Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
543829 | 2lid RC | 17889 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLU 1 H1 GLU 1 9.847 13.472 7.556
2 H2 GLU 1 H2 GLU 1 10.000 15.146 7.367
3 H3 GLU 1 H3 GLU 1 11.380 14.188 7.568
4 HA GLU 1 HA GLU 1 9.528 14.116 5.258
5 HB2 GLU 1 HB2 GLU 1 12.392 15.073 5.452
6 HB3 GLU 1 HB3 GLU 1 11.414 15.037 3.991
7 HG2 GLU 1 HG2 GLU 1 9.870 16.652 5.005
8 HG3 GLU 1 HG3 GLU 1 10.890 16.707 6.440
9 H HIS 2 HN HIS 2 12.896 13.243 6.032
10 HA HIS 2 HA HIS 2 12.437 10.657 4.707
11 HB2 HIS 2 HB2 HIS 2 15.011 12.164 5.216
12 HB3 HIS 2 HB3 HIS 2 14.914 10.572 4.472
13 HD1 HIS 2 HD1 HIS 2 14.249 14.192 3.794
14 HD2 HIS 2 HD2 HIS 2 14.083 10.547 1.806
15 HE1 HIS 2 HE1 HIS 2 13.943 14.765 1.365
16 HE2 HIS 2 HE2 HIS 2 13.944 12.546 0.171
17 H LYS 3 HN LYS 3 14.053 8.924 5.601
18 HA LYS 3 HA LYS 3 14.537 7.483 7.294
19 HB2 LYS 3 HB2 LYS 3 16.068 9.368 7.900
20 HB3 LYS 3 HB3 LYS 3 14.819 9.979 8.976
21 HG2 LYS 3 HG2 LYS 3 16.299 8.804 10.354
22 HG3 LYS 3 HG3 LYS 3 14.925 7.720 10.133
23 HD2 LYS 3 HD2 LYS 3 16.120 6.414 8.529
24 HD3 LYS 3 HD3 LYS 3 17.434 7.589 8.470
25 HE2 LYS 3 HE2 LYS 3 18.083 5.666 9.798
26 HE3 LYS 3 HE3 LYS 3 17.962 7.102 10.817
27 HZ1 LYS 3 HZ1 LYS 3 16.957 5.224 11.907
28 HZ2 LYS 3 HZ2 LYS 3 15.943 4.935 10.585
29 HZ3 LYS 3 HZ3 LYS 3 15.751 6.341 11.506
30 H HIS 4 HN HIS 4 12.643 6.399 7.594
31 HA HIS 4 HA HIS 4 10.354 7.463 8.847
32 HB2 HIS 4 HB2 HIS 4 9.666 5.032 9.043
33 HB3 HIS 4 HB3 HIS 4 10.047 5.592 7.417
34 HD1 HIS 4 HD1 HIS 4 12.531 4.907 6.558
35 HD2 HIS 4 HD2 HIS 4 11.030 2.815 9.818
36 HE1 HIS 4 HE1 HIS 4 13.926 2.821 6.718
37 HE2 HIS 4 HE2 HIS 4 12.951 1.535 8.652
38 H SER 5 HN SER 5 13.302 6.644 10.164
39 HA SER 5 HA SER 5 14.085 6.382 12.281
40 HB2 SER 5 HB2 SER 5 12.831 8.486 12.623
41 HB3 SER 5 HB3 SER 5 11.403 7.549 13.061
42 HG SER 5 HG SER 5 12.241 7.140 14.961
43 H ASP 6 HN ASP 6 12.325 4.274 11.010
44 HA ASP 6 HA ASP 6 11.614 2.177 11.514
45 HB2 ASP 6 HB2 ASP 6 12.763 2.716 14.260
46 HB3 ASP 6 HB3 ASP 6 12.343 1.140 13.600
47 H GLU 7 HN GLU 7 9.582 1.570 11.780
48 HA GLU 7 HA GLU 7 8.085 2.062 14.153
49 HB2 GLU 7 HB2 GLU 7 7.943 4.303 13.096
50 HB3 GLU 7 HB3 GLU 7 7.216 3.565 11.674
51 HG2 GLU 7 HG2 GLU 7 5.335 2.802 13.056
52 HG3 GLU 7 HG3 GLU 7 6.056 3.605 14.450
53 H SER 8 HN SER 8 7.079 1.917 10.752
54 HA SER 8 HA SER 8 5.625 -0.558 11.345
55 HB2 SER 8 HB2 SER 8 5.422 1.314 8.969
56 HB3 SER 8 HB3 SER 8 4.424 -0.117 9.229
57 HG SER 8 HG SER 8 4.365 2.360 10.505
58 H THR 9 HN THR 9 8.484 0.522 10.014
59 HA THR 9 HA THR 9 10.154 -0.433 8.814
60 HB THR 9 HB THR 9 8.799 -3.103 9.136
61 HG1 THR 9 HG1 THR 9 10.459 -1.924 11.115
62 HG21 THR 9 HG21 THR 9 11.115 -3.893 9.360
63 HG22 THR 9 HG22 THR 9 11.696 -2.239 9.169
64 HG23 THR 9 HG23 THR 9 10.869 -3.044 7.834
65 H SER 10 HN SER 10 7.368 0.161 7.608
66 HA SER 10 HA SER 10 8.063 -0.737 4.942
67 HB2 SER 10 HB2 SER 10 5.399 -1.458 6.188
68 HB3 SER 10 HB3 SER 10 5.829 -1.688 4.493
69 HG SER 10 HG SER 10 6.685 -3.503 5.075
70 H GLU 11 HN GLU 11 7.064 1.574 7.000
71 HA GLU 11 HA GLU 11 6.260 3.675 6.784
72 HB2 GLU 11 HB2 GLU 11 6.740 3.135 3.860
73 HB3 GLU 11 HB3 GLU 11 6.303 4.708 4.511
74 HG2 GLU 11 HG2 GLU 11 8.344 4.680 5.882
75 HG3 GLU 11 HG3 GLU 11 8.789 3.139 5.153
76 H SEP 12 HN SER 12 4.911 2.707 3.722
77 HA SEP 12 HA SER 12 2.290 2.207 4.807
78 HB2 SEP 12 HB2 SER 12 2.847 4.716 3.218
79 HB3 SEP 12 HB3 SER 12 1.228 4.071 3.494
80 H PHE 13 HN PHE 13 4.469 1.178 2.896
81 HA PHE 13 HA PHE 13 2.735 -0.169 1.121
82 HB2 PHE 13 HB2 PHE 13 3.632 0.741 -1.017
83 HB3 PHE 13 HB3 PHE 13 2.660 1.903 -0.117
84 HD1 PHE 13 HD2 PHE 13 3.791 3.734 1.133
85 HD2 PHE 13 HD1 PHE 13 5.898 1.154 -1.517
86 HE1 PHE 13 HE2 PHE 13 5.644 5.350 1.038
87 HE2 PHE 13 HE1 PHE 13 7.754 2.766 -1.615
88 HZ PHE 13 HZ PHE 13 7.625 4.870 -0.348
89 H GLU 14 HN GLU 14 3.660 -1.979 0.379
90 HA GLU 14 HA GLU 14 6.383 -2.322 -0.216
91 HB2 GLU 14 HB2 GLU 14 6.627 -2.143 2.233
92 HB3 GLU 14 HB3 GLU 14 5.493 -3.470 2.439
93 HG2 GLU 14 HG2 GLU 14 7.017 -4.980 1.325
94 HG3 GLU 14 HG3 GLU 14 8.142 -3.656 1.031
95 H SER 15 HN SER 15 4.934 -3.066 -1.970
96 HA SER 15 HA SER 15 3.180 -5.156 -1.928
97 HB2 SER 15 HB2 SER 15 5.266 -4.618 -4.054
98 HB3 SER 15 HB3 SER 15 3.818 -5.603 -4.268
99 HG SER 15 HG SER 15 4.032 -3.023 -4.619
100 H ILE 16 HN ILE 16 3.326 -7.107 -1.083
101 HA ILE 16 HA ILE 16 5.924 -8.488 -1.067
102 HB ILE 16 HB ILE 16 3.547 -9.473 0.465
103 HG12 ILE 16 HG12 ILE 16 5.457 -7.411 1.573
104 HG13 ILE 16 HG13 ILE 16 3.872 -6.997 0.927
105 HG21 ILE 16 HG21 ILE 16 6.521 -9.550 0.950
106 HG22 ILE 16 HG22 ILE 16 5.297 -10.277 1.991
107 HG23 ILE 16 HG23 ILE 16 5.523 -10.871 0.345
108 HD11 ILE 16 HD11 ILE 16 4.448 -8.782 3.276
109 HD12 ILE 16 HD12 ILE 16 3.745 -7.165 3.315
110 HD13 ILE 16 HD13 ILE 16 2.846 -8.501 2.594
111 H ALA 17 HN ALA 17 2.617 -8.670 -2.127
112 HA ALA 17 HA ALA 17 3.256 -10.853 -3.913
113 HB1 ALA 17 HB1 ALA 17 1.518 -12.341 -3.110
114 HB2 ALA 17 HB2 ALA 17 2.649 -11.989 -1.805
115 HB3 ALA 17 HB3 ALA 17 1.077 -11.189 -1.847
116 H ASP 18 HN ASP 18 0.410 -11.493 -4.261
117 HA ASP 18 HA ASP 18 -0.612 -8.973 -5.382
118 HB2 ASP 18 HB2 ASP 18 0.442 -10.471 -7.134
119 HB3 ASP 18 HB3 ASP 18 -0.807 -11.658 -6.767
120 H ASN 19 HN ASN 19 -1.102 -10.621 -2.956
121 HA ASN 19 HA ASN 19 -4.005 -10.733 -3.152
122 HB2 ASN 19 HB2 ASN 19 -4.192 -12.945 -2.273
123 HB3 ASN 19 HB3 ASN 19 -3.068 -13.047 -3.622
124 HD21 ASN 19 HD21 ASN 19 -0.899 -11.794 -2.083
125 HD22 ASN 19 HD22 ASN 19 -0.334 -13.004 -0.988
126 H ASN 20 HN ASN 20 -1.148 -10.049 -1.565
127 HA ASN 20 HA ASN 20 -2.466 -9.796 1.051
128 HB2 ASN 20 HB2 ASN 20 -0.368 -11.176 0.923
129 HB3 ASN 20 HB3 ASN 20 0.500 -9.716 0.461
130 HD21 ASN 20 HD21 ASN 20 -2.141 -9.717 2.725
131 HD22 ASN 20 HD22 ASN 20 -1.199 -9.364 4.126
132 H ASP 21 HN ASP 21 -0.117 -8.131 -1.042
133 HA ASP 21 HA ASP 21 -0.135 -5.664 0.234
134 HB2 ASP 21 HB2 ASP 21 0.747 -4.743 -1.824
135 HB3 ASP 21 HB3 ASP 21 1.436 -6.349 -1.593
136 H ASP 22 HN ASP 22 -2.387 -7.130 -1.970
137 HA ASP 22 HA ASP 22 -3.896 -4.711 -2.388
138 HB2 ASP 22 HB2 ASP 22 -4.241 -7.585 -3.199
139 HB3 ASP 22 HB3 ASP 22 -5.497 -6.385 -3.505
140 H SER 23 HN SER 23 -3.592 -5.468 0.368
141 HA SER 23 HA SER 23 -6.356 -5.404 1.144
142 HB2 SER 23 HB2 SER 23 -5.986 -7.837 0.819
143 HB3 SER 23 HB3 SER 23 -4.697 -7.777 2.019
144 HG SER 23 HG SER 23 -7.002 -8.361 2.654
145 H TYR 24 HN TYR 24 -2.966 -5.673 2.147
146 HA TYR 24 HA TYR 24 -3.640 -4.543 4.750
147 HB2 TYR 24 HB2 TYR 24 -1.709 -5.439 5.548
148 HB3 TYR 24 HB3 TYR 24 -1.927 -6.497 4.164
