Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504621 | 2emh RC | 10202 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 5.880 -21.716 15.179
2 HA2 GLY 1 1HA GLY 1 7.398 -19.486 14.013
3 HA3 GLY 1 2HA GLY 1 5.906 -19.997 13.237
4 H SER 2 H SER 2 5.789 -17.506 13.851
5 HA SER 2 HA SER 2 3.896 -17.382 16.034
6 HB2 SER 2 1HB SER 2 5.062 -15.442 17.111
7 HB3 SER 2 2HB SER 2 5.925 -16.971 17.277
8 HG SER 2 HG SER 2 7.539 -16.013 16.358
9 H SER 3 H SER 3 2.232 -16.471 15.031
10 HA SER 3 HA SER 3 2.618 -13.898 13.711
11 HB2 SER 3 1HB SER 3 1.253 -16.250 12.378
12 HB3 SER 3 2HB SER 3 1.244 -14.597 11.765
13 HG SER 3 HG SER 3 2.892 -15.697 10.750
14 H GLY 4 H GLY 4 1.233 -12.548 14.632
15 HA2 GLY 4 1HA GLY 4 -1.424 -13.588 15.403
16 HA3 GLY 4 2HA GLY 4 -0.531 -12.452 16.402
17 H SER 5 H SER 5 -2.980 -12.714 14.223
18 HA SER 5 HA SER 5 -2.875 -9.842 13.652
19 HB2 SER 5 1HB SER 5 -3.095 -12.060 11.651
20 HB3 SER 5 2HB SER 5 -3.929 -10.537 11.344
21 HG SER 5 HG SER 5 -1.264 -10.403 12.144
22 H SER 6 H SER 6 -5.002 -8.982 12.954
23 HA SER 6 HA SER 6 -7.007 -9.487 14.746
24 HB2 SER 6 1HB SER 6 -8.530 -8.321 13.181
25 HB3 SER 6 2HB SER 6 -6.980 -7.493 13.334
26 HG SER 6 HG SER 6 -7.943 -9.066 11.196
27 H GLY 7 H GLY 7 -6.139 -11.360 12.006
28 HA2 GLY 7 1HA GLY 7 -7.040 -13.691 12.168
29 HA3 GLY 7 2HA GLY 7 -8.623 -12.937 12.292
30 H THR 8 H THR 8 -9.548 -13.770 10.478
31 HA THR 8 HA THR 8 -8.172 -13.674 7.934
32 HB THR 8 HB THR 8 -11.037 -14.460 8.500
33 HG1 THR 8 HG1 THR 8 -8.800 -16.182 8.137
34 HG21 THR 8 3HG2 THR 8 -10.639 -15.787 6.350
35 HG22 THR 8 1HG2 THR 8 -9.236 -14.746 6.108
36 HG23 THR 8 2HG2 THR 8 -10.851 -14.043 6.192
37 H GLY 9 H GLY 9 -9.008 -12.587 6.058
38 HA2 GLY 9 1HA GLY 9 -10.814 -11.019 5.280
39 HA3 GLY 9 2HA GLY 9 -10.489 -10.129 6.760
40 H GLU 10 H GLU 10 -10.228 -9.567 3.756
41 HA GLU 10 HA GLU 10 -7.404 -8.741 3.754
42 HB2 GLU 10 1HB GLU 10 -9.343 -9.398 1.566
43 HB3 GLU 10 2HB GLU 10 -7.983 -8.334 1.234
44 HG2 GLU 10 1HG GLU 10 -6.506 -10.162 2.178
45 HG3 GLU 10 2HG GLU 10 -7.925 -11.204 2.105
46 H ARG 11 H ARG 11 -7.143 -6.685 2.261
47 HA ARG 11 HA ARG 11 -9.130 -4.694 3.141
48 HB2 ARG 11 1HB ARG 11 -6.155 -4.676 3.292
49 HB3 ARG 11 2HB ARG 11 -6.967 -3.154 2.949
50 HG2 ARG 11 1HG ARG 11 -7.924 -3.035 5.019
51 HG3 ARG 11 2HG ARG 11 -7.937 -4.786 5.234
52 HD2 ARG 11 1HD ARG 11 -5.310 -3.402 5.063
53 HD3 ARG 11 2HD ARG 11 -6.246 -3.233 6.547
54 HE ARG 11 HE ARG 11 -4.928 -5.614 5.577
55 HH11 ARG 11 1HH1 ARG 11 -7.330 -4.292 7.723
56 HH12 ARG 11 2HH1 ARG 11 -7.308 -5.652 8.796
57 HH21 ARG 11 1HH2 ARG 11 -4.890 -7.410 6.983
58 HH22 ARG 11 2HH2 ARG 11 -5.919 -7.424 8.375
59 HA PRO 12 HA PRO 12 -9.538 -3.439 -1.046
60 HB2 PRO 12 1HB PRO 12 -10.067 -0.793 -0.743
61 HB3 PRO 12 2HB PRO 12 -11.233 -2.058 -0.337
62 HG2 PRO 12 1HG PRO 12 -9.403 -0.520 1.464
63 HG3 PRO 12 2HG PRO 12 -11.105 -0.954 1.705
64 HD2 PRO 12 1HD PRO 12 -9.076 -2.317 2.869
65 HD3 PRO 12 2HD PRO 12 -10.594 -3.097 2.380
66 H TYR 13 H TYR 13 -7.672 -1.059 0.853
67 HA TYR 13 HA TYR 13 -6.048 -0.455 -1.490
68 HB2 TYR 13 1HB TYR 13 -5.650 0.777 1.219
69 HB3 TYR 13 2HB TYR 13 -5.331 1.467 -0.368
70 HD1 TYR 13 HD1 TYR 13 -7.192 2.326 -1.744
71 HD2 TYR 13 HD2 TYR 13 -7.820 0.924 2.224
72 HE1 TYR 13 HE1 TYR 13 -9.376 3.457 -1.696
73 HE2 TYR 13 HE2 TYR 13 -10.006 2.050 2.282
74 HH TYR 13 HH TYR 13 -11.196 3.898 -0.512
75 H ILE 14 H ILE 14 -3.922 -0.953 -1.713
76 HA ILE 14 HA ILE 14 -2.487 -2.173 0.515
77 HB ILE 14 HB ILE 14 -2.941 -3.563 -2.124
78 HG12 ILE 14 1HG1 ILE 14 -3.528 -5.430 -0.376
79 HG13 ILE 14 2HG1 ILE 14 -3.746 -4.069 0.719
80 HG21 ILE 14 1HG2 ILE 14 -0.705 -4.002 -1.787
81 HG22 ILE 14 2HG2 ILE 14 -0.850 -3.948 -0.031
82 HG23 ILE 14 3HG2 ILE 14 -1.459 -5.342 -0.923
83 HD11 ILE 14 3HD1 ILE 14 -5.588 -5.127 -1.099
84 HD12 ILE 14 1HD1 ILE 14 -5.755 -3.678 -0.108
85 HD13 ILE 14 2HD1 ILE 14 -5.107 -3.558 -1.744
86 H CYS 15 H CYS 15 -0.629 -1.120 0.643
87 HA CYS 15 HA CYS 15 0.436 0.647 -1.157
88 HB2 CYS 15 1HB CYS 15 1.164 0.266 1.233
89 HB3 CYS 15 2HB CYS 15 2.119 -1.093 0.651
90 H THR 16 H THR 16 0.861 0.280 -3.233
91 HA THR 16 HA THR 16 1.830 -2.293 -4.141
92 HB THR 16 HB THR 16 1.680 -1.345 -6.399
93 HG1 THR 16 HG1 THR 16 1.464 0.758 -6.717
94 HG21 THR 16 3HG2 THR 16 -0.365 -2.248 -5.867
95 HG22 THR 16 1HG2 THR 16 -0.832 -0.574 -6.165
96 HG23 THR 16 2HG2 THR 16 -0.620 -1.150 -4.511
97 H VAL 17 H VAL 17 3.607 -0.891 -2.404
98 HA VAL 17 HA VAL 17 5.860 -0.446 -4.250
99 HB VAL 17 HB VAL 17 5.334 1.025 -1.664
100 HG11 VAL 17 1HG1 VAL 17 7.703 0.580 -1.926
101 HG12 VAL 17 2HG1 VAL 17 7.661 1.207 -3.575
102 HG13 VAL 17 3HG1 VAL 17 7.374 2.289 -2.213
103 HG21 VAL 17 3HG2 VAL 17 4.303 1.541 -4.153
104 HG22 VAL 17 1HG2 VAL 17 4.503 2.723 -2.859
105 HG23 VAL 17 2HG2 VAL 17 5.737 2.567 -4.110
106 H CYS 18 H CYS 18 4.998 -1.234 -0.886
107 HA CYS 18 HA CYS 18 7.427 -2.888 -0.727
108 HB2 CYS 18 1HB CYS 18 7.112 -2.743 1.743
109 HB3 CYS 18 2HB CYS 18 7.387 -1.181 0.978
110 H GLY 19 H GLY 19 3.951 -2.850 -0.090
111 HA2 GLY 19 1HA GLY 19 2.773 -4.926 -0.762
112 HA3 GLY 19 2HA GLY 19 4.049 -5.800 0.073
113 H LYS 20 H LYS 20 2.548 -2.863 1.277
114 HA LYS 20 HA LYS 20 1.551 -4.402 3.571
115 HB2 LYS 20 1HB LYS 20 3.108 -2.613 4.131
116 HB3 LYS 20 2HB LYS 20 2.110 -1.445 3.274
117 HG2 LYS 20 1HG LYS 20 0.401 -1.567 4.888
118 HG3 LYS 20 2HG LYS 20 1.085 -3.022 5.615
119 HD2 LYS 20 1HD LYS 20 2.741 -0.546 5.540
120 HD3 LYS 20 2HD LYS 20 1.428 -0.652 6.716
121 HE2 LYS 20 1HE LYS 20 3.127 -1.554 7.948
122 HE3 LYS 20 2HE LYS 20 2.504 -3.015 7.183
123 HZ1 LYS 20 3HZ LYS 20 4.250 -3.012 5.629
124 HZ2 LYS 20 1HZ LYS 20 4.985 -2.696 7.120
125 HZ3 LYS 20 2HZ LYS 20 4.724 -1.436 6.022
126 H ALA 21 H ALA 21 -0.544 -4.012 4.405
127 HA ALA 21 HA ALA 21 -2.431 -3.023 2.376
128 HB1 ALA 21 3HB ALA 21 -3.659 -4.503 4.531
129 HB2 ALA 21 1HB ALA 21 -3.702 -4.798 2.793
130 HB3 ALA 21 2HB ALA 21 -2.371 -5.431 3.763
131 H PHE 22 H PHE 22 -4.295 -1.829 3.082
132 HA PHE 22 HA PHE 22 -4.202 -0.673 5.753
133 HB2 PHE 22 1HB PHE 22 -3.972 0.964 3.223
134 HB3 PHE 22 2HB PHE 22 -4.395 1.646 4.790
135 HD1 PHE 22 HD2 PHE 22 -1.733 -0.004 2.856
136 HD2 PHE 22 HD1 PHE 22 -2.747 2.036 6.451
137 HE1 PHE 22 HE2 PHE 22 0.656 0.235 3.390
138 HE2 PHE 22 HE1 PHE 22 -0.358 2.280 6.990
139 HZ PHE 22 HZ PHE 22 1.347 1.377 5.459
140 H THR 23 H THR 23 -6.181 -0.223 6.543
141 HA THR 23 HA THR 23 -8.475 -1.096 5.093
142 HB THR 23 HB THR 23 -8.416 0.448 7.691
143 HG1 THR 23 HG1 THR 23 -7.764 -1.347 8.594
144 HG21 THR 23 3HG2 THR 23 -10.485 -1.547 6.834
145 HG22 THR 23 1HG2 THR 23 -10.598 0.141 6.339
146 HG23 THR 23 2HG2 THR 23 -10.604 -0.278 8.053
147 H ASP 24 H ASP 24 -7.512 2.095 6.363
148 HA ASP 24 HA ASP 24 -9.511 3.352 4.634
149 HB2 ASP 24 1HB ASP 24 -9.256 3.928 7.114
150 HB3 ASP 24 2HB ASP 24 -7.767 4.750 6.657
151 H ARG 25 H ARG 25 -9.009 4.664 2.953
152 HA ARG 25 HA ARG 25 -6.616 4.375 1.591
153 HB2 ARG 25 1HB ARG 25 -8.534 5.137 0.402
154 HB3 ARG 25 2HB ARG 25 -8.715 6.535 1.454
155 HG2 ARG 25 1HG ARG 25 -7.817 7.442 -0.471
156 HG3 ARG 25 2HG ARG 25 -6.400 7.228 0.560
157 HD2 ARG 25 1HD ARG 25 -5.564 5.522 -0.710
158 HD3 ARG 25 2HD ARG 25 -7.159 4.994 -1.243
159 HE ARG 25 HE ARG 25 -6.903 7.372 -2.468
160 HH11 ARG 25 1HH1 ARG 25 -4.796 4.609 -2.247
161 HH12 ARG 25 2HH1 ARG 25 -4.067 4.878 -3.795
162 HH21 ARG 25 1HH2 ARG 25 -5.950 7.737 -4.508
163 HH22 ARG 25 2HH2 ARG 25 -4.723 6.658 -5.080
164 H SER 26 H SER 26 -7.672 7.147 3.565
165 HA SER 26 HA SER 26 -5.524 8.811 3.312
166 HB2 SER 26 1HB SER 26 -7.346 8.229 5.623
167 HB3 SER 26 2HB SER 26 -6.002 9.352 5.830
168 HG SER 26 HG SER 26 -8.042 9.543 3.863
169 H ASN 27 H ASN 27 -5.830 6.182 5.695
170 HA ASN 27 HA ASN 27 -3.421 6.436 6.991
171 HB2 ASN 27 1HB ASN 27 -5.074 4.019 6.301
172 HB3 ASN 27 2HB ASN 27 -3.566 3.858 7.196
173 HD21 ASN 27 1HD2 ASN 27 -5.645 2.966 8.478
174 HD22 ASN 27 2HD2 ASN 27 -6.184 4.054 9.707
175 H LEU 28 H LEU 28 -4.073 4.640 3.996
176 HA LEU 28 HA LEU 28 -1.525 3.596 3.588
177 HB2 LEU 28 1HB LEU 28 -3.354 2.823 2.273
178 HB3 LEU 28 2HB LEU 28 -3.656 4.438 1.637
179 HG LEU 28 HG LEU 28 -1.566 4.330 0.368
180 HD11 LEU 28 1HD1 LEU 28 -0.163 2.962 1.665
181 HD12 LEU 28 2HD1 LEU 28 -0.480 2.043 0.194
182 HD13 LEU 28 3HD1 LEU 28 -1.331 1.640 1.684
183 HD21 LEU 28 3HD2 LEU 28 -2.577 1.841 -0.611
184 HD22 LEU 28 1HD2 LEU 28 -2.762 3.461 -1.285
185 HD23 LEU 28 2HD2 LEU 28 -3.922 2.862 -0.100
186 H ILE 29 H ILE 29 -2.913 6.612 2.292
187 HA ILE 29 HA ILE 29 -0.722 7.538 0.893
188 HB ILE 29 HB ILE 29 -2.675 9.210 2.479
189 HG12 ILE 29 1HG1 ILE 29 -2.785 8.540 -0.460
190 HG13 ILE 29 2HG1 ILE 29 -3.603 7.567 0.757
191 HG21 ILE 29 1HG2 ILE 29 -1.301 10.145 0.005
192 HG22 ILE 29 2HG2 ILE 29 -1.951 11.076 1.354
193 HG23 ILE 29 3HG2 ILE 29 -0.436 10.194 1.541
194 HD11 ILE 29 3HD1 ILE 29 -4.114 10.443 0.061
195 HD12 ILE 29 1HD1 ILE 29 -5.193 9.065 -0.158
196 HD13 ILE 29 2HD1 ILE 29 -4.810 9.637 1.466
197 H LYS 30 H LYS 30 -1.429 7.839 4.342
198 HA LYS 30 HA LYS 30 0.717 9.552 4.987
199 HB2 LYS 30 1HB LYS 30 -1.101 9.303 6.535
200 HB3 LYS 30 2HB LYS 30 -0.837 7.567 6.650
201 HG2 LYS 30 1HG LYS 30 1.339 7.989 7.715
202 HG3 LYS 30 2HG LYS 30 1.016 9.723 7.646
203 HD2 LYS 30 1HD LYS 30 0.383 9.136 9.811
204 HD3 LYS 30 2HD LYS 30 -1.145 9.154 8.927
205 HE2 LYS 30 1HE LYS 30 -1.337 7.161 10.038
206 HE3 LYS 30 2HE LYS 30 -0.574 6.616 8.545
207 HZ1 LYS 30 3HZ LYS 30 1.412 6.252 9.582
208 HZ2 LYS 30 1HZ LYS 30 0.356 5.894 10.855
209 HZ3 LYS 30 2HZ LYS 30 1.134 7.394 10.799
210 H HIS 31 H HIS 31 0.480 6.087 4.589
211 HA HIS 31 HA HIS 31 2.950 5.427 5.826
212 HB2 HIS 31 1HB HIS 31 1.399 3.658 5.593
213 HB3 HIS 31 2HB HIS 31 1.160 3.985 3.879
214 HD1 HIS 31 HD1 HIS 31 3.673 2.487 6.257
215 HD2 HIS 31 HD2 HIS 31 2.894 2.683 2.180
216 HE1 HIS 31 HE1 HIS 31 5.256 0.850 5.190
217 H GLN 32 H GLN 32 1.999 6.107 2.487
218 HA GLN 32 HA GLN 32 4.309 5.446 1.145
219 HB2 GLN 32 1HB GLN 32 2.471 7.794 0.654
220 HB3 GLN 32 2HB GLN 32 3.680 7.221 -0.486
221 HG2 GLN 32 1HG GLN 32 2.538 5.071 -0.627
222 HG3 GLN 32 2HG GLN 32 1.329 5.637 0.525
223 HE21 GLN 32 1HE2 GLN 32 -0.467 5.712 -0.667
224 HE22 GLN 32 2HE2 GLN 32 -0.656 6.624 -2.122
225 H LYS 33 H LYS 33 3.796 8.001 3.395
226 HA LYS 33 HA LYS 33 5.691 9.878 2.668
227 HB2 LYS 33 1HB LYS 33 4.803 8.942 5.395
228 HB3 LYS 33 2HB LYS 33 5.892 10.304 5.166
229 HG2 LYS 33 1HG LYS 33 4.058 11.250 3.638
230 HG3 LYS 33 2HG LYS 33 3.009 10.053 4.402
231 HD2 LYS 33 1HD LYS 33 3.831 11.013 6.624
232 HD3 LYS 33 2HD LYS 33 4.459 12.360 5.672
233 HE2 LYS 33 1HE LYS 33 1.620 11.504 5.321
234 HE3 LYS 33 2HE LYS 33 2.065 12.475 6.724
235 HZ1 LYS 33 3HZ LYS 33 1.633 14.140 5.284
236 HZ2 LYS 33 1HZ LYS 33 1.971 13.214 3.909
237 HZ3 LYS 33 2HZ LYS 33 3.237 13.874 4.816
238 H ILE 34 H ILE 34 6.173 6.648 3.636
239 HA ILE 34 HA ILE 34 8.890 7.045 4.565
240 HB ILE 34 HB ILE 34 8.953 4.764 5.080
241 HG12 ILE 34 1HG1 ILE 34 6.612 4.385 3.200
242 HG13 ILE 34 2HG1 ILE 34 8.275 3.897 2.896
243 HG21 ILE 34 1HG2 ILE 34 7.394 4.785 6.677
244 HG22 ILE 34 2HG2 ILE 34 6.874 6.318 5.981
245 HG23 ILE 34 3HG2 ILE 34 6.074 4.819 5.508
246 HD11 ILE 34 3HD1 ILE 34 8.159 2.289 4.698
247 HD12 ILE 34 1HD1 ILE 34 6.521 2.813 5.086
248 HD13 ILE 34 2HD1 ILE 34 6.852 2.019 3.546
249 H HIS 35 H HIS 35 7.222 6.025 1.663
250 HA HIS 35 HA HIS 35 9.658 5.152 0.362
251 HB2 HIS 35 1HB HIS 35 6.920 5.556 -0.854
252 HB3 HIS 35 2HB HIS 35 8.254 4.628 -1.532
253 HD1 HIS 35 HD1 HIS 35 9.054 2.667 0.430
254 HD2 HIS 35 HD2 HIS 35 5.088 3.875 0.171
255 HE1 HIS 35 HE1 HIS 35 7.719 0.823 1.498
256 H THR 36 H THR 36 7.673 8.001 0.535
257 HA THR 36 HA THR 36 8.988 9.253 -1.736
258 HB THR 36 HB THR 36 6.512 9.567 -1.118
259 HG1 THR 36 HG1 THR 36 8.090 10.992 -2.465
260 HG21 THR 36 3HG2 THR 36 7.402 11.824 0.598
261 HG22 THR 36 1HG2 THR 36 7.362 10.215 1.318
262 HG23 THR 36 2HG2 THR 36 5.895 10.909 0.626
263 H GLY 37 H GLY 37 9.103 9.282 1.754
264 HA2 GLY 37 1HA GLY 37 11.340 11.201 1.589
265 HA3 GLY 37 2HA GLY 37 10.117 11.337 2.843
266 H GLU 38 H GLU 38 12.964 9.697 1.784
267 HA GLU 38 HA GLU 38 12.977 8.140 4.287
268 HB2 GLU 38 1HB GLU 38 14.505 6.565 3.128
269 HB3 GLU 38 2HB GLU 38 12.912 6.650 2.389
270 HG2 GLU 38 1HG GLU 38 13.731 7.975 0.590
271 HG3 GLU 38 2HG GLU 38 15.293 8.182 1.380
272 H LYS 39 H LYS 39 14.940 10.004 2.013
273 HA LYS 39 HA LYS 39 16.830 10.535 4.208
274 HB2 LYS 39 1HB LYS 39 17.488 10.045 1.298
275 HB3 LYS 39 2HB LYS 39 18.639 10.638 2.488
276 HG2 LYS 39 1HG LYS 39 17.189 8.105 3.056
277 HG3 LYS 39 2HG LYS 39 18.498 8.090 1.872
278 HD2 LYS 39 1HD LYS 39 18.844 9.290 4.605
279 HD3 LYS 39 2HD LYS 39 19.097 7.569 4.304
280 HE2 LYS 39 1HE LYS 39 20.469 9.690 2.679
281 HE3 LYS 39 2HE LYS 39 21.140 9.102 4.199
282 HZ1 LYS 39 3HZ LYS 39 20.456 7.351 1.903
283 HZ2 LYS 39 1HZ LYS 39 21.279 6.908 3.313
284 HZ3 LYS 39 2HZ LYS 39 22.007 7.955 2.203
285 HA PRO 40 HA PRO 40 16.087 14.792 3.388
286 HB2 PRO 40 1HB PRO 40 18.393 15.849 4.357
287 HB3 PRO 40 2HB PRO 40 17.117 15.210 5.399
288 HG2 PRO 40 1HG PRO 40 19.665 13.914 4.514
289 HG3 PRO 40 2HG PRO 40 18.912 13.920 6.119
290 HD2 PRO 40 1HD PRO 40 18.711 11.819 4.423
291 HD3 PRO 40 2HD PRO 40 17.422 12.251 5.564
292 H SER 41 H SER 41 17.232 16.746 2.403
293 HA SER 41 HA SER 41 18.075 16.066 -0.221
294 HB2 SER 41 1HB SER 41 18.476 18.552 -0.432
295 HB3 SER 41 2HB SER 41 16.850 18.104 0.083
296 HG SER 41 HG SER 41 18.243 19.817 1.272
297 H GLY 42 H GLY 42 19.941 14.786 0.025
298 HA2 GLY 42 1HA GLY 42 22.364 16.371 0.569
299 HA3 GLY 42 2HA GLY 42 22.171 14.787 1.305
300 HA PRO 43 HA PRO 43 24.496 14.193 -2.637
301 HB2 PRO 43 1HB PRO 43 26.252 12.406 -1.591
302 HB3 PRO 43 2HB PRO 43 26.493 14.155 -1.502
303 HG2 PRO 43 1HG PRO 43 25.427 12.281 0.575
304 HG3 PRO 43 2HG PRO 43 26.578 13.618 0.759
305 HD2 PRO 43 1HD PRO 43 23.960 13.849 1.411
306 HD3 PRO 43 2HD PRO 43 24.913 15.212 0.792
307 H SER 44 H SER 44 22.597 12.317 -0.557
308 HA SER 44 HA SER 44 22.894 9.731 -1.555
309 HB2 SER 44 1HB SER 44 21.578 10.242 0.453
310 HB3 SER 44 2HB SER 44 20.374 11.069 -0.536
311 HG SER 44 HG SER 44 19.886 8.833 0.027
312 H SER 45 H SER 45 21.938 8.586 -3.208
313 HA SER 45 HA SER 45 20.584 10.211 -5.261
314 HB2 SER 45 1HB SER 45 22.321 7.764 -5.668
315 HB3 SER 45 2HB SER 45 21.549 8.709 -6.941
316 HG SER 45 HG SER 45 23.289 9.873 -6.890
317 H GLY 46 H GLY 46 19.060 9.110 -3.252
318 HA2 GLY 46 1HA GLY 46 17.065 7.969 -3.074
319 HA3 GLY 46 2HA GLY 46 17.238 7.506 -4.760
Start of MODEL 2
1 H1 GLY 1 H GLY 1 6.925 -21.303 10.648
2 HA2 GLY 1 1HA GLY 1 7.459 -19.546 12.953
3 HA3 GLY 1 2HA GLY 1 7.196 -18.850 11.360
4 H SER 2 H SER 2 5.636 -18.262 13.639
5 HA SER 2 HA SER 2 3.024 -19.072 12.627
6 HB2 SER 2 1HB SER 2 2.181 -19.792 14.749
7 HB3 SER 2 2HB SER 2 3.688 -20.667 14.475
8 HG SER 2 HG SER 2 4.724 -19.267 15.882
9 H SER 3 H SER 3 1.715 -17.374 12.500
10 HA SER 3 HA SER 3 2.531 -14.870 13.735
11 HB2 SER 3 1HB SER 3 0.671 -15.651 11.535
12 HB3 SER 3 2HB SER 3 0.369 -14.130 12.374
13 HG SER 3 HG SER 3 2.712 -14.913 10.986
14 H GLY 4 H GLY 4 -0.488 -16.763 13.496
15 HA2 GLY 4 1HA GLY 4 -2.378 -16.714 14.826
16 HA3 GLY 4 2HA GLY 4 -1.193 -16.913 16.109
17 H SER 5 H SER 5 -2.295 -14.254 13.999
18 HA SER 5 HA SER 5 -2.994 -12.697 16.359
19 HB2 SER 5 1HB SER 5 -1.710 -10.719 15.491
20 HB3 SER 5 2HB SER 5 -0.694 -12.045 16.057
21 HG SER 5 HG SER 5 -0.052 -12.429 14.061
22 H SER 6 H SER 6 -4.400 -10.947 15.928
23 HA SER 6 HA SER 6 -6.250 -11.402 13.858
24 HB2 SER 6 1HB SER 6 -7.417 -9.498 14.671
25 HB3 SER 6 2HB SER 6 -6.654 -10.223 16.086
26 HG SER 6 HG SER 6 -4.950 -8.666 15.801
27 H GLY 7 H GLY 7 -6.420 -10.648 11.830
28 HA2 GLY 7 1HA GLY 7 -6.091 -8.705 10.327
29 HA3 GLY 7 2HA GLY 7 -4.462 -8.603 10.979
30 H THR 8 H THR 8 -6.637 -10.565 9.019
31 HA THR 8 HA THR 8 -4.440 -12.198 8.045
32 HB THR 8 HB THR 8 -6.535 -13.340 8.419
33 HG1 THR 8 HG1 THR 8 -6.255 -13.069 5.602
34 HG21 THR 8 3HG2 THR 8 -8.542 -12.801 7.092
35 HG22 THR 8 1HG2 THR 8 -7.710 -11.396 6.427
36 HG23 THR 8 2HG2 THR 8 -8.072 -11.473 8.151
37 H GLY 9 H GLY 9 -6.458 -9.541 6.975
38 HA2 GLY 9 1HA GLY 9 -5.222 -8.067 5.351
39 HA3 GLY 9 2HA GLY 9 -4.995 -9.533 4.408
40 H GLU 10 H GLU 10 -6.200 -9.368 2.636
41 HA GLU 10 HA GLU 10 -7.977 -9.039 1.253
42 HB2 GLU 10 1HB GLU 10 -9.339 -9.808 3.821
43 HB3 GLU 10 2HB GLU 10 -10.269 -9.428 2.378
44 HG2 GLU 10 1HG GLU 10 -8.085 -11.474 2.321
45 HG3 GLU 10 2HG GLU 10 -9.712 -11.879 2.864
46 H ARG 11 H ARG 11 -6.844 -6.708 2.143
47 HA ARG 11 HA ARG 11 -9.073 -4.946 2.861
48 HB2 ARG 11 1HB ARG 11 -6.096 -4.721 3.015
49 HB3 ARG 11 2HB ARG 11 -7.054 -3.250 2.907
50 HG2 ARG 11 1HG ARG 11 -8.113 -3.650 4.951
51 HG3 ARG 11 2HG ARG 11 -7.631 -5.348 4.967
52 HD2 ARG 11 1HD ARG 11 -5.260 -4.596 5.158
53 HD3 ARG 11 2HD ARG 11 -5.850 -2.943 5.325
54 HE ARG 11 HE ARG 11 -7.026 -4.744 7.215
55 HH11 ARG 11 1HH1 ARG 11 -4.250 -2.754 6.540
56 HH12 ARG 11 2HH1 ARG 11 -3.827 -2.551 8.208
57 HH21 ARG 11 1HH2 ARG 11 -6.479 -4.485 9.415
58 HH22 ARG 11 2HH2 ARG 11 -5.095 -3.537 9.842
59 HA PRO 12 HA PRO 12 -9.507 -3.271 -1.172
60 HB2 PRO 12 1HB PRO 12 -10.125 -0.687 -0.613
61 HB3 PRO 12 2HB PRO 12 -11.248 -2.024 -0.340
62 HG2 PRO 12 1HG PRO 12 -9.475 -0.611 1.614
63 HG3 PRO 12 2HG PRO 12 -11.162 -1.123 1.802
64 HD2 PRO 12 1HD PRO 12 -9.090 -2.526 2.836
65 HD3 PRO 12 2HD PRO 12 -10.580 -3.305 2.265
66 H TYR 13 H TYR 13 -7.681 -1.092 0.985
67 HA TYR 13 HA TYR 13 -6.067 -0.220 -1.292
68 HB2 TYR 13 1HB TYR 13 -5.798 0.842 1.505
69 HB3 TYR 13 2HB TYR 13 -5.440 1.645 -0.019
70 HD1 TYR 13 HD1 TYR 13 -7.341 2.397 -1.477
71 HD2 TYR 13 HD2 TYR 13 -7.941 0.995 2.495
72 HE1 TYR 13 HE1 TYR 13 -9.562 3.453 -1.446
73 HE2 TYR 13 HE2 TYR 13 -10.164 2.047 2.537
74 HH TYR 13 HH TYR 13 -11.143 4.347 0.721
75 H ILE 14 H ILE 14 -3.987 -0.771 -1.570
76 HA ILE 14 HA ILE 14 -2.471 -1.931 0.633
77 HB ILE 14 HB ILE 14 -2.918 -3.398 -1.970
78 HG12 ILE 14 1HG1 ILE 14 -3.578 -5.185 -0.117
79 HG13 ILE 14 2HG1 ILE 14 -3.918 -3.735 0.822
80 HG21 ILE 14 1HG2 ILE 14 -0.594 -3.551 -1.210
81 HG22 ILE 14 2HG2 ILE 14 -1.150 -4.124 0.362
82 HG23 ILE 14 3HG2 ILE 14 -1.425 -5.101 -1.079
83 HD11 ILE 14 3HD1 ILE 14 -5.841 -3.442 -0.226
84 HD12 ILE 14 1HD1 ILE 14 -5.058 -3.518 -1.803
85 HD13 ILE 14 2HD1 ILE 14 -5.588 -5.002 -1.010
86 H CYS 15 H CYS 15 -0.534 -1.020 0.652
87 HA CYS 15 HA CYS 15 0.413 0.697 -1.347
88 HB2 CYS 15 1HB CYS 15 1.091 0.684 1.085
89 HB3 CYS 15 2HB CYS 15 2.113 -0.703 0.721
90 H THR 16 H THR 16 1.331 0.303 -3.241
91 HA THR 16 HA THR 16 2.114 -2.401 -3.935
92 HB THR 16 HB THR 16 2.550 -1.368 -6.211
93 HG1 THR 16 HG1 THR 16 2.805 0.780 -5.752
94 HG21 THR 16 3HG2 THR 16 0.524 -2.469 -6.115
95 HG22 THR 16 1HG2 THR 16 0.001 -0.830 -6.502
96 HG23 THR 16 2HG2 THR 16 -0.107 -1.421 -4.844
97 H VAL 17 H VAL 17 3.618 0.462 -2.851
98 HA VAL 17 HA VAL 17 6.148 0.207 -4.084
99 HB VAL 17 HB VAL 17 5.432 1.484 -1.441
100 HG11 VAL 17 1HG1 VAL 17 7.671 1.469 -1.183
101 HG12 VAL 17 2HG1 VAL 17 7.974 1.199 -2.900
102 HG13 VAL 17 3HG1 VAL 17 7.608 2.822 -2.312
103 HG21 VAL 17 3HG2 VAL 17 4.253 2.749 -2.941
104 HG22 VAL 17 1HG2 VAL 17 5.816 3.562 -3.019
105 HG23 VAL 17 2HG2 VAL 17 5.359 2.405 -4.270
106 H CYS 18 H CYS 18 5.066 -0.709 -0.810
107 HA CYS 18 HA CYS 18 7.400 -2.483 -0.610
108 HB2 CYS 18 1HB CYS 18 6.979 -2.467 1.819
109 HB3 CYS 18 2HB CYS 18 7.218 -0.842 1.186
110 H GLY 19 H GLY 19 3.892 -2.378 -0.094
111 HA2 GLY 19 1HA GLY 19 2.655 -4.326 -0.992
112 HA3 GLY 19 2HA GLY 19 3.892 -5.330 -0.251
113 H LYS 20 H LYS 20 2.670 -2.516 1.387
114 HA LYS 20 HA LYS 20 1.627 -4.228 3.498
115 HB2 LYS 20 1HB LYS 20 3.139 -2.189 3.870
116 HB3 LYS 20 2HB LYS 20 1.714 -1.217 3.524
117 HG2 LYS 20 1HG LYS 20 0.592 -1.977 5.432
118 HG3 LYS 20 2HG LYS 20 1.698 -3.336 5.646
119 HD2 LYS 20 1HD LYS 20 3.515 -1.724 6.132
120 HD3 LYS 20 2HD LYS 20 2.340 -0.410 6.020
121 HE2 LYS 20 1HE LYS 20 1.162 -1.177 7.921
122 HE3 LYS 20 2HE LYS 20 2.007 -2.725 7.911
123 HZ1 LYS 20 3HZ LYS 20 3.235 -1.720 9.486
124 HZ2 LYS 20 1HZ LYS 20 2.856 -0.156 8.963
125 HZ3 LYS 20 2HZ LYS 20 4.053 -1.047 8.167
126 H ALA 21 H ALA 21 -0.469 -3.851 4.452
127 HA ALA 21 HA ALA 21 -2.434 -2.887 2.478
128 HB1 ALA 21 3HB ALA 21 -3.228 -4.749 4.658
129 HB2 ALA 21 1HB ALA 21 -3.861 -4.588 3.020
130 HB3 ALA 21 2HB ALA 21 -2.313 -5.388 3.293
131 H PHE 22 H PHE 22 -4.323 -1.816 3.271
132 HA PHE 22 HA PHE 22 -4.297 -0.895 6.030
133 HB2 PHE 22 1HB PHE 22 -4.098 0.986 3.671
134 HB3 PHE 22 2HB PHE 22 -4.513 1.493 5.305
135 HD1 PHE 22 HD2 PHE 22 -1.848 0.188 3.148
136 HD2 PHE 22 HD1 PHE 22 -2.851 1.655 7.015
137 HE1 PHE 22 HE2 PHE 22 0.544 0.415 3.678
138 HE2 PHE 22 HE1 PHE 22 -0.460 1.885 7.551
139 HZ PHE 22 HZ PHE 22 1.240 1.264 5.882
140 H THR 23 H THR 23 -6.293 -0.152 6.765
141 HA THR 23 HA THR 23 -8.560 -1.194 5.378
142 HB THR 23 HB THR 23 -9.867 -0.117 7.251
143 HG1 THR 23 HG1 THR 23 -7.434 0.325 8.578
144 HG21 THR 23 3HG2 THR 23 -9.218 -1.735 8.866
145 HG22 THR 23 1HG2 THR 23 -7.571 -1.800 8.241
146 HG23 THR 23 2HG2 THR 23 -8.902 -2.456 7.287
147 H ASP 24 H ASP 24 -7.427 2.085 6.139
148 HA ASP 24 HA ASP 24 -9.376 3.124 4.187
149 HB2 ASP 24 1HB ASP 24 -8.361 4.195 6.779
150 HB3 ASP 24 2HB ASP 24 -8.749 5.348 5.505
151 H ARG 25 H ARG 25 -8.687 4.447 2.560
152 HA ARG 25 HA ARG 25 -6.113 4.186 1.569
153 HB2 ARG 25 1HB ARG 25 -6.682 6.064 0.059
154 HB3 ARG 25 2HB ARG 25 -7.955 4.854 0.149
155 HG2 ARG 25 1HG ARG 25 -9.314 6.244 1.491
156 HG3 ARG 25 2HG ARG 25 -7.988 7.370 1.788
157 HD2 ARG 25 1HD ARG 25 -8.041 8.171 -0.432
158 HD3 ARG 25 2HD ARG 25 -9.061 6.836 -0.968
159 HE ARG 25 HE ARG 25 -10.599 8.078 0.873
160 HH11 ARG 25 1HH1 ARG 25 -8.849 9.198 -1.921
161 HH12 ARG 25 2HH1 ARG 25 -9.951 10.492 -2.255
162 HH21 ARG 25 1HH2 ARG 25 -12.057 9.779 0.444
163 HH22 ARG 25 2HH2 ARG 25 -11.775 10.823 -0.908
164 H SER 26 H SER 26 -7.487 6.719 3.606
165 HA SER 26 HA SER 26 -5.560 8.654 3.524
166 HB2 SER 26 1HB SER 26 -7.205 7.634 5.835
167 HB3 SER 26 2HB SER 26 -6.117 9.011 6.006
168 HG SER 26 HG SER 26 -8.477 8.773 4.517
169 H ASN 27 H ASN 27 -5.583 5.988 5.898
170 HA ASN 27 HA ASN 27 -3.104 6.439 7.024
171 HB2 ASN 27 1HB ASN 27 -4.440 3.769 6.523
172 HB3 ASN 27 2HB ASN 27 -3.123 4.051 7.658
173 HD21 ASN 27 1HD2 ASN 27 -5.591 2.971 8.378
174 HD22 ASN 27 2HD2 ASN 27 -6.391 4.083 9.431
175 H LEU 28 H LEU 28 -3.908 4.673 4.077
176 HA LEU 28 HA LEU 28 -1.348 3.606 3.582
177 HB2 LEU 28 1HB LEU 28 -3.266 2.733 2.443
178 HB3 LEU 28 2HB LEU 28 -3.613 4.305 1.724
179 HG LEU 28 HG LEU 28 -1.527 4.112 0.402
180 HD11 LEU 28 1HD1 LEU 28 -1.034 1.965 2.194
181 HD12 LEU 28 2HD1 LEU 28 0.012 2.612 0.931
182 HD13 LEU 28 3HD1 LEU 28 -1.122 1.314 0.557
183 HD21 LEU 28 3HD2 LEU 28 -2.573 2.981 -1.261
184 HD22 LEU 28 1HD2 LEU 28 -3.942 3.118 -0.157
185 HD23 LEU 28 2HD2 LEU 28 -3.006 1.625 -0.219
186 H ILE 29 H ILE 29 -2.931 6.525 2.290
187 HA ILE 29 HA ILE 29 -0.894 7.463 0.683
188 HB ILE 29 HB ILE 29 -2.729 9.159 2.380
189 HG12 ILE 29 1HG1 ILE 29 -3.215 8.515 -0.502
190 HG13 ILE 29 2HG1 ILE 29 -3.661 7.334 0.724
191 HG21 ILE 29 1HG2 ILE 29 -2.352 10.898 0.752
192 HG22 ILE 29 2HG2 ILE 29 -0.804 10.359 1.401
193 HG23 ILE 29 3HG2 ILE 29 -1.321 9.829 -0.199
194 HD11 ILE 29 3HD1 ILE 29 -5.470 8.482 1.308
195 HD12 ILE 29 1HD1 ILE 29 -4.591 10.010 1.358
196 HD13 ILE 29 2HD1 ILE 29 -5.219 9.403 -0.175
197 H LYS 30 H LYS 30 -1.399 8.088 4.145
198 HA LYS 30 HA LYS 30 0.890 9.729 4.458
199 HB2 LYS 30 1HB LYS 30 -0.874 9.880 6.074
200 HB3 LYS 30 2HB LYS 30 -0.764 8.164 6.440
201 HG2 LYS 30 1HG LYS 30 1.643 9.846 6.881
202 HG3 LYS 30 2HG LYS 30 0.297 9.990 8.014
203 HD2 LYS 30 1HD LYS 30 1.265 7.270 7.274
204 HD3 LYS 30 2HD LYS 30 2.223 8.234 8.400
205 HE2 LYS 30 1HE LYS 30 -0.727 7.821 8.781
206 HE3 LYS 30 2HE LYS 30 0.455 6.655 9.373
207 HZ1 LYS 30 3HZ LYS 30 1.318 8.168 10.875
208 HZ2 LYS 30 1HZ LYS 30 -0.340 8.502 10.940
209 HZ3 LYS 30 2HZ LYS 30 0.693 9.513 10.060
210 H HIS 31 H HIS 31 0.340 6.273 4.678
211 HA HIS 31 HA HIS 31 2.800 5.601 5.912
212 HB2 HIS 31 1HB HIS 31 1.269 3.878 6.060
213 HB3 HIS 31 2HB HIS 31 0.697 4.102 4.409
214 HD1 HIS 31 HD1 HIS 31 3.584 2.604 6.326
215 HD2 HIS 31 HD2 HIS 31 1.904 2.505 2.528
216 HE1 HIS 31 HE1 HIS 31 4.782 0.758 5.109
217 H GLN 32 H GLN 32 1.783 5.889 2.542
218 HA GLN 32 HA GLN 32 4.063 4.835 1.323
219 HB2 GLN 32 1HB GLN 32 2.039 6.876 0.437
220 HB3 GLN 32 2HB GLN 32 3.387 6.416 -0.595
221 HG2 GLN 32 1HG GLN 32 2.644 4.092 -0.538
222 HG3 GLN 32 2HG GLN 32 1.295 4.550 0.501
223 HE21 GLN 32 1HE2 GLN 32 -0.391 5.798 -0.365
224 HE22 GLN 32 2HE2 GLN 32 -0.666 5.884 -2.068
225 H LYS 33 H LYS 33 3.676 7.693 3.117
226 HA LYS 33 HA LYS 33 5.581 9.366 1.884
227 HB2 LYS 33 1HB LYS 33 4.724 9.239 4.782
228 HB3 LYS 33 2HB LYS 33 5.630 10.557 4.050
229 HG2 LYS 33 1HG LYS 33 2.921 9.716 3.066
230 HG3 LYS 33 2HG LYS 33 3.148 10.915 4.342
231 HD2 LYS 33 1HD LYS 33 4.092 12.456 2.908
232 HD3 LYS 33 2HD LYS 33 4.622 11.222 1.763
233 HE2 LYS 33 1HE LYS 33 2.418 10.926 0.932
234 HE3 LYS 33 2HE LYS 33 1.724 11.871 2.248
235 HZ1 LYS 33 3HZ LYS 33 1.762 13.491 0.711
236 HZ2 LYS 33 1HZ LYS 33 2.980 12.763 -0.210
237 HZ3 LYS 33 2HZ LYS 33 3.382 13.653 1.171
238 H ILE 34 H ILE 34 5.909 6.546 3.805
239 HA ILE 34 HA ILE 34 8.548 7.093 4.786
240 HB ILE 34 HB ILE 34 8.522 4.982 5.752
241 HG12 ILE 34 1HG1 ILE 34 6.511 4.143 3.652
242 HG13 ILE 34 2HG1 ILE 34 8.210 3.686 3.703
243 HG21 ILE 34 1HG2 ILE 34 6.789 5.372 7.082
244 HG22 ILE 34 2HG2 ILE 34 6.196 6.539 5.902
245 HG23 ILE 34 3HG2 ILE 34 5.657 4.862 5.830
246 HD11 ILE 34 3HD1 ILE 34 6.911 1.855 4.491
247 HD12 ILE 34 1HD1 ILE 34 7.767 2.549 5.868
248 HD13 ILE 34 2HD1 ILE 34 6.052 2.887 5.634
249 H HIS 35 H HIS 35 7.382 6.398 1.758
250 HA HIS 35 HA HIS 35 9.814 4.967 0.939
251 HB2 HIS 35 1HB HIS 35 7.270 5.408 -0.637
252 HB3 HIS 35 2HB HIS 35 8.622 4.377 -1.095
253 HD1 HIS 35 HD1 HIS 35 9.095 2.646 1.251
254 HD2 HIS 35 HD2 HIS 35 5.263 3.775 0.112
255 HE1 HIS 35 HE1 HIS 35 7.562 0.917 2.243
256 H THR 36 H THR 36 8.223 7.997 0.792
257 HA THR 36 HA THR 36 9.542 8.956 -1.575
258 HB THR 36 HB THR 36 8.556 11.087 -1.104
259 HG1 THR 36 HG1 THR 36 7.319 11.186 1.007
260 HG21 THR 36 3HG2 THR 36 6.541 10.344 -1.699
261 HG22 THR 36 1HG2 THR 36 6.245 9.721 -0.076
262 HG23 THR 36 2HG2 THR 36 7.061 8.714 -1.272
263 H GLY 37 H GLY 37 10.053 9.196 1.909
264 HA2 GLY 37 1HA GLY 37 12.463 10.812 1.441
265 HA3 GLY 37 2HA GLY 37 11.662 10.590 2.990
266 H GLU 38 H GLU 38 14.393 9.889 1.401
267 HA GLU 38 HA GLU 38 14.712 7.263 2.697
268 HB2 GLU 38 1HB GLU 38 16.062 8.460 0.281
269 HB3 GLU 38 2HB GLU 38 16.684 7.035 1.101
270 HG2 GLU 38 1HG GLU 38 14.207 6.191 0.745
271 HG3 GLU 38 2HG GLU 38 14.259 7.357 -0.575
272 H LYS 39 H LYS 39 16.753 6.805 3.711
273 HA LYS 39 HA LYS 39 18.074 9.233 4.731
274 HB2 LYS 39 1HB LYS 39 18.602 7.915 6.753
275 HB3 LYS 39 2HB LYS 39 16.871 8.066 6.486
276 HG2 LYS 39 1HG LYS 39 16.876 5.802 5.480
277 HG3 LYS 39 2HG LYS 39 18.583 5.659 5.905
278 HD2 LYS 39 1HD LYS 39 17.659 4.662 7.738
279 HD3 LYS 39 2HD LYS 39 17.662 6.336 8.297
280 HE2 LYS 39 1HE LYS 39 15.297 6.376 7.145
281 HE3 LYS 39 2HE LYS 39 15.390 4.632 7.392
282 HZ1 LYS 39 3HZ LYS 39 15.613 4.941 9.720
283 HZ2 LYS 39 1HZ LYS 39 14.304 5.892 9.225
284 HZ3 LYS 39 2HZ LYS 39 15.796 6.615 9.560
285 HA PRO 40 HA PRO 40 21.912 7.874 3.086
286 HB2 PRO 40 1HB PRO 40 23.640 8.868 4.928
287 HB3 PRO 40 2HB PRO 40 22.777 9.889 3.771
288 HG2 PRO 40 1HG PRO 40 22.147 9.331 6.644
289 HG3 PRO 40 2HG PRO 40 22.095 10.871 5.766
290 HD2 PRO 40 1HD PRO 40 19.872 9.417 6.288
291 HD3 PRO 40 2HD PRO 40 20.041 10.411 4.827
292 H SER 41 H SER 41 20.555 6.502 5.753
293 HA SER 41 HA SER 41 22.799 5.017 6.753
294 HB2 SER 41 1HB SER 41 20.713 5.618 8.076
295 HB3 SER 41 2HB SER 41 19.878 4.362 7.162
296 HG SER 41 HG SER 41 22.252 3.896 8.638
297 H GLY 42 H GLY 42 23.619 3.182 5.983
298 HA2 GLY 42 1HA GLY 42 21.931 1.395 4.394
299 HA3 GLY 42 2HA GLY 42 23.374 2.041 3.627
300 HA PRO 43 HA PRO 43 25.883 -1.104 5.358
301 HB2 PRO 43 1HB PRO 43 28.092 0.214 6.225
302 HB3 PRO 43 2HB PRO 43 27.725 -0.023 4.512
303 HG2 PRO 43 1HG PRO 43 27.266 2.384 6.233
304 HG3 PRO 43 2HG PRO 43 27.890 2.296 4.575
305 HD2 PRO 43 1HD PRO 43 25.322 2.950 5.133
306 HD3 PRO 43 2HD PRO 43 25.786 2.072 3.662
307 H SER 44 H SER 44 24.366 1.063 7.318
308 HA SER 44 HA SER 44 25.381 1.170 9.778
309 HB2 SER 44 1HB SER 44 23.172 1.100 10.696
310 HB3 SER 44 2HB SER 44 23.029 1.800 9.084
311 HG SER 44 HG SER 44 21.621 0.278 8.770
312 H SER 45 H SER 45 25.647 -0.118 11.595
313 HA SER 45 HA SER 45 26.749 -2.540 11.465
314 HB2 SER 45 1HB SER 45 24.986 -1.359 13.586
315 HB3 SER 45 2HB SER 45 25.612 -2.995 13.781
316 HG SER 45 HG SER 45 27.101 -0.605 13.448
317 H GLY 46 H GLY 46 26.192 -4.687 11.360
318 HA2 GLY 46 1HA GLY 46 23.959 -5.429 9.874
319 HA3 GLY 46 2HA GLY 46 24.933 -6.532 10.834
Start of MODEL 3
1 H1 GLY 1 H GLY 1 10.097 -11.389 4.587
2 HA2 GLY 1 1HA GLY 1 12.471 -12.952 5.097
3 HA3 GLY 1 2HA GLY 1 11.175 -12.617 6.235
4 H SER 2 H SER 2 11.178 -14.782 6.937
5 HA SER 2 HA SER 2 10.752 -16.946 5.117
6 HB2 SER 2 1HB SER 2 11.882 -17.233 7.308
7 HB3 SER 2 2HB SER 2 10.357 -16.877 8.119
8 HG SER 2 HG SER 2 10.901 -19.058 6.386
9 H SER 3 H SER 3 8.908 -16.371 3.928
10 HA SER 3 HA SER 3 6.400 -15.916 5.294
11 HB2 SER 3 1HB SER 3 7.061 -14.791 3.122
12 HB3 SER 3 2HB SER 3 6.820 -16.350 2.332
13 HG SER 3 HG SER 3 4.653 -16.108 3.597
14 H GLY 4 H GLY 4 5.218 -17.525 6.072
15 HA2 GLY 4 1HA GLY 4 4.898 -19.957 4.474
16 HA3 GLY 4 2HA GLY 4 5.499 -20.137 6.116
17 H SER 5 H SER 5 4.124 -19.624 7.874
18 HA SER 5 HA SER 5 1.313 -20.034 7.238
19 HB2 SER 5 1HB SER 5 2.859 -20.100 9.834
20 HB3 SER 5 2HB SER 5 1.106 -20.280 9.752
21 HG SER 5 HG SER 5 1.857 -21.980 8.044
22 H SER 6 H SER 6 0.220 -18.240 6.752
23 HA SER 6 HA SER 6 0.167 -16.079 8.704
24 HB2 SER 6 1HB SER 6 1.843 -15.236 7.212
25 HB3 SER 6 2HB SER 6 0.893 -15.685 5.796
26 HG SER 6 HG SER 6 0.876 -13.382 6.627
27 H GLY 7 H GLY 7 -1.854 -15.406 9.046
28 HA2 GLY 7 1HA GLY 7 -4.081 -16.619 7.923
29 HA3 GLY 7 2HA GLY 7 -4.110 -15.081 8.773
30 H THR 8 H THR 8 -5.933 -15.114 6.980
31 HA THR 8 HA THR 8 -4.806 -13.845 4.568
32 HB THR 8 HB THR 8 -6.024 -15.927 4.068
33 HG1 THR 8 HG1 THR 8 -6.256 -14.626 2.372
34 HG21 THR 8 3HG2 THR 8 -7.612 -16.011 5.862
35 HG22 THR 8 1HG2 THR 8 -8.512 -15.920 4.348
36 HG23 THR 8 2HG2 THR 8 -8.338 -14.485 5.359
37 H GLY 9 H GLY 9 -6.094 -12.112 3.614
38 HA2 GLY 9 1HA GLY 9 -8.299 -10.859 4.598
39 HA3 GLY 9 2HA GLY 9 -7.010 -10.288 5.647
40 H GLU 10 H GLU 10 -7.886 -10.598 2.217
41 HA GLU 10 HA GLU 10 -5.967 -8.697 1.325
42 HB2 GLU 10 1HB GLU 10 -7.297 -10.555 0.019
43 HB3 GLU 10 2HB GLU 10 -8.469 -9.266 -0.212
44 HG2 GLU 10 1HG GLU 10 -6.828 -9.549 -2.068
45 HG3 GLU 10 2HG GLU 10 -6.903 -7.928 -1.381
46 H ARG 11 H ARG 11 -6.103 -6.538 1.060
47 HA ARG 11 HA ARG 11 -8.641 -5.247 1.818
48 HB2 ARG 11 1HB ARG 11 -5.829 -4.219 2.242
49 HB3 ARG 11 2HB ARG 11 -7.307 -3.376 2.686
50 HG2 ARG 11 1HG ARG 11 -7.737 -5.614 4.037
51 HG3 ARG 11 2HG ARG 11 -5.974 -5.685 3.978
52 HD2 ARG 11 1HD ARG 11 -6.229 -4.469 5.888
53 HD3 ARG 11 2HD ARG 11 -6.215 -3.154 4.714
54 HE ARG 11 HE ARG 11 -8.424 -2.747 5.184
55 HH11 ARG 11 1HH1 ARG 11 -7.501 -5.826 6.520
56 HH12 ARG 11 2HH1 ARG 11 -8.972 -6.027 7.414
57 HH21 ARG 11 1HH2 ARG 11 -10.365 -2.999 6.356
58 HH22 ARG 11 2HH2 ARG 11 -10.600 -4.418 7.319
59 HA PRO 12 HA PRO 12 -8.714 -3.196 -2.063
60 HB2 PRO 12 1HB PRO 12 -9.912 -0.856 -1.387
61 HB3 PRO 12 2HB PRO 12 -10.780 -2.393 -1.460
62 HG2 PRO 12 1HG PRO 12 -9.672 -0.955 0.920
63 HG3 PRO 12 2HG PRO 12 -11.233 -1.775 0.736
64 HD2 PRO 12 1HD PRO 12 -9.129 -2.914 2.005
65 HD3 PRO 12 2HD PRO 12 -10.320 -3.862 1.091
66 H TYR 13 H TYR 13 -7.439 -1.364 0.679
67 HA TYR 13 HA TYR 13 -5.866 0.298 -1.154
68 HB2 TYR 13 1HB TYR 13 -6.033 0.643 1.834
69 HB3 TYR 13 2HB TYR 13 -5.584 1.836 0.620
70 HD1 TYR 13 HD1 TYR 13 -7.502 2.319 -1.169
71 HD2 TYR 13 HD2 TYR 13 -8.146 0.783 2.746
72 HE1 TYR 13 HE1 TYR 13 -9.824 3.126 -1.241
73 HE2 TYR 13 HE2 TYR 13 -10.471 1.584 2.685
74 HH TYR 13 HH TYR 13 -12.186 2.104 0.661
75 H ILE 14 H ILE 14 -4.105 -0.854 -1.742
76 HA ILE 14 HA ILE 14 -2.398 -1.891 0.426
77 HB ILE 14 HB ILE 14 -2.253 -2.941 -2.380
78 HG12 ILE 14 1HG1 ILE 14 -4.532 -3.348 -1.883
79 HG13 ILE 14 2HG1 ILE 14 -3.701 -4.853 -1.506
80 HG21 ILE 14 1HG2 ILE 14 -1.692 -4.370 0.200
81 HG22 ILE 14 2HG2 ILE 14 -1.128 -4.764 -1.423
82 HG23 ILE 14 3HG2 ILE 14 -0.487 -3.350 -0.586
83 HD11 ILE 14 3HD1 ILE 14 -3.651 -3.447 0.872
84 HD12 ILE 14 1HD1 ILE 14 -5.247 -3.113 0.202
85 HD13 ILE 14 2HD1 ILE 14 -4.728 -4.779 0.456
86 H CYS 15 H CYS 15 -0.149 -1.625 0.215
87 HA CYS 15 HA CYS 15 0.599 0.735 -1.301
88 HB2 CYS 15 1HB CYS 15 1.294 0.497 1.057
89 HB3 CYS 15 2HB CYS 15 2.223 -0.936 0.629
90 H THR 16 H THR 16 1.249 0.525 -3.331
91 HA THR 16 HA THR 16 2.334 -1.975 -4.308
92 HB THR 16 HB THR 16 0.731 -0.618 -5.660
93 HG1 THR 16 HG1 THR 16 2.076 -0.789 -7.618
94 HG21 THR 16 3HG2 THR 16 2.982 1.196 -6.403
95 HG22 THR 16 1HG2 THR 16 2.028 1.559 -4.966
96 HG23 THR 16 2HG2 THR 16 1.243 1.449 -6.541
97 H VAL 17 H VAL 17 3.891 -0.432 -2.359
98 HA VAL 17 HA VAL 17 6.299 0.041 -3.995
99 HB VAL 17 HB VAL 17 5.548 1.437 -1.422
100 HG11 VAL 17 1HG1 VAL 17 7.962 1.757 -3.203
101 HG12 VAL 17 2HG1 VAL 17 7.564 2.788 -1.827
102 HG13 VAL 17 3HG1 VAL 17 7.944 1.084 -1.573
103 HG21 VAL 17 3HG2 VAL 17 4.278 2.598 -2.904
104 HG22 VAL 17 1HG2 VAL 17 5.813 3.417 -3.192
105 HG23 VAL 17 2HG2 VAL 17 5.275 2.143 -4.285
106 H CYS 18 H CYS 18 5.094 -0.957 -0.808
107 HA CYS 18 HA CYS 18 7.551 -2.547 -0.466
108 HB2 CYS 18 1HB CYS 18 7.172 -2.391 1.959
109 HB3 CYS 18 2HB CYS 18 7.336 -0.796 1.230
110 H GLY 19 H GLY 19 4.041 -2.499 -0.065
111 HA2 GLY 19 1HA GLY 19 2.796 -4.476 -0.734
112 HA3 GLY 19 2HA GLY 19 4.103 -5.450 -0.076
113 H LYS 20 H LYS 20 2.013 -2.812 1.111
114 HA LYS 20 HA LYS 20 1.425 -4.488 3.462
115 HB2 LYS 20 1HB LYS 20 2.248 -1.637 3.266
116 HB3 LYS 20 2HB LYS 20 1.051 -2.048 4.487
117 HG2 LYS 20 1HG LYS 20 2.562 -3.643 5.488
118 HG3 LYS 20 2HG LYS 20 3.750 -3.354 4.215
119 HD2 LYS 20 1HD LYS 20 3.491 -0.854 5.027
120 HD3 LYS 20 2HD LYS 20 2.970 -1.638 6.520
121 HE2 LYS 20 1HE LYS 20 5.532 -2.328 5.098
122 HE3 LYS 20 2HE LYS 20 5.429 -1.100 6.359
123 HZ1 LYS 20 3HZ LYS 20 4.896 -2.685 7.959
124 HZ2 LYS 20 1HZ LYS 20 6.101 -3.440 7.043
125 HZ3 LYS 20 2HZ LYS 20 4.478 -3.860 6.816
126 H ALA 21 H ALA 21 -0.609 -3.685 4.621
127 HA ALA 21 HA ALA 21 -2.638 -2.928 2.620
128 HB1 ALA 21 3HB ALA 21 -3.550 -4.929 2.965
129 HB2 ALA 21 1HB ALA 21 -2.487 -5.256 4.334
130 HB3 ALA 21 2HB ALA 21 -3.985 -4.358 4.576
131 H PHE 22 H PHE 22 -4.512 -1.811 3.446
132 HA PHE 22 HA PHE 22 -4.407 -0.730 6.126
133 HB2 PHE 22 1HB PHE 22 -4.310 1.190 3.797
134 HB3 PHE 22 2HB PHE 22 -4.242 1.581 5.512
135 HD1 PHE 22 HD2 PHE 22 -2.393 -0.265 2.866
136 HD2 PHE 22 HD1 PHE 22 -2.194 1.856 6.550
137 HE1 PHE 22 HE2 PHE 22 0.064 -0.360 2.783
138 HE2 PHE 22 HE1 PHE 22 0.263 1.766 6.474
139 HZ PHE 22 HZ PHE 22 1.395 0.656 4.589
140 H THR 23 H THR 23 -6.383 -0.102 6.861
141 HA THR 23 HA THR 23 -8.658 -0.798 5.231
142 HB THR 23 HB THR 23 -8.711 0.408 7.999
143 HG1 THR 23 HG1 THR 23 -8.987 -2.013 8.457
144 HG21 THR 23 3HG2 THR 23 -10.885 0.430 7.118
145 HG22 THR 23 1HG2 THR 23 -10.821 -1.053 8.070
146 HG23 THR 23 2HG2 THR 23 -10.672 -1.124 6.314
147 H ASP 24 H ASP 24 -7.316 2.143 6.667
148 HA ASP 24 HA ASP 24 -9.387 3.748 5.367
149 HB2 ASP 24 1HB ASP 24 -8.540 4.044 7.821
150 HB3 ASP 24 2HB ASP 24 -7.196 4.894 7.065
151 H ARG 25 H ARG 25 -8.990 4.271 3.321
152 HA ARG 25 HA ARG 25 -6.766 4.091 1.831
153 HB2 ARG 25 1HB ARG 25 -8.706 4.764 0.701
154 HB3 ARG 25 2HB ARG 25 -8.953 6.147 1.759
155 HG2 ARG 25 1HG ARG 25 -7.158 7.341 0.743
156 HG3 ARG 25 2HG ARG 25 -6.659 5.916 -0.172
157 HD2 ARG 25 1HD ARG 25 -9.343 7.251 -0.473
158 HD3 ARG 25 2HD ARG 25 -7.947 7.622 -1.482
159 HE ARG 25 HE ARG 25 -9.671 5.371 -1.718
