 12 HG21 THR 12 1.268 21.236 6.074
87 HG22 THR 12 HG22 THR 12 2.638 20.760 5.071
88 HG23 THR 12 HG23 THR 12 2.638 20.380 6.792
89 H PHE 13 HN PHE 13 2.018 17.636 2.893
90 HA PHE 13 HA PHE 13 4.577 18.774 1.954
91 HB2 PHE 13 HB2 PHE 13 2.634 16.768 0.837
92 HB3 PHE 13 HB1 PHE 13 3.422 17.800 -0.347
93 HD1 PHE 13 HD2 PHE 13 4.415 15.801 2.711
94 HD2 PHE 13 HD1 PHE 13 5.344 16.886 -1.319
95 HE1 PHE 13 HE2 PHE 13 6.372 14.313 2.753
96 HE2 PHE 13 HE1 PHE 13 7.303 15.407 -1.259
97 HZ PHE 13 HZ PHE 13 7.821 14.115 0.771
98 H PHE 14 HN PHE 14 4.621 20.527 0.519
99 HA PHE 14 HA PHE 14 2.756 22.516 0.590
100 HB2 PHE 14 HB2 PHE 14 5.121 22.735 -0.202
101 HB3 PHE 14 HB1 PHE 14 4.674 21.964 -1.721
102 HD1 PHE 14 HD1 PHE 14 3.843 24.925 0.442
103 HD2 PHE 14 HD2 PHE 14 3.941 23.331 -3.531
104 HE1 PHE 14 HE1 PHE 14 3.220 27.126 -0.470
105 HE2 PHE 14 HE2 PHE 14 3.326 25.536 -4.425
106 HZ PHE 14 HZ PHE 14 2.958 27.433 -2.898
107 H SER 15 HN SER 15 2.687 19.718 -1.561
108 HA SER 15 HA SER 15 0.037 20.631 -2.544
109 HB2 SER 15 HB2 SER 15 1.526 19.968 -4.363
110 HB3 SER 15 HB1 SER 15 1.869 18.430 -3.581
111 HG SER 15 HG SER 15 -0.482 19.297 -4.860
112 H GLU 16 HN GLU 16 -1.739 19.591 -1.849
113 HA GLU 16 HA GLU 16 -1.572 17.578 0.223
114 HB2 GLU 16 HB2 GLU 16 -4.094 17.701 0.190
115 HB3 GLU 16 HB1 GLU 16 -3.286 19.232 0.512
116 HG2 GLU 16 HG2 GLU 16 -3.652 19.943 -1.814
117 HG3 GLU 16 HG1 GLU 16 -4.411 18.393 -2.176
118 H ASN 17 HN ASN 17 -2.328 17.679 -3.215
119 HA ASN 17 HA ASN 17 -3.111 14.934 -3.519
120 HB2 ASN 17 HB2 ASN 17 -3.560 16.670 -5.260
121 HB3 ASN 17 HB1 ASN 17 -1.832 16.841 -5.539
122 HD21 ASN 17 HD21 ASN 17 -1.901 16.244 -7.682
123 HD22 ASN 17 HD22 ASN 17 -2.282 14.649 -8.232
124 H GLY 18 HN GLY 18 -0.119 16.705 -3.518
125 HA2 GLY 18 HA2 GLY 18 1.651 14.560 -4.290
126 HA3 GLY 18 HA1 GLY 18 2.129 16.115 -3.624
127 H LEU 19 HN LEU 19 0.504 15.881 -1.220
128 HA LEU 19 HA LEU 19 2.095 14.373 0.554
129 HB2 LEU 19 HB2 LEU 19 0.713 16.395 1.083
130 HB3 LEU 19 HB1 LEU 19 -0.733 15.440 0.912
131 HG LEU 19 HG LEU 19 0.031 15.969 3.296
132 HD11 LEU 19 HD11 LEU 19 -1.639 14.222 2.883
133 HD12 LEU 19 HD12 LEU 19 -0.605 13.835 4.252
134 HD13 LEU 19 HD13 LEU 19 -0.351 13.025 2.707
135 HD21 LEU 19 HD21 LEU 19 1.764 14.566 4.304