149 HD1 TYR 24 HD2 TYR 24 -0.496 -6.284 2.193
150 HD2 TYR 24 HD1 TYR 24 0.073 -3.807 5.605
151 HE1 TYR 24 HE2 TYR 24 1.728 -5.652 1.355
152 HE2 TYR 24 HE1 TYR 24 2.297 -3.166 4.775
153 HH TYR 24 HH TYR 24 4.026 -4.055 3.267
154 H PHE 25 HN PHE 25 -1.659 -3.732 1.917
155 HA PHE 25 HA PHE 25 -1.119 -1.100 3.072
156 HB2 PHE 25 HB2 PHE 25 0.852 -1.281 2.041
157 HB3 PHE 25 HB3 PHE 25 0.371 -2.870 1.461
158 HD1 PHE 25 HD2 PHE 25 0.462 0.722 0.608
159 HD2 PHE 25 HD1 PHE 25 -0.124 -3.248 -0.805
160 HE1 PHE 25 HE2 PHE 25 0.555 1.542 -1.711
161 HE2 PHE 25 HE1 PHE 25 -0.030 -2.438 -3.127
162 HZ PHE 25 HZ PHE 25 0.308 -0.041 -3.582
163 H GLN 26 HN GLN 26 -2.749 -2.615 0.345
164 HA GLN 26 HA GLN 26 -3.367 -0.254 -1.063
165 HB2 GLN 26 HB2 GLN 26 -3.510 -2.546 -2.013
166 HB3 GLN 26 HB3 GLN 26 -4.920 -2.847 -1.009
167 HG2 GLN 26 HG2 GLN 26 -6.176 -1.166 -2.166
168 HG3 GLN 26 HG3 GLN 26 -4.750 -0.673 -3.078
169 HE21 GLN 26 HE21 GLN 26 -7.186 -3.123 -2.663
170 HE22 GLN 26 HE22 GLN 26 -6.919 -3.927 -4.169
171 H ARG 27 HN ARG 27 -5.607 -2.277 0.833
172 HA ARG 27 HA ARG 27 -7.620 -1.771 1.783
173 HB2 ARG 27 HB2 ARG 27 -5.715 -0.994 3.363
174 HB3 ARG 27 HB3 ARG 27 -6.233 0.630 2.931
175 HG2 ARG 27 HG2 ARG 27 -8.516 0.047 3.700
176 HG3 ARG 27 HG3 ARG 27 -7.886 -1.509 4.243
177 HD2 ARG 27 HD2 ARG 27 -6.355 -0.375 5.763
178 HD3 ARG 27 HD3 ARG 27 -6.929 1.191 5.192
179 HE ARG 27 HE ARG 27 -9.121 -0.278 6.130
180 HH11 ARG 27 HH12 ARG 27 -6.243 1.270 7.342
181 HH12 ARG 27 HH11 ARG 27 -6.923 1.599 8.902
182 HH21 ARG 27 HH22 ARG 27 -10.023 0.153 8.177
183 HH22 ARG 27 HH21 ARG 27 -9.071 0.964 9.376
184 H LYS 28 HN LYS 28 -7.824 -0.942 -0.733
185 HA LYS 28 HA LYS 28 -8.882 0.466 -2.168
186 HB2 LYS 28 HB2 LYS 28 -10.325 0.997 0.410
187 HB3 LYS 28 HB3 LYS 28 -10.802 1.778 -1.093
188 HG2 LYS 28 HG2 LYS 28 -10.534 -1.191 -0.862
189 HG3 LYS 28 HG3 LYS 28 -12.030 -0.346 -0.452
190 HD2 LYS 28 HD2 LYS 28 -12.069 0.618 -2.718
191 HD3 LYS 28 HD3 LYS 28 -10.605 -0.287 -3.110
192 HE2 LYS 28 HE2 LYS 28 -13.273 -1.459 -2.334
193 HE3 LYS 28 HE3 LYS 28 -12.585 -1.425 -3.957
194 HZ1 LYS 28 HZ1 LYS 28 -11.451 -2.858 -1.616
195 HZ2 LYS 28 HZ2 LYS 28 -10.757 -2.803 -3.158
196 HZ3 LYS 28 HZ3 LYS 28 -12.246 -3.570 -2.929
197 HA PRO 29 HA PRO 29 -6.250 4.123 -1.210
198 HB2 PRO 29 HB2 PRO 29 -5.715 4.078 -4.086
199 HB3 PRO 29 HB3 PRO 29 -4.581 3.967 -2.739
200 HG2 PRO 29 HG2 PRO 29 -5.113 1.866 -4.345
201 HG3 PRO 29 HG3 PRO 29 -4.739 1.671 -2.623
202 HD2 PRO 29 HD2 PRO 29 -7.404 1.639 -3.998
203 HD3 PRO 29 HD3 PRO 29 -6.787 0.573 -2.715
204 H LYS 30 HN LYS 30 -8.923 3.552 -3.274
205 HA LYS 30 HA LYS 30 -9.138 6.361 -4.050
206 HB2 LYS 30 HB2 LYS 30 -10.964 5.656 -5.483
207 HB3 LYS 30 HB3 LYS 30 -9.563 4.629 -5.750
208 HG2 LYS 30 HG2 LYS 30 -10.566 2.886 -4.372
209 HG3 LYS 30 HG3 LYS 30 -11.968 3.920 -4.084
210 HD2 LYS 30 HD2 LYS 30 -12.426 3.945 -6.500
211 HD3 LYS 30 HD3 LYS 30 -11.049 2.874 -6.763
212 HE2 LYS 30 HE2 LYS 30 -12.116 1.154 -5.402
213 HE3 LYS 30 HE3 LYS 30 -13.480 2.228 -5.097
214 HZ1 LYS 30 HZ1 LYS 30 -13.920 2.242 -7.497
215 HZ2 LYS 30 HZ2 LYS 30 -14.023 0.685 -6.844
216 HZ3 LYS 30 HZ3 LYS 30 -12.660 1.138 -7.736
217 H LEU 31 HN LEU 31 -11.644 7.026 -4.084
218 HA LEU 31 HA LEU 31 -12.491 6.862 -1.279
219 HB2 LEU 31 HB2 LEU 31 -13.149 8.853 -3.449
220 HB3 LEU 31 HB3 LEU 31 -13.885 8.865 -1.859
221 HG LEU 31 HG LEU 31 -11.520 9.108 -0.928
222 HD11 LEU 31 HD11 LEU 31 -9.897 10.130 -2.485
223 HD12 LEU 31 HD12 LEU 31 -10.261 8.450 -2.875
224 HD13 LEU 31 HD13 LEU 31 -10.982 9.751 -3.823
225 HD21 LEU 31 HD21 LEU 31 -12.677 11.314 -2.626
226 HD22 LEU 31 HD22 LEU 31 -13.131 10.932 -0.967
227 HD23 LEU 31 HD23 LEU 31 -11.509 11.524 -1.323
228 H THR 32 HN THR 32 -15.059 7.409 -1.258
229 HA THR 32 HA THR 32 -16.258 5.092 -2.561
230 HB THR 32 HB THR 32 -18.200 5.524 -1.099
231 HG1 THR 32 HG1 THR 32 -16.684 7.820 -0.480
232 HG21 THR 32 HG21 THR 32 -15.552 5.515 0.356
233 HG22 THR 32 HG22 THR 32 -16.389 4.099 -0.283
234 HG23 THR 32 HG23 THR 32 -17.102 5.023 1.040
235 H GLU 33 HN GLU 33 -16.977 5.441 -4.568
236 HA GLU 33 HA GLU 33 -18.219 8.014 -5.218
237 HB2 GLU 33 HB2 GLU 33 -17.129 5.789 -6.935
238 HB3 GLU 33 HB3 GLU 33 -18.086 7.108 -7.596
239 HG2 GLU 33 HG2 GLU 33 -15.735 7.545 -7.897
240 HG3 GLU 33 HG3 GLU 33 -16.430 8.713 -6.776
241 H ALA 34 HN ALA 34 -18.804 4.643 -6.223
242 HA ALA 34 HA ALA 34 -20.717 3.469 -6.579
243 HB1 ALA 34 HB1 ALA 34 -20.942 3.741 -4.154
244 HB2 ALA 34 HB2 ALA 34 -21.822 5.249 -4.407
245 HB3 ALA 34 HB3 ALA 34 -22.513 3.721 -4.956
246 HA PRO 35 HA PRO 35 -22.462 6.856 -9.238
247 HB2 PRO 35 HB2 PRO 35 -22.079 5.622 -11.609
248 HB3 PRO 35 HB3 PRO 35 -20.810 6.564 -10.818
249 HG2 PRO 35 HG2 PRO 35 -21.213 3.598 -10.869
250 HG3 PRO 35 HG3 PRO 35 -19.714 4.526 -11.056
251 HD2 PRO 35 HD2 PRO 35 -20.440 3.328 -8.722
252 HD3 PRO 35 HD3 PRO 35 -19.459 4.807 -8.789
Start of MODEL 2
1 H1 GLU 1 H1 GLU 1 1.175 17.486 -11.931
2 H2 GLU 1 H2 GLU 1 -0.056 16.629 -11.149
3 H3 GLU 1 H3 GLU 1 -0.115 16.852 -12.824
4 HA GLU 1 HA GLU 1 0.563 14.613 -12.295
5 HB2 GLU 1 HB2 GLU 1 1.450 15.768 -14.313
6 HB3 GLU 1 HB3 GLU 1 2.854 16.262 -13.378
7 HG2 GLU 1 HG2 GLU 1 3.459 13.921 -13.041
8 HG3 GLU 1 HG3 GLU 1 2.048 13.423 -13.973
9 H HIS 2 HN HIS 2 1.079 13.569 -10.496
10 HA HIS 2 HA HIS 2 2.772 14.617 -8.483
11 HB2 HIS 2 HB2 HIS 2 1.796 11.785 -8.901
12 HB3 HIS 2 HB3 HIS 2 2.538 12.400 -7.427
13 HD1 HIS 2 HD1 HIS 2 -0.657 11.687 -8.748
14 HD2 HIS 2 HD2 HIS 2 0.895 14.798 -6.471
15 HE1 HIS 2 HE1 HIS 2 -2.643 12.775 -7.655
16 HE2 HIS 2 HE2 HIS 2 -1.688 14.717 -6.364
17 H LYS 3 HN LYS 3 4.907 14.578 -8.300
18 HA LYS 3 HA LYS 3 6.527 13.319 -10.301
19 HB2 LYS 3 HB2 LYS 3 7.085 15.514 -9.346
20 HB3 LYS 3 HB3 LYS 3 7.301 14.774 -7.768
21 HG2 LYS 3 HG2 LYS 3 9.163 13.448 -8.659
22 HG3 LYS 3 HG3 LYS 3 8.957 14.242 -10.224
23 HD2 LYS 3 HD2 LYS 3 9.417 16.404 -9.198
24 HD3 LYS 3 HD3 LYS 3 9.586 15.632 -7.621
25 HE2 LYS 3 HE2 LYS 3 11.498 14.360 -8.440
26 HE3 LYS 3 HE3 LYS 3 11.315 15.090 -10.034
27 HZ1 LYS 3 HZ1 LYS 3 11.947 16.549 -7.525
28 HZ2 LYS 3 HZ2 LYS 3 11.766 17.254 -9.052
29 HZ3 LYS 3 HZ3 LYS 3 13.045 16.186 -8.761
30 H HIS 4 HN HIS 4 5.255 12.370 -7.300
31 HA HIS 4 HA HIS 4 5.480 10.517 -6.011
32 HB2 HIS 4 HB2 HIS 4 6.939 9.534 -8.462
33 HB3 HIS 4 HB3 HIS 4 6.633 8.518 -7.058
34 HD1 HIS 4 HD1 HIS 4 5.071 9.813 -10.121
35 HD2 HIS 4 HD2 HIS 4 3.837 7.982 -6.601
36 HE1 HIS 4 HE1 HIS 4 2.727 9.018 -10.564
37 HE2 HIS 4 HE2 HIS 4 2.032 7.841 -8.448
38 H SER 5 HN SER 5 8.615 10.152 -7.595
39 HA SER 5 HA SER 5 10.744 10.190 -6.821
40 HB2 SER 5 HB2 SER 5 10.327 12.556 -6.416
41 HB3 SER 5 HB3 SER 5 9.610 12.185 -4.848