160 HH11 ARG 25 1HH1 ARG 25 -6.371 6.407 -2.120
161 HH12 ARG 25 2HH1 ARG 25 -6.007 5.216 -3.324
162 HH21 ARG 25 1HH2 ARG 25 -9.203 3.798 -3.302
163 HH22 ARG 25 2HH2 ARG 25 -7.618 3.733 -3.996
164 H SER 26 H SER 26 -7.499 6.722 4.058
165 HA SER 26 HA SER 26 -5.403 8.447 3.351
166 HB2 SER 26 1HB SER 26 -6.938 8.054 5.917
167 HB3 SER 26 2HB SER 26 -5.676 9.276 5.764
168 HG SER 26 HG SER 26 -7.020 9.804 3.735
169 H ASN 27 H ASN 27 -5.566 5.939 5.869
170 HA ASN 27 HA ASN 27 -3.027 6.253 6.940
171 HB2 ASN 27 1HB ASN 27 -4.897 3.922 6.710
172 HB3 ASN 27 2HB ASN 27 -3.274 3.670 7.345
173 HD21 ASN 27 1HD2 ASN 27 -3.199 3.696 9.459
174 HD22 ASN 27 2HD2 ASN 27 -4.181 4.657 10.508
175 H LEU 28 H LEU 28 -4.019 4.797 3.943
176 HA LEU 28 HA LEU 28 -1.538 3.426 3.471
177 HB2 LEU 28 1HB LEU 28 -3.455 2.498 2.451
178 HB3 LEU 28 2HB LEU 28 -3.931 4.050 1.764
179 HG LEU 28 HG LEU 28 -1.899 3.912 0.293
180 HD11 LEU 28 1HD1 LEU 28 -0.562 2.356 1.537
181 HD12 LEU 28 2HD1 LEU 28 -0.949 1.642 -0.028
182 HD13 LEU 28 3HD1 LEU 28 -1.812 1.117 1.417
183 HD21 LEU 28 3HD2 LEU 28 -4.308 3.194 -0.271
184 HD22 LEU 28 1HD2 LEU 28 -3.684 1.548 -0.154
185 HD23 LEU 28 2HD2 LEU 28 -3.002 2.668 -1.333
186 H ILE 29 H ILE 29 -3.002 6.474 2.457
187 HA ILE 29 HA ILE 29 -0.914 7.178 0.647
188 HB ILE 29 HB ILE 29 -2.854 9.048 2.006
189 HG12 ILE 29 1HG1 ILE 29 -3.254 7.836 -0.716
190 HG13 ILE 29 2HG1 ILE 29 -3.812 7.001 0.730
191 HG21 ILE 29 1HG2 ILE 29 -2.395 10.575 0.284
192 HG22 ILE 29 2HG2 ILE 29 -0.819 9.950 0.766
193 HG23 ILE 29 3HG2 ILE 29 -1.592 9.352 -0.702
194 HD11 ILE 29 3HD1 ILE 29 -5.384 8.604 -0.628
195 HD12 ILE 29 1HD1 ILE 29 -5.463 8.516 1.131
196 HD13 ILE 29 2HD1 ILE 29 -4.595 9.839 0.352
197 H LYS 30 H LYS 30 -1.501 7.683 4.059
198 HA LYS 30 HA LYS 30 0.607 9.614 4.378
199 HB2 LYS 30 1HB LYS 30 -0.067 9.786 6.570
200 HB3 LYS 30 2HB LYS 30 -1.551 9.200 5.830
201 HG2 LYS 30 1HG LYS 30 -0.924 6.901 6.503
202 HG3 LYS 30 2HG LYS 30 0.477 7.569 7.344
203 HD2 LYS 30 1HD LYS 30 -2.309 8.527 7.924
204 HD3 LYS 30 2HD LYS 30 -1.640 7.099 8.717
205 HE2 LYS 30 1HE LYS 30 -1.031 8.688 10.234
206 HE3 LYS 30 2HE LYS 30 0.378 8.748 9.174
207 HZ1 LYS 30 3HZ LYS 30 -1.644 10.742 9.654
208 HZ2 LYS 30 1HZ LYS 30 -1.307 10.504 8.013
209 HZ3 LYS 30 2HZ LYS 30 -0.062 10.920 9.080
210 H HIS 31 H HIS 31 0.353 6.182 4.358
211 HA HIS 31 HA HIS 31 2.775 5.710 5.849
212 HB2 HIS 31 1HB HIS 31 1.376 3.898 6.085
213 HB3 HIS 31 2HB HIS 31 0.766 4.018 4.437
214 HD1 HIS 31 HD1 HIS 31 3.557 2.560 6.452
215 HD2 HIS 31 HD2 HIS 31 2.237 2.619 2.513
216 HE1 HIS 31 HE1 HIS 31 4.890 0.785 5.269
217 H GLN 32 H GLN 32 1.789 5.629 2.447
218 HA GLN 32 HA GLN 32 4.125 4.668 1.312
219 HB2 GLN 32 1HB GLN 32 2.073 6.623 0.293
220 HB3 GLN 32 2HB GLN 32 3.427 6.095 -0.696
221 HG2 GLN 32 1HG GLN 32 2.685 3.835 -0.644
222 HG3 GLN 32 2HG GLN 32 1.457 4.208 0.565
223 HE21 GLN 32 1HE2 GLN 32 1.258 3.045 -2.143
224 HE22 GLN 32 2HE2 GLN 32 0.130 4.044 -2.989
225 H LYS 33 H LYS 33 3.639 7.571 2.991
226 HA LYS 33 HA LYS 33 5.432 9.306 1.715
227 HB2 LYS 33 1HB LYS 33 4.487 9.085 4.566
228 HB3 LYS 33 2HB LYS 33 5.625 10.329 4.065
229 HG2 LYS 33 1HG LYS 33 4.007 11.196 2.473
230 HG3 LYS 33 2HG LYS 33 2.868 9.925 2.921
231 HD2 LYS 33 1HD LYS 33 2.715 10.794 5.168
232 HD3 LYS 33 2HD LYS 33 3.968 11.990 4.826
233 HE2 LYS 33 1HE LYS 33 1.438 11.886 3.220
234 HE3 LYS 33 2HE LYS 33 1.501 12.733 4.764
235 HZ1 LYS 33 3HZ LYS 33 3.198 14.165 3.933
236 HZ2 LYS 33 1HZ LYS 33 1.933 14.163 2.808
237 HZ3 LYS 33 2HZ LYS 33 3.341 13.277 2.500
238 H ILE 34 H ILE 34 5.947 6.656 3.930
239 HA ILE 34 HA ILE 34 8.558 7.235 4.758
240 HB ILE 34 HB ILE 34 8.765 4.940 5.386
241 HG12 ILE 34 1HG1 ILE 34 6.384 4.401 3.596
242 HG13 ILE 34 2HG1 ILE 34 8.048 3.935 3.259
243 HG21 ILE 34 1HG2 ILE 34 6.454 6.497 5.998
244 HG22 ILE 34 2HG2 ILE 34 6.016 4.789 6.004
245 HG23 ILE 34 3HG2 ILE 34 7.333 5.364 7.026
246 HD11 ILE 34 3HD1 ILE 34 6.081 2.750 5.120
247 HD12 ILE 34 1HD1 ILE 34 7.286 1.976 4.091
248 HD13 ILE 34 2HD1 ILE 34 7.776 2.734 5.607
249 H HIS 35 H HIS 35 7.324 5.842 1.800
250 HA HIS 35 HA HIS 35 9.956 5.054 0.876
251 HB2 HIS 35 1HB HIS 35 7.401 5.117 -0.730
252 HB3 HIS 35 2HB HIS 35 8.853 4.174 -1.052
253 HD1 HIS 35 HD1 HIS 35 9.390 2.497 1.200
254 HD2 HIS 35 HD2 HIS 35 5.473 3.555 0.309
255 HE1 HIS 35 HE1 HIS 35 7.954 0.767 2.327
256 H THR 36 H THR 36 7.918 7.805 0.740
257 HA THR 36 HA THR 36 9.630 8.995 -1.344
258 HB THR 36 HB THR 36 7.272 8.793 -2.050
259 HG1 THR 36 HG1 THR 36 7.975 10.526 -3.065
260 HG21 THR 36 3HG2 THR 36 5.808 10.647 -0.803
261 HG22 THR 36 1HG2 THR 36 6.836 10.164 0.544
262 HG23 THR 36 2HG2 THR 36 5.844 8.963 -0.283
263 H GLY 37 H GLY 37 10.367 8.935 1.390
264 HA2 GLY 37 1HA GLY 37 10.601 11.799 1.851
265 HA3 GLY 37 2HA GLY 37 9.788 10.887 3.114
266 H GLU 38 H GLU 38 11.023 8.995 3.990
267 HA GLU 38 HA GLU 38 13.897 9.639 4.092
268 HB2 GLU 38 1HB GLU 38 12.740 10.141 6.201
269 HB3 GLU 38 2HB GLU 38 12.159 8.484 6.279
270 HG2 GLU 38 1HG GLU 38 15.088 8.990 6.105
271 HG3 GLU 38 2HG GLU 38 14.255 9.230 7.640
272 H LYS 39 H LYS 39 14.750 8.192 2.692
273 HA LYS 39 HA LYS 39 13.982 5.724 1.939
274 HB2 LYS 39 1HB LYS 39 16.256 5.213 1.401
275 HB3 LYS 39 2HB LYS 39 16.037 6.943 1.173
276 HG2 LYS 39 1HG LYS 39 16.983 7.209 3.521
277 HG3 LYS 39 2HG LYS 39 17.479 5.520 3.385
278 HD2 LYS 39 1HD LYS 39 18.523 6.305 1.125
279 HD3 LYS 39 2HD LYS 39 18.427 7.909 1.855
280 HE2 LYS 39 1HE LYS 39 20.574 7.116 2.389
281 HE3 LYS 39 2HE LYS 39 19.624 6.897 3.858
282 HZ1 LYS 39 3HZ LYS 39 21.003 4.959 2.348
283 HZ2 LYS 39 1HZ LYS 39 19.355 4.574 2.360
284 HZ3 LYS 39 2HZ LYS 39 20.188 4.772 3.819
285 HA PRO 40 HA PRO 40 13.940 3.072 5.452
286 HB2 PRO 40 1HB PRO 40 14.203 0.681 4.194
287 HB3 PRO 40 2HB PRO 40 12.709 1.625 4.159
288 HG2 PRO 40 1HG PRO 40 14.871 1.422 2.098
289 HG3 PRO 40 2HG PRO 40 13.111 1.418 1.878
290 HD2 PRO 40 1HD PRO 40 14.627 3.620 1.449
291 HD3 PRO 40 2HD PRO 40 12.958 3.711 2.047
292 H SER 41 H SER 41 15.600 2.965 6.824
293 HA SER 41 HA SER 41 18.143 1.827 5.861
294 HB2 SER 41 1HB SER 41 17.608 4.098 7.761
295 HB3 SER 41 2HB SER 41 19.129 3.207 7.821
296 HG SER 41 HG SER 41 18.060 4.650 5.626
297 H GLY 42 H GLY 42 18.277 -0.196 6.591
298 HA2 GLY 42 1HA GLY 42 17.950 -2.033 7.967
299 HA3 GLY 42 2HA GLY 42 18.785 -0.993 9.112
300 HA PRO 43 HA PRO 43 13.998 -0.611 9.886
301 HB2 PRO 43 1HB PRO 43 12.526 -2.678 8.922
302 HB3 PRO 43 2HB PRO 43 12.821 -1.198 8.002
303 HG2 PRO 43 1HG PRO 43 14.194 -3.851 7.812
304 HG3 PRO 43 2HG PRO 43 13.655 -2.775 6.510
305 HD2 PRO 43 1HD PRO 43 16.234 -2.898 7.324
306 HD3 PRO 43 2HD PRO 43 15.497 -1.404 6.709
307 H SER 44 H SER 44 12.876 -1.512 11.641
308 HA SER 44 HA SER 44 13.651 -4.155 12.587
309 HB2 SER 44 1HB SER 44 15.261 -2.334 13.489
310 HB3 SER 44 2HB SER 44 13.899 -1.841 14.495
311 HG SER 44 HG SER 44 13.907 -3.832 15.467
312 H SER 45 H SER 45 12.321 -4.909 14.372
313 HA SER 45 HA SER 45 10.337 -5.234 15.439
314 HB2 SER 45 1HB SER 45 9.776 -2.301 14.968
315 HB3 SER 45 2HB SER 45 9.085 -3.338 16.215
316 HG SER 45 HG SER 45 11.559 -3.570 16.683
317 H GLY 46 H GLY 46 10.436 -5.914 12.787
318 HA2 GLY 46 1HA GLY 46 7.771 -5.106 11.798
319 HA3 GLY 46 2HA GLY 46 9.116 -5.507 10.740
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -6.043 -19.757 -6.789
2 HA2 GLY 1 1HA GLY 1 -6.717 -21.249 -4.997
3 HA3 GLY 1 2HA GLY 1 -6.491 -22.216 -6.447
4 H SER 2 H SER 2 -4.674 -20.956 -3.659
5 HA SER 2 HA SER 2 -2.836 -23.214 -3.841
6 HB2 SER 2 1HB SER 2 -1.775 -21.091 -3.466
7 HB3 SER 2 2HB SER 2 -2.847 -20.732 -2.113
8 HG SER 2 HG SER 2 -1.885 -22.480 -0.993
9 H SER 3 H SER 3 -2.445 -24.635 -2.097
10 HA SER 3 HA SER 3 -4.773 -25.519 -0.760
11 HB2 SER 3 1HB SER 3 -1.870 -26.241 -0.291
12 HB3 SER 3 2HB SER 3 -3.249 -27.112 0.381
13 HG SER 3 HG SER 3 -3.915 -27.345 -1.905
14 H GLY 4 H GLY 4 -1.870 -23.818 0.381
15 HA2 GLY 4 1HA GLY 4 -3.084 -23.503 3.025
16 HA3 GLY 4 2HA GLY 4 -1.426 -23.112 2.592
17 H SER 5 H SER 5 -4.482 -21.874 3.215
18 HA SER 5 HA SER 5 -3.701 -19.264 2.091
19 HB2 SER 5 1HB SER 5 -5.977 -18.764 1.580
20 HB3 SER 5 2HB SER 5 -5.676 -20.385 0.952
21 HG SER 5 HG SER 5 -6.802 -21.248 2.637
22 H SER 6 H SER 6 -3.259 -17.842 3.625
23 HA SER 6 HA SER 6 -4.249 -18.261 6.330
24 HB2 SER 6 1HB SER 6 -1.870 -17.738 6.019
25 HB3 SER 6 2HB SER 6 -2.299 -16.214 5.243
26 HG SER 6 HG SER 6 -3.551 -16.025 7.427
27 H GLY 7 H GLY 7 -4.210 -15.644 3.911
28 HA2 GLY 7 1HA GLY 7 -5.618 -13.860 3.591
29 HA3 GLY 7 2HA GLY 7 -6.861 -14.858 4.332
30 H THR 8 H THR 8 -7.354 -14.600 6.503
31 HA THR 8 HA THR 8 -7.513 -13.562 8.529
32 HB THR 8 HB THR 8 -4.876 -12.214 7.941
33 HG1 THR 8 HG1 THR 8 -4.177 -14.146 9.314
34 HG21 THR 8 3HG2 THR 8 -5.110 -12.938 10.636
35 HG22 THR 8 1HG2 THR 8 -6.680 -12.272 10.189
36 HG23 THR 8 2HG2 THR 8 -5.217 -11.315 9.954
37 H GLY 9 H GLY 9 -8.738 -12.436 6.265
38 HA2 GLY 9 1HA GLY 9 -10.088 -10.502 6.153
39 HA3 GLY 9 2HA GLY 9 -8.925 -9.660 7.166
40 H GLU 10 H GLU 10 -10.224 -9.413 4.300
41 HA GLU 10 HA GLU 10 -7.733 -8.894 2.835
42 HB2 GLU 10 1HB GLU 10 -9.147 -8.799 0.825
43 HB3 GLU 10 2HB GLU 10 -9.323 -10.327 1.676
44 HG2 GLU 10 1HG GLU 10 -11.351 -9.115 2.801
45 HG3 GLU 10 2HG GLU 10 -11.263 -8.094 1.367
46 H ARG 11 H ARG 11 -7.076 -6.880 2.434
47 HA ARG 11 HA ARG 11 -8.814 -4.674 3.269
48 HB2 ARG 11 1HB ARG 11 -5.837 -4.851 2.805
49 HB3 ARG 11 2HB ARG 11 -6.672 -3.335 3.116
50 HG2 ARG 11 1HG ARG 11 -6.960 -5.627 5.010
51 HG3 ARG 11 2HG ARG 11 -5.536 -4.587 5.069
52 HD2 ARG 11 1HD ARG 11 -6.783 -2.707 5.644
53 HD3 ARG 11 2HD ARG 11 -8.290 -3.412 5.060
54 HE ARG 11 HE ARG 11 -8.578 -4.396 7.106
55 HH11 ARG 11 1HH1 ARG 11 -5.273 -3.345 6.803
56 HH12 ARG 11 2HH1 ARG 11 -4.875 -3.691 8.453
57 HH21 ARG 11 1HH2 ARG 11 -8.067 -4.855 9.281
58 HH22 ARG 11 2HH2 ARG 11 -6.465 -4.550 9.862
59 HA PRO 12 HA PRO 12 -9.574 -3.414 -0.879
60 HB2 PRO 12 1HB PRO 12 -10.133 -0.794 -0.438
61 HB3 PRO 12 2HB PRO 12 -11.247 -2.098 -0.013
62 HG2 PRO 12 1HG PRO 12 -9.339 -0.593 1.734
63 HG3 PRO 12 2HG PRO 12 -11.014 -1.072 2.060
64 HD2 PRO 12 1HD PRO 12 -8.891 -2.436 3.042
65 HD3 PRO 12 2HD PRO 12 -10.422 -3.229 2.616
66 H TYR 13 H TYR 13 -7.649 -1.058 0.992
67 HA TYR 13 HA TYR 13 -6.163 -0.368 -1.423
68 HB2 TYR 13 1HB TYR 13 -5.734 0.852 1.293
69 HB3 TYR 13 2HB TYR 13 -5.420 1.556 -0.290
70 HD1 TYR 13 HD1 TYR 13 -7.258 2.457 -1.638
71 HD2 TYR 13 HD2 TYR 13 -7.937 0.912 2.268
72 HE1 TYR 13 HE1 TYR 13 -9.455 3.562 -1.589
73 HE2 TYR 13 HE2 TYR 13 -10.136 2.012 2.327
74 HH TYR 13 HH TYR 13 -11.569 3.408 -0.462
75 H ILE 14 H ILE 14 -4.070 -0.874 -1.775
76 HA ILE 14 HA ILE 14 -2.533 -2.115 0.392
77 HB ILE 14 HB ILE 14 -2.944 -3.304 -2.350
78 HG12 ILE 14 1HG1 ILE 14 -3.433 -5.334 -0.772
79 HG13 ILE 14 2HG1 ILE 14 -3.678 -4.091 0.450
80 HG21 ILE 14 1HG2 ILE 14 -1.273 -4.944 -1.820
81 HG22 ILE 14 2HG2 ILE 14 -0.561 -3.340 -1.656
82 HG23 ILE 14 3HG2 ILE 14 -1.034 -4.245 -0.219
83 HD11 ILE 14 3HD1 ILE 14 -5.630 -5.046 -1.104
84 HD12 ILE 14 1HD1 ILE 14 -5.625 -3.410 -0.446
85 HD13 ILE 14 2HD1 ILE 14 -5.091 -3.696 -2.103
86 H CYS 15 H CYS 15 -0.641 -1.132 0.581
87 HA CYS 15 HA CYS 15 0.316 0.852 -1.106
88 HB2 CYS 15 1HB CYS 15 1.004 0.316 1.304
89 HB3 CYS 15 2HB CYS 15 2.115 -0.857 0.606
90 H THR 16 H THR 16 0.914 0.665 -3.154
91 HA THR 16 HA THR 16 1.982 -1.839 -4.168
92 HB THR 16 HB THR 16 1.780 -0.876 -6.369
93 HG1 THR 16 HG1 THR 16 1.492 1.532 -4.919
94 HG21 THR 16 3HG2 THR 16 -0.286 -1.719 -5.455
95 HG22 THR 16 1HG2 THR 16 -0.630 -0.258 -6.380
96 HG23 THR 16 2HG2 THR 16 -0.583 -0.196 -4.618
97 H VAL 17 H VAL 17 3.685 -0.606 -2.326
98 HA VAL 17 HA VAL 17 5.956 0.077 -4.069
99 HB VAL 17 HB VAL 17 5.275 1.400 -1.441
100 HG11 VAL 17 1HG1 VAL 17 7.309 2.684 -1.710
101 HG12 VAL 17 2HG1 VAL 17 7.691 0.961 -1.682
102 HG13 VAL 17 3HG1 VAL 17 7.677 1.838 -3.213
103 HG21 VAL 17 3HG2 VAL 17 4.085 2.111 -3.592
104 HG22 VAL 17 1HG2 VAL 17 4.884 3.369 -2.649
105 HG23 VAL 17 2HG2 VAL 17 5.653 2.735 -4.104
106 H CYS 18 H CYS 18 4.966 -1.006 -0.834
107 HA CYS 18 HA CYS 18 7.451 -2.582 -0.689
108 HB2 CYS 18 1HB CYS 18 7.152 -2.524 1.776
109 HB3 CYS 18 2HB CYS 18 7.367 -0.923 1.075
110 H GLY 19 H GLY 19 3.969 -2.597 -0.118
111 HA2 GLY 19 1HA GLY 19 2.824 -4.662 -0.865
112 HA3 GLY 19 2HA GLY 19 4.092 -5.549 -0.032
113 H LYS 20 H LYS 20 2.474 -2.668 1.184
114 HA LYS 20 HA LYS 20 1.505 -4.265 3.450
115 HB2 LYS 20 1HB LYS 20 3.016 -2.311 3.887
116 HB3 LYS 20 2HB LYS 20 1.756 -1.260 3.255
117 HG2 LYS 20 1HG LYS 20 0.419 -1.525 5.084
118 HG3 LYS 20 2HG LYS 20 1.050 -3.133 5.450
119 HD2 LYS 20 1HD LYS 20 2.847 -0.758 5.686
120 HD3 LYS 20 2HD LYS 20 1.672 -1.088 6.962
121 HE2 LYS 20 1HE LYS 20 2.602 -3.421 7.068
122 HE3 LYS 20 2HE LYS 20 3.884 -2.884 5.983
123 HZ1 LYS 20 3HZ LYS 20 3.606 -1.101 8.171
124 HZ2 LYS 20 1HZ LYS 20 4.964 -1.980 7.676
125 HZ3 LYS 20 2HZ LYS 20 3.841 -2.679 8.730
126 H ALA 21 H ALA 21 -0.601 -3.656 4.382
127 HA ALA 21 HA ALA 21 -2.490 -2.698 2.333
128 HB1 ALA 21 3HB ALA 21 -3.877 -4.468 2.594
129 HB2 ALA 21 1HB ALA 21 -2.375 -5.272 3.050
130 HB3 ALA 21 2HB ALA 21 -3.471 -4.677 4.297
131 H PHE 22 H PHE 22 -4.104 -1.347 3.000
132 HA PHE 22 HA PHE 22 -4.308 -0.760 5.869
133 HB2 PHE 22 1HB PHE 22 -4.039 1.314 3.683
134 HB3 PHE 22 2HB PHE 22 -4.374 1.660 5.376
135 HD1 PHE 22 HD2 PHE 22 -1.851 0.246 3.072
136 HD2 PHE 22 HD1 PHE 22 -2.640 1.826 6.944
137 HE1 PHE 22 HE2 PHE 22 0.566 0.327 3.527
138 HE2 PHE 22 HE1 PHE 22 -0.225 1.910 7.406
139 HZ PHE 22 HZ PHE 22 1.382 1.159 5.697
140 H THR 23 H THR 23 -6.339 -0.514 6.588
141 HA THR 23 HA THR 23 -8.522 -1.087 4.850
142 HB THR 23 HB THR 23 -8.586 -1.836 7.161
143 HG1 THR 23 HG1 THR 23 -10.698 -0.917 7.687
144 HG21 THR 23 3HG2 THR 23 -7.433 0.474 7.857
145 HG22 THR 23 1HG2 THR 23 -8.350 -0.510 8.996
146 HG23 THR 23 2HG2 THR 23 -9.109 0.882 8.223
147 H ASP 24 H ASP 24 -7.165 1.834 6.211
148 HA ASP 24 HA ASP 24 -9.316 3.405 4.957
149 HB2 ASP 24 1HB ASP 24 -8.785 3.631 7.473
150 HB3 ASP 24 2HB ASP 24 -7.341 4.493 6.950
151 H ARG 25 H ARG 25 -8.793 4.158 3.020
152 HA ARG 25 HA ARG 25 -6.443 4.136 1.706
153 HB2 ARG 25 1HB ARG 25 -8.715 4.928 0.864
154 HB3 ARG 25 2HB ARG 25 -8.286 6.512 1.496
155 HG2 ARG 25 1HG ARG 25 -6.159 6.251 0.051
156 HG3 ARG 25 2HG ARG 25 -7.084 5.002 -0.783
157 HD2 ARG 25 1HD ARG 25 -8.133 7.785 -0.337
158 HD3 ARG 25 2HD ARG 25 -7.197 7.337 -1.762
159 HE ARG 25 HE ARG 25 -9.931 6.618 -1.176
160 HH11 ARG 25 1HH1 ARG 25 -7.082 5.906 -3.044
161 HH12 ARG 25 2HH1 ARG 25 -7.950 5.086 -4.299
162 HH21 ARG 25 1HH2 ARG 25 -11.086 5.541 -2.821
163 HH22 ARG 25 2HH2 ARG 25 -10.228 4.879 -4.171
164 H SER 26 H SER 26 -7.580 6.947 3.586
165 HA SER 26 HA SER 26 -5.542 8.691 3.320
166 HB2 SER 26 1HB SER 26 -7.358 9.299 4.731
167 HB3 SER 26 2HB SER 26 -7.059 7.948 5.823
168 HG SER 26 HG SER 26 -4.992 9.777 5.455
169 H ASN 27 H ASN 27 -5.562 6.080 5.751
170 HA ASN 27 HA ASN 27 -3.084 6.455 6.864
171 HB2 ASN 27 1HB ASN 27 -4.967 4.634 7.266
172 HB3 ASN 27 2HB ASN 27 -3.914 3.652 6.252
173 HD21 ASN 27 1HD2 ASN 27 -1.482 4.027 6.938
174 HD22 ASN 27 2HD2 ASN 27 -1.194 3.798 8.626
175 H LEU 28 H LEU 28 -3.816 4.409 4.038
176 HA LEU 28 HA LEU 28 -1.267 3.545 3.445
177 HB2 LEU 28 1HB LEU 28 -3.186 2.685 2.287
178 HB3 LEU 28 2HB LEU 28 -3.523 4.265 1.583
179 HG LEU 28 HG LEU 28 -1.425 4.086 0.279
180 HD11 LEU 28 1HD1 LEU 28 -1.029 1.281 0.421
181 HD12 LEU 28 2HD1 LEU 28 -0.939 1.931 2.057
182 HD13 LEU 28 3HD1 LEU 28 0.109 2.576 0.794
183 HD21 LEU 28 3HD2 LEU 28 -2.343 2.756 -1.395
184 HD22 LEU 28 1HD2 LEU 28 -3.751 3.268 -0.465
185 HD23 LEU 28 2HD2 LEU 28 -3.090 1.648 -0.243
186 H ILE 29 H ILE 29 -2.867 6.504 2.287
187 HA ILE 29 HA ILE 29 -0.815 7.483 0.692
188 HB ILE 29 HB ILE 29 -2.772 9.073 2.355
189 HG12 ILE 29 1HG1 ILE 29 -2.994 8.502 -0.587
190 HG13 ILE 29 2HG1 ILE 29 -3.590 7.343 0.595
191 HG21 ILE 29 1HG2 ILE 29 -0.958 10.490 1.677
192 HG22 ILE 29 2HG2 ILE 29 -1.038 9.878 0.026
193 HG23 ILE 29 3HG2 ILE 29 -2.359 10.853 0.669
194 HD11 ILE 29 3HD1 ILE 29 -4.491 10.084 1.052
195 HD12 ILE 29 1HD1 ILE 29 -5.033 9.381 -0.471
196 HD13 ILE 29 2HD1 ILE 29 -5.396 8.570 1.053
197 H LYS 30 H LYS 30 -1.403 8.007 4.154
198 HA LYS 30 HA LYS 30 0.821 9.715 4.559
199 HB2 LYS 30 1HB LYS 30 -1.011 9.711 6.134
200 HB3 LYS 30 2HB LYS 30 -0.759 8.007 6.487
201 HG2 LYS 30 1HG LYS 30 1.403 8.523 7.486
202 HG3 LYS 30 2HG LYS 30 1.172 10.233 7.113
203 HD2 LYS 30 1HD LYS 30 -0.757 8.661 8.806
204 HD3 LYS 30 2HD LYS 30 0.633 9.512 9.484
205 HE2 LYS 30 1HE LYS 30 -1.223 10.986 7.677
206 HE3 LYS 30 2HE LYS 30 -1.728 10.662 9.334
207 HZ1 LYS 30 3HZ LYS 30 0.877 11.917 8.708
208 HZ2 LYS 30 1HZ LYS 30 0.052 11.893 10.186
209 HZ3 LYS 30 2HZ LYS 30 -0.532 12.832 8.906
210 H HIS 31 H HIS 31 0.383 6.231 4.719
211 HA HIS 31 HA HIS 31 2.867 5.628 5.938
212 HB2 HIS 31 1HB HIS 31 1.375 3.861 6.062
213 HB3 HIS 31 2HB HIS 31 0.826 4.071 4.402
214 HD1 HIS 31 HD1 HIS 31 3.731 2.669 6.365
215 HD2 HIS 31 HD2 HIS 31 2.117 2.519 2.540
216 HE1 HIS 31 HE1 HIS 31 5.012 0.868 5.165
217 H GLN 32 H GLN 32 1.820 5.653 2.540
218 HA GLN 32 HA GLN 32 4.093 4.761 1.298
219 HB2 GLN 32 1HB GLN 32 2.139 6.899 0.463
220 HB3 GLN 32 2HB GLN 32 3.433 6.342 -0.590
221 HG2 GLN 32 1HG GLN 32 2.456 3.990 -0.141
222 HG3 GLN 32 2HG GLN 32 1.020 4.873 0.375
223 HE21 GLN 32 1HE2 GLN 32 2.810 3.694 -2.250
224 HE22 GLN 32 2HE2 GLN 32 1.852 4.370 -3.519
225 H LYS 33 H LYS 33 3.532 7.864 2.798
226 HA LYS 33 HA LYS 33 5.530 9.419 1.715
227 HB2 LYS 33 1HB LYS 33 4.755 9.334 4.637
228 HB3 LYS 33 2HB LYS 33 5.520 10.678 3.799
229 HG2 LYS 33 1HG LYS 33 3.419 10.599 2.282
230 HG3 LYS 33 2HG LYS 33 2.707 9.694 3.620
231 HD2 LYS 33 1HD LYS 33 4.131 12.229 4.246
232 HD3 LYS 33 2HD LYS 33 2.547 12.336 3.475
233 HE2 LYS 33 1HE LYS 33 1.456 11.467 5.285
234 HE3 LYS 33 2HE LYS 33 2.843 10.508 5.798
235 HZ1 LYS 33 3HZ LYS 33 2.536 13.446 6.105
236 HZ2 LYS 33 1HZ LYS 33 3.915 12.565 6.537
237 HZ3 LYS 33 2HZ LYS 33 2.452 12.295 7.342
238 H ILE 34 H ILE 34 5.795 6.813 4.039
239 HA ILE 34 HA ILE 34 8.373 7.266 4.995
240 HB ILE 34 HB ILE 34 8.407 5.043 5.738
241 HG12 ILE 34 1HG1 ILE 34 6.356 4.369 3.616
242 HG13 ILE 34 2HG1 ILE 34 8.075 4.002 3.514
243 HG21 ILE 34 1HG2 ILE 34 5.994 6.545 5.914
244 HG22 ILE 34 2HG2 ILE 34 5.591 4.829 5.867
245 HG23 ILE 34 3HG2 ILE 34 6.699 5.442 7.095
246 HD11 ILE 34 3HD1 ILE 34 6.705 2.072 4.177
247 HD12 ILE 34 1HD1 ILE 34 7.910 2.506 5.389
248 HD13 ILE 34 2HD1 ILE 34 6.218 2.944 5.630
249 H HIS 35 H HIS 35 7.273 5.919 1.964
250 HA HIS 35 HA HIS 35 9.879 4.950 1.200
251 HB2 HIS 35 1HB HIS 35 7.439 5.340 -0.541
252 HB3 HIS 35 2HB HIS 35 8.843 4.338 -0.896
253 HD1 HIS 35 HD1 HIS 35 9.180 2.537 1.371
254 HD2 HIS 35 HD2 HIS 35 5.395 3.728 0.139
255 HE1 HIS 35 HE1 HIS 35 7.603 0.788 2.254
256 H THR 36 H THR 36 8.116 7.898 0.968
257 HA THR 36 HA THR 36 10.125 8.974 -0.902
258 HB THR 36 HB THR 36 8.017 9.211 -1.949
259 HG1 THR 36 HG1 THR 36 8.153 11.741 -0.736
260 HG21 THR 36 3HG2 THR 36 6.591 8.756 -0.023
261 HG22 THR 36 1HG2 THR 36 6.067 10.224 -0.847
262 HG23 THR 36 2HG2 THR 36 6.982 10.335 0.657
263 H GLY 37 H GLY 37 11.566 9.323 0.904
264 HA2 GLY 37 1HA GLY 37 11.690 11.915 1.817
265 HA3 GLY 37 2HA GLY 37 10.825 11.036 3.069
266 H GLU 38 H GLU 38 12.284 8.553 2.640
267 HA GLU 38 HA GLU 38 14.847 9.353 3.850
268 HB2 GLU 38 1HB GLU 38 13.229 8.092 5.304
269 HB3 GLU 38 2HB GLU 38 13.405 6.725 4.214
270 HG2 GLU 38 1HG GLU 38 14.879 6.210 5.904
271 HG3 GLU 38 2HG GLU 38 15.929 6.958 4.701
272 H LYS 39 H LYS 39 16.721 8.606 3.019
273 HA LYS 39 HA LYS 39 16.578 7.198 0.477
274 HB2 LYS 39 1HB LYS 39 18.856 7.855 0.152
275 HB3 LYS 39 2HB LYS 39 17.990 9.247 0.790
276 HG2 LYS 39 1HG LYS 39 18.885 8.774 3.020
277 HG3 LYS 39 2HG LYS 39 19.770 7.395 2.363
278 HD2 LYS 39 1HD LYS 39 21.402 9.011 2.315
279 HD3 LYS 39 2HD LYS 39 20.712 9.199 0.701
280 HE2 LYS 39 1HE LYS 39 19.707 10.799 3.032
281 HE3 LYS 39 2HE LYS 39 21.118 11.312 2.108
282 HZ1 LYS 39 3HZ LYS 39 19.597 12.329 0.841
283 HZ2 LYS 39 1HZ LYS 39 18.320 11.360 1.383
284 HZ3 LYS 39 2HZ LYS 39 19.348 10.799 0.163
285 HA PRO 40 HA PRO 40 17.703 3.257 2.071
286 HB2 PRO 40 1HB PRO 40 18.901 2.203 -0.125
287 HB3 PRO 40 2HB PRO 40 17.152 2.423 0.002
288 HG2 PRO 40 1HG PRO 40 19.181 4.139 -1.376
289 HG3 PRO 40 2HG PRO 40 17.574 3.640 -1.933
290 HD2 PRO 40 1HD PRO 40 18.055 6.085 -0.874
291 HD3 PRO 40 2HD PRO 40 16.501 5.249 -0.678
292 H SER 41 H SER 41 19.852 1.710 1.460
293 HA SER 41 HA SER 41 22.162 3.342 2.290
294 HB2 SER 41 1HB SER 41 21.052 1.726 4.015
295 HB3 SER 41 2HB SER 41 21.872 0.464 3.097
296 HG SER 41 HG SER 41 23.035 2.664 4.452
297 H GLY 42 H GLY 42 22.674 3.471 0.005
298 HA2 GLY 42 1HA GLY 42 24.689 2.454 -1.118
299 HA3 GLY 42 2HA GLY 42 23.782 0.949 -1.063
300 HA PRO 43 HA PRO 43 21.734 1.805 -4.843
301 HB2 PRO 43 1HB PRO 43 19.089 1.450 -4.343
302 HB3 PRO 43 2HB PRO 43 20.244 0.113 -4.404
303 HG2 PRO 43 1HG PRO 43 19.122 1.539 -2.023
304 HG3 PRO 43 2HG PRO 43 19.376 -0.198 -2.269
305 HD2 PRO 43 1HD PRO 43 21.079 1.332 -0.824
306 HD3 PRO 43 2HD PRO 43 21.622 -0.069 -1.769
307 H SER 44 H SER 44 21.464 3.936 -2.348
308 HA SER 44 HA SER 44 19.461 5.673 -2.653
309 HB2 SER 44 1HB SER 44 21.427 6.061 -1.194
310 HB3 SER 44 2HB SER 44 22.366 6.528 -2.612
311 HG SER 44 HG SER 44 20.371 8.048 -2.837
312 H SER 45 H SER 45 18.425 6.095 -4.507
313 HA SER 45 HA SER 45 20.011 6.963 -6.828
314 HB2 SER 45 1HB SER 45 17.833 6.496 -8.090
315 HB3 SER 45 2HB SER 45 18.698 5.094 -7.459
316 HG SER 45 HG SER 45 16.715 4.722 -6.736
317 H GLY 46 H GLY 46 20.021 9.059 -7.275
318 HA2 GLY 46 1HA GLY 46 18.987 11.119 -7.795
319 HA3 GLY 46 2HA GLY 46 17.597 10.637 -6.834
Start of MODEL 5
1 H1 GLY 1 H GLY 1 4.478 -17.104 16.374
2 HA2 GLY 1 1HA GLY 1 3.698 -15.111 18.366
3 HA3 GLY 1 2HA GLY 1 5.404 -15.206 17.955
4 H SER 2 H SER 2 2.185 -14.578 16.661
5 HA SER 2 HA SER 2 3.346 -12.661 14.803
6 HB2 SER 2 1HB SER 2 3.252 -14.746 13.502
7 HB3 SER 2 2HB SER 2 1.535 -14.904 13.874
8 HG SER 2 HG SER 2 2.370 -12.508 12.730
9 H SER 3 H SER 3 2.231 -10.841 14.956
10 HA SER 3 HA SER 3 -0.251 -10.713 16.357
11 HB2 SER 3 1HB SER 3 -0.162 -8.289 15.793
12 HB3 SER 3 2HB SER 3 1.330 -8.877 16.527
13 HG SER 3 HG SER 3 0.977 -8.730 13.724
14 H GLY 4 H GLY 4 -2.141 -11.273 15.514
15 HA2 GLY 4 1HA GLY 4 -3.507 -10.120 13.503
16 HA3 GLY 4 2HA GLY 4 -2.536 -11.305 12.643
17 H SER 5 H SER 5 -5.284 -10.772 14.637
18 HA SER 5 HA SER 5 -5.989 -13.615 14.371
19 HB2 SER 5 1HB SER 5 -6.883 -13.696 16.591
20 HB3 SER 5 2HB SER 5 -5.257 -13.026 16.720
21 HG SER 5 HG SER 5 -7.715 -11.832 17.175
22 H SER 6 H SER 6 -8.285 -14.044 14.373
23 HA SER 6 HA SER 6 -10.287 -13.683 13.306
24 HB2 SER 6 1HB SER 6 -10.253 -11.331 15.215
25 HB3 SER 6 2HB SER 6 -11.690 -12.030 14.468
26 HG SER 6 HG SER 6 -10.780 -12.720 16.731
27 H GLY 7 H GLY 7 -8.192 -12.687 11.759
28 HA2 GLY 7 1HA GLY 7 -9.508 -10.355 10.515
29 HA3 GLY 7 2HA GLY 7 -7.762 -10.412 10.713
30 H THR 8 H THR 8 -10.485 -11.551 8.898
31 HA THR 8 HA THR 8 -8.628 -12.679 6.914
32 HB THR 8 HB THR 8 -11.342 -13.857 7.528
33 HG1 THR 8 HG1 THR 8 -10.385 -15.057 8.984
34 HG21 THR 8 3HG2 THR 8 -10.297 -15.790 6.222
35 HG22 THR 8 1HG2 THR 8 -9.079 -14.626 5.702
36 HG23 THR 8 2HG2 THR 8 -10.776 -14.365 5.300
37 H GLY 9 H GLY 9 -8.705 -11.260 5.282
38 HA2 GLY 9 1HA GLY 9 -10.983 -10.986 3.665
39 HA3 GLY 9 2HA GLY 9 -10.867 -9.563 4.690
40 H GLU 10 H GLU 10 -10.755 -8.895 2.211
41 HA GLU 10 HA GLU 10 -7.895 -8.633 1.548
42 HB2 GLU 10 1HB GLU 10 -10.296 -9.023 -0.202
43 HB3 GLU 10 2HB GLU 10 -8.885 -8.182 -0.829
44 HG2 GLU 10 1HG GLU 10 -7.502 -10.092 -0.491
45 HG3 GLU 10 2HG GLU 10 -8.780 -10.928 0.390
46 H ARG 11 H ARG 11 -7.440 -6.695 2.480
47 HA ARG 11 HA ARG 11 -9.015 -4.482 2.791
48 HB2 ARG 11 1HB ARG 11 -6.081 -4.880 2.467
49 HB3 ARG 11 2HB ARG 11 -6.697 -3.235 2.384
50 HG2 ARG 11 1HG ARG 11 -6.034 -3.652 4.626
51 HG3 ARG 11 2HG ARG 11 -7.798 -3.616 4.590
52 HD2 ARG 11 1HD ARG 11 -7.635 -6.168 4.322
53 HD3 ARG 11 2HD ARG 11 -5.966 -5.976 4.857
54 HE ARG 11 HE ARG 11 -7.950 -4.759 6.571
55 HH11 ARG 11 1HH1 ARG 11 -6.050 -7.592 5.876
56 HH12 ARG 11 2HH1 ARG 11 -6.172 -8.228 7.483
57 HH21 ARG 11 1HH2 ARG 11 -8.117 -5.585 8.690
58 HH22 ARG 11 2HH2 ARG 11 -7.349 -7.086 9.083
59 HA PRO 12 HA PRO 12 -9.893 -2.910 -1.226
60 HB2 PRO 12 1HB PRO 12 -10.409 -0.326 -0.574
61 HB3 PRO 12 2HB PRO 12 -11.523 -1.649 -0.211
62 HG2 PRO 12 1HG PRO 12 -9.545 -0.294 1.580
63 HG3 PRO 12 2HG PRO 12 -11.214 -0.782 1.925
64 HD2 PRO 12 1HD PRO 12 -9.075 -2.233 2.733
65 HD3 PRO 12 2HD PRO 12 -10.627 -2.979 2.300
66 H TYR 13 H TYR 13 -7.455 -1.411 0.796
67 HA TYR 13 HA TYR 13 -6.095 -0.464 -1.640
68 HB2 TYR 13 1HB TYR 13 -5.727 0.918 0.997
69 HB3 TYR 13 2HB TYR 13 -5.458 1.538 -0.629
70 HD1 TYR 13 HD1 TYR 13 -7.433 2.125 -2.056
71 HD2 TYR 13 HD2 TYR 13 -7.823 1.168 2.072
72 HE1 TYR 13 HE1 TYR 13 -9.657 3.176 -2.028
73 HE2 TYR 13 HE2 TYR 13 -10.049 2.215 2.110
74 HH TYR 13 HH TYR 13 -11.356 3.804 0.896
75 H ILE 14 H ILE 14 -3.981 -0.973 -1.849
76 HA ILE 14 HA ILE 14 -2.512 -2.008 0.454
77 HB ILE 14 HB ILE 14 -2.835 -3.562 -2.116
78 HG12 ILE 14 1HG1 ILE 14 -3.646 -5.316 -0.391
79 HG13 ILE 14 2HG1 ILE 14 -3.854 -3.941 0.688
80 HG21 ILE 14 1HG2 ILE 14 -1.108 -4.076 0.299
81 HG22 ILE 14 2HG2 ILE 14 -1.417 -5.253 -0.976
82 HG23 ILE 14 3HG2 ILE 14 -0.568 -3.753 -1.348
83 HD11 ILE 14 3HD1 ILE 14 -5.595 -4.903 -1.332
84 HD12 ILE 14 1HD1 ILE 14 -5.834 -3.566 -0.208
85 HD13 ILE 14 2HD1 ILE 14 -5.070 -3.278 -1.772
86 H CYS 15 H CYS 15 -0.578 -1.091 0.509
87 HA CYS 15 HA CYS 15 0.430 0.672 -1.351
88 HB2 CYS 15 1HB CYS 15 1.215 0.371 1.020
89 HB3 CYS 15 2HB CYS 15 2.125 -1.036 0.478
90 H THR 16 H THR 16 1.528 0.531 -3.212
91 HA THR 16 HA THR 16 2.188 -2.158 -4.196
92 HB THR 16 HB THR 16 2.240 -1.080 -6.454
93 HG1 THR 16 HG1 THR 16 0.932 1.133 -5.276
94 HG21 THR 16 3HG2 THR 16 -0.336 -0.758 -4.910
95 HG22 THR 16 1HG2 THR 16 0.237 -2.245 -5.665
96 HG23 THR 16 2HG2 THR 16 -0.192 -0.857 -6.665
97 H VAL 17 H VAL 17 3.939 -0.821 -2.376
98 HA VAL 17 HA VAL 17 6.282 -0.465 -4.125
99 HB VAL 17 HB VAL 17 5.695 1.057 -1.582
100 HG11 VAL 17 1HG1 VAL 17 8.040 1.538 -3.382
101 HG12 VAL 17 2HG1 VAL 17 7.804 2.027 -1.702
102 HG13 VAL 17 3HG1 VAL 17 8.121 0.336 -2.094
103 HG21 VAL 17 3HG2 VAL 17 6.240 2.467 -4.111
104 HG22 VAL 17 1HG2 VAL 17 4.709 1.595 -4.033
105 HG23 VAL 17 2HG2 VAL 17 5.081 2.833 -2.833
106 H CYS 18 H CYS 18 5.213 -1.223 -0.818
107 HA CYS 18 HA CYS 18 7.578 -2.955 -0.532
108 HB2 CYS 18 1HB CYS 18 7.272 -2.727 1.898
109 HB3 CYS 18 2HB CYS 18 7.484 -1.158 1.126
110 H GLY 19 H GLY 19 4.086 -2.747 -0.017
111 HA2 GLY 19 1HA GLY 19 2.788 -4.731 -0.657
112 HA3 GLY 19 2HA GLY 19 4.036 -5.699 0.114
113 H LYS 20 H LYS 20 2.327 -2.784 1.219
114 HA LYS 20 HA LYS 20 1.498 -4.304 3.602
115 HB2 LYS 20 1HB LYS 20 3.072 -2.431 4.026
116 HB3 LYS 20 2HB LYS 20 1.899 -1.318 3.333
117 HG2 LYS 20 1HG LYS 20 0.425 -1.567 5.117
118 HG3 LYS 20 2HG LYS 20 1.182 -3.069 5.654
119 HD2 LYS 20 1HD LYS 20 2.643 -0.442 5.676
120 HD3 LYS 20 2HD LYS 20 1.647 -0.974 7.032
121 HE2 LYS 20 1HE LYS 20 3.799 -2.724 5.889
122 HE3 LYS 20 2HE LYS 20 4.167 -1.487 7.089
123 HZ1 LYS 20 3HZ LYS 20 3.189 -4.053 7.532
124 HZ2 LYS 20 1HZ LYS 20 1.947 -2.984 7.952
125 HZ3 LYS 20 2HZ LYS 20 3.469 -2.839 8.677
126 H ALA 21 H ALA 21 -0.599 -4.052 4.400
127 HA ALA 21 HA ALA 21 -2.513 -2.965 2.445
128 HB1 ALA 21 3HB ALA 21 -3.666 -4.689 4.473
129 HB2 ALA 21 1HB ALA 21 -3.762 -4.789 2.714
130 HB3 ALA 21 2HB ALA 21 -2.383 -5.489 3.565
131 H PHE 22 H PHE 22 -4.003 -1.475 3.047
132 HA PHE 22 HA PHE 22 -4.119 -0.712 5.884
133 HB2 PHE 22 1HB PHE 22 -3.804 1.132 3.511
134 HB3 PHE 22 2HB PHE 22 -4.269 1.685 5.117
135 HD1 PHE 22 HD2 PHE 22 -1.562 0.199 3.121
136 HD2 PHE 22 HD1 PHE 22 -2.671 1.890 6.866
137 HE1 PHE 22 HE2 PHE 22 0.812 0.366 3.744
138 HE2 PHE 22 HE1 PHE 22 -0.298 2.060 7.495
139 HZ PHE 22 HZ PHE 22 1.446 1.297 5.934
140 H THR 23 H THR 23 -6.117 -0.476 6.665
141 HA THR 23 HA THR 23 -8.379 -1.164 5.128
142 HB THR 23 HB THR 23 -9.692 -0.381 7.130
143 HG1 THR 23 HG1 THR 23 -8.049 -0.073 8.987
144 HG21 THR 23 3HG2 THR 23 -9.266 -2.620 7.315
145 HG22 THR 23 1HG2 THR 23 -8.356 -2.044 8.711
146 HG23 THR 23 2HG2 THR 23 -7.519 -2.410 7.202
147 H ASP 24 H ASP 24 -7.565 1.955 6.663
148 HA ASP 24 HA ASP 24 -9.495 3.302 4.949
149 HB2 ASP 24 1HB ASP 24 -7.926 4.069 7.381
150 HB3 ASP 24 2HB ASP 24 -8.569 5.334 6.337
151 H ARG 25 H ARG 25 -8.930 4.101 3.047
152 HA ARG 25 HA ARG 25 -6.549 4.022 1.795
153 HB2 ARG 25 1HB ARG 25 -8.614 4.746 0.697
154 HB3 ARG 25 2HB ARG 25 -8.556 6.272 1.569
155 HG2 ARG 25 1HG ARG 25 -6.181 6.423 0.413
156 HG3 ARG 25 2HG ARG 25 -6.957 5.344 -0.748
157 HD2 ARG 25 1HD ARG 25 -7.217 7.662 -1.429
158 HD3 ARG 25 2HD ARG 25 -8.780 6.957 -1.019
159 HE ARG 25 HE ARG 25 -8.105 8.118 1.286
160 HH11 ARG 25 1HH1 ARG 25 -8.006 9.300 -1.987
161 HH12 ARG 25 2HH1 ARG 25 -8.278 10.951 -1.537
162 HH21 ARG 25 1HH2 ARG 25 -8.463 10.288 1.891
163 HH22 ARG 25 2HH2 ARG 25 -8.537 11.512 0.669
164 H SER 26 H SER 26 -7.687 6.926 3.531
165 HA SER 26 HA SER 26 -5.663 8.644 3.322
166 HB2 SER 26 1HB SER 26 -6.963 7.877 5.946
167 HB3 SER 26 2HB SER 26 -6.062 9.366 5.658
168 HG SER 26 HG SER 26 -8.442 8.548 4.343
169 H ASN 27 H ASN 27 -5.622 6.082 5.806
170 HA ASN 27 HA ASN 27 -3.131 6.442 6.850
171 HB2 ASN 27 1HB ASN 27 -4.613 3.879 6.265
172 HB3 ASN 27 2HB ASN 27 -3.096 3.911 7.160
173 HD21 ASN 27 1HD2 ASN 27 -4.942 2.847 8.559
174 HD22 ASN 27 2HD2 ASN 27 -5.643 3.918 9.719
175 H LEU 28 H LEU 28 -3.884 4.411 4.019
176 HA LEU 28 HA LEU 28 -1.367 3.539 3.369
177 HB2 LEU 28 1HB LEU 28 -3.290 2.762 2.175
178 HB3 LEU 28 2HB LEU 28 -3.619 4.379 1.556
179 HG LEU 28 HG LEU 28 -1.514 4.239 0.238
180 HD11 LEU 28 1HD1 LEU 28 -0.074 2.720 1.089
181 HD12 LEU 28 2HD1 LEU 28 -0.902 1.650 -0.043
182 HD13 LEU 28 3HD1 LEU 28 -1.359 1.655 1.660
183 HD21 LEU 28 3HD2 LEU 28 -3.574 2.089 -0.245
184 HD22 LEU 28 1HD2 LEU 28 -2.400 2.655 -1.433
185 HD23 LEU 28 2HD2 LEU 28 -3.633 3.756 -0.820
186 H ILE 29 H ILE 29 -2.896 6.565 2.281
187 HA ILE 29 HA ILE 29 -0.793 7.546 0.751
188 HB ILE 29 HB ILE 29 -2.709 9.178 2.420
189 HG12 ILE 29 1HG1 ILE 29 -3.061 8.607 -0.500
190 HG13 ILE 29 2HG1 ILE 29 -3.578 7.410 0.683
191 HG21 ILE 29 1HG2 ILE 29 -2.212 11.008 1.023
192 HG22 ILE 29 2HG2 ILE 29 -0.653 10.312 1.461
193 HG23 ILE 29 3HG2 ILE 29 -1.345 9.994 -0.130
194 HD11 ILE 29 3HD1 ILE 29 -4.942 9.719 -0.212
195 HD12 ILE 29 1HD1 ILE 29 -5.469 8.512 0.961
196 HD13 ILE 29 2HD1 ILE 29 -4.573 9.934 1.499
197 H LYS 30 H LYS 30 -1.444 7.980 4.213
198 HA LYS 30 HA LYS 30 0.768 9.665 4.724
199 HB2 LYS 30 1HB LYS 30 -1.093 9.561 6.271
200 HB3 LYS 30 2HB LYS 30 -0.805 7.850 6.561
201 HG2 LYS 30 1HG LYS 30 1.272 8.330 7.665
202 HG3 LYS 30 2HG LYS 30 1.143 10.040 7.249
203 HD2 LYS 30 1HD LYS 30 -0.845 8.556 8.964
204 HD3 LYS 30 2HD LYS 30 0.499 9.508 9.600
205 HE2 LYS 30 1HE LYS 30 -0.462 11.428 8.191
206 HE3 LYS 30 2HE LYS 30 -1.918 10.440 8.083
207 HZ1 LYS 30 3HZ LYS 30 -1.156 10.489 10.755
208 HZ2 LYS 30 1HZ LYS 30 -2.510 11.220 10.052
209 HZ3 LYS 30 2HZ LYS 30 -1.065 12.085 10.201
210 H HIS 31 H HIS 31 0.390 6.195 4.567
211 HA HIS 31 HA HIS 31 2.826 5.512 5.854
212 HB2 HIS 31 1HB HIS 31 1.349 3.728 5.760
213 HB3 HIS 31 2HB HIS 31 0.878 4.070 4.098
214 HD1 HIS 31 HD1 HIS 31 3.611 2.444 6.106
215 HD2 HIS 31 HD2 HIS 31 2.376 2.792 2.154
216 HE1 HIS 31 HE1 HIS 31 5.000 0.789 4.820
217 H GLN 32 H GLN 32 1.927 6.078 2.484
218 HA GLN 32 HA GLN 32 4.245 5.237 1.221
219 HB2 GLN 32 1HB GLN 32 2.523 7.611 0.486
220 HB3 GLN 32 2HB GLN 32 3.649 6.787 -0.585
221 HG2 GLN 32 1HG GLN 32 1.515 5.178 0.706
222 HG3 GLN 32 2HG GLN 32 1.066 6.266 -0.607
223 HE21 GLN 32 1HE2 GLN 32 0.598 4.751 -2.119
224 HE22 GLN 32 2HE2 GLN 32 1.763 3.668 -2.792
225 H LYS 33 H LYS 33 3.660 8.088 3.122
226 HA LYS 33 HA LYS 33 5.637 9.812 2.302
227 HB2 LYS 33 1HB LYS 33 4.605 9.204 5.069
228 HB3 LYS 33 2HB LYS 33 5.753 10.499 4.755
229 HG2 LYS 33 1HG LYS 33 4.209 11.737 3.529
230 HG3 LYS 33 2HG LYS 33 3.155 10.344 3.274
231 HD2 LYS 33 1HD LYS 33 2.550 10.337 5.623
232 HD3 LYS 33 2HD LYS 33 3.670 11.664 5.939
233 HE2 LYS 33 1HE LYS 33 2.287 12.916 4.133
234 HE3 LYS 33 2HE LYS 33 1.065 11.690 4.463
235 HZ1 LYS 33 3HZ LYS 33 0.437 13.129 6.045
236 HZ2 LYS 33 1HZ LYS 33 1.932 13.919 6.092
237 HZ3 LYS 33 2HZ LYS 33 1.715 12.470 6.936
238 H ILE 34 H ILE 34 6.007 6.713 3.687
239 HA ILE 34 HA ILE 34 8.649 7.129 4.747
240 HB ILE 34 HB ILE 34 8.672 4.849 5.308
241 HG12 ILE 34 1HG1 ILE 34 6.403 4.409 3.354
242 HG13 ILE 34 2HG1 ILE 34 8.089 4.004 3.049
243 HG21 ILE 34 1HG2 ILE 34 7.164 5.708 6.794
244 HG22 ILE 34 2HG2 ILE 34 6.010 6.151 5.538
245 HG23 ILE 34 3HG2 ILE 34 6.166 4.467 6.037
246 HD11 ILE 34 3HD1 ILE 34 6.197 2.752 5.007
247 HD12 ILE 34 1HD1 ILE 34 7.053 1.997 3.662
248 HD13 ILE 34 2HD1 ILE 34 7.942 2.516 5.095
249 H HIS 35 H HIS 35 7.251 5.936 1.756
250 HA HIS 35 HA HIS 35 9.800 5.070 0.704
251 HB2 HIS 35 1HB HIS 35 7.166 5.390 -0.747
252 HB3 HIS 35 2HB HIS 35 8.569 4.478 -1.297
253 HD1 HIS 35 HD1 HIS 35 9.253 2.651 0.892
254 HD2 HIS 35 HD2 HIS 35 5.301 3.621 0.052
255 HE1 HIS 35 HE1 HIS 35 7.880 0.784 1.868
256 H THR 36 H THR 36 7.761 7.890 0.560
257 HA THR 36 HA THR 36 9.408 9.082 -1.544
258 HB THR 36 HB THR 36 6.991 9.331 -1.797
259 HG1 THR 36 HG1 THR 36 8.659 11.539 -1.405
260 HG21 THR 36 3HG2 THR 36 6.027 9.319 0.304
261 HG22 THR 36 1HG2 THR 36 5.935 11.029 -0.112
262 HG23 THR 36 2HG2 THR 36 7.205 10.451 0.967
263 H GLY 37 H GLY 37 10.975 8.769 0.566
264 HA2 GLY 37 1HA GLY 37 11.086 11.458 1.789
265 HA3 GLY 37 2HA GLY 37 11.504 10.003 2.680
266 H GLU 38 H GLU 38 12.627 12.471 0.627
267 HA GLU 38 HA GLU 38 14.820 11.343 -0.630
268 HB2 GLU 38 1HB GLU 38 14.246 14.092 0.416
269 HB3 GLU 38 2HB GLU 38 15.837 13.722 -0.233
270 HG2 GLU 38 1HG GLU 38 14.424 12.793 -2.251
271 HG3 GLU 38 2HG GLU 38 13.218 13.912 -1.617
272 H LYS 39 H LYS 39 17.061 11.299 -0.101
273 HA LYS 39 HA LYS 39 17.639 11.303 2.786
274 HB2 LYS 39 1HB LYS 39 18.098 9.165 0.761
275 HB3 LYS 39 2HB LYS 39 19.320 9.390 2.006
276 HG2 LYS 39 1HG LYS 39 17.369 9.252 3.665
277 HG3 LYS 39 2HG LYS 39 16.452 8.585 2.312
278 HD2 LYS 39 1HD LYS 39 17.915 6.735 2.112
279 HD3 LYS 39 2HD LYS 39 19.114 7.476 3.175
280 HE2 LYS 39 1HE LYS 39 16.352 6.855 4.160
281 HE3 LYS 39 2HE LYS 39 17.597 5.607 4.112
282 HZ1 LYS 39 3HZ LYS 39 17.306 7.845 5.906
283 HZ2 LYS 39 1HZ LYS 39 18.876 7.651 5.306
284 HZ3 LYS 39 2HZ LYS 39 18.121 6.380 6.127
285 HA PRO 40 HA PRO 40 21.167 13.750 1.874
286 HB2 PRO 40 1HB PRO 40 22.931 12.876 3.744
287 HB3 PRO 40 2HB PRO 40 21.527 13.873 4.140
288 HG2 PRO 40 1HG PRO 40 21.873 10.909 4.379
289 HG3 PRO 40 2HG PRO 40 21.128 12.044 5.520
290 HD2 PRO 40 1HD PRO 40 19.671 10.486 3.852
291 HD3 PRO 40 2HD PRO 40 19.140 12.104 4.355
292 H SER 41 H SER 41 21.050 10.533 1.157
293 HA SER 41 HA SER 41 23.583 10.676 -0.298
294 HB2 SER 41 1HB SER 41 22.781 8.429 1.557
295 HB3 SER 41 2HB SER 41 24.047 8.274 0.340
296 HG SER 41 HG SER 41 24.481 9.040 2.692
297 H GLY 42 H GLY 42 23.731 9.114 -2.055
298 HA2 GLY 42 1HA GLY 42 21.217 8.866 -3.421
299 HA3 GLY 42 2HA GLY 42 22.787 8.361 -4.026
300 HA PRO 43 HA PRO 43 21.865 4.146 -3.285
301 HB2 PRO 43 1HB PRO 43 24.170 3.159 -2.244
302 HB3 PRO 43 2HB PRO 43 24.006 3.631 -3.939
303 HG2 PRO 43 1HG PRO 43 25.210 5.150 -1.658
304 HG3 PRO 43 2HG PRO 43 25.805 4.967 -3.319
305 HD2 PRO 43 1HD PRO 43 24.496 7.183 -2.476
306 HD3 PRO 43 2HD PRO 43 24.378 6.580 -4.141
307 H SER 44 H SER 44 20.855 2.942 -1.778
308 HA SER 44 HA SER 44 20.459 3.930 0.831
309 HB2 SER 44 1HB SER 44 19.786 1.320 -0.513
310 HB3 SER 44 2HB SER 44 19.427 1.591 1.192
311 HG SER 44 HG SER 44 18.560 3.275 -0.922
312 H SER 45 H SER 45 20.777 2.496 2.812
313 HA SER 45 HA SER 45 23.324 2.377 3.631
314 HB2 SER 45 1HB SER 45 21.271 0.261 4.320
315 HB3 SER 45 2HB SER 45 22.688 0.688 5.279
316 HG SER 45 HG SER 45 21.760 2.550 5.859
317 H GLY 46 H GLY 46 21.669 -0.318 1.997
318 HA2 GLY 46 1HA GLY 46 23.769 -1.135 0.415