136 HD22 LEU 19 HD22 LEU 19 2.426 15.609 3.041
137 HD23 LEU 19 HD23 LEU 19 2.156 13.892 2.719
138 H ARG 20 HN ARG 20 -1.209 13.816 -0.648
139 HA ARG 20 HA ARG 20 -1.713 11.297 0.437
140 HB2 ARG 20 HB2 ARG 20 -2.732 12.582 -2.095
141 HB3 ARG 20 HB1 ARG 20 -3.349 11.043 -1.484
142 HG2 ARG 20 HG2 ARG 20 -3.964 12.194 0.661
143 HG3 ARG 20 HG1 ARG 20 -3.472 13.729 -0.069
144 HD2 ARG 20 HD2 ARG 20 -5.604 11.881 -1.156
145 HD3 ARG 20 HD1 ARG 20 -5.914 13.320 -0.191
146 HE ARG 20 HE ARG 20 -4.904 14.644 -2.008
147 HH11 ARG 20 HH11 ARG 20 -6.040 11.444 -2.850
148 HH12 ARG 20 HH12 ARG 20 -6.353 11.858 -4.502
149 HH21 ARG 20 HH21 ARG 20 -5.342 15.174 -4.182
150 HH22 ARG 20 HH22 ARG 20 -5.961 13.959 -5.254
151 H GLU 21 HN GLU 21 -0.290 12.133 -2.664
152 HA GLU 21 HA GLU 21 0.256 9.610 -3.725
153 HB2 GLU 21 HB2 GLU 21 0.386 11.750 -4.964
154 HB3 GLU 21 HB1 GLU 21 1.794 12.221 -4.017
155 HG2 GLU 21 HG2 GLU 21 3.064 10.322 -4.992
156 HG3 GLU 21 HG1 GLU 21 1.661 9.906 -5.976
157 H HIS 22 HN HIS 22 2.148 11.690 -1.580
158 HA HIS 22 HA HIS 22 4.471 10.076 -1.308
159 HB2 HIS 22 HB2 HIS 22 4.876 12.300 -0.712
160 HB3 HIS 22 HB1 HIS 22 3.313 12.499 0.064
161 HD1 HIS 22 HD1 HIS 22 6.809 11.255 0.791
162 HD2 HIS 22 HD2 HIS 22 3.221 11.979 2.738
163 HE1 HIS 22 HE1 HIS 22 7.253 10.913 3.253
164 H LEU 23 HN LEU 23 1.420 10.199 0.476
165 HA LEU 23 HA LEU 23 2.199 8.981 2.858
166 HB2 LEU 23 HB2 LEU 23 0.125 10.355 2.252
167 HB3 LEU 23 HB1 LEU 23 -0.567 8.884 1.603
168 HG LEU 23 HG LEU 23 0.335 8.999 4.499
169 HD11 LEU 23 HD11 LEU 23 -1.893 9.735 5.182
170 HD12 LEU 23 HD12 LEU 23 -2.381 9.899 3.493
171 HD13 LEU 23 HD13 LEU 23 -1.128 10.951 4.155
172 HD21 LEU 23 HD21 LEU 23 -0.259 6.790 3.592
173 HD22 LEU 23 HD22 LEU 23 -1.848 7.397 3.126
174 HD23 LEU 23 HD23 LEU 23 -1.403 7.301 4.832
175 H GLN 24 HN GLN 24 1.104 7.637 -0.175
176 HA GLN 24 HA GLN 24 0.689 4.944 0.608
177 HB2 GLN 24 HB2 GLN 24 1.305 6.088 -2.144
178 HB3 GLN 24 HB1 GLN 24 0.585 4.513 -1.818
179 HG2 GLN 24 HG2 GLN 24 -1.435 5.531 -0.956
180 HG3 GLN 24 HG1 GLN 24 -0.709 7.137 -1.013
181 HE21 GLN 24 HE21 GLN 24 -0.396 8.121 -3.054
182 HE22 GLN 24 HE22 GLN 24 -1.276 7.618 -4.453
183 H THR 25 HN THR 25 3.625 6.680 0.034
184 HA THR 25 HA THR 25 5.222 4.521 -1.001
185 HB THR 25 HB THR 25 7.155 5.960 -0.765