42 HG SER 5 HG SER 5 11.721 11.233 -4.335
43 H ASP 6 HN ASP 6 9.357 10.777 -3.622
44 HA ASP 6 HA ASP 6 9.858 7.998 -2.872
45 HB2 ASP 6 HB2 ASP 6 11.056 8.755 -0.809
46 HB3 ASP 6 HB3 ASP 6 11.939 9.069 -2.300
47 H GLU 7 HN GLU 7 7.939 7.348 -2.165
48 HA GLU 7 HA GLU 7 6.765 8.356 0.182
49 HB2 GLU 7 HB2 GLU 7 4.600 9.166 -0.862
50 HB3 GLU 7 HB3 GLU 7 5.977 10.245 -1.031
51 HG2 GLU 7 HG2 GLU 7 6.320 9.453 -3.315
52 HG3 GLU 7 HG3 GLU 7 4.939 8.371 -3.146
53 H SER 8 HN SER 8 6.233 6.400 0.959
54 HA SER 8 HA SER 8 5.308 4.329 1.125
55 HB2 SER 8 HB2 SER 8 3.630 5.235 -1.236
56 HB3 SER 8 HB3 SER 8 3.312 3.817 -0.240
57 HG SER 8 HG SER 8 2.730 5.087 1.417
58 H THR 9 HN THR 9 7.438 5.252 -0.889
59 HA THR 9 HA THR 9 7.554 3.721 -3.151
60 HB THR 9 HB THR 9 9.912 4.234 -1.329
61 HG1 THR 9 HG1 THR 9 10.095 6.125 -2.813
62 HG21 THR 9 HG21 THR 9 11.213 4.193 -3.399
63 HG22 THR 9 HG22 THR 9 9.749 3.853 -4.321
64 HG23 THR 9 HG23 THR 9 10.359 2.667 -3.166
65 H SER 10 HN SER 10 8.091 2.832 0.167
66 HA SER 10 HA SER 10 7.783 0.035 -0.407
67 HB2 SER 10 HB2 SER 10 10.405 1.055 0.715
68 HB3 SER 10 HB3 SER 10 9.924 -0.638 0.657
69 HG SER 10 HG SER 10 11.117 -0.318 -1.149
70 H GLU 11 HN GLU 11 7.202 2.648 1.403
71 HA GLU 11 HA GLU 11 7.504 1.920 4.063
72 HB2 GLU 11 HB2 GLU 11 6.820 4.159 3.336
73 HB3 GLU 11 HB3 GLU 11 5.267 3.517 2.823
74 HG2 GLU 11 HG2 GLU 11 5.044 4.633 4.945
75 HG3 GLU 11 HG3 GLU 11 4.764 2.903 5.141
76 H SEP 12 HN SER 12 4.366 1.876 2.490
77 HA SEP 12 HA SER 12 3.439 -0.193 4.273
78 HB2 SEP 12 HB2 SER 12 2.057 1.246 1.998
79 HB3 SEP 12 HB3 SER 12 1.271 0.091 3.073
80 H PHE 13 HN PHE 13 5.204 -0.270 1.508
81 HA PHE 13 HA PHE 13 3.994 -2.768 0.540
82 HB2 PHE 13 HB2 PHE 13 4.615 -0.654 -0.953
83 HB3 PHE 13 HB3 PHE 13 6.206 -1.407 -0.934
84 HD1 PHE 13 HD1 PHE 13 2.658 -2.478 -1.404
85 HD2 PHE 13 HD2 PHE 13 6.694 -2.742 -2.729
86 HE1 PHE 13 HE1 PHE 13 1.959 -3.980 -3.221
87 HE2 PHE 13 HE2 PHE 13 6.003 -4.248 -4.545
88 HZ PHE 13 HZ PHE 13 3.632 -4.867 -4.795
89 H GLU 14 HN GLU 14 6.815 -3.066 -0.781
90 HA GLU 14 HA GLU 14 8.743 -4.201 -0.396
91 HB2 GLU 14 HB2 GLU 14 8.932 -2.327 1.371
92 HB3 GLU 14 HB3 GLU 14 8.484 -3.565 2.534
93 HG2 GLU 14 HG2 GLU 14 10.430 -4.907 1.730
94 HG3 GLU 14 HG3 GLU 14 10.909 -3.515 0.760
95 H SER 15 HN SER 15 6.225 -5.563 -0.327
96 HA SER 15 HA SER 15 7.027 -7.892 1.272
97 HB2 SER 15 HB2 SER 15 4.208 -6.793 1.142
98 HB3 SER 15 HB3 SER 15 4.692 -8.283 1.949
99 HG SER 15 HG SER 15 4.510 -6.311 3.281
100 H ILE 16 HN ILE 16 5.202 -9.712 0.657
101 HA ILE 16 HA ILE 16 5.866 -10.555 -1.918
102 HB ILE 16 HB ILE 16 3.478 -11.416 -0.278
103 HG12 ILE 16 HG12 ILE 16 6.195 -12.727 -0.451
104 HG13 ILE 16 HG13 ILE 16 5.754 -11.602 0.829
105 HG21 ILE 16 HG21 ILE 16 4.903 -12.770 -2.567
106 HG22 ILE 16 HG22 ILE 16 3.636 -13.501 -1.582
107 HG23 ILE 16 HG23 ILE 16 3.271 -12.102 -2.593
108 HD11 ILE 16 HD11 ILE 16 5.524 -13.909 1.552
109 HD12 ILE 16 HD12 ILE 16 3.960 -13.094 1.526
110 HD13 ILE 16 HD13 ILE 16 4.390 -14.219 0.237
111 H ALA 17 HN ALA 17 2.780 -9.212 -0.742
112 HA ALA 17 HA ALA 17 1.074 -8.145 -1.799
113 HB1 ALA 17 HB1 ALA 17 3.112 -7.616 -3.957
114 HB2 ALA 17 HB2 ALA 17 1.584 -6.768 -3.731
115 HB3 ALA 17 HB3 ALA 17 2.859 -6.623 -2.522
116 H ASP 18 HN ASP 18 -0.009 -8.001 -4.155
117 HA ASP 18 HA ASP 18 -1.141 -9.077 -5.797
118 HB2 ASP 18 HB2 ASP 18 1.185 -11.003 -5.660
119 HB3 ASP 18 HB3 ASP 18 -0.086 -11.071 -6.878
120 H ASN 19 HN ASN 19 -1.078 -9.969 -2.788
121 HA ASN 19 HA ASN 19 -3.329 -11.653 -2.949
122 HB2 ASN 19 HB2 ASN 19 -2.408 -13.699 -2.047
123 HB3 ASN 19 HB3 ASN 19 -1.597 -13.306 -3.554
124 HD21 ASN 19 HD21 ASN 19 0.549 -12.801 -3.547
125 HD22 ASN 19 HD22 ASN 19 1.559 -12.975 -2.155
126 H ASN 20 HN ASN 20 -1.381 -9.536 -1.421
127 HA ASN 20 HA ASN 20 -2.852 -9.816 1.079
128 HB2 ASN 20 HB2 ASN 20 -0.723 -11.063 1.404
129 HB3 ASN 20 HB3 ASN 20 0.167 -9.591 1.029
130 HD21 ASN 20 HD21 ASN 20 0.187 -7.905 2.505
131 HD22 ASN 20 HD22 ASN 20 -0.297 -8.115 4.152
132 H ASP 21 HN ASP 21 -0.858 -7.971 -1.100
133 HA ASP 21 HA ASP 21 -0.751 -5.533 0.259
134 HB2 ASP 21 HB2 ASP 21 -0.280 -4.518 -1.890
135 HB3 ASP 21 HB3 ASP 21 0.553 -6.066 -1.795
136 H ASP 22 HN ASP 22 -3.238 -6.969 -1.768
137 HA ASP 22 HA ASP 22 -4.876 -4.653 -1.910
138 HB2 ASP 22 HB2 ASP 22 -6.404 -6.009 -3.043
139 HB3 ASP 22 HB3 ASP 22 -4.854 -6.774 -3.390
140 H SER 23 HN SER 23 -3.957 -6.021 0.772
141 HA SER 23 HA SER 23 -6.596 -5.829 2.059
142 HB2 SER 23 HB2 SER 23 -5.802 -8.145 2.090
143 HB3 SER 23 HB3 SER 23 -4.293 -7.630 2.845
144 HG SER 23 HG SER 23 -5.411 -7.079 4.678
145 H TYR 24 HN TYR 24 -3.116 -5.185 2.344
146 HA TYR 24 HA TYR 24 -3.772 -3.350 4.560
147 HB2 TYR 24 HB2 TYR 24 -1.759 -3.803 5.638
148 HB3 TYR 24 HB3 TYR 24 -2.284 -5.385 5.079
149 HD1 TYR 24 HD2 TYR 24 -1.391 -5.805 2.512
150 HD2 TYR 24 HD1 TYR 24 0.509 -3.440 5.491
151 HE1 TYR 24 HE2 TYR 24 0.766 -6.123 1.379
152 HE2 TYR 24 HE1 TYR 24 2.672 -3.750 4.366
153 HH TYR 24 HH TYR 24 3.738 -5.313 2.830
154 H PHE 25 HN PHE 25 -2.106 -3.728 1.523
155 HA PHE 25 HA PHE 25 -0.788 -1.163 1.692
156 HB2 PHE 25 HB2 PHE 25 0.069 -3.164 0.383
157 HB3 PHE 25 HB3 PHE 25 -1.190 -2.821 -0.795
158 HD1 PHE 25 HD1 PHE 25 1.374 -0.853 1.086
159 HD2 PHE 25 HD2 PHE 25 -0.484 -1.714 -2.641
160 HE1 PHE 25 HE1 PHE 25 2.843 0.785 -0.016
161 HE2 PHE 25 HE2 PHE 25 0.980 -0.074 -3.754
162 HZ PHE 25 HZ PHE 25 2.654 1.199 -2.398
163 H GLN 26 HN GLN 26 -3.630 -2.536 0.158
164 HA GLN 26 HA GLN 26 -4.325 0.104 -0.893
165 HB2 GLN 26 HB2 GLN 26 -5.464 -2.608 -1.583
166 HB3 GLN 26 HB3 GLN 26 -5.925 -1.087 -2.331
167 HG2 GLN 26 HG2 GLN 26 -3.639 -0.819 -3.172
168 HG3 GLN 26 HG3 GLN 26 -3.205 -2.368 -2.449
169 HE21 GLN 26 HE21 GLN 26 -5.793 -3.561 -3.095
170 HE22 GLN 26 HE22 GLN 26 -5.758 -3.886 -4.791
171 H ARG 27 HN ARG 27 -5.601 -2.613 0.970
172 HA ARG 27 HA ARG 27 -7.302 -2.805 2.456
173 HB2 ARG 27 HB2 ARG 27 -6.952 0.182 2.763
174 HB3 ARG 27 HB3 ARG 27 -7.755 -0.889 3.902
175 HG2 ARG 27 HG2 ARG 27 -5.655 -2.040 4.326
176 HG3 ARG 27 HG3 ARG 27 -4.840 -1.001 3.155
177 HD2 ARG 27 HD2 ARG 27 -4.402 -0.173 5.368
178 HD3 ARG 27 HD3 ARG 27 -5.466 0.959 4.532
179 HE ARG 27 HE ARG 27 -7.212 -0.589 5.860
180 HH11 ARG 27 HH12 ARG 27 -4.318 1.069 6.874
181 HH12 ARG 27 HH11 ARG 27 -4.877 1.321 8.493
182 HH21 ARG 27 HH22 ARG 27 -7.953 -0.262 7.989
183 HH22 ARG 27 HH21 ARG 27 -6.944 0.566 9.127
184 H LYS 28 HN LYS 28 -8.141 -2.800 -0.078
185 HA LYS 28 HA LYS 28 -9.910 -2.475 -1.476
186 HB2 LYS 28 HB2 LYS 28 -11.257 -2.157 1.207
187 HB3 LYS 28 HB3 LYS 28 -12.138 -2.266 -0.310
188 HG2 LYS 28 HG2 LYS 28 -12.200 -4.427 0.535