319 HA3 GLY 46 2HA GLY 46 23.994 -1.978 1.941
Start of MODEL 6
1 H1 GLY 1 H GLY 1 0.250 -32.715 -8.985
2 HA2 GLY 1 1HA GLY 1 -0.714 -30.416 -10.550
3 HA3 GLY 1 2HA GLY 1 -1.579 -31.929 -10.325
4 H SER 2 H SER 2 -0.862 -28.809 -9.006
5 HA SER 2 HA SER 2 -2.902 -29.269 -6.931
6 HB2 SER 2 1HB SER 2 -0.367 -28.985 -6.228
7 HB3 SER 2 2HB SER 2 -0.723 -27.274 -6.465
8 HG SER 2 HG SER 2 -1.512 -27.393 -4.524
9 H SER 3 H SER 3 -4.421 -27.698 -6.661
10 HA SER 3 HA SER 3 -4.358 -25.498 -8.611
11 HB2 SER 3 1HB SER 3 -6.543 -27.155 -7.447
12 HB3 SER 3 2HB SER 3 -6.915 -25.478 -7.845
13 HG SER 3 HG SER 3 -7.204 -27.159 -9.546
14 H GLY 4 H GLY 4 -4.546 -23.403 -7.980
15 HA2 GLY 4 1HA GLY 4 -5.554 -21.965 -6.127
16 HA3 GLY 4 2HA GLY 4 -4.531 -22.928 -5.069
17 H SER 5 H SER 5 -4.510 -20.052 -5.477
18 HA SER 5 HA SER 5 -1.777 -19.748 -6.539
19 HB2 SER 5 1HB SER 5 -3.984 -17.674 -6.518
20 HB3 SER 5 2HB SER 5 -2.353 -17.441 -7.146
21 HG SER 5 HG SER 5 -4.348 -19.201 -8.128
22 H SER 6 H SER 6 -0.323 -18.510 -5.377
23 HA SER 6 HA SER 6 -0.996 -18.162 -2.563
24 HB2 SER 6 1HB SER 6 1.065 -19.349 -3.029
25 HB3 SER 6 2HB SER 6 1.647 -18.021 -4.033
26 HG SER 6 HG SER 6 1.044 -17.786 -1.271
27 H GLY 7 H GLY 7 -1.972 -16.281 -2.124
28 HA2 GLY 7 1HA GLY 7 -1.413 -13.945 -1.581
29 HA3 GLY 7 2HA GLY 7 -0.717 -13.826 -3.191
30 H THR 8 H THR 8 -3.232 -12.828 -1.445
31 HA THR 8 HA THR 8 -4.845 -12.333 -3.803
32 HB THR 8 HB THR 8 -6.090 -13.690 -1.405
33 HG1 THR 8 HG1 THR 8 -5.549 -15.473 -2.393
34 HG21 THR 8 3HG2 THR 8 -7.679 -13.741 -3.779
35 HG22 THR 8 1HG2 THR 8 -7.197 -12.077 -3.449
36 HG23 THR 8 2HG2 THR 8 -8.048 -13.009 -2.218
37 H GLY 9 H GLY 9 -5.997 -10.452 -3.677
38 HA2 GLY 9 1HA GLY 9 -5.345 -8.679 -1.508
39 HA3 GLY 9 2HA GLY 9 -6.314 -8.289 -2.921
40 H GLU 10 H GLU 10 -6.466 -8.325 0.283
41 HA GLU 10 HA GLU 10 -9.280 -9.193 0.355
42 HB2 GLU 10 1HB GLU 10 -7.114 -9.256 2.431
43 HB3 GLU 10 2HB GLU 10 -8.805 -9.226 2.913
44 HG2 GLU 10 1HG GLU 10 -7.886 -11.249 0.928
45 HG3 GLU 10 2HG GLU 10 -7.541 -11.488 2.640
46 H ARG 11 H ARG 11 -7.041 -6.613 0.957
47 HA ARG 11 HA ARG 11 -9.164 -4.951 2.112
48 HB2 ARG 11 1HB ARG 11 -6.176 -4.823 2.128
49 HB3 ARG 11 2HB ARG 11 -7.094 -3.337 2.333
50 HG2 ARG 11 1HG ARG 11 -8.355 -4.741 4.156
51 HG3 ARG 11 2HG ARG 11 -6.869 -5.692 4.133
52 HD2 ARG 11 1HD ARG 11 -5.626 -3.507 4.427
53 HD3 ARG 11 2HD ARG 11 -7.192 -2.767 4.756
54 HE ARG 11 HE ARG 11 -5.646 -4.338 6.546
55 HH11 ARG 11 1HH1 ARG 11 -8.922 -3.620 5.612
56 HH12 ARG 11 2HH1 ARG 11 -9.587 -4.000 7.166
57 HH21 ARG 11 1HH2 ARG 11 -6.509 -4.841 8.596
58 HH22 ARG 11 2HH2 ARG 11 -8.213 -4.693 8.863
59 HA PRO 12 HA PRO 12 -9.753 -2.618 -1.559
60 HB2 PRO 12 1HB PRO 12 -10.296 -0.161 -0.538
61 HB3 PRO 12 2HB PRO 12 -11.431 -1.513 -0.444
62 HG2 PRO 12 1HG PRO 12 -9.544 -0.475 1.636
63 HG3 PRO 12 2HG PRO 12 -11.231 -0.994 1.814
64 HD2 PRO 12 1HD PRO 12 -9.141 -2.576 2.493
65 HD3 PRO 12 2HD PRO 12 -10.670 -3.229 1.870
66 H TYR 13 H TYR 13 -7.461 -1.402 0.814
67 HA TYR 13 HA TYR 13 -5.954 -0.135 -1.379
68 HB2 TYR 13 1HB TYR 13 -5.744 0.839 1.450
69 HB3 TYR 13 2HB TYR 13 -5.384 1.691 -0.047
70 HD1 TYR 13 HD1 TYR 13 -7.383 2.270 -1.570
71 HD2 TYR 13 HD2 TYR 13 -7.793 1.160 2.516
72 HE1 TYR 13 HE1 TYR 13 -9.609 3.315 -1.516
73 HE2 TYR 13 HE2 TYR 13 -10.020 2.200 2.582
74 HH TYR 13 HH TYR 13 -11.869 2.725 0.493
75 H ILE 14 H ILE 14 -3.908 -0.780 -1.626
76 HA ILE 14 HA ILE 14 -2.442 -1.942 0.602
77 HB ILE 14 HB ILE 14 -2.931 -3.483 -1.949
78 HG12 ILE 14 1HG1 ILE 14 -3.705 -5.183 -0.090
79 HG13 ILE 14 2HG1 ILE 14 -3.938 -3.720 0.859
80 HG21 ILE 14 1HG2 ILE 14 -0.594 -3.553 -0.888
81 HG22 ILE 14 2HG2 ILE 14 -1.366 -4.458 0.413
82 HG23 ILE 14 3HG2 ILE 14 -1.394 -5.085 -1.235
83 HD11 ILE 14 3HD1 ILE 14 -5.109 -3.312 -1.690
84 HD12 ILE 14 1HD1 ILE 14 -5.657 -4.868 -1.066
85 HD13 ILE 14 2HD1 ILE 14 -5.893 -3.403 -0.113
86 H CYS 15 H CYS 15 -0.432 -1.193 0.576
87 HA CYS 15 HA CYS 15 0.558 0.449 -1.486
88 HB2 CYS 15 1HB CYS 15 1.271 0.624 0.875
89 HB3 CYS 15 2HB CYS 15 2.098 -0.923 0.728
90 H THR 16 H THR 16 2.002 0.100 -3.121
91 HA THR 16 HA THR 16 2.465 -2.706 -3.831
92 HB THR 16 HB THR 16 3.005 -1.838 -6.092
93 HG1 THR 16 HG1 THR 16 2.702 0.346 -6.523
94 HG21 THR 16 3HG2 THR 16 0.722 -2.538 -5.572
95 HG22 THR 16 1HG2 THR 16 0.720 -1.181 -6.697
96 HG23 THR 16 2HG2 THR 16 0.346 -0.915 -4.994
97 H VAL 17 H VAL 17 4.118 0.237 -2.996
98 HA VAL 17 HA VAL 17 6.672 -0.271 -3.971
99 HB VAL 17 HB VAL 17 5.933 1.111 -1.388
100 HG11 VAL 17 1HG1 VAL 17 8.134 2.327 -1.897
101 HG12 VAL 17 2HG1 VAL 17 8.227 0.695 -1.232
102 HG13 VAL 17 3HG1 VAL 17 8.486 0.962 -2.957
103 HG21 VAL 17 3HG2 VAL 17 6.709 2.801 -3.606
104 HG22 VAL 17 1HG2 VAL 17 5.296 1.820 -3.995
105 HG23 VAL 17 2HG2 VAL 17 5.276 2.875 -2.582
106 H CYS 18 H CYS 18 5.477 -0.928 -0.671
107 HA CYS 18 HA CYS 18 7.664 -2.848 -0.320
108 HB2 CYS 18 1HB CYS 18 7.126 -2.740 2.073
109 HB3 CYS 18 2HB CYS 18 7.425 -1.134 1.416
110 H GLY 19 H GLY 19 4.140 -2.581 0.034
111 HA2 GLY 19 1HA GLY 19 2.817 -4.450 -0.861
112 HA3 GLY 19 2HA GLY 19 4.014 -5.527 -0.158
113 H LYS 20 H LYS 20 2.562 -2.675 1.340
114 HA LYS 20 HA LYS 20 1.627 -4.390 3.524
115 HB2 LYS 20 1HB LYS 20 3.105 -2.361 3.937
116 HB3 LYS 20 2HB LYS 20 1.718 -1.374 3.493
117 HG2 LYS 20 1HG LYS 20 0.470 -2.115 5.352
118 HG3 LYS 20 2HG LYS 20 1.608 -3.421 5.688
119 HD2 LYS 20 1HD LYS 20 2.561 -0.590 5.725
120 HD3 LYS 20 2HD LYS 20 1.662 -1.223 7.106
121 HE2 LYS 20 1HE LYS 20 4.071 -2.604 5.946
122 HE3 LYS 20 2HE LYS 20 4.184 -1.402 7.231
123 HZ1 LYS 20 3HZ LYS 20 3.945 -3.979 7.717
124 HZ2 LYS 20 1HZ LYS 20 2.300 -3.592 7.631
125 HZ3 LYS 20 2HZ LYS 20 3.297 -2.804 8.747
126 H ALA 21 H ALA 21 -0.464 -3.743 4.564
127 HA ALA 21 HA ALA 21 -2.425 -2.876 2.541
128 HB1 ALA 21 3HB ALA 21 -2.228 -5.420 3.590
129 HB2 ALA 21 1HB ALA 21 -3.513 -4.678 4.543
130 HB3 ALA 21 2HB ALA 21 -3.637 -4.732 2.784
131 H PHE 22 H PHE 22 -4.183 -1.666 3.264
132 HA PHE 22 HA PHE 22 -4.231 -0.893 6.086
133 HB2 PHE 22 1HB PHE 22 -4.072 1.058 3.781
134 HB3 PHE 22 2HB PHE 22 -4.431 1.505 5.445
135 HD1 PHE 22 HD2 PHE 22 -1.841 0.068 3.237
136 HD2 PHE 22 HD1 PHE 22 -2.715 1.809 7.021
137 HE1 PHE 22 HE2 PHE 22 0.568 0.270 3.696
138 HE2 PHE 22 HE1 PHE 22 -0.308 2.015 7.486
139 HZ PHE 22 HZ PHE 22 1.337 1.244 5.823
140 H THR 23 H THR 23 -6.228 -0.079 6.813
141 HA THR 23 HA THR 23 -8.495 -1.154 5.453
142 HB THR 23 HB THR 23 -8.505 0.727 7.819
143 HG1 THR 23 HG1 THR 23 -8.720 -2.060 8.092
144 HG21 THR 23 3HG2 THR 23 -10.699 0.519 6.927
145 HG22 THR 23 1HG2 THR 23 -10.627 -0.552 8.326
146 HG23 THR 23 2HG2 THR 23 -10.515 -1.220 6.697
147 H ASP 24 H ASP 24 -7.721 2.191 6.437
148 HA ASP 24 HA ASP 24 -9.529 3.154 4.333
149 HB2 ASP 24 1HB ASP 24 -8.575 4.274 6.930
150 HB3 ASP 24 2HB ASP 24 -8.998 5.400 5.643
151 H ARG 25 H ARG 25 -8.824 4.349 2.648
152 HA ARG 25 HA ARG 25 -6.294 4.181 1.657
153 HB2 ARG 25 1HB ARG 25 -8.124 4.970 0.294
154 HB3 ARG 25 2HB ARG 25 -8.286 6.419 1.277
155 HG2 ARG 25 1HG ARG 25 -5.950 7.028 0.558
156 HG3 ARG 25 2HG ARG 25 -6.057 5.705 -0.605
157 HD2 ARG 25 1HD ARG 25 -8.110 6.766 -1.526
158 HD3 ARG 25 2HD ARG 25 -7.837 8.132 -0.444
159 HE ARG 25 HE ARG 25 -5.577 7.533 -2.106
160 HH11 ARG 25 1HH1 ARG 25 -8.621 9.214 -1.934
161 HH12 ARG 25 2HH1 ARG 25 -8.196 10.376 -3.146
162 HH21 ARG 25 1HH2 ARG 25 -5.006 9.057 -3.704
163 HH22 ARG 25 2HH2 ARG 25 -6.140 10.285 -4.153
164 H SER 26 H SER 26 -7.587 6.939 3.506
165 HA SER 26 HA SER 26 -5.582 8.700 3.569
166 HB2 SER 26 1HB SER 26 -6.980 7.712 6.067
167 HB3 SER 26 2HB SER 26 -6.177 9.270 5.877
168 HG SER 26 HG SER 26 -7.786 9.300 3.930
169 H ASN 27 H ASN 27 -5.660 5.887 5.762
170 HA ASN 27 HA ASN 27 -3.189 6.238 6.955
171 HB2 ASN 27 1HB ASN 27 -5.104 4.450 7.319
172 HB3 ASN 27 2HB ASN 27 -4.076 3.465 6.282
173 HD21 ASN 27 1HD2 ASN 27 -4.803 3.979 9.360
174 HD22 ASN 27 2HD2 ASN 27 -3.291 3.624 10.117
175 H LEU 28 H LEU 28 -3.968 4.448 3.987
176 HA LEU 28 HA LEU 28 -1.421 3.477 3.420
177 HB2 LEU 28 1HB LEU 28 -3.358 2.701 2.224
178 HB3 LEU 28 2HB LEU 28 -3.643 4.310 1.563
179 HG LEU 28 HG LEU 28 -1.528 4.105 0.282
180 HD11 LEU 28 1HD1 LEU 28 -0.763 1.642 0.042
181 HD12 LEU 28 2HD1 LEU 28 -1.497 1.438 1.633
182 HD13 LEU 28 3HD1 LEU 28 -0.186 2.597 1.409
183 HD21 LEU 28 3HD2 LEU 28 -2.997 1.703 -0.554
184 HD22 LEU 28 1HD2 LEU 28 -2.632 3.182 -1.443
185 HD23 LEU 28 2HD2 LEU 28 -3.990 3.142 -0.319
186 H ILE 29 H ILE 29 -2.943 6.525 2.409
187 HA ILE 29 HA ILE 29 -0.888 7.517 0.825
188 HB ILE 29 HB ILE 29 -2.728 9.114 2.611
189 HG12 ILE 29 1HG1 ILE 29 -3.073 8.441 -0.314
190 HG13 ILE 29 2HG1 ILE 29 -3.823 7.516 0.982
191 HG21 ILE 29 1HG2 ILE 29 -2.221 11.003 1.320
192 HG22 ILE 29 2HG2 ILE 29 -0.661 10.244 1.633
193 HG23 ILE 29 3HG2 ILE 29 -1.440 10.043 0.064
194 HD11 ILE 29 3HD1 ILE 29 -4.984 9.562 1.717
195 HD12 ILE 29 1HD1 ILE 29 -4.292 10.416 0.339
196 HD13 ILE 29 2HD1 ILE 29 -5.406 9.074 0.076
197 H LYS 30 H LYS 30 -1.481 8.198 4.277
198 HA LYS 30 HA LYS 30 0.814 9.714 4.733
199 HB2 LYS 30 1HB LYS 30 -0.931 9.712 6.367
200 HB3 LYS 30 2HB LYS 30 -0.816 7.970 6.580
201 HG2 LYS 30 1HG LYS 30 1.577 9.633 7.172
202 HG3 LYS 30 2HG LYS 30 0.234 9.634 8.317
203 HD2 LYS 30 1HD LYS 30 1.215 7.014 7.307
204 HD3 LYS 30 2HD LYS 30 2.209 7.877 8.483
205 HE2 LYS 30 1HE LYS 30 -0.704 7.175 8.838
206 HE3 LYS 30 2HE LYS 30 0.648 6.289 9.541
207 HZ1 LYS 30 3HZ LYS 30 -0.556 8.768 10.379
208 HZ2 LYS 30 1HZ LYS 30 1.134 8.817 10.333
209 HZ3 LYS 30 2HZ LYS 30 0.348 7.649 11.269
210 H HIS 31 H HIS 31 0.351 6.249 4.621
211 HA HIS 31 HA HIS 31 2.783 5.489 5.840
212 HB2 HIS 31 1HB HIS 31 1.220 3.764 5.685
213 HB3 HIS 31 2HB HIS 31 0.842 4.124 4.003
214 HD1 HIS 31 HD1 HIS 31 3.425 2.419 6.139
215 HD2 HIS 31 HD2 HIS 31 2.406 2.818 2.131
216 HE1 HIS 31 HE1 HIS 31 4.836 0.734 4.915
217 H GLN 32 H GLN 32 1.882 5.985 2.442
218 HA GLN 32 HA GLN 32 4.206 5.195 1.197
219 HB2 GLN 32 1HB GLN 32 2.309 7.440 0.524
220 HB3 GLN 32 2HB GLN 32 3.629 6.961 -0.535
221 HG2 GLN 32 1HG GLN 32 1.692 4.901 0.399
222 HG3 GLN 32 2HG GLN 32 1.222 6.015 -0.883
223 HE21 GLN 32 1HE2 GLN 32 1.074 4.002 -2.119
224 HE22 GLN 32 2HE2 GLN 32 2.500 3.391 -2.879
225 H LYS 33 H LYS 33 3.666 7.959 3.194
226 HA LYS 33 HA LYS 33 5.562 9.767 2.386
227 HB2 LYS 33 1HB LYS 33 4.820 8.964 5.204
228 HB3 LYS 33 2HB LYS 33 5.769 10.390 4.803
229 HG2 LYS 33 1HG LYS 33 3.051 9.958 3.622
230 HG3 LYS 33 2HG LYS 33 3.257 10.670 5.224
231 HD2 LYS 33 1HD LYS 33 4.227 12.581 4.398
232 HD3 LYS 33 2HD LYS 33 4.841 11.774 2.954
233 HE2 LYS 33 1HE LYS 33 2.741 11.825 1.903
234 HE3 LYS 33 2HE LYS 33 1.901 12.182 3.412
235 HZ1 LYS 33 3HZ LYS 33 1.999 14.298 2.791
236 HZ2 LYS 33 1HZ LYS 33 3.082 13.974 1.532
237 HZ3 LYS 33 2HZ LYS 33 3.662 14.249 3.097
238 H ILE 34 H ILE 34 6.056 6.634 3.764
239 HA ILE 34 HA ILE 34 8.783 7.075 4.549
240 HB ILE 34 HB ILE 34 8.878 4.785 5.110
241 HG12 ILE 34 1HG1 ILE 34 6.452 4.422 3.340
242 HG13 ILE 34 2HG1 ILE 34 8.077 3.820 3.033
243 HG21 ILE 34 1HG2 ILE 34 7.586 5.581 6.789
244 HG22 ILE 34 2HG2 ILE 34 6.348 6.193 5.693
245 HG23 ILE 34 3HG2 ILE 34 6.406 4.475 6.086
246 HD11 ILE 34 3HD1 ILE 34 6.011 2.829 4.925
247 HD12 ILE 34 1HD1 ILE 34 7.045 1.937 3.809
248 HD13 ILE 34 2HD1 ILE 34 7.715 2.583 5.308
249 H HIS 35 H HIS 35 7.121 5.907 1.700
250 HA HIS 35 HA HIS 35 9.610 5.082 0.436
251 HB2 HIS 35 1HB HIS 35 6.837 5.139 -0.764
252 HB3 HIS 35 2HB HIS 35 8.240 4.261 -1.367
253 HD1 HIS 35 HD1 HIS 35 9.204 2.570 0.770
254 HD2 HIS 35 HD2 HIS 35 5.151 3.415 0.427
255 HE1 HIS 35 HE1 HIS 35 8.027 0.733 2.019
256 H THR 36 H THR 36 9.001 7.921 1.142
257 HA THR 36 HA THR 36 9.486 9.049 -1.530
258 HB THR 36 HB THR 36 8.115 10.959 -1.107
259 HG1 THR 36 HG1 THR 36 6.852 10.896 0.972
260 HG21 THR 36 3HG2 THR 36 6.198 8.993 -0.055
261 HG22 THR 36 1HG2 THR 36 7.083 8.472 -1.488
262 HG23 THR 36 2HG2 THR 36 6.137 9.960 -1.529
263 H GLY 37 H GLY 37 11.685 9.250 -1.185
264 HA2 GLY 37 1HA GLY 37 12.464 11.087 0.997
265 HA3 GLY 37 2HA GLY 37 13.489 9.780 0.423
266 H GLU 38 H GLU 38 12.328 12.995 -0.173
267 HA GLU 38 HA GLU 38 13.472 13.321 -2.755
268 HB2 GLU 38 1HB GLU 38 12.579 15.288 -0.651
269 HB3 GLU 38 2HB GLU 38 13.236 15.794 -2.201
270 HG2 GLU 38 1HG GLU 38 10.746 15.755 -2.068
271 HG3 GLU 38 2HG GLU 38 11.436 14.811 -3.387
272 H LYS 39 H LYS 39 14.556 14.217 0.507
273 HA LYS 39 HA LYS 39 16.992 15.394 -0.301
274 HB2 LYS 39 1HB LYS 39 16.467 14.065 2.357
275 HB3 LYS 39 2HB LYS 39 17.602 15.364 2.012
276 HG2 LYS 39 1HG LYS 39 14.725 15.848 1.466
277 HG3 LYS 39 2HG LYS 39 15.265 15.816 3.147
278 HD2 LYS 39 1HD LYS 39 15.594 18.028 2.696
279 HD3 LYS 39 2HD LYS 39 17.159 17.399 2.177
280 HE2 LYS 39 1HE LYS 39 16.464 18.817 0.439
281 HE3 LYS 39 2HE LYS 39 16.124 17.187 -0.139
282 HZ1 LYS 39 3HZ LYS 39 14.351 19.105 -0.293
283 HZ2 LYS 39 1HZ LYS 39 13.993 18.598 1.280
284 HZ3 LYS 39 2HZ LYS 39 13.893 17.503 -0.004
285 HA PRO 40 HA PRO 40 19.537 11.929 -1.219
286 HB2 PRO 40 1HB PRO 40 21.970 12.943 -0.569
287 HB3 PRO 40 2HB PRO 40 21.075 13.443 -2.009
288 HG2 PRO 40 1HG PRO 40 21.298 14.802 0.649
289 HG3 PRO 40 2HG PRO 40 21.367 15.506 -0.977
290 HD2 PRO 40 1HD PRO 40 19.138 15.600 0.559
291 HD3 PRO 40 2HD PRO 40 19.074 15.501 -1.213
292 H SER 41 H SER 41 20.104 10.112 -0.184
293 HA SER 41 HA SER 41 21.480 10.036 2.290
294 HB2 SER 41 1HB SER 41 19.726 9.124 3.723
295 HB3 SER 41 2HB SER 41 19.257 10.722 3.143
296 HG SER 41 HG SER 41 18.472 8.531 1.615
297 H GLY 42 H GLY 42 21.458 7.719 3.204
298 HA2 GLY 42 1HA GLY 42 21.052 5.371 2.688
299 HA3 GLY 42 2HA GLY 42 21.169 5.791 0.986
300 HA PRO 43 HA PRO 43 25.321 4.414 2.903
301 HB2 PRO 43 1HB PRO 43 25.379 1.857 1.993
302 HB3 PRO 43 2HB PRO 43 24.712 2.301 3.569
303 HG2 PRO 43 1HG PRO 43 23.287 1.758 0.992
304 HG3 PRO 43 2HG PRO 43 22.869 1.233 2.634
305 HD2 PRO 43 1HD PRO 43 21.657 3.329 1.422
306 HD3 PRO 43 2HD PRO 43 21.919 3.262 3.176
307 H SER 44 H SER 44 25.933 5.954 1.233
308 HA SER 44 HA SER 44 26.164 5.027 -1.492
309 HB2 SER 44 1HB SER 44 27.273 7.232 -1.868
310 HB3 SER 44 2HB SER 44 25.681 7.373 -1.124
311 HG SER 44 HG SER 44 27.788 8.484 -0.237
312 H SER 45 H SER 45 27.817 3.939 -2.313
313 HA SER 45 HA SER 45 29.837 2.733 -1.054
314 HB2 SER 45 1HB SER 45 29.301 2.601 -3.524
315 HB3 SER 45 2HB SER 45 30.293 4.043 -3.740
316 HG SER 45 HG SER 45 31.875 2.594 -2.444
317 H GLY 46 H GLY 46 31.721 3.193 -0.076
318 HA2 GLY 46 1HA GLY 46 33.766 4.594 -0.109
319 HA3 GLY 46 2HA GLY 46 32.695 5.978 -0.266
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -3.147 -32.553 6.450
2 HA2 GLY 1 1HA GLY 1 -2.350 -32.745 8.985
3 HA3 GLY 1 2HA GLY 1 -1.186 -33.805 8.203
4 H SER 2 H SER 2 -1.027 -31.102 9.592
5 HA SER 2 HA SER 2 0.211 -29.202 9.418
6 HB2 SER 2 1HB SER 2 1.430 -30.763 7.133
7 HB3 SER 2 2HB SER 2 2.057 -29.215 7.698
8 HG SER 2 HG SER 2 1.674 -31.395 9.452
9 H SER 3 H SER 3 -2.328 -29.103 8.310
10 HA SER 3 HA SER 3 -1.982 -26.939 6.415
11 HB2 SER 3 1HB SER 3 -3.339 -27.845 4.672
12 HB3 SER 3 2HB SER 3 -2.139 -29.079 5.056
13 HG SER 3 HG SER 3 -3.961 -30.216 5.092
14 H GLY 4 H GLY 4 -3.529 -25.407 6.625
15 HA2 GLY 4 1HA GLY 4 -6.055 -25.197 7.029
16 HA3 GLY 4 2HA GLY 4 -5.680 -25.985 8.554
17 H SER 5 H SER 5 -6.878 -23.387 8.156
18 HA SER 5 HA SER 5 -5.421 -21.908 10.058
19 HB2 SER 5 1HB SER 5 -4.447 -20.164 8.817
20 HB3 SER 5 2HB SER 5 -4.025 -21.614 7.905
21 HG SER 5 HG SER 5 -4.880 -20.508 6.320
22 H SER 6 H SER 6 -6.479 -19.948 10.669
23 HA SER 6 HA SER 6 -8.855 -19.085 9.311
24 HB2 SER 6 1HB SER 6 -10.476 -19.694 10.975
25 HB3 SER 6 2HB SER 6 -9.605 -21.161 10.530
26 HG SER 6 HG SER 6 -9.959 -20.491 12.900
27 H GLY 7 H GLY 7 -9.910 -17.269 10.432
28 HA2 GLY 7 1HA GLY 7 -9.900 -15.356 11.728
29 HA3 GLY 7 2HA GLY 7 -8.627 -16.076 12.703
30 H THR 8 H THR 8 -9.354 -14.110 9.918
31 HA THR 8 HA THR 8 -6.805 -12.794 10.126
32 HB THR 8 HB THR 8 -6.212 -14.747 8.725
33 HG1 THR 8 HG1 THR 8 -5.274 -12.582 8.417
34 HG21 THR 8 3HG2 THR 8 -8.480 -13.704 7.078
35 HG22 THR 8 1HG2 THR 8 -8.086 -15.366 7.516
36 HG23 THR 8 2HG2 THR 8 -7.134 -14.527 6.290
37 H GLY 9 H GLY 9 -6.628 -10.959 8.593
38 HA2 GLY 9 1HA GLY 9 -9.282 -10.050 7.671
39 HA3 GLY 9 2HA GLY 9 -8.211 -8.989 8.574
40 H GLU 10 H GLU 10 -9.194 -8.267 6.094
41 HA GLU 10 HA GLU 10 -6.703 -8.013 4.610
42 HB2 GLU 10 1HB GLU 10 -9.202 -9.273 3.503
43 HB3 GLU 10 2HB GLU 10 -8.025 -8.494 2.455
44 HG2 GLU 10 1HG GLU 10 -7.363 -10.732 4.351
45 HG3 GLU 10 2HG GLU 10 -7.775 -10.961 2.652
46 H ARG 11 H ARG 11 -6.487 -6.066 3.643
47 HA ARG 11 HA ARG 11 -8.783 -4.235 3.834
48 HB2 ARG 11 1HB ARG 11 -5.811 -3.766 3.950
49 HB3 ARG 11 2HB ARG 11 -6.945 -2.454 3.660
50 HG2 ARG 11 1HG ARG 11 -6.338 -2.551 5.998
51 HG3 ARG 11 2HG ARG 11 -8.046 -2.943 5.791
52 HD2 ARG 11 1HD ARG 11 -7.735 -5.169 6.303
53 HD3 ARG 11 2HD ARG 11 -6.035 -5.145 5.834
54 HE ARG 11 HE ARG 11 -7.121 -4.554 8.417
55 HH11 ARG 11 1HH1 ARG 11 -4.477 -3.926 6.242
56 HH12 ARG 11 2HH1 ARG 11 -3.362 -3.523 7.505
57 HH21 ARG 11 1HH2 ARG 11 -5.663 -4.026 10.090
58 HH22 ARG 11 2HH2 ARG 11 -4.037 -3.581 9.694
59 HA PRO 12 HA PRO 12 -8.963 -3.877 -0.544
60 HB2 PRO 12 1HB PRO 12 -9.999 -1.377 -0.764
61 HB3 PRO 12 2HB PRO 12 -10.950 -2.768 -0.230
62 HG2 PRO 12 1HG PRO 12 -9.647 -0.624 1.404
63 HG3 PRO 12 2HG PRO 12 -11.257 -1.346 1.585
64 HD2 PRO 12 1HD PRO 12 -9.154 -2.069 3.130
65 HD3 PRO 12 2HD PRO 12 -10.439 -3.206 2.672
66 H TYR 13 H TYR 13 -7.804 -0.884 1.024
67 HA TYR 13 HA TYR 13 -6.236 -0.127 -1.248
68 HB2 TYR 13 1HB TYR 13 -5.991 0.969 1.554
69 HB3 TYR 13 2HB TYR 13 -5.564 1.766 0.044
70 HD1 TYR 13 HD2 TYR 13 -8.308 0.817 2.275
71 HD2 TYR 13 HD1 TYR 13 -7.276 2.749 -1.373
72 HE1 TYR 13 HE2 TYR 13 -10.547 1.830 2.185
73 HE2 TYR 13 HE1 TYR 13 -9.512 3.768 -1.473
74 HH TYR 13 HH TYR 13 -11.436 4.211 0.856
75 H ILE 14 H ILE 14 -4.212 -0.674 -1.729
76 HA ILE 14 HA ILE 14 -2.516 -1.814 0.390
77 HB ILE 14 HB ILE 14 -2.338 -2.822 -2.426
78 HG12 ILE 14 1HG1 ILE 14 -4.672 -3.153 -1.787
79 HG13 ILE 14 2HG1 ILE 14 -3.822 -4.695 -1.805
80 HG21 ILE 14 1HG2 ILE 14 -1.639 -3.994 0.262
81 HG22 ILE 14 2HG2 ILE 14 -1.428 -4.809 -1.287
82 HG23 ILE 14 3HG2 ILE 14 -0.512 -3.346 -0.929
83 HD11 ILE 14 3HD1 ILE 14 -3.723 -3.471 0.805
84 HD12 ILE 14 1HD1 ILE 14 -5.382 -3.671 0.240
85 HD13 ILE 14 2HD1 ILE 14 -4.305 -5.065 0.324
86 H CYS 15 H CYS 15 -0.229 -1.616 0.036
87 HA CYS 15 HA CYS 15 0.431 0.816 -1.439
88 HB2 CYS 15 1HB CYS 15 1.117 0.618 0.932
89 HB3 CYS 15 2HB CYS 15 2.106 -0.777 0.513
90 H THR 16 H THR 16 1.111 0.605 -3.458
91 HA THR 16 HA THR 16 2.255 -1.879 -4.403
92 HB THR 16 HB THR 16 0.679 -0.691 -5.842
93 HG1 THR 16 HG1 THR 16 2.431 -1.909 -6.794
94 HG21 THR 16 3HG2 THR 16 2.746 1.509 -5.804
95 HG22 THR 16 1HG2 THR 16 1.093 1.595 -5.197
96 HG23 THR 16 2HG2 THR 16 1.390 1.435 -6.928
97 H VAL 17 H VAL 17 3.811 -0.474 -2.445
98 HA VAL 17 HA VAL 17 6.205 0.117 -4.059
99 HB VAL 17 HB VAL 17 5.411 1.443 -1.463
100 HG11 VAL 17 1HG1 VAL 17 7.825 1.068 -1.617
101 HG12 VAL 17 2HG1 VAL 17 7.850 1.874 -3.187
102 HG13 VAL 17 3HG1 VAL 17 7.429 2.782 -1.735
103 HG21 VAL 17 3HG2 VAL 17 4.369 2.070 -3.811
104 HG22 VAL 17 1HG2 VAL 17 4.817 3.309 -2.639
105 HG23 VAL 17 2HG2 VAL 17 5.893 2.940 -3.986
106 H CYS 18 H CYS 18 4.957 -1.057 -0.961
107 HA CYS 18 HA CYS 18 7.438 -2.617 -0.644
108 HB2 CYS 18 1HB CYS 18 7.068 -2.517 1.791
109 HB3 CYS 18 2HB CYS 18 7.260 -0.912 1.094
110 H GLY 19 H GLY 19 3.933 -2.564 -0.212
111 HA2 GLY 19 1HA GLY 19 2.693 -4.539 -0.931
112 HA3 GLY 19 2HA GLY 19 3.987 -5.517 -0.254
113 H LYS 20 H LYS 20 2.080 -2.792 1.023
114 HA LYS 20 HA LYS 20 1.307 -4.530 3.275
115 HB2 LYS 20 1HB LYS 20 2.942 -2.830 3.969
116 HB3 LYS 20 2HB LYS 20 1.893 -1.563 3.346
117 HG2 LYS 20 1HG LYS 20 0.353 -1.816 5.052
118 HG3 LYS 20 2HG LYS 20 0.886 -3.457 5.426
119 HD2 LYS 20 1HD LYS 20 3.062 -2.465 6.199
120 HD3 LYS 20 2HD LYS 20 2.318 -0.874 6.026
121 HE2 LYS 20 1HE LYS 20 2.083 -1.468 8.302
122 HE3 LYS 20 2HE LYS 20 0.496 -1.698 7.569
123 HZ1 LYS 20 3HZ LYS 20 0.528 -3.834 8.109
124 HZ2 LYS 20 1HZ LYS 20 1.930 -3.547 9.012
125 HZ3 LYS 20 2HZ LYS 20 2.049 -4.071 7.408
126 H ALA 21 H ALA 21 -0.741 -4.036 4.281
127 HA ALA 21 HA ALA 21 -2.645 -2.852 2.372
128 HB1 ALA 21 3HB ALA 21 -3.911 -4.652 2.652
129 HB2 ALA 21 1HB ALA 21 -2.644 -5.349 3.662
130 HB3 ALA 21 2HB ALA 21 -3.939 -4.406 4.399
131 H PHE 22 H PHE 22 -4.464 -1.675 3.244
132 HA PHE 22 HA PHE 22 -4.265 -0.735 5.985
133 HB2 PHE 22 1HB PHE 22 -3.938 1.089 3.599
134 HB3 PHE 22 2HB PHE 22 -4.355 1.670 5.208
135 HD1 PHE 22 HD1 PHE 22 -2.738 1.486 7.049
136 HD2 PHE 22 HD2 PHE 22 -1.722 0.412 3.058
137 HE1 PHE 22 HE1 PHE 22 -0.350 1.571 7.637
138 HE2 PHE 22 HE2 PHE 22 0.667 0.495 3.640
139 HZ PHE 22 HZ PHE 22 1.356 1.074 5.932
140 H THR 23 H THR 23 -6.217 -0.316 6.835
141 HA THR 23 HA THR 23 -8.567 -1.033 5.513
142 HB THR 23 HB THR 23 -8.463 0.842 7.876
143 HG1 THR 23 HG1 THR 23 -8.229 -0.970 9.163
144 HG21 THR 23 3HG2 THR 23 -10.446 -1.355 7.430
145 HG22 THR 23 1HG2 THR 23 -10.640 0.188 6.601
146 HG23 THR 23 2HG2 THR 23 -10.615 0.131 8.363
147 H ASP 24 H ASP 24 -7.689 2.256 6.592
148 HA ASP 24 HA ASP 24 -9.526 3.364 4.616
149 HB2 ASP 24 1HB ASP 24 -7.923 5.097 6.441
150 HB3 ASP 24 2HB ASP 24 -9.583 5.288 5.883
151 H ARG 25 H ARG 25 -8.921 4.548 2.871
152 HA ARG 25 HA ARG 25 -6.527 4.132 1.605
153 HB2 ARG 25 1HB ARG 25 -8.494 5.049 0.479
154 HB3 ARG 25 2HB ARG 25 -8.318 6.556 1.368
155 HG2 ARG 25 1HG ARG 25 -6.099 6.861 0.281
156 HG3 ARG 25 2HG ARG 25 -6.446 5.439 -0.705
157 HD2 ARG 25 1HD ARG 25 -8.591 6.650 -1.380
158 HD3 ARG 25 2HD ARG 25 -7.855 8.092 -0.680
159 HE ARG 25 HE ARG 25 -6.508 8.241 -2.519
160 HH11 ARG 25 1HH1 ARG 25 -7.832 5.026 -2.351
161 HH12 ARG 25 2HH1 ARG 25 -7.203 4.545 -3.892
162 HH21 ARG 25 1HH2 ARG 25 -5.674 7.620 -4.549
163 HH22 ARG 25 2HH2 ARG 25 -5.974 6.021 -5.141
164 H SER 26 H SER 26 -7.410 6.930 3.613
165 HA SER 26 HA SER 26 -5.255 8.547 3.377
166 HB2 SER 26 1HB SER 26 -6.774 7.784 5.872
167 HB3 SER 26 2HB SER 26 -5.551 9.054 5.859
168 HG SER 26 HG SER 26 -7.103 10.291 5.190
169 H ASN 27 H ASN 27 -5.422 5.902 5.768
170 HA ASN 27 HA ASN 27 -2.905 6.012 6.806
171 HB2 ASN 27 1HB ASN 27 -4.615 3.616 6.149
172 HB3 ASN 27 2HB ASN 27 -3.085 3.469 7.008
173 HD21 ASN 27 1HD2 ASN 27 -2.959 5.282 8.814
174 HD22 ASN 27 2HD2 ASN 27 -4.322 5.293 9.875
175 H LEU 28 H LEU 28 -3.862 4.375 3.805
176 HA LEU 28 HA LEU 28 -1.344 3.319 3.161
177 HB2 LEU 28 1HB LEU 28 -3.272 2.500 2.038
178 HB3 LEU 28 2HB LEU 28 -3.692 4.109 1.454
179 HG LEU 28 HG LEU 28 -1.730 4.070 -0.025
180 HD11 LEU 28 1HD1 LEU 28 -0.153 2.466 -0.022
181 HD12 LEU 28 2HD1 LEU 28 -1.308 1.179 0.323
182 HD13 LEU 28 3HD1 LEU 28 -0.710 2.199 1.630
183 HD21 LEU 28 3HD2 LEU 28 -3.592 1.712 -0.291
184 HD22 LEU 28 1HD2 LEU 28 -2.564 2.342 -1.579
185 HD23 LEU 28 2HD2 LEU 28 -3.855 3.343 -0.912
186 H ILE 29 H ILE 29 -2.888 6.371 2.204
187 HA ILE 29 HA ILE 29 -0.810 7.301 0.559
188 HB ILE 29 HB ILE 29 -2.757 8.953 2.172
189 HG12 ILE 29 1HG1 ILE 29 -3.054 8.246 -0.733
190 HG13 ILE 29 2HG1 ILE 29 -3.629 7.145 0.515
191 HG21 ILE 29 1HG2 ILE 29 -2.252 10.766 0.787
192 HG22 ILE 29 2HG2 ILE 29 -0.681 10.057 1.160
193 HG23 ILE 29 3HG2 ILE 29 -1.439 9.748 -0.402
194 HD11 ILE 29 3HD1 ILE 29 -5.332 8.716 -0.451
195 HD12 ILE 29 1HD1 ILE 29 -5.198 8.715 1.307
196 HD13 ILE 29 2HD1 ILE 29 -4.473 10.020 0.367
197 H LYS 30 H LYS 30 -1.579 8.199 3.926
198 HA LYS 30 HA LYS 30 0.701 9.765 4.361
199 HB2 LYS 30 1HB LYS 30 -0.855 10.117 6.004
200 HB3 LYS 30 2HB LYS 30 -1.313 8.420 6.086
201 HG2 LYS 30 1HG LYS 30 1.399 9.177 7.024
202 HG3 LYS 30 2HG LYS 30 0.015 9.603 8.033
203 HD2 LYS 30 1HD LYS 30 -0.496 7.422 8.490
204 HD3 LYS 30 2HD LYS 30 0.156 6.835 6.958
205 HE2 LYS 30 1HE LYS 30 1.543 6.090 8.802
206 HE3 LYS 30 2HE LYS 30 2.431 7.231 7.794
207 HZ1 LYS 30 3HZ LYS 30 2.610 7.542 10.276
208 HZ2 LYS 30 1HZ LYS 30 1.004 8.073 10.246
209 HZ3 LYS 30 2HZ LYS 30 2.190 8.917 9.386
210 H HIS 31 H HIS 31 0.229 6.322 4.429
211 HA HIS 31 HA HIS 31 2.567 5.663 5.908
212 HB2 HIS 31 1HB HIS 31 1.075 3.903 5.877
213 HB3 HIS 31 2HB HIS 31 0.637 4.165 4.191
214 HD1 HIS 31 HD1 HIS 31 3.262 2.547 6.335
215 HD2 HIS 31 HD2 HIS 31 2.153 2.764 2.338
216 HE1 HIS 31 HE1 HIS 31 4.626 0.789 5.163
217 H GLN 32 H GLN 32 1.872 6.106 2.484
218 HA GLN 32 HA GLN 32 4.252 5.084 1.429
219 HB2 GLN 32 1HB GLN 32 2.261 7.111 0.474
220 HB3 GLN 32 2HB GLN 32 3.741 6.839 -0.436
221 HG2 GLN 32 1HG GLN 32 3.136 4.412 -0.519
222 HG3 GLN 32 2HG GLN 32 1.576 4.847 0.178
223 HE21 GLN 32 1HE2 GLN 32 0.851 3.817 -1.857
224 HE22 GLN 32 2HE2 GLN 32 0.708 4.814 -3.261
225 H LYS 33 H LYS 33 3.624 7.980 3.171
226 HA LYS 33 HA LYS 33 5.599 9.698 2.258
227 HB2 LYS 33 1HB LYS 33 4.674 9.307 5.111
228 HB3 LYS 33 2HB LYS 33 5.536 10.713 4.499
229 HG2 LYS 33 1HG LYS 33 2.907 9.862 3.339
230 HG3 LYS 33 2HG LYS 33 3.004 10.883 4.776
231 HD2 LYS 33 1HD LYS 33 4.263 12.549 3.546
232 HD3 LYS 33 2HD LYS 33 4.291 11.510 2.119
233 HE2 LYS 33 1HE LYS 33 2.589 13.177 1.823
234 HE3 LYS 33 2HE LYS 33 1.810 11.613 2.064
235 HZ1 LYS 33 3HZ LYS 33 2.264 13.359 4.383
236 HZ2 LYS 33 1HZ LYS 33 1.054 12.205 4.128
237 HZ3 LYS 33 2HZ LYS 33 0.977 13.699 3.340
238 H ILE 34 H ILE 34 5.951 6.687 3.789
239 HA ILE 34 HA ILE 34 8.537 7.203 4.955
240 HB ILE 34 HB ILE 34 8.560 4.955 5.647
241 HG12 ILE 34 1HG1 ILE 34 6.401 4.421 3.595
242 HG13 ILE 34 2HG1 ILE 34 8.085 3.923 3.475
243 HG21 ILE 34 1HG2 ILE 34 5.853 4.711 6.092
244 HG22 ILE 34 2HG2 ILE 34 6.996 5.590 7.105
245 HG23 ILE 34 3HG2 ILE 34 6.074 6.446 5.870
246 HD11 ILE 34 3HD1 ILE 34 7.199 1.989 4.232
247 HD12 ILE 34 1HD1 ILE 34 7.496 2.764 5.788
248 HD13 ILE 34 2HD1 ILE 34 5.880 2.793 5.082
249 H HIS 35 H HIS 35 7.275 5.716 2.021
250 HA HIS 35 HA HIS 35 9.849 4.814 1.119
251 HB2 HIS 35 1HB HIS 35 7.312 5.131 -0.493
252 HB3 HIS 35 2HB HIS 35 8.709 4.140 -0.902
253 HD1 HIS 35 HD1 HIS 35 9.195 2.386 1.368
254 HD2 HIS 35 HD2 HIS 35 5.330 3.518 0.348
255 HE1 HIS 35 HE1 HIS 35 7.693 0.640 2.379
256 H THR 36 H THR 36 8.310 7.797 1.206
257 HA THR 36 HA THR 36 10.121 8.843 -0.869
258 HB THR 36 HB THR 36 7.754 8.873 -1.642
259 HG1 THR 36 HG1 THR 36 8.458 11.561 -1.238
260 HG21 THR 36 3HG2 THR 36 7.131 11.110 0.203
261 HG22 THR 36 1HG2 THR 36 7.055 9.479 0.866
262 HG23 THR 36 2HG2 THR 36 6.061 9.912 -0.526
263 H GLY 37 H GLY 37 10.902 8.685 1.766
264 HA2 GLY 37 1HA GLY 37 10.374 11.247 3.039
265 HA3 GLY 37 2HA GLY 37 11.353 9.940 3.689
266 H GLU 38 H GLU 38 13.223 9.520 1.778
267 HA GLU 38 HA GLU 38 14.573 12.132 1.567
268 HB2 GLU 38 1HB GLU 38 15.621 10.686 3.252
269 HB3 GLU 38 2HB GLU 38 15.823 9.422 2.048
270 HG2 GLU 38 1HG GLU 38 17.229 11.052 0.741
271 HG3 GLU 38 2HG GLU 38 17.186 12.094 2.162
272 H LYS 39 H LYS 39 15.688 12.604 -0.303
273 HA LYS 39 HA LYS 39 14.773 11.348 -2.681
274 HB2 LYS 39 1HB LYS 39 16.286 12.906 -3.836
275 HB3 LYS 39 2HB LYS 39 15.306 13.726 -2.627
276 HG2 LYS 39 1HG LYS 39 17.111 14.020 -1.185
277 HG3 LYS 39 2HG LYS 39 18.076 12.783 -1.993
278 HD2 LYS 39 1HD LYS 39 19.051 14.728 -2.770
279 HD3 LYS 39 2HD LYS 39 17.890 14.370 -4.051
280 HE2 LYS 39 1HE LYS 39 17.632 16.663 -3.609
281 HE3 LYS 39 2HE LYS 39 16.276 15.882 -2.797
282 HZ1 LYS 39 3HZ LYS 39 17.933 15.888 -0.797
283 HZ2 LYS 39 1HZ LYS 39 17.021 17.265 -1.162
284 HZ3 LYS 39 2HZ LYS 39 18.640 17.173 -1.640
285 HA PRO 40 HA PRO 40 17.747 8.141 -3.175
286 HB2 PRO 40 1HB PRO 40 17.612 7.836 -5.869
287 HB3 PRO 40 2HB PRO 40 16.338 7.285 -4.775
288 HG2 PRO 40 1HG PRO 40 16.474 9.783 -6.419
289 HG3 PRO 40 2HG PRO 40 15.104 8.687 -6.161
290 HD2 PRO 40 1HD PRO 40 15.363 11.033 -4.833
291 HD3 PRO 40 2HD PRO 40 14.593 9.606 -4.110
292 H SER 41 H SER 41 19.894 8.273 -3.127
293 HA SER 41 HA SER 41 21.472 9.299 -5.220
294 HB2 SER 41 1HB SER 41 22.162 11.382 -4.511
295 HB3 SER 41 2HB SER 41 20.496 11.400 -3.933
296 HG SER 41 HG SER 41 21.172 11.207 -1.912
297 H GLY 42 H GLY 42 23.535 8.565 -5.057
298 HA2 GLY 42 1HA GLY 42 24.196 7.124 -2.574
299 HA3 GLY 42 2HA GLY 42 24.832 6.741 -4.167
300 HA PRO 43 HA PRO 43 28.458 9.031 -3.270
301 HB2 PRO 43 1HB PRO 43 29.146 9.919 -5.742
302 HB3 PRO 43 2HB PRO 43 29.310 8.230 -5.248
303 HG2 PRO 43 1HG PRO 43 27.148 9.530 -6.858
304 HG3 PRO 43 2HG PRO 43 27.956 7.974 -7.121
305 HD2 PRO 43 1HD PRO 43 25.508 8.169 -5.981
306 HD3 PRO 43 2HD PRO 43 26.665 6.894 -5.547
307 H SER 44 H SER 44 25.608 10.495 -4.023
308 HA SER 44 HA SER 44 25.911 13.011 -4.870
309 HB2 SER 44 1HB SER 44 23.994 13.579 -3.711
310 HB3 SER 44 2HB SER 44 23.902 11.820 -3.629
311 HG SER 44 HG SER 44 23.583 12.925 -1.591
312 H SER 45 H SER 45 26.402 15.066 -3.949
313 HA SER 45 HA SER 45 28.242 14.948 -1.651
314 HB2 SER 45 1HB SER 45 29.408 15.234 -3.869
315 HB3 SER 45 2HB SER 45 28.570 16.776 -4.038
316 HG SER 45 HG SER 45 29.620 17.507 -2.189
317 H GLY 46 H GLY 46 27.034 15.819 -0.061
318 HA2 GLY 46 1HA GLY 46 25.460 18.228 -0.625
319 HA3 GLY 46 2HA GLY 46 25.334 17.225 0.813
Start of MODEL 8
1 H1 GLY 1 H GLY 1 1.074 -20.539 1.442
2 HA2 GLY 1 1HA GLY 1 2.704 -22.431 2.950
3 HA3 GLY 1 2HA GLY 1 3.112 -20.761 2.590
4 H SER 2 H SER 2 3.701 -20.348 4.736
5 HA SER 2 HA SER 2 2.518 -20.900 7.077
6 HB2 SER 2 1HB SER 2 3.314 -18.758 7.948
7 HB3 SER 2 2HB SER 2 4.503 -19.442 6.840
8 HG SER 2 HG SER 2 4.267 -17.318 6.284
9 H SER 3 H SER 3 1.461 -18.291 4.906
10 HA SER 3 HA SER 3 -1.265 -18.600 5.793
11 HB2 SER 3 1HB SER 3 0.396 -16.240 6.601
12 HB3 SER 3 2HB SER 3 -1.318 -16.011 6.257
13 HG SER 3 HG SER 3 -1.384 -18.031 7.769
14 H GLY 4 H GLY 4 -2.688 -18.006 4.240
15 HA2 GLY 4 1HA GLY 4 -2.900 -16.096 2.463
16 HA3 GLY 4 2HA GLY 4 -1.537 -16.952 1.758
17 H SER 5 H SER 5 -4.456 -18.212 3.339
18 HA SER 5 HA SER 5 -5.019 -19.709 0.866
19 HB2 SER 5 1HB SER 5 -4.491 -21.047 2.928
20 HB3 SER 5 2HB SER 5 -5.951 -20.386 3.664
21 HG SER 5 HG SER 5 -7.000 -21.256 1.656
22 H SER 6 H SER 6 -6.580 -18.012 3.568
23 HA SER 6 HA SER 6 -8.632 -17.034 1.764
24 HB2 SER 6 1HB SER 6 -9.306 -19.326 2.872
25 HB3 SER 6 2HB SER 6 -9.625 -18.316 4.282
26 HG SER 6 HG SER 6 -11.254 -17.371 3.263
27 H GLY 7 H GLY 7 -10.042 -15.410 2.824
28 HA2 GLY 7 1HA GLY 7 -9.829 -14.336 5.314
29 HA3 GLY 7 2HA GLY 7 -8.434 -13.677 4.472
30 H THR 8 H THR 8 -11.681 -13.249 5.168
31 HA THR 8 HA THR 8 -12.290 -11.677 2.801
32 HB THR 8 HB THR 8 -14.032 -13.103 3.879
33 HG1 THR 8 HG1 THR 8 -14.299 -10.364 3.386
34 HG21 THR 8 3HG2 THR 8 -13.132 -11.955 6.228
35 HG22 THR 8 1HG2 THR 8 -14.592 -12.925 6.039
36 HG23 THR 8 2HG2 THR 8 -14.684 -11.166 5.949
37 H GLY 9 H GLY 9 -10.145 -10.538 3.930
38 HA2 GLY 9 1HA GLY 9 -10.711 -8.595 5.922
39 HA3 GLY 9 2HA GLY 9 -9.313 -8.606 4.858
40 H GLU 10 H GLU 10 -10.999 -6.368 5.755
41 HA GLU 10 HA GLU 10 -12.233 -5.519 3.235
42 HB2 GLU 10 1HB GLU 10 -13.453 -5.356 5.471
43 HB3 GLU 10 2HB GLU 10 -12.339 -4.055 5.867
44 HG2 GLU 10 1HG GLU 10 -13.145 -3.066 3.590
45 HG3 GLU 10 2HG GLU 10 -14.527 -4.128 3.850
46 H ARG 11 H ARG 11 -9.492 -5.636 3.137
47 HA ARG 11 HA ARG 11 -8.628 -2.836 3.400
48 HB2 ARG 11 1HB ARG 11 -7.070 -5.416 3.269
49 HB3 ARG 11 2HB ARG 11 -6.310 -3.841 3.086
50 HG2 ARG 11 1HG ARG 11 -7.589 -3.381 5.364
51 HG3 ARG 11 2HG ARG 11 -7.446 -5.135 5.495
52 HD2 ARG 11 1HD ARG 11 -4.982 -4.819 4.958
53 HD3 ARG 11 2HD ARG 11 -5.250 -3.098 5.234
54 HE ARG 11 HE ARG 11 -5.421 -3.506 7.495
55 HH11 ARG 11 1HH1 ARG 11 -5.407 -6.512 5.739
56 HH12 ARG 11 2HH1 ARG 11 -5.204 -7.489 7.155
57 HH21 ARG 11 1HH2 ARG 11 -5.153 -4.782 9.367
58 HH22 ARG 11 2HH2 ARG 11 -5.061 -6.504 9.218
59 HA PRO 12 HA PRO 12 -9.278 -3.370 -1.129
60 HB2 PRO 12 1HB PRO 12 -10.130 -0.822 -1.520
61 HB3 PRO 12 2HB PRO 12 -11.207 -2.127 -1.011
62 HG2 PRO 12 1HG PRO 12 -9.894 -0.003 0.639
63 HG3 PRO 12 2HG PRO 12 -11.556 -0.615 0.721
64 HD2 PRO 12 1HD PRO 12 -9.626 -1.402 2.450
65 HD3 PRO 12 2HD PRO 12 -10.944 -2.475 1.936
66 H TYR 13 H TYR 13 -7.534 -1.065 0.821
67 HA TYR 13 HA TYR 13 -5.896 -0.278 -1.484
68 HB2 TYR 13 1HB TYR 13 -5.647 0.931 1.252
69 HB3 TYR 13 2HB TYR 13 -5.278 1.647 -0.312
70 HD1 TYR 13 HD1 TYR 13 -7.119 2.438 -1.775
71 HD2 TYR 13 HD2 TYR 13 -7.840 1.060 2.186
72 HE1 TYR 13 HE1 TYR 13 -9.329 3.517 -1.808
73 HE2 TYR 13 HE2 TYR 13 -10.052 2.135 2.163
74 HH TYR 13 HH TYR 13 -11.157 4.047 0.941
75 H ILE 14 H ILE 14 -3.896 -1.031 -1.734
76 HA ILE 14 HA ILE 14 -2.418 -2.035 0.578
77 HB ILE 14 HB ILE 14 -2.989 -3.666 -1.894
78 HG12 ILE 14 1HG1 ILE 14 -3.484 -5.321 0.132
79 HG13 ILE 14 2HG1 ILE 14 -3.756 -3.805 0.984
80 HG21 ILE 14 1HG2 ILE 14 -1.071 -4.336 0.331
81 HG22 ILE 14 2HG2 ILE 14 -1.407 -5.293 -1.110
82 HG23 ILE 14 3HG2 ILE 14 -0.590 -3.738 -1.256
83 HD11 ILE 14 3HD1 ILE 14 -5.644 -3.337 -0.174
84 HD12 ILE 14 1HD1 ILE 14 -5.084 -4.147 -1.637
85 HD13 ILE 14 2HD1 ILE 14 -5.689 -5.097 -0.280
86 H CYS 15 H CYS 15 -0.529 -1.029 0.557
87 HA CYS 15 HA CYS 15 0.516 0.480 -1.511
88 HB2 CYS 15 1HB CYS 15 1.254 0.650 0.837
89 HB3 CYS 15 2HB CYS 15 2.059 -0.909 0.691
90 H THR 16 H THR 16 1.507 0.024 -3.361
91 HA THR 16 HA THR 16 2.178 -2.750 -3.954
92 HB THR 16 HB THR 16 0.838 -1.518 -5.599
93 HG1 THR 16 HG1 THR 16 2.423 -3.146 -6.257
94 HG21 THR 16 3HG2 THR 16 3.032 0.121 -6.611
95 HG22 THR 16 1HG2 THR 16 2.471 0.617 -5.014
96 HG23 THR 16 2HG2 THR 16 1.335 0.532 -6.361
97 H VAL 17 H VAL 17 3.740 -0.000 -2.846
98 HA VAL 17 HA VAL 17 6.240 -0.288 -4.200
99 HB VAL 17 HB VAL 17 5.626 1.118 -1.597
100 HG11 VAL 17 1HG1 VAL 17 8.059 0.973 -3.324
101 HG12 VAL 17 2HG1 VAL 17 7.718 2.443 -2.409
102 HG13 VAL 17 3HG1 VAL 17 7.924 0.906 -1.567
103 HG21 VAL 17 3HG2 VAL 17 4.344 1.927 -3.576
104 HG22 VAL 17 1HG2 VAL 17 5.428 3.132 -2.882
105 HG23 VAL 17 2HG2 VAL 17 5.880 2.289 -4.364
106 H CYS 18 H CYS 18 5.215 -1.003 -0.858
107 HA CYS 18 HA CYS 18 7.527 -2.796 -0.603
108 HB2 CYS 18 1HB CYS 18 7.093 -2.671 1.837
109 HB3 CYS 18 2HB CYS 18 7.408 -1.094 1.122
110 H GLY 19 H GLY 19 4.029 -2.639 -0.010
111 HA2 GLY 19 1HA GLY 19 2.775 -4.627 -0.821
112 HA3 GLY 19 2HA GLY 19 4.006 -5.595 -0.024
113 H LYS 20 H LYS 20 2.518 -2.671 1.262
114 HA LYS 20 HA LYS 20 1.553 -4.253 3.535
115 HB2 LYS 20 1HB LYS 20 3.079 -2.174 3.763
116 HB3 LYS 20 2HB LYS 20 1.621 -1.250 3.425
117 HG2 LYS 20 1HG LYS 20 0.590 -1.917 5.398
118 HG3 LYS 20 2HG LYS 20 1.670 -3.297 5.608
119 HD2 LYS 20 1HD LYS 20 3.538 -1.727 6.005
120 HD3 LYS 20 2HD LYS 20 2.401 -0.381 5.884
121 HE2 LYS 20 1HE LYS 20 1.122 -1.385 7.772
122 HE3 LYS 20 2HE LYS 20 2.398 -2.590 7.937
123 HZ1 LYS 20 3HZ LYS 20 2.710 0.346 8.251
124 HZ2 LYS 20 1HZ LYS 20 3.973 -0.776 8.335
125 HZ3 LYS 20 2HZ LYS 20 2.739 -0.802 9.492
126 H ALA 21 H ALA 21 -0.548 -3.749 4.456
127 HA ALA 21 HA ALA 21 -2.467 -2.784 2.435
128 HB1 ALA 21 3HB ALA 21 -2.506 -5.262 2.830
129 HB2 ALA 21 1HB ALA 21 -3.038 -4.922 4.477
130 HB3 ALA 21 2HB ALA 21 -4.039 -4.437 3.108
131 H PHE 22 H PHE 22 -4.106 -1.453 3.107
132 HA PHE 22 HA PHE 22 -4.239 -0.785 5.963
133 HB2 PHE 22 1HB PHE 22 -4.018 1.197 3.690
134 HB3 PHE 22 2HB PHE 22 -4.420 1.628 5.349
135 HD1 PHE 22 HD2 PHE 22 -1.777 0.284 3.161
136 HD2 PHE 22 HD1 PHE 22 -2.748 1.816 7.012
137 HE1 PHE 22 HE2 PHE 22 0.619 0.466 3.689
138 HE2 PHE 22 HE1 PHE 22 -0.353 2.000 7.546
139 HZ PHE 22 HZ PHE 22 1.334 1.324 5.884
140 H THR 23 H THR 23 -6.248 -0.244 6.727
141 HA THR 23 HA THR 23 -8.488 -1.121 5.202
142 HB THR 23 HB THR 23 -9.835 -0.303 7.152
143 HG1 THR 23 HG1 THR 23 -8.907 0.892 8.648
144 HG21 THR 23 3HG2 THR 23 -8.851 -1.918 8.782
145 HG22 THR 23 1HG2 THR 23 -7.459 -2.080 7.712
146 HG23 THR 23 2HG2 THR 23 -9.058 -2.579 7.160
147 H ASP 24 H ASP 24 -7.605 2.072 6.527
148 HA ASP 24 HA ASP 24 -9.557 3.321 4.740
149 HB2 ASP 24 1HB ASP 24 -8.153 4.152 7.237
150 HB3 ASP 24 2HB ASP 24 -8.651 5.411 6.110
151 H ARG 25 H ARG 25 -8.972 4.265 2.904
152 HA ARG 25 HA ARG 25 -6.565 4.113 1.679
153 HB2 ARG 25 1HB ARG 25 -8.492 4.873 0.467
154 HB3 ARG 25 2HB ARG 25 -8.616 6.317 1.462
155 HG2 ARG 25 1HG ARG 25 -6.429 7.063 0.550
156 HG3 ARG 25 2HG ARG 25 -6.462 5.674 -0.537
157 HD2 ARG 25 1HD ARG 25 -7.303 7.933 -1.425
158 HD3 ARG 25 2HD ARG 25 -8.281 6.499 -1.734