186 HG1 THR 25 HG1 THR 25 6.063 8.175 0.307
187 HG21 THR 25 HG21 THR 25 4.773 7.646 -1.610
188 HG22 THR 25 HG22 THR 25 5.686 6.552 -2.653
189 HG23 THR 25 HG23 THR 25 6.458 7.997 -1.998
190 H HIS 26 HN HIS 26 4.020 5.098 2.100
191 HA HIS 26 HA HIS 26 6.266 3.998 3.610
192 HB2 HIS 26 HB2 HIS 26 3.429 4.693 4.487
193 HB3 HIS 26 HB1 HIS 26 4.711 4.154 5.568
194 HD1 HIS 26 HD1 HIS 26 7.047 5.834 4.935
195 HD2 HIS 26 HD2 HIS 26 3.180 7.365 4.830
196 HE1 HIS 26 HE1 HIS 26 7.261 8.335 5.147
197 H ARG 27 HN ARG 27 3.282 2.924 2.170
198 HA ARG 27 HA ARG 27 3.683 0.123 2.937
199 HB2 ARG 27 HB2 ARG 27 1.378 1.124 2.608
200 HB3 ARG 27 HB1 ARG 27 1.770 1.387 0.910
201 HG2 ARG 27 HG2 ARG 27 2.032 -1.089 0.630
202 HG3 ARG 27 HG1 ARG 27 1.532 -1.297 2.313
203 HD2 ARG 27 HD2 ARG 27 -0.397 -1.685 0.916
204 HD3 ARG 27 HD1 ARG 27 -0.637 -0.142 1.744
205 HE ARG 27 HE ARG 27 0.340 -0.330 -1.054
206 HH11 ARG 27 HH11 ARG 27 -1.841 1.139 1.279
207 HH12 ARG 27 HH12 ARG 27 -2.573 2.183 0.100
208 HH21 ARG 27 HH21 ARG 27 -0.651 1.017 -2.566
209 HH22 ARG 27 HH22 ARG 27 -1.902 2.111 -2.066
210 H GLY 28 HN GLY 28 4.387 2.401 0.435
211 HA2 GLY 28 HA2 GLY 28 6.216 2.094 -1.115
212 HA3 GLY 28 HA1 GLY 28 5.722 0.411 -1.304
213 HA PRO 29 HA PRO 29 3.432 3.501 -4.333
214 HB2 PRO 29 HB2 PRO 29 4.955 3.055 -6.617
215 HB3 PRO 29 HB1 PRO 29 5.208 4.404 -5.505
216 HG2 PRO 29 HG2 PRO 29 6.657 1.760 -5.635
217 HG3 PRO 29 HG1 PRO 29 7.327 3.400 -5.451
218 HD2 PRO 29 HD2 PRO 29 7.043 1.777 -3.322
219 HD3 PRO 29 HD1 PRO 29 6.737 3.524 -3.186
220 H ALA 30 HN ALA 30 1.893 2.692 -5.885
221 HA ALA 30 HA ALA 30 1.564 -0.166 -6.074
222 HB1 ALA 30 HB1 ALA 30 -0.473 0.363 -7.333
223 HB2 ALA 30 HB2 ALA 30 0.001 2.059 -7.421
224 HB3 ALA 30 HB3 ALA 30 -0.379 1.333 -5.861
225 H LYS 31 HN LYS 31 3.949 0.100 -7.073
226 HA LYS 31 HA LYS 31 3.775 -0.379 -9.944
227 HB2 LYS 31 HB2 LYS 31 5.785 1.541 -8.673
228 HB3 LYS 31 HB1 LYS 31 5.839 0.973 -10.342
229 HG2 LYS 31 HG2 LYS 31 3.602 2.051 -10.724
230 HG3 LYS 31 HG1 LYS 31 3.701 2.740 -9.098
231 HD2 LYS 31 HD2 LYS 31 5.730 3.980 -9.725
232 HD3 LYS 31 HD1 LYS 31 5.715 3.228 -11.325
233 HE2 LYS 31 HE2 LYS 31 3.456 4.294 -11.701
234 HE3 LYS 31 HE1 LYS 31 3.690 5.199 -10.207
235 HZ1 LYS 31 HZ1 LYS 31 4.317 6.471 -12.154
236 HZ2 LYS 31 HZ2 LYS 31 5.447 5.301 -12.598