189 HG3 LYS 28 HG3 LYS 28 -10.894 -4.480 -0.650
190 HD2 LYS 28 HD2 LYS 28 -9.254 -4.211 1.140
191 HD3 LYS 28 HD3 LYS 28 -10.554 -4.127 2.327
192 HE2 LYS 28 HE2 LYS 28 -11.246 -6.405 1.700
193 HE3 LYS 28 HE3 LYS 28 -9.908 -6.483 0.555
194 HZ1 LYS 28 HZ1 LYS 28 -9.679 -6.191 3.503
195 HZ2 LYS 28 HZ2 LYS 28 -8.374 -6.186 2.426
196 HZ3 LYS 28 HZ3 LYS 28 -9.319 -7.579 2.604
197 HA PRO 29 HA PRO 29 -9.508 2.149 -1.356
198 HB2 PRO 29 HB2 PRO 29 -9.185 1.745 -4.257
199 HB3 PRO 29 HB3 PRO 29 -8.162 2.636 -3.127
200 HG2 PRO 29 HG2 PRO 29 -7.382 0.297 -4.183
201 HG3 PRO 29 HG3 PRO 29 -6.963 0.759 -2.523
202 HD2 PRO 29 HD2 PRO 29 -9.088 -1.116 -3.491
203 HD3 PRO 29 HD3 PRO 29 -7.993 -1.275 -2.102
204 H LYS 30 HN LYS 30 -10.809 0.694 -4.337
205 HA LYS 30 HA LYS 30 -13.008 2.544 -4.358
206 HB2 LYS 30 HB2 LYS 30 -13.645 1.457 -6.444
207 HB3 LYS 30 HB3 LYS 30 -11.926 1.825 -6.442
208 HG2 LYS 30 HG2 LYS 30 -11.409 -0.493 -5.919
209 HG3 LYS 30 HG3 LYS 30 -13.132 -0.875 -5.867
210 HD2 LYS 30 HD2 LYS 30 -13.312 -0.171 -8.236
211 HD3 LYS 30 HD3 LYS 30 -11.565 0.080 -8.262
212 HE2 LYS 30 HE2 LYS 30 -12.958 -2.532 -7.685
213 HE3 LYS 30 HE3 LYS 30 -12.199 -2.092 -9.215
214 HZ1 LYS 30 HZ1 LYS 30 -10.076 -1.934 -8.073
215 HZ2 LYS 30 HZ2 LYS 30 -10.746 -3.473 -7.869
216 HZ3 LYS 30 HZ3 LYS 30 -10.805 -2.352 -6.604
217 H LEU 31 HN LEU 31 -15.255 1.608 -4.877
218 HA LEU 31 HA LEU 31 -15.985 -0.095 -2.651
219 HB2 LEU 31 HB2 LEU 31 -17.592 1.422 -4.700
220 HB3 LEU 31 HB3 LEU 31 -18.332 0.363 -3.518
221 HG LEU 31 HG LEU 31 -17.291 1.785 -1.718
222 HD11 LEU 31 HD11 LEU 31 -16.695 3.582 -4.064
223 HD12 LEU 31 HD12 LEU 31 -16.602 4.060 -2.368
224 HD13 LEU 31 HD13 LEU 31 -15.519 2.817 -2.996
225 HD21 LEU 31 HD21 LEU 31 -19.206 3.136 -3.617
226 HD22 LEU 31 HD22 LEU 31 -19.637 2.000 -2.338
227 HD23 LEU 31 HD23 LEU 31 -18.949 3.571 -1.928
228 H THR 32 HN THR 32 -17.784 -1.760 -3.124
229 HA THR 32 HA THR 32 -16.690 -3.750 -4.828
230 HB THR 32 HB THR 32 -18.698 -5.074 -4.261
231 HG1 THR 32 HG1 THR 32 -19.542 -2.580 -3.229
232 HG21 THR 32 HG21 THR 32 -17.453 -3.629 -1.917
233 HG22 THR 32 HG22 THR 32 -16.818 -5.070 -2.713
234 HG23 THR 32 HG23 THR 32 -18.340 -5.152 -1.825
235 H GLU 33 HN GLU 33 -17.556 -4.665 -6.722
236 HA GLU 33 HA GLU 33 -18.438 -4.618 -8.814
237 HB2 GLU 33 HB2 GLU 33 -20.551 -4.867 -7.587
238 HB3 GLU 33 HB3 GLU 33 -20.677 -3.119 -7.441
239 HG2 GLU 33 HG2 GLU 33 -20.782 -2.963 -9.905
240 HG3 GLU 33 HG3 GLU 33 -20.774 -4.724 -9.985
241 H ALA 34 HN ALA 34 -16.932 -3.363 -9.858
242 HA ALA 34 HA ALA 34 -17.730 -0.574 -10.327
243 HB1 ALA 34 HB1 ALA 34 -15.867 -0.520 -8.780
244 HB2 ALA 34 HB2 ALA 34 -14.903 -1.516 -9.869
245 HB3 ALA 34 HB3 ALA 34 -15.376 0.113 -10.350
246 HA PRO 35 HA PRO 35 -15.495 -2.061 -14.289
247 HB2 PRO 35 HB2 PRO 35 -14.535 -4.566 -14.473
248 HB3 PRO 35 HB3 PRO 35 -13.600 -3.258 -13.738
249 HG2 PRO 35 HG2 PRO 35 -15.189 -5.423 -12.424
250 HG3 PRO 35 HG3 PRO 35 -13.597 -4.779 -11.985
251 HD2 PRO 35 HD2 PRO 35 -15.928 -4.058 -10.745
252 HD3 PRO 35 HD3 PRO 35 -14.495 -3.018 -10.831
Start of MODEL 3
1 H1 GLU 1 H1 GLU 1 6.260 12.996 17.184
2 H2 GLU 1 H2 GLU 1 5.264 13.201 18.533
3 H3 GLU 1 H3 GLU 1 6.115 11.755 18.325
4 HA GLU 1 HA GLU 1 7.286 14.424 18.844
5 HB2 GLU 1 HB2 GLU 1 7.006 11.938 20.538
6 HB3 GLU 1 HB3 GLU 1 8.100 13.254 20.939
7 HG2 GLU 1 HG2 GLU 1 6.114 13.535 22.211
8 HG3 GLU 1 HG3 GLU 1 6.143 14.787 20.972
9 H HIS 2 HN HIS 2 8.076 10.943 18.830
10 HA HIS 2 HA HIS 2 10.562 11.599 17.406
11 HB2 HIS 2 HB2 HIS 2 10.280 9.720 19.758
12 HB3 HIS 2 HB3 HIS 2 11.722 9.847 18.755
13 HD1 HIS 2 HD1 HIS 2 9.748 11.730 21.332
14 HD2 HIS 2 HD2 HIS 2 13.352 12.031 19.286
15 HE1 HIS 2 HE1 HIS 2 11.021 13.571 22.479
16 HE2 HIS 2 HE2 HIS 2 13.169 13.784 21.179
17 H LYS 3 HN LYS 3 10.629 10.561 15.532
18 HA LYS 3 HA LYS 3 9.475 7.862 15.370
19 HB2 LYS 3 HB2 LYS 3 9.190 10.045 13.298
20 HB3 LYS 3 HB3 LYS 3 8.650 8.385 13.101
21 HG2 LYS 3 HG2 LYS 3 7.625 10.330 15.161
22 HG3 LYS 3 HG3 LYS 3 6.811 9.894 13.659
23 HD2 LYS 3 HD2 LYS 3 7.576 7.824 15.700
24 HD3 LYS 3 HD3 LYS 3 6.062 8.721 15.812
25 HE2 LYS 3 HE2 LYS 3 5.576 6.684 14.695
26 HE3 LYS 3 HE3 LYS 3 5.551 7.955 13.474
27 HZ1 LYS 3 HZ1 LYS 3 6.734 5.870 12.829
28 HZ2 LYS 3 HZ2 LYS 3 7.916 6.241 13.980
29 HZ3 LYS 3 HZ3 LYS 3 7.654 7.281 12.672
30 H HIS 4 HN HIS 4 10.231 6.719 13.328
31 HA HIS 4 HA HIS 4 13.122 7.105 13.119
32 HB2 HIS 4 HB2 HIS 4 11.419 4.782 12.197
33 HB3 HIS 4 HB3 HIS 4 13.178 4.833 12.223
34 HD1 HIS 4 HD1 HIS 4 14.333 4.336 14.433
35 HD2 HIS 4 HD2 HIS 4 10.196 4.568 14.760
36 HE1 HIS 4 HE1 HIS 4 13.792 3.491 16.740
37 HE2 HIS 4 HE2 HIS 4 11.281 3.634 16.913
38 H SER 5 HN SER 5 10.217 7.397 11.287
39 HA SER 5 HA SER 5 11.578 8.685 9.136
40 HB2 SER 5 HB2 SER 5 12.006 6.359 8.480
41 HB3 SER 5 HB3 SER 5 10.280 6.008 8.568
42 HG SER 5 HG SER 5 10.188 7.882 6.973
43 H ASP 6 HN ASP 6 8.588 6.760 9.287
44 HA ASP 6 HA ASP 6 6.406 7.304 8.961
45 HB2 ASP 6 HB2 ASP 6 6.687 8.460 11.093
46 HB3 ASP 6 HB3 ASP 6 7.283 9.892 10.259
47 H GLU 7 HN GLU 7 6.229 7.312 6.760
48 HA GLU 7 HA GLU 7 6.173 9.967 5.510
49 HB2 GLU 7 HB2 GLU 7 7.423 7.509 4.263
50 HB3 GLU 7 HB3 GLU 7 7.205 9.060 3.465
51 HG2 GLU 7 HG2 GLU 7 8.714 10.111 5.053
52 HG3 GLU 7 HG3 GLU 7 8.909 8.576 5.899
53 H SER 8 HN SER 8 5.778 6.766 4.075
54 HA SER 8 HA SER 8 3.026 7.484 3.371
55 HB2 SER 8 HB2 SER 8 4.813 5.291 2.283
56 HB3 SER 8 HB3 SER 8 3.188 5.666 1.708
57 HG SER 8 HG SER 8 3.918 7.625 0.961
58 H THR 9 HN THR 9 4.552 6.017 5.784
59 HA THR 9 HA THR 9 4.175 4.345 7.272
60 HB THR 9 HB THR 9 2.391 6.004 7.801
61 HG1 THR 9 HG1 THR 9 1.929 4.672 9.371
62 HG21 THR 9 HG21 THR 9 0.672 4.133 6.166
63 HG22 THR 9 HG22 THR 9 0.982 5.841 5.850
64 HG23 THR 9 HG23 THR 9 0.045 5.362 7.266
65 H SER 10 HN SER 10 4.087 3.544 4.369
66 HA SER 10 HA SER 10 3.329 0.821 4.799
67 HB2 SER 10 HB2 SER 10 1.689 2.492 2.877
68 HB3 SER 10 HB3 SER 10 1.668 0.729 2.930
69 HG SER 10 HG SER 10 0.020 2.007 4.188
70 H GLU 11 HN GLU 11 4.692 3.361 2.954
71 HA GLU 11 HA GLU 11 6.258 3.440 1.314
72 HB2 GLU 11 HB2 GLU 11 6.654 0.567 2.162
73 HB3 GLU 11 HB3 GLU 11 7.682 1.382 0.991
74 HG2 GLU 11 HG2 GLU 11 8.742 1.414 3.138
75 HG3 GLU 11 HG3 GLU 11 8.259 3.053 2.708
76 H SEP 12 HN SER 12 3.421 2.173 0.930
77 HA SEP 12 HA SER 12 2.130 1.586 -0.842
78 HB2 SEP 12 HB2 SER 12 3.293 3.372 -2.037
79 HB3 SEP 12 HB3 SER 12 4.597 2.263 -2.457
80 H PHE 13 HN PHE 13 4.740 -0.137 0.142
81 HA PHE 13 HA PHE 13 3.810 -2.627 -0.602
82 HB2 PHE 13 HB2 PHE 13 5.389 -3.325 -2.355
83 HB3 PHE 13 HB3 PHE 13 4.346 -2.026 -2.916
84 HD1 PHE 13 HD1 PHE 13 5.238 0.214 -3.286
85 HD2 PHE 13 HD2 PHE 13 7.752 -3.000 -2.081