159 HE ARG 25 HE ARG 25 -8.953 8.738 -0.027
160 HH11 ARG 25 1HH1 ARG 25 -9.642 5.447 -0.931
161 HH12 ARG 25 2HH1 ARG 25 -11.261 5.479 -0.313
162 HH21 ARG 25 1HH2 ARG 25 -11.082 8.792 0.790
163 HH22 ARG 25 2HH2 ARG 25 -12.079 7.382 0.666
164 H SER 26 H SER 26 -7.666 6.980 3.496
165 HA SER 26 HA SER 26 -5.589 8.664 3.321
166 HB2 SER 26 1HB SER 26 -7.527 9.117 4.743
167 HB3 SER 26 2HB SER 26 -6.977 7.911 5.906
168 HG SER 26 HG SER 26 -6.297 10.481 5.739
169 H ASN 27 H ASN 27 -5.688 6.139 5.844
170 HA ASN 27 HA ASN 27 -3.236 6.392 6.954
171 HB2 ASN 27 1HB ASN 27 -4.749 3.879 6.251
172 HB3 ASN 27 2HB ASN 27 -3.253 3.843 7.179
173 HD21 ASN 27 1HD2 ASN 27 -4.642 2.856 8.802
174 HD22 ASN 27 2HD2 ASN 27 -5.543 3.880 9.864
175 H LEU 28 H LEU 28 -3.885 4.365 4.090
176 HA LEU 28 HA LEU 28 -1.329 3.540 3.525
177 HB2 LEU 28 1HB LEU 28 -3.163 2.677 2.280
178 HB3 LEU 28 2HB LEU 28 -3.580 4.276 1.669
179 HG LEU 28 HG LEU 28 -1.406 4.251 0.407
180 HD11 LEU 28 1HD1 LEU 28 -0.448 1.978 0.001
181 HD12 LEU 28 2HD1 LEU 28 -1.411 1.394 1.358
182 HD13 LEU 28 3HD1 LEU 28 -0.168 2.617 1.622
183 HD21 LEU 28 3HD2 LEU 28 -2.299 3.045 -1.409
184 HD22 LEU 28 1HD2 LEU 28 -3.693 3.649 -0.512
185 HD23 LEU 28 2HD2 LEU 28 -3.204 1.963 -0.349
186 H ILE 29 H ILE 29 -2.905 6.497 2.314
187 HA ILE 29 HA ILE 29 -0.830 7.524 0.813
188 HB ILE 29 HB ILE 29 -2.752 9.114 2.517
189 HG12 ILE 29 1HG1 ILE 29 -3.021 8.411 -0.405
190 HG13 ILE 29 2HG1 ILE 29 -3.738 7.436 0.873
191 HG21 ILE 29 1HG2 ILE 29 -1.387 9.998 -0.010
192 HG22 ILE 29 2HG2 ILE 29 -2.276 10.978 1.154
193 HG23 ILE 29 3HG2 ILE 29 -0.709 10.296 1.590
194 HD11 ILE 29 3HD1 ILE 29 -4.444 10.175 1.259
195 HD12 ILE 29 1HD1 ILE 29 -4.816 9.691 -0.395
196 HD13 ILE 29 2HD1 ILE 29 -5.485 8.782 0.961
197 H LYS 30 H LYS 30 -1.430 7.929 4.287
198 HA LYS 30 HA LYS 30 0.773 9.632 4.775
199 HB2 LYS 30 1HB LYS 30 -0.848 9.667 6.450
200 HB3 LYS 30 2HB LYS 30 -0.979 7.913 6.498
201 HG2 LYS 30 1HG LYS 30 1.308 7.843 7.487
202 HG3 LYS 30 2HG LYS 30 1.259 9.604 7.585
203 HD2 LYS 30 1HD LYS 30 -0.732 7.743 8.880
204 HD3 LYS 30 2HD LYS 30 0.631 8.500 9.708
205 HE2 LYS 30 1HE LYS 30 -1.561 10.017 8.300
206 HE3 LYS 30 2HE LYS 30 -1.544 9.675 10.030
207 HZ1 LYS 30 3HZ LYS 30 0.895 10.773 9.581
208 HZ2 LYS 30 1HZ LYS 30 -0.449 11.591 10.203
209 HZ3 LYS 30 2HZ LYS 30 -0.104 11.666 8.549
210 H HIS 31 H HIS 31 0.413 6.148 4.668
211 HA HIS 31 HA HIS 31 2.909 5.516 5.868
212 HB2 HIS 31 1HB HIS 31 1.461 3.712 5.894
213 HB3 HIS 31 2HB HIS 31 0.883 4.018 4.259
214 HD1 HIS 31 HD1 HIS 31 3.748 2.448 6.120
215 HD2 HIS 31 HD2 HIS 31 2.269 2.717 2.247
216 HE1 HIS 31 HE1 HIS 31 5.068 0.780 4.778
217 H GLN 32 H GLN 32 1.855 6.001 2.533
218 HA GLN 32 HA GLN 32 4.138 5.141 1.201
219 HB2 GLN 32 1HB GLN 32 2.016 7.159 0.571
220 HB3 GLN 32 2HB GLN 32 3.410 7.005 -0.490
221 HG2 GLN 32 1HG GLN 32 2.893 4.620 -0.787
222 HG3 GLN 32 2HG GLN 32 1.463 4.824 0.224
223 HE21 GLN 32 1HE2 GLN 32 -0.332 5.826 -0.600
224 HE22 GLN 32 2HE2 GLN 32 -0.508 6.224 -2.272
225 H LYS 33 H LYS 33 3.707 7.841 3.242
226 HA LYS 33 HA LYS 33 5.572 9.651 2.194
227 HB2 LYS 33 1HB LYS 33 4.681 9.145 5.034
228 HB3 LYS 33 2HB LYS 33 5.725 10.482 4.573
229 HG2 LYS 33 1HG LYS 33 2.994 10.036 3.398
230 HG3 LYS 33 2HG LYS 33 3.297 11.043 4.816
231 HD2 LYS 33 1HD LYS 33 4.894 12.376 3.432
232 HD3 LYS 33 2HD LYS 33 4.377 11.441 2.027
233 HE2 LYS 33 1HE LYS 33 2.145 12.266 2.210
234 HE3 LYS 33 2HE LYS 33 2.485 13.005 3.774
235 HZ1 LYS 33 3HZ LYS 33 2.450 14.576 1.864
236 HZ2 LYS 33 1HZ LYS 33 3.831 13.811 1.257
237 HZ3 LYS 33 2HZ LYS 33 3.890 14.601 2.750
238 H ILE 34 H ILE 34 6.004 6.632 3.764
239 HA ILE 34 HA ILE 34 8.666 7.111 4.717
240 HB ILE 34 HB ILE 34 8.731 4.853 5.358
241 HG12 ILE 34 1HG1 ILE 34 6.437 4.314 3.460
242 HG13 ILE 34 2HG1 ILE 34 8.123 3.919 3.143
243 HG21 ILE 34 1HG2 ILE 34 6.363 6.385 5.838
244 HG22 ILE 34 2HG2 ILE 34 5.964 4.668 5.823
245 HG23 ILE 34 3HG2 ILE 34 7.208 5.274 6.916
246 HD11 ILE 34 3HD1 ILE 34 6.265 2.707 5.154
247 HD12 ILE 34 1HD1 ILE 34 7.147 1.920 3.846
248 HD13 ILE 34 2HD1 ILE 34 8.014 2.515 5.262
249 H HIS 35 H HIS 35 7.232 6.013 1.745
250 HA HIS 35 HA HIS 35 9.793 5.110 0.687
251 HB2 HIS 35 1HB HIS 35 7.126 5.237 -0.730
252 HB3 HIS 35 2HB HIS 35 8.554 4.334 -1.229
253 HD1 HIS 35 HD1 HIS 35 9.311 2.539 0.850
254 HD2 HIS 35 HD2 HIS 35 5.319 3.609 0.421
255 HE1 HIS 35 HE1 HIS 35 8.002 0.735 2.016
256 H THR 36 H THR 36 7.982 7.953 0.866
257 HA THR 36 HA THR 36 8.966 9.082 -1.622
258 HB THR 36 HB THR 36 7.638 10.979 -1.178
259 HG1 THR 36 HG1 THR 36 7.963 10.189 1.485
260 HG21 THR 36 3HG2 THR 36 6.530 8.420 -1.072
261 HG22 THR 36 1HG2 THR 36 5.690 9.923 -1.452
262 HG23 THR 36 2HG2 THR 36 5.715 9.321 0.206
263 H GLY 37 H GLY 37 10.683 10.400 -1.840
264 HA2 GLY 37 1HA GLY 37 12.463 11.755 -1.282
265 HA3 GLY 37 2HA GLY 37 11.768 11.923 0.324
266 H GLU 38 H GLU 38 12.629 8.880 -1.227
267 HA GLU 38 HA GLU 38 13.874 7.734 0.926
268 HB2 GLU 38 1HB GLU 38 13.274 6.677 -1.317
269 HB3 GLU 38 2HB GLU 38 14.818 7.283 -1.900
270 HG2 GLU 38 1HG GLU 38 16.039 5.860 -0.549
271 HG3 GLU 38 2HG GLU 38 14.700 5.609 0.569
272 H LYS 39 H LYS 39 15.490 9.480 -1.726
273 HA LYS 39 HA LYS 39 17.502 10.455 0.111
274 HB2 LYS 39 1HB LYS 39 19.399 9.584 -1.173
275 HB3 LYS 39 2HB LYS 39 18.426 8.278 -0.509
276 HG2 LYS 39 1HG LYS 39 17.273 8.227 -2.793
277 HG3 LYS 39 2HG LYS 39 18.634 9.203 -3.351
278 HD2 LYS 39 1HD LYS 39 20.187 7.498 -2.859
279 HD3 LYS 39 2HD LYS 39 19.018 6.606 -1.884
280 HE2 LYS 39 1HE LYS 39 18.623 7.092 -4.824
281 HE3 LYS 39 2HE LYS 39 19.524 5.704 -4.213
282 HZ1 LYS 39 3HZ LYS 39 17.420 4.852 -4.399
283 HZ2 LYS 39 1HZ LYS 39 16.657 6.303 -3.983
284 HZ3 LYS 39 2HZ LYS 39 17.397 5.365 -2.787
285 HA PRO 40 HA PRO 40 17.252 13.910 -2.604
286 HB2 PRO 40 1HB PRO 40 19.569 15.156 -1.936
287 HB3 PRO 40 2HB PRO 40 18.150 15.139 -0.882
288 HG2 PRO 40 1HG PRO 40 20.609 13.435 -0.776
289 HG3 PRO 40 2HG PRO 40 19.731 14.216 0.552
290 HD2 PRO 40 1HD PRO 40 19.446 11.588 -0.037
291 HD3 PRO 40 2HD PRO 40 18.121 12.568 0.623
292 H SER 41 H SER 41 19.386 11.390 -2.995
293 HA SER 41 HA SER 41 20.724 12.623 -5.302
294 HB2 SER 41 1HB SER 41 22.273 10.701 -5.195
295 HB3 SER 41 2HB SER 41 22.229 11.589 -3.672
296 HG SER 41 HG SER 41 21.098 9.082 -4.297
297 H GLY 42 H GLY 42 20.469 11.843 -7.347
298 HA2 GLY 42 1HA GLY 42 19.327 10.860 -9.086
299 HA3 GLY 42 2HA GLY 42 19.578 9.378 -8.175
300 HA PRO 43 HA PRO 43 15.191 11.184 -7.082
301 HB2 PRO 43 1HB PRO 43 14.159 12.828 -8.980
302 HB3 PRO 43 2HB PRO 43 15.088 13.421 -7.598
303 HG2 PRO 43 1HG PRO 43 15.980 12.947 -10.415
304 HG3 PRO 43 2HG PRO 43 16.344 14.309 -9.341
305 HD2 PRO 43 1HD PRO 43 18.089 12.282 -9.765
306 HD3 PRO 43 2HD PRO 43 17.988 13.148 -8.218
307 H SER 44 H SER 44 13.615 9.762 -7.494
308 HA SER 44 HA SER 44 13.594 8.430 -10.104
309 HB2 SER 44 1HB SER 44 13.775 7.133 -7.905
310 HB3 SER 44 2HB SER 44 12.083 7.554 -7.643
311 HG SER 44 HG SER 44 12.061 5.616 -8.674
312 H SER 45 H SER 45 11.308 9.767 -7.723
313 HA SER 45 HA SER 45 8.943 9.518 -9.050
314 HB2 SER 45 1HB SER 45 8.107 11.338 -7.761
315 HB3 SER 45 2HB SER 45 9.357 10.582 -6.774
316 HG SER 45 HG SER 45 10.224 12.486 -6.718
317 H GLY 46 H GLY 46 8.360 10.000 -11.054
318 HA2 GLY 46 1HA GLY 46 9.838 11.820 -12.687
319 HA3 GLY 46 2HA GLY 46 8.357 10.988 -13.136
Start of MODEL 9
1 H1 GLY 1 H GLY 1 8.700 -15.834 -4.363
2 HA2 GLY 1 1HA GLY 1 11.053 -15.013 -2.958
3 HA3 GLY 1 2HA GLY 1 9.716 -13.905 -2.686
4 H SER 2 H SER 2 10.429 -14.874 -0.451
5 HA SER 2 HA SER 2 8.796 -17.270 0.072
6 HB2 SER 2 1HB SER 2 11.277 -16.204 1.408
7 HB3 SER 2 2HB SER 2 10.214 -17.348 2.228
8 HG SER 2 HG SER 2 10.524 -18.488 0.002
9 H SER 3 H SER 3 6.838 -16.208 0.367
10 HA SER 3 HA SER 3 6.539 -14.934 2.959
11 HB2 SER 3 1HB SER 3 5.200 -13.051 1.955
12 HB3 SER 3 2HB SER 3 6.928 -12.983 1.609
13 HG SER 3 HG SER 3 6.111 -12.724 -0.351
14 H GLY 4 H GLY 4 5.013 -16.143 3.866
15 HA2 GLY 4 1HA GLY 4 2.949 -17.380 2.226
16 HA3 GLY 4 2HA GLY 4 3.252 -17.688 3.929
17 H SER 5 H SER 5 2.819 -15.677 5.355
18 HA SER 5 HA SER 5 0.348 -14.371 4.421
19 HB2 SER 5 1HB SER 5 0.152 -16.275 6.197
20 HB3 SER 5 2HB SER 5 0.771 -15.059 7.314
21 HG SER 5 HG SER 5 -1.407 -14.840 7.374
22 H SER 6 H SER 6 1.270 -12.418 3.920
23 HA SER 6 HA SER 6 3.011 -11.080 5.806
24 HB2 SER 6 1HB SER 6 3.218 -9.356 4.131
25 HB3 SER 6 2HB SER 6 3.323 -10.920 3.322
26 HG SER 6 HG SER 6 1.014 -10.644 2.899
27 H GLY 7 H GLY 7 -0.302 -11.404 5.400
28 HA2 GLY 7 1HA GLY 7 -1.891 -10.494 6.888
29 HA3 GLY 7 2HA GLY 7 -0.773 -9.186 7.245
30 H THR 8 H THR 8 -2.228 -10.442 4.243
31 HA THR 8 HA THR 8 -3.819 -8.098 3.854
32 HB THR 8 HB THR 8 -1.577 -7.222 3.232
33 HG1 THR 8 HG1 THR 8 -3.080 -7.433 0.853
34 HG21 THR 8 3HG2 THR 8 -1.588 -9.660 1.587
35 HG22 THR 8 1HG2 THR 8 -0.233 -8.738 2.238
36 HG23 THR 8 2HG2 THR 8 -1.032 -8.207 0.758
37 H GLY 9 H GLY 9 -5.262 -8.288 2.107
38 HA2 GLY 9 1HA GLY 9 -5.293 -9.933 -0.034
39 HA3 GLY 9 2HA GLY 9 -5.719 -11.022 1.278
40 H GLU 10 H GLU 10 -7.211 -9.123 2.814
41 HA GLU 10 HA GLU 10 -9.635 -9.060 1.172
42 HB2 GLU 10 1HB GLU 10 -9.141 -9.052 4.137
43 HB3 GLU 10 2HB GLU 10 -10.700 -8.577 3.478
44 HG2 GLU 10 1HG GLU 10 -10.908 -10.755 2.395
45 HG3 GLU 10 2HG GLU 10 -9.346 -11.232 3.057
46 H ARG 11 H ARG 11 -7.415 -6.998 2.889
47 HA ARG 11 HA ARG 11 -8.886 -4.673 3.169
48 HB2 ARG 11 1HB ARG 11 -5.963 -4.959 2.449
49 HB3 ARG 11 2HB ARG 11 -6.717 -3.479 3.027
50 HG2 ARG 11 1HG ARG 11 -6.708 -6.041 4.599
51 HG3 ARG 11 2HG ARG 11 -5.456 -4.805 4.743
52 HD2 ARG 11 1HD ARG 11 -6.931 -3.243 5.645
53 HD3 ARG 11 2HD ARG 11 -8.351 -4.103 5.050
54 HE ARG 11 HE ARG 11 -8.351 -5.318 6.978
55 HH11 ARG 11 1HH1 ARG 11 -5.179 -3.958 6.523
56 HH12 ARG 11 2HH1 ARG 11 -4.580 -4.511 8.052
57 HH21 ARG 11 1HH2 ARG 11 -7.574 -6.051 8.993
58 HH22 ARG 11 2HH2 ARG 11 -5.943 -5.702 9.456
59 HA PRO 12 HA PRO 12 -9.783 -3.318 -0.922
60 HB2 PRO 12 1HB PRO 12 -10.123 -0.669 -0.433
61 HB3 PRO 12 2HB PRO 12 -11.305 -1.894 0.045
62 HG2 PRO 12 1HG PRO 12 -9.197 -0.550 1.692
63 HG3 PRO 12 2HG PRO 12 -10.883 -0.910 2.109
64 HD2 PRO 12 1HD PRO 12 -8.813 -2.435 2.961
65 HD3 PRO 12 2HD PRO 12 -10.419 -3.110 2.617
66 H TYR 13 H TYR 13 -7.593 -1.123 0.851
67 HA TYR 13 HA TYR 13 -6.168 -0.577 -1.645
68 HB2 TYR 13 1HB TYR 13 -5.554 0.738 0.984
69 HB3 TYR 13 2HB TYR 13 -5.335 1.366 -0.646
70 HD1 TYR 13 HD1 TYR 13 -7.347 2.087 -1.958
71 HD2 TYR 13 HD2 TYR 13 -7.568 1.102 2.175
72 HE1 TYR 13 HE1 TYR 13 -9.499 3.267 -1.798
73 HE2 TYR 13 HE2 TYR 13 -9.721 2.278 2.346
74 HH TYR 13 HH TYR 13 -11.211 3.552 1.298
75 H ILE 14 H ILE 14 -3.840 -0.642 -1.704
76 HA ILE 14 HA ILE 14 -2.427 -2.067 0.372
77 HB ILE 14 HB ILE 14 -2.910 -3.336 -2.319
78 HG12 ILE 14 1HG1 ILE 14 -3.270 -5.311 -0.585
79 HG13 ILE 14 2HG1 ILE 14 -3.581 -3.976 0.519
80 HG21 ILE 14 1HG2 ILE 14 -1.250 -5.007 -0.820
81 HG22 ILE 14 2HG2 ILE 14 -0.830 -4.114 -2.281
82 HG23 ILE 14 3HG2 ILE 14 -0.534 -3.400 -0.696
83 HD11 ILE 14 3HD1 ILE 14 -5.238 -5.080 -1.591
84 HD12 ILE 14 1HD1 ILE 14 -5.679 -4.090 -0.199
85 HD13 ILE 14 2HD1 ILE 14 -5.092 -3.325 -1.676
86 H CYS 15 H CYS 15 -0.472 -1.202 0.515
87 HA CYS 15 HA CYS 15 0.510 0.737 -1.238
88 HB2 CYS 15 1HB CYS 15 1.180 0.335 1.182
89 HB3 CYS 15 2HB CYS 15 2.229 -0.947 0.585
90 H THR 16 H THR 16 0.972 0.370 -3.309
91 HA THR 16 HA THR 16 2.044 -2.166 -4.193
92 HB THR 16 HB THR 16 1.793 -1.361 -6.422
93 HG1 THR 16 HG1 THR 16 1.923 1.137 -5.176
94 HG21 THR 16 3HG2 THR 16 -0.577 -0.020 -5.934
95 HG22 THR 16 1HG2 THR 16 -0.357 -1.012 -4.493
96 HG23 THR 16 2HG2 THR 16 -0.383 -1.766 -6.087
97 H VAL 17 H VAL 17 3.738 -0.727 -2.406
98 HA VAL 17 HA VAL 17 6.034 -0.244 -4.186
99 HB VAL 17 HB VAL 17 5.388 1.265 -1.649
100 HG11 VAL 17 1HG1 VAL 17 7.430 2.390 -1.843
101 HG12 VAL 17 2HG1 VAL 17 7.839 0.698 -2.134
102 HG13 VAL 17 3HG1 VAL 17 7.692 1.817 -3.490
103 HG21 VAL 17 3HG2 VAL 17 5.297 1.989 -4.559
104 HG22 VAL 17 1HG2 VAL 17 4.049 2.185 -3.328
105 HG23 VAL 17 2HG2 VAL 17 5.477 3.219 -3.309
106 H CYS 18 H CYS 18 5.005 -1.104 -0.898
107 HA CYS 18 HA CYS 18 7.489 -2.661 -0.609
108 HB2 CYS 18 1HB CYS 18 7.232 -2.428 1.805
109 HB3 CYS 18 2HB CYS 18 7.243 -0.842 1.040
110 H GLY 19 H GLY 19 3.993 -2.674 -0.113
111 HA2 GLY 19 1HA GLY 19 2.838 -4.751 -0.750
112 HA3 GLY 19 2HA GLY 19 4.131 -5.621 0.062
113 H LYS 20 H LYS 20 2.432 -2.745 1.213
114 HA LYS 20 HA LYS 20 1.536 -4.318 3.534
115 HB2 LYS 20 1HB LYS 20 3.098 -2.399 3.949
116 HB3 LYS 20 2HB LYS 20 1.849 -1.318 3.343
117 HG2 LYS 20 1HG LYS 20 0.542 -1.559 5.196
118 HG3 LYS 20 2HG LYS 20 1.142 -3.182 5.545
119 HD2 LYS 20 1HD LYS 20 3.383 -1.998 6.042
120 HD3 LYS 20 2HD LYS 20 2.408 -0.529 6.140
121 HE2 LYS 20 1HE LYS 20 2.478 -1.269 8.342
122 HE3 LYS 20 2HE LYS 20 0.931 -1.884 7.761
123 HZ1 LYS 20 3HZ LYS 20 1.758 -3.753 8.717
124 HZ2 LYS 20 1HZ LYS 20 3.374 -3.339 8.437
125 HZ3 LYS 20 2HZ LYS 20 2.428 -3.950 7.176
126 H ALA 21 H ALA 21 -0.537 -3.658 4.509
127 HA ALA 21 HA ALA 21 -2.451 -2.735 2.464
128 HB1 ALA 21 3HB ALA 21 -3.049 -4.736 4.634
129 HB2 ALA 21 1HB ALA 21 -4.078 -4.277 3.278
130 HB3 ALA 21 2HB ALA 21 -2.588 -5.176 2.990
131 H PHE 22 H PHE 22 -4.309 -1.595 3.227
132 HA PHE 22 HA PHE 22 -4.311 -0.685 5.987
133 HB2 PHE 22 1HB PHE 22 -3.962 1.209 3.656
134 HB3 PHE 22 2HB PHE 22 -4.377 1.714 5.290
135 HD1 PHE 22 HD2 PHE 22 -1.748 0.303 3.156
136 HD2 PHE 22 HD1 PHE 22 -2.738 1.763 7.030
137 HE1 PHE 22 HE2 PHE 22 0.643 0.397 3.728
138 HE2 PHE 22 HE1 PHE 22 -0.348 1.860 7.608
139 HZ PHE 22 HZ PHE 22 1.346 1.175 5.957
140 H THR 23 H THR 23 -6.327 -0.440 6.715
141 HA THR 23 HA THR 23 -8.559 -1.137 5.182
142 HB THR 23 HB THR 23 -8.694 0.541 7.686
143 HG1 THR 23 HG1 THR 23 -7.874 -2.103 7.311
144 HG21 THR 23 3HG2 THR 23 -10.538 -1.710 7.150
145 HG22 THR 23 1HG2 THR 23 -10.710 -0.292 6.117
146 HG23 THR 23 2HG2 THR 23 -10.856 -0.131 7.867
147 H ASP 24 H ASP 24 -7.588 2.077 6.383
148 HA ASP 24 HA ASP 24 -9.506 3.318 4.558
149 HB2 ASP 24 1HB ASP 24 -9.048 3.939 7.093
150 HB3 ASP 24 2HB ASP 24 -7.768 4.919 6.384
151 H ARG 25 H ARG 25 -8.924 4.806 2.979
152 HA ARG 25 HA ARG 25 -6.500 4.309 1.628
153 HB2 ARG 25 1HB ARG 25 -8.384 5.010 0.347
154 HB3 ARG 25 2HB ARG 25 -8.588 6.461 1.319
155 HG2 ARG 25 1HG ARG 25 -7.642 7.223 -0.665
156 HG3 ARG 25 2HG ARG 25 -6.283 7.146 0.458
157 HD2 ARG 25 1HD ARG 25 -5.425 6.162 -1.459
158 HD3 ARG 25 2HD ARG 25 -5.928 4.773 -0.497
159 HE ARG 25 HE ARG 25 -7.458 4.266 -2.114
160 HH11 ARG 25 1HH1 ARG 25 -6.462 7.578 -2.510
161 HH12 ARG 25 2HH1 ARG 25 -7.318 7.794 -4.000
162 HH21 ARG 25 1HH2 ARG 25 -8.590 4.538 -4.075
163 HH22 ARG 25 2HH2 ARG 25 -8.529 6.064 -4.889
164 H SER 26 H SER 26 -7.497 6.804 3.884
165 HA SER 26 HA SER 26 -5.468 8.665 3.496
166 HB2 SER 26 1HB SER 26 -7.539 8.817 5.014
167 HB3 SER 26 2HB SER 26 -6.557 7.994 6.226
168 HG SER 26 HG SER 26 -6.433 10.587 5.318
169 H ASN 27 H ASN 27 -5.552 5.965 5.823
170 HA ASN 27 HA ASN 27 -3.070 6.269 6.967
171 HB2 ASN 27 1HB ASN 27 -4.990 4.486 7.328
172 HB3 ASN 27 2HB ASN 27 -3.971 3.503 6.280
173 HD21 ASN 27 1HD2 ASN 27 -4.331 2.503 8.662
174 HD22 ASN 27 2HD2 ASN 27 -2.953 2.719 9.682
175 H LEU 28 H LEU 28 -3.887 4.703 3.907
176 HA LEU 28 HA LEU 28 -1.339 3.656 3.338
177 HB2 LEU 28 1HB LEU 28 -3.330 2.932 2.159
178 HB3 LEU 28 2HB LEU 28 -3.537 4.544 1.476
179 HG LEU 28 HG LEU 28 -1.417 4.235 0.227
180 HD11 LEU 28 1HD1 LEU 28 -1.341 1.811 1.851
181 HD12 LEU 28 2HD1 LEU 28 -0.038 2.676 1.038
182 HD13 LEU 28 3HD1 LEU 28 -1.032 1.531 0.137
183 HD21 LEU 28 3HD2 LEU 28 -2.461 2.154 -1.115
184 HD22 LEU 28 1HD2 LEU 28 -3.088 3.799 -1.226
185 HD23 LEU 28 2HD2 LEU 28 -3.863 2.631 -0.155
186 H ILE 29 H ILE 29 -2.836 6.766 2.550
187 HA ILE 29 HA ILE 29 -0.759 7.761 0.935
188 HB ILE 29 HB ILE 29 -2.711 9.299 2.653
189 HG12 ILE 29 1HG1 ILE 29 -2.843 8.674 -0.302
190 HG13 ILE 29 2HG1 ILE 29 -3.694 7.750 0.931
191 HG21 ILE 29 1HG2 ILE 29 -1.029 10.221 0.326
192 HG22 ILE 29 2HG2 ILE 29 -2.234 11.185 1.177
193 HG23 ILE 29 3HG2 ILE 29 -0.779 10.650 2.018
194 HD11 ILE 29 3HD1 ILE 29 -4.467 10.165 -0.369
195 HD12 ILE 29 1HD1 ILE 29 -5.381 9.163 0.758
196 HD13 ILE 29 2HD1 ILE 29 -4.338 10.448 1.367
197 H LYS 30 H LYS 30 -1.332 7.948 4.419
198 HA LYS 30 HA LYS 30 0.889 9.651 4.957
199 HB2 LYS 30 1HB LYS 30 -0.758 9.711 6.608
200 HB3 LYS 30 2HB LYS 30 -0.934 7.961 6.634
201 HG2 LYS 30 1HG LYS 30 1.339 7.822 7.650
202 HG3 LYS 30 2HG LYS 30 1.331 9.583 7.769
203 HD2 LYS 30 1HD LYS 30 -0.249 9.600 9.425
204 HD3 LYS 30 2HD LYS 30 -0.989 8.092 8.883
205 HE2 LYS 30 1HE LYS 30 0.554 6.784 9.985
206 HE3 LYS 30 2HE LYS 30 1.786 8.045 9.977
207 HZ1 LYS 30 3HZ LYS 30 -0.691 8.157 11.608
208 HZ2 LYS 30 1HZ LYS 30 0.626 9.216 11.681
209 HZ3 LYS 30 2HZ LYS 30 0.801 7.613 12.190
210 H HIS 31 H HIS 31 0.450 6.206 4.670
211 HA HIS 31 HA HIS 31 2.945 5.507 5.903
212 HB2 HIS 31 1HB HIS 31 1.338 3.802 6.006
213 HB3 HIS 31 2HB HIS 31 0.883 4.000 4.316
214 HD1 HIS 31 HD1 HIS 31 3.614 2.544 6.468
215 HD2 HIS 31 HD2 HIS 31 2.300 2.455 2.528
216 HE1 HIS 31 HE1 HIS 31 4.949 0.726 5.355
217 H GLN 32 H GLN 32 1.763 5.655 2.552
218 HA GLN 32 HA GLN 32 4.030 4.800 1.230
219 HB2 GLN 32 1HB GLN 32 1.923 6.811 0.470
220 HB3 GLN 32 2HB GLN 32 3.229 6.383 -0.627
221 HG2 GLN 32 1HG GLN 32 2.442 3.943 -0.159
222 HG3 GLN 32 2HG GLN 32 0.944 4.731 0.333
223 HE21 GLN 32 1HE2 GLN 32 1.737 2.989 -1.992
224 HE22 GLN 32 2HE2 GLN 32 1.180 3.852 -3.382
225 H LYS 33 H LYS 33 3.602 7.634 3.074
226 HA LYS 33 HA LYS 33 5.404 9.387 1.818
227 HB2 LYS 33 1HB LYS 33 4.763 9.175 4.766
228 HB3 LYS 33 2HB LYS 33 5.478 10.564 3.959
229 HG2 LYS 33 1HG LYS 33 3.332 10.535 2.519
230 HG3 LYS 33 2HG LYS 33 2.676 9.535 3.817
231 HD2 LYS 33 1HD LYS 33 2.071 11.638 4.530
232 HD3 LYS 33 2HD LYS 33 3.621 11.438 5.350
233 HE2 LYS 33 1HE LYS 33 4.525 12.519 3.109
234 HE3 LYS 33 2HE LYS 33 2.889 13.171 3.047
235 HZ1 LYS 33 3HZ LYS 33 3.473 14.695 4.521
236 HZ2 LYS 33 1HZ LYS 33 5.050 14.084 4.560
237 HZ3 LYS 33 2HZ LYS 33 3.891 13.502 5.645
238 H ILE 34 H ILE 34 5.887 6.669 3.948
239 HA ILE 34 HA ILE 34 8.511 7.213 4.789
240 HB ILE 34 HB ILE 34 8.659 4.968 5.480
241 HG12 ILE 34 1HG1 ILE 34 6.430 4.307 3.543
242 HG13 ILE 34 2HG1 ILE 34 8.134 3.954 3.282
243 HG21 ILE 34 1HG2 ILE 34 6.326 6.471 5.965
244 HG22 ILE 34 2HG2 ILE 34 5.828 4.787 5.808
245 HG23 ILE 34 3HG2 ILE 34 7.057 5.236 6.991
246 HD11 ILE 34 3HD1 ILE 34 8.078 2.537 5.325
247 HD12 ILE 34 1HD1 ILE 34 6.335 2.792 5.390
248 HD13 ILE 34 2HD1 ILE 34 7.054 1.963 4.009
249 H HIS 35 H HIS 35 7.247 6.086 1.774
250 HA HIS 35 HA HIS 35 9.846 5.166 0.837
251 HB2 HIS 35 1HB HIS 35 7.253 5.358 -0.705
252 HB3 HIS 35 2HB HIS 35 8.692 4.452 -1.161
253 HD1 HIS 35 HD1 HIS 35 9.333 2.701 1.073
254 HD2 HIS 35 HD2 HIS 35 5.386 3.626 0.162
255 HE1 HIS 35 HE1 HIS 35 7.957 0.861 2.096
256 H THR 36 H THR 36 9.212 8.027 1.510
257 HA THR 36 HA THR 36 9.419 9.348 -1.077
258 HB THR 36 HB THR 36 9.339 11.450 0.209
259 HG1 THR 36 HG1 THR 36 10.304 10.200 2.149
260 HG21 THR 36 3HG2 THR 36 7.189 10.891 -0.340
261 HG22 THR 36 1HG2 THR 36 7.057 10.843 1.417
262 HG23 THR 36 2HG2 THR 36 7.257 9.346 0.507
263 H GLY 37 H GLY 37 11.595 7.669 -0.441
264 HA2 GLY 37 1HA GLY 37 13.732 9.689 -0.181
265 HA3 GLY 37 2HA GLY 37 13.844 8.138 0.637
266 H GLU 38 H GLU 38 15.800 9.040 -1.128
267 HA GLU 38 HA GLU 38 15.349 7.618 -3.636
268 HB2 GLU 38 1HB GLU 38 17.572 9.408 -2.660
269 HB3 GLU 38 2HB GLU 38 17.663 8.523 -4.177
270 HG2 GLU 38 1HG GLU 38 16.112 9.835 -5.203
271 HG3 GLU 38 2HG GLU 38 15.275 10.216 -3.699
272 H LYS 39 H LYS 39 16.688 5.935 -4.366
273 HA LYS 39 HA LYS 39 18.045 4.472 -2.202
274 HB2 LYS 39 1HB LYS 39 17.704 2.486 -3.804
275 HB3 LYS 39 2HB LYS 39 16.299 3.104 -2.946
276 HG2 LYS 39 1HG LYS 39 15.653 4.374 -4.943
277 HG3 LYS 39 2HG LYS 39 17.045 3.709 -5.801
278 HD2 LYS 39 1HD LYS 39 16.006 1.415 -5.052
279 HD3 LYS 39 2HD LYS 39 14.525 2.369 -4.932
280 HE2 LYS 39 1HE LYS 39 16.190 2.587 -7.395
281 HE3 LYS 39 2HE LYS 39 15.186 1.155 -7.171
282 HZ1 LYS 39 3HZ LYS 39 13.269 2.641 -6.864
283 HZ2 LYS 39 1HZ LYS 39 13.974 2.807 -8.393
284 HZ3 LYS 39 2HZ LYS 39 14.254 3.974 -7.201
285 HA PRO 40 HA PRO 40 21.420 5.801 -5.065
286 HB2 PRO 40 1HB PRO 40 23.200 6.313 -3.080
287 HB3 PRO 40 2HB PRO 40 22.014 7.499 -3.637
288 HG2 PRO 40 1HG PRO 40 21.915 5.700 -1.246
289 HG3 PRO 40 2HG PRO 40 21.471 7.412 -1.377
290 HD2 PRO 40 1HD PRO 40 19.632 5.424 -1.396
291 HD3 PRO 40 2HD PRO 40 19.412 6.936 -2.299
292 H SER 41 H SER 41 21.974 3.857 -5.943
293 HA SER 41 HA SER 41 23.704 2.130 -4.310
294 HB2 SER 41 1HB SER 41 22.686 0.140 -5.140
295 HB3 SER 41 2HB SER 41 21.365 1.180 -4.607
296 HG SER 41 HG SER 41 22.190 0.548 -7.223
297 H GLY 42 H GLY 42 25.298 0.951 -5.480
298 HA2 GLY 42 1HA GLY 42 25.852 0.612 -8.048
299 HA3 GLY 42 2HA GLY 42 26.130 2.342 -7.908
300 HA PRO 43 HA PRO 43 30.172 0.331 -7.067
301 HB2 PRO 43 1HB PRO 43 31.627 2.256 -8.311
302 HB3 PRO 43 2HB PRO 43 30.897 0.896 -9.172
303 HG2 PRO 43 1HG PRO 43 29.916 3.711 -8.898
304 HG3 PRO 43 2HG PRO 43 29.943 2.671 -10.334
305 HD2 PRO 43 1HD PRO 43 27.704 3.066 -8.863
306 HD3 PRO 43 2HD PRO 43 28.037 1.538 -9.704
307 H SER 44 H SER 44 28.516 2.941 -5.935
308 HA SER 44 HA SER 44 30.738 3.743 -4.172
309 HB2 SER 44 1HB SER 44 29.689 5.978 -4.020
310 HB3 SER 44 2HB SER 44 30.155 5.582 -5.675
311 HG SER 44 HG SER 44 28.099 5.447 -6.243
312 H SER 45 H SER 45 30.389 2.774 -2.281
313 HA SER 45 HA SER 45 27.671 2.377 -1.310
314 HB2 SER 45 1HB SER 45 29.702 0.686 -1.211
315 HB3 SER 45 2HB SER 45 30.080 1.568 0.268
316 HG SER 45 HG SER 45 27.623 1.145 0.589
317 H GLY 46 H GLY 46 26.873 3.215 0.615
318 HA2 GLY 46 1HA GLY 46 27.624 5.829 1.281
319 HA3 GLY 46 2HA GLY 46 26.575 4.801 2.245
Start of MODEL 10
1 H1 GLY 1 H GLY 1 0.891 -16.820 14.820
2 HA2 GLY 1 1HA GLY 1 0.123 -19.436 14.288
3 HA3 GLY 1 2HA GLY 1 0.354 -19.331 16.027
4 H SER 2 H SER 2 -0.898 -17.712 17.198
5 HA SER 2 HA SER 2 -3.440 -17.095 15.838
6 HB2 SER 2 1HB SER 2 -2.972 -17.977 18.693
7 HB3 SER 2 2HB SER 2 -4.509 -17.346 18.103
8 HG SER 2 HG SER 2 -3.156 -19.680 17.226
9 H SER 3 H SER 3 -4.085 -15.036 15.867
10 HA SER 3 HA SER 3 -3.351 -13.221 17.972
11 HB2 SER 3 1HB SER 3 -2.264 -12.729 15.189
12 HB3 SER 3 2HB SER 3 -2.137 -11.626 16.559
13 HG SER 3 HG SER 3 -0.583 -12.808 17.376
14 H GLY 4 H GLY 4 -4.691 -11.456 18.072
15 HA2 GLY 4 1HA GLY 4 -7.218 -11.527 17.071
16 HA3 GLY 4 2HA GLY 4 -6.412 -10.026 17.503
17 H SER 5 H SER 5 -7.780 -11.830 15.005
18 HA SER 5 HA SER 5 -6.324 -10.881 12.783
19 HB2 SER 5 1HB SER 5 -8.201 -11.643 11.442
20 HB3 SER 5 2HB SER 5 -7.888 -12.819 12.718
21 HG SER 5 HG SER 5 -10.087 -11.232 12.287
22 H SER 6 H SER 6 -7.627 -9.575 11.022
23 HA SER 6 HA SER 6 -8.592 -7.117 12.333
24 HB2 SER 6 1HB SER 6 -7.062 -7.430 9.740
25 HB3 SER 6 2HB SER 6 -7.722 -5.907 10.335
26 HG SER 6 HG SER 6 -5.389 -6.689 10.838
27 H GLY 7 H GLY 7 -8.919 -9.176 9.462
28 HA2 GLY 7 1HA GLY 7 -11.746 -8.913 9.420
29 HA3 GLY 7 2HA GLY 7 -11.022 -7.870 8.204
30 H THR 8 H THR 8 -12.751 -9.959 7.560
31 HA THR 8 HA THR 8 -11.247 -12.275 6.767
32 HB THR 8 HB THR 8 -14.030 -11.416 5.950
33 HG1 THR 8 HG1 THR 8 -13.005 -12.934 8.103
34 HG21 THR 8 3HG2 THR 8 -12.421 -13.894 5.470
35 HG22 THR 8 1HG2 THR 8 -13.447 -12.995 4.354
36 HG23 THR 8 2HG2 THR 8 -14.176 -13.995 5.611
37 H GLY 9 H GLY 9 -10.300 -12.702 4.853
38 HA2 GLY 9 1HA GLY 9 -9.765 -12.497 2.604
39 HA3 GLY 9 2HA GLY 9 -10.973 -11.228 2.464
40 H GLU 10 H GLU 10 -9.323 -10.199 1.109
41 HA GLU 10 HA GLU 10 -7.043 -9.089 2.557
42 HB2 GLU 10 1HB GLU 10 -7.775 -9.413 -0.308
43 HB3 GLU 10 2HB GLU 10 -6.737 -8.058 0.114
44 HG2 GLU 10 1HG GLU 10 -6.166 -10.925 0.822
45 HG3 GLU 10 2HG GLU 10 -5.507 -10.087 -0.582
46 H ARG 11 H ARG 11 -6.542 -6.709 1.808
47 HA ARG 11 HA ARG 11 -8.910 -5.145 2.532
48 HB2 ARG 11 1HB ARG 11 -5.956 -4.675 2.732
49 HB3 ARG 11 2HB ARG 11 -7.063 -3.310 2.754
50 HG2 ARG 11 1HG ARG 11 -8.259 -4.499 4.650
51 HG3 ARG 11 2HG ARG 11 -6.857 -5.569 4.717
52 HD2 ARG 11 1HD ARG 11 -5.473 -3.411 4.870
53 HD3 ARG 11 2HD ARG 11 -7.002 -2.619 5.250
54 HE ARG 11 HE ARG 11 -6.804 -3.447 7.357
55 HH11 ARG 11 1HH1 ARG 11 -5.008 -5.509 5.203
56 HH12 ARG 11 2HH1 ARG 11 -4.416 -6.535 6.468
57 HH21 ARG 11 1HH2 ARG 11 -6.031 -4.789 9.032
58 HH22 ARG 11 2HH2 ARG 11 -5.000 -6.125 8.646
59 HA PRO 12 HA PRO 12 -9.367 -3.278 -1.413
60 HB2 PRO 12 1HB PRO 12 -10.107 -0.753 -0.743
61 HB3 PRO 12 2HB PRO 12 -11.172 -2.151 -0.547
62 HG2 PRO 12 1HG PRO 12 -9.486 -0.752 1.494
63 HG3 PRO 12 2HG PRO 12 -11.151 -1.348 1.635
64 HD2 PRO 12 1HD PRO 12 -9.029 -2.704 2.631
65 HD3 PRO 12 2HD PRO 12 -10.476 -3.520 2.005
66 H TYR 13 H TYR 13 -7.542 -1.292 0.907
67 HA TYR 13 HA TYR 13 -5.990 -0.171 -1.316
68 HB2 TYR 13 1HB TYR 13 -5.773 0.720 1.547
69 HB3 TYR 13 2HB TYR 13 -5.421 1.627 0.080
70 HD1 TYR 13 HD1 TYR 13 -7.342 2.380 -1.371
71 HD2 TYR 13 HD2 TYR 13 -7.914 0.791 2.534
72 HE1 TYR 13 HE1 TYR 13 -9.592 3.372 -1.303
73 HE2 TYR 13 HE2 TYR 13 -10.165 1.779 2.613
74 HH TYR 13 HH TYR 13 -11.628 3.111 1.589
75 H ILE 14 H ILE 14 -3.867 -0.580 -1.583
76 HA ILE 14 HA ILE 14 -2.330 -1.838 0.541
77 HB ILE 14 HB ILE 14 -2.681 -3.173 -2.146
78 HG12 ILE 14 1HG1 ILE 14 -3.467 -5.076 -0.578
79 HG13 ILE 14 2HG1 ILE 14 -3.674 -3.806 0.623
80 HG21 ILE 14 1HG2 ILE 14 -1.241 -4.530 0.038
81 HG22 ILE 14 2HG2 ILE 14 -0.931 -4.523 -1.697
82 HG23 ILE 14 3HG2 ILE 14 -0.410 -3.163 -0.704
83 HD11 ILE 14 3HD1 ILE 14 -5.670 -3.381 -0.213
84 HD12 ILE 14 1HD1 ILE 14 -4.922 -2.920 -1.742
85 HD13 ILE 14 2HD1 ILE 14 -5.422 -4.589 -1.473
86 H CYS 15 H CYS 15 -0.381 -0.947 0.599
87 HA CYS 15 HA CYS 15 0.513 0.987 -1.189
88 HB2 CYS 15 1HB CYS 15 1.330 0.664 1.154
89 HB3 CYS 15 2HB CYS 15 2.254 -0.726 0.594
90 H THR 16 H THR 16 1.155 0.801 -3.220
91 HA THR 16 HA THR 16 2.016 -1.769 -4.261
92 HB THR 16 HB THR 16 0.432 -0.417 -5.571
93 HG1 THR 16 HG1 THR 16 1.673 -0.522 -7.560
94 HG21 THR 16 3HG2 THR 16 1.462 1.790 -4.846
95 HG22 THR 16 1HG2 THR 16 0.998 1.665 -6.542
96 HG23 THR 16 2HG2 THR 16 2.692 1.507 -6.077
97 H VAL 17 H VAL 17 3.744 -0.297 -2.394
98 HA VAL 17 HA VAL 17 6.086 0.064 -4.150
99 HB VAL 17 HB VAL 17 5.519 1.459 -1.531
100 HG11 VAL 17 1HG1 VAL 17 7.846 1.099 -1.599
101 HG12 VAL 17 2HG1 VAL 17 7.931 1.454 -3.325
102 HG13 VAL 17 3HG1 VAL 17 7.609 2.750 -2.173
103 HG21 VAL 17 3HG2 VAL 17 5.902 2.782 -4.193
104 HG22 VAL 17 1HG2 VAL 17 4.320 2.182 -3.697
105 HG23 VAL 17 2HG2 VAL 17 5.136 3.415 -2.736
106 H CYS 18 H CYS 18 5.058 -0.855 -0.871
107 HA CYS 18 HA CYS 18 7.443 -2.574 -0.687
108 HB2 CYS 18 1HB CYS 18 7.211 -2.443 1.734
109 HB3 CYS 18 2HB CYS 18 7.285 -0.823 1.049
110 H GLY 19 H GLY 19 3.951 -2.435 -0.177
111 HA2 GLY 19 1HA GLY 19 2.672 -4.399 -0.891
112 HA3 GLY 19 2HA GLY 19 3.937 -5.389 -0.178
113 H LYS 20 H LYS 20 2.472 -2.511 1.242
114 HA LYS 20 HA LYS 20 1.604 -4.168 3.504
115 HB2 LYS 20 1HB LYS 20 3.165 -2.135 3.773
116 HB3 LYS 20 2HB LYS 20 1.729 -1.161 3.487
117 HG2 LYS 20 1HG LYS 20 0.701 -1.891 5.455
118 HG3 LYS 20 2HG LYS 20 1.797 -3.264 5.622
119 HD2 LYS 20 1HD LYS 20 3.659 -1.647 5.981
120 HD3 LYS 20 2HD LYS 20 2.468 -0.344 5.976
121 HE2 LYS 20 1HE LYS 20 2.528 -2.675 7.890
122 HE3 LYS 20 2HE LYS 20 3.055 -1.032 8.253
123 HZ1 LYS 20 3HZ LYS 20 0.982 -0.547 8.803
124 HZ2 LYS 20 1HZ LYS 20 0.467 -2.108 8.401
125 HZ3 LYS 20 2HZ LYS 20 0.465 -0.888 7.229
126 H ALA 21 H ALA 21 -0.454 -3.699 4.518
127 HA ALA 21 HA ALA 21 -2.449 -2.718 2.581
128 HB1 ALA 21 3HB ALA 21 -2.270 -5.226 3.787
129 HB2 ALA 21 1HB ALA 21 -3.576 -4.397 4.636
130 HB3 ALA 21 2HB ALA 21 -3.636 -4.573 2.881
131 H PHE 22 H PHE 22 -4.371 -1.716 3.488
132 HA PHE 22 HA PHE 22 -4.230 -0.775 6.227
133 HB2 PHE 22 1HB PHE 22 -4.061 1.110 3.871
134 HB3 PHE 22 2HB PHE 22 -4.456 1.622 5.508
135 HD1 PHE 22 HD2 PHE 22 -1.821 0.249 3.344
136 HD2 PHE 22 HD1 PHE 22 -2.776 1.822 7.182
137 HE1 PHE 22 HE2 PHE 22 0.578 0.462 3.850
138 HE2 PHE 22 HE1 PHE 22 -0.378 2.038 7.694
139 HZ PHE 22 HZ PHE 22 1.302 1.356 6.027
140 H THR 23 H THR 23 -6.204 -0.277 7.066
141 HA THR 23 HA THR 23 -8.507 -1.252 5.816
142 HB THR 23 HB THR 23 -9.775 -0.189 7.630
143 HG1 THR 23 HG1 THR 23 -8.363 0.985 9.213
144 HG21 THR 23 3HG2 THR 23 -8.515 -2.298 8.028
145 HG22 THR 23 1HG2 THR 23 -8.739 -1.330 9.484
146 HG23 THR 23 2HG2 THR 23 -7.179 -1.336 8.661
147 H ASP 24 H ASP 24 -7.628 2.144 6.478
148 HA ASP 24 HA ASP 24 -9.617 3.002 4.509
149 HB2 ASP 24 1HB ASP 24 -8.060 4.496 6.621
150 HB3 ASP 24 2HB ASP 24 -9.060 5.305 5.417
151 H ARG 25 H ARG 25 -8.939 4.954 3.161
152 HA ARG 25 HA ARG 25 -6.609 4.194 1.651
153 HB2 ARG 25 1HB ARG 25 -8.473 4.894 0.364
154 HB3 ARG 25 2HB ARG 25 -8.686 6.351 1.326
155 HG2 ARG 25 1HG ARG 25 -7.759 7.048 -0.719
156 HG3 ARG 25 2HG ARG 25 -6.441 7.105 0.453
157 HD2 ARG 25 1HD ARG 25 -5.534 6.108 -1.480
158 HD3 ARG 25 2HD ARG 25 -5.813 4.786 -0.346
159 HE ARG 25 HE ARG 25 -8.076 4.788 -1.797
160 HH11 ARG 25 1HH1 ARG 25 -4.712 4.827 -2.696
161 HH12 ARG 25 2HH1 ARG 25 -4.964 3.970 -4.180
162 HH21 ARG 25 1HH2 ARG 25 -8.420 3.658 -3.749
163 HH22 ARG 25 2HH2 ARG 25 -7.074 3.306 -4.778
164 H SER 26 H SER 26 -7.607 7.032 3.540
165 HA SER 26 HA SER 26 -5.422 8.665 3.136
166 HB2 SER 26 1HB SER 26 -7.069 8.290 5.647
167 HB3 SER 26 2HB SER 26 -5.935 9.617 5.396
168 HG SER 26 HG SER 26 -7.892 9.147 3.453
169 H ASN 27 H ASN 27 -5.788 6.009 5.443
170 HA ASN 27 HA ASN 27 -3.363 6.373 6.813
171 HB2 ASN 27 1HB ASN 27 -5.196 4.031 6.406
172 HB3 ASN 27 2HB ASN 27 -3.653 3.812 7.227
173 HD21 ASN 27 1HD2 ASN 27 -6.628 3.851 7.998
174 HD22 ASN 27 2HD2 ASN 27 -6.649 4.817 9.431
175 H LEU 28 H LEU 28 -4.117 4.875 3.759
176 HA LEU 28 HA LEU 28 -1.631 3.483 3.489
177 HB2 LEU 28 1HB LEU 28 -3.517 2.658 2.291
178 HB3 LEU 28 2HB LEU 28 -3.792 4.223 1.529
179 HG LEU 28 HG LEU 28 -1.720 3.942 0.237
180 HD11 LEU 28 1HD1 LEU 28 -1.262 1.856 2.131
181 HD12 LEU 28 2HD1 LEU 28 -0.175 2.501 0.902
182 HD13 LEU 28 3HD1 LEU 28 -1.267 1.174 0.504
183 HD21 LEU 28 3HD2 LEU 28 -2.644 2.555 -1.365
184 HD22 LEU 28 1HD2 LEU 28 -4.059 3.031 -0.426
185 HD23 LEU 28 2HD2 LEU 28 -3.322 1.449 -0.169
186 H ILE 29 H ILE 29 -2.885 6.612 2.476
187 HA ILE 29 HA ILE 29 -0.673 7.290 0.816
188 HB ILE 29 HB ILE 29 -2.572 9.197 2.180
189 HG12 ILE 29 1HG1 ILE 29 -2.865 7.979 -0.569
190 HG13 ILE 29 2HG1 ILE 29 -3.695 7.361 0.855
191 HG21 ILE 29 1HG2 ILE 29 -2.054 10.497 0.020
192 HG22 ILE 29 2HG2 ILE 29 -0.835 10.464 1.292
193 HG23 ILE 29 3HG2 ILE 29 -0.665 9.420 -0.119
194 HD11 ILE 29 3HD1 ILE 29 -5.171 8.775 -0.410
195 HD12 ILE 29 1HD1 ILE 29 -4.787 9.549 1.128
196 HD13 ILE 29 2HD1 ILE 29 -4.004 10.097 -0.355
197 H LYS 30 H LYS 30 -1.486 7.875 4.199
198 HA LYS 30 HA LYS 30 0.725 9.599 4.714
199 HB2 LYS 30 1HB LYS 30 -0.034 9.687 6.889
200 HB3 LYS 30 2HB LYS 30 -1.509 9.236 6.044
201 HG2 LYS 30 1HG LYS 30 -1.119 6.889 6.631
202 HG3 LYS 30 2HG LYS 30 0.342 7.360 7.502
203 HD2 LYS 30 1HD LYS 30 -2.302 8.605 8.165
204 HD3 LYS 30 2HD LYS 30 -1.858 7.030 8.826
205 HE2 LYS 30 1HE LYS 30 0.049 7.940 9.920
206 HE3 LYS 30 2HE LYS 30 -0.116 9.474 9.067
207 HZ1 LYS 30 3HZ LYS 30 -2.011 10.028 10.306
208 HZ2 LYS 30 1HZ LYS 30 -0.921 9.408 11.442
209 HZ3 LYS 30 2HZ LYS 30 -2.207 8.454 10.896
210 H HIS 31 H HIS 31 0.492 6.282 4.203
211 HA HIS 31 HA HIS 31 2.803 5.625 5.863
212 HB2 HIS 31 1HB HIS 31 1.328 3.867 6.045
213 HB3 HIS 31 2HB HIS 31 0.735 4.052 4.397
214 HD1 HIS 31 HD1 HIS 31 3.501 2.478 6.377
215 HD2 HIS 31 HD2 HIS 31 2.113 2.597 2.463
216 HE1 HIS 31 HE1 HIS 31 4.757 0.669 5.164
217 H GLN 32 H GLN 32 1.892 6.050 2.512
218 HA GLN 32 HA GLN 32 4.148 4.890 1.305
219 HB2 GLN 32 1HB GLN 32 2.180 6.983 0.434
220 HB3 GLN 32 2HB GLN 32 3.558 6.573 -0.579
221 HG2 GLN 32 1HG GLN 32 2.797 4.191 -0.494
222 HG3 GLN 32 2HG GLN 32 1.333 4.758 0.308
223 HE21 GLN 32 1HE2 GLN 32 -0.204 4.468 -1.168
224 HE22 GLN 32 2HE2 GLN 32 -0.183 5.110 -2.771
225 H LYS 33 H LYS 33 3.852 7.686 3.186
226 HA LYS 33 HA LYS 33 5.786 9.366 2.026
227 HB2 LYS 33 1HB LYS 33 4.755 9.076 4.841
228 HB3 LYS 33 2HB LYS 33 5.981 10.264 4.421
229 HG2 LYS 33 1HG LYS 33 3.405 10.155 2.910
230 HG3 LYS 33 2HG LYS 33 3.498 10.967 4.474
231 HD2 LYS 33 1HD LYS 33 5.413 12.303 3.567
232 HD3 LYS 33 2HD LYS 33 5.082 11.593 1.986
233 HE2 LYS 33 1HE LYS 33 3.122 12.753 1.725
234 HE3 LYS 33 2HE LYS 33 2.839 12.878 3.461
235 HZ1 LYS 33 3HZ LYS 33 3.797 14.861 3.485
236 HZ2 LYS 33 1HZ LYS 33 3.902 14.809 1.797
237 HZ3 LYS 33 2HZ LYS 33 5.197 14.270 2.742
238 H ILE 34 H ILE 34 6.078 6.424 3.753
239 HA ILE 34 HA ILE 34 8.751 6.850 4.712
240 HB ILE 34 HB ILE 34 8.712 4.641 5.500
241 HG12 ILE 34 1HG1 ILE 34 6.448 4.100 3.564
242 HG13 ILE 34 2HG1 ILE 34 8.110 3.547 3.385
243 HG21 ILE 34 1HG2 ILE 34 7.243 5.713 6.894
244 HG22 ILE 34 2HG2 ILE 34 6.073 6.015 5.610
245 HG23 ILE 34 3HG2 ILE 34 6.223 4.401 6.304
246 HD11 ILE 34 3HD1 ILE 34 5.977 2.590 5.218
247 HD12 ILE 34 1HD1 ILE 34 7.112 1.675 4.226
248 HD13 ILE 34 2HD1 ILE 34 7.662 2.444 5.715
249 H HIS 35 H HIS 35 7.463 6.272 1.685
250 HA HIS 35 HA HIS 35 9.940 4.991 0.739
251 HB2 HIS 35 1HB HIS 35 7.294 5.116 -0.714
252 HB3 HIS 35 2HB HIS 35 8.705 4.157 -1.151
253 HD1 HIS 35 HD1 HIS 35 9.388 2.449 1.031
254 HD2 HIS 35 HD2 HIS 35 5.430 3.579 0.469
255 HE1 HIS 35 HE1 HIS 35 8.019 0.730 2.253
256 H THR 36 H THR 36 9.350 7.886 1.283
257 HA THR 36 HA THR 36 10.699 8.963 -0.963
258 HB THR 36 HB THR 36 8.283 8.699 -1.807
259 HG1 THR 36 HG1 THR 36 8.466 11.072 -2.567
260 HG21 THR 36 3HG2 THR 36 7.815 11.247 -0.290
261 HG22 THR 36 1HG2 THR 36 7.390 9.682 0.403
262 HG23 THR 36 2HG2 THR 36 6.643 10.211 -1.105
263 H GLY 37 H GLY 37 11.542 10.978 -0.536
264 HA2 GLY 37 1HA GLY 37 11.246 13.126 0.671
265 HA3 GLY 37 2HA GLY 37 10.767 12.162 2.060
266 H GLU 38 H GLU 38 12.417 13.203 3.284
267 HA GLU 38 HA GLU 38 15.077 13.443 2.743
268 HB2 GLU 38 1HB GLU 38 14.000 14.233 4.817
269 HB3 GLU 38 2HB GLU 38 13.893 12.573 5.386
270 HG2 GLU 38 1HG GLU 38 15.774 13.923 6.335
271 HG3 GLU 38 2HG GLU 38 16.236 12.390 5.598
272 H LYS 39 H LYS 39 13.448 10.555 4.012
273 HA LYS 39 HA LYS 39 15.484 8.859 4.532
274 HB2 LYS 39 1HB LYS 39 12.864 8.497 4.342
275 HB3 LYS 39 2HB LYS 39 13.307 7.784 2.797
276 HG2 LYS 39 1HG LYS 39 14.562 6.089 3.808
277 HG3 LYS 39 2HG LYS 39 14.623 6.938 5.354
278 HD2 LYS 39 1HD LYS 39 12.501 6.308 5.938
279 HD3 LYS 39 2HD LYS 39 11.957 6.194 4.263
280 HE2 LYS 39 1HE LYS 39 12.055 3.975 4.786
281 HE3 LYS 39 2HE LYS 39 13.703 4.212 4.205
282 HZ1 LYS 39 3HZ LYS 39 14.162 3.209 6.162
283 HZ2 LYS 39 1HZ LYS 39 12.738 3.730 6.913
284 HZ3 LYS 39 2HZ LYS 39 14.047 4.789 6.753
285 HA PRO 40 HA PRO 40 17.914 8.440 0.880
286 HB2 PRO 40 1HB PRO 40 19.157 6.103 1.484
287 HB3 PRO 40 2HB PRO 40 19.567 7.638 2.259
288 HG2 PRO 40 1HG PRO 40 17.833 5.414 3.262
289 HG3 PRO 40 2HG PRO 40 19.051 6.362 4.134
290 HD2 PRO 40 1HD PRO 40 16.397 6.857 4.343
291 HD3 PRO 40 2HD PRO 40 17.620 8.139 4.457
292 H SER 41 H SER 41 17.149 7.871 -1.048
293 HA SER 41 HA SER 41 15.812 5.258 -1.319
294 HB2 SER 41 1HB SER 41 14.474 6.219 -3.117
295 HB3 SER 41 2HB SER 41 14.300 7.195 -1.659
296 HG SER 41 HG SER 41 14.827 8.766 -2.958
297 H GLY 42 H GLY 42 17.770 4.186 -1.801
298 HA2 GLY 42 1HA GLY 42 19.613 4.994 -3.761
299 HA3 GLY 42 2HA GLY 42 19.388 3.346 -3.194
300 HA PRO 43 HA PRO 43 17.731 4.130 -7.625
301 HB2 PRO 43 1HB PRO 43 19.880 3.330 -9.078
302 HB3 PRO 43 2HB PRO 43 19.616 5.011 -8.601
303 HG2 PRO 43 1HG PRO 43 21.386 2.944 -7.354
304 HG3 PRO 43 2HG PRO 43 21.721 4.655 -7.680
305 HD2 PRO 43 1HD PRO 43 21.031 3.749 -5.224
306 HD3 PRO 43 2HD PRO 43 20.584 5.365 -5.806
307 H SER 44 H SER 44 19.158 1.695 -5.744
308 HA SER 44 HA SER 44 19.297 -0.572 -7.202
309 HB2 SER 44 1HB SER 44 18.109 -0.129 -4.468
310 HB3 SER 44 2HB SER 44 18.242 -1.743 -5.165
311 HG SER 44 HG SER 44 20.207 -0.067 -4.184
312 H SER 45 H SER 45 17.964 -0.659 -8.986
313 HA SER 45 HA SER 45 15.149 -1.285 -8.410
314 HB2 SER 45 1HB SER 45 15.445 1.032 -9.386
315 HB3 SER 45 2HB SER 45 16.049 0.257 -10.850
316 HG SER 45 HG SER 45 13.779 0.723 -10.907
317 H GLY 46 H GLY 46 17.462 -3.014 -8.815