237 HZ3 LYS 31 HZ3 LYS 31 5.668 6.180 -11.173
238 H HIS 32 HN HIS 32 5.550 -1.647 -10.743
239 HA HIS 32 HA HIS 32 6.900 -3.450 -10.733
240 HB2 HIS 32 HB2 HIS 32 8.566 -1.785 -9.932
241 HB3 HIS 32 HB1 HIS 32 8.102 -2.101 -8.265
242 HD1 HIS 32 HD1 HIS 32 9.227 -4.064 -7.100
243 HD2 HIS 32 HD2 HIS 32 10.038 -3.944 -11.177
244 HE1 HIS 32 HE1 HIS 32 11.025 -5.767 -7.484
245 HE2 HIS 32 HE2 HIS 32 11.540 -5.646 -9.943
246 H TYR 33 HN TYR 33 4.935 -4.660 -10.279
247 HA TYR 33 HA TYR 33 4.958 -6.006 -7.645
248 HB2 TYR 33 HB2 TYR 33 2.617 -5.047 -9.317
249 HB3 TYR 33 HB1 TYR 33 2.411 -6.501 -8.338
250 HD1 TYR 33 HD1 TYR 33 3.438 -2.901 -8.097
251 HD2 TYR 33 HD2 TYR 33 1.987 -6.324 -5.991
252 HE1 TYR 33 HE1 TYR 33 3.114 -1.538 -6.093
253 HE2 TYR 33 HE2 TYR 33 1.652 -4.944 -3.985
254 HH TYR 33 HH TYR 33 2.517 -2.869 -3.038
255 H MET 34 HN MET 34 5.456 -8.028 -7.651
256 HA MET 34 HA MET 34 5.428 -9.633 -10.121
257 HB2 MET 34 HB2 MET 34 7.547 -9.603 -8.829
258 HB3 MET 34 HB1 MET 34 6.696 -10.114 -7.382
259 HG2 MET 34 HG2 MET 34 6.200 -12.286 -8.435
260 HG3 MET 34 HG1 MET 34 7.049 -11.767 -9.897
261 HE1 MET 34 HE1 MET 34 8.584 -14.040 -9.673
262 HE2 MET 34 HE2 MET 34 7.720 -14.462 -8.191
263 HE3 MET 34 HE3 MET 34 9.483 -14.428 -8.207
264 H CYS 35 HN CYS 35 4.103 -11.480 -10.233
265 HA CYS 35 HA CYS 35 1.698 -11.425 -8.736
266 HB2 CYS 35 HB2 CYS 35 1.721 -12.230 -10.999
267 HB3 CYS 35 HB1 CYS 35 2.881 -13.459 -10.612
268 HA PRO 36 HA PRO 36 2.897 -14.159 -5.288
269 HB2 PRO 36 HB2 PRO 36 0.386 -14.755 -4.327
270 HB3 PRO 36 HB1 PRO 36 1.195 -13.212 -4.026
271 HG2 PRO 36 HG2 PRO 36 -0.879 -13.892 -6.109
272 HG3 PRO 36 HG1 PRO 36 -0.794 -12.475 -5.034
273 HD2 PRO 36 HD2 PRO 36 0.015 -12.370 -7.627
274 HD3 PRO 36 HD1 PRO 36 0.818 -11.415 -6.360
275 H ILE 37 HN ILE 37 0.314 -15.211 -7.594
276 HA ILE 37 HA ILE 37 0.334 -17.906 -6.620
277 HB ILE 37 HB ILE 37 -1.029 -16.828 -9.124
278 HG12 ILE 37 HG12 ILE 37 -2.145 -16.938 -6.274
279 HG13 ILE 37 HG11 ILE 37 -1.663 -15.469 -7.111
280 HG21 ILE 37 HG21 ILE 37 -0.971 -19.293 -8.981
281 HG22 ILE 37 HG22 ILE 37 -2.616 -18.689 -8.790
282 HG23 ILE 37 HG23 ILE 37 -1.702 -19.225 -7.378
283 HD11 ILE 37 HD11 ILE 37 -3.953 -17.290 -7.849
284 HD12 ILE 37 HD12 ILE 37 -3.454 -15.869 -8.768
285 HD13 ILE 37 HD13 ILE 37 -4.051 -15.688 -7.119