86 HE1 PHE 13 HE1 PHE 13 7.216 1.523 -3.937
87 HE2 PHE 13 HE2 PHE 13 9.736 -1.697 -2.732
88 HZ PHE 13 HZ PHE 13 9.472 0.557 -3.673
89 H GLU 14 HN GLU 14 4.959 -4.246 0.403
90 HA GLU 14 HA GLU 14 7.667 -4.121 1.127
91 HB2 GLU 14 HB2 GLU 14 6.915 -2.338 2.634
92 HB3 GLU 14 HB3 GLU 14 5.721 -3.421 3.336
93 HG2 GLU 14 HG2 GLU 14 7.494 -4.851 4.178
94 HG3 GLU 14 HG3 GLU 14 8.702 -3.794 3.452
95 H SER 15 HN SER 15 4.607 -5.527 1.076
96 HA SER 15 HA SER 15 5.509 -7.919 2.520
97 HB2 SER 15 HB2 SER 15 3.326 -6.826 3.162
98 HB3 SER 15 HB3 SER 15 2.704 -7.297 1.581
99 HG SER 15 HG SER 15 3.904 -9.326 3.007
100 H ILE 16 HN ILE 16 3.801 -9.777 1.355
101 HA ILE 16 HA ILE 16 5.307 -10.627 -0.865
102 HB ILE 16 HB ILE 16 2.549 -11.552 -0.050
103 HG12 ILE 16 HG12 ILE 16 5.221 -12.729 0.736
104 HG13 ILE 16 HG13 ILE 16 4.303 -11.635 1.764
105 HG21 ILE 16 HG21 ILE 16 3.166 -13.638 -1.177
106 HG22 ILE 16 HG22 ILE 16 3.177 -12.269 -2.290
107 HG23 ILE 16 HG23 ILE 16 4.697 -12.914 -1.672
108 HD11 ILE 16 HD11 ILE 16 3.944 -13.924 2.430
109 HD12 ILE 16 HD12 ILE 16 2.450 -13.241 1.787
110 HD13 ILE 16 HD13 ILE 16 3.412 -14.342 0.802
111 H ALA 17 HN ALA 17 2.201 -8.977 -0.608
112 HA ALA 17 HA ALA 17 0.906 -7.880 -2.114
113 HB1 ALA 17 HB1 ALA 17 2.987 -6.720 -2.676
114 HB2 ALA 17 HB2 ALA 17 3.344 -7.957 -3.883
115 HB3 ALA 17 HB3 ALA 17 1.935 -6.913 -4.079
116 H ASP 18 HN ASP 18 -0.018 -8.033 -4.404
117 HA ASP 18 HA ASP 18 -1.129 -9.247 -5.967
118 HB2 ASP 18 HB2 ASP 18 1.138 -11.228 -5.635
119 HB3 ASP 18 HB3 ASP 18 -0.018 -11.198 -6.963
120 H ASN 19 HN ASN 19 -1.003 -9.910 -2.903
121 HA ASN 19 HA ASN 19 -3.268 -11.543 -2.805
122 HB2 ASN 19 HB2 ASN 19 -2.444 -13.610 -2.041
123 HB3 ASN 19 HB3 ASN 19 -1.454 -13.234 -3.440
124 HD21 ASN 19 HD21 ASN 19 0.112 -11.235 -1.977
125 HD22 ASN 19 HD22 ASN 19 1.172 -12.126 -0.948
126 H ASN 20 HN ASN 20 -0.848 -9.641 -1.519
127 HA ASN 20 HA ASN 20 -2.045 -9.760 1.171
128 HB2 ASN 20 HB2 ASN 20 0.427 -10.528 0.845
129 HB3 ASN 20 HB3 ASN 20 0.765 -8.810 0.692
130 HD21 ASN 20 HD21 ASN 20 -1.206 -7.925 2.535
131 HD22 ASN 20 HD22 ASN 20 -0.679 -8.369 4.117
132 H ASP 21 HN ASP 21 -0.183 -7.646 -1.009
133 HA ASP 21 HA ASP 21 -0.782 -5.227 0.248
134 HB2 ASP 21 HB2 ASP 21 0.028 -5.932 -2.558
135 HB3 ASP 21 HB3 ASP 21 -0.318 -4.266 -2.109
136 H ASP 22 HN ASP 22 -2.691 -7.192 -1.866
137 HA ASP 22 HA ASP 22 -4.494 -5.175 -2.733
138 HB2 ASP 22 HB2 ASP 22 -4.499 -8.166 -2.718
139 HB3 ASP 22 HB3 ASP 22 -5.988 -7.302 -3.099
140 H SER 23 HN SER 23 -3.974 -6.399 0.296
141 HA SER 23 HA SER 23 -6.581 -5.439 1.201
142 HB2 SER 23 HB2 SER 23 -6.862 -7.863 0.975
143 HB3 SER 23 HB3 SER 23 -5.443 -8.129 1.988
144 HG SER 23 HG SER 23 -7.044 -8.244 3.421
145 H TYR 24 HN TYR 24 -3.350 -5.230 1.435
146 HA TYR 24 HA TYR 24 -3.462 -4.424 4.260
147 HB2 TYR 24 HB2 TYR 24 -1.884 -5.948 4.687
148 HB3 TYR 24 HB3 TYR 24 -1.744 -6.346 2.982
149 HD1 TYR 24 HD1 TYR 24 -0.496 -4.081 5.621
150 HD2 TYR 24 HD2 TYR 24 0.152 -5.668 1.728
151 HE1 TYR 24 HE1 TYR 24 1.746 -3.087 5.599
152 HE2 TYR 24 HE2 TYR 24 2.406 -4.681 1.697
153 HH TYR 24 HH TYR 24 3.903 -3.429 4.474
154 H PHE 25 HN PHE 25 -1.965 -3.889 1.100
155 HA PHE 25 HA PHE 25 -0.881 -1.333 1.947
156 HB2 PHE 25 HB2 PHE 25 0.632 -1.943 0.402
157 HB3 PHE 25 HB3 PHE 25 -0.423 -3.193 -0.235
158 HD1 PHE 25 HD2 PHE 25 0.583 0.327 -0.528
159 HD2 PHE 25 HD1 PHE 25 -1.740 -2.826 -2.191
160 HE1 PHE 25 HE2 PHE 25 0.262 1.651 -2.578
161 HE2 PHE 25 HE1 PHE 25 -2.067 -1.509 -4.244
162 HZ PHE 25 HZ PHE 25 -1.065 0.734 -4.437
163 H GLN 26 HN GLN 26 -3.626 -2.629 0.298
164 HA GLN 26 HA GLN 26 -4.569 0.105 -0.272
165 HB2 GLN 26 HB2 GLN 26 -4.153 -1.401 -2.268
166 HB3 GLN 26 HB3 GLN 26 -5.479 -2.399 -1.689
167 HG2 GLN 26 HG2 GLN 26 -7.029 -0.588 -1.951
168 HG3 GLN 26 HG3 GLN 26 -5.723 0.521 -2.361
169 HE21 GLN 26 HE21 GLN 26 -4.334 -1.479 -3.976
170 HE22 GLN 26 HE22 GLN 26 -5.228 -1.607 -5.448
171 H ARG 27 HN ARG 27 -5.180 -2.925 1.250
172 HA ARG 27 HA ARG 27 -6.793 -3.697 2.633
173 HB2 ARG 27 HB2 ARG 27 -6.145 -1.305 3.571
174 HB3 ARG 27 HB3 ARG 27 -7.811 -0.944 3.138
175 HG2 ARG 27 HG2 ARG 27 -8.538 -2.866 4.514
176 HG3 ARG 27 HG3 ARG 27 -6.862 -3.093 5.014
177 HD2 ARG 27 HD2 ARG 27 -8.574 -0.657 5.496
178 HD3 ARG 27 HD3 ARG 27 -8.074 -1.844 6.701
179 HE ARG 27 HE ARG 27 -5.788 -0.763 5.483
180 HH11 ARG 27 HH12 ARG 27 -8.373 0.164 7.627
181 HH12 ARG 27 HH11 ARG 27 -7.435 1.365 8.449
182 HH21 ARG 27 HH22 ARG 27 -4.544 0.821 6.558
183 HH22 ARG 27 HH21 ARG 27 -5.261 1.743 7.838
184 H LYS 28 HN LYS 28 -8.153 -4.770 1.255
185 HA LYS 28 HA LYS 28 -10.647 -3.373 0.608
186 HB2 LYS 28 HB2 LYS 28 -8.758 -4.541 -1.266
187 HB3 LYS 28 HB3 LYS 28 -10.357 -5.257 -1.422
188 HG2 LYS 28 HG2 LYS 28 -10.443 -3.492 -2.899
189 HG3 LYS 28 HG3 LYS 28 -11.185 -2.815 -1.449
190 HD2 LYS 28 HD2 LYS 28 -8.990 -1.840 -0.839
191 HD3 LYS 28 HD3 LYS 28 -8.342 -2.424 -2.372
192 HE2 LYS 28 HE2 LYS 28 -10.553 -0.414 -1.971
193 HE3 LYS 28 HE3 LYS 28 -8.938 -0.105 -2.607
194 HZ1 LYS 28 HZ1 LYS 28 -9.468 -1.519 -4.506
195 HZ2 LYS 28 HZ2 LYS 28 -10.551 -0.226 -4.385
196 HZ3 LYS 28 HZ3 LYS 28 -11.027 -1.776 -3.900
197 HA PRO 29 HA PRO 29 -11.374 -7.430 2.787
198 HB2 PRO 29 HB2 PRO 29 -13.005 -5.905 4.651
199 HB3 PRO 29 HB3 PRO 29 -11.587 -6.903 4.977
200 HG2 PRO 29 HG2 PRO 29 -11.579 -4.196 5.214
201 HG3 PRO 29 HG3 PRO 29 -10.137 -5.136 4.790
202 HD2 PRO 29 HD2 PRO 29 -11.981 -3.579 3.011
203 HD3 PRO 29 HD3 PRO 29 -10.207 -3.695 2.974
204 H LYS 30 HN LYS 30 -13.889 -4.921 3.078
205 HA LYS 30 HA LYS 30 -15.918 -6.777 2.218
206 HB2 LYS 30 HB2 LYS 30 -17.472 -4.899 2.566
207 HB3 LYS 30 HB3 LYS 30 -16.440 -5.168 3.965
208 HG2 LYS 30 HG2 LYS 30 -15.022 -3.298 3.279
209 HG3 LYS 30 HG3 LYS 30 -16.061 -3.029 1.879
210 HD2 LYS 30 HD2 LYS 30 -17.944 -2.551 3.341
211 HD3 LYS 30 HD3 LYS 30 -16.949 -2.885 4.758
212 HE2 LYS 30 HE2 LYS 30 -15.475 -1.021 4.148
213 HE3 LYS 30 HE3 LYS 30 -16.494 -0.681 2.750
214 HZ1 LYS 30 HZ1 LYS 30 -17.018 0.777 4.600
215 HZ2 LYS 30 HZ2 LYS 30 -17.357 -0.552 5.589
216 HZ3 LYS 30 HZ3 LYS 30 -18.336 -0.225 4.248
217 H LEU 31 HN LEU 31 -17.433 -6.279 0.473
218 HA LEU 31 HA LEU 31 -15.984 -5.388 -1.893
219 HB2 LEU 31 HB2 LEU 31 -18.675 -6.729 -1.618
220 HB3 LEU 31 HB3 LEU 31 -17.867 -6.383 -3.135
221 HG LEU 31 HG LEU 31 -16.740 -8.205 -1.010
222 HD11 LEU 31 HD11 LEU 31 -18.813 -9.129 -1.890
223 HD12 LEU 31 HD12 LEU 31 -18.226 -8.901 -3.539
224 HD13 LEU 31 HD13 LEU 31 -17.420 -10.045 -2.467
225 HD21 LEU 31 HD21 LEU 31 -15.073 -7.197 -2.487
226 HD22 LEU 31 HD22 LEU 31 -15.238 -8.926 -2.793
227 HD23 LEU 31 HD23 LEU 31 -15.974 -7.763 -3.894