318 HA2 GLY 46 1HA GLY 46 16.475 -5.099 -10.203
319 HA3 GLY 46 2HA GLY 46 17.174 -4.116 -11.480
Start of MODEL 11
1 H1 GLY 1 H GLY 1 8.157 -20.854 12.714
2 HA2 GLY 1 1HA GLY 1 6.354 -22.210 13.223
3 HA3 GLY 1 2HA GLY 1 6.650 -21.899 14.927
4 H SER 2 H SER 2 4.981 -20.977 15.890
5 HA SER 2 HA SER 2 2.707 -20.000 14.755
6 HB2 SER 2 1HB SER 2 2.871 -20.399 17.147
7 HB3 SER 2 2HB SER 2 4.009 -19.063 17.323
8 HG SER 2 HG SER 2 2.282 -17.918 17.655
9 H SER 3 H SER 3 2.491 -18.500 13.237
10 HA SER 3 HA SER 3 3.480 -15.822 13.715
11 HB2 SER 3 1HB SER 3 4.313 -17.333 11.226
12 HB3 SER 3 2HB SER 3 4.641 -15.633 11.562
13 HG SER 3 HG SER 3 6.152 -16.182 12.965
14 H GLY 4 H GLY 4 1.687 -14.670 13.451
15 HA2 GLY 4 1HA GLY 4 0.004 -15.256 11.093
16 HA3 GLY 4 2HA GLY 4 -0.687 -14.842 12.655
17 H SER 5 H SER 5 -1.213 -13.461 10.244
18 HA SER 5 HA SER 5 0.339 -11.012 10.320
19 HB2 SER 5 1HB SER 5 -1.147 -10.308 8.455
20 HB3 SER 5 2HB SER 5 -0.353 -11.851 8.143
21 HG SER 5 HG SER 5 -2.970 -11.301 8.228
22 H SER 6 H SER 6 -1.242 -8.967 9.988
23 HA SER 6 HA SER 6 -2.582 -8.710 12.538
24 HB2 SER 6 1HB SER 6 -1.862 -6.789 10.336
25 HB3 SER 6 2HB SER 6 -2.949 -6.308 11.639
26 HG SER 6 HG SER 6 -0.232 -7.037 11.768
27 H GLY 7 H GLY 7 -3.989 -10.538 11.192
28 HA2 GLY 7 1HA GLY 7 -6.486 -10.432 11.301
29 HA3 GLY 7 2HA GLY 7 -6.354 -9.064 10.205
30 H THR 8 H THR 8 -7.659 -11.778 10.006
31 HA THR 8 HA THR 8 -6.210 -13.174 7.957
32 HB THR 8 HB THR 8 -8.273 -14.547 7.746
33 HG1 THR 8 HG1 THR 8 -10.069 -13.698 8.451
34 HG21 THR 8 3HG2 THR 8 -8.275 -15.119 10.359
35 HG22 THR 8 1HG2 THR 8 -6.825 -14.119 10.297
36 HG23 THR 8 2HG2 THR 8 -6.944 -15.562 9.291
37 H GLY 9 H GLY 9 -9.219 -11.260 8.017
38 HA2 GLY 9 1HA GLY 9 -9.932 -11.381 5.368
39 HA3 GLY 9 2HA GLY 9 -10.191 -9.968 6.380
40 H GLU 10 H GLU 10 -9.783 -9.631 3.710
41 HA GLU 10 HA GLU 10 -6.984 -8.753 3.485
42 HB2 GLU 10 1HB GLU 10 -7.831 -10.328 1.749
43 HB3 GLU 10 2HB GLU 10 -9.017 -9.119 1.279
44 HG2 GLU 10 1HG GLU 10 -7.300 -7.617 0.563
45 HG3 GLU 10 2HG GLU 10 -6.044 -8.673 1.207
46 H ARG 11 H ARG 11 -6.581 -6.695 2.405
47 HA ARG 11 HA ARG 11 -8.688 -4.734 3.028
48 HB2 ARG 11 1HB ARG 11 -5.684 -4.407 2.950
49 HB3 ARG 11 2HB ARG 11 -6.820 -3.088 3.198
50 HG2 ARG 11 1HG ARG 11 -6.730 -5.490 4.996
51 HG3 ARG 11 2HG ARG 11 -5.727 -4.062 5.261
52 HD2 ARG 11 1HD ARG 11 -7.651 -3.771 6.602
53 HD3 ARG 11 2HD ARG 11 -7.860 -2.710 5.208
54 HE ARG 11 HE ARG 11 -9.672 -3.958 4.571
55 HH11 ARG 11 1HH1 ARG 11 -7.851 -5.716 6.961
56 HH12 ARG 11 2HH1 ARG 11 -9.044 -6.959 7.145
57 HH21 ARG 11 1HH2 ARG 11 -11.251 -5.588 4.805
58 HH22 ARG 11 2HH2 ARG 11 -10.977 -6.886 5.918
59 HA PRO 12 HA PRO 12 -8.978 -3.704 -1.239
60 HB2 PRO 12 1HB PRO 12 -9.915 -1.166 -1.018
61 HB3 PRO 12 2HB PRO 12 -10.909 -2.589 -0.687
62 HG2 PRO 12 1HG PRO 12 -9.477 -0.790 1.230
63 HG3 PRO 12 2HG PRO 12 -11.110 -1.472 1.343
64 HD2 PRO 12 1HD PRO 12 -9.000 -2.514 2.683
65 HD3 PRO 12 2HD PRO 12 -10.342 -3.513 2.088
66 H TYR 13 H TYR 13 -7.602 -1.112 0.793
67 HA TYR 13 HA TYR 13 -5.992 -0.158 -1.423
68 HB2 TYR 13 1HB TYR 13 -5.869 0.817 1.427
69 HB3 TYR 13 2HB TYR 13 -5.426 1.684 -0.039
70 HD1 TYR 13 HD1 TYR 13 -7.156 2.627 -1.497
71 HD2 TYR 13 HD2 TYR 13 -8.166 0.671 2.144
72 HE1 TYR 13 HE1 TYR 13 -9.406 3.614 -1.598
73 HE2 TYR 13 HE2 TYR 13 -10.420 1.651 2.052
74 HH TYR 13 HH TYR 13 -11.846 2.753 -0.459
75 H ILE 14 H ILE 14 -3.970 -0.757 -1.822
76 HA ILE 14 HA ILE 14 -2.348 -1.865 0.362
77 HB ILE 14 HB ILE 14 -2.153 -3.079 -2.366
78 HG12 ILE 14 1HG1 ILE 14 -4.516 -3.275 -1.814
79 HG13 ILE 14 2HG1 ILE 14 -3.736 -4.845 -1.655
80 HG21 ILE 14 1HG2 ILE 14 -1.541 -3.999 0.435
81 HG22 ILE 14 2HG2 ILE 14 -1.448 -5.045 -0.980
82 HG23 ILE 14 3HG2 ILE 14 -0.396 -3.635 -0.856
83 HD11 ILE 14 3HD1 ILE 14 -3.600 -3.574 0.862
84 HD12 ILE 14 1HD1 ILE 14 -5.249 -3.402 0.261
85 HD13 ILE 14 2HD1 ILE 14 -4.523 -5.004 0.400
86 H CYS 15 H CYS 15 -0.061 -1.737 0.027
87 HA CYS 15 HA CYS 15 0.676 0.563 -1.610
88 HB2 CYS 15 1HB CYS 15 1.373 0.542 0.744
89 HB3 CYS 15 2HB CYS 15 2.256 -0.957 0.476
90 H THR 16 H THR 16 1.445 0.261 -3.582
91 HA THR 16 HA THR 16 2.476 -2.330 -4.385
92 HB THR 16 HB THR 16 2.630 -1.268 -6.658
93 HG1 THR 16 HG1 THR 16 2.637 0.946 -5.501
94 HG21 THR 16 3HG2 THR 16 0.326 -1.450 -7.099
95 HG22 THR 16 1HG2 THR 16 -0.114 -0.893 -5.485
96 HG23 THR 16 2HG2 THR 16 0.597 -2.492 -5.703
97 H VAL 17 H VAL 17 4.065 -0.870 -2.498
98 HA VAL 17 HA VAL 17 6.493 -0.475 -4.119
99 HB VAL 17 HB VAL 17 5.712 1.090 -1.655
100 HG11 VAL 17 1HG1 VAL 17 8.110 1.666 -3.344
101 HG12 VAL 17 2HG1 VAL 17 7.785 2.112 -1.668
102 HG13 VAL 17 3HG1 VAL 17 8.196 0.445 -2.074
103 HG21 VAL 17 3HG2 VAL 17 4.943 1.501 -4.269
104 HG22 VAL 17 1HG2 VAL 17 4.960 2.715 -2.990
105 HG23 VAL 17 2HG2 VAL 17 6.335 2.567 -4.085
106 H CYS 18 H CYS 18 5.240 -1.215 -0.877
107 HA CYS 18 HA CYS 18 7.636 -2.869 -0.418
108 HB2 CYS 18 1HB CYS 18 7.370 -2.492 1.949
109 HB3 CYS 18 2HB CYS 18 7.362 -0.932 1.132
110 H GLY 19 H GLY 19 4.133 -2.701 -0.207
111 HA2 GLY 19 1HA GLY 19 2.830 -4.669 -0.703
112 HA3 GLY 19 2HA GLY 19 4.095 -5.638 0.038
113 H LYS 20 H LYS 20 2.177 -2.815 1.073
114 HA LYS 20 HA LYS 20 1.435 -4.344 3.482
115 HB2 LYS 20 1HB LYS 20 3.038 -2.550 4.003
116 HB3 LYS 20 2HB LYS 20 1.956 -1.372 3.273
117 HG2 LYS 20 1HG LYS 20 0.353 -1.637 4.982
118 HG3 LYS 20 2HG LYS 20 1.142 -3.092 5.597
119 HD2 LYS 20 1HD LYS 20 2.695 -0.551 5.523
120 HD3 LYS 20 2HD LYS 20 1.465 -0.752 6.774
121 HE2 LYS 20 1HE LYS 20 3.500 -2.891 6.271
122 HE3 LYS 20 2HE LYS 20 3.900 -1.488 7.261
123 HZ1 LYS 20 3HZ LYS 20 2.976 -3.581 8.395
124 HZ2 LYS 20 1HZ LYS 20 1.472 -3.063 7.819
125 HZ3 LYS 20 2HZ LYS 20 2.364 -2.076 8.864
126 H ALA 21 H ALA 21 -0.638 -3.918 4.378
127 HA ALA 21 HA ALA 21 -2.546 -2.853 2.404
128 HB1 ALA 21 3HB ALA 21 -3.635 -4.768 2.668
129 HB2 ALA 21 1HB ALA 21 -2.505 -5.277 3.923
130 HB3 ALA 21 2HB ALA 21 -3.934 -4.336 4.352
131 H PHE 22 H PHE 22 -4.572 -1.934 3.379
132 HA PHE 22 HA PHE 22 -4.413 -0.851 6.035
133 HB2 PHE 22 1HB PHE 22 -4.101 0.975 3.647
134 HB3 PHE 22 2HB PHE 22 -4.522 1.537 5.262
135 HD1 PHE 22 HD2 PHE 22 -1.878 0.165 3.146
136 HD2 PHE 22 HD1 PHE 22 -2.890 1.558 7.038
137 HE1 PHE 22 HE2 PHE 22 0.512 0.294 3.717
138 HE2 PHE 22 HE1 PHE 22 -0.501 1.691 7.615
139 HZ PHE 22 HZ PHE 22 1.203 1.057 5.954
140 H THR 23 H THR 23 -6.366 0.056 6.740
141 HA THR 23 HA THR 23 -8.682 -0.890 5.338
142 HB THR 23 HB THR 23 -9.970 -0.057 7.215
143 HG1 THR 23 HG1 THR 23 -7.528 1.179 8.021
144 HG21 THR 23 3HG2 THR 23 -7.835 -0.990 8.895
145 HG22 THR 23 1HG2 THR 23 -7.880 -1.928 7.403
146 HG23 THR 23 2HG2 THR 23 -9.318 -1.815 8.419
147 H ASP 24 H ASP 24 -7.867 2.362 6.566
148 HA ASP 24 HA ASP 24 -9.627 3.530 4.553
149 HB2 ASP 24 1HB ASP 24 -8.772 5.677 5.896
150 HB3 ASP 24 2HB ASP 24 -10.086 4.662 6.485
151 H ARG 25 H ARG 25 -8.922 4.501 2.762
152 HA ARG 25 HA ARG 25 -6.400 4.246 1.736
153 HB2 ARG 25 1HB ARG 25 -8.235 4.890 0.323
154 HB3 ARG 25 2HB ARG 25 -8.448 6.398 1.202
155 HG2 ARG 25 1HG ARG 25 -7.361 6.737 -0.960
156 HG3 ARG 25 2HG ARG 25 -6.318 7.211 0.382
157 HD2 ARG 25 1HD ARG 25 -4.958 5.319 0.139
158 HD3 ARG 25 2HD ARG 25 -6.157 4.476 -0.840
159 HE ARG 25 HE ARG 25 -4.137 6.229 -1.777
160 HH11 ARG 25 1HH1 ARG 25 -7.440 5.281 -2.338
161 HH12 ARG 25 2HH1 ARG 25 -7.411 5.698 -4.020
162 HH21 ARG 25 1HH2 ARG 25 -4.086 6.781 -3.990
163 HH22 ARG 25 2HH2 ARG 25 -5.502 6.550 -4.958
164 H SER 26 H SER 26 -7.638 6.826 3.784
165 HA SER 26 HA SER 26 -5.597 8.687 3.531
166 HB2 SER 26 1HB SER 26 -7.465 7.984 5.774
167 HB3 SER 26 2HB SER 26 -6.207 9.194 6.020
168 HG SER 26 HG SER 26 -7.207 9.965 3.836
169 H ASN 27 H ASN 27 -5.825 5.924 5.751
170 HA ASN 27 HA ASN 27 -3.386 6.380 7.082
171 HB2 ASN 27 1HB ASN 27 -5.108 3.940 6.703
172 HB3 ASN 27 2HB ASN 27 -3.579 3.851 7.573
173 HD21 ASN 27 1HD2 ASN 27 -6.391 6.019 7.451
174 HD22 ASN 27 2HD2 ASN 27 -6.591 6.130 9.164
175 H LEU 28 H LEU 28 -4.084 5.174 3.957
176 HA LEU 28 HA LEU 28 -1.607 3.717 3.654
177 HB2 LEU 28 1HB LEU 28 -3.602 2.982 2.476
178 HB3 LEU 28 2HB LEU 28 -3.701 4.531 1.643
179 HG LEU 28 HG LEU 28 -1.536 4.000 0.531
180 HD11 LEU 28 1HD1 LEU 28 -1.813 1.138 1.167
181 HD12 LEU 28 2HD1 LEU 28 -1.184 2.158 2.461
182 HD13 LEU 28 3HD1 LEU 28 -0.367 2.111 0.899
183 HD21 LEU 28 3HD2 LEU 28 -3.248 1.709 -0.170
184 HD22 LEU 28 1HD2 LEU 28 -2.620 3.012 -1.179
185 HD23 LEU 28 2HD2 LEU 28 -4.041 3.285 -0.169
186 H ILE 29 H ILE 29 -2.941 6.830 2.655
187 HA ILE 29 HA ILE 29 -0.797 7.613 0.997
188 HB ILE 29 HB ILE 29 -2.663 9.395 2.567
189 HG12 ILE 29 1HG1 ILE 29 -2.957 8.578 -0.318
190 HG13 ILE 29 2HG1 ILE 29 -3.687 7.648 0.986
191 HG21 ILE 29 1HG2 ILE 29 -2.131 11.088 0.916
192 HG22 ILE 29 2HG2 ILE 29 -0.658 10.527 1.706
193 HG23 ILE 29 3HG2 ILE 29 -1.055 9.967 0.081
194 HD11 ILE 29 3HD1 ILE 29 -5.144 9.355 -0.192
195 HD12 ILE 29 1HD1 ILE 29 -5.125 9.396 1.571
196 HD13 ILE 29 2HD1 ILE 29 -4.197 10.581 0.651
197 H LYS 30 H LYS 30 -1.276 7.707 4.447
198 HA LYS 30 HA LYS 30 0.869 9.530 4.986
199 HB2 LYS 30 1HB LYS 30 0.522 8.926 7.328
200 HB3 LYS 30 2HB LYS 30 -1.012 9.272 6.540
201 HG2 LYS 30 1HG LYS 30 -1.590 6.983 6.447
202 HG3 LYS 30 2HG LYS 30 0.045 6.481 6.884
203 HD2 LYS 30 1HD LYS 30 -1.682 6.355 8.726
204 HD3 LYS 30 2HD LYS 30 -0.212 7.256 9.107
205 HE2 LYS 30 1HE LYS 30 -2.071 8.515 9.918
206 HE3 LYS 30 2HE LYS 30 -1.433 9.349 8.502
207 HZ1 LYS 30 3HZ LYS 30 -3.197 8.285 7.181
208 HZ2 LYS 30 1HZ LYS 30 -3.813 9.292 8.393
209 HZ3 LYS 30 2HZ LYS 30 -3.840 7.613 8.594
210 H HIS 31 H HIS 31 0.536 6.072 4.659
211 HA HIS 31 HA HIS 31 3.097 5.456 5.805
212 HB2 HIS 31 1HB HIS 31 1.641 3.662 5.991
213 HB3 HIS 31 2HB HIS 31 0.971 3.904 4.381
214 HD1 HIS 31 HD1 HIS 31 3.873 2.340 6.163
215 HD2 HIS 31 HD2 HIS 31 2.315 2.598 2.321
216 HE1 HIS 31 HE1 HIS 31 5.138 0.640 4.809
217 H GLN 32 H GLN 32 1.785 5.781 2.536
218 HA GLN 32 HA GLN 32 3.961 4.903 1.064
219 HB2 GLN 32 1HB GLN 32 1.991 7.106 0.441
220 HB3 GLN 32 2HB GLN 32 3.123 6.439 -0.728
221 HG2 GLN 32 1HG GLN 32 1.301 4.587 0.718
222 HG3 GLN 32 2HG GLN 32 0.651 5.584 -0.582
223 HE21 GLN 32 1HE2 GLN 32 0.245 3.486 -1.578
224 HE22 GLN 32 2HE2 GLN 32 1.511 2.733 -2.481
225 H LYS 33 H LYS 33 3.683 7.672 3.041
226 HA LYS 33 HA LYS 33 5.514 9.401 1.775
227 HB2 LYS 33 1HB LYS 33 4.408 9.138 4.536
228 HB3 LYS 33 2HB LYS 33 5.805 10.177 4.290
229 HG2 LYS 33 1HG LYS 33 4.632 11.642 2.918
230 HG3 LYS 33 2HG LYS 33 3.358 10.465 2.591
231 HD2 LYS 33 1HD LYS 33 2.831 10.607 5.088
232 HD3 LYS 33 2HD LYS 33 3.848 12.049 5.098
233 HE2 LYS 33 1HE LYS 33 1.510 11.677 3.236
234 HE3 LYS 33 2HE LYS 33 1.381 12.459 4.811
235 HZ1 LYS 33 3HZ LYS 33 2.852 13.372 2.420
236 HZ2 LYS 33 1HZ LYS 33 3.245 13.955 3.959
237 HZ3 LYS 33 2HZ LYS 33 1.694 14.203 3.332
238 H ILE 34 H ILE 34 5.931 6.628 3.844
239 HA ILE 34 HA ILE 34 8.582 7.070 4.663
240 HB ILE 34 HB ILE 34 8.650 4.832 5.349
241 HG12 ILE 34 1HG1 ILE 34 6.485 4.248 3.317
242 HG13 ILE 34 2HG1 ILE 34 8.182 3.803 3.173
243 HG21 ILE 34 1HG2 ILE 34 5.781 4.747 5.576
244 HG22 ILE 34 2HG2 ILE 34 6.997 5.034 6.820
245 HG23 ILE 34 3HG2 ILE 34 6.384 6.380 5.859
246 HD11 ILE 34 3HD1 ILE 34 6.463 2.842 5.433
247 HD12 ILE 34 1HD1 ILE 34 6.572 1.991 3.893
248 HD13 ILE 34 2HD1 ILE 34 8.015 2.209 4.884
249 H HIS 35 H HIS 35 7.254 6.133 1.631
250 HA HIS 35 HA HIS 35 9.818 5.131 0.651
251 HB2 HIS 35 1HB HIS 35 7.210 5.361 -0.857
252 HB3 HIS 35 2HB HIS 35 8.627 4.422 -1.317
253 HD1 HIS 35 HD1 HIS 35 9.242 2.697 0.965
254 HD2 HIS 35 HD2 HIS 35 5.317 3.646 -0.010
255 HE1 HIS 35 HE1 HIS 35 7.837 0.886 1.998
256 H THR 36 H THR 36 8.071 8.017 0.819
257 HA THR 36 HA THR 36 9.244 9.160 -1.591
258 HB THR 36 HB THR 36 7.931 11.131 -1.140
259 HG1 THR 36 HG1 THR 36 8.205 11.050 1.191
260 HG21 THR 36 3HG2 THR 36 6.200 8.753 -0.473
261 HG22 THR 36 1HG2 THR 36 6.805 9.094 -2.093
262 HG23 THR 36 2HG2 THR 36 5.722 10.236 -1.298
263 H GLY 37 H GLY 37 11.140 8.354 0.304
264 HA2 GLY 37 1HA GLY 37 12.154 10.971 1.234
265 HA3 GLY 37 2HA GLY 37 12.377 9.490 2.154
266 H GLU 38 H GLU 38 13.988 8.066 1.592
267 HA GLU 38 HA GLU 38 16.159 9.155 0.091
268 HB2 GLU 38 1HB GLU 38 17.400 7.270 0.786
269 HB3 GLU 38 2HB GLU 38 16.326 7.641 2.128
270 HG2 GLU 38 1HG GLU 38 14.769 5.886 1.221
271 HG3 GLU 38 2HG GLU 38 16.064 5.426 0.117
272 H LYS 39 H LYS 39 16.925 8.608 -1.902
273 HA LYS 39 HA LYS 39 15.077 7.558 -3.788
274 HB2 LYS 39 1HB LYS 39 17.962 8.392 -3.929
275 HB3 LYS 39 2HB LYS 39 17.172 7.638 -5.308
276 HG2 LYS 39 1HG LYS 39 16.907 9.879 -5.756
277 HG3 LYS 39 2HG LYS 39 15.378 9.478 -4.969
278 HD2 LYS 39 1HD LYS 39 15.906 10.627 -3.055
279 HD3 LYS 39 2HD LYS 39 17.644 10.412 -3.277
280 HE2 LYS 39 1HE LYS 39 15.939 12.178 -5.024
281 HE3 LYS 39 2HE LYS 39 16.802 12.756 -3.600
282 HZ1 LYS 39 3HZ LYS 39 17.826 12.017 -6.213
283 HZ2 LYS 39 1HZ LYS 39 18.762 11.513 -4.897
284 HZ3 LYS 39 2HZ LYS 39 18.407 13.153 -5.102
285 HA PRO 40 HA PRO 40 15.951 3.250 -3.553
286 HB2 PRO 40 1HB PRO 40 15.174 2.513 -6.047
287 HB3 PRO 40 2HB PRO 40 14.028 2.946 -4.773
288 HG2 PRO 40 1HG PRO 40 15.050 4.606 -7.044
289 HG3 PRO 40 2HG PRO 40 13.397 4.464 -6.417
290 HD2 PRO 40 1HD PRO 40 15.016 6.546 -5.801
291 HD3 PRO 40 2HD PRO 40 13.801 5.914 -4.671
292 H SER 41 H SER 41 17.579 5.388 -5.630
293 HA SER 41 HA SER 41 19.071 3.992 -7.374
294 HB2 SER 41 1HB SER 41 19.847 6.215 -5.510
295 HB3 SER 41 2HB SER 41 21.050 5.505 -6.588
296 HG SER 41 HG SER 41 20.237 6.740 -8.067
297 H GLY 42 H GLY 42 20.144 4.433 -3.993
298 HA2 GLY 42 1HA GLY 42 20.875 2.613 -2.621
299 HA3 GLY 42 2HA GLY 42 21.257 1.712 -4.081
300 HA PRO 43 HA PRO 43 25.249 3.288 -2.414
301 HB2 PRO 43 1HB PRO 43 26.631 1.023 -2.987
302 HB3 PRO 43 2HB PRO 43 25.705 1.232 -1.496
303 HG2 PRO 43 1HG PRO 43 24.947 -0.204 -4.011
304 HG3 PRO 43 2HG PRO 43 24.709 -0.699 -2.325
305 HD2 PRO 43 1HD PRO 43 22.726 0.380 -3.820
306 HD3 PRO 43 2HD PRO 43 22.844 0.630 -2.066
307 H SER 44 H SER 44 26.892 4.183 -3.576
308 HA SER 44 HA SER 44 26.700 3.964 -6.486
309 HB2 SER 44 1HB SER 44 28.007 5.978 -4.656
310 HB3 SER 44 2HB SER 44 28.279 5.971 -6.399
311 HG SER 44 HG SER 44 26.517 7.346 -5.563
312 H SER 45 H SER 45 27.780 1.724 -5.331
313 HA SER 45 HA SER 45 30.673 1.979 -5.817
314 HB2 SER 45 1HB SER 45 29.062 0.062 -4.146
315 HB3 SER 45 2HB SER 45 30.703 -0.333 -4.658
316 HG SER 45 HG SER 45 31.484 1.333 -3.479
317 H GLY 46 H GLY 46 30.222 1.947 -8.131
318 HA2 GLY 46 1HA GLY 46 28.978 -0.248 -9.410
319 HA3 GLY 46 2HA GLY 46 30.070 0.900 -10.170
Start of MODEL 12
1 H1 GLY 1 H GLY 1 5.014 -22.557 15.443
2 HA2 GLY 1 1HA GLY 1 5.096 -25.237 14.205
3 HA3 GLY 1 2HA GLY 1 3.655 -24.645 15.017
4 H SER 2 H SER 2 2.233 -24.514 13.369
5 HA SER 2 HA SER 2 2.989 -22.803 11.091
6 HB2 SER 2 1HB SER 2 1.063 -25.141 11.107
7 HB3 SER 2 2HB SER 2 1.389 -24.098 9.722
8 HG SER 2 HG SER 2 3.578 -25.288 10.964
9 H SER 3 H SER 3 2.013 -20.903 11.208
10 HA SER 3 HA SER 3 -0.809 -20.812 12.025
11 HB2 SER 3 1HB SER 3 -0.472 -18.910 13.414
12 HB3 SER 3 2HB SER 3 0.780 -20.064 13.872
13 HG SER 3 HG SER 3 2.275 -18.878 12.750
14 H GLY 4 H GLY 4 -2.085 -19.333 10.952
15 HA2 GLY 4 1HA GLY 4 -1.029 -18.391 8.428
16 HA3 GLY 4 2HA GLY 4 -2.702 -18.307 8.959
17 H SER 5 H SER 5 0.097 -16.556 8.384
18 HA SER 5 HA SER 5 -1.034 -14.225 9.783
19 HB2 SER 5 1HB SER 5 1.254 -13.436 10.248
20 HB3 SER 5 2HB SER 5 0.948 -14.997 11.008
21 HG SER 5 HG SER 5 2.396 -15.894 9.759
22 H SER 6 H SER 6 -0.812 -12.230 8.751
23 HA SER 6 HA SER 6 -0.932 -10.876 6.917
24 HB2 SER 6 1HB SER 6 1.519 -10.955 7.307
25 HB3 SER 6 2HB SER 6 1.633 -12.311 6.185
26 HG SER 6 HG SER 6 1.802 -9.817 5.558
27 H GLY 7 H GLY 7 -2.495 -13.168 6.654
28 HA2 GLY 7 1HA GLY 7 -2.437 -13.484 3.733
29 HA3 GLY 7 2HA GLY 7 -2.512 -14.922 4.739
30 H THR 8 H THR 8 -4.359 -15.041 6.273
31 HA THR 8 HA THR 8 -6.794 -14.724 4.907
32 HB THR 8 HB THR 8 -7.889 -15.442 6.953
33 HG1 THR 8 HG1 THR 8 -5.383 -14.798 8.124
34 HG21 THR 8 3HG2 THR 8 -5.274 -16.926 6.786
35 HG22 THR 8 1HG2 THR 8 -6.527 -17.062 5.553
36 HG23 THR 8 2HG2 THR 8 -6.862 -17.562 7.211
37 H GLY 9 H GLY 9 -8.039 -12.994 4.637
38 HA2 GLY 9 1HA GLY 9 -9.238 -11.091 5.259
39 HA3 GLY 9 2HA GLY 9 -8.326 -11.036 6.760
40 H GLU 10 H GLU 10 -8.531 -9.947 3.492
41 HA GLU 10 HA GLU 10 -6.039 -8.417 3.813
42 HB2 GLU 10 1HB GLU 10 -7.478 -9.529 1.459
43 HB3 GLU 10 2HB GLU 10 -6.621 -8.010 1.237
44 HG2 GLU 10 1HG GLU 10 -5.475 -10.650 2.101
45 HG3 GLU 10 2HG GLU 10 -5.167 -9.778 0.600
46 H ARG 11 H ARG 11 -6.214 -6.279 2.404
47 HA ARG 11 HA ARG 11 -8.678 -4.907 3.262
48 HB2 ARG 11 1HB ARG 11 -5.811 -4.131 3.434
49 HB3 ARG 11 2HB ARG 11 -6.974 -2.858 3.090
50 HG2 ARG 11 1HG ARG 11 -6.724 -2.842 5.413
51 HG3 ARG 11 2HG ARG 11 -8.248 -3.685 5.128
52 HD2 ARG 11 1HD ARG 11 -6.936 -5.839 5.252
53 HD3 ARG 11 2HD ARG 11 -5.575 -4.877 5.829
54 HE ARG 11 HE ARG 11 -7.974 -5.563 7.291
55 HH11 ARG 11 1HH1 ARG 11 -5.194 -3.478 7.075
56 HH12 ARG 11 2HH1 ARG 11 -5.216 -3.057 8.755
57 HH21 ARG 11 1HH2 ARG 11 -8.014 -5.016 9.505
58 HH22 ARG 11 2HH2 ARG 11 -6.821 -3.933 10.137
59 HA PRO 12 HA PRO 12 -9.422 -3.568 -0.848
60 HB2 PRO 12 1HB PRO 12 -10.289 -1.020 -0.493
61 HB3 PRO 12 2HB PRO 12 -11.254 -2.433 -0.050
62 HG2 PRO 12 1HG PRO 12 -9.568 -0.670 1.686
63 HG3 PRO 12 2HG PRO 12 -11.183 -1.332 1.997
64 HD2 PRO 12 1HD PRO 12 -8.937 -2.413 3.054
65 HD3 PRO 12 2HD PRO 12 -10.357 -3.389 2.626
66 H TYR 13 H TYR 13 -7.561 -1.250 1.093
67 HA TYR 13 HA TYR 13 -6.238 -0.294 -1.344
68 HB2 TYR 13 1HB TYR 13 -5.900 0.862 1.417
69 HB3 TYR 13 2HB TYR 13 -5.592 1.634 -0.134
70 HD1 TYR 13 HD1 TYR 13 -7.540 2.267 -1.589
71 HD2 TYR 13 HD2 TYR 13 -8.034 0.966 2.432
72 HE1 TYR 13 HE1 TYR 13 -9.799 3.239 -1.559
73 HE2 TYR 13 HE2 TYR 13 -10.295 1.934 2.473
74 HH TYR 13 HH TYR 13 -11.414 4.062 0.877
75 H ILE 14 H ILE 14 -4.194 -0.807 -1.805
76 HA ILE 14 HA ILE 14 -2.522 -1.972 0.318
77 HB ILE 14 HB ILE 14 -2.786 -2.992 -2.512
78 HG12 ILE 14 1HG1 ILE 14 -3.362 -5.131 -1.231
79 HG13 ILE 14 2HG1 ILE 14 -3.546 -4.104 0.187
80 HG21 ILE 14 1HG2 ILE 14 -1.057 -4.553 -2.040
81 HG22 ILE 14 2HG2 ILE 14 -0.445 -2.959 -1.603
82 HG23 ILE 14 3HG2 ILE 14 -0.994 -4.068 -0.346
83 HD11 ILE 14 3HD1 ILE 14 -5.506 -4.738 -1.621
84 HD12 ILE 14 1HD1 ILE 14 -5.555 -3.413 -0.459
85 HD13 ILE 14 2HD1 ILE 14 -5.017 -3.117 -2.112
86 H CYS 15 H CYS 15 -0.384 -1.418 0.304
87 HA CYS 15 HA CYS 15 0.337 0.905 -1.229
88 HB2 CYS 15 1HB CYS 15 0.992 0.478 1.182
89 HB3 CYS 15 2HB CYS 15 2.134 -0.718 0.576
90 H THR 16 H THR 16 0.990 0.749 -3.265
91 HA THR 16 HA THR 16 2.178 -1.683 -4.283
92 HB THR 16 HB THR 16 0.575 -0.466 -5.676
93 HG1 THR 16 HG1 THR 16 3.013 -0.102 -7.021
94 HG21 THR 16 3HG2 THR 16 2.634 1.718 -5.932
95 HG22 THR 16 1HG2 THR 16 1.272 1.812 -4.816
96 HG23 THR 16 2HG2 THR 16 0.983 1.702 -6.552
97 H VAL 17 H VAL 17 3.743 -0.402 -2.297
98 HA VAL 17 HA VAL 17 6.110 0.318 -3.897
99 HB VAL 17 HB VAL 17 5.264 1.542 -1.268
100 HG11 VAL 17 1HG1 VAL 17 7.352 2.989 -1.776
101 HG12 VAL 17 2HG1 VAL 17 7.567 1.399 -1.042
102 HG13 VAL 17 3HG1 VAL 17 7.852 1.620 -2.769
103 HG21 VAL 17 3HG2 VAL 17 5.870 3.099 -3.735
104 HG22 VAL 17 1HG2 VAL 17 4.316 2.274 -3.610
105 HG23 VAL 17 2HG2 VAL 17 4.776 3.475 -2.404
106 H CYS 18 H CYS 18 4.949 -0.911 -0.774
107 HA CYS 18 HA CYS 18 7.435 -2.480 -0.562
108 HB2 CYS 18 1HB CYS 18 7.012 -2.498 1.897
109 HB3 CYS 18 2HB CYS 18 7.314 -0.889 1.247
110 H GLY 19 H GLY 19 3.933 -2.494 -0.152
111 HA2 GLY 19 1HA GLY 19 2.761 -4.494 -0.950
112 HA3 GLY 19 2HA GLY 19 4.037 -5.446 -0.207
113 H LYS 20 H LYS 20 2.415 -2.654 1.211
114 HA LYS 20 HA LYS 20 1.510 -4.394 3.397
115 HB2 LYS 20 1HB LYS 20 3.001 -2.467 3.946
116 HB3 LYS 20 2HB LYS 20 1.747 -1.381 3.364
117 HG2 LYS 20 1HG LYS 20 0.264 -2.033 5.108
118 HG3 LYS 20 2HG LYS 20 1.335 -3.345 5.604
119 HD2 LYS 20 1HD LYS 20 2.359 -0.541 5.598
120 HD3 LYS 20 2HD LYS 20 1.315 -1.078 6.916
121 HE2 LYS 20 1HE LYS 20 3.366 -1.613 7.779
122 HE3 LYS 20 2HE LYS 20 2.974 -3.120 6.952
123 HZ1 LYS 20 3HZ LYS 20 4.775 -2.886 5.712
124 HZ2 LYS 20 1HZ LYS 20 5.183 -1.474 6.550
125 HZ3 LYS 20 2HZ LYS 20 4.245 -1.383 5.145
126 H ALA 21 H ALA 21 -0.572 -3.713 4.454
127 HA ALA 21 HA ALA 21 -2.518 -2.790 2.443
128 HB1 ALA 21 3HB ALA 21 -2.360 -5.356 3.425
129 HB2 ALA 21 1HB ALA 21 -3.621 -4.622 4.416
130 HB3 ALA 21 2HB ALA 21 -3.770 -4.624 2.658
131 H PHE 22 H PHE 22 -4.244 -1.552 3.181
132 HA PHE 22 HA PHE 22 -4.290 -0.840 6.020
133 HB2 PHE 22 1HB PHE 22 -4.046 1.132 3.741
134 HB3 PHE 22 2HB PHE 22 -4.485 1.582 5.386
135 HD1 PHE 22 HD2 PHE 22 -1.801 0.053 3.346
136 HD2 PHE 22 HD1 PHE 22 -2.847 1.942 7.013
137 HE1 PHE 22 HE2 PHE 22 0.583 0.236 3.927
138 HE2 PHE 22 HE1 PHE 22 -0.464 2.129 7.600
139 HZ PHE 22 HZ PHE 22 1.254 1.274 6.057
140 H THR 23 H THR 23 -6.291 -0.440 6.817
141 HA THR 23 HA THR 23 -8.549 -1.296 5.384
142 HB THR 23 HB THR 23 -9.877 -0.388 7.271
143 HG1 THR 23 HG1 THR 23 -8.667 1.450 7.781
144 HG21 THR 23 3HG2 THR 23 -9.367 -2.283 8.322
145 HG22 THR 23 1HG2 THR 23 -7.860 -1.582 8.908
146 HG23 THR 23 2HG2 THR 23 -7.901 -2.408 7.351
147 H ASP 24 H ASP 24 -7.440 1.969 6.236
148 HA ASP 24 HA ASP 24 -9.380 3.045 4.296
149 HB2 ASP 24 1HB ASP 24 -8.186 4.319 6.764
150 HB3 ASP 24 2HB ASP 24 -9.138 5.199 5.572
151 H ARG 25 H ARG 25 -8.640 4.151 2.588
152 HA ARG 25 HA ARG 25 -6.036 4.028 1.718
153 HB2 ARG 25 1HB ARG 25 -7.982 4.604 0.297
154 HB3 ARG 25 2HB ARG 25 -8.032 6.196 1.043
155 HG2 ARG 25 1HG ARG 25 -5.749 6.621 0.184
156 HG3 ARG 25 2HG ARG 25 -5.817 5.069 -0.653
157 HD2 ARG 25 1HD ARG 25 -7.844 5.869 -1.848
158 HD3 ARG 25 2HD ARG 25 -7.622 7.444 -1.087
159 HE ARG 25 HE ARG 25 -5.245 7.032 -2.279
160 HH11 ARG 25 1HH1 ARG 25 -8.524 6.802 -3.424
161 HH12 ARG 25 2HH1 ARG 25 -8.124 7.235 -5.054
162 HH21 ARG 25 1HH2 ARG 25 -4.705 7.603 -4.420
163 HH22 ARG 25 2HH2 ARG 25 -5.951 7.690 -5.619
164 H SER 26 H SER 26 -7.618 6.726 3.404
165 HA SER 26 HA SER 26 -5.831 8.706 3.399
166 HB2 SER 26 1HB SER 26 -6.381 9.102 5.848
167 HB3 SER 26 2HB SER 26 -7.768 8.938 4.771
168 HG SER 26 HG SER 26 -7.521 7.648 6.914
169 H ASN 27 H ASN 27 -5.587 6.095 5.822
170 HA ASN 27 HA ASN 27 -3.099 6.775 6.835
171 HB2 ASN 27 1HB ASN 27 -4.711 4.275 6.736
172 HB3 ASN 27 2HB ASN 27 -3.013 4.122 7.177
173 HD21 ASN 27 1HD2 ASN 27 -2.384 6.050 8.751
174 HD22 ASN 27 2HD2 ASN 27 -3.420 6.175 10.129
175 H LEU 28 H LEU 28 -3.867 4.522 4.193
176 HA LEU 28 HA LEU 28 -1.337 3.614 3.592
177 HB2 LEU 28 1HB LEU 28 -3.296 2.719 2.520
178 HB3 LEU 28 2HB LEU 28 -3.617 4.262 1.731
179 HG LEU 28 HG LEU 28 -1.600 3.982 0.369
180 HD11 LEU 28 1HD1 LEU 28 -0.254 2.046 0.432
181 HD12 LEU 28 2HD1 LEU 28 -1.366 1.214 1.518
182 HD13 LEU 28 3HD1 LEU 28 -0.416 2.578 2.105
183 HD21 LEU 28 3HD2 LEU 28 -3.512 1.651 0.311
184 HD22 LEU 28 1HD2 LEU 28 -2.398 2.076 -0.989
185 HD23 LEU 28 2HD2 LEU 28 -3.689 3.188 -0.535
186 H ILE 29 H ILE 29 -2.908 6.594 2.493
187 HA ILE 29 HA ILE 29 -0.915 7.467 0.736
188 HB ILE 29 HB ILE 29 -2.709 9.200 2.439
189 HG12 ILE 29 1HG1 ILE 29 -3.245 8.388 -0.405
190 HG13 ILE 29 2HG1 ILE 29 -3.757 7.364 0.932
191 HG21 ILE 29 1HG2 ILE 29 -0.942 10.495 1.467
192 HG22 ILE 29 2HG2 ILE 29 -1.197 9.746 -0.108
193 HG23 ILE 29 3HG2 ILE 29 -2.424 10.816 0.568
194 HD11 ILE 29 3HD1 ILE 29 -4.754 9.715 1.748
195 HD12 ILE 29 1HD1 ILE 29 -4.821 9.943 0.001
196 HD13 ILE 29 2HD1 ILE 29 -5.642 8.570 0.743
197 H LYS 30 H LYS 30 -1.366 8.152 4.195
198 HA LYS 30 HA LYS 30 0.920 9.801 4.451
199 HB2 LYS 30 1HB LYS 30 -0.743 10.005 6.125
200 HB3 LYS 30 2HB LYS 30 -0.753 8.274 6.437
201 HG2 LYS 30 1HG LYS 30 1.563 8.485 7.321
202 HG3 LYS 30 2HG LYS 30 1.417 10.235 7.144
203 HD2 LYS 30 1HD LYS 30 -0.451 8.531 8.787
204 HD3 LYS 30 2HD LYS 30 0.938 9.400 9.444
205 HE2 LYS 30 1HE LYS 30 -1.360 10.680 7.967
206 HE3 LYS 30 2HE LYS 30 -1.206 10.613 9.722
207 HZ1 LYS 30 3HZ LYS 30 1.101 11.681 8.349
208 HZ2 LYS 30 1HZ LYS 30 0.302 12.248 9.728
209 HZ3 LYS 30 2HZ LYS 30 -0.298 12.619 8.191
210 H HIS 31 H HIS 31 0.399 6.342 4.733
211 HA HIS 31 HA HIS 31 2.890 5.700 5.913
212 HB2 HIS 31 1HB HIS 31 1.405 3.952 6.111
213 HB3 HIS 31 2HB HIS 31 0.753 4.181 4.491
214 HD1 HIS 31 HD1 HIS 31 3.634 2.590 6.306
215 HD2 HIS 31 HD2 HIS 31 1.984 2.705 2.495
216 HE1 HIS 31 HE1 HIS 31 4.810 0.785 5.009
217 H GLN 32 H GLN 32 1.791 5.842 2.548
218 HA GLN 32 HA GLN 32 4.007 4.811 1.267
219 HB2 GLN 32 1HB GLN 32 2.049 6.952 0.478
220 HB3 GLN 32 2HB GLN 32 3.361 6.481 -0.595
221 HG2 GLN 32 1HG GLN 32 2.435 4.071 -0.171
222 HG3 GLN 32 2HG GLN 32 0.964 4.941 0.261
223 HE21 GLN 32 1HE2 GLN 32 -0.289 4.404 -1.439
224 HE22 GLN 32 2HE2 GLN 32 0.059 4.824 -3.078
225 H LYS 33 H LYS 33 3.706 7.757 3.008
226 HA LYS 33 HA LYS 33 5.704 9.306 1.797
227 HB2 LYS 33 1HB LYS 33 4.850 9.230 4.698
228 HB3 LYS 33 2HB LYS 33 5.814 10.502 3.959
229 HG2 LYS 33 1HG LYS 33 3.089 9.793 2.930
230 HG3 LYS 33 2HG LYS 33 3.321 10.926 4.264
231 HD2 LYS 33 1HD LYS 33 5.039 12.017 2.584
232 HD3 LYS 33 2HD LYS 33 4.035 11.199 1.384
233 HE2 LYS 33 1HE LYS 33 2.047 12.289 2.536
234 HE3 LYS 33 2HE LYS 33 3.221 13.291 3.386
235 HZ1 LYS 33 3HZ LYS 33 3.537 13.164 0.506
236 HZ2 LYS 33 1HZ LYS 33 3.657 14.488 1.553
237 HZ3 LYS 33 2HZ LYS 33 2.137 13.946 1.045
238 H ILE 34 H ILE 34 5.881 6.621 4.008
239 HA ILE 34 HA ILE 34 8.523 7.001 4.924
240 HB ILE 34 HB ILE 34 8.434 4.833 5.794
241 HG12 ILE 34 1HG1 ILE 34 6.303 4.168 3.752
242 HG13 ILE 34 2HG1 ILE 34 7.992 3.683 3.651
243 HG21 ILE 34 1HG2 ILE 34 6.138 6.489 5.969
244 HG22 ILE 34 2HG2 ILE 34 5.602 4.810 5.978
245 HG23 ILE 34 3HG2 ILE 34 6.778 5.367 7.169
246 HD11 ILE 34 3HD1 ILE 34 6.654 1.847 4.433
247 HD12 ILE 34 1HD1 ILE 34 7.713 2.398 5.731
248 HD13 ILE 34 2HD1 ILE 34 6.003 2.833 5.741
249 H HIS 35 H HIS 35 7.422 6.394 1.848
250 HA HIS 35 HA HIS 35 9.882 4.982 1.069
251 HB2 HIS 35 1HB HIS 35 7.333 5.331 -0.522
252 HB3 HIS 35 2HB HIS 35 8.724 4.353 -0.979
253 HD1 HIS 35 HD1 HIS 35 9.267 2.608 1.318
254 HD2 HIS 35 HD2 HIS 35 5.384 3.653 0.274
255 HE1 HIS 35 HE1 HIS 35 7.800 0.829 2.320
256 H THR 36 H THR 36 8.135 7.940 0.797
257 HA THR 36 HA THR 36 9.250 8.974 -1.565
258 HB THR 36 HB THR 36 8.630 11.190 -0.710
259 HG1 THR 36 HG1 THR 36 9.035 11.177 1.433
260 HG21 THR 36 3HG2 THR 36 6.187 10.336 0.096
261 HG22 THR 36 1HG2 THR 36 6.795 8.887 -0.704
262 HG23 THR 36 2HG2 THR 36 6.701 10.410 -1.589
263 H GLY 37 H GLY 37 10.571 8.540 1.594
264 HA2 GLY 37 1HA GLY 37 13.090 9.717 0.663
265 HA3 GLY 37 2HA GLY 37 12.410 10.312 2.170
266 H GLU 38 H GLU 38 12.593 7.018 0.845
267 HA GLU 38 HA GLU 38 13.564 6.051 3.395
268 HB2 GLU 38 1HB GLU 38 13.396 3.817 2.335
269 HB3 GLU 38 2HB GLU 38 11.894 4.728 2.256
270 HG2 GLU 38 1HG GLU 38 12.355 3.553 0.172
271 HG3 GLU 38 2HG GLU 38 12.327 5.300 -0.056
272 H LYS 39 H LYS 39 15.474 4.741 3.614
273 HA LYS 39 HA LYS 39 17.722 5.877 2.232
274 HB2 LYS 39 1HB LYS 39 17.901 5.379 4.601
275 HB3 LYS 39 2HB LYS 39 17.541 3.683 4.304
276 HG2 LYS 39 1HG LYS 39 19.794 3.541 4.467
277 HG3 LYS 39 2HG LYS 39 19.673 3.894 2.741
278 HD2 LYS 39 1HD LYS 39 21.317 5.367 3.523
279 HD3 LYS 39 2HD LYS 39 19.859 6.356 3.421
280 HE2 LYS 39 1HE LYS 39 19.566 6.373 5.735
281 HE3 LYS 39 2HE LYS 39 20.606 4.969 5.971
282 HZ1 LYS 39 3HZ LYS 39 22.058 6.565 6.582
283 HZ2 LYS 39 1HZ LYS 39 21.316 7.775 5.661
284 HZ3 LYS 39 2HZ LYS 39 22.346 6.657 4.917
285 HA PRO 40 HA PRO 40 18.037 2.896 -1.002
286 HB2 PRO 40 1HB PRO 40 20.635 3.312 -1.671
287 HB3 PRO 40 2HB PRO 40 19.342 4.444 -2.088
288 HG2 PRO 40 1HG PRO 40 21.308 4.561 0.167
289 HG3 PRO 40 2HG PRO 40 20.756 5.861 -0.905
290 HD2 PRO 40 1HD PRO 40 19.789 5.531 1.603
291 HD3 PRO 40 2HD PRO 40 18.801 6.175 0.276
292 H SER 41 H SER 41 18.687 0.804 -1.284
293 HA SER 41 HA SER 41 20.401 -0.328 0.827
294 HB2 SER 41 1HB SER 41 18.147 -1.201 0.964
295 HB3 SER 41 2HB SER 41 18.158 -1.606 -0.753
296 HG SER 41 HG SER 41 18.861 -3.467 -0.077
297 H GLY 42 H GLY 42 22.262 0.249 -0.493
298 HA2 GLY 42 1HA GLY 42 23.987 -1.073 -1.567
299 HA3 GLY 42 2HA GLY 42 22.738 -1.782 -2.579
300 HA PRO 43 HA PRO 43 24.896 1.861 -4.690
301 HB2 PRO 43 1HB PRO 43 26.154 0.437 -6.629
302 HB3 PRO 43 2HB PRO 43 26.893 0.788 -5.062
303 HG2 PRO 43 1HG PRO 43 25.528 -1.707 -5.996
304 HG3 PRO 43 2HG PRO 43 27.025 -1.534 -5.062
305 HD2 PRO 43 1HD PRO 43 24.654 -2.155 -3.912
306 HD3 PRO 43 2HD PRO 43 25.898 -1.200 -3.080
307 H SER 44 H SER 44 23.750 -1.109 -6.308
308 HA SER 44 HA SER 44 22.556 -1.345 -8.267
309 HB2 SER 44 1HB SER 44 20.258 -0.334 -8.023
310 HB3 SER 44 2HB SER 44 20.789 -1.293 -6.642
311 HG SER 44 HG SER 44 21.265 0.609 -5.548
312 H SER 45 H SER 45 24.550 0.527 -8.690
313 HA SER 45 HA SER 45 23.205 2.626 -10.256
314 HB2 SER 45 1HB SER 45 26.019 2.534 -9.143
315 HB3 SER 45 2HB SER 45 25.391 3.822 -10.171
316 HG SER 45 HG SER 45 24.245 3.062 -7.689
317 H GLY 46 H GLY 46 23.176 2.359 -12.382
318 HA2 GLY 46 1HA GLY 46 25.306 0.715 -13.607
319 HA3 GLY 46 2HA GLY 46 23.637 0.698 -14.160
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -7.051 -22.214 -2.855
2 HA2 GLY 1 1HA GLY 1 -6.021 -23.010 -0.668
3 HA3 GLY 1 2HA GLY 1 -5.652 -21.347 -1.098
4 H SER 2 H SER 2 -6.087 -22.913 1.510
5 HA SER 2 HA SER 2 -8.248 -21.334 2.685
6 HB2 SER 2 1HB SER 2 -6.696 -23.747 3.586
7 HB3 SER 2 2HB SER 2 -7.621 -22.791 4.745
8 HG SER 2 HG SER 2 -9.039 -24.280 4.040
9 H SER 3 H SER 3 -7.740 -20.619 5.042
10 HA SER 3 HA SER 3 -5.110 -19.876 5.742
11 HB2 SER 3 1HB SER 3 -5.041 -17.562 5.227
12 HB3 SER 3 2HB SER 3 -5.576 -18.350 3.743
13 HG SER 3 HG SER 3 -6.804 -16.447 5.110
14 H GLY 4 H GLY 4 -5.045 -18.483 7.661
15 HA2 GLY 4 1HA GLY 4 -7.133 -17.403 9.051
16 HA3 GLY 4 2HA GLY 4 -7.220 -19.117 9.430
17 H SER 5 H SER 5 -5.237 -16.226 9.663
18 HA SER 5 HA SER 5 -4.101 -17.219 12.140
19 HB2 SER 5 1HB SER 5 -2.556 -18.039 10.350
20 HB3 SER 5 2HB SER 5 -2.274 -16.363 9.883
21 HG SER 5 HG SER 5 -1.926 -17.019 12.567
22 H SER 6 H SER 6 -3.269 -15.588 13.472
23 HA SER 6 HA SER 6 -4.408 -12.998 13.018
24 HB2 SER 6 1HB SER 6 -2.959 -14.346 15.241
25 HB3 SER 6 2HB SER 6 -2.938 -12.583 15.215
26 HG SER 6 HG SER 6 -5.389 -13.843 14.804
27 H GLY 7 H GLY 7 -3.498 -11.584 11.678
28 HA2 GLY 7 1HA GLY 7 -1.009 -10.420 12.097
29 HA3 GLY 7 2HA GLY 7 -0.777 -11.671 10.885
30 H THR 8 H THR 8 -1.658 -11.419 8.835
31 HA THR 8 HA THR 8 -1.998 -8.711 7.988
32 HB THR 8 HB THR 8 -0.896 -10.417 6.569
33 HG1 THR 8 HG1 THR 8 -2.181 -8.483 5.765
34 HG21 THR 8 3HG2 THR 8 -3.100 -11.978 7.190
35 HG22 THR 8 1HG2 THR 8 -1.860 -12.352 5.995
36 HG23 THR 8 2HG2 THR 8 -3.349 -11.547 5.499
37 H GLY 9 H GLY 9 -3.816 -7.583 7.647
38 HA2 GLY 9 1HA GLY 9 -6.369 -8.959 8.137
39 HA3 GLY 9 2HA GLY 9 -6.089 -7.232 8.310
40 H GLU 10 H GLU 10 -8.237 -8.412 6.872
41 HA GLU 10 HA GLU 10 -7.631 -8.298 4.063
42 HB2 GLU 10 1HB GLU 10 -10.312 -8.340 5.459
43 HB3 GLU 10 2HB GLU 10 -10.038 -8.611 3.744
44 HG2 GLU 10 1HG GLU 10 -8.644 -10.588 4.360
45 HG3 GLU 10 2HG GLU 10 -9.160 -10.355 6.029
46 H ARG 11 H ARG 11 -6.844 -6.268 3.594
47 HA ARG 11 HA ARG 11 -8.687 -4.015 4.047
48 HB2 ARG 11 1HB ARG 11 -5.691 -4.151 3.839
49 HB3 ARG 11 2HB ARG 11 -6.550 -2.644 3.551
50 HG2 ARG 11 1HG ARG 11 -5.778 -2.705 5.824
51 HG3 ARG 11 2HG ARG 11 -7.540 -2.814 5.804
52 HD2 ARG 11 1HD ARG 11 -7.436 -5.200 6.158
53 HD3 ARG 11 2HD ARG 11 -5.678 -5.173 6.040
54 HE ARG 11 HE ARG 11 -7.256 -4.537 8.335
55 HH11 ARG 11 1HH1 ARG 11 -4.259 -3.852 6.700
56 HH12 ARG 11 2HH1 ARG 11 -3.430 -3.373 8.144
57 HH21 ARG 11 1HH2 ARG 11 -6.175 -3.909 10.243
58 HH22 ARG 11 2HH2 ARG 11 -4.520 -3.407 10.158
59 HA PRO 12 HA PRO 12 -9.347 -3.740 -0.295
60 HB2 PRO 12 1HB PRO 12 -10.057 -1.125 -0.464
61 HB3 PRO 12 2HB PRO 12 -11.117 -2.366 0.213
62 HG2 PRO 12 1HG PRO 12 -9.357 -0.402 1.628
63 HG3 PRO 12 2HG PRO 12 -11.017 -0.895 2.010
64 HD2 PRO 12 1HD PRO 12 -8.865 -1.880 3.326
65 HD3 PRO 12 2HD PRO 12 -10.335 -2.836 3.049
66 H TYR 13 H TYR 13 -7.534 -1.013 1.119
67 HA TYR 13 HA TYR 13 -6.125 -0.574 -1.376
68 HB2 TYR 13 1HB TYR 13 -5.589 0.782 1.264
69 HB3 TYR 13 2HB TYR 13 -5.209 1.370 -0.351
70 HD1 TYR 13 HD1 TYR 13 -6.964 2.297 -1.783
71 HD2 TYR 13 HD2 TYR 13 -7.811 1.002 2.181
72 HE1 TYR 13 HE1 TYR 13 -9.099 3.516 -1.847
73 HE2 TYR 13 HE2 TYR 13 -9.949 2.217 2.127
74 HH TYR 13 HH TYR 13 -10.963 4.025 -0.759
75 H ILE 14 H ILE 14 -3.913 -0.827 -1.694
76 HA ILE 14 HA ILE 14 -2.303 -2.044 0.395
77 HB ILE 14 HB ILE 14 -2.885 -3.467 -2.203
78 HG12 ILE 14 1HG1 ILE 14 -3.280 -5.321 -0.337
79 HG13 ILE 14 2HG1 ILE 14 -3.593 -3.906 0.662
80 HG21 ILE 14 1HG2 ILE 14 -0.917 -4.484 -2.086
81 HG22 ILE 14 2HG2 ILE 14 -0.470 -3.394 -0.774
82 HG23 ILE 14 3HG2 ILE 14 -1.214 -4.951 -0.412
83 HD11 ILE 14 3HD1 ILE 14 -5.158 -5.047 -1.563
84 HD12 ILE 14 1HD1 ILE 14 -5.693 -4.269 -0.073
85 HD13 ILE 14 2HD1 ILE 14 -5.126 -3.289 -1.426
86 H CYS 15 H CYS 15 -0.329 -1.204 0.332
87 HA CYS 15 HA CYS 15 0.485 0.630 -1.636
88 HB2 CYS 15 1HB CYS 15 1.341 0.718 0.648
89 HB3 CYS 15 2HB CYS 15 2.133 -0.840 0.432
90 H THR 16 H THR 16 2.339 0.493 -3.059
91 HA THR 16 HA THR 16 2.689 -2.220 -4.155
92 HB THR 16 HB THR 16 3.243 -1.074 -6.315
93 HG1 THR 16 HG1 THR 16 3.060 1.072 -6.478
94 HG21 THR 16 3HG2 THR 16 0.500 -0.479 -5.198
95 HG22 THR 16 1HG2 THR 16 1.012 -2.017 -5.890
96 HG23 THR 16 2HG2 THR 16 0.927 -0.578 -6.906
97 H VAL 17 H VAL 17 4.272 0.614 -2.957
98 HA VAL 17 HA VAL 17 6.844 0.244 -4.015
99 HB VAL 17 HB VAL 17 6.094 1.439 -1.343
100 HG11 VAL 17 1HG1 VAL 17 8.288 2.768 -2.021
101 HG12 VAL 17 2HG1 VAL 17 8.354 1.251 -1.122
102 HG13 VAL 17 3HG1 VAL 17 8.637 1.258 -2.863
103 HG21 VAL 17 3HG2 VAL 17 6.786 3.344 -3.372
104 HG22 VAL 17 1HG2 VAL 17 5.477 2.308 -3.942
105 HG23 VAL 17 2HG2 VAL 17 5.299 3.205 -2.434
106 H CYS 18 H CYS 18 5.471 -0.828 -0.909
107 HA CYS 18 HA CYS 18 7.689 -2.757 -0.696
108 HB2 CYS 18 1HB CYS 18 7.309 -2.716 1.742
109 HB3 CYS 18 2HB CYS 18 7.728 -1.126 1.115
110 H GLY 19 H GLY 19 4.218 -2.268 -0.214
111 HA2 GLY 19 1HA GLY 19 2.674 -3.969 -0.957
112 HA3 GLY 19 2HA GLY 19 3.870 -5.180 -0.518
113 H LYS 20 H LYS 20 1.761 -2.685 0.866
114 HA LYS 20 HA LYS 20 1.477 -4.393 3.250
115 HB2 LYS 20 1HB LYS 20 2.019 -1.483 3.017
116 HB3 LYS 20 2HB LYS 20 0.887 -1.978 4.269
117 HG2 LYS 20 1HG LYS 20 2.703 -3.652 4.968
118 HG3 LYS 20 2HG LYS 20 3.785 -2.671 3.975
119 HD2 LYS 20 1HD LYS 20 3.984 -1.822 6.168
120 HD3 LYS 20 2HD LYS 20 2.959 -0.673 5.305
121 HE2 LYS 20 1HE LYS 20 0.972 -1.797 6.262
122 HE3 LYS 20 2HE LYS 20 2.044 -2.846 7.187
123 HZ1 LYS 20 3HZ LYS 20 2.996 -0.525 7.944
124 HZ2 LYS 20 1HZ LYS 20 1.670 -1.234 8.719
125 HZ3 LYS 20 2HZ LYS 20 1.427 -0.016 7.571
126 H ALA 21 H ALA 21 -0.552 -3.271 4.549
127 HA ALA 21 HA ALA 21 -2.741 -2.908 2.628
128 HB1 ALA 21 3HB ALA 21 -3.613 -4.509 4.861
129 HB2 ALA 21 1HB ALA 21 -3.762 -4.815 3.130
130 HB3 ALA 21 2HB ALA 21 -2.299 -5.299 3.989
131 H PHE 22 H PHE 22 -4.318 -1.516 3.269
132 HA PHE 22 HA PHE 22 -4.374 -0.609 6.046
133 HB2 PHE 22 1HB PHE 22 -4.181 1.332 3.736
134 HB3 PHE 22 2HB PHE 22 -4.244 1.731 5.449
135 HD1 PHE 22 HD2 PHE 22 -2.169 0.197 2.812
136 HD2 PHE 22 HD1 PHE 22 -2.297 1.735 6.779
137 HE1 PHE 22 HE2 PHE 22 0.288 0.134 2.912
138 HE2 PHE 22 HE1 PHE 22 0.161 1.675 6.885
139 HZ PHE 22 HZ PHE 22 1.457 0.872 4.950
140 H THR 23 H THR 23 -6.398 -0.480 6.748
141 HA THR 23 HA THR 23 -8.630 -1.163 5.290
142 HB THR 23 HB THR 23 -9.985 -0.144 7.090
143 HG1 THR 23 HG1 THR 23 -8.875 0.948 8.775
144 HG21 THR 23 3HG2 THR 23 -7.548 -1.675 8.001
145 HG22 THR 23 1HG2 THR 23 -9.085 -2.354 7.467
146 HG23 THR 23 2HG2 THR 23 -9.002 -1.436 8.970
147 H ASP 24 H ASP 24 -7.868 2.158 6.359
148 HA ASP 24 HA ASP 24 -9.626 3.199 4.273
149 HB2 ASP 24 1HB ASP 24 -9.477 3.975 6.796
150 HB3 ASP 24 2HB ASP 24 -8.161 4.971 6.182
151 H ARG 25 H ARG 25 -8.936 4.849 2.815
152 HA ARG 25 HA ARG 25 -6.425 4.330 1.624
153 HB2 ARG 25 1HB ARG 25 -8.366 5.099 0.336
154 HB3 ARG 25 2HB ARG 25 -8.325 6.640 1.182
155 HG2 ARG 25 1HG ARG 25 -5.978 6.917 0.254
156 HG3 ARG 25 2HG ARG 25 -6.355 5.553 -0.801
157 HD2 ARG 25 1HD ARG 25 -8.509 6.991 -1.307
158 HD3 ARG 25 2HD ARG 25 -7.467 8.314 -0.782