286 H CYS 38 HN CYS 38 1.187 -16.538 -9.899
287 HA CYS 38 HA CYS 38 2.772 -18.979 -10.418
288 HB2 CYS 38 HB2 CYS 38 2.446 -18.576 -12.780
289 HB3 CYS 38 HB1 CYS 38 0.894 -18.598 -11.980
290 H GLY 39 HN GLY 39 2.990 -15.368 -10.960
291 HA2 GLY 39 HA2 GLY 39 4.603 -14.216 -9.746
292 HA3 GLY 39 HA1 GLY 39 5.623 -15.638 -9.729
293 H GLU 40 HN GLU 40 4.181 -14.202 -12.655
294 HA GLU 40 HA GLU 40 6.790 -13.294 -13.561
295 HB2 GLU 40 HB2 GLU 40 5.670 -12.625 -15.601
296 HB3 GLU 40 HB1 GLU 40 5.234 -14.272 -15.200
297 HG2 GLU 40 HG2 GLU 40 3.455 -11.897 -14.593
298 HG3 GLU 40 HG1 GLU 40 3.407 -12.764 -16.104
299 H ARG 41 HN ARG 41 7.086 -11.070 -14.307
300 HA ARG 41 HA ARG 41 6.461 -9.205 -12.167
301 HB2 ARG 41 HB2 ARG 41 8.175 -8.986 -14.664
302 HB3 ARG 41 HB1 ARG 41 7.963 -7.659 -13.527
303 HG2 ARG 41 HG2 ARG 41 9.051 -8.894 -11.762
304 HG3 ARG 41 HG1 ARG 41 9.122 -10.353 -12.758
305 HD2 ARG 41 HD2 ARG 41 11.290 -9.071 -12.618
306 HD3 ARG 41 HD1 ARG 41 10.711 -9.351 -14.263
307 HE ARG 41 HE ARG 41 10.348 -6.780 -12.819
308 HH11 ARG 41 HH11 ARG 41 11.221 -8.495 -15.758
309 HH12 ARG 41 HH12 ARG 41 11.466 -7.041 -16.670
310 HH21 ARG 41 HH21 ARG 41 10.654 -4.898 -14.042
311 HH22 ARG 41 HH22 ARG 41 11.161 -5.013 -15.698
312 H PHE 42 HN PHE 42 5.189 -7.393 -12.306
313 HA PHE 42 HA PHE 42 4.042 -6.568 -14.896
314 HB2 PHE 42 HB2 PHE 42 2.625 -6.816 -12.206
315 HB3 PHE 42 HB1 PHE 42 1.966 -5.882 -13.548
316 HD1 PHE 42 HD2 PHE 42 1.359 -7.010 -15.693
317 HD2 PHE 42 HD1 PHE 42 2.492 -9.247 -12.229
318 HE1 PHE 42 HE2 PHE 42 0.419 -9.047 -16.697
319 HE2 PHE 42 HE1 PHE 42 1.564 -11.273 -13.249
320 HZ PHE 42 HZ PHE 42 0.523 -11.180 -15.477
321 HA PRO 43 HA PRO 43 5.743 -2.588 -14.044
322 HB2 PRO 43 HB2 PRO 43 3.972 -0.906 -15.321
323 HB3 PRO 43 HB1 PRO 43 5.092 -1.973 -16.185
324 HG2 PRO 43 HG2 PRO 43 2.187 -2.458 -15.497
325 HG3 PRO 43 HG1 PRO 43 3.011 -2.650 -17.063
326 HD2 PRO 43 HD2 PRO 43 2.555 -4.769 -15.482
327 HD3 PRO 43 HD1 PRO 43 4.074 -4.635 -16.401
328 H SER 44 HN SER 44 2.473 -3.308 -12.882
329 HA SER 44 HA SER 44 2.700 -1.455 -10.704
330 HB2 SER 44 HB2 SER 44 0.673 -0.112 -11.362
331 HB3 SER 44 HB1 SER 44 2.055 0.160 -12.398
332 HG SER 44 HG SER 44 1.037 -1.493 -13.817
333 H LEU 45 HN LEU 45 0.760 -1.400 -9.357