228 H THR 32 HN THR 32 -19.035 -4.712 -0.207
229 HA THR 32 HA THR 32 -19.677 -2.520 -1.965
230 HB THR 32 HB THR 32 -21.603 -2.146 -0.511
231 HG1 THR 32 HG1 THR 32 -20.163 -3.871 1.180
232 HG21 THR 32 HG21 THR 32 -22.708 -4.320 -0.782
233 HG22 THR 32 HG22 THR 32 -21.142 -5.077 -1.074
234 HG23 THR 32 HG23 THR 32 -21.776 -3.889 -2.214
235 H GLU 33 HN GLU 33 -19.207 -0.426 -1.699
236 HA GLU 33 HA GLU 33 -18.709 0.757 0.852
237 HB2 GLU 33 HB2 GLU 33 -16.366 1.407 0.434
238 HB3 GLU 33 HB3 GLU 33 -16.556 -0.335 0.584
239 HG2 GLU 33 HG2 GLU 33 -16.500 -0.545 -1.854
240 HG3 GLU 33 HG3 GLU 33 -16.280 1.199 -1.990
241 H ALA 34 HN ALA 34 -18.608 0.930 -2.643
242 HA ALA 34 HA ALA 34 -18.990 3.844 -2.508
243 HB1 ALA 34 HB1 ALA 34 -18.286 3.912 -4.840
244 HB2 ALA 34 HB2 ALA 34 -17.070 3.113 -3.843
245 HB3 ALA 34 HB3 ALA 34 -18.145 2.155 -4.861
246 HA PRO 35 HA PRO 35 -23.191 3.442 -3.813
247 HB2 PRO 35 HB2 PRO 35 -23.502 5.671 -5.346
248 HB3 PRO 35 HB3 PRO 35 -23.427 5.713 -3.581
249 HG2 PRO 35 HG2 PRO 35 -21.272 6.275 -5.582
250 HG3 PRO 35 HG3 PRO 35 -21.677 7.154 -4.094
251 HD2 PRO 35 HD2 PRO 35 -19.620 5.411 -4.219
252 HD3 PRO 35 HD3 PRO 35 -20.587 5.627 -2.746
Start of MODEL 4
1 H1 GLU 1 H1 GLU 1 17.403 -2.970 22.400
2 H2 GLU 1 H2 GLU 1 18.355 -2.188 21.241
3 H3 GLU 1 H3 GLU 1 19.052 -2.724 22.686
4 HA GLU 1 HA GLU 1 19.624 -4.183 20.864
5 HB2 GLU 1 HB2 GLU 1 19.451 -5.135 23.101
6 HB3 GLU 1 HB3 GLU 1 17.721 -5.374 22.892
7 HG2 GLU 1 HG2 GLU 1 18.117 -7.009 21.161
8 HG3 GLU 1 HG3 GLU 1 19.852 -6.715 21.242
9 H HIS 2 HN HIS 2 16.218 -4.913 21.629
10 HA HIS 2 HA HIS 2 15.787 -5.775 18.902
11 HB2 HIS 2 HB2 HIS 2 13.576 -6.457 19.668
12 HB3 HIS 2 HB3 HIS 2 14.809 -7.035 20.783
13 HD1 HIS 2 HD1 HIS 2 14.993 -5.713 23.088
14 HD2 HIS 2 HD2 HIS 2 11.648 -4.853 20.778
15 HE1 HIS 2 HE1 HIS 2 13.381 -4.563 24.639
16 HE2 HIS 2 HE2 HIS 2 11.328 -4.138 23.242
17 H LYS 3 HN LYS 3 15.711 -2.856 20.471
18 HA LYS 3 HA LYS 3 13.533 -1.763 18.846
19 HB2 LYS 3 HB2 LYS 3 15.137 -0.502 21.078
20 HB3 LYS 3 HB3 LYS 3 13.796 0.261 20.234
21 HG2 LYS 3 HG2 LYS 3 12.281 -1.455 21.069
22 HG3 LYS 3 HG3 LYS 3 13.623 -2.242 21.900
23 HD2 LYS 3 HD2 LYS 3 13.958 -0.250 23.268
24 HD3 LYS 3 HD3 LYS 3 12.641 0.563 22.420
25 HE2 LYS 3 HE2 LYS 3 12.385 -1.951 24.067
26 HE3 LYS 3 HE3 LYS 3 11.926 -0.330 24.592
27 HZ1 LYS 3 HZ1 LYS 3 10.309 -0.255 22.788
28 HZ2 LYS 3 HZ2 LYS 3 10.009 -1.561 23.820
29 HZ3 LYS 3 HZ3 LYS 3 10.737 -1.824 22.315
30 H HIS 4 HN HIS 4 13.841 -0.067 17.396
31 HA HIS 4 HA HIS 4 16.616 0.677 16.799
32 HB2 HIS 4 HB2 HIS 4 14.568 -0.252 14.781
33 HB3 HIS 4 HB3 HIS 4 16.119 0.474 14.369
34 HD1 HIS 4 HD1 HIS 4 14.559 -2.697 15.509
35 HD2 HIS 4 HD2 HIS 4 18.370 -1.182 14.839
36 HE1 HIS 4 HE1 HIS 4 16.086 -4.695 15.510
37 HE2 HIS 4 HE2 HIS 4 18.382 -3.759 15.055
38 H SER 5 HN SER 5 13.466 1.332 15.296
39 HA SER 5 HA SER 5 13.302 3.996 16.293
40 HB2 SER 5 HB2 SER 5 15.089 4.372 14.664
41 HB3 SER 5 HB3 SER 5 14.102 3.650 13.393
42 HG SER 5 HG SER 5 13.151 5.498 13.157
43 H ASP 6 HN ASP 6 12.319 1.627 13.888
44 HA ASP 6 HA ASP 6 10.302 1.070 13.005
45 HB2 ASP 6 HB2 ASP 6 9.326 2.503 15.482
46 HB3 ASP 6 HB3 ASP 6 8.269 1.610 14.389
47 H GLU 7 HN GLU 7 10.242 2.136 11.093
48 HA GLU 7 HA GLU 7 8.380 4.253 10.767
49 HB2 GLU 7 HB2 GLU 7 10.253 5.598 11.662
50 HB3 GLU 7 HB3 GLU 7 11.294 4.985 10.384
51 HG2 GLU 7 HG2 GLU 7 10.542 7.203 9.839
52 HG3 GLU 7 HG3 GLU 7 9.840 6.041 8.714
53 H SER 8 HN SER 8 7.459 3.239 9.068
54 HA SER 8 HA SER 8 7.180 2.379 6.986
55 HB2 SER 8 HB2 SER 8 9.885 3.635 6.420
56 HB3 SER 8 HB3 SER 8 8.754 3.038 5.207
57 HG SER 8 HG SER 8 8.206 5.116 7.062
58 H THR 9 HN THR 9 8.951 1.262 9.250
59 HA THR 9 HA THR 9 10.935 -0.395 8.382
60 HB THR 9 HB THR 9 10.396 -0.216 10.738
61 HG1 THR 9 HG1 THR 9 10.442 -2.505 11.226
62 HG21 THR 9 HG21 THR 9 8.434 -1.339 11.693
63 HG22 THR 9 HG22 THR 9 7.886 -1.760 10.069
64 HG23 THR 9 HG23 THR 9 7.962 -0.070 10.564
65 H SER 10 HN SER 10 7.499 -0.702 8.014
66 HA SER 10 HA SER 10 7.774 -2.676 5.953
67 HB2 SER 10 HB2 SER 10 6.347 -3.420 8.523
68 HB3 SER 10 HB3 SER 10 6.308 -4.361 7.032
69 HG SER 10 HG SER 10 8.525 -4.700 7.235
70 H GLU 11 HN GLU 11 6.355 -0.069 7.314
71 HA GLU 11 HA GLU 11 3.633 -0.248 6.908
72 HB2 GLU 11 HB2 GLU 11 4.758 1.670 7.948
73 HB3 GLU 11 HB3 GLU 11 5.401 2.129 6.379
74 HG2 GLU 11 HG2 GLU 11 3.516 3.514 6.919
75 HG3 GLU 11 HG3 GLU 11 3.110 2.470 5.557
76 H SEP 12 HN SER 12 5.560 1.600 4.639
77 HA SEP 12 HA SER 12 3.753 0.944 2.488
78 HB2 SEP 12 HB2 SER 12 4.671 3.236 2.753
79 HB3 SEP 12 HB3 SER 12 6.287 2.604 2.440
80 H PHE 13 HN PHE 13 5.181 -1.251 3.565
81 HA PHE 13 HA PHE 13 6.566 -2.145 1.149
82 HB2 PHE 13 HB2 PHE 13 7.804 -1.740 3.777
83 HB3 PHE 13 HB3 PHE 13 8.084 -3.340 3.102
84 HD1 PHE 13 HD1 PHE 13 9.374 -3.628 1.079
85 HD2 PHE 13 HD2 PHE 13 8.708 0.237 2.726
86 HE1 PHE 13 HE1 PHE 13 11.166 -2.718 -0.345
87 HE2 PHE 13 HE2 PHE 13 10.497 1.157 1.307
88 HZ PHE 13 HZ PHE 13 11.727 -0.322 -0.232
89 H GLU 14 HN GLU 14 7.425 -4.615 2.199
90 HA GLU 14 HA GLU 14 6.709 -6.747 2.498
91 HB2 GLU 14 HB2 GLU 14 5.811 -5.377 4.645
92 HB3 GLU 14 HB3 GLU 14 4.285 -5.943 3.989
93 HG2 GLU 14 HG2 GLU 14 6.630 -7.662 4.762
94 HG3 GLU 14 HG3 GLU 14 5.137 -7.464 5.676
95 H SER 15 HN SER 15 5.736 -5.137 0.256
96 HA SER 15 HA SER 15 3.018 -5.963 -0.231
97 HB2 SER 15 HB2 SER 15 3.349 -4.904 -2.443
98 HB3 SER 15 HB3 SER 15 3.814 -3.831 -1.123
99 HG SER 15 HG SER 15 5.744 -3.783 -1.928
100 H ILE 16 HN ILE 16 2.569 -8.006 -0.711
101 HA ILE 16 HA ILE 16 4.534 -9.620 -2.167
102 HB ILE 16 HB ILE 16 1.961 -10.588 -0.925
103 HG12 ILE 16 HG12 ILE 16 4.715 -10.619 0.328
104 HG13 ILE 16 HG13 ILE 16 3.463 -9.454 0.741
105 HG21 ILE 16 HG21 ILE 16 3.107 -12.761 -0.951
106 HG22 ILE 16 HG22 ILE 16 2.953 -12.078 -2.570
107 HG23 ILE 16 HG23 ILE 16 4.500 -12.008 -1.727
108 HD11 ILE 16 HD11 ILE 16 3.539 -11.223 2.378
109 HD12 ILE 16 HD12 ILE 16 2.022 -11.299 1.480
110 HD13 ILE 16 HD13 ILE 16 3.320 -12.436 1.116
111 H ALA 17 HN ALA 17 1.480 -8.067 -2.528
112 HA ALA 17 HA ALA 17 0.105 -7.754 -4.310
113 HB1 ALA 17 HB1 ALA 17 2.192 -7.428 -5.569
114 HB2 ALA 17 HB2 ALA 17 2.238 -9.158 -5.914
115 HB3 ALA 17 HB3 ALA 17 0.925 -8.168 -6.550
116 H ASP 18 HN ASP 18 -1.738 -8.798 -4.491
117 HA ASP 18 HA ASP 18 -3.295 -10.418 -4.802
118 HB2 ASP 18 HB2 ASP 18 -1.009 -11.954 -6.055
119 HB3 ASP 18 HB3 ASP 18 -2.708 -12.407 -6.149
120 H ASN 19 HN ASN 19 -1.127 -10.438 -2.560
121 HA ASN 19 HA ASN 19 -2.219 -12.787 -1.241
122 HB2 ASN 19 HB2 ASN 19 0.761 -12.350 -1.539
123 HB3 ASN 19 HB3 ASN 19 0.013 -13.569 -0.515
124 HD21 ASN 19 HD21 ASN 19 0.820 -12.637 -3.735