159 HE ARG 25 HE ARG 25 -5.988 6.893 -2.610
160 HH11 ARG 25 1HH1 ARG 25 -9.040 8.567 -2.600
161 HH12 ARG 25 2HH1 ARG 25 -8.959 8.995 -4.277
162 HH21 ARG 25 1HH2 ARG 25 -5.870 7.450 -4.819
163 HH22 ARG 25 2HH2 ARG 25 -7.156 8.358 -5.539
164 H SER 26 H SER 26 -7.628 6.998 3.619
165 HA SER 26 HA SER 26 -5.604 8.808 3.483
166 HB2 SER 26 1HB SER 26 -6.993 7.920 6.024
167 HB3 SER 26 2HB SER 26 -6.139 9.447 5.797
168 HG SER 26 HG SER 26 -8.173 8.782 3.998
169 H ASN 27 H ASN 27 -5.689 6.133 5.846
170 HA ASN 27 HA ASN 27 -3.217 6.456 6.985
171 HB2 ASN 27 1HB ASN 27 -4.728 3.920 6.346
172 HB3 ASN 27 2HB ASN 27 -3.253 3.936 7.308
173 HD21 ASN 27 1HD2 ASN 27 -6.544 4.015 7.433
174 HD22 ASN 27 2HD2 ASN 27 -6.752 4.669 9.019
175 H LEU 28 H LEU 28 -3.968 4.540 4.080
176 HA LEU 28 HA LEU 28 -1.423 3.608 3.513
177 HB2 LEU 28 1HB LEU 28 -3.281 2.766 2.298
178 HB3 LEU 28 2HB LEU 28 -3.695 4.370 1.696
179 HG LEU 28 HG LEU 28 -1.507 4.309 0.420
180 HD11 LEU 28 1HD1 LEU 28 -0.664 2.010 -0.057
181 HD12 LEU 28 2HD1 LEU 28 -1.651 1.427 1.283
182 HD13 LEU 28 3HD1 LEU 28 -0.348 2.577 1.583
183 HD21 LEU 28 3HD2 LEU 28 -2.685 2.251 -1.008
184 HD22 LEU 28 1HD2 LEU 28 -3.031 3.973 -1.168
185 HD23 LEU 28 2HD2 LEU 28 -4.022 2.969 -0.109
186 H ILE 29 H ILE 29 -2.968 6.572 2.274
187 HA ILE 29 HA ILE 29 -0.902 7.560 0.748
188 HB ILE 29 HB ILE 29 -2.754 9.199 2.482
189 HG12 ILE 29 1HG1 ILE 29 -3.072 8.290 -0.387
190 HG13 ILE 29 2HG1 ILE 29 -3.939 7.619 0.989
191 HG21 ILE 29 1HG2 ILE 29 -1.046 10.632 1.741
192 HG22 ILE 29 2HG2 ILE 29 -1.000 9.886 0.144
193 HG23 ILE 29 3HG2 ILE 29 -2.377 10.883 0.612
194 HD11 ILE 29 3HD1 ILE 29 -4.353 10.142 -0.468
195 HD12 ILE 29 1HD1 ILE 29 -5.516 9.073 0.316
196 HD13 ILE 29 2HD1 ILE 29 -4.568 10.205 1.281
197 H LYS 30 H LYS 30 -1.390 7.887 4.238
198 HA LYS 30 HA LYS 30 0.842 9.587 4.679
199 HB2 LYS 30 1HB LYS 30 -0.904 9.539 6.317
200 HB3 LYS 30 2HB LYS 30 -0.746 7.800 6.522
201 HG2 LYS 30 1HG LYS 30 1.477 8.118 7.494
202 HG3 LYS 30 2HG LYS 30 1.305 9.865 7.300
203 HD2 LYS 30 1HD LYS 30 -0.642 8.201 8.881
204 HD3 LYS 30 2HD LYS 30 0.794 8.931 9.601
205 HE2 LYS 30 1HE LYS 30 -1.010 10.664 7.994
206 HE3 LYS 30 2HE LYS 30 -1.550 10.162 9.595
207 HZ1 LYS 30 3HZ LYS 30 1.134 11.030 9.713
208 HZ2 LYS 30 1HZ LYS 30 -0.219 11.654 10.513
209 HZ3 LYS 30 2HZ LYS 30 0.190 12.225 8.975
210 H HIS 31 H HIS 31 0.394 6.099 4.674
211 HA HIS 31 HA HIS 31 2.885 5.403 5.801
212 HB2 HIS 31 1HB HIS 31 1.443 3.609 5.794
213 HB3 HIS 31 2HB HIS 31 0.809 3.987 4.195
214 HD1 HIS 31 HD1 HIS 31 3.623 2.208 5.909
215 HD2 HIS 31 HD2 HIS 31 2.183 2.828 2.061
216 HE1 HIS 31 HE1 HIS 31 4.882 0.592 4.451
217 H GLN 32 H GLN 32 1.834 5.720 2.421
218 HA GLN 32 HA GLN 32 4.089 4.916 1.095
219 HB2 GLN 32 1HB GLN 32 2.127 7.113 0.483
220 HB3 GLN 32 2HB GLN 32 3.449 6.732 -0.613
221 HG2 GLN 32 1HG GLN 32 2.485 4.287 -0.352
222 HG3 GLN 32 2HG GLN 32 1.013 5.174 0.040
223 HE21 GLN 32 1HE2 GLN 32 1.473 3.491 -2.229
224 HE22 GLN 32 2HE2 GLN 32 1.298 4.476 -3.637
225 H LYS 33 H LYS 33 3.709 7.680 3.104
226 HA LYS 33 HA LYS 33 5.651 9.407 2.113
227 HB2 LYS 33 1HB LYS 33 4.831 8.879 4.974
228 HB3 LYS 33 2HB LYS 33 5.828 10.235 4.464
229 HG2 LYS 33 1HG LYS 33 3.061 9.736 3.400
230 HG3 LYS 33 2HG LYS 33 3.396 10.740 4.813
231 HD2 LYS 33 1HD LYS 33 4.841 12.172 3.431
232 HD3 LYS 33 2HD LYS 33 4.459 11.180 2.021
233 HE2 LYS 33 1HE LYS 33 2.079 11.755 2.295
234 HE3 LYS 33 2HE LYS 33 2.502 12.789 3.660
235 HZ1 LYS 33 3HZ LYS 33 2.516 14.330 2.022
236 HZ2 LYS 33 1HZ LYS 33 2.907 13.223 0.804
237 HZ3 LYS 33 2HZ LYS 33 4.112 13.799 1.841
238 H ILE 34 H ILE 34 5.974 6.596 4.224
239 HA ILE 34 HA ILE 34 8.594 6.856 5.044
240 HB ILE 34 HB ILE 34 8.641 4.528 5.446
241 HG12 ILE 34 1HG1 ILE 34 6.403 4.248 3.428
242 HG13 ILE 34 2HG1 ILE 34 8.082 3.795 3.161
243 HG21 ILE 34 1HG2 ILE 34 5.825 4.421 5.789
244 HG22 ILE 34 2HG2 ILE 34 7.069 4.751 6.994
245 HG23 ILE 34 3HG2 ILE 34 6.353 6.078 6.080
246 HD11 ILE 34 3HD1 ILE 34 6.033 2.497 4.903
247 HD12 ILE 34 1HD1 ILE 34 7.050 1.786 3.651
248 HD13 ILE 34 2HD1 ILE 34 7.755 2.257 5.198
249 H HIS 35 H HIS 35 7.356 6.011 1.903
250 HA HIS 35 HA HIS 35 9.965 5.171 0.931
251 HB2 HIS 35 1HB HIS 35 7.425 5.544 -0.663
252 HB3 HIS 35 2HB HIS 35 8.852 4.620 -1.125
253 HD1 HIS 35 HD1 HIS 35 9.344 2.681 0.973
254 HD2 HIS 35 HD2 HIS 35 5.465 3.842 0.041
255 HE1 HIS 35 HE1 HIS 35 7.867 0.831 1.820
256 H THR 36 H THR 36 8.012 8.000 1.059
257 HA THR 36 HA THR 36 9.219 9.356 -1.159
258 HB THR 36 HB THR 36 8.060 11.342 -0.372
259 HG1 THR 36 HG1 THR 36 8.432 10.494 1.977
260 HG21 THR 36 3HG2 THR 36 6.205 9.012 0.072
261 HG22 THR 36 1HG2 THR 36 6.812 9.451 -1.524
262 HG23 THR 36 2HG2 THR 36 5.826 10.593 -0.610
263 H GLY 37 H GLY 37 11.076 10.453 -1.217
264 HA2 GLY 37 1HA GLY 37 12.303 11.248 1.349
265 HA3 GLY 37 2HA GLY 37 13.244 10.449 0.098
266 H GLU 38 H GLU 38 11.100 13.269 0.500
267 HA GLU 38 HA GLU 38 12.700 14.704 -1.490
268 HB2 GLU 38 1HB GLU 38 10.253 14.696 -1.777
269 HB3 GLU 38 2HB GLU 38 10.070 15.456 -0.202
270 HG2 GLU 38 1HG GLU 38 11.173 17.445 -0.975
271 HG3 GLU 38 2HG GLU 38 11.541 16.684 -2.521
272 H LYS 39 H LYS 39 11.304 15.264 1.742
273 HA LYS 39 HA LYS 39 12.420 17.656 2.398
274 HB2 LYS 39 1HB LYS 39 10.933 16.069 3.799
275 HB3 LYS 39 2HB LYS 39 12.450 15.397 4.383
276 HG2 LYS 39 1HG LYS 39 13.109 17.562 5.249
277 HG3 LYS 39 2HG LYS 39 11.635 18.289 4.603
278 HD2 LYS 39 1HD LYS 39 11.498 15.976 6.504
279 HD3 LYS 39 2HD LYS 39 11.713 17.623 7.102
280 HE2 LYS 39 1HE LYS 39 9.676 18.274 5.816
281 HE3 LYS 39 2HE LYS 39 9.435 16.570 5.430
282 HZ1 LYS 39 3HZ LYS 39 8.266 17.654 7.479
283 HZ2 LYS 39 1HZ LYS 39 9.744 17.343 8.242
284 HZ3 LYS 39 2HZ LYS 39 8.857 16.072 7.567
285 HA PRO 40 HA PRO 40 16.797 17.134 2.293
286 HB2 PRO 40 1HB PRO 40 17.490 19.277 3.809
287 HB3 PRO 40 2HB PRO 40 16.909 19.424 2.146
288 HG2 PRO 40 1HG PRO 40 15.415 19.793 4.714
289 HG3 PRO 40 2HG PRO 40 15.361 20.773 3.237
290 HD2 PRO 40 1HD PRO 40 13.460 18.942 3.841
291 HD3 PRO 40 2HD PRO 40 13.932 19.313 2.170
292 H SER 41 H SER 41 14.881 16.727 5.027
293 HA SER 41 HA SER 41 15.199 15.781 7.072
294 HB2 SER 41 1HB SER 41 16.372 14.122 5.406
295 HB3 SER 41 2HB SER 41 17.848 14.697 6.181
296 HG SER 41 HG SER 41 16.956 12.838 7.210
297 H GLY 42 H GLY 42 16.052 18.446 6.811
298 HA2 GLY 42 1HA GLY 42 18.637 18.711 8.086
299 HA3 GLY 42 2HA GLY 42 17.538 20.017 7.667
300 HA PRO 43 HA PRO 43 16.260 20.423 11.835
301 HB2 PRO 43 1HB PRO 43 13.593 20.879 11.620
302 HB3 PRO 43 2HB PRO 43 14.812 22.069 11.148
303 HG2 PRO 43 1HG PRO 43 13.257 20.168 9.435
304 HG3 PRO 43 2HG PRO 43 13.638 21.876 9.150
305 HD2 PRO 43 1HD PRO 43 15.010 19.861 7.972
306 HD3 PRO 43 2HD PRO 43 15.768 21.406 8.405
307 H SER 44 H SER 44 14.094 18.315 9.959
308 HA SER 44 HA SER 44 12.764 16.559 10.640
309 HB2 SER 44 1HB SER 44 14.162 14.718 11.632
310 HB3 SER 44 2HB SER 44 14.840 15.435 10.171
311 HG SER 44 HG SER 44 16.523 15.955 11.296
312 H SER 45 H SER 45 12.360 18.704 12.359
313 HA SER 45 HA SER 45 11.615 17.282 14.787
314 HB2 SER 45 1HB SER 45 12.652 18.771 16.307
315 HB3 SER 45 2HB SER 45 13.900 18.395 15.120
316 HG SER 45 HG SER 45 12.838 20.428 14.077
317 H GLY 46 H GLY 46 10.288 18.821 16.244
318 HA2 GLY 46 1HA GLY 46 9.076 21.137 15.488
319 HA3 GLY 46 2HA GLY 46 8.194 19.908 14.593
Start of MODEL 14
1 H1 GLY 1 H GLY 1 11.896 -17.100 16.207
2 HA2 GLY 1 1HA GLY 1 11.101 -17.064 13.882
3 HA3 GLY 1 2HA GLY 1 9.915 -16.302 14.931
4 H SER 2 H SER 2 9.476 -14.158 14.712
5 HA SER 2 HA SER 2 9.414 -12.082 13.780
6 HB2 SER 2 1HB SER 2 11.818 -12.037 14.528
7 HB3 SER 2 2HB SER 2 12.269 -12.578 12.911
8 HG SER 2 HG SER 2 10.896 -10.629 12.279
9 H SER 3 H SER 3 8.372 -14.167 12.304
10 HA SER 3 HA SER 3 9.328 -14.086 9.598
11 HB2 SER 3 1HB SER 3 6.834 -15.256 10.843
12 HB3 SER 3 2HB SER 3 7.221 -15.395 9.129
13 HG SER 3 HG SER 3 9.194 -16.423 9.783
14 H GLY 4 H GLY 4 9.054 -12.361 8.349
15 HA2 GLY 4 1HA GLY 4 6.931 -10.464 8.848
16 HA3 GLY 4 2HA GLY 4 8.177 -10.339 7.615
17 H SER 5 H SER 5 5.204 -12.100 8.427
18 HA SER 5 HA SER 5 4.203 -11.734 5.756
19 HB2 SER 5 1HB SER 5 5.567 -13.674 5.308
20 HB3 SER 5 2HB SER 5 4.933 -14.505 6.728
21 HG SER 5 HG SER 5 3.087 -13.631 4.837
22 H SER 6 H SER 6 1.984 -12.122 5.585
23 HA SER 6 HA SER 6 0.597 -13.037 7.999
24 HB2 SER 6 1HB SER 6 0.836 -10.439 7.783
25 HB3 SER 6 2HB SER 6 -0.428 -10.608 6.565
26 HG SER 6 HG SER 6 -1.556 -11.851 8.299
27 H GLY 7 H GLY 7 -0.817 -14.559 7.473
28 HA2 GLY 7 1HA GLY 7 -1.504 -15.088 4.745
29 HA3 GLY 7 2HA GLY 7 -2.104 -15.948 6.155
30 H THR 8 H THR 8 -4.234 -15.875 6.290
31 HA THR 8 HA THR 8 -6.046 -14.540 4.856
32 HB THR 8 HB THR 8 -6.393 -14.857 7.841
33 HG1 THR 8 HG1 THR 8 -5.802 -16.858 7.140
34 HG21 THR 8 3HG2 THR 8 -8.752 -15.519 6.620
35 HG22 THR 8 1HG2 THR 8 -8.164 -14.207 5.599
36 HG23 THR 8 2HG2 THR 8 -8.385 -13.947 7.330
37 H GLY 9 H GLY 9 -6.825 -12.526 4.585
38 HA2 GLY 9 1HA GLY 9 -7.312 -10.456 6.120
39 HA3 GLY 9 2HA GLY 9 -5.556 -10.387 6.134
40 H GLU 10 H GLU 10 -8.331 -9.354 4.577
41 HA GLU 10 HA GLU 10 -6.777 -8.555 2.203
42 HB2 GLU 10 1HB GLU 10 -9.757 -9.040 2.373
43 HB3 GLU 10 2HB GLU 10 -8.875 -8.536 0.938
44 HG2 GLU 10 1HG GLU 10 -7.828 -10.610 0.708
45 HG3 GLU 10 2HG GLU 10 -8.219 -11.089 2.359
46 H ARG 11 H ARG 11 -7.369 -6.488 1.252
47 HA ARG 11 HA ARG 11 -8.916 -4.645 2.858
48 HB2 ARG 11 1HB ARG 11 -5.950 -4.224 2.443
49 HB3 ARG 11 2HB ARG 11 -7.059 -3.031 3.107
50 HG2 ARG 11 1HG ARG 11 -6.551 -5.726 4.344
51 HG3 ARG 11 2HG ARG 11 -5.706 -4.246 4.803
52 HD2 ARG 11 1HD ARG 11 -7.734 -3.233 5.546
53 HD3 ARG 11 2HD ARG 11 -8.702 -4.542 4.869
54 HE ARG 11 HE ARG 11 -8.264 -5.789 6.740
55 HH11 ARG 11 1HH1 ARG 11 -6.061 -3.097 6.614
56 HH12 ARG 11 2HH1 ARG 11 -5.423 -3.376 8.200
57 HH21 ARG 11 1HH2 ARG 11 -7.432 -6.168 8.830
58 HH22 ARG 11 2HH2 ARG 11 -6.203 -5.124 9.460
59 HA PRO 12 HA PRO 12 -9.696 -2.841 -1.069
60 HB2 PRO 12 1HB PRO 12 -10.268 -0.287 -0.346
61 HB3 PRO 12 2HB PRO 12 -11.364 -1.639 -0.042
62 HG2 PRO 12 1HG PRO 12 -9.438 -0.307 1.822
63 HG3 PRO 12 2HG PRO 12 -11.104 -0.834 2.124
64 HD2 PRO 12 1HD PRO 12 -8.953 -2.273 2.922
65 HD3 PRO 12 2HD PRO 12 -10.485 -3.031 2.440
66 H TYR 13 H TYR 13 -7.468 -1.103 1.063
67 HA TYR 13 HA TYR 13 -6.083 -0.065 -1.320
68 HB2 TYR 13 1HB TYR 13 -5.724 1.019 1.463
69 HB3 TYR 13 2HB TYR 13 -5.367 1.800 -0.073
70 HD1 TYR 13 HD1 TYR 13 -7.261 2.591 -1.512
71 HD2 TYR 13 HD2 TYR 13 -7.862 1.208 2.467
72 HE1 TYR 13 HE1 TYR 13 -9.460 3.692 -1.468
73 HE2 TYR 13 HE2 TYR 13 -10.063 2.304 2.521
74 HH TYR 13 HH TYR 13 -11.064 4.493 1.065
75 H ILE 14 H ILE 14 -3.930 -0.437 -1.593
76 HA ILE 14 HA ILE 14 -2.422 -1.755 0.528
77 HB ILE 14 HB ILE 14 -2.872 -2.973 -2.194
78 HG12 ILE 14 1HG1 ILE 14 -3.316 -4.987 -0.576
79 HG13 ILE 14 2HG1 ILE 14 -3.553 -3.726 0.628
80 HG21 ILE 14 1HG2 ILE 14 -1.224 -4.614 -0.572
81 HG22 ILE 14 2HG2 ILE 14 -0.844 -3.866 -2.123
82 HG23 ILE 14 3HG2 ILE 14 -0.507 -3.004 -0.623
83 HD11 ILE 14 3HD1 ILE 14 -5.384 -4.709 -1.283
84 HD12 ILE 14 1HD1 ILE 14 -5.624 -3.446 -0.076
85 HD13 ILE 14 2HD1 ILE 14 -5.035 -3.028 -1.686
86 H CYS 15 H CYS 15 -0.314 -1.202 0.546
87 HA CYS 15 HA CYS 15 0.581 0.908 -1.131
88 HB2 CYS 15 1HB CYS 15 1.328 0.623 1.211
89 HB3 CYS 15 2HB CYS 15 2.184 -0.843 0.746
90 H THR 16 H THR 16 1.240 0.709 -3.156
91 HA THR 16 HA THR 16 2.141 -1.851 -4.179
92 HB THR 16 HB THR 16 0.596 -0.453 -5.513
93 HG1 THR 16 HG1 THR 16 2.336 -0.380 -7.397
94 HG21 THR 16 3HG2 THR 16 2.948 1.433 -5.577
95 HG22 THR 16 1HG2 THR 16 1.318 1.761 -4.991
96 HG23 THR 16 2HG2 THR 16 1.603 1.517 -6.714
97 H VAL 17 H VAL 17 3.851 -0.572 -2.253
98 HA VAL 17 HA VAL 17 6.243 -0.201 -3.930
99 HB VAL 17 HB VAL 17 5.581 1.314 -1.401
100 HG11 VAL 17 1HG1 VAL 17 8.068 1.352 -3.107
101 HG12 VAL 17 2HG1 VAL 17 7.717 2.485 -1.800
102 HG13 VAL 17 3HG1 VAL 17 7.937 0.771 -1.448
103 HG21 VAL 17 3HG2 VAL 17 5.966 3.256 -3.100
104 HG22 VAL 17 1HG2 VAL 17 5.595 2.021 -4.303
105 HG23 VAL 17 2HG2 VAL 17 4.413 2.421 -3.056
106 H CYS 18 H CYS 18 5.112 -0.922 -0.631
107 HA CYS 18 HA CYS 18 7.473 -2.633 -0.260
108 HB2 CYS 18 1HB CYS 18 7.016 -2.480 2.139
109 HB3 CYS 18 2HB CYS 18 7.157 -0.875 1.430
110 H GLY 19 H GLY 19 3.953 -2.583 -0.094
111 HA2 GLY 19 1HA GLY 19 2.746 -4.558 -0.819
112 HA3 GLY 19 2HA GLY 19 4.008 -5.532 -0.080
113 H LYS 20 H LYS 20 2.521 -2.715 1.405
114 HA LYS 20 HA LYS 20 1.549 -4.455 3.558
115 HB2 LYS 20 1HB LYS 20 3.116 -2.399 3.904
116 HB3 LYS 20 2HB LYS 20 1.640 -1.460 3.718
117 HG2 LYS 20 1HG LYS 20 0.712 -2.286 5.668
118 HG3 LYS 20 2HG LYS 20 1.750 -3.713 5.677
119 HD2 LYS 20 1HD LYS 20 2.782 -2.493 7.306
120 HD3 LYS 20 2HD LYS 20 3.647 -1.875 5.897
121 HE2 LYS 20 1HE LYS 20 2.586 0.150 5.965
122 HE3 LYS 20 2HE LYS 20 1.130 -0.515 6.704
123 HZ1 LYS 20 3HZ LYS 20 3.712 -0.221 8.135
124 HZ2 LYS 20 1HZ LYS 20 2.211 -0.626 8.802
125 HZ3 LYS 20 2HZ LYS 20 2.472 0.929 8.190
126 H ALA 21 H ALA 21 -0.552 -4.178 4.427
127 HA ALA 21 HA ALA 21 -2.474 -3.112 2.473
128 HB1 ALA 21 3HB ALA 21 -3.972 -4.742 3.087
129 HB2 ALA 21 1HB ALA 21 -2.442 -5.589 3.319
130 HB3 ALA 21 2HB ALA 21 -3.293 -4.910 4.707
131 H PHE 22 H PHE 22 -4.217 -1.834 3.150
132 HA PHE 22 HA PHE 22 -4.185 -0.862 5.909
133 HB2 PHE 22 1HB PHE 22 -4.210 1.015 3.540
134 HB3 PHE 22 2HB PHE 22 -4.186 1.459 5.243
135 HD1 PHE 22 HD2 PHE 22 -2.201 -0.386 2.693
136 HD2 PHE 22 HD1 PHE 22 -2.172 1.908 6.278
137 HE1 PHE 22 HE2 PHE 22 0.258 -0.345 2.643
138 HE2 PHE 22 HE1 PHE 22 0.287 1.954 6.233
139 HZ PHE 22 HZ PHE 22 1.506 0.826 4.414
140 H THR 23 H THR 23 -6.164 -0.355 6.709
141 HA THR 23 HA THR 23 -8.459 -1.292 5.344
142 HB THR 23 HB THR 23 -9.744 -0.399 7.242
143 HG1 THR 23 HG1 THR 23 -8.919 1.336 8.131
144 HG21 THR 23 3HG2 THR 23 -8.853 -1.820 8.910
145 HG22 THR 23 1HG2 THR 23 -7.210 -1.638 8.297
146 HG23 THR 23 2HG2 THR 23 -8.400 -2.553 7.371
147 H ASP 24 H ASP 24 -7.496 2.006 6.300
148 HA ASP 24 HA ASP 24 -9.492 3.084 4.445
149 HB2 ASP 24 1HB ASP 24 -9.484 3.958 6.754
150 HB3 ASP 24 2HB ASP 24 -7.824 4.504 6.533
151 H ARG 25 H ARG 25 -8.914 4.803 2.984
152 HA ARG 25 HA ARG 25 -6.574 4.242 1.501
153 HB2 ARG 25 1HB ARG 25 -8.713 5.189 0.583
154 HB3 ARG 25 2HB ARG 25 -8.284 6.725 1.323
155 HG2 ARG 25 1HG ARG 25 -6.179 6.692 -0.028
156 HG3 ARG 25 2HG ARG 25 -6.821 5.280 -0.870
157 HD2 ARG 25 1HD ARG 25 -8.023 8.042 -0.772
158 HD3 ARG 25 2HD ARG 25 -7.285 7.256 -2.166
159 HE ARG 25 HE ARG 25 -9.482 5.766 -1.109
160 HH11 ARG 25 1HH1 ARG 25 -8.618 8.449 -3.152
161 HH12 ARG 25 2HH1 ARG 25 -10.064 8.361 -4.102
162 HH21 ARG 25 1HH2 ARG 25 -11.391 5.640 -2.352
163 HH22 ARG 25 2HH2 ARG 25 -11.641 6.763 -3.645
164 H SER 26 H SER 26 -7.450 6.931 3.647
165 HA SER 26 HA SER 26 -5.238 8.545 3.325
166 HB2 SER 26 1HB SER 26 -7.251 9.087 4.706
167 HB3 SER 26 2HB SER 26 -6.634 8.008 5.957
168 HG SER 26 HG SER 26 -5.873 10.556 5.310
169 H ASN 27 H ASN 27 -5.638 5.970 5.760
170 HA ASN 27 HA ASN 27 -3.206 6.068 6.995
171 HB2 ASN 27 1HB ASN 27 -4.760 3.591 6.219
172 HB3 ASN 27 2HB ASN 27 -3.456 3.627 7.401
173 HD21 ASN 27 1HD2 ASN 27 -4.532 3.151 9.219
174 HD22 ASN 27 2HD2 ASN 27 -5.827 4.092 9.869
175 H LEU 28 H LEU 28 -3.929 4.840 3.804
176 HA LEU 28 HA LEU 28 -1.375 3.588 3.424
177 HB2 LEU 28 1HB LEU 28 -3.344 2.802 2.234
178 HB3 LEU 28 2HB LEU 28 -3.516 4.372 1.450
179 HG LEU 28 HG LEU 28 -1.435 4.000 0.229
180 HD11 LEU 28 1HD1 LEU 28 -1.054 1.220 0.634
181 HD12 LEU 28 2HD1 LEU 28 -1.025 2.010 2.210
182 HD13 LEU 28 3HD1 LEU 28 0.074 2.542 0.937
183 HD21 LEU 28 3HD2 LEU 28 -2.972 1.488 -0.203
184 HD22 LEU 28 1HD2 LEU 28 -2.360 2.656 -1.375
185 HD23 LEU 28 2HD2 LEU 28 -3.796 3.033 -0.421
186 H ILE 29 H ILE 29 -2.880 6.628 2.394
187 HA ILE 29 HA ILE 29 -0.726 7.550 0.828
188 HB ILE 29 HB ILE 29 -2.786 9.188 2.311
189 HG12 ILE 29 1HG1 ILE 29 -2.850 8.420 -0.601
190 HG13 ILE 29 2HG1 ILE 29 -3.571 7.395 0.636
191 HG21 ILE 29 1HG2 ILE 29 -2.206 11.011 0.974
192 HG22 ILE 29 2HG2 ILE 29 -0.655 10.315 1.439
193 HG23 ILE 29 3HG2 ILE 29 -1.312 10.008 -0.168
194 HD11 ILE 29 3HD1 ILE 29 -4.996 9.164 -0.656
195 HD12 ILE 29 1HD1 ILE 29 -5.263 8.867 1.061
196 HD13 ILE 29 2HD1 ILE 29 -4.323 10.268 0.544
197 H LYS 30 H LYS 30 -1.450 7.808 4.258
198 HA LYS 30 HA LYS 30 0.647 9.671 4.825
199 HB2 LYS 30 1HB LYS 30 0.059 9.414 7.104
200 HB3 LYS 30 2HB LYS 30 -1.450 9.304 6.207
201 HG2 LYS 30 1HG LYS 30 -1.482 6.917 6.438
202 HG3 LYS 30 2HG LYS 30 0.123 6.926 7.172
203 HD2 LYS 30 1HD LYS 30 -1.532 6.683 8.905
204 HD3 LYS 30 2HD LYS 30 -0.790 8.279 9.040
205 HE2 LYS 30 1HE LYS 30 -3.249 8.028 7.394
206 HE3 LYS 30 2HE LYS 30 -3.421 7.922 9.145
207 HZ1 LYS 30 3HZ LYS 30 -2.502 10.188 7.509
208 HZ2 LYS 30 1HZ LYS 30 -1.992 10.056 9.117
209 HZ3 LYS 30 2HZ LYS 30 -3.642 10.164 8.760
210 H HIS 31 H HIS 31 0.441 6.248 4.466
211 HA HIS 31 HA HIS 31 2.904 5.719 5.896
212 HB2 HIS 31 1HB HIS 31 1.454 3.920 6.109
213 HB3 HIS 31 2HB HIS 31 0.885 4.048 4.447
214 HD1 HIS 31 HD1 HIS 31 3.579 2.542 6.535
215 HD2 HIS 31 HD2 HIS 31 2.479 2.740 2.534
216 HE1 HIS 31 HE1 HIS 31 4.975 0.806 5.368
217 H GLN 32 H GLN 32 1.774 5.629 2.528
218 HA GLN 32 HA GLN 32 4.027 4.753 1.245
219 HB2 GLN 32 1HB GLN 32 2.036 6.859 0.414
220 HB3 GLN 32 2HB GLN 32 3.296 6.268 -0.661
221 HG2 GLN 32 1HG GLN 32 1.521 4.285 0.656
222 HG3 GLN 32 2HG GLN 32 0.875 5.245 -0.674
223 HE21 GLN 32 1HE2 GLN 32 0.718 2.998 -1.557
224 HE22 GLN 32 2HE2 GLN 32 2.074 2.404 -2.447
225 H LYS 33 H LYS 33 3.630 7.666 2.997
226 HA LYS 33 HA LYS 33 5.456 9.371 1.772
227 HB2 LYS 33 1HB LYS 33 4.608 9.043 4.641
228 HB3 LYS 33 2HB LYS 33 5.774 10.269 4.162
229 HG2 LYS 33 1HG LYS 33 4.006 11.038 2.486
230 HG3 LYS 33 2HG LYS 33 2.881 10.042 3.413
231 HD2 LYS 33 1HD LYS 33 3.343 11.307 5.415
232 HD3 LYS 33 2HD LYS 33 4.598 12.230 4.585
233 HE2 LYS 33 1HE LYS 33 2.825 13.692 4.487
234 HE3 LYS 33 2HE LYS 33 2.656 12.845 2.950
235 HZ1 LYS 33 3HZ LYS 33 0.531 12.996 4.024
236 HZ2 LYS 33 1HZ LYS 33 1.136 12.298 5.442
237 HZ3 LYS 33 2HZ LYS 33 1.023 11.378 4.028
238 H ILE 34 H ILE 34 5.984 6.736 4.053
239 HA ILE 34 HA ILE 34 8.637 7.170 4.717
240 HB ILE 34 HB ILE 34 8.800 4.859 5.280
241 HG12 ILE 34 1HG1 ILE 34 6.344 4.411 3.570
242 HG13 ILE 34 2HG1 ILE 34 7.986 3.946 3.136
243 HG21 ILE 34 1HG2 ILE 34 5.938 5.729 5.663
244 HG22 ILE 34 2HG2 ILE 34 6.800 4.526 6.621
245 HG23 ILE 34 3HG2 ILE 34 7.302 6.216 6.670
246 HD11 ILE 34 3HD1 ILE 34 6.392 2.876 5.452
247 HD12 ILE 34 1HD1 ILE 34 6.728 2.041 3.936
248 HD13 ILE 34 2HD1 ILE 34 8.046 2.421 5.046
249 H HIS 35 H HIS 35 7.261 6.067 1.732
250 HA HIS 35 HA HIS 35 9.842 5.195 0.697
251 HB2 HIS 35 1HB HIS 35 7.204 5.315 -0.769
252 HB3 HIS 35 2HB HIS 35 8.641 4.404 -1.226
253 HD1 HIS 35 HD1 HIS 35 9.336 2.674 0.972
254 HD2 HIS 35 HD2 HIS 35 5.361 3.642 0.251
255 HE1 HIS 35 HE1 HIS 35 7.991 0.867 2.089
256 H THR 36 H THR 36 7.770 7.944 0.662
257 HA THR 36 HA THR 36 9.473 9.201 -1.391
258 HB THR 36 HB THR 36 7.256 9.056 -2.284
259 HG1 THR 36 HG1 THR 36 6.782 11.314 -2.467
260 HG21 THR 36 3HG2 THR 36 6.172 8.754 -0.010
261 HG22 THR 36 1HG2 THR 36 5.281 9.741 -1.168
262 HG23 THR 36 2HG2 THR 36 6.194 10.512 0.129
263 H GLY 37 H GLY 37 10.872 9.657 0.513
264 HA2 GLY 37 1HA GLY 37 10.540 12.341 1.354
265 HA3 GLY 37 2HA GLY 37 10.130 11.253 2.671
266 H GLU 38 H GLU 38 11.774 9.734 3.389
267 HA GLU 38 HA GLU 38 14.249 10.960 3.832
268 HB2 GLU 38 1HB GLU 38 13.465 8.052 4.077
269 HB3 GLU 38 2HB GLU 38 14.962 8.733 4.698
270 HG2 GLU 38 1HG GLU 38 13.550 10.295 6.073
271 HG3 GLU 38 2HG GLU 38 12.157 9.328 5.592
272 H LYS 39 H LYS 39 13.549 8.093 1.826
273 HA LYS 39 HA LYS 39 16.141 8.125 0.617
274 HB2 LYS 39 1HB LYS 39 15.379 6.267 -0.686
275 HB3 LYS 39 2HB LYS 39 14.744 6.069 0.943
276 HG2 LYS 39 1HG LYS 39 12.639 7.252 -0.020
277 HG3 LYS 39 2HG LYS 39 13.306 6.758 -1.579
278 HD2 LYS 39 1HD LYS 39 13.019 4.783 0.656
279 HD3 LYS 39 2HD LYS 39 11.640 5.188 -0.368
280 HE2 LYS 39 1HE LYS 39 12.515 3.374 -1.482
281 HE3 LYS 39 2HE LYS 39 13.311 4.708 -2.315
282 HZ1 LYS 39 3HZ LYS 39 15.021 4.209 -0.309
283 HZ2 LYS 39 1HZ LYS 39 15.159 3.555 -1.863
284 HZ3 LYS 39 2HZ LYS 39 14.439 2.653 -0.627
285 HA PRO 40 HA PRO 40 15.467 10.972 -2.665
286 HB2 PRO 40 1HB PRO 40 17.232 10.004 -4.487
287 HB3 PRO 40 2HB PRO 40 17.733 10.871 -3.030
288 HG2 PRO 40 1HG PRO 40 17.651 7.923 -3.546
289 HG3 PRO 40 2HG PRO 40 18.906 8.884 -2.743
290 HD2 PRO 40 1HD PRO 40 17.079 7.434 -1.368
291 HD3 PRO 40 2HD PRO 40 17.753 8.955 -0.749
292 H SER 41 H SER 41 13.644 10.950 -3.821
293 HA SER 41 HA SER 41 12.307 8.772 -4.841
294 HB2 SER 41 1HB SER 41 11.040 10.335 -6.211
295 HB3 SER 41 2HB SER 41 11.352 11.056 -4.632
296 HG SER 41 HG SER 41 12.388 12.595 -5.600
297 H GLY 42 H GLY 42 14.470 10.962 -6.645
298 HA2 GLY 42 1HA GLY 42 15.776 10.585 -8.498
299 HA3 GLY 42 2HA GLY 42 15.607 8.866 -8.175
300 HA PRO 43 HA PRO 43 13.491 9.680 -12.184
301 HB2 PRO 43 1HB PRO 43 14.372 7.397 -13.360
302 HB3 PRO 43 2HB PRO 43 15.316 8.891 -13.336
303 HG2 PRO 43 1HG PRO 43 15.546 6.477 -11.581
304 HG3 PRO 43 2HG PRO 43 16.831 7.438 -12.334
305 HD2 PRO 43 1HD PRO 43 16.132 7.725 -9.734
306 HD3 PRO 43 2HD PRO 43 16.725 9.078 -10.718
307 H SER 44 H SER 44 13.094 7.671 -9.607
308 HA SER 44 HA SER 44 11.726 5.458 -10.178
309 HB2 SER 44 1HB SER 44 11.064 7.623 -8.201
310 HB3 SER 44 2HB SER 44 10.055 6.182 -8.323
311 HG SER 44 HG SER 44 11.903 6.168 -6.780
312 H SER 45 H SER 45 10.441 5.070 -11.861
313 HA SER 45 HA SER 45 9.004 6.686 -13.442
314 HB2 SER 45 1HB SER 45 8.070 3.985 -12.440
315 HB3 SER 45 2HB SER 45 7.447 4.806 -13.871
316 HG SER 45 HG SER 45 10.199 4.258 -13.562
317 H GLY 46 H GLY 46 7.047 7.729 -13.491
318 HA2 GLY 46 1HA GLY 46 4.811 7.496 -12.018
319 HA3 GLY 46 2HA GLY 46 5.883 8.332 -10.905
Start of MODEL 15
1 H1 GLY 1 H GLY 1 15.615 -22.781 6.857
2 HA2 GLY 1 1HA GLY 1 14.075 -23.903 9.068
3 HA3 GLY 1 2HA GLY 1 13.982 -22.255 8.465
4 H SER 2 H SER 2 11.629 -23.168 8.931
5 HA SER 2 HA SER 2 10.592 -24.191 6.368
6 HB2 SER 2 1HB SER 2 10.294 -25.708 8.361
7 HB3 SER 2 2HB SER 2 9.255 -24.470 9.067
8 HG SER 2 HG SER 2 8.796 -26.169 6.906
9 H SER 3 H SER 3 11.092 -21.482 6.687
10 HA SER 3 HA SER 3 8.474 -20.275 7.226
11 HB2 SER 3 1HB SER 3 11.275 -19.221 7.120
12 HB3 SER 3 2HB SER 3 9.932 -18.117 6.822
13 HG SER 3 HG SER 3 9.094 -18.675 8.851
14 H GLY 4 H GLY 4 8.074 -18.280 5.708
15 HA2 GLY 4 1HA GLY 4 8.964 -18.404 3.024
16 HA3 GLY 4 2HA GLY 4 7.434 -19.255 3.177
17 H SER 5 H SER 5 6.228 -17.830 1.971
18 HA SER 5 HA SER 5 5.340 -15.468 3.347
19 HB2 SER 5 1HB SER 5 7.453 -14.815 2.012
20 HB3 SER 5 2HB SER 5 6.440 -15.006 0.582
21 HG SER 5 HG SER 5 5.234 -13.316 1.184
22 H SER 6 H SER 6 3.233 -15.224 2.989
23 HA SER 6 HA SER 6 1.994 -15.590 0.460
24 HB2 SER 6 1HB SER 6 2.438 -17.990 1.405
25 HB3 SER 6 2HB SER 6 1.068 -17.632 2.456
26 HG SER 6 HG SER 6 1.128 -18.181 -0.234
27 H GLY 7 H GLY 7 -0.314 -15.167 0.521
28 HA2 GLY 7 1HA GLY 7 -2.223 -14.708 2.095
29 HA3 GLY 7 2HA GLY 7 -1.079 -13.701 2.970
30 H THR 8 H THR 8 -3.493 -13.721 0.672
31 HA THR 8 HA THR 8 -2.599 -11.611 -1.023
32 HB THR 8 HB THR 8 -5.444 -12.483 -0.490
33 HG1 THR 8 HG1 THR 8 -3.575 -13.371 -2.454
34 HG21 THR 8 3HG2 THR 8 -4.549 -10.292 -1.882
35 HG22 THR 8 1HG2 THR 8 -6.096 -11.099 -2.132
36 HG23 THR 8 2HG2 THR 8 -4.714 -11.509 -3.147
37 H GLY 9 H GLY 9 -4.705 -11.756 1.831
38 HA2 GLY 9 1HA GLY 9 -4.531 -9.924 3.439
39 HA3 GLY 9 2HA GLY 9 -4.390 -8.829 2.072
40 H GLU 10 H GLU 10 -6.251 -8.504 4.156
41 HA GLU 10 HA GLU 10 -8.782 -9.008 2.731
42 HB2 GLU 10 1HB GLU 10 -8.075 -9.215 5.618
43 HB3 GLU 10 2HB GLU 10 -9.687 -8.648 5.206
44 HG2 GLU 10 1HG GLU 10 -10.108 -10.868 5.341
45 HG3 GLU 10 2HG GLU 10 -9.645 -10.778 3.643
46 H ARG 11 H ARG 11 -7.085 -6.754 2.306
47 HA ARG 11 HA ARG 11 -8.888 -4.624 3.233
48 HB2 ARG 11 1HB ARG 11 -5.892 -4.709 3.348
49 HB3 ARG 11 2HB ARG 11 -6.722 -3.169 3.173
50 HG2 ARG 11 1HG ARG 11 -7.624 -3.255 5.277
51 HG3 ARG 11 2HG ARG 11 -7.572 -5.018 5.344
52 HD2 ARG 11 1HD ARG 11 -5.222 -5.016 5.713
53 HD3 ARG 11 2HD ARG 11 -5.104 -3.295 5.347
54 HE ARG 11 HE ARG 11 -6.824 -3.532 7.503
55 HH11 ARG 11 1HH1 ARG 11 -3.496 -4.249 6.775
56 HH12 ARG 11 2HH1 ARG 11 -2.955 -4.020 8.405
57 HH21 ARG 11 1HH2 ARG 11 -6.124 -3.228 9.652
58 HH22 ARG 11 2HH2 ARG 11 -4.450 -3.440 10.041
59 HA PRO 12 HA PRO 12 -9.141 -3.564 -1.030
60 HB2 PRO 12 1HB PRO 12 -9.939 -0.981 -0.788
61 HB3 PRO 12 2HB PRO 12 -11.008 -2.350 -0.463
62 HG2 PRO 12 1HG PRO 12 -9.474 -0.646 1.462
63 HG3 PRO 12 2HG PRO 12 -11.141 -1.239 1.575
64 HD2 PRO 12 1HD PRO 12 -9.087 -2.404 2.900
65 HD3 PRO 12 2HD PRO 12 -10.483 -3.324 2.303
66 H TYR 13 H TYR 13 -7.643 -1.038 0.999
67 HA TYR 13 HA TYR 13 -5.976 -0.178 -1.212
68 HB2 TYR 13 1HB TYR 13 -5.816 0.803 1.634
69 HB3 TYR 13 2HB TYR 13 -5.326 1.641 0.166
70 HD1 TYR 13 HD1 TYR 13 -6.999 2.667 -1.299
71 HD2 TYR 13 HD2 TYR 13 -8.124 0.768 2.338
72 HE1 TYR 13 HE1 TYR 13 -9.198 3.763 -1.414
73 HE2 TYR 13 HE2 TYR 13 -10.326 1.858 2.233
74 HH TYR 13 HH TYR 13 -11.487 3.568 1.229
75 H ILE 14 H ILE 14 -3.947 -0.800 -1.571
76 HA ILE 14 HA ILE 14 -2.338 -1.883 0.609
77 HB ILE 14 HB ILE 14 -2.817 -3.400 -1.959
78 HG12 ILE 14 1HG1 ILE 14 -3.547 -5.170 -0.202
79 HG13 ILE 14 2HG1 ILE 14 -3.715 -3.794 0.883
80 HG21 ILE 14 1HG2 ILE 14 -1.081 -4.766 -1.475
81 HG22 ILE 14 2HG2 ILE 14 -0.481 -3.330 -0.648
82 HG23 ILE 14 3HG2 ILE 14 -1.293 -4.599 0.268
83 HD11 ILE 14 3HD1 ILE 14 -5.570 -4.771 -0.980
84 HD12 ILE 14 1HD1 ILE 14 -5.701 -3.336 0.036
85 HD13 ILE 14 2HD1 ILE 14 -5.019 -3.209 -1.585
86 H CYS 15 H CYS 15 -0.402 -0.971 0.548
87 HA CYS 15 HA CYS 15 0.459 0.735 -1.500
88 HB2 CYS 15 1HB CYS 15 1.359 1.089 0.664
89 HB3 CYS 15 2HB CYS 15 1.907 -0.579 0.793
90 H THR 16 H THR 16 2.235 0.535 -2.959
91 HA THR 16 HA THR 16 2.603 -2.223 -3.916
92 HB THR 16 HB THR 16 1.540 -0.677 -5.525
93 HG1 THR 16 HG1 THR 16 3.400 -0.979 -7.159
94 HG21 THR 16 3HG2 THR 16 2.553 1.252 -6.335
95 HG22 THR 16 1HG2 THR 16 4.154 0.767 -5.779
96 HG23 THR 16 2HG2 THR 16 2.944 1.310 -4.617
97 H VAL 17 H VAL 17 4.269 0.711 -2.978
98 HA VAL 17 HA VAL 17 6.837 0.204 -3.870
99 HB VAL 17 HB VAL 17 6.050 1.475 -1.244
100 HG11 VAL 17 1HG1 VAL 17 8.295 2.716 -1.802
101 HG12 VAL 17 2HG1 VAL 17 8.307 1.158 -0.974
102 HG13 VAL 17 3HG1 VAL 17 8.637 1.241 -2.705
103 HG21 VAL 17 3HG2 VAL 17 5.094 2.416 -3.425
104 HG22 VAL 17 1HG2 VAL 17 5.938 3.534 -2.353
105 HG23 VAL 17 2HG2 VAL 17 6.749 2.907 -3.788
106 H CYS 18 H CYS 18 5.290 -0.886 -0.866
107 HA CYS 18 HA CYS 18 7.505 -2.800 -0.519
108 HB2 CYS 18 1HB CYS 18 7.000 -2.758 1.897
109 HB3 CYS 18 2HB CYS 18 7.457 -1.169 1.292
110 H GLY 19 H GLY 19 4.015 -2.298 -0.191
111 HA2 GLY 19 1HA GLY 19 2.504 -3.992 -1.022
112 HA3 GLY 19 2HA GLY 19 3.671 -5.207 -0.521
113 H LYS 20 H LYS 20 2.249 -2.427 1.186
114 HA LYS 20 HA LYS 20 1.519 -4.259 3.364
115 HB2 LYS 20 1HB LYS 20 2.997 -2.412 3.994
116 HB3 LYS 20 2HB LYS 20 1.835 -1.252 3.365
117 HG2 LYS 20 1HG LYS 20 0.330 -1.634 5.098
118 HG3 LYS 20 2HG LYS 20 1.081 -3.170 5.537
119 HD2 LYS 20 1HD LYS 20 2.716 -0.689 5.723
120 HD3 LYS 20 2HD LYS 20 1.486 -0.977 6.956
121 HE2 LYS 20 1HE LYS 20 3.533 -1.894 7.758
122 HE3 LYS 20 2HE LYS 20 2.492 -3.243 7.305
123 HZ1 LYS 20 3HZ LYS 20 4.868 -3.405 6.568
124 HZ2 LYS 20 1HZ LYS 20 4.560 -2.132 5.496
125 HZ3 LYS 20 2HZ LYS 20 3.721 -3.592 5.339
126 H ALA 21 H ALA 21 -0.543 -4.208 4.288
127 HA ALA 21 HA ALA 21 -2.622 -3.175 2.496
128 HB1 ALA 21 3HB ALA 21 -3.849 -4.983 2.993
129 HB2 ALA 21 1HB ALA 21 -2.329 -5.650 3.590
130 HB3 ALA 21 2HB ALA 21 -3.462 -4.896 4.712
131 H PHE 22 H PHE 22 -4.281 -1.867 3.213
132 HA PHE 22 HA PHE 22 -4.217 -0.965 5.998
133 HB2 PHE 22 1HB PHE 22 -4.048 0.836 3.578
134 HB3 PHE 22 2HB PHE 22 -4.463 1.410 5.190
135 HD1 PHE 22 HD1 PHE 22 -2.797 1.433 6.969
136 HD2 PHE 22 HD2 PHE 22 -1.804 0.216 3.013
137 HE1 PHE 22 HE1 PHE 22 -0.406 1.678 7.497
138 HE2 PHE 22 HE2 PHE 22 0.588 0.458 3.535
139 HZ PHE 22 HZ PHE 22 1.290 1.189 5.779
140 H THR 23 H THR 23 -6.173 -0.033 6.739
141 HA THR 23 HA THR 23 -8.505 -1.076 5.389
142 HB THR 23 HB THR 23 -9.752 -0.241 7.362
143 HG1 THR 23 HG1 THR 23 -8.819 1.341 8.408
144 HG21 THR 23 3HG2 THR 23 -8.544 -2.476 7.288
145 HG22 THR 23 1HG2 THR 23 -8.936 -1.852 8.889
146 HG23 THR 23 2HG2 THR 23 -7.291 -1.718 8.270
147 H ASP 24 H ASP 24 -7.516 2.138 6.581
148 HA ASP 24 HA ASP 24 -9.528 3.377 4.864
149 HB2 ASP 24 1HB ASP 24 -9.122 4.021 7.322
150 HB3 ASP 24 2HB ASP 24 -7.674 4.835 6.736
151 H ARG 25 H ARG 25 -9.055 4.808 3.222
152 HA ARG 25 HA ARG 25 -6.778 4.356 1.691
153 HB2 ARG 25 1HB ARG 25 -8.765 5.259 0.680
154 HB3 ARG 25 2HB ARG 25 -8.693 6.690 1.699
155 HG2 ARG 25 1HG ARG 25 -7.950 7.280 -0.490
156 HG3 ARG 25 2HG ARG 25 -6.556 7.301 0.592
157 HD2 ARG 25 1HD ARG 25 -5.862 5.123 -0.211
158 HD3 ARG 25 2HD ARG 25 -7.299 5.014 -1.227
159 HE ARG 25 HE ARG 25 -5.596 7.294 -1.742
160 HH11 ARG 25 1HH1 ARG 25 -6.372 3.997 -2.548
161 HH12 ARG 25 2HH1 ARG 25 -5.644 4.073 -4.118
162 HH21 ARG 25 1HH2 ARG 25 -4.636 7.406 -3.808
163 HH22 ARG 25 2HH2 ARG 25 -4.656 6.012 -4.834
164 H SER 26 H SER 26 -7.547 7.252 3.630
165 HA SER 26 HA SER 26 -5.301 8.735 3.286
166 HB2 SER 26 1HB SER 26 -7.315 9.240 4.772
167 HB3 SER 26 2HB SER 26 -6.486 8.328 6.033
168 HG SER 26 HG SER 26 -5.107 9.914 6.285
169 H ASN 27 H ASN 27 -5.663 6.030 5.556
170 HA ASN 27 HA ASN 27 -3.181 6.158 6.788
171 HB2 ASN 27 1HB ASN 27 -4.995 3.834 6.163
172 HB3 ASN 27 2HB ASN 27 -3.486 3.621 7.047
173 HD21 ASN 27 1HD2 ASN 27 -4.967 2.826 8.709
174 HD22 ASN 27 2HD2 ASN 27 -5.687 3.966 9.789
175 H LEU 28 H LEU 28 -4.085 4.814 3.674
176 HA LEU 28 HA LEU 28 -1.587 3.518 3.192
177 HB2 LEU 28 1HB LEU 28 -3.499 2.710 2.038
178 HB3 LEU 28 2HB LEU 28 -3.873 4.312 1.405
179 HG LEU 28 HG LEU 28 -1.787 4.173 0.035
180 HD11 LEU 28 1HD1 LEU 28 -0.323 2.637 0.768
181 HD12 LEU 28 2HD1 LEU 28 -1.267 1.530 -0.228
182 HD13 LEU 28 3HD1 LEU 28 -1.577 1.639 1.504
183 HD21 LEU 28 3HD2 LEU 28 -2.901 3.193 -1.686
184 HD22 LEU 28 1HD2 LEU 28 -4.246 3.351 -0.556
185 HD23 LEU 28 2HD2 LEU 28 -3.407 1.808 -0.718
186 H ILE 29 H ILE 29 -2.950 6.671 2.420
187 HA ILE 29 HA ILE 29 -0.829 7.485 0.700
188 HB ILE 29 HB ILE 29 -2.714 9.269 2.240
189 HG12 ILE 29 1HG1 ILE 29 -3.056 8.015 -0.493
190 HG13 ILE 29 2HG1 ILE 29 -3.969 7.597 0.953
191 HG21 ILE 29 1HG2 ILE 29 -2.278 10.877 0.474
192 HG22 ILE 29 2HG2 ILE 29 -0.769 10.386 1.241
193 HG23 ILE 29 3HG2 ILE 29 -1.211 9.728 -0.334
194 HD11 ILE 29 3HD1 ILE 29 -4.956 9.802 1.001
195 HD12 ILE 29 1HD1 ILE 29 -3.989 10.288 -0.391
196 HD13 ILE 29 2HD1 ILE 29 -5.226 9.043 -0.568
197 H LYS 30 H LYS 30 -1.540 7.956 4.133
198 HA LYS 30 HA LYS 30 0.667 9.674 4.641
199 HB2 LYS 30 1HB LYS 30 -0.001 9.644 6.849
200 HB3 LYS 30 2HB LYS 30 -1.502 9.215 6.040
201 HG2 LYS 30 1HG LYS 30 -1.064 6.848 6.496
202 HG3 LYS 30 2HG LYS 30 0.426 7.294 7.330
203 HD2 LYS 30 1HD LYS 30 -1.622 6.867 8.781
204 HD3 LYS 30 2HD LYS 30 -0.744 8.371 9.066
205 HE2 LYS 30 1HE LYS 30 -3.050 8.314 7.163
206 HE3 LYS 30 2HE LYS 30 -3.342 8.395 8.899
207 HZ1 LYS 30 3HZ LYS 30 -2.478 10.446 7.115
208 HZ2 LYS 30 1HZ LYS 30 -1.424 10.288 8.430
209 HZ3 LYS 30 2HZ LYS 30 -3.070 10.575 8.695
210 H HIS 31 H HIS 31 0.415 6.327 4.117
211 HA HIS 31 HA HIS 31 2.767 5.617 5.652
212 HB2 HIS 31 1HB HIS 31 1.322 3.821 5.630
213 HB3 HIS 31 2HB HIS 31 0.778 4.140 3.986
214 HD1 HIS 31 HD1 HIS 31 3.335 2.286 5.935
215 HD2 HIS 31 HD2 HIS 31 2.440 3.071 1.955
216 HE1 HIS 31 HE1 HIS 31 4.723 0.667 4.602
217 H GLN 32 H GLN 32 1.862 5.858 2.225
218 HA GLN 32 HA GLN 32 4.123 5.009 0.975
219 HB2 GLN 32 1HB GLN 32 2.326 7.336 0.318
220 HB3 GLN 32 2HB GLN 32 3.635 6.837 -0.745
221 HG2 GLN 32 1HG GLN 32 1.653 4.807 0.150
222 HG3 GLN 32 2HG GLN 32 1.198 5.962 -1.101
223 HE21 GLN 32 1HE2 GLN 32 1.102 3.520 -1.936
224 HE22 GLN 32 2HE2 GLN 32 2.468 3.077 -2.895
225 H LYS 33 H LYS 33 3.760 7.848 2.922
226 HA LYS 33 HA LYS 33 5.844 9.446 2.046
227 HB2 LYS 33 1HB LYS 33 4.516 9.019 4.683
228 HB3 LYS 33 2HB LYS 33 6.001 9.961 4.644
229 HG2 LYS 33 1HG LYS 33 4.124 11.444 4.519
230 HG3 LYS 33 2HG LYS 33 4.965 11.452 2.967
231 HD2 LYS 33 1HD LYS 33 3.284 9.741 2.184
232 HD3 LYS 33 2HD LYS 33 2.384 10.064 3.668
233 HE2 LYS 33 1HE LYS 33 1.366 11.477 2.141
234 HE3 LYS 33 2HE LYS 33 2.532 12.540 2.928
235 HZ1 LYS 33 3HZ LYS 33 2.302 12.336 0.298
236 HZ2 LYS 33 1HZ LYS 33 3.464 11.134 0.559
237 HZ3 LYS 33 2HZ LYS 33 3.760 12.721 1.063
238 H ILE 34 H ILE 34 5.931 6.672 4.239
239 HA ILE 34 HA ILE 34 8.526 6.800 5.146
240 HB ILE 34 HB ILE 34 8.430 4.486 5.598
241 HG12 ILE 34 1HG1 ILE 34 6.237 4.237 3.528
242 HG13 ILE 34 2HG1 ILE 34 7.918 3.785 3.264
243 HG21 ILE 34 1HG2 ILE 34 6.174 6.154 6.067
244 HG22 ILE 34 2HG2 ILE 34 5.609 4.503 5.820
245 HG23 ILE 34 3HG2 ILE 34 6.808 4.848 7.067
246 HD11 ILE 34 3HD1 ILE 34 7.680 2.177 5.168
247 HD12 ILE 34 1HD1 ILE 34 5.952 2.528 5.153
248 HD13 ILE 34 2HD1 ILE 34 6.718 1.804 3.738
249 H HIS 35 H HIS 35 7.388 6.070 1.959
250 HA HIS 35 HA HIS 35 10.000 5.071 1.116
251 HB2 HIS 35 1HB HIS 35 7.499 5.426 -0.545
252 HB3 HIS 35 2HB HIS 35 8.938 4.508 -0.979
253 HD1 HIS 35 HD1 HIS 35 9.408 2.638 1.222
254 HD2 HIS 35 HD2 HIS 35 5.553 3.674 0.073
255 HE1 HIS 35 HE1 HIS 35 7.937 0.774 2.049
256 H THR 36 H THR 36 8.081 7.933 1.055
257 HA THR 36 HA THR 36 9.365 9.196 -1.159
258 HB THR 36 HB THR 36 8.256 11.231 -0.451
259 HG1 THR 36 HG1 THR 36 7.505 11.507 1.551
260 HG21 THR 36 3HG2 THR 36 6.331 8.987 0.115
261 HG22 THR 36 1HG2 THR 36 6.949 9.315 -1.504
262 HG23 THR 36 2HG2 THR 36 6.006 10.540 -0.655
263 H GLY 37 H GLY 37 11.119 10.509 -1.225
264 HA2 GLY 37 1HA GLY 37 13.186 11.285 -0.564
265 HA3 GLY 37 2HA GLY 37 12.273 12.006 0.753
266 H GLU 38 H GLU 38 13.666 8.869 -0.206
267 HA GLU 38 HA GLU 38 14.070 8.201 2.604
268 HB2 GLU 38 1HB GLU 38 13.204 6.605 0.726
269 HB3 GLU 38 2HB GLU 38 14.907 6.449 0.321
270 HG2 GLU 38 1HG GLU 38 13.740 5.885 3.036
271 HG3 GLU 38 2HG GLU 38 14.065 4.664 1.807
272 H LYS 39 H LYS 39 15.729 9.595 3.201
273 HA LYS 39 HA LYS 39 18.027 10.266 1.905
274 HB2 LYS 39 1HB LYS 39 17.238 10.967 4.231
275 HB3 LYS 39 2HB LYS 39 18.032 9.514 4.824
276 HG2 LYS 39 1HG LYS 39 19.549 11.295 5.135
277 HG3 LYS 39 2HG LYS 39 20.146 10.360 3.761
278 HD2 LYS 39 1HD LYS 39 20.332 12.470 2.901
279 HD3 LYS 39 2HD LYS 39 18.681 12.095 2.404
280 HE2 LYS 39 1HE LYS 39 19.102 13.348 5.068
281 HE3 LYS 39 2HE LYS 39 19.289 14.357 3.635
282 HZ1 LYS 39 3HZ LYS 39 16.881 12.892 4.532
283 HZ2 LYS 39 1HZ LYS 39 17.037 13.477 2.953
284 HZ3 LYS 39 2HZ LYS 39 17.056 14.552 4.258
285 HA PRO 40 HA PRO 40 20.234 6.501 1.233
286 HB2 PRO 40 1HB PRO 40 22.659 7.586 0.673
287 HB3 PRO 40 2HB PRO 40 21.306 7.620 -0.464
288 HG2 PRO 40 1HG PRO 40 22.280 9.762 1.388
289 HG3 PRO 40 2HG PRO 40 21.758 9.896 -0.302
290 HD2 PRO 40 1HD PRO 40 20.154 10.563 1.776
291 HD3 PRO 40 2HD PRO 40 19.522 9.894 0.258
292 H SER 41 H SER 41 20.528 5.334 3.057
293 HA SER 41 HA SER 41 22.043 6.333 5.290
294 HB2 SER 41 1HB SER 41 20.643 3.740 4.684
295 HB3 SER 41 2HB SER 41 21.699 3.889 6.089
296 HG SER 41 HG SER 41 19.202 4.563 5.974
297 H GLY 42 H GLY 42 22.445 3.493 3.159
298 HA2 GLY 42 1HA GLY 42 25.273 3.976 2.919
299 HA3 GLY 42 2HA GLY 42 24.894 2.606 3.951
300 HA PRO 43 HA PRO 43 23.431 1.623 -0.588
301 HB2 PRO 43 1HB PRO 43 24.721 3.048 -2.505
302 HB3 PRO 43 2HB PRO 43 23.187 3.563 -1.795
303 HG2 PRO 43 1HG PRO 43 25.969 4.466 -1.155
304 HG3 PRO 43 2HG PRO 43 24.494 5.432 -1.339
305 HD2 PRO 43 1HD PRO 43 25.495 4.746 1.082
306 HD3 PRO 43 2HD PRO 43 23.754 4.936 0.788
307 H SER 44 H SER 44 26.399 1.909 0.865
308 HA SER 44 HA SER 44 28.362 1.072 -0.786
309 HB2 SER 44 1HB SER 44 28.735 1.383 1.601
310 HB3 SER 44 2HB SER 44 27.764 -0.043 1.966
311 HG SER 44 HG SER 44 30.197 -0.211 1.836
312 H SER 45 H SER 45 28.227 -0.333 -2.408
313 HA SER 45 HA SER 45 26.707 -2.811 -2.051
314 HB2 SER 45 1HB SER 45 26.682 -3.002 -4.435
315 HB3 SER 45 2HB SER 45 26.331 -1.314 -4.062
316 HG SER 45 HG SER 45 28.703 -2.452 -5.073
317 H GLY 46 H GLY 46 27.603 -4.852 -2.611