334 HA LEU 45 HA LEU 45 -0.656 -3.969 -9.206
335 HB2 LEU 45 HB2 LEU 45 0.298 -2.880 -7.163
336 HB3 LEU 45 HB1 LEU 45 -0.822 -1.545 -7.369
337 HG LEU 45 HG LEU 45 -2.741 -3.097 -6.978
338 HD11 LEU 45 HD11 LEU 45 -0.629 -5.214 -6.478
339 HD12 LEU 45 HD12 LEU 45 -1.767 -5.173 -7.827
340 HD13 LEU 45 HD13 LEU 45 -2.361 -5.387 -6.184
341 HD21 LEU 45 HD21 LEU 45 -1.786 -1.880 -5.061
342 HD22 LEU 45 HD22 LEU 45 -0.649 -3.198 -4.773
343 HD23 LEU 45 HD23 LEU 45 -2.381 -3.464 -4.567
344 H LEU 46 HN LEU 46 -1.438 -3.161 -11.415
345 HA LEU 46 HA LEU 46 -4.183 -2.262 -11.261
346 HB2 LEU 46 HB2 LEU 46 -2.145 -0.817 -13.025
347 HB3 LEU 46 HB1 LEU 46 -3.866 -0.789 -13.343
348 HG LEU 46 HG LEU 46 -3.992 0.249 -10.879
349 HD11 LEU 46 HD11 LEU 46 -1.615 0.018 -10.328
350 HD12 LEU 46 HD12 LEU 46 -2.103 1.709 -10.324
351 HD13 LEU 46 HD13 LEU 46 -1.183 1.059 -11.685
352 HD21 LEU 46 HD21 LEU 46 -3.921 2.518 -11.851
353 HD22 LEU 46 HD22 LEU 46 -4.780 1.393 -12.898
354 HD23 LEU 46 HD23 LEU 46 -3.131 1.880 -13.298
355 H THR 47 HN THR 47 -1.460 -2.990 -13.412
356 HA THR 47 HA THR 47 -2.865 -4.688 -15.204
357 HB THR 47 HB THR 47 -0.582 -5.268 -16.022
358 HG1 THR 47 HG1 THR 47 0.924 -5.216 -14.537
359 HG21 THR 47 HG21 THR 47 -0.887 -2.300 -15.383
360 HG22 THR 47 HG22 THR 47 -1.582 -3.129 -16.780
361 HG23 THR 47 HG23 THR 47 0.168 -2.983 -16.623
362 H LEU 48 HN LEU 48 -0.799 -5.320 -12.340
363 HA LEU 48 HA LEU 48 -1.030 -8.114 -12.228
364 HB2 LEU 48 HB2 LEU 48 0.537 -6.653 -10.891
365 HB3 LEU 48 HB1 LEU 48 -0.807 -6.168 -9.887
366 HG LEU 48 HG LEU 48 0.834 -7.918 -8.922
367 HD11 LEU 48 HD11 LEU 48 -0.870 -9.202 -7.731
368 HD12 LEU 48 HD12 LEU 48 -2.098 -8.682 -8.888
369 HD13 LEU 48 HD13 LEU 48 -1.319 -7.501 -7.835
370 HD21 LEU 48 HD21 LEU 48 1.065 -9.347 -10.892
371 HD22 LEU 48 HD22 LEU 48 -0.634 -9.804 -10.788
372 HD23 LEU 48 HD23 LEU 48 0.490 -10.273 -9.512
373 H THR 49 HN THR 49 -3.209 -5.576 -11.137
374 HA THR 49 HA THR 49 -5.160 -7.103 -9.808
375 HB THR 49 HB THR 49 -5.431 -4.474 -11.323
376 HG1 THR 49 HG1 THR 49 -4.957 -3.531 -9.400
377 HG21 THR 49 HG21 THR 49 -7.662 -5.496 -10.958
378 HG22 THR 49 HG22 THR 49 -7.444 -4.045 -9.984
379 HG23 THR 49 HG23 THR 49 -7.310 -5.635 -9.233
380 H GLU 50 HN GLU 50 -4.913 -6.095 -13.214
381 HA GLU 50 HA GLU 50 -7.352 -7.235 -14.161