125 HD22 ASN 19 HD22 ASN 19 0.416 -14.133 -4.497
126 H ASN 20 HN ASN 20 -1.088 -9.619 -1.224
127 HA ASN 20 HA ASN 20 -1.814 -9.254 1.525
128 HB2 ASN 20 HB2 ASN 20 0.374 -9.995 2.039
129 HB3 ASN 20 HB3 ASN 20 1.076 -9.107 0.690
130 HD21 ASN 20 HD21 ASN 20 1.039 -6.773 0.817
131 HD22 ASN 20 HD22 ASN 20 1.167 -6.012 2.363
132 H ASP 21 HN ASP 21 0.097 -7.787 -1.097
133 HA ASP 21 HA ASP 21 -0.198 -5.139 -0.551
134 HB2 ASP 21 HB2 ASP 21 1.059 -6.176 -2.492
135 HB3 ASP 21 HB3 ASP 21 -0.475 -6.242 -3.347
136 H ASP 22 HN ASP 22 -2.483 -7.115 -2.437
137 HA ASP 22 HA ASP 22 -4.413 -4.964 -2.509
138 HB2 ASP 22 HB2 ASP 22 -4.355 -7.786 -3.548
139 HB3 ASP 22 HB3 ASP 22 -5.816 -6.803 -3.630
140 H SER 23 HN SER 23 -3.744 -5.758 0.119
141 HA SER 23 HA SER 23 -6.382 -6.535 1.072
142 HB2 SER 23 HB2 SER 23 -4.748 -8.580 0.812
143 HB3 SER 23 HB3 SER 23 -4.042 -7.947 2.297
144 HG SER 23 HG SER 23 -5.585 -9.195 3.091
145 H TYR 24 HN TYR 24 -3.073 -6.084 2.321
146 HA TYR 24 HA TYR 24 -4.150 -4.406 4.472
147 HB2 TYR 24 HB2 TYR 24 -2.743 -5.657 5.697
148 HB3 TYR 24 HB3 TYR 24 -2.022 -6.342 4.246
149 HD1 TYR 24 HD1 TYR 24 -1.779 -3.671 6.729
150 HD2 TYR 24 HD2 TYR 24 0.071 -5.524 3.382
151 HE1 TYR 24 HE1 TYR 24 0.284 -2.439 7.208
152 HE2 TYR 24 HE2 TYR 24 2.152 -4.298 3.847
153 HH TYR 24 HH TYR 24 2.883 -2.280 4.995
154 H PHE 25 HN PHE 25 -1.881 -4.402 1.806
155 HA PHE 25 HA PHE 25 -0.728 -1.853 2.363
156 HB2 PHE 25 HB2 PHE 25 0.304 -3.683 0.988
157 HB3 PHE 25 HB3 PHE 25 -0.854 -3.310 -0.275
158 HD1 PHE 25 HD1 PHE 25 1.565 -1.513 1.896
159 HD2 PHE 25 HD2 PHE 25 -0.122 -1.997 -1.972
160 HE1 PHE 25 HE1 PHE 25 3.077 0.220 1.040
161 HE2 PHE 25 HE2 PHE 25 1.398 -0.262 -2.853
162 HZ PHE 25 HZ PHE 25 3.019 0.812 -1.390
163 H GLN 26 HN GLN 26 -3.350 -3.040 0.345
164 HA GLN 26 HA GLN 26 -3.912 -0.362 -0.627
165 HB2 GLN 26 HB2 GLN 26 -5.101 -3.059 -1.277
166 HB3 GLN 26 HB3 GLN 26 -5.699 -1.555 -1.953
167 HG2 GLN 26 HG2 GLN 26 -2.867 -2.508 -2.261
168 HG3 GLN 26 HG3 GLN 26 -4.149 -2.845 -3.422
169 HE21 GLN 26 HE21 GLN 26 -3.122 -1.740 -5.068
170 HE22 GLN 26 HE22 GLN 26 -3.009 -0.016 -5.103
171 H ARG 27 HN ARG 27 -4.961 -2.593 1.754
172 HA ARG 27 HA ARG 27 -6.565 -2.563 3.353
173 HB2 ARG 27 HB2 ARG 27 -6.553 0.382 2.693
174 HB3 ARG 27 HB3 ARG 27 -7.424 -0.317 4.050
175 HG2 ARG 27 HG2 ARG 27 -5.341 -1.100 5.018
176 HG3 ARG 27 HG3 ARG 27 -4.445 -0.465 3.636
177 HD2 ARG 27 HD2 ARG 27 -4.334 1.042 5.568
178 HD3 ARG 27 HD3 ARG 27 -5.144 1.794 4.194
179 HE ARG 27 HE ARG 27 -7.121 0.648 5.764
180 HH11 ARG 27 HH12 ARG 27 -4.692 3.125 6.072
181 HH12 ARG 27 HH11 ARG 27 -5.608 4.065 7.202
182 HH21 ARG 27 HH22 ARG 27 -8.333 1.875 7.257
183 HH22 ARG 27 HH21 ARG 27 -7.676 3.351 7.879
184 H LYS 28 HN LYS 28 -8.120 -3.817 2.421
185 HA LYS 28 HA LYS 28 -10.439 -2.372 1.352
186 HB2 LYS 28 HB2 LYS 28 -8.914 -4.560 0.047
187 HB3 LYS 28 HB3 LYS 28 -10.668 -4.644 -0.058
188 HG2 LYS 28 HG2 LYS 28 -10.125 -3.494 -1.971
189 HG3 LYS 28 HG3 LYS 28 -10.483 -2.180 -0.849
190 HD2 LYS 28 HD2 LYS 28 -8.073 -1.948 -0.394
191 HD3 LYS 28 HD3 LYS 28 -7.742 -3.232 -1.557
192 HE2 LYS 28 HE2 LYS 28 -9.040 -0.570 -2.140
193 HE3 LYS 28 HE3 LYS 28 -7.399 -1.049 -2.570
194 HZ1 LYS 28 HZ1 LYS 28 -9.887 -2.319 -3.580
195 HZ2 LYS 28 HZ2 LYS 28 -8.310 -2.764 -4.004
196 HZ3 LYS 28 HZ3 LYS 28 -8.908 -1.245 -4.447
197 HA PRO 29 HA PRO 29 -11.574 -5.152 4.903
198 HB2 PRO 29 HB2 PRO 29 -13.543 -2.991 5.331
199 HB3 PRO 29 HB3 PRO 29 -12.417 -3.728 6.474
200 HG2 PRO 29 HG2 PRO 29 -12.027 -1.250 5.548
201 HG3 PRO 29 HG3 PRO 29 -10.667 -2.351 5.842
202 HD2 PRO 29 HD2 PRO 29 -11.988 -1.620 3.254
203 HD3 PRO 29 HD3 PRO 29 -10.261 -1.812 3.621
204 H LYS 30 HN LYS 30 -13.824 -3.232 2.909
205 HA LYS 30 HA LYS 30 -16.022 -4.961 3.176
206 HB2 LYS 30 HB2 LYS 30 -15.355 -3.045 0.932
207 HB3 LYS 30 HB3 LYS 30 -16.927 -3.789 1.195
208 HG2 LYS 30 HG2 LYS 30 -15.542 -1.954 3.140
209 HG3 LYS 30 HG3 LYS 30 -16.805 -1.469 2.009
210 HD2 LYS 30 HD2 LYS 30 -17.134 -3.576 4.143
211 HD3 LYS 30 HD3 LYS 30 -17.634 -1.893 4.314
212 HE2 LYS 30 HE2 LYS 30 -19.137 -2.159 2.390
213 HE3 LYS 30 HE3 LYS 30 -18.650 -3.848 2.253
214 HZ1 LYS 30 HZ1 LYS 30 -20.006 -2.633 4.600
215 HZ2 LYS 30 HZ2 LYS 30 -19.558 -4.256 4.449
216 HZ3 LYS 30 HZ3 LYS 30 -20.748 -3.609 3.434
217 H LEU 31 HN LEU 31 -15.951 -7.048 2.657
218 HA LEU 31 HA LEU 31 -14.589 -7.860 0.183
219 HB2 LEU 31 HB2 LEU 31 -15.456 -9.475 2.579
220 HB3 LEU 31 HB3 LEU 31 -14.752 -10.164 1.131
221 HG LEU 31 HG LEU 31 -13.362 -8.202 2.957
222 HD11 LEU 31 HD11 LEU 31 -13.042 -11.186 2.670
223 HD12 LEU 31 HD12 LEU 31 -12.011 -10.133 3.637
224 HD13 LEU 31 HD13 LEU 31 -13.709 -10.335 4.063
225 HD21 LEU 31 HD21 LEU 31 -12.375 -9.791 0.590
226 HD22 LEU 31 HD22 LEU 31 -12.565 -8.040 0.675
227 HD23 LEU 31 HD23 LEU 31 -11.357 -8.845 1.675
228 H THR 32 HN THR 32 -17.460 -8.885 2.047
229 HA THR 32 HA THR 32 -18.735 -10.039 -0.214
230 HB THR 32 HB THR 32 -19.258 -10.811 2.043
231 HG1 THR 32 HG1 THR 32 -20.955 -10.436 0.149
232 HG21 THR 32 HG21 THR 32 -20.532 -8.098 2.424
233 HG22 THR 32 HG22 THR 32 -19.074 -8.679 3.227
234 HG23 THR 32 HG23 THR 32 -20.626 -9.450 3.554
235 H GLU 33 HN GLU 33 -20.894 -9.370 -1.004
236 HA GLU 33 HA GLU 33 -20.834 -6.563 -1.716
237 HB2 GLU 33 HB2 GLU 33 -21.282 -8.272 -3.427
238 HB3 GLU 33 HB3 GLU 33 -22.729 -8.764 -2.557
239 HG2 GLU 33 HG2 GLU 33 -23.710 -6.562 -2.932
240 HG3 GLU 33 HG3 GLU 33 -22.256 -6.060 -3.794
241 H ALA 34 HN ALA 34 -22.030 -5.015 -0.833
242 HA ALA 34 HA ALA 34 -24.379 -5.782 0.765
243 HB1 ALA 34 HB1 ALA 34 -23.831 -4.036 2.374
244 HB2 ALA 34 HB2 ALA 34 -22.518 -5.206 2.246
245 HB3 ALA 34 HB3 ALA 34 -22.380 -3.634 1.459
246 HA PRO 35 HA PRO 35 -26.823 -2.979 -1.608
247 HB2 PRO 35 HB2 PRO 35 -27.812 -1.913 0.992
248 HB3 PRO 35 HB3 PRO 35 -28.722 -2.529 -0.392
249 HG2 PRO 35 HG2 PRO 35 -28.454 -3.994 1.811
250 HG3 PRO 35 HG3 PRO 35 -28.384 -4.744 0.206
251 HD2 PRO 35 HD2 PRO 35 -26.167 -4.107 2.102
252 HD3 PRO 35 HD3 PRO 35 -26.358 -5.498 1.015
Start of MODEL 5
1 H1 GLU 1 H1 GLU 1 1.388 13.807 17.882
2 H2 GLU 1 H2 GLU 1 1.179 12.142 18.091
3 H3 GLU 1 H3 GLU 1 0.134 13.004 17.079
4 HA GLU 1 HA GLU 1 3.037 12.658 16.625
5 HB2 GLU 1 HB2 GLU 1 2.473 11.080 14.892
6 HB3 GLU 1 HB3 GLU 1 1.735 10.549 16.395
7 HG2 GLU 1 HG2 GLU 1 0.277 12.061 14.241
8 HG3 GLU 1 HG3 GLU 1 0.293 10.304 14.386
9 H HIS 2 HN HIS 2 3.811 13.537 14.693
10 HA HIS 2 HA HIS 2 2.110 15.672 13.607
11 HB2 HIS 2 HB2 HIS 2 4.219 16.748 12.914
12 HB3 HIS 2 HB3 HIS 2 4.171 16.452 14.650
13 HD1 HIS 2 HD1 HIS 2 5.799 14.669 15.593
14 HD2 HIS 2 HD2 HIS 2 6.172 15.332 11.509
15 HE1 HIS 2 HE1 HIS 2 7.962 13.571 14.929