318 HA2 GLY 46 1HA GLY 46 30.370 -5.104 -1.829
319 HA3 GLY 46 2HA GLY 46 29.260 -6.419 -2.186
Start of MODEL 16
1 H1 GLY 1 H GLY 1 6.930 -12.476 9.366
2 HA2 GLY 1 1HA GLY 1 6.315 -10.720 10.732
3 HA3 GLY 1 2HA GLY 1 6.182 -9.865 9.203
4 H SER 2 H SER 2 4.040 -10.393 8.007
5 HA SER 2 HA SER 2 1.869 -10.200 9.990
6 HB2 SER 2 1HB SER 2 2.316 -8.831 7.357
7 HB3 SER 2 2HB SER 2 0.675 -9.049 7.965
8 HG SER 2 HG SER 2 1.836 -8.127 10.007
9 H SER 3 H SER 3 0.050 -11.427 9.748
10 HA SER 3 HA SER 3 0.284 -13.724 7.999
11 HB2 SER 3 1HB SER 3 -0.513 -13.734 10.460
12 HB3 SER 3 2HB SER 3 -2.052 -13.166 9.814
13 HG SER 3 HG SER 3 -0.723 -15.609 9.326
14 H GLY 4 H GLY 4 -1.806 -14.496 6.913
15 HA2 GLY 4 1HA GLY 4 -3.600 -14.129 5.494
16 HA3 GLY 4 2HA GLY 4 -3.612 -12.445 5.999
17 H SER 5 H SER 5 -0.977 -14.321 4.549
18 HA SER 5 HA SER 5 -0.152 -12.294 2.822
19 HB2 SER 5 1HB SER 5 1.249 -13.932 1.776
20 HB3 SER 5 2HB SER 5 1.161 -14.349 3.487
21 HG SER 5 HG SER 5 -0.360 -15.939 2.971
22 H SER 6 H SER 6 -2.302 -15.050 2.233
23 HA SER 6 HA SER 6 -3.482 -13.603 -0.007
24 HB2 SER 6 1HB SER 6 -2.378 -16.411 -0.261
25 HB3 SER 6 2HB SER 6 -3.366 -15.599 -1.475
26 HG SER 6 HG SER 6 -0.755 -14.949 -0.606
27 H GLY 7 H GLY 7 -5.594 -14.296 -0.554
28 HA2 GLY 7 1HA GLY 7 -6.975 -16.487 0.371
29 HA3 GLY 7 2HA GLY 7 -7.077 -15.310 1.672
30 H THR 8 H THR 8 -8.260 -13.408 1.372
31 HA THR 8 HA THR 8 -9.873 -13.283 -1.087
32 HB THR 8 HB THR 8 -11.266 -14.269 0.664
33 HG1 THR 8 HG1 THR 8 -12.874 -13.087 -0.043
34 HG21 THR 8 3HG2 THR 8 -10.040 -13.250 2.584
35 HG22 THR 8 1HG2 THR 8 -11.794 -13.107 2.704
36 HG23 THR 8 2HG2 THR 8 -10.827 -11.716 2.213
37 H GLY 9 H GLY 9 -8.693 -11.556 1.775
38 HA2 GLY 9 1HA GLY 9 -7.518 -9.429 1.252
39 HA3 GLY 9 2HA GLY 9 -8.886 -9.053 0.215
40 H GLU 10 H GLU 10 -7.567 -8.760 3.311
41 HA GLU 10 HA GLU 10 -10.085 -8.293 4.664
42 HB2 GLU 10 1HB GLU 10 -7.243 -7.879 5.610
43 HB3 GLU 10 2HB GLU 10 -8.679 -7.765 6.617
44 HG2 GLU 10 1HG GLU 10 -9.143 -10.098 6.324
45 HG3 GLU 10 2HG GLU 10 -7.835 -10.253 5.152
46 H ARG 11 H ARG 11 -7.612 -6.458 3.065
47 HA ARG 11 HA ARG 11 -9.099 -3.995 3.682
48 HB2 ARG 11 1HB ARG 11 -6.117 -4.423 3.664
49 HB3 ARG 11 2HB ARG 11 -6.833 -2.825 3.499
50 HG2 ARG 11 1HG ARG 11 -7.600 -2.794 5.666
51 HG3 ARG 11 2HG ARG 11 -7.628 -4.554 5.793
52 HD2 ARG 11 1HD ARG 11 -5.004 -3.224 5.376
53 HD3 ARG 11 2HD ARG 11 -5.757 -3.086 6.964
54 HE ARG 11 HE ARG 11 -4.541 -5.414 5.832
55 HH11 ARG 11 1HH1 ARG 11 -6.983 -4.293 8.045
56 HH12 ARG 11 2HH1 ARG 11 -6.962 -5.736 9.004
57 HH21 ARG 11 1HH2 ARG 11 -4.503 -7.318 7.086
58 HH22 ARG 11 2HH2 ARG 11 -5.550 -7.455 8.458
59 HA PRO 12 HA PRO 12 -9.343 -3.629 -0.711
60 HB2 PRO 12 1HB PRO 12 -10.106 -1.027 -0.827
61 HB3 PRO 12 2HB PRO 12 -11.199 -2.327 -0.338
62 HG2 PRO 12 1HG PRO 12 -9.666 -0.400 1.365
63 HG3 PRO 12 2HG PRO 12 -11.343 -0.952 1.532
64 HD2 PRO 12 1HD PRO 12 -9.323 -1.956 3.030
65 HD3 PRO 12 2HD PRO 12 -10.724 -2.930 2.541
66 H TYR 13 H TYR 13 -7.691 -1.054 1.104
67 HA TYR 13 HA TYR 13 -6.106 -0.310 -1.200
68 HB2 TYR 13 1HB TYR 13 -5.759 0.641 1.645
69 HB3 TYR 13 2HB TYR 13 -5.214 1.435 0.172
70 HD1 TYR 13 HD1 TYR 13 -6.782 2.653 -1.241
71 HD2 TYR 13 HD2 TYR 13 -8.074 0.774 2.351
72 HE1 TYR 13 HE1 TYR 13 -8.873 3.945 -1.325
73 HE2 TYR 13 HE2 TYR 13 -10.169 2.060 2.277
74 HH TYR 13 HH TYR 13 -10.949 4.147 -0.458
75 H ILE 14 H ILE 14 -3.922 -0.639 -1.474
76 HA ILE 14 HA ILE 14 -2.420 -2.107 0.535
77 HB ILE 14 HB ILE 14 -2.956 -3.237 -2.211
78 HG12 ILE 14 1HG1 ILE 14 -3.455 -5.272 -0.614
79 HG13 ILE 14 2HG1 ILE 14 -3.680 -4.007 0.590
80 HG21 ILE 14 1HG2 ILE 14 -1.383 -5.012 -0.700
81 HG22 ILE 14 2HG2 ILE 14 -0.935 -4.151 -2.171
82 HG23 ILE 14 3HG2 ILE 14 -0.605 -3.434 -0.594
83 HD11 ILE 14 3HD1 ILE 14 -5.400 -4.834 -1.604
84 HD12 ILE 14 1HD1 ILE 14 -5.787 -3.964 -0.120
85 HD13 ILE 14 2HD1 ILE 14 -5.161 -3.089 -1.518
86 H CYS 15 H CYS 15 -0.587 -1.012 0.702
87 HA CYS 15 HA CYS 15 0.385 0.890 -1.046
88 HB2 CYS 15 1HB CYS 15 1.098 0.431 1.360
89 HB3 CYS 15 2HB CYS 15 2.172 -0.799 0.701
90 H THR 16 H THR 16 0.905 0.621 -3.111
91 HA THR 16 HA THR 16 1.956 -1.903 -4.074
92 HB THR 16 HB THR 16 0.277 -0.705 -5.413
93 HG1 THR 16 HG1 THR 16 1.548 -1.971 -6.672
94 HG21 THR 16 3HG2 THR 16 0.416 1.521 -5.530
95 HG22 THR 16 1HG2 THR 16 1.725 1.297 -6.691
96 HG23 THR 16 2HG2 THR 16 2.091 1.512 -4.979
97 H VAL 17 H VAL 17 3.651 -0.482 -2.264
98 HA VAL 17 HA VAL 17 5.924 0.084 -4.052
99 HB VAL 17 HB VAL 17 5.295 1.454 -1.433
100 HG11 VAL 17 1HG1 VAL 17 7.318 2.847 -2.075
101 HG12 VAL 17 2HG1 VAL 17 7.640 1.212 -1.495
102 HG13 VAL 17 3HG1 VAL 17 7.709 1.566 -3.222
103 HG21 VAL 17 3HG2 VAL 17 5.321 3.494 -2.946
104 HG22 VAL 17 1HG2 VAL 17 5.241 2.365 -4.298
105 HG23 VAL 17 2HG2 VAL 17 3.939 2.411 -3.110
106 H CYS 18 H CYS 18 4.956 -0.950 -0.795
107 HA CYS 18 HA CYS 18 7.450 -2.511 -0.633
108 HB2 CYS 18 1HB CYS 18 7.208 -2.410 1.809
109 HB3 CYS 18 2HB CYS 18 7.281 -0.796 1.109
110 H GLY 19 H GLY 19 3.965 -2.553 -0.075
111 HA2 GLY 19 1HA GLY 19 2.831 -4.625 -0.804
112 HA3 GLY 19 2HA GLY 19 4.114 -5.504 0.016
113 H LYS 20 H LYS 20 2.459 -2.643 1.238
114 HA LYS 20 HA LYS 20 1.534 -4.251 3.515
115 HB2 LYS 20 1HB LYS 20 3.032 -2.258 3.908
116 HB3 LYS 20 2HB LYS 20 1.714 -1.241 3.340
117 HG2 LYS 20 1HG LYS 20 0.414 -1.655 5.197
118 HG3 LYS 20 2HG LYS 20 1.240 -3.170 5.567
119 HD2 LYS 20 1HD LYS 20 3.148 -2.028 6.396
120 HD3 LYS 20 2HD LYS 20 2.585 -0.483 5.755
121 HE2 LYS 20 1HE LYS 20 2.203 -0.504 8.120
122 HE3 LYS 20 2HE LYS 20 0.644 -0.621 7.306
123 HZ1 LYS 20 3HZ LYS 20 1.071 -2.165 9.262
124 HZ2 LYS 20 1HZ LYS 20 2.087 -3.031 8.222
125 HZ3 LYS 20 2HZ LYS 20 0.445 -2.862 7.854
126 H ALA 21 H ALA 21 -0.586 -3.926 4.361
127 HA ALA 21 HA ALA 21 -2.501 -2.958 2.340
128 HB1 ALA 21 3HB ALA 21 -2.308 -5.477 3.567
129 HB2 ALA 21 1HB ALA 21 -3.727 -4.693 4.263
130 HB3 ALA 21 2HB ALA 21 -3.592 -4.882 2.514
131 H PHE 22 H PHE 22 -4.124 -1.591 2.946
132 HA PHE 22 HA PHE 22 -4.317 -0.851 5.779
133 HB2 PHE 22 1HB PHE 22 -3.984 1.060 3.461
134 HB3 PHE 22 2HB PHE 22 -4.484 1.554 5.075
135 HD1 PHE 22 HD2 PHE 22 -1.715 0.308 3.031
136 HD2 PHE 22 HD1 PHE 22 -2.919 1.615 6.899
137 HE1 PHE 22 HE2 PHE 22 0.645 0.504 3.696
138 HE2 PHE 22 HE1 PHE 22 -0.560 1.814 7.570
139 HZ PHE 22 HZ PHE 22 1.226 1.257 5.968
140 H THR 23 H THR 23 -6.342 -0.371 6.490
141 HA THR 23 HA THR 23 -8.545 -1.208 4.895
142 HB THR 23 HB THR 23 -8.535 -1.517 7.330
143 HG1 THR 23 HG1 THR 23 -10.606 -1.519 6.845
144 HG21 THR 23 3HG2 THR 23 -8.850 1.483 7.483
145 HG22 THR 23 1HG2 THR 23 -7.390 0.595 7.914
146 HG23 THR 23 2HG2 THR 23 -8.872 0.356 8.839
147 H ASP 24 H ASP 24 -7.412 1.948 6.044
148 HA ASP 24 HA ASP 24 -9.441 3.254 4.370
149 HB2 ASP 24 1HB ASP 24 -9.109 3.833 6.860
150 HB3 ASP 24 2HB ASP 24 -7.644 4.658 6.334
151 H ARG 25 H ARG 25 -8.814 5.069 3.043
152 HA ARG 25 HA ARG 25 -6.461 4.527 1.527
153 HB2 ARG 25 1HB ARG 25 -8.527 5.399 0.506
154 HB3 ARG 25 2HB ARG 25 -8.331 6.899 1.404
155 HG2 ARG 25 1HG ARG 25 -6.074 7.100 0.223
156 HG3 ARG 25 2HG ARG 25 -6.675 5.840 -0.857
157 HD2 ARG 25 1HD ARG 25 -8.620 7.246 -1.385
158 HD3 ARG 25 2HD ARG 25 -7.981 8.508 -0.332
159 HE ARG 25 HE ARG 25 -5.953 8.159 -2.032
160 HH11 ARG 25 1HH1 ARG 25 -9.371 8.522 -2.583
161 HH12 ARG 25 2HH1 ARG 25 -9.174 9.277 -4.130
162 HH21 ARG 25 1HH2 ARG 25 -5.680 9.153 -4.067
163 HH22 ARG 25 2HH2 ARG 25 -7.074 9.635 -4.973
164 H SER 26 H SER 26 -7.426 7.129 3.736
165 HA SER 26 HA SER 26 -5.225 8.790 3.466
166 HB2 SER 26 1HB SER 26 -6.719 8.235 6.039
167 HB3 SER 26 2HB SER 26 -5.792 9.684 5.651
168 HG SER 26 HG SER 26 -7.489 10.435 4.687
169 H ASN 27 H ASN 27 -5.654 5.986 5.591
170 HA ASN 27 HA ASN 27 -3.209 6.191 6.954
171 HB2 ASN 27 1HB ASN 27 -5.059 3.884 6.388
172 HB3 ASN 27 2HB ASN 27 -3.555 3.653 7.274
173 HD21 ASN 27 1HD2 ASN 27 -5.215 2.925 8.877
174 HD22 ASN 27 2HD2 ASN 27 -5.839 4.118 9.960
175 H LEU 28 H LEU 28 -4.004 5.005 3.793
176 HA LEU 28 HA LEU 28 -1.514 3.588 3.438
177 HB2 LEU 28 1HB LEU 28 -3.478 2.772 2.311
178 HB3 LEU 28 2HB LEU 28 -3.716 4.329 1.520
179 HG LEU 28 HG LEU 28 -1.590 3.954 0.279
180 HD11 LEU 28 1HD1 LEU 28 -1.643 1.069 0.833
181 HD12 LEU 28 2HD1 LEU 28 -1.045 2.079 2.149
182 HD13 LEU 28 3HD1 LEU 28 -0.278 2.153 0.563
183 HD21 LEU 28 3HD2 LEU 28 -2.720 2.955 -1.389
184 HD22 LEU 28 1HD2 LEU 28 -4.088 3.079 -0.284
185 HD23 LEU 28 2HD2 LEU 28 -3.178 1.572 -0.394
186 H ILE 29 H ILE 29 -2.871 6.713 2.589
187 HA ILE 29 HA ILE 29 -0.745 7.481 0.845
188 HB ILE 29 HB ILE 29 -2.709 9.250 2.307
189 HG12 ILE 29 1HG1 ILE 29 -2.875 8.211 -0.526
190 HG13 ILE 29 2HG1 ILE 29 -3.717 7.468 0.830
191 HG21 ILE 29 1HG2 ILE 29 -0.647 10.340 1.390
192 HG22 ILE 29 2HG2 ILE 29 -1.167 9.826 -0.214
193 HG23 ILE 29 3HG2 ILE 29 -2.164 10.941 0.720
194 HD11 ILE 29 3HD1 ILE 29 -5.241 8.879 -0.338
195 HD12 ILE 29 1HD1 ILE 29 -4.872 9.631 1.214
196 HD13 ILE 29 2HD1 ILE 29 -4.121 10.239 -0.262
197 H LYS 30 H LYS 30 -1.382 7.805 4.278
198 HA LYS 30 HA LYS 30 0.759 9.646 4.766
199 HB2 LYS 30 1HB LYS 30 0.094 9.618 6.973
200 HB3 LYS 30 2HB LYS 30 -1.399 9.141 6.175
201 HG2 LYS 30 1HG LYS 30 -0.706 6.747 6.591
202 HG3 LYS 30 2HG LYS 30 0.558 7.396 7.638
203 HD2 LYS 30 1HD LYS 30 -2.312 8.190 8.000
204 HD3 LYS 30 2HD LYS 30 -1.686 6.695 8.700
205 HE2 LYS 30 1HE LYS 30 -0.325 7.799 10.180
206 HE3 LYS 30 2HE LYS 30 -0.172 9.219 9.146
207 HZ1 LYS 30 3HZ LYS 30 -1.604 10.104 10.605
208 HZ2 LYS 30 1HZ LYS 30 -2.157 8.604 11.159
209 HZ3 LYS 30 2HZ LYS 30 -2.782 9.261 9.732
210 H HIS 31 H HIS 31 0.419 6.189 4.632
211 HA HIS 31 HA HIS 31 2.854 5.593 6.019
212 HB2 HIS 31 1HB HIS 31 1.411 3.794 6.103
213 HB3 HIS 31 2HB HIS 31 0.849 4.030 4.451
214 HD1 HIS 31 HD1 HIS 31 3.659 2.499 6.416
215 HD2 HIS 31 HD2 HIS 31 2.273 2.661 2.503
216 HE1 HIS 31 HE1 HIS 31 4.987 0.771 5.160
217 H GLN 32 H GLN 32 1.882 5.706 2.607
218 HA GLN 32 HA GLN 32 4.193 4.828 1.402
219 HB2 GLN 32 1HB GLN 32 2.132 6.849 0.588
220 HB3 GLN 32 2HB GLN 32 3.537 6.564 -0.430
221 HG2 GLN 32 1HG GLN 32 2.831 4.061 -0.195
222 HG3 GLN 32 2HG GLN 32 1.263 4.754 0.214
223 HE21 GLN 32 1HE2 GLN 32 2.305 3.207 -2.140
224 HE22 GLN 32 2HE2 GLN 32 1.842 4.146 -3.513
225 H LYS 33 H LYS 33 3.641 7.789 3.098
226 HA LYS 33 HA LYS 33 5.490 9.528 2.081
227 HB2 LYS 33 1HB LYS 33 4.785 8.984 4.966
228 HB3 LYS 33 2HB LYS 33 5.773 10.346 4.454
229 HG2 LYS 33 1HG LYS 33 3.017 9.879 3.364
230 HG3 LYS 33 2HG LYS 33 3.305 10.783 4.852
231 HD2 LYS 33 1HD LYS 33 4.846 12.267 3.547
232 HD3 LYS 33 2HD LYS 33 4.309 11.437 2.085
233 HE2 LYS 33 1HE LYS 33 3.057 13.482 2.360
234 HE3 LYS 33 2HE LYS 33 1.988 12.100 2.600
235 HZ1 LYS 33 3HZ LYS 33 2.297 12.395 5.015
236 HZ2 LYS 33 1HZ LYS 33 1.558 13.728 4.280
237 HZ3 LYS 33 2HZ LYS 33 3.190 13.800 4.716
238 H ILE 34 H ILE 34 6.072 6.646 3.975
239 HA ILE 34 HA ILE 34 8.757 7.130 4.665
240 HB ILE 34 HB ILE 34 8.943 4.792 5.138
241 HG12 ILE 34 1HG1 ILE 34 6.446 4.480 3.461
242 HG13 ILE 34 2HG1 ILE 34 8.051 3.857 3.091
243 HG21 ILE 34 1HG2 ILE 34 6.782 4.409 6.421
244 HG22 ILE 34 2HG2 ILE 34 7.673 5.885 6.786
245 HG23 ILE 34 3HG2 ILE 34 6.243 5.952 5.757
246 HD11 ILE 34 3HD1 ILE 34 6.047 2.884 5.065
247 HD12 ILE 34 1HD1 ILE 34 6.991 1.986 3.876
248 HD13 ILE 34 2HD1 ILE 34 7.763 2.586 5.345
249 H HIS 35 H HIS 35 7.260 5.841 1.766
250 HA HIS 35 HA HIS 35 9.823 5.142 0.593
251 HB2 HIS 35 1HB HIS 35 7.137 5.126 -0.781
252 HB3 HIS 35 2HB HIS 35 8.584 4.224 -1.223
253 HD1 HIS 35 HD1 HIS 35 9.351 2.561 0.971
254 HD2 HIS 35 HD2 HIS 35 5.346 3.510 0.409
255 HE1 HIS 35 HE1 HIS 35 8.061 0.790 2.206
256 H THR 36 H THR 36 7.527 7.740 0.539
257 HA THR 36 HA THR 36 8.220 8.954 -1.895
258 HB THR 36 HB THR 36 7.257 11.007 -0.988
259 HG1 THR 36 HG1 THR 36 7.787 11.217 1.086
260 HG21 THR 36 3HG2 THR 36 5.558 8.797 0.113
261 HG22 THR 36 1HG2 THR 36 5.857 8.916 -1.621
262 HG23 THR 36 2HG2 THR 36 5.070 10.244 -0.769
263 H GLY 37 H GLY 37 10.255 9.439 -2.439
264 HA2 GLY 37 1HA GLY 37 11.754 11.487 -1.806
265 HA3 GLY 37 2HA GLY 37 12.074 10.491 -0.394
266 H GLU 38 H GLU 38 14.312 10.568 -1.067
267 HA GLU 38 HA GLU 38 14.888 8.507 -3.081
268 HB2 GLU 38 1HB GLU 38 15.997 11.276 -2.891
269 HB3 GLU 38 2HB GLU 38 17.039 9.984 -3.470
270 HG2 GLU 38 1HG GLU 38 15.439 9.476 -5.238
271 HG3 GLU 38 2HG GLU 38 14.385 10.763 -4.656
272 H LYS 39 H LYS 39 15.996 6.894 -2.218
273 HA LYS 39 HA LYS 39 17.471 7.351 0.273
274 HB2 LYS 39 1HB LYS 39 16.393 4.867 -1.051
275 HB3 LYS 39 2HB LYS 39 17.519 4.792 0.298
276 HG2 LYS 39 1HG LYS 39 14.966 6.345 0.492
277 HG3 LYS 39 2HG LYS 39 15.015 4.606 0.793
278 HD2 LYS 39 1HD LYS 39 17.001 5.240 2.375
279 HD3 LYS 39 2HD LYS 39 16.258 6.840 2.338
280 HE2 LYS 39 1HE LYS 39 14.298 6.087 3.341
281 HE3 LYS 39 2HE LYS 39 14.613 4.405 2.916
282 HZ1 LYS 39 3HZ LYS 39 15.083 4.489 5.164
283 HZ2 LYS 39 1HZ LYS 39 15.803 6.018 5.078
284 HZ3 LYS 39 2HZ LYS 39 16.618 4.664 4.475
285 HA PRO 40 HA PRO 40 21.379 7.045 -1.730
286 HB2 PRO 40 1HB PRO 40 22.885 6.233 0.379
287 HB3 PRO 40 2HB PRO 40 22.273 7.883 0.214
288 HG2 PRO 40 1HG PRO 40 21.192 5.616 1.843
289 HG3 PRO 40 2HG PRO 40 21.376 7.323 2.286
290 HD2 PRO 40 1HD PRO 40 19.005 6.265 1.519
291 HD3 PRO 40 2HD PRO 40 19.455 7.948 1.177
292 H SER 41 H SER 41 21.106 5.340 -3.178
293 HA SER 41 HA SER 41 22.583 2.991 -2.654
294 HB2 SER 41 1HB SER 41 20.538 2.403 -1.375
295 HB3 SER 41 2HB SER 41 19.588 2.588 -2.849
296 HG SER 41 HG SER 41 20.892 0.913 -3.766
297 H GLY 42 H GLY 42 23.346 2.257 -4.539
298 HA2 GLY 42 1HA GLY 42 21.848 2.045 -6.923
299 HA3 GLY 42 2HA GLY 42 22.796 3.525 -6.966
300 HA PRO 43 HA PRO 43 26.136 1.175 -8.585
301 HB2 PRO 43 1HB PRO 43 28.189 2.832 -7.944
302 HB3 PRO 43 2HB PRO 43 27.039 3.184 -9.239
303 HG2 PRO 43 1HG PRO 43 27.105 4.218 -6.431
304 HG3 PRO 43 2HG PRO 43 26.783 5.095 -7.938
305 HD2 PRO 43 1HD PRO 43 24.807 4.287 -6.272
306 HD3 PRO 43 2HD PRO 43 24.593 4.382 -8.032
307 H SER 44 H SER 44 28.069 0.034 -7.961
308 HA SER 44 HA SER 44 27.904 -1.088 -5.362
309 HB2 SER 44 1HB SER 44 28.822 -2.106 -7.594
310 HB3 SER 44 2HB SER 44 30.346 -1.383 -7.080
311 HG SER 44 HG SER 44 30.471 -2.758 -5.446
312 H SER 45 H SER 45 28.090 0.855 -4.068
313 HA SER 45 HA SER 45 30.849 1.348 -3.311
314 HB2 SER 45 1HB SER 45 30.328 3.079 -5.037
315 HB3 SER 45 2HB SER 45 29.023 3.661 -4.004
316 HG SER 45 HG SER 45 31.566 3.417 -2.881
317 H GLY 46 H GLY 46 30.842 0.952 -1.203
318 HA2 GLY 46 1HA GLY 46 30.336 1.251 1.035
319 HA3 GLY 46 2HA GLY 46 29.104 2.412 0.561
Start of MODEL 17
1 H1 GLY 1 H GLY 1 8.478 -20.010 13.536
2 HA2 GLY 1 1HA GLY 1 9.082 -20.641 10.811
3 HA3 GLY 1 2HA GLY 1 8.349 -22.002 11.648
4 H SER 2 H SER 2 7.826 -18.484 11.365
5 HA SER 2 HA SER 2 5.110 -18.484 11.933
6 HB2 SER 2 1HB SER 2 6.633 -16.470 11.699
7 HB3 SER 2 2HB SER 2 6.429 -16.618 9.954
8 HG SER 2 HG SER 2 4.878 -15.213 10.625
9 H SER 3 H SER 3 3.261 -18.238 10.540
10 HA SER 3 HA SER 3 3.444 -19.985 8.208
11 HB2 SER 3 1HB SER 3 0.924 -19.891 8.309
12 HB3 SER 3 2HB SER 3 1.694 -20.572 9.742
13 HG SER 3 HG SER 3 0.578 -19.120 10.767
14 H GLY 4 H GLY 4 2.074 -16.806 9.058
15 HA2 GLY 4 1HA GLY 4 2.887 -15.124 7.248
16 HA3 GLY 4 2HA GLY 4 1.933 -16.158 6.196
17 H SER 5 H SER 5 -0.260 -15.951 6.148
18 HA SER 5 HA SER 5 -1.388 -13.817 7.838
19 HB2 SER 5 1HB SER 5 -2.918 -13.296 6.032
20 HB3 SER 5 2HB SER 5 -1.273 -13.299 5.397
21 HG SER 5 HG SER 5 -2.585 -15.725 5.278
22 H SER 6 H SER 6 -3.831 -14.017 8.075
23 HA SER 6 HA SER 6 -4.493 -16.831 8.644
24 HB2 SER 6 1HB SER 6 -4.254 -15.171 10.591
25 HB3 SER 6 2HB SER 6 -5.758 -14.458 10.009
26 HG SER 6 HG SER 6 -6.841 -16.243 10.555
27 H GLY 7 H GLY 7 -7.001 -17.089 8.840
28 HA2 GLY 7 1HA GLY 7 -8.107 -16.878 6.308
29 HA3 GLY 7 2HA GLY 7 -9.037 -17.113 7.780
30 H THR 8 H THR 8 -9.875 -15.283 8.877
31 HA THR 8 HA THR 8 -10.740 -13.211 7.119
32 HB THR 8 HB THR 8 -11.026 -13.277 10.126
33 HG1 THR 8 HG1 THR 8 -12.606 -14.690 9.867
34 HG21 THR 8 3HG2 THR 8 -12.283 -11.448 9.908
35 HG22 THR 8 1HG2 THR 8 -13.233 -12.188 8.620
36 HG23 THR 8 2HG2 THR 8 -11.733 -11.343 8.235
37 H GLY 9 H GLY 9 -9.534 -11.533 6.532
38 HA2 GLY 9 1HA GLY 9 -8.565 -9.548 8.111
39 HA3 GLY 9 2HA GLY 9 -7.246 -10.709 8.080
40 H GLU 10 H GLU 10 -9.392 -8.852 5.947
41 HA GLU 10 HA GLU 10 -7.141 -8.623 4.060
42 HB2 GLU 10 1HB GLU 10 -8.657 -8.718 2.200
43 HB3 GLU 10 2HB GLU 10 -8.952 -10.120 3.219
44 HG2 GLU 10 1HG GLU 10 -11.074 -9.365 2.635
45 HG3 GLU 10 2HG GLU 10 -10.827 -8.757 4.271
46 H ARG 11 H ARG 11 -7.640 -6.740 2.449
47 HA ARG 11 HA ARG 11 -9.067 -4.519 3.634
48 HB2 ARG 11 1HB ARG 11 -6.100 -4.726 3.642
49 HB3 ARG 11 2HB ARG 11 -6.798 -3.163 3.238
50 HG2 ARG 11 1HG ARG 11 -7.904 -3.023 5.337
51 HG3 ARG 11 2HG ARG 11 -7.506 -4.698 5.724
52 HD2 ARG 11 1HD ARG 11 -5.273 -2.826 5.138
53 HD3 ARG 11 2HD ARG 11 -6.105 -2.664 6.684
54 HE ARG 11 HE ARG 11 -4.355 -4.801 5.865
55 HH11 ARG 11 1HH1 ARG 11 -6.902 -3.831 8.030
56 HH12 ARG 11 2HH1 ARG 11 -6.521 -5.028 9.224
57 HH21 ARG 11 1HH2 ARG 11 -3.843 -6.381 7.429
58 HH22 ARG 11 2HH2 ARG 11 -4.781 -6.477 8.881
59 HA PRO 12 HA PRO 12 -9.648 -3.481 -0.596
60 HB2 PRO 12 1HB PRO 12 -10.156 -0.824 -0.372
61 HB3 PRO 12 2HB PRO 12 -11.311 -2.068 0.121
62 HG2 PRO 12 1HG PRO 12 -9.413 -0.473 1.799
63 HG3 PRO 12 2HG PRO 12 -11.107 -0.890 2.116
64 HD2 PRO 12 1HD PRO 12 -9.042 -2.219 3.256
65 HD3 PRO 12 2HD PRO 12 -10.579 -3.010 2.851
66 H TYR 13 H TYR 13 -7.714 -1.032 1.142
67 HA TYR 13 HA TYR 13 -6.195 -0.478 -1.272
68 HB2 TYR 13 1HB TYR 13 -5.664 0.721 1.436
69 HB3 TYR 13 2HB TYR 13 -5.334 1.405 -0.152
70 HD1 TYR 13 HD1 TYR 13 -7.153 2.381 -1.487
71 HD2 TYR 13 HD2 TYR 13 -7.836 0.914 2.449
72 HE1 TYR 13 HE1 TYR 13 -9.289 3.598 -1.411
73 HE2 TYR 13 HE2 TYR 13 -9.975 2.126 2.535
74 HH TYR 13 HH TYR 13 -11.267 3.777 -0.281
75 H ILE 14 H ILE 14 -3.998 -0.824 -1.523
76 HA ILE 14 HA ILE 14 -2.487 -2.137 0.573
77 HB ILE 14 HB ILE 14 -3.071 -3.531 -2.040
78 HG12 ILE 14 1HG1 ILE 14 -3.656 -5.371 -0.250
79 HG13 ILE 14 2HG1 ILE 14 -3.845 -3.983 0.817
80 HG21 ILE 14 1HG2 ILE 14 -0.692 -3.564 -0.583
81 HG22 ILE 14 2HG2 ILE 14 -1.520 -5.060 -0.154
82 HG23 ILE 14 3HG2 ILE 14 -1.185 -4.692 -1.846
83 HD11 ILE 14 3HD1 ILE 14 -5.937 -3.904 0.081
84 HD12 ILE 14 1HD1 ILE 14 -5.269 -3.254 -1.416
85 HD13 ILE 14 2HD1 ILE 14 -5.590 -4.982 -1.270
86 H CYS 15 H CYS 15 -0.607 -1.116 0.583
87 HA CYS 15 HA CYS 15 0.340 0.561 -1.433
88 HB2 CYS 15 1HB CYS 15 1.104 0.763 0.867
89 HB3 CYS 15 2HB CYS 15 1.864 -0.823 0.783
90 H THR 16 H THR 16 1.925 0.350 -3.005
91 HA THR 16 HA THR 16 2.401 -2.407 -3.889
92 HB THR 16 HB THR 16 2.937 -1.446 -6.084
93 HG1 THR 16 HG1 THR 16 2.380 1.023 -4.773
94 HG21 THR 16 3HG2 THR 16 0.563 -0.149 -6.240
95 HG22 THR 16 1HG2 THR 16 0.346 -1.047 -4.739
96 HG23 THR 16 2HG2 THR 16 0.729 -1.904 -6.232
97 H VAL 17 H VAL 17 4.026 0.553 -2.969
98 HA VAL 17 HA VAL 17 6.596 0.107 -3.870
99 HB VAL 17 HB VAL 17 5.837 1.293 -1.197
100 HG11 VAL 17 1HG1 VAL 17 8.120 1.036 -1.047
101 HG12 VAL 17 2HG1 VAL 17 8.364 1.230 -2.784
102 HG13 VAL 17 3HG1 VAL 17 8.001 2.635 -1.780
103 HG21 VAL 17 3HG2 VAL 17 5.017 2.168 -3.651
104 HG22 VAL 17 1HG2 VAL 17 5.200 3.183 -2.221
105 HG23 VAL 17 2HG2 VAL 17 6.500 3.091 -3.409
106 H CYS 18 H CYS 18 5.324 -0.802 -0.660
107 HA CYS 18 HA CYS 18 7.509 -2.753 -0.428
108 HB2 CYS 18 1HB CYS 18 7.034 -2.743 1.983
109 HB3 CYS 18 2HB CYS 18 7.376 -1.120 1.391
110 H GLY 19 H GLY 19 4.004 -2.391 -0.141
111 HA2 GLY 19 1HA GLY 19 2.642 -4.209 -1.057
112 HA3 GLY 19 2HA GLY 19 3.789 -5.330 -0.342
113 H LYS 20 H LYS 20 2.637 -2.474 1.317
114 HA LYS 20 HA LYS 20 1.620 -4.128 3.463
115 HB2 LYS 20 1HB LYS 20 2.960 -1.924 3.683
116 HB3 LYS 20 2HB LYS 20 1.426 -1.130 3.348
117 HG2 LYS 20 1HG LYS 20 0.489 -1.797 5.339
118 HG3 LYS 20 2HG LYS 20 1.576 -3.177 5.511
119 HD2 LYS 20 1HD LYS 20 3.434 -1.406 5.741
120 HD3 LYS 20 2HD LYS 20 2.114 -0.273 6.039
121 HE2 LYS 20 1HE LYS 20 2.785 -0.993 8.169
122 HE3 LYS 20 2HE LYS 20 1.326 -1.918 7.818
123 HZ1 LYS 20 3HZ LYS 20 3.720 -3.229 6.940
124 HZ2 LYS 20 1HZ LYS 20 2.449 -3.823 7.887
125 HZ3 LYS 20 2HZ LYS 20 3.707 -2.953 8.609
126 H ALA 21 H ALA 21 -0.513 -3.657 4.443
127 HA ALA 21 HA ALA 21 -2.517 -2.962 2.396
128 HB1 ALA 21 3HB ALA 21 -2.265 -5.359 4.070
129 HB2 ALA 21 1HB ALA 21 -3.880 -4.650 4.028
130 HB3 ALA 21 2HB ALA 21 -3.087 -5.130 2.527
131 H PHE 22 H PHE 22 -4.044 -1.526 2.963
132 HA PHE 22 HA PHE 22 -4.300 -0.818 5.808
133 HB2 PHE 22 1HB PHE 22 -4.130 1.089 3.467
134 HB3 PHE 22 2HB PHE 22 -4.562 1.562 5.106
135 HD1 PHE 22 HD2 PHE 22 -1.856 0.367 2.936
136 HD2 PHE 22 HD1 PHE 22 -2.908 1.745 6.823
137 HE1 PHE 22 HE2 PHE 22 0.527 0.657 3.474
138 HE2 PHE 22 HE1 PHE 22 -0.527 2.038 7.368
139 HZ PHE 22 HZ PHE 22 1.194 1.493 5.693
140 H THR 23 H THR 23 -6.338 -0.208 6.508
141 HA THR 23 HA THR 23 -8.524 -1.176 4.885
142 HB THR 23 HB THR 23 -8.384 -1.631 7.338
143 HG1 THR 23 HG1 THR 23 -10.442 -1.903 6.926
144 HG21 THR 23 3HG2 THR 23 -9.374 0.370 8.710
145 HG22 THR 23 1HG2 THR 23 -8.663 1.343 7.423
146 HG23 THR 23 2HG2 THR 23 -7.642 0.283 8.395
147 H ASP 24 H ASP 24 -7.138 1.872 5.747
148 HA ASP 24 HA ASP 24 -9.314 3.234 4.304
149 HB2 ASP 24 1HB ASP 24 -8.074 3.882 6.930
150 HB3 ASP 24 2HB ASP 24 -8.476 5.231 5.872
151 H ARG 25 H ARG 25 -8.671 4.360 2.589
152 HA ARG 25 HA ARG 25 -6.180 4.323 1.491
153 HB2 ARG 25 1HB ARG 25 -8.150 5.087 0.271
154 HB3 ARG 25 2HB ARG 25 -8.223 6.539 1.261
155 HG2 ARG 25 1HG ARG 25 -7.271 7.125 -0.838
156 HG3 ARG 25 2HG ARG 25 -5.986 7.175 0.370
157 HD2 ARG 25 1HD ARG 25 -4.943 6.039 -1.333
158 HD3 ARG 25 2HD ARG 25 -5.591 4.702 -0.384
159 HE ARG 25 HE ARG 25 -7.064 4.227 -2.093
160 HH11 ARG 25 1HH1 ARG 25 -5.470 7.263 -2.695
161 HH12 ARG 25 2HH1 ARG 25 -6.032 7.383 -4.330
162 HH21 ARG 25 1HH2 ARG 25 -7.810 4.374 -4.244
163 HH22 ARG 25 2HH2 ARG 25 -7.363 5.740 -5.210
164 H SER 26 H SER 26 -7.501 6.975 3.471
165 HA SER 26 HA SER 26 -5.498 8.775 3.491
166 HB2 SER 26 1HB SER 26 -7.588 8.929 4.848
167 HB3 SER 26 2HB SER 26 -6.869 7.820 6.017
168 HG SER 26 HG SER 26 -6.675 10.304 6.212
169 H ASN 27 H ASN 27 -5.592 5.950 5.666
170 HA ASN 27 HA ASN 27 -3.114 6.332 6.872
171 HB2 ASN 27 1HB ASN 27 -4.816 3.910 6.378
172 HB3 ASN 27 2HB ASN 27 -3.217 3.730 7.093
173 HD21 ASN 27 1HD2 ASN 27 -2.867 4.369 9.172
174 HD22 ASN 27 2HD2 ASN 27 -4.128 4.888 10.233
175 H LEU 28 H LEU 28 -3.948 4.652 3.877
176 HA LEU 28 HA LEU 28 -1.419 3.554 3.344
177 HB2 LEU 28 1HB LEU 28 -3.359 2.786 2.164
178 HB3 LEU 28 2HB LEU 28 -3.647 4.393 1.499
179 HG LEU 28 HG LEU 28 -1.639 4.198 0.128
180 HD11 LEU 28 1HD1 LEU 28 -1.402 1.393 1.202
181 HD12 LEU 28 2HD1 LEU 28 -0.381 2.743 1.695
182 HD13 LEU 28 3HD1 LEU 28 -0.348 2.178 0.025
183 HD21 LEU 28 3HD2 LEU 28 -4.036 2.922 -0.263
184 HD22 LEU 28 1HD2 LEU 28 -2.861 1.640 -0.558
185 HD23 LEU 28 2HD2 LEU 28 -2.777 3.142 -1.479
186 H ILE 29 H ILE 29 -2.855 6.667 2.467
187 HA ILE 29 HA ILE 29 -0.716 7.559 0.848
188 HB ILE 29 HB ILE 29 -2.622 9.293 2.419
189 HG12 ILE 29 1HG1 ILE 29 -3.019 8.394 -0.426
190 HG13 ILE 29 2HG1 ILE 29 -3.646 7.456 0.925
191 HG21 ILE 29 1HG2 ILE 29 -0.834 10.583 1.525
192 HG22 ILE 29 2HG2 ILE 29 -0.944 9.767 -0.034
193 HG23 ILE 29 3HG2 ILE 29 -2.236 10.847 0.488
194 HD11 ILE 29 3HD1 ILE 29 -5.171 9.091 1.514
195 HD12 ILE 29 1HD1 ILE 29 -4.288 10.362 0.668
196 HD13 ILE 29 2HD1 ILE 29 -5.184 9.149 -0.248
197 H LYS 30 H LYS 30 -1.485 8.061 4.275
198 HA LYS 30 HA LYS 30 0.698 9.762 4.836
199 HB2 LYS 30 1HB LYS 30 -1.008 9.822 6.429
200 HB3 LYS 30 2HB LYS 30 -1.126 8.069 6.510
201 HG2 LYS 30 1HG LYS 30 1.151 8.073 7.577
202 HG3 LYS 30 2HG LYS 30 1.006 9.829 7.689
203 HD2 LYS 30 1HD LYS 30 -0.612 9.729 9.300
204 HD3 LYS 30 2HD LYS 30 -1.241 8.183 8.725
205 HE2 LYS 30 1HE LYS 30 -0.232 7.621 10.739
206 HE3 LYS 30 2HE LYS 30 1.009 7.223 9.551
207 HZ1 LYS 30 3HZ LYS 30 2.386 8.657 10.497
208 HZ2 LYS 30 1HZ LYS 30 1.254 8.905 11.730
209 HZ3 LYS 30 2HZ LYS 30 1.265 9.918 10.375
210 H HIS 31 H HIS 31 0.416 6.328 4.513
211 HA HIS 31 HA HIS 31 2.869 5.727 5.899
212 HB2 HIS 31 1HB HIS 31 1.473 3.903 6.013
213 HB3 HIS 31 2HB HIS 31 0.817 4.168 4.400
214 HD1 HIS 31 HD1 HIS 31 3.703 2.577 6.185
215 HD2 HIS 31 HD2 HIS 31 2.178 2.890 2.333
216 HE1 HIS 31 HE1 HIS 31 4.979 0.895 4.817
217 H GLN 32 H GLN 32 1.844 6.233 2.581
218 HA GLN 32 HA GLN 32 4.039 5.234 1.211
219 HB2 GLN 32 1HB GLN 32 2.209 7.552 0.613
220 HB3 GLN 32 2HB GLN 32 3.466 7.038 -0.503
221 HG2 GLN 32 1HG GLN 32 2.427 5.008 -0.939
222 HG3 GLN 32 2HG GLN 32 1.443 5.090 0.521
223 HE21 GLN 32 1HE2 GLN 32 -0.213 4.521 -1.138
224 HE22 GLN 32 2HE2 GLN 32 -1.013 5.824 -1.942
225 H LYS 33 H LYS 33 3.835 7.937 3.294
226 HA LYS 33 HA LYS 33 5.813 9.625 2.291
227 HB2 LYS 33 1HB LYS 33 4.783 9.065 5.053
228 HB3 LYS 33 2HB LYS 33 6.151 10.147 4.826
229 HG2 LYS 33 1HG LYS 33 4.471 11.668 4.775
230 HG3 LYS 33 2HG LYS 33 4.518 11.250 3.060
231 HD2 LYS 33 1HD LYS 33 2.770 9.468 3.643
232 HD3 LYS 33 2HD LYS 33 2.575 10.341 5.164
233 HE2 LYS 33 1HE LYS 33 2.431 11.795 2.552
234 HE3 LYS 33 2HE LYS 33 1.032 10.906 3.153
235 HZ1 LYS 33 3HZ LYS 33 0.674 12.395 4.782
236 HZ2 LYS 33 1HZ LYS 33 1.533 13.441 3.766
237 HZ3 LYS 33 2HZ LYS 33 2.319 12.681 5.056
238 H ILE 34 H ILE 34 6.066 6.633 4.088
239 HA ILE 34 HA ILE 34 8.800 6.856 4.793
240 HB ILE 34 HB ILE 34 8.696 4.651 5.510
241 HG12 ILE 34 1HG1 ILE 34 6.477 4.178 3.507
242 HG13 ILE 34 2HG1 ILE 34 8.147 3.648 3.338
243 HG21 ILE 34 1HG2 ILE 34 7.085 4.973 7.003
244 HG22 ILE 34 2HG2 ILE 34 6.505 6.316 6.020
245 HG23 ILE 34 3HG2 ILE 34 5.839 4.700 5.785
246 HD11 ILE 34 3HD1 ILE 34 6.736 1.814 4.022
247 HD12 ILE 34 1HD1 ILE 34 7.875 2.217 5.307
248 HD13 ILE 34 2HD1 ILE 34 6.190 2.727 5.428
249 H HIS 35 H HIS 35 7.258 6.304 1.820
250 HA HIS 35 HA HIS 35 9.596 4.973 0.663
251 HB2 HIS 35 1HB HIS 35 6.916 5.594 -0.596
252 HB3 HIS 35 2HB HIS 35 8.199 4.624 -1.314
253 HD1 HIS 35 HD1 HIS 35 8.916 2.684 0.832
254 HD2 HIS 35 HD2 HIS 35 4.991 3.842 0.114
255 HE1 HIS 35 HE1 HIS 35 7.488 0.840 1.773
256 H THR 36 H THR 36 7.792 7.973 0.570
257 HA THR 36 HA THR 36 9.276 9.052 -1.650
258 HB THR 36 HB THR 36 6.879 9.682 -0.984
259 HG1 THR 36 HG1 THR 36 7.491 12.029 -1.484
260 HG21 THR 36 3HG2 THR 36 8.287 11.629 0.831
261 HG22 THR 36 1HG2 THR 36 7.559 10.136 1.421
262 HG23 THR 36 2HG2 THR 36 6.553 11.363 0.652
263 H GLY 37 H GLY 37 9.586 8.977 1.800
264 HA2 GLY 37 1HA GLY 37 11.470 11.190 1.870
265 HA3 GLY 37 2HA GLY 37 10.945 10.221 3.239
266 H GLU 38 H GLU 38 13.617 11.045 1.776
267 HA GLU 38 HA GLU 38 14.815 8.425 1.411
268 HB2 GLU 38 1HB GLU 38 16.033 11.187 1.237
269 HB3 GLU 38 2HB GLU 38 16.845 9.689 0.807
270 HG2 GLU 38 1HG GLU 38 16.173 10.351 -1.253
271 HG3 GLU 38 2HG GLU 38 14.755 9.418 -0.778
272 H LYS 39 H LYS 39 16.065 7.386 2.843
273 HA LYS 39 HA LYS 39 16.911 8.832 5.264
274 HB2 LYS 39 1HB LYS 39 15.702 6.066 5.110
275 HB3 LYS 39 2HB LYS 39 16.462 6.734 6.549
276 HG2 LYS 39 1HG LYS 39 14.792 8.551 6.546
277 HG3 LYS 39 2HG LYS 39 14.003 7.786 5.165
278 HD2 LYS 39 1HD LYS 39 13.833 5.703 6.623
279 HD3 LYS 39 2HD LYS 39 14.271 6.749 7.976
280 HE2 LYS 39 1HE LYS 39 12.342 8.186 7.458
281 HE3 LYS 39 2HE LYS 39 11.898 7.097 6.144
282 HZ1 LYS 39 3HZ LYS 39 10.657 6.100 7.691
283 HZ2 LYS 39 1HZ LYS 39 11.483 6.819 8.981
284 HZ3 LYS 39 2HZ LYS 39 12.105 5.426 8.250
285 HA PRO 40 HA PRO 40 20.486 6.672 3.205
286 HB2 PRO 40 1HB PRO 40 22.146 8.818 3.290
287 HB3 PRO 40 2HB PRO 40 21.017 8.530 1.961
288 HG2 PRO 40 1HG PRO 40 20.740 10.351 4.322
289 HG3 PRO 40 2HG PRO 40 20.332 10.652 2.623
290 HD2 PRO 40 1HD PRO 40 18.467 10.005 4.476
291 HD3 PRO 40 2HD PRO 40 18.328 9.523 2.773
292 H SER 41 H SER 41 20.748 5.386 5.061
293 HA SER 41 HA SER 41 22.861 6.261 6.819
294 HB2 SER 41 1HB SER 41 20.179 5.498 7.999
295 HB3 SER 41 2HB SER 41 21.648 5.859 8.906
296 HG SER 41 HG SER 41 20.620 7.756 8.899
297 H GLY 42 H GLY 42 24.212 4.598 6.674
298 HA2 GLY 42 1HA GLY 42 25.028 2.455 6.837
299 HA3 GLY 42 2HA GLY 42 23.508 2.008 7.598
300 HA PRO 43 HA PRO 43 23.923 0.621 3.000
301 HB2 PRO 43 1HB PRO 43 25.175 -1.772 3.274
302 HB3 PRO 43 2HB PRO 43 26.044 -0.262 2.978
303 HG2 PRO 43 1HG PRO 43 25.606 -1.720 5.555
304 HG3 PRO 43 2HG PRO 43 27.080 -0.946 4.944
305 HD2 PRO 43 1HD PRO 43 25.468 0.229 6.776
306 HD3 PRO 43 2HD PRO 43 26.385 1.160 5.574
307 H SER 44 H SER 44 21.651 0.441 3.406
308 HA SER 44 HA SER 44 20.824 -2.293 4.124
309 HB2 SER 44 1HB SER 44 19.315 0.261 4.731
310 HB3 SER 44 2HB SER 44 18.769 -1.374 5.104
311 HG SER 44 HG SER 44 21.038 -1.344 6.212
312 H SER 45 H SER 45 19.944 0.652 2.350
313 HA SER 45 HA SER 45 17.786 -0.097 0.912
314 HB2 SER 45 1HB SER 45 20.211 1.475 0.072
315 HB3 SER 45 2HB SER 45 18.868 1.214 -1.041
316 HG SER 45 HG SER 45 18.986 2.735 1.294
317 H GLY 46 H GLY 46 17.508 -2.172 0.267
318 HA2 GLY 46 1HA GLY 46 19.581 -3.359 -1.461
319 HA3 GLY 46 2HA GLY 46 18.379 -4.268 -0.556
Start of MODEL 18
1 H1 GLY 1 H GLY 1 3.107 -24.416 13.183
2 HA2 GLY 1 1HA GLY 1 1.040 -26.090 14.454
3 HA3 GLY 1 2HA GLY 1 1.593 -24.536 15.060
4 H SER 2 H SER 2 0.490 -22.751 14.520
5 HA SER 2 HA SER 2 -1.295 -22.816 12.203
6 HB2 SER 2 1HB SER 2 -3.234 -22.212 13.400
7 HB3 SER 2 2HB SER 2 -2.511 -23.495 14.370
8 HG SER 2 HG SER 2 -1.583 -21.841 15.680
9 H SER 3 H SER 3 -0.897 -21.077 11.026
10 HA SER 3 HA SER 3 -0.673 -18.469 12.253
11 HB2 SER 3 1HB SER 3 1.657 -19.808 10.897
12 HB3 SER 3 2HB SER 3 1.502 -18.051 10.907
13 HG SER 3 HG SER 3 2.112 -18.040 12.913
14 H GLY 4 H GLY 4 -1.305 -16.844 10.903
15 HA2 GLY 4 1HA GLY 4 -1.264 -17.027 8.066
16 HA3 GLY 4 2HA GLY 4 -2.866 -17.403 8.682
17 H SER 5 H SER 5 -0.320 -14.936 8.785
18 HA SER 5 HA SER 5 -2.440 -12.907 9.058
19 HB2 SER 5 1HB SER 5 0.339 -12.868 10.258
20 HB3 SER 5 2HB SER 5 -0.785 -11.510 10.291
21 HG SER 5 HG SER 5 -0.860 -12.778 12.210
22 H SER 6 H SER 6 -1.978 -10.835 8.085
23 HA SER 6 HA SER 6 -1.570 -9.697 6.132
24 HB2 SER 6 1HB SER 6 0.857 -9.244 5.794
25 HB3 SER 6 2HB SER 6 0.348 -9.049 7.471
26 HG SER 6 HG SER 6 2.158 -10.256 7.591
27 H GLY 7 H GLY 7 -2.388 -12.276 5.540
28 HA2 GLY 7 1HA GLY 7 -0.561 -13.178 3.418
29 HA3 GLY 7 2HA GLY 7 -1.866 -14.127 4.113
30 H THR 8 H THR 8 -4.081 -13.447 3.618
31 HA THR 8 HA THR 8 -4.498 -13.141 0.874
32 HB THR 8 HB THR 8 -6.871 -12.783 1.415
33 HG1 THR 8 HG1 THR 8 -6.921 -11.563 3.225
34 HG21 THR 8 3HG2 THR 8 -6.322 -14.824 3.416
35 HG22 THR 8 1HG2 THR 8 -5.356 -15.032 1.956
36 HG23 THR 8 2HG2 THR 8 -7.115 -14.966 1.847
37 H GLY 9 H GLY 9 -5.944 -11.368 -0.069
38 HA2 GLY 9 1HA GLY 9 -5.009 -8.737 0.903
39 HA3 GLY 9 2HA GLY 9 -5.063 -9.145 -0.806
40 H GLU 10 H GLU 10 -7.293 -9.313 1.976
41 HA GLU 10 HA GLU 10 -9.558 -8.750 0.301
42 HB2 GLU 10 1HB GLU 10 -9.224 -9.036 3.285
43 HB3 GLU 10 2HB GLU 10 -10.765 -8.643 2.536
44 HG2 GLU 10 1HG GLU 10 -9.185 -11.082 1.790
45 HG3 GLU 10 2HG GLU 10 -10.358 -11.070 3.105
46 H ARG 11 H ARG 11 -7.395 -6.922 2.315
47 HA ARG 11 HA ARG 11 -8.869 -4.664 2.896
48 HB2 ARG 11 1HB ARG 11 -5.951 -4.862 2.132
49 HB3 ARG 11 2HB ARG 11 -6.695 -3.442 2.854
50 HG2 ARG 11 1HG ARG 11 -6.810 -6.118 4.196
51 HG3 ARG 11 2HG ARG 11 -5.421 -5.044 4.382
52 HD2 ARG 11 1HD ARG 11 -7.038 -3.258 5.105
53 HD3 ARG 11 2HD ARG 11 -8.286 -4.503 5.137
54 HE ARG 11 HE ARG 11 -6.289 -4.045 7.106
55 HH11 ARG 11 1HH1 ARG 11 -8.125 -6.558 5.548
56 HH12 ARG 11 2HH1 ARG 11 -8.031 -7.643 6.895
57 HH21 ARG 11 1HH2 ARG 11 -6.157 -5.464 8.887
58 HH22 ARG 11 2HH2 ARG 11 -6.911 -7.019 8.794
59 HA PRO 12 HA PRO 12 -9.822 -2.787 -0.969
60 HB2 PRO 12 1HB PRO 12 -10.165 -0.227 -0.133
61 HB3 PRO 12 2HB PRO 12 -11.336 -1.510 0.195
62 HG2 PRO 12 1HG PRO 12 -9.212 -0.382 1.978
63 HG3 PRO 12 2HG PRO 12 -10.891 -0.802 2.365
64 HD2 PRO 12 1HD PRO 12 -8.805 -2.415 2.984
65 HD3 PRO 12 2HD PRO 12 -10.412 -3.048 2.574
66 H TYR 13 H TYR 13 -7.486 -1.043 1.077
67 HA TYR 13 HA TYR 13 -6.054 -0.251 -1.373
68 HB2 TYR 13 1HB TYR 13 -5.661 1.120 1.266
69 HB3 TYR 13 2HB TYR 13 -5.397 1.744 -0.358
70 HD1 TYR 13 HD1 TYR 13 -7.261 2.584 -1.688
71 HD2 TYR 13 HD2 TYR 13 -7.864 1.145 2.270
72 HE1 TYR 13 HE1 TYR 13 -9.478 3.649 -1.645
73 HE2 TYR 13 HE2 TYR 13 -10.083 2.204 2.323
74 HH TYR 13 HH TYR 13 -11.330 4.000 -0.479
75 H ILE 14 H ILE 14 -3.915 -0.706 -1.574
76 HA ILE 14 HA ILE 14 -2.396 -1.693 0.693
77 HB ILE 14 HB ILE 14 -2.980 -3.435 -1.701
78 HG12 ILE 14 1HG1 ILE 14 -3.426 -5.014 0.397
79 HG13 ILE 14 2HG1 ILE 14 -3.717 -3.469 1.189
80 HG21 ILE 14 1HG2 ILE 14 -1.430 -5.053 -0.503
81 HG22 ILE 14 2HG2 ILE 14 -0.672 -3.697 -1.335
82 HG23 ILE 14 3HG2 ILE 14 -0.863 -3.661 0.418
83 HD11 ILE 14 3HD1 ILE 14 -5.738 -3.349 0.307
84 HD12 ILE 14 1HD1 ILE 14 -5.091 -3.551 -1.321
85 HD13 ILE 14 2HD1 ILE 14 -5.500 -4.967 -0.353
86 H CYS 15 H CYS 15 -0.441 -0.826 0.574
87 HA CYS 15 HA CYS 15 0.489 0.709 -1.549
88 HB2 CYS 15 1HB CYS 15 1.402 1.017 0.654
89 HB3 CYS 15 2HB CYS 15 1.998 -0.639 0.695
90 H THR 16 H THR 16 1.850 0.355 -3.256
91 HA THR 16 HA THR 16 2.208 -2.446 -4.028
92 HB THR 16 HB THR 16 1.124 -1.135 -5.716
93 HG1 THR 16 HG1 THR 16 2.477 -2.502 -6.742
94 HG21 THR 16 3HG2 THR 16 2.725 0.749 -6.736
95 HG22 THR 16 1HG2 THR 16 3.238 0.835 -5.051
96 HG23 THR 16 2HG2 THR 16 1.544 1.090 -5.472
97 H VAL 17 H VAL 17 4.000 0.391 -3.139
98 HA VAL 17 HA VAL 17 6.505 -0.185 -4.213
99 HB VAL 17 HB VAL 17 5.921 1.136 -1.558
100 HG11 VAL 17 1HG1 VAL 17 8.110 1.413 -1.316
101 HG12 VAL 17 2HG1 VAL 17 8.370 0.394 -2.734
102 HG13 VAL 17 3HG1 VAL 17 8.227 2.143 -2.917
103 HG21 VAL 17 3HG2 VAL 17 5.479 3.083 -2.631
104 HG22 VAL 17 1HG2 VAL 17 6.573 2.722 -3.967
105 HG23 VAL 17 2HG2 VAL 17 4.971 1.986 -3.915
106 H CYS 18 H CYS 18 5.459 -0.819 -0.857
107 HA CYS 18 HA CYS 18 7.506 -2.912 -0.684
108 HB2 CYS 18 1HB CYS 18 7.170 -2.770 1.752
109 HB3 CYS 18 2HB CYS 18 7.590 -1.206 1.061
110 H GLY 19 H GLY 19 4.061 -2.337 -0.054
111 HA2 GLY 19 1HA GLY 19 2.551 -4.130 -0.859
112 HA3 GLY 19 2HA GLY 19 3.673 -5.267 -0.127
113 H LYS 20 H LYS 20 2.756 -2.247 1.384
114 HA LYS 20 HA LYS 20 1.803 -3.682 3.703
115 HB2 LYS 20 1HB LYS 20 3.177 -1.446 3.576
116 HB3 LYS 20 2HB LYS 20 1.589 -0.710 3.405
117 HG2 LYS 20 1HG LYS 20 1.797 -0.602 5.659
118 HG3 LYS 20 2HG LYS 20 1.073 -2.207 5.527
119 HD2 LYS 20 1HD LYS 20 4.051 -1.789 5.556
120 HD3 LYS 20 2HD LYS 20 3.112 -1.973 7.040
121 HE2 LYS 20 1HE LYS 20 3.672 -4.152 6.690
122 HE3 LYS 20 2HE LYS 20 2.183 -4.091 5.748
123 HZ1 LYS 20 3HZ LYS 20 3.730 -5.113 4.359
124 HZ2 LYS 20 1HZ LYS 20 4.973 -4.044 4.774
125 HZ3 LYS 20 2HZ LYS 20 3.693 -3.516 3.804
126 H ALA 21 H ALA 21 -0.267 -3.818 4.442
127 HA ALA 21 HA ALA 21 -2.363 -2.959 2.571
128 HB1 ALA 21 3HB ALA 21 -1.898 -5.403 3.837
129 HB2 ALA 21 1HB ALA 21 -3.299 -4.711 4.656
130 HB3 ALA 21 2HB ALA 21 -3.321 -4.935 2.906
131 H PHE 22 H PHE 22 -3.962 -1.597 3.173
132 HA PHE 22 HA PHE 22 -4.132 -0.808 5.997
133 HB2 PHE 22 1HB PHE 22 -3.920 1.038 3.615
134 HB3 PHE 22 2HB PHE 22 -4.465 1.569 5.203
135 HD1 PHE 22 HD1 PHE 22 -2.909 1.511 7.124
136 HD2 PHE 22 HD2 PHE 22 -1.626 0.683 3.150
137 HE1 PHE 22 HE1 PHE 22 -0.572 1.872 7.806
138 HE2 PHE 22 HE2 PHE 22 0.712 1.041 3.827
139 HZ PHE 22 HZ PHE 22 1.242 1.636 6.157
140 H THR 23 H THR 23 -6.161 -0.334 6.742
141 HA THR 23 HA THR 23 -8.363 -1.324 5.203
142 HB THR 23 HB THR 23 -9.744 -0.732 7.157
143 HG1 THR 23 HG1 THR 23 -9.021 0.611 8.639
144 HG21 THR 23 3HG2 THR 23 -7.584 -1.907 8.660
145 HG22 THR 23 1HG2 THR 23 -7.675 -2.618 7.049
146 HG23 THR 23 2HG2 THR 23 -9.088 -2.641 8.104
147 H ASP 24 H ASP 24 -7.315 1.869 6.315
148 HA ASP 24 HA ASP 24 -9.454 3.091 4.712
149 HB2 ASP 24 1HB ASP 24 -9.248 3.701 7.149
150 HB3 ASP 24 2HB ASP 24 -7.698 4.445 6.765
151 H ARG 25 H ARG 25 -9.011 4.509 3.078
152 HA ARG 25 HA ARG 25 -6.675 4.234 1.615
153 HB2 ARG 25 1HB ARG 25 -8.741 5.078 0.637
154 HB3 ARG 25 2HB ARG 25 -8.635 6.535 1.617
155 HG2 ARG 25 1HG ARG 25 -6.412 6.959 0.447
156 HG3 ARG 25 2HG ARG 25 -6.914 5.710 -0.694
157 HD2 ARG 25 1HD ARG 25 -9.126 7.157 -0.747
158 HD3 ARG 25 2HD ARG 25 -8.020 8.433 -0.238
159 HE ARG 25 HE ARG 25 -7.206 8.488 -2.364
160 HH11 ARG 25 1HH1 ARG 25 -8.751 5.411 -1.852