382 HB2 GLU 50 HB2 GLU 50 -4.794 -6.552 -15.670
383 HB3 GLU 50 HB1 GLU 50 -6.329 -6.957 -16.435
384 HG2 GLU 50 HG2 GLU 50 -7.375 -4.960 -15.448
385 HG3 GLU 50 HG1 GLU 50 -5.879 -4.580 -14.606
386 H HIS 51 HN HIS 51 -4.079 -8.430 -13.884
387 HA HIS 51 HA HIS 51 -4.339 -10.957 -15.075
388 HB2 HIS 51 HB2 HIS 51 -2.192 -9.860 -14.586
389 HB3 HIS 51 HB1 HIS 51 -2.508 -9.948 -12.862
390 HD1 HIS 51 HD1 HIS 51 -2.242 -12.522 -15.702
391 HD2 HIS 51 HD2 HIS 51 -1.066 -11.876 -11.780
392 HE1 HIS 51 HE1 HIS 51 -0.818 -14.504 -15.046
393 H LYS 52 HN LYS 52 -4.744 -9.888 -11.718
394 HA LYS 52 HA LYS 52 -5.093 -12.344 -10.436
395 HB2 LYS 52 HB2 LYS 52 -4.495 -10.327 -9.236
396 HB3 LYS 52 HB1 LYS 52 -5.993 -9.538 -9.701
397 HG2 LYS 52 HG2 LYS 52 -7.249 -11.175 -8.279
398 HG3 LYS 52 HG1 LYS 52 -5.704 -11.862 -7.762
399 HD2 LYS 52 HD2 LYS 52 -5.048 -9.761 -6.730
400 HD3 LYS 52 HD1 LYS 52 -6.448 -8.934 -7.410
401 HE2 LYS 52 HE2 LYS 52 -6.808 -9.358 -5.054
402 HE3 LYS 52 HE1 LYS 52 -7.929 -10.320 -6.014
403 HZ1 LYS 52 HZ1 LYS 52 -6.900 -11.507 -4.119
404 HZ2 LYS 52 HZ2 LYS 52 -5.403 -11.380 -4.884
405 HZ3 LYS 52 HZ3 LYS 52 -6.647 -12.266 -5.603
406 H VAL 53 HN VAL 53 -7.583 -10.179 -11.840
407 HA VAL 53 HA VAL 53 -9.817 -11.233 -10.483
408 HB VAL 53 HB VAL 53 -11.205 -9.991 -12.123
409 HG11 VAL 53 HG11 VAL 53 -10.250 -8.753 -10.243
410 HG12 VAL 53 HG12 VAL 53 -10.332 -7.720 -11.671
411 HG13 VAL 53 HG13 VAL 53 -8.790 -8.420 -11.177
412 HG21 VAL 53 HG21 VAL 53 -9.944 -10.433 -14.193
413 HG22 VAL 53 HG22 VAL 53 -8.601 -9.454 -13.597
414 HG23 VAL 53 HG23 VAL 53 -10.155 -8.699 -13.950
415 H THR 54 HN THR 54 -8.194 -12.401 -13.266
416 HA THR 54 HA THR 54 -10.247 -14.536 -13.635
417 HB THR 54 HB THR 54 -9.300 -14.761 -16.013
418 HG1 THR 54 HG1 THR 54 -8.451 -12.249 -16.305
419 HG21 THR 54 HG21 THR 54 -10.667 -12.129 -15.320
420 HG22 THR 54 HG22 THR 54 -11.478 -13.665 -15.636
421 HG23 THR 54 HG23 THR 54 -10.593 -12.852 -16.928
422 H HIS 55 HN HIS 55 -6.852 -13.908 -14.235
423 HA HIS 55 HA HIS 55 -4.913 -15.001 -14.025
424 HB2 HIS 55 HB2 HIS 55 -5.698 -14.779 -11.601
425 HB3 HIS 55 HB1 HIS 55 -6.153 -16.475 -11.677
426 HD1 HIS 55 HD1 HIS 55 -3.987 -18.118 -12.416
427 HD2 HIS 55 HD2 HIS 55 -3.159 -14.339 -10.948
428 HE1 HIS 55 HE1 HIS 55 -1.502 -18.063 -11.968