16 HE2 HIS 2 HE2 HIS 2 8.225 14.092 12.478
17 H LYS 3 HN LYS 3 3.600 12.706 12.819
18 HA LYS 3 HA LYS 3 3.855 13.163 9.998
19 HB2 LYS 3 HB2 LYS 3 3.843 10.598 11.596
20 HB3 LYS 3 HB3 LYS 3 4.221 10.708 9.882
21 HG2 LYS 3 HG2 LYS 3 6.136 12.140 10.397
22 HG3 LYS 3 HG3 LYS 3 5.761 12.014 12.116
23 HD2 LYS 3 HD2 LYS 3 6.362 9.651 10.345
24 HD3 LYS 3 HD3 LYS 3 7.571 10.476 11.329
25 HE2 LYS 3 HE2 LYS 3 6.276 9.958 13.342
26 HE3 LYS 3 HE3 LYS 3 5.073 9.129 12.355
27 HZ1 LYS 3 HZ1 LYS 3 7.930 8.347 12.571
28 HZ2 LYS 3 HZ2 LYS 3 6.734 7.527 11.701
29 HZ3 LYS 3 HZ3 LYS 3 6.654 7.596 13.389
30 H HIS 4 HN HIS 4 2.587 12.240 8.337
31 HA HIS 4 HA HIS 4 -0.016 11.148 9.064
32 HB2 HIS 4 HB2 HIS 4 -0.431 13.545 8.993
33 HB3 HIS 4 HB3 HIS 4 0.322 13.657 7.407
34 HD1 HIS 4 HD1 HIS 4 -1.243 13.569 5.494
35 HD2 HIS 4 HD2 HIS 4 -2.863 11.826 8.900
36 HE1 HIS 4 HE1 HIS 4 -3.602 12.955 4.877
37 HE2 HIS 4 HE2 HIS 4 -4.562 11.895 6.952
38 H SER 5 HN SER 5 -0.505 9.503 7.786
39 HA SER 5 HA SER 5 -0.495 8.018 6.068
40 HB2 SER 5 HB2 SER 5 -1.538 9.882 4.847
41 HB3 SER 5 HB3 SER 5 0.057 10.480 4.393
42 HG SER 5 HG SER 5 -0.617 7.832 3.782
43 H ASP 6 HN ASP 6 2.118 9.038 7.356
44 HA ASP 6 HA ASP 6 4.326 8.529 7.273
45 HB2 ASP 6 HB2 ASP 6 3.552 6.239 6.934
46 HB3 ASP 6 HB3 ASP 6 3.405 6.521 5.202
47 H GLU 7 HN GLU 7 3.755 7.776 3.873
48 HA GLU 7 HA GLU 7 4.407 10.238 2.742
49 HB2 GLU 7 HB2 GLU 7 6.758 9.705 1.966
50 HB3 GLU 7 HB3 GLU 7 6.592 10.139 3.660
51 HG2 GLU 7 HG2 GLU 7 6.681 7.769 4.267
52 HG3 GLU 7 HG3 GLU 7 6.876 7.351 2.565
53 H SER 8 HN SER 8 5.286 6.813 2.302
54 HA SER 8 HA SER 8 4.029 6.931 -0.359
55 HB2 SER 8 HB2 SER 8 6.278 5.125 0.576
56 HB3 SER 8 HB3 SER 8 5.553 5.117 -1.033
57 HG SER 8 HG SER 8 6.308 7.607 -0.412
58 H THR 9 HN THR 9 3.365 6.129 2.615
59 HA THR 9 HA THR 9 2.110 4.604 3.723
60 HB THR 9 HB THR 9 0.098 3.905 2.642
61 HG1 THR 9 HG1 THR 9 0.237 4.649 0.166
62 HG21 THR 9 HG21 THR 9 -0.697 6.019 1.670
63 HG22 THR 9 HG22 THR 9 0.971 6.583 1.564
64 HG23 THR 9 HG23 THR 9 0.240 6.281 3.140
65 H SER 10 HN SER 10 3.910 3.204 4.069
66 HA SER 10 HA SER 10 4.941 1.183 4.130
67 HB2 SER 10 HB2 SER 10 2.643 0.351 4.473
68 HB3 SER 10 HB3 SER 10 2.436 0.218 2.727
69 HG SER 10 HG SER 10 3.516 -1.583 2.753
70 H GLU 11 HN GLU 11 5.263 2.995 1.821
71 HA GLU 11 HA GLU 11 6.379 3.062 -0.158
72 HB2 GLU 11 HB2 GLU 11 7.142 0.242 0.618
73 HB3 GLU 11 HB3 GLU 11 7.874 1.151 -0.696
74 HG2 GLU 11 HG2 GLU 11 8.703 2.801 0.884
75 HG3 GLU 11 HG3 GLU 11 7.934 1.931 2.211
76 H SEP 12 HN SER 12 3.604 1.787 0.142
77 HA SEP 12 HA SER 12 1.971 1.074 -1.260
78 HB2 SEP 12 HB2 SER 12 4.084 1.428 -3.398
79 HB3 SEP 12 HB3 SER 12 2.375 1.117 -3.708
80 H PHE 13 HN PHE 13 4.766 -0.604 -0.684
81 HA PHE 13 HA PHE 13 3.598 -3.127 -0.843
82 HB2 PHE 13 HB2 PHE 13 4.864 -4.112 -2.738
83 HB3 PHE 13 HB3 PHE 13 3.693 -2.906 -3.255
84 HD1 PHE 13 HD1 PHE 13 4.426 -0.748 -4.115
85 HD2 PHE 13 HD2 PHE 13 7.225 -3.746 -2.976
86 HE1 PHE 13 HE1 PHE 13 6.203 0.457 -5.319
87 HE2 PHE 13 HE2 PHE 13 9.005 -2.547 -4.179
88 HZ PHE 13 HZ PHE 13 8.482 -0.458 -5.385
89 H GLU 14 HN GLU 14 4.782 -4.566 0.289
90 HA GLU 14 HA GLU 14 7.617 -4.414 0.531
91 HB2 GLU 14 HB2 GLU 14 6.926 -2.576 2.043
92 HB3 GLU 14 HB3 GLU 14 5.949 -3.718 2.957
93 HG2 GLU 14 HG2 GLU 14 7.932 -4.955 3.585
94 HG3 GLU 14 HG3 GLU 14 8.934 -3.874 2.618
95 H SER 15 HN SER 15 4.592 -5.853 0.996
96 HA SER 15 HA SER 15 5.693 -8.164 2.414
97 HB2 SER 15 HB2 SER 15 3.433 -8.824 2.835
98 HB3 SER 15 HB3 SER 15 3.497 -7.084 3.101
99 HG SER 15 HG SER 15 2.558 -6.768 1.092
100 H ILE 16 HN ILE 16 3.849 -10.068 1.375
101 HA ILE 16 HA ILE 16 5.293 -11.043 -0.832
102 HB ILE 16 HB ILE 16 2.608 -11.827 0.304
103 HG12 ILE 16 HG12 ILE 16 4.023 -13.902 0.908
104 HG13 ILE 16 HG13 ILE 16 5.418 -12.896 0.538
105 HG21 ILE 16 HG21 ILE 16 4.170 -13.156 -1.906
106 HG22 ILE 16 HG22 ILE 16 2.814 -13.894 -1.054
107 HG23 ILE 16 HG23 ILE 16 2.564 -12.440 -2.018
108 HD11 ILE 16 HD11 ILE 16 4.761 -13.043 2.958
109 HD12 ILE 16 HD12 ILE 16 4.929 -11.412 2.306
110 HD13 ILE 16 HD13 ILE 16 3.326 -12.107 2.540
111 H ALA 17 HN ALA 17 2.298 -9.216 -0.578
112 HA ALA 17 HA ALA 17 0.993 -8.160 -2.108
113 HB1 ALA 17 HB1 ALA 17 3.424 -8.338 -3.880
114 HB2 ALA 17 HB2 ALA 17 2.045 -7.258 -4.093
115 HB3 ALA 17 HB3 ALA 17 3.106 -7.068 -2.697
116 H ASP 18 HN ASP 18 0.321 -8.318 -4.604
117 HA ASP 18 HA ASP 18 -0.745 -9.533 -6.194
118 HB2 ASP 18 HB2 ASP 18 1.502 -10.551 -6.552
119 HB3 ASP 18 HB3 ASP 18 1.089 -11.800 -5.382
120 H ASN 19 HN ASN 19 -0.985 -9.969 -3.052
121 HA ASN 19 HA ASN 19 -3.529 -11.113 -3.068
122 HB2 ASN 19 HB2 ASN 19 -3.180 -13.257 -2.139
123 HB3 ASN 19 HB3 ASN 19 -2.090 -13.164 -3.510
124 HD21 ASN 19 HD21 ASN 19 -0.249 -11.395 -2.029
125 HD22 ASN 19 HD22 ASN 19 0.599 -12.429 -0.935
126 H ASN 20 HN ASN 20 -0.980 -9.523 -1.729
127 HA ASN 20 HA ASN 20 -2.148 -9.526 0.972
128 HB2 ASN 20 HB2 ASN 20 0.347 -10.208 0.518
129 HB3 ASN 20 HB3 ASN 20 0.598 -8.474 0.385
130 HD21 ASN 20 HD21 ASN 20 -1.454 -7.847 2.328
131 HD22 ASN 20 HD22 ASN 20 -0.798 -8.239 3.876
132 H ASP 21 HN ASP 21 -0.359 -7.372 -1.233
133 HA ASP 21 HA ASP 21 -0.982 -4.956 -0.026
134 HB2 ASP 21 HB2 ASP 21 -0.357 -3.902 -2.107
135 HB3 ASP 21 HB3 ASP 21 0.697 -5.288 -1.837
136 H ASP 22 HN ASP 22 -2.976 -7.006 -1.964
137 HA ASP 22 HA ASP 22 -4.846 -5.151 -2.920
138 HB2 ASP 22 HB2 ASP 22 -4.522 -7.637 -3.503
139 HB3 ASP 22 HB3 ASP 22 -5.543 -7.961 -2.105
140 H SER 23 HN SER 23 -4.176 -6.068 0.244
141 HA SER 23 HA SER 23 -6.509 -4.662 1.233
142 HB2 SER 23 HB2 SER 23 -7.263 -7.018 1.077
143 HB3 SER 23 HB3 SER 23 -5.922 -7.494 2.118
144 HG SER 23 HG SER 23 -6.835 -6.380 3.797
145 H TYR 24 HN TYR 24 -3.388 -4.833 1.189
146 HA TYR 24 HA TYR 24 -3.051 -4.226 4.048
147 HB2 TYR 24 HB2 TYR 24 -1.805 -6.148 3.933
148 HB3 TYR 24 HB3 TYR 24 -1.453 -5.949 2.225
149 HD1 TYR 24 HD1 TYR 24 -0.703 -4.184 5.425
150 HD2 TYR 24 HD2 TYR 24 0.774 -5.605 1.698
151 HE1 TYR 24 HE1 TYR 24 1.531 -3.358 6.008
152 HE2 TYR 24 HE2 TYR 24 3.022 -4.789 2.274
153 HH TYR 24 HH TYR 24 4.082 -3.179 3.724
154 H PHE 25 HN PHE 25 -2.308 -3.459 0.733
155 HA PHE 25 HA PHE 25 -0.803 -1.084 1.535
156 HB2 PHE 25 HB2 PHE 25 0.383 -1.624 -0.291
157 HB3 PHE 25 HB3 PHE 25 -0.805 -2.823 -0.775
158 HD1 PHE 25 HD1 PHE 25 0.222 0.689 -1.096
159 HD2 PHE 25 HD2 PHE 25 -2.415 -2.352 -2.476
160 HE1 PHE 25 HE1 PHE 25 -0.412 2.109 -3.002
161 HE2 PHE 25 HE2 PHE 25 -3.054 -0.937 -4.386
162 HZ PHE 25 HZ PHE 25 -2.055 1.288 -4.657
163 H GLN 26 HN GLN 26 -3.863 -2.114 0.294
164 HA GLN 26 HA GLN 26 -4.732 0.699 0.131
165 HB2 GLN 26 HB2 GLN 26 -6.377 0.001 -1.568
166 HB3 GLN 26 HB3