161 HH12 ARG 25 2HH1 ARG 25 -8.551 4.890 -3.492
162 HH21 ARG 25 1HH2 ARG 25 -6.936 7.814 -4.526
163 HH22 ARG 25 2HH2 ARG 25 -7.518 6.258 -5.012
164 H SER 26 H SER 26 -7.637 7.117 3.488
165 HA SER 26 HA SER 26 -5.474 8.696 3.275
166 HB2 SER 26 1HB SER 26 -7.566 8.938 4.797
167 HB3 SER 26 2HB SER 26 -6.560 8.181 6.032
168 HG SER 26 HG SER 26 -6.175 10.306 6.274
169 H ASN 27 H ASN 27 -5.715 6.058 5.660
170 HA ASN 27 HA ASN 27 -3.271 6.241 6.866
171 HB2 ASN 27 1HB ASN 27 -5.082 3.964 6.234
172 HB3 ASN 27 2HB ASN 27 -3.455 3.577 6.784
173 HD21 ASN 27 1HD2 ASN 27 -6.323 3.526 7.927
174 HD22 ASN 27 2HD2 ASN 27 -6.118 4.181 9.512
175 H LEU 28 H LEU 28 -3.977 4.388 3.905
176 HA LEU 28 HA LEU 28 -1.411 3.468 3.389
177 HB2 LEU 28 1HB LEU 28 -3.210 2.588 2.135
178 HB3 LEU 28 2HB LEU 28 -3.682 4.184 1.557
179 HG LEU 28 HG LEU 28 -1.628 4.265 0.191
180 HD11 LEU 28 1HD1 LEU 28 -0.190 2.408 -0.047
181 HD12 LEU 28 2HD1 LEU 28 -1.254 1.366 0.897
182 HD13 LEU 28 3HD1 LEU 28 -0.367 2.669 1.688
183 HD21 LEU 28 3HD2 LEU 28 -2.516 3.044 -1.545
184 HD22 LEU 28 1HD2 LEU 28 -3.920 3.207 -0.489
185 HD23 LEU 28 2HD2 LEU 28 -2.996 1.704 -0.502
186 H ILE 29 H ILE 29 -2.968 6.388 2.058
187 HA ILE 29 HA ILE 29 -0.858 7.390 0.600
188 HB ILE 29 HB ILE 29 -2.823 9.018 2.216
189 HG12 ILE 29 1HG1 ILE 29 -3.057 8.335 -0.704
190 HG13 ILE 29 2HG1 ILE 29 -3.694 7.256 0.532
191 HG21 ILE 29 1HG2 ILE 29 -0.818 9.696 0.130
192 HG22 ILE 29 2HG2 ILE 29 -2.352 10.564 0.131
193 HG23 ILE 29 3HG2 ILE 29 -1.316 10.604 1.557
194 HD11 ILE 29 3HD1 ILE 29 -5.283 8.814 1.231
195 HD12 ILE 29 1HD1 ILE 29 -4.462 10.148 0.423
196 HD13 ILE 29 2HD1 ILE 29 -5.296 8.920 -0.529
197 H LYS 30 H LYS 30 -1.518 7.810 4.055
198 HA LYS 30 HA LYS 30 0.674 9.547 4.546
199 HB2 LYS 30 1HB LYS 30 -1.051 9.618 6.144
200 HB3 LYS 30 2HB LYS 30 -1.094 7.867 6.305
201 HG2 LYS 30 1HG LYS 30 1.047 7.895 7.447
202 HG3 LYS 30 2HG LYS 30 1.153 9.644 7.237
203 HD2 LYS 30 1HD LYS 30 0.322 9.546 9.368
204 HD3 LYS 30 2HD LYS 30 -1.187 9.589 8.453
205 HE2 LYS 30 1HE LYS 30 -1.155 7.067 8.514
206 HE3 LYS 30 2HE LYS 30 0.175 7.192 9.666
207 HZ1 LYS 30 3HZ LYS 30 -1.221 7.697 11.305
208 HZ2 LYS 30 1HZ LYS 30 -2.472 7.191 10.284
209 HZ3 LYS 30 2HZ LYS 30 -2.066 8.830 10.376
210 H HIS 31 H HIS 31 0.330 6.098 4.342
211 HA HIS 31 HA HIS 31 2.770 5.463 5.699
212 HB2 HIS 31 1HB HIS 31 1.337 3.658 5.739
213 HB3 HIS 31 2HB HIS 31 0.752 3.949 4.104
214 HD1 HIS 31 HD1 HIS 31 3.356 2.130 6.018
215 HD2 HIS 31 HD2 HIS 31 2.379 2.867 2.048
216 HE1 HIS 31 HE1 HIS 31 4.723 0.501 4.676
217 H GLN 32 H GLN 32 1.797 5.850 2.324
218 HA GLN 32 HA GLN 32 4.046 4.932 1.026
219 HB2 GLN 32 1HB GLN 32 1.991 6.993 0.415
220 HB3 GLN 32 2HB GLN 32 3.443 6.981 -0.578
221 HG2 GLN 32 1HG GLN 32 3.038 4.668 -1.184
222 HG3 GLN 32 2HG GLN 32 1.616 4.629 -0.143
223 HE21 GLN 32 1HE2 GLN 32 -0.146 4.624 -1.327
224 HE22 GLN 32 2HE2 GLN 32 -0.433 5.579 -2.737
225 H LYS 33 H LYS 33 3.691 7.740 2.993
226 HA LYS 33 HA LYS 33 5.752 9.356 2.018
227 HB2 LYS 33 1HB LYS 33 4.401 9.041 4.662
228 HB3 LYS 33 2HB LYS 33 5.870 10.005 4.583
229 HG2 LYS 33 1HG LYS 33 3.801 11.336 4.379
230 HG3 LYS 33 2HG LYS 33 4.876 11.495 2.988
231 HD2 LYS 33 1HD LYS 33 3.510 9.872 1.757
232 HD3 LYS 33 2HD LYS 33 2.431 9.731 3.147
233 HE2 LYS 33 1HE LYS 33 1.327 11.243 1.773
234 HE3 LYS 33 2HE LYS 33 2.168 12.286 2.918
235 HZ1 LYS 33 3HZ LYS 33 2.340 12.975 0.544
236 HZ2 LYS 33 1HZ LYS 33 3.255 11.583 0.250
237 HZ3 LYS 33 2HZ LYS 33 3.830 12.763 1.316
238 H ILE 34 H ILE 34 5.830 6.486 3.999
239 HA ILE 34 HA ILE 34 8.408 6.718 5.069
240 HB ILE 34 HB ILE 34 8.308 4.432 5.588
241 HG12 ILE 34 1HG1 ILE 34 6.267 4.103 3.377
242 HG13 ILE 34 2HG1 ILE 34 7.956 3.617 3.284
243 HG21 ILE 34 1HG2 ILE 34 6.023 6.063 5.935
244 HG22 ILE 34 2HG2 ILE 34 5.463 4.419 5.637
245 HG23 ILE 34 3HG2 ILE 34 6.589 4.741 6.955
246 HD11 ILE 34 3HD1 ILE 34 6.405 1.751 3.732
247 HD12 ILE 34 1HD1 ILE 34 7.626 1.963 4.987
248 HD13 ILE 34 2HD1 ILE 34 5.975 2.518 5.261
249 H HIS 35 H HIS 35 7.381 6.186 1.859
250 HA HIS 35 HA HIS 35 9.946 5.033 1.055
251 HB2 HIS 35 1HB HIS 35 7.546 5.627 -0.683
252 HB3 HIS 35 2HB HIS 35 8.929 4.613 -1.087
253 HD1 HIS 35 HD1 HIS 35 9.160 2.612 1.007
254 HD2 HIS 35 HD2 HIS 35 5.437 4.045 -0.154
255 HE1 HIS 35 HE1 HIS 35 7.511 0.852 1.718
256 H THR 36 H THR 36 9.403 7.891 1.944
257 HA THR 36 HA THR 36 11.197 9.152 0.153
258 HB THR 36 HB THR 36 9.354 9.354 -1.364
259 HG1 THR 36 HG1 THR 36 9.316 11.890 -0.141
260 HG21 THR 36 3HG2 THR 36 7.568 8.979 0.334
261 HG22 THR 36 1HG2 THR 36 7.219 10.300 -0.780
262 HG23 THR 36 2HG2 THR 36 7.774 10.650 0.857
263 H GLY 37 H GLY 37 12.353 10.265 1.582
264 HA2 GLY 37 1HA GLY 37 10.952 12.101 3.390
265 HA3 GLY 37 2HA GLY 37 12.063 10.935 4.093
266 H GLU 38 H GLU 38 13.407 12.568 4.902
267 HA GLU 38 HA GLU 38 14.813 14.179 2.883
268 HB2 GLU 38 1HB GLU 38 13.762 15.500 4.635
269 HB3 GLU 38 2HB GLU 38 14.580 14.557 5.872
270 HG2 GLU 38 1HG GLU 38 16.752 15.361 4.820
271 HG3 GLU 38 2HG GLU 38 15.760 16.527 3.947
272 H LYS 39 H LYS 39 15.403 12.284 5.836
273 HA LYS 39 HA LYS 39 18.240 12.191 5.370
274 HB2 LYS 39 1HB LYS 39 17.093 12.148 7.643
275 HB3 LYS 39 2HB LYS 39 16.669 10.478 7.293
276 HG2 LYS 39 1HG LYS 39 19.031 9.906 7.108
277 HG3 LYS 39 2HG LYS 39 19.467 11.585 7.434
278 HD2 LYS 39 1HD LYS 39 19.704 10.454 9.491
279 HD3 LYS 39 2HD LYS 39 18.185 11.344 9.612
280 HE2 LYS 39 1HE LYS 39 17.011 9.243 8.907
281 HE3 LYS 39 2HE LYS 39 18.555 8.405 9.057
282 HZ1 LYS 39 3HZ LYS 39 18.622 8.873 11.368
283 HZ2 LYS 39 1HZ LYS 39 17.082 8.252 11.041
284 HZ3 LYS 39 2HZ LYS 39 17.292 9.914 11.276
285 HA PRO 40 HA PRO 40 18.289 8.677 2.705
286 HB2 PRO 40 1HB PRO 40 20.880 7.948 3.063
287 HB3 PRO 40 2HB PRO 40 20.401 9.357 2.108
288 HG2 PRO 40 1HG PRO 40 21.383 9.228 4.933
289 HG3 PRO 40 2HG PRO 40 21.815 10.373 3.650
290 HD2 PRO 40 1HD PRO 40 20.045 10.978 5.607
291 HD3 PRO 40 2HD PRO 40 19.912 11.636 3.964
292 H SER 41 H SER 41 18.333 6.412 2.768
293 HA SER 41 HA SER 41 17.794 5.275 5.353
294 HB2 SER 41 1HB SER 41 16.726 4.713 3.015
295 HB3 SER 41 2HB SER 41 18.092 3.605 2.884
296 HG SER 41 HG SER 41 17.290 2.399 4.453
297 H GLY 42 H GLY 42 20.250 4.757 2.829
298 HA2 GLY 42 1HA GLY 42 22.576 4.566 3.699
299 HA3 GLY 42 2HA GLY 42 21.921 3.447 4.886
300 HA PRO 43 HA PRO 43 23.118 0.214 2.146
301 HB2 PRO 43 1HB PRO 43 21.677 -1.796 3.266
302 HB3 PRO 43 2HB PRO 43 23.142 -1.138 4.004
303 HG2 PRO 43 1HG PRO 43 20.275 -0.548 4.631
304 HG3 PRO 43 2HG PRO 43 21.631 -0.814 5.742
305 HD2 PRO 43 1HD PRO 43 20.711 1.658 5.132
306 HD3 PRO 43 2HD PRO 43 22.419 1.338 5.496
307 H SER 44 H SER 44 22.417 -0.347 0.183
308 HA SER 44 HA SER 44 19.973 0.411 -0.877
309 HB2 SER 44 1HB SER 44 22.151 -0.345 -2.068
310 HB3 SER 44 2HB SER 44 21.467 -1.967 -1.955
311 HG SER 44 HG SER 44 20.842 0.044 -3.653
312 H SER 45 H SER 45 18.007 -0.260 -0.365
313 HA SER 45 HA SER 45 17.599 -2.889 0.797
314 HB2 SER 45 1HB SER 45 16.481 -0.580 1.460
315 HB3 SER 45 2HB SER 45 15.330 -1.035 0.204
316 HG SER 45 HG SER 45 15.813 -2.193 2.688
317 H GLY 46 H GLY 46 16.717 -4.605 -0.200
318 HA2 GLY 46 1HA GLY 46 15.071 -5.456 -1.805
319 HA3 GLY 46 2HA GLY 46 15.594 -4.185 -2.900
Start of MODEL 19
1 H1 GLY 1 H GLY 1 0.175 -26.768 -2.162
2 HA2 GLY 1 1HA GLY 1 0.375 -24.609 -1.116
3 HA3 GLY 1 2HA GLY 1 -0.540 -24.364 -2.597
4 H SER 2 H SER 2 -0.686 -24.548 0.877
5 HA SER 2 HA SER 2 -3.535 -23.885 0.867
6 HB2 SER 2 1HB SER 2 -3.433 -24.254 3.292
7 HB3 SER 2 2HB SER 2 -2.772 -25.638 2.421
8 HG SER 2 HG SER 2 -1.516 -24.828 4.268
9 H SER 3 H SER 3 -4.237 -22.176 2.451
10 HA SER 3 HA SER 3 -2.335 -19.925 2.469
11 HB2 SER 3 1HB SER 3 -3.888 -19.357 0.773
12 HB3 SER 3 2HB SER 3 -5.256 -19.945 1.717
13 HG SER 3 HG SER 3 -5.238 -17.729 1.866
14 H GLY 4 H GLY 4 -2.161 -18.792 4.330
15 HA2 GLY 4 1HA GLY 4 -3.389 -19.900 6.689
16 HA3 GLY 4 2HA GLY 4 -2.239 -18.572 6.635
17 H SER 5 H SER 5 -5.354 -19.378 7.358
18 HA SER 5 HA SER 5 -6.881 -17.247 6.389
19 HB2 SER 5 1HB SER 5 -7.628 -19.385 7.647
20 HB3 SER 5 2HB SER 5 -7.343 -18.445 9.111
21 HG SER 5 HG SER 5 -9.539 -18.433 8.002
22 H SER 6 H SER 6 -6.853 -15.144 6.802
23 HA SER 6 HA SER 6 -5.652 -14.220 9.329
24 HB2 SER 6 1HB SER 6 -4.201 -13.822 7.308
25 HB3 SER 6 2HB SER 6 -5.468 -12.767 6.682
26 HG SER 6 HG SER 6 -4.597 -12.294 9.281
27 H GLY 7 H GLY 7 -7.301 -13.525 10.536
28 HA2 GLY 7 1HA GLY 7 -9.146 -12.332 11.198
29 HA3 GLY 7 2HA GLY 7 -8.749 -11.215 9.901
30 H THR 8 H THR 8 -10.671 -10.811 8.979
31 HA THR 8 HA THR 8 -12.174 -13.127 7.949
32 HB THR 8 HB THR 8 -13.427 -10.540 8.884
33 HG1 THR 8 HG1 THR 8 -13.435 -11.405 10.807
34 HG21 THR 8 3HG2 THR 8 -14.382 -12.861 7.408
35 HG22 THR 8 1HG2 THR 8 -15.131 -11.282 7.634
36 HG23 THR 8 2HG2 THR 8 -15.334 -12.537 8.856
37 H GLY 9 H GLY 9 -11.853 -9.587 7.580
38 HA2 GLY 9 1HA GLY 9 -12.309 -9.936 4.691
39 HA3 GLY 9 2HA GLY 9 -12.536 -8.438 5.581
40 H GLU 10 H GLU 10 -11.016 -8.785 3.174
41 HA GLU 10 HA GLU 10 -8.260 -8.408 4.118
42 HB2 GLU 10 1HB GLU 10 -9.338 -8.957 1.348
43 HB3 GLU 10 2HB GLU 10 -7.642 -8.674 1.717
44 HG2 GLU 10 1HG GLU 10 -7.919 -11.008 1.546
45 HG3 GLU 10 2HG GLU 10 -7.750 -10.645 3.263
46 H ARG 11 H ARG 11 -7.446 -6.428 4.223
47 HA ARG 11 HA ARG 11 -8.749 -4.083 3.902
48 HB2 ARG 11 1HB ARG 11 -5.873 -4.828 3.726
49 HB3 ARG 11 2HB ARG 11 -6.324 -3.205 3.220
50 HG2 ARG 11 1HG ARG 11 -5.701 -3.066 5.493
51 HG3 ARG 11 2HG ARG 11 -7.460 -2.939 5.444
52 HD2 ARG 11 1HD ARG 11 -6.795 -4.408 7.246
53 HD3 ARG 11 2HD ARG 11 -7.622 -5.335 5.994
54 HE ARG 11 HE ARG 11 -4.916 -5.483 5.432
55 HH11 ARG 11 1HH1 ARG 11 -7.060 -6.415 8.012
56 HH12 ARG 11 2HH1 ARG 11 -6.099 -7.773 8.496
57 HH21 ARG 11 1HH2 ARG 11 -3.642 -7.268 6.060
58 HH22 ARG 11 2HH2 ARG 11 -4.154 -8.256 7.385
59 HA PRO 12 HA PRO 12 -9.555 -3.582 -0.408
60 HB2 PRO 12 1HB PRO 12 -10.103 -0.924 -0.386
61 HB3 PRO 12 2HB PRO 12 -11.224 -2.141 0.236
62 HG2 PRO 12 1HG PRO 12 -9.313 -0.386 1.729
63 HG3 PRO 12 2HG PRO 12 -10.991 -0.802 2.123
64 HD2 PRO 12 1HD PRO 12 -8.876 -2.003 3.312
65 HD3 PRO 12 2HD PRO 12 -10.409 -2.847 3.013
66 H TYR 13 H TYR 13 -7.633 -0.958 1.067
67 HA TYR 13 HA TYR 13 -6.169 -0.604 -1.421
68 HB2 TYR 13 1HB TYR 13 -5.707 0.868 1.171
69 HB3 TYR 13 2HB TYR 13 -5.280 1.381 -0.458
70 HD1 TYR 13 HD1 TYR 13 -6.959 2.310 -1.951
71 HD2 TYR 13 HD2 TYR 13 -7.985 1.073 1.988
72 HE1 TYR 13 HE1 TYR 13 -9.086 3.531 -2.128
73 HE2 TYR 13 HE2 TYR 13 -10.116 2.289 1.821
74 HH TYR 13 HH TYR 13 -11.427 3.540 0.547
75 H ILE 14 H ILE 14 -3.969 -0.924 -1.675
76 HA ILE 14 HA ILE 14 -2.426 -2.036 0.525
77 HB ILE 14 HB ILE 14 -2.879 -3.574 -2.035
78 HG12 ILE 14 1HG1 ILE 14 -3.499 -5.323 -0.135
79 HG13 ILE 14 2HG1 ILE 14 -3.844 -3.858 0.776
80 HG21 ILE 14 1HG2 ILE 14 -0.717 -3.621 -0.081
81 HG22 ILE 14 2HG2 ILE 14 -1.466 -5.197 -0.332
82 HG23 ILE 14 3HG2 ILE 14 -0.796 -4.312 -1.702
83 HD11 ILE 14 3HD1 ILE 14 -5.158 -3.304 -1.494
84 HD12 ILE 14 1HD1 ILE 14 -5.277 -5.063 -1.491
85 HD13 ILE 14 2HD1 ILE 14 -5.885 -4.136 -0.119
86 H CYS 15 H CYS 15 -0.590 -0.935 0.509
87 HA CYS 15 HA CYS 15 0.340 0.728 -1.479
88 HB2 CYS 15 1HB CYS 15 1.265 0.967 0.689
89 HB3 CYS 15 2HB CYS 15 1.794 -0.712 0.733
90 H THR 16 H THR 16 1.968 0.578 -3.053
91 HA THR 16 HA THR 16 2.316 -2.131 -4.126
92 HB THR 16 HB THR 16 1.320 -0.649 -5.724
93 HG1 THR 16 HG1 THR 16 3.103 -0.604 -7.320
94 HG21 THR 16 3HG2 THR 16 3.325 1.261 -6.266
95 HG22 THR 16 1HG2 THR 16 3.048 1.294 -4.526
96 HG23 THR 16 2HG2 THR 16 1.702 1.543 -5.638
97 H VAL 17 H VAL 17 4.062 0.640 -2.934
98 HA VAL 17 HA VAL 17 6.614 0.166 -3.901
99 HB VAL 17 HB VAL 17 5.984 1.133 -1.111
100 HG11 VAL 17 1HG1 VAL 17 8.403 1.020 -2.779
101 HG12 VAL 17 2HG1 VAL 17 8.119 2.558 -1.962
102 HG13 VAL 17 3HG1 VAL 17 8.233 1.067 -1.025
103 HG21 VAL 17 3HG2 VAL 17 4.957 2.879 -2.027
104 HG22 VAL 17 1HG2 VAL 17 6.474 3.308 -2.818
105 HG23 VAL 17 2HG2 VAL 17 5.305 2.283 -3.650
106 H CYS 18 H CYS 18 5.484 -0.789 -0.652
107 HA CYS 18 HA CYS 18 7.477 -2.943 -0.673
108 HB2 CYS 18 1HB CYS 18 7.156 -3.011 1.766
109 HB3 CYS 18 2HB CYS 18 7.610 -1.400 1.219
110 H GLY 19 H GLY 19 4.052 -2.324 0.026
111 HA2 GLY 19 1HA GLY 19 2.507 -4.012 -0.957
112 HA3 GLY 19 2HA GLY 19 3.578 -5.226 -0.272
113 H LYS 20 H LYS 20 2.661 -2.265 1.371
114 HA LYS 20 HA LYS 20 1.685 -3.783 3.617
115 HB2 LYS 20 1HB LYS 20 3.005 -1.544 3.630
116 HB3 LYS 20 2HB LYS 20 1.436 -0.802 3.343
117 HG2 LYS 20 1HG LYS 20 1.455 -0.705 5.603
118 HG3 LYS 20 2HG LYS 20 0.771 -2.322 5.417
119 HD2 LYS 20 1HD LYS 20 3.734 -2.019 5.541
120 HD3 LYS 20 2HD LYS 20 2.801 -1.883 7.034
121 HE2 LYS 20 1HE LYS 20 1.735 -4.081 6.442
122 HE3 LYS 20 2HE LYS 20 2.907 -4.218 5.132
123 HZ1 LYS 20 3HZ LYS 20 4.383 -4.995 6.565
124 HZ2 LYS 20 1HZ LYS 20 3.241 -4.912 7.810
125 HZ3 LYS 20 2HZ LYS 20 4.264 -3.599 7.512
126 H ALA 21 H ALA 21 -0.410 -3.706 4.490
127 HA ALA 21 HA ALA 21 -2.495 -2.988 2.536
128 HB1 ALA 21 3HB ALA 21 -3.544 -4.919 2.951
129 HB2 ALA 21 1HB ALA 21 -2.019 -5.433 3.673
130 HB3 ALA 21 2HB ALA 21 -3.303 -4.781 4.692
131 H PHE 22 H PHE 22 -4.107 -1.633 3.109
132 HA PHE 22 HA PHE 22 -4.290 -0.811 5.926
133 HB2 PHE 22 1HB PHE 22 -4.198 0.997 3.506
134 HB3 PHE 22 2HB PHE 22 -4.690 1.535 5.108
135 HD1 PHE 22 HD1 PHE 22 -3.076 1.744 6.903
136 HD2 PHE 22 HD2 PHE 22 -1.895 0.493 3.010
137 HE1 PHE 22 HE1 PHE 22 -0.724 2.174 7.482
138 HE2 PHE 22 HE2 PHE 22 0.459 0.920 3.583
139 HZ PHE 22 HZ PHE 22 1.047 1.761 5.822
140 H THR 23 H THR 23 -6.336 -0.097 6.617
141 HA THR 23 HA THR 23 -8.530 -1.272 5.137
142 HB THR 23 HB THR 23 -8.459 -1.630 7.540
143 HG1 THR 23 HG1 THR 23 -10.542 -1.621 6.952
144 HG21 THR 23 3HG2 THR 23 -7.420 0.154 8.555
145 HG22 THR 23 1HG2 THR 23 -9.105 0.511 8.928
146 HG23 THR 23 2HG2 THR 23 -8.298 1.348 7.601
147 H ASP 24 H ASP 24 -7.071 1.764 5.352
148 HA ASP 24 HA ASP 24 -9.292 2.968 3.892
149 HB2 ASP 24 1HB ASP 24 -8.331 3.834 6.569
150 HB3 ASP 24 2HB ASP 24 -8.688 5.100 5.399
151 H ARG 25 H ARG 25 -8.682 4.563 2.450
152 HA ARG 25 HA ARG 25 -6.091 4.444 1.409
153 HB2 ARG 25 1HB ARG 25 -7.961 5.122 0.032
154 HB3 ARG 25 2HB ARG 25 -8.242 6.533 1.043
155 HG2 ARG 25 1HG ARG 25 -7.162 7.289 -0.919
156 HG3 ARG 25 2HG ARG 25 -5.964 7.344 0.376
157 HD2 ARG 25 1HD ARG 25 -4.798 6.390 -1.396
158 HD3 ARG 25 2HD ARG 25 -5.293 4.996 -0.436
159 HE ARG 25 HE ARG 25 -7.284 5.374 -2.302
160 HH11 ARG 25 1HH1 ARG 25 -3.864 4.728 -2.339
161 HH12 ARG 25 2HH1 ARG 25 -3.913 3.856 -3.836
162 HH21 ARG 25 1HH2 ARG 25 -7.362 4.229 -4.273
163 HH22 ARG 25 2HH2 ARG 25 -5.903 3.574 -4.935
164 H SER 26 H SER 26 -7.584 6.732 3.638
165 HA SER 26 HA SER 26 -5.657 8.719 3.682
166 HB2 SER 26 1HB SER 26 -6.399 8.916 6.183
167 HB3 SER 26 2HB SER 26 -7.572 9.230 4.904
168 HG SER 26 HG SER 26 -8.177 7.744 6.711
169 H ASN 27 H ASN 27 -5.839 5.828 5.757
170 HA ASN 27 HA ASN 27 -3.432 6.287 7.133
171 HB2 ASN 27 1HB ASN 27 -5.231 3.952 6.717
172 HB3 ASN 27 2HB ASN 27 -3.606 3.626 7.313
173 HD21 ASN 27 1HD2 ASN 27 -4.857 2.840 9.175
174 HD22 ASN 27 2HD2 ASN 27 -5.293 3.973 10.404
175 H LEU 28 H LEU 28 -4.047 5.177 3.950
176 HA LEU 28 HA LEU 28 -1.509 3.831 3.633
177 HB2 LEU 28 1HB LEU 28 -3.369 2.986 2.388
178 HB3 LEU 28 2HB LEU 28 -3.690 4.574 1.694
179 HG LEU 28 HG LEU 28 -1.569 4.422 0.441
180 HD11 LEU 28 1HD1 LEU 28 -0.084 2.741 0.643
181 HD12 LEU 28 2HD1 LEU 28 -1.331 1.527 0.927
182 HD13 LEU 28 3HD1 LEU 28 -0.806 2.576 2.244
183 HD21 LEU 28 3HD2 LEU 28 -3.888 3.507 -0.316
184 HD22 LEU 28 1HD2 LEU 28 -3.106 1.934 -0.165
185 HD23 LEU 28 2HD2 LEU 28 -2.446 3.143 -1.266
186 H ILE 29 H ILE 29 -3.012 6.813 2.407
187 HA ILE 29 HA ILE 29 -0.960 7.785 0.855
188 HB ILE 29 HB ILE 29 -2.742 9.427 2.659
189 HG12 ILE 29 1HG1 ILE 29 -3.186 8.865 -0.265
190 HG13 ILE 29 2HG1 ILE 29 -3.804 7.780 0.976
191 HG21 ILE 29 1HG2 ILE 29 -2.312 10.992 0.533
192 HG22 ILE 29 2HG2 ILE 29 -1.292 11.023 1.971
193 HG23 ILE 29 3HG2 ILE 29 -0.787 10.108 0.550
194 HD11 ILE 29 3HD1 ILE 29 -5.460 9.421 0.166
195 HD12 ILE 29 1HD1 ILE 29 -5.160 9.524 1.901
196 HD13 ILE 29 2HD1 ILE 29 -4.447 10.712 0.810
197 H LYS 30 H LYS 30 -1.291 7.885 4.357
198 HA LYS 30 HA LYS 30 0.979 9.579 4.772
199 HB2 LYS 30 1HB LYS 30 0.478 9.460 7.009
200 HB3 LYS 30 2HB LYS 30 -1.088 9.042 6.326
201 HG2 LYS 30 1HG LYS 30 -0.525 6.649 6.610
202 HG3 LYS 30 2HG LYS 30 0.974 7.133 7.407
203 HD2 LYS 30 1HD LYS 30 -0.239 8.194 9.182
204 HD3 LYS 30 2HD LYS 30 -1.772 7.959 8.340
205 HE2 LYS 30 1HE LYS 30 -1.328 5.479 8.481
206 HE3 LYS 30 2HE LYS 30 0.007 5.863 9.566
207 HZ1 LYS 30 3HZ LYS 30 -1.439 6.670 11.180
208 HZ2 LYS 30 1HZ LYS 30 -2.238 5.298 10.594
209 HZ3 LYS 30 2HZ LYS 30 -2.730 6.838 10.099
210 H HIS 31 H HIS 31 0.491 6.199 4.295
211 HA HIS 31 HA HIS 31 2.913 5.309 5.522
212 HB2 HIS 31 1HB HIS 31 1.196 3.687 5.299
213 HB3 HIS 31 2HB HIS 31 0.984 4.036 3.586
214 HD1 HIS 31 HD1 HIS 31 3.055 2.063 5.957
215 HD2 HIS 31 HD2 HIS 31 2.912 2.861 1.883
216 HE1 HIS 31 HE1 HIS 31 4.572 0.367 4.886
217 H GLN 32 H GLN 32 1.934 6.017 2.187
218 HA GLN 32 HA GLN 32 4.162 5.218 0.803
219 HB2 GLN 32 1HB GLN 32 2.150 7.370 0.416
220 HB3 GLN 32 2HB GLN 32 3.604 7.446 -0.571
221 HG2 GLN 32 1HG GLN 32 1.618 6.258 -1.572
222 HG3 GLN 32 2HG GLN 32 3.150 5.386 -1.594
223 HE21 GLN 32 1HE2 GLN 32 2.933 3.327 -1.146
224 HE22 GLN 32 2HE2 GLN 32 1.789 2.629 -0.056
225 H LYS 33 H LYS 33 3.804 7.972 2.908
226 HA LYS 33 HA LYS 33 5.945 9.551 2.128
227 HB2 LYS 33 1HB LYS 33 4.878 9.028 4.907
228 HB3 LYS 33 2HB LYS 33 5.999 10.321 4.502
229 HG2 LYS 33 1HG LYS 33 4.301 11.225 2.932
230 HG3 LYS 33 2HG LYS 33 3.175 9.995 3.512
231 HD2 LYS 33 1HD LYS 33 3.027 10.950 5.626
232 HD3 LYS 33 2HD LYS 33 4.546 11.830 5.442
233 HE2 LYS 33 1HE LYS 33 3.565 13.416 3.999
234 HE3 LYS 33 2HE LYS 33 2.133 12.419 3.749
235 HZ1 LYS 33 3HZ LYS 33 2.854 13.549 6.391
236 HZ2 LYS 33 1HZ LYS 33 1.379 12.867 5.920
237 HZ3 LYS 33 2HZ LYS 33 1.859 14.361 5.290
238 H ILE 34 H ILE 34 5.906 6.591 4.004
239 HA ILE 34 HA ILE 34 8.528 6.705 5.015
240 HB ILE 34 HB ILE 34 8.284 4.488 5.647
241 HG12 ILE 34 1HG1 ILE 34 6.370 4.106 3.334
242 HG13 ILE 34 2HG1 ILE 34 8.042 3.560 3.385
243 HG21 ILE 34 1HG2 ILE 34 6.044 6.171 5.862
244 HG22 ILE 34 2HG2 ILE 34 5.425 4.555 5.522
245 HG23 ILE 34 3HG2 ILE 34 6.486 4.820 6.905
246 HD11 ILE 34 3HD1 ILE 34 5.870 2.625 5.245
247 HD12 ILE 34 1HD1 ILE 34 6.419 1.763 3.808
248 HD13 ILE 34 2HD1 ILE 34 7.524 2.018 5.159
249 H HIS 35 H HIS 35 7.363 6.210 1.849
250 HA HIS 35 HA HIS 35 9.863 4.947 0.981
251 HB2 HIS 35 1HB HIS 35 7.340 5.460 -0.607
252 HB3 HIS 35 2HB HIS 35 8.728 4.510 -1.129
253 HD1 HIS 35 HD1 HIS 35 9.217 2.588 1.054
254 HD2 HIS 35 HD2 HIS 35 5.369 3.720 -0.025
255 HE1 HIS 35 HE1 HIS 35 7.720 0.739 1.868
256 H THR 36 H THR 36 8.434 7.974 1.250
257 HA THR 36 HA THR 36 9.872 9.109 -1.029
258 HB THR 36 HB THR 36 8.618 11.085 -0.747
259 HG1 THR 36 HG1 THR 36 7.923 10.086 1.832
260 HG21 THR 36 3HG2 THR 36 7.176 9.493 -1.695
261 HG22 THR 36 1HG2 THR 36 6.230 10.222 -0.398
262 HG23 THR 36 2HG2 THR 36 6.971 8.638 -0.166
263 H GLY 37 H GLY 37 11.588 8.114 0.863
264 HA2 GLY 37 1HA GLY 37 12.412 10.326 2.578
265 HA3 GLY 37 2HA GLY 37 13.101 8.709 2.560
266 H GLU 38 H GLU 38 15.229 9.289 2.383
267 HA GLU 38 HA GLU 38 16.127 11.201 0.442
268 HB2 GLU 38 1HB GLU 38 17.663 9.222 2.133
269 HB3 GLU 38 2HB GLU 38 18.397 10.476 1.144
270 HG2 GLU 38 1HG GLU 38 17.111 12.155 2.487
271 HG3 GLU 38 2HG GLU 38 16.649 10.836 3.561
272 H LYS 39 H LYS 39 15.164 10.233 -1.458
273 HA LYS 39 HA LYS 39 16.910 8.172 -2.611
274 HB2 LYS 39 1HB LYS 39 13.898 8.213 -2.599
275 HB3 LYS 39 2HB LYS 39 14.808 7.315 -3.806
276 HG2 LYS 39 1HG LYS 39 15.303 6.895 -0.885
277 HG3 LYS 39 2HG LYS 39 13.974 6.080 -1.714
278 HD2 LYS 39 1HD LYS 39 15.884 5.476 -3.436
279 HD3 LYS 39 2HD LYS 39 16.915 5.733 -2.026
280 HE2 LYS 39 1HE LYS 39 14.495 3.955 -1.937
281 HE3 LYS 39 2HE LYS 39 16.074 3.361 -2.450
282 HZ1 LYS 39 3HZ LYS 39 15.162 3.508 0.119
283 HZ2 LYS 39 1HZ LYS 39 16.216 4.826 -0.002
284 HZ3 LYS 39 2HZ LYS 39 16.768 3.267 -0.355
285 HA PRO 40 HA PRO 40 17.217 10.946 -6.011
286 HB2 PRO 40 1HB PRO 40 17.880 9.189 -7.972
287 HB3 PRO 40 2HB PRO 40 19.005 9.678 -6.699
288 HG2 PRO 40 1HG PRO 40 17.336 7.201 -6.905
289 HG3 PRO 40 2HG PRO 40 19.027 7.372 -6.397
290 HD2 PRO 40 1HD PRO 40 16.995 7.094 -4.629
291 HD3 PRO 40 2HD PRO 40 18.450 8.045 -4.269
292 H SER 41 H SER 41 16.438 11.191 -8.321
293 HA SER 41 HA SER 41 13.611 10.839 -8.381
294 HB2 SER 41 1HB SER 41 15.553 11.840 -10.475
295 HB3 SER 41 2HB SER 41 13.799 11.866 -10.663
296 HG SER 41 HG SER 41 15.222 13.723 -9.590
297 H GLY 42 H GLY 42 16.104 9.740 -10.694
298 HA2 GLY 42 1HA GLY 42 16.280 7.776 -11.881
299 HA3 GLY 42 2HA GLY 42 15.092 7.079 -10.789
300 HA PRO 43 HA PRO 43 13.100 7.285 -14.931
301 HB2 PRO 43 1HB PRO 43 11.823 4.903 -14.672
302 HB3 PRO 43 2HB PRO 43 13.488 5.042 -15.248
303 HG2 PRO 43 1HG PRO 43 12.482 4.347 -12.516
304 HG3 PRO 43 2HG PRO 43 13.803 3.612 -13.442
305 HD2 PRO 43 1HD PRO 43 14.235 5.413 -11.466
306 HD3 PRO 43 2HD PRO 43 15.290 5.284 -12.888
307 H SER 44 H SER 44 11.838 6.502 -11.736
308 HA SER 44 HA SER 44 9.111 6.691 -12.219
309 HB2 SER 44 1HB SER 44 10.793 7.283 -9.796
310 HB3 SER 44 2HB SER 44 9.046 7.526 -9.766
311 HG SER 44 HG SER 44 9.110 5.475 -9.221
312 H SER 45 H SER 45 8.022 8.286 -13.141
313 HA SER 45 HA SER 45 9.029 10.943 -13.342
314 HB2 SER 45 1HB SER 45 7.521 9.777 -15.020
315 HB3 SER 45 2HB SER 45 6.192 10.061 -13.896
316 HG SER 45 HG SER 45 7.860 12.155 -14.804
317 H GLY 46 H GLY 46 7.537 12.845 -12.772
318 HA2 GLY 46 1HA GLY 46 6.289 12.417 -10.136
319 HA3 GLY 46 2HA GLY 46 7.476 13.694 -10.357
Start of MODEL 20
1 H1 GLY 1 H GLY 1 8.390 -23.584 11.987
2 HA2 GLY 1 1HA GLY 1 9.150 -21.415 11.930
3 HA3 GLY 1 2HA GLY 1 10.172 -21.992 10.622
4 H SER 2 H SER 2 7.385 -20.159 11.476
5 HA SER 2 HA SER 2 7.327 -18.960 8.851
6 HB2 SER 2 1HB SER 2 5.134 -20.751 9.828
7 HB3 SER 2 2HB SER 2 4.724 -19.349 8.841
8 HG SER 2 HG SER 2 5.823 -20.187 7.163
9 H SER 3 H SER 3 6.450 -16.916 8.852
10 HA SER 3 HA SER 3 5.634 -15.896 11.491
11 HB2 SER 3 1HB SER 3 6.904 -14.398 9.186
12 HB3 SER 3 2HB SER 3 6.470 -13.705 10.749
13 HG SER 3 HG SER 3 8.345 -14.349 11.408
14 H GLY 4 H GLY 4 5.172 -15.133 8.031
15 HA2 GLY 4 1HA GLY 4 3.318 -14.430 6.876
16 HA3 GLY 4 2HA GLY 4 2.381 -15.330 8.060
17 H SER 5 H SER 5 4.056 -12.235 7.583
18 HA SER 5 HA SER 5 3.246 -10.755 9.684
19 HB2 SER 5 1HB SER 5 3.495 -10.053 6.778
20 HB3 SER 5 2HB SER 5 2.927 -8.841 7.926
21 HG SER 5 HG SER 5 4.846 -8.886 8.950
22 H SER 6 H SER 6 1.251 -11.512 6.853
23 HA SER 6 HA SER 6 -1.111 -10.670 8.402
24 HB2 SER 6 1HB SER 6 -0.538 -10.348 5.455
25 HB3 SER 6 2HB SER 6 -2.162 -10.205 6.128
26 HG SER 6 HG SER 6 0.055 -8.528 6.436
27 H GLY 7 H GLY 7 -3.077 -11.842 7.983
28 HA2 GLY 7 1HA GLY 7 -2.863 -14.341 6.505
29 HA3 GLY 7 2HA GLY 7 -3.075 -14.494 8.243
30 H THR 8 H THR 8 -5.048 -13.978 9.178
31 HA THR 8 HA THR 8 -7.306 -14.161 7.394
32 HB THR 8 HB THR 8 -8.667 -14.227 9.455
33 HG1 THR 8 HG1 THR 8 -6.226 -13.444 10.570
34 HG21 THR 8 3HG2 THR 8 -8.129 -16.397 9.965
35 HG22 THR 8 1HG2 THR 8 -6.397 -16.073 10.014
36 HG23 THR 8 2HG2 THR 8 -7.225 -16.208 8.463
37 H GLY 9 H GLY 9 -5.898 -11.774 6.993
38 HA2 GLY 9 1HA GLY 9 -7.983 -9.843 7.744
39 HA3 GLY 9 2HA GLY 9 -6.302 -9.446 8.066
40 H GLU 10 H GLU 10 -8.799 -9.206 5.857
41 HA GLU 10 HA GLU 10 -6.932 -8.665 3.645
42 HB2 GLU 10 1HB GLU 10 -8.931 -10.399 3.511
43 HB3 GLU 10 2HB GLU 10 -9.866 -8.947 3.185
44 HG2 GLU 10 1HG GLU 10 -9.291 -9.754 1.081
45 HG3 GLU 10 2HG GLU 10 -8.145 -8.446 1.376
46 H ARG 11 H ARG 11 -6.724 -6.641 2.936
47 HA ARG 11 HA ARG 11 -8.660 -4.639 3.896
48 HB2 ARG 11 1HB ARG 11 -5.732 -4.309 3.218
49 HB3 ARG 11 2HB ARG 11 -6.811 -2.998 3.676
50 HG2 ARG 11 1HG ARG 11 -6.335 -5.369 5.453
51 HG3 ARG 11 2HG ARG 11 -5.299 -3.941 5.480
52 HD2 ARG 11 1HD ARG 11 -6.863 -3.544 7.169
53 HD3 ARG 11 2HD ARG 11 -7.461 -2.609 5.799
54 HE ARG 11 HE ARG 11 -9.303 -3.972 5.712
55 HH11 ARG 11 1HH1 ARG 11 -6.874 -5.442 7.727
56 HH12 ARG 11 2HH1 ARG 11 -7.921 -6.700 8.296
57 HH21 ARG 11 1HH2 ARG 11 -10.691 -5.622 6.454
58 HH22 ARG 11 2HH2 ARG 11 -10.092 -6.802 7.571
59 HA PRO 12 HA PRO 12 -9.730 -3.615 -0.237
60 HB2 PRO 12 1HB PRO 12 -10.243 -0.960 0.005
61 HB3 PRO 12 2HB PRO 12 -11.313 -2.208 0.653
62 HG2 PRO 12 1HG PRO 12 -9.249 -0.564 2.065
63 HG3 PRO 12 2HG PRO 12 -10.887 -0.994 2.590
64 HD2 PRO 12 1HD PRO 12 -8.682 -2.280 3.494
65 HD3 PRO 12 2HD PRO 12 -10.247 -3.095 3.289
66 H TYR 13 H TYR 13 -7.592 -1.168 1.241
67 HA TYR 13 HA TYR 13 -6.356 -0.692 -1.364
68 HB2 TYR 13 1HB TYR 13 -5.727 0.738 1.216
69 HB3 TYR 13 2HB TYR 13 -5.424 1.286 -0.429
70 HD1 TYR 13 HD1 TYR 13 -7.276 2.113 -1.823
71 HD2 TYR 13 HD2 TYR 13 -7.882 1.011 2.242
72 HE1 TYR 13 HE1 TYR 13 -9.423 3.313 -1.823
73 HE2 TYR 13 HE2 TYR 13 -10.031 2.206 2.252
74 HH TYR 13 HH TYR 13 -11.737 2.944 -0.171
75 H ILE 14 H ILE 14 -4.114 -0.849 -1.704
76 HA ILE 14 HA ILE 14 -2.499 -2.142 0.350
77 HB ILE 14 HB ILE 14 -2.888 -3.358 -2.388
78 HG12 ILE 14 1HG1 ILE 14 -3.588 -5.349 -0.892
79 HG13 ILE 14 2HG1 ILE 14 -3.785 -4.143 0.375
80 HG21 ILE 14 1HG2 ILE 14 -1.119 -4.730 -2.029
81 HG22 ILE 14 2HG2 ILE 14 -0.569 -3.359 -1.066
82 HG23 ILE 14 3HG2 ILE 14 -1.338 -4.737 -0.279
83 HD11 ILE 14 3HD1 ILE 14 -5.808 -3.704 -0.384
84 HD12 ILE 14 1HD1 ILE 14 -5.118 -3.183 -1.921
85 HD13 ILE 14 2HD1 ILE 14 -5.586 -4.868 -1.690
86 H CYS 15 H CYS 15 -0.414 -1.522 0.295
87 HA CYS 15 HA CYS 15 0.355 0.534 -1.556
88 HB2 CYS 15 1HB CYS 15 1.069 0.714 0.747
89 HB3 CYS 15 2HB CYS 15 1.869 -0.852 0.664
90 H THR 16 H THR 16 1.872 0.454 -3.168
91 HA THR 16 HA THR 16 2.629 -2.240 -4.059
92 HB THR 16 HB THR 16 3.066 -1.142 -6.269
93 HG1 THR 16 HG1 THR 16 1.809 1.006 -6.307
94 HG21 THR 16 3HG2 THR 16 0.289 -0.377 -5.837
95 HG22 THR 16 1HG2 THR 16 0.676 -1.953 -5.148
96 HG23 THR 16 2HG2 THR 16 0.964 -1.644 -6.860
97 H VAL 17 H VAL 17 3.904 0.696 -2.836
98 HA VAL 17 HA VAL 17 6.494 0.646 -3.929
99 HB VAL 17 HB VAL 17 5.644 1.695 -1.226
100 HG11 VAL 17 1HG1 VAL 17 7.640 3.276 -1.798
101 HG12 VAL 17 2HG1 VAL 17 7.947 1.682 -1.105
102 HG13 VAL 17 3HG1 VAL 17 8.145 1.945 -2.838
103 HG21 VAL 17 3HG2 VAL 17 4.547 2.523 -3.480
104 HG22 VAL 17 1HG2 VAL 17 4.990 3.656 -2.203
105 HG23 VAL 17 2HG2 VAL 17 6.046 3.444 -3.599
106 H CYS 18 H CYS 18 5.218 -0.704 -0.898
107 HA CYS 18 HA CYS 18 7.649 -2.363 -0.720
108 HB2 CYS 18 1HB CYS 18 7.321 -2.400 1.717
109 HB3 CYS 18 2HB CYS 18 7.525 -0.756 1.121
110 H GLY 19 H GLY 19 4.164 -2.249 -0.045
111 HA2 GLY 19 1HA GLY 19 2.840 -4.131 -0.922
112 HA3 GLY 19 2HA GLY 19 4.124 -5.188 -0.356
113 H LYS 20 H LYS 20 1.847 -2.742 0.873
114 HA LYS 20 HA LYS 20 1.447 -4.460 3.233
115 HB2 LYS 20 1HB LYS 20 2.028 -1.551 3.058
116 HB3 LYS 20 2HB LYS 20 0.854 -2.059 4.265
117 HG2 LYS 20 1HG LYS 20 2.588 -3.709 5.071
118 HG3 LYS 20 2HG LYS 20 3.738 -2.863 4.033
119 HD2 LYS 20 1HD LYS 20 3.714 -0.966 5.323
120 HD3 LYS 20 2HD LYS 20 2.082 -1.266 5.925
121 HE2 LYS 20 1HE LYS 20 4.230 -3.179 6.676
122 HE3 LYS 20 2HE LYS 20 4.223 -1.595 7.450
123 HZ1 LYS 20 3HZ LYS 20 2.155 -3.701 7.557
124 HZ2 LYS 20 1HZ LYS 20 1.786 -2.093 7.931
125 HZ3 LYS 20 2HZ LYS 20 2.943 -2.928 8.839
126 H ALA 21 H ALA 21 -0.623 -3.342 4.453
127 HA ALA 21 HA ALA 21 -2.714 -2.853 2.461
128 HB1 ALA 21 3HB ALA 21 -3.661 -4.627 4.550
129 HB2 ALA 21 1HB ALA 21 -3.820 -4.756 2.798
130 HB3 ALA 21 2HB ALA 21 -2.365 -5.351 3.598
131 H PHE 22 H PHE 22 -4.302 -1.488 3.127
132 HA PHE 22 HA PHE 22 -4.451 -0.772 5.961
133 HB2 PHE 22 1HB PHE 22 -4.233 1.297 3.767
134 HB3 PHE 22 2HB PHE 22 -4.353 1.603 5.496
135 HD1 PHE 22 HD2 PHE 22 -2.175 0.286 2.832
136 HD2 PHE 22 HD1 PHE 22 -2.447 1.524 6.896
137 HE1 PHE 22 HE2 PHE 22 0.279 0.255 3.003
138 HE2 PHE 22 HE1 PHE 22 0.007 1.495 7.072
139 HZ PHE 22 HZ PHE 22 1.373 0.859 5.125
140 H THR 23 H THR 23 -6.467 -0.255 6.662
141 HA THR 23 HA THR 23 -8.680 -0.973 5.035
142 HB THR 23 HB THR 23 -8.754 -1.323 7.444
143 HG1 THR 23 HG1 THR 23 -10.800 -1.130 6.802
144 HG21 THR 23 3HG2 THR 23 -7.435 0.671 8.087
145 HG22 THR 23 1HG2 THR 23 -8.929 0.517 9.011
146 HG23 THR 23 2HG2 THR 23 -8.822 1.686 7.695
147 H ASP 24 H ASP 24 -7.536 2.141 6.311
148 HA ASP 24 HA ASP 24 -9.454 3.523 4.576
149 HB2 ASP 24 1HB ASP 24 -9.253 4.080 7.053
150 HB3 ASP 24 2HB ASP 24 -7.684 4.784 6.669
151 H ARG 25 H ARG 25 -8.836 4.623 2.819
152 HA ARG 25 HA ARG 25 -6.412 4.266 1.577
153 HB2 ARG 25 1HB ARG 25 -8.253 5.070 0.300
154 HB3 ARG 25 2HB ARG 25 -8.425 6.494 1.316
155 HG2 ARG 25 1HG ARG 25 -7.442 7.243 -0.680
156 HG3 ARG 25 2HG ARG 25 -6.134 7.189 0.503
157 HD2 ARG 25 1HD ARG 25 -5.296 5.151 -0.406
158 HD3 ARG 25 2HD ARG 25 -6.718 4.954 -1.428
159 HE ARG 25 HE ARG 25 -5.170 7.350 -1.910
160 HH11 ARG 25 1HH1 ARG 25 -5.734 4.022 -2.762
161 HH12 ARG 25 2HH1 ARG 25 -5.013 4.165 -4.331
162 HH21 ARG 25 1HH2 ARG 25 -4.219 7.551 -3.974
163 HH22 ARG 25 2HH2 ARG 25 -4.151 6.173 -5.019
164 H SER 26 H SER 26 -7.388 6.902 3.724
165 HA SER 26 HA SER 26 -5.242 8.610 3.440
166 HB2 SER 26 1HB SER 26 -6.679 7.943 6.021
167 HB3 SER 26 2HB SER 26 -5.736 9.399 5.707
168 HG SER 26 HG SER 26 -7.711 8.884 3.858
169 H ASN 27 H ASN 27 -5.533 5.880 5.708
170 HA ASN 27 HA ASN 27 -3.059 6.092 6.937
171 HB2 ASN 27 1HB ASN 27 -4.975 3.865 6.454
172 HB3 ASN 27 2HB ASN 27 -3.351 3.434 6.982
173 HD21 ASN 27 1HD2 ASN 27 -5.993 5.658 7.770
174 HD22 ASN 27 2HD2 ASN 27 -5.794 5.560 9.483
175 H LEU 28 H LEU 28 -3.883 4.856 3.784
176 HA LEU 28 HA LEU 28 -1.342 3.588 3.336
177 HB2 LEU 28 1HB LEU 28 -3.233 2.698 2.195
178 HB3 LEU 28 2HB LEU 28 -3.646 4.276 1.527
179 HG LEU 28 HG LEU 28 -1.553 4.173 0.173
180 HD11 LEU 28 1HD1 LEU 28 -0.086 2.481 0.283
181 HD12 LEU 28 2HD1 LEU 28 -1.346 1.265 0.488
182 HD13 LEU 28 3HD1 LEU 28 -0.792 2.202 1.875
183 HD21 LEU 28 3HD2 LEU 28 -3.541 1.939 -0.219
184 HD22 LEU 28 1HD2 LEU 28 -2.428 2.546 -1.445
185 HD23 LEU 28 2HD2 LEU 28 -3.695 3.595 -0.809
186 H ILE 29 H ILE 29 -2.887 6.622 2.370
187 HA ILE 29 HA ILE 29 -0.817 7.532 0.684
188 HB ILE 29 HB ILE 29 -2.756 9.215 2.273
189 HG12 ILE 29 1HG1 ILE 29 -3.106 8.399 -0.598
190 HG13 ILE 29 2HG1 ILE 29 -3.665 7.353 0.703
191 HG21 ILE 29 1HG2 ILE 29 -1.065 9.788 -0.150
192 HG22 ILE 29 2HG2 ILE 29 -2.402 10.813 0.371
193 HG23 ILE 29 3HG2 ILE 29 -1.006 10.583 1.423
194 HD11 ILE 29 3HD1 ILE 29 -4.498 10.226 0.438
195 HD12 ILE 29 1HD1 ILE 29 -5.383 8.886 -0.291
196 HD13 ILE 29 2HD1 ILE 29 -5.205 8.976 1.462
197 H LYS 30 H LYS 30 -1.380 7.846 4.145
198 HA LYS 30 HA LYS 30 0.799 9.664 4.566
199 HB2 LYS 30 1HB LYS 30 0.181 9.672 6.795
200 HB3 LYS 30 2HB LYS 30 -1.340 9.264 6.014
201 HG2 LYS 30 1HG LYS 30 -0.954 6.899 6.500
202 HG3 LYS 30 2HG LYS 30 0.567 7.315 7.294
203 HD2 LYS 30 1HD LYS 30 -0.820 8.826 8.803
204 HD3 LYS 30 2HD LYS 30 -2.236 8.002 8.146
205 HE2 LYS 30 1HE LYS 30 -1.845 6.707 9.987
206 HE3 LYS 30 2HE LYS 30 -0.862 5.850 8.801
207 HZ1 LYS 30 3HZ LYS 30 1.073 6.609 9.720
208 HZ2 LYS 30 1HZ LYS 30 0.116 6.499 11.110
209 HZ3 LYS 30 2HZ LYS 30 0.369 8.000 10.374
210 H HIS 31 H HIS 31 0.414 6.227 4.423
211 HA HIS 31 HA HIS 31 2.828 5.586 5.832
212 HB2 HIS 31 1HB HIS 31 1.382 3.798 5.909
213 HB3 HIS 31 2HB HIS 31 0.789 4.069 4.274
214 HD1 HIS 31 HD1 HIS 31 3.624 2.470 6.150
215 HD2 HIS 31 HD2 HIS 31 2.138 2.697 2.277
216 HE1 HIS 31 HE1 HIS 31 4.893 0.738 4.841
217 H GLN 32 H GLN 32 1.879 5.807 2.426
218 HA GLN 32 HA GLN 32 4.217 4.883 1.250
219 HB2 GLN 32 1HB GLN 32 2.093 6.808 0.386
220 HB3 GLN 32 2HB GLN 32 3.528 6.601 -0.609
221 HG2 GLN 32 1HG GLN 32 3.039 4.134 -0.604
222 HG3 GLN 32 2HG GLN 32 1.489 4.527 0.138
223 HE21 GLN 32 1HE2 GLN 32 1.773 3.230 -2.327
224 HE22 GLN 32 2HE2 GLN 32 1.139 4.260 -3.561
225 H LYS 33 H LYS 33 3.701 7.717 3.067
226 HA LYS 33 HA LYS 33 5.616 9.438 1.922
227 HB2 LYS 33 1HB LYS 33 4.554 9.246 4.744
228 HB3 LYS 33 2HB LYS 33 5.600 10.543 4.181
229 HG2 LYS 33 1HG LYS 33 3.807 10.905 2.367
230 HG3 LYS 33 2HG LYS 33 2.770 9.942 3.422
231 HD2 LYS 33 1HD LYS 33 3.076 11.505 5.229
232 HD3 LYS 33 2HD LYS 33 4.262 12.416 4.292
233 HE2 LYS 33 1HE LYS 33 2.388 13.694 3.957
234 HE3 LYS 33 2HE LYS 33 2.288 12.606 2.574
235 HZ1 LYS 33 3HZ LYS 33 0.493 11.554 3.415
236 HZ2 LYS 33 1HZ LYS 33 0.264 13.027 4.216
237 HZ3 LYS 33 2HZ LYS 33 0.983 11.727 5.025
238 H ILE 34 H ILE 34 5.901 6.676 3.986
239 HA ILE 34 HA ILE 34 8.449 7.218 5.087
240 HB ILE 34 HB ILE 34 8.488 5.006 5.842
241 HG12 ILE 34 1HG1 ILE 34 6.527 4.294 3.649
242 HG13 ILE 34 2HG1 ILE 34 8.251 3.938 3.628
243 HG21 ILE 34 1HG2 ILE 34 6.108 6.493 6.026
244 HG22 ILE 34 2HG2 ILE 34 5.634 4.807 5.818
245 HG23 ILE 34 3HG2 ILE 34 6.707 5.264 7.141
246 HD11 ILE 34 3HD1 ILE 34 7.109 1.956 4.246
247 HD12 ILE 34 1HD1 ILE 34 7.905 2.576 5.692
248 HD13 ILE 34 2HD1 ILE 34 6.169 2.805 5.473
249 H HIS 35 H HIS 35 7.405 6.020 2.002
250 HA HIS 35 HA HIS 35 10.026 5.023 1.274
251 HB2 HIS 35 1HB HIS 35 7.634 5.420 -0.527
252 HB3 HIS 35 2HB HIS 35 9.029 4.385 -0.814
253 HD1 HIS 35 HD1 HIS 35 9.244 2.607 1.483
254 HD2 HIS 35 HD2 HIS 35 5.532 3.863 0.104
255 HE1 HIS 35 HE1 HIS 35 7.600 0.905 2.333
256 H THR 36 H THR 36 8.469 8.007 1.328
257 HA THR 36 HA THR 36 9.951 9.105 -0.932
258 HB THR 36 HB THR 36 8.630 11.022 -0.780
259 HG1 THR 36 HG1 THR 36 8.028 10.251 1.900
260 HG21 THR 36 3HG2 THR 36 6.287 10.221 -0.397
261 HG22 THR 36 1HG2 THR 36 6.963 8.699 0.183
262 HG23 THR 36 2HG2 THR 36 7.235 9.206 -1.484
263 H GLY 37 H GLY 37 11.617 8.174 1.080
264 HA2 GLY 37 1HA GLY 37 12.359 10.096 2.998
265 HA3 GLY 37 2HA GLY 37 13.391 8.810 2.390
266 H GLU 38 H GLU 38 13.688 11.823 2.976
267 HA GLU 38 HA GLU 38 14.707 12.664 0.355
268 HB2 GLU 38 1HB GLU 38 13.922 14.157 2.839
269 HB3 GLU 38 2HB GLU 38 14.971 14.904 1.642
270 HG2 GLU 38 1HG GLU 38 13.301 14.801 -0.025
271 HG3 GLU 38 2HG GLU 38 12.294 13.733 0.951
272 H LYS 39 H LYS 39 16.809 12.567 -0.044
273 HA LYS 39 HA LYS 39 18.656 12.045 2.154
274 HB2 LYS 39 1HB LYS 39 18.565 10.719 -0.055
275 HB3 LYS 39 2HB LYS 39 19.374 12.109 -0.768
276 HG2 LYS 39 1HG LYS 39 21.050 10.532 -0.223
277 HG3 LYS 39 2HG LYS 39 21.166 11.833 0.964
278 HD2 LYS 39 1HD LYS 39 19.779 10.435 2.508
279 HD3 LYS 39 2HD LYS 39 19.912 9.117 1.341
280 HE2 LYS 39 1HE LYS 39 22.292 10.507 2.553
281 HE3 LYS 39 2HE LYS 39 21.561 9.060 3.244
282 HZ1 LYS 39 3HZ LYS 39 23.533 9.044 1.428
283 HZ2 LYS 39 1HZ LYS 39 22.179 8.872 0.428
284 HZ3 LYS 39 2HZ LYS 39 22.456 7.763 1.674
285 HA PRO 40 HA PRO 40 20.090 16.223 2.241
286 HB2 PRO 40 1HB PRO 40 22.382 15.793 3.630
287 HB3 PRO 40 2HB PRO 40 20.784 15.770 4.384
288 HG2 PRO 40 1HG PRO 40 22.488 13.478 3.487
289 HG3 PRO 40 2HG PRO 40 21.542 13.653 4.977
290 HD2 PRO 40 1HD PRO 40 20.668 12.213 2.857
291 HD3 PRO 40 2HD PRO 40 19.564 13.089 3.936
292 H SER 41 H SER 41 21.385 13.764 0.422
293 HA SER 41 HA SER 41 23.921 14.694 -0.304
294 HB2 SER 41 1HB SER 41 21.880 13.086 -1.848
295 HB3 SER 41 2HB SER 41 23.513 13.397 -2.439
296 HG SER 41 HG SER 41 22.910 12.158 0.043
297 H GLY 42 H GLY 42 24.276 15.287 -2.792
298 HA2 GLY 42 1HA GLY 42 23.512 16.649 -4.622
299 HA3 GLY 42 2HA GLY 42 22.409 17.449 -3.511
300 HA PRO 43 HA PRO 43 26.888 19.151 -2.692
301 HB2 PRO 43 1HB PRO 43 28.652 18.751 -4.717
302 HB3 PRO 43 2HB PRO 43 28.473 17.629 -3.362
303 HG2 PRO 43 1HG PRO 43 27.332 17.460 -6.125
304 HG3 PRO 43 2HG PRO 43 28.073 16.185 -5.140
305 HD2 PRO 43 1HD PRO 43 25.391 16.457 -5.393
306 HD3 PRO 43 2HD PRO 43 26.153 15.844 -3.912
307 H SER 44 H SER 44 25.463 20.959 -3.124
308 HA SER 44 HA SER 44 26.281 22.425 -5.524
309 HB2 SER 44 1HB SER 44 24.074 21.404 -6.003
310 HB3 SER 44 2HB SER 44 23.408 22.222 -4.589
311 HG SER 44 HG SER 44 24.629 23.557 -6.774
312 H SER 45 H SER 45 27.079 24.325 -4.951
313 HA SER 45 HA SER 45 26.383 25.433 -2.332
314 HB2 SER 45 1HB SER 45 28.362 26.921 -2.729
315 HB3 SER 45 2HB SER 45 28.756 25.203 -2.715
316 HG SER 45 HG SER 45 28.776 25.250 -4.984
317 H GLY 46 H GLY 46 24.873 26.948 -2.226
318 HA2 GLY 46 1HA GLY 46 23.872 28.272 -4.554
319 HA3 GLY 46 2HA GLY 46 23.379 28.571 -2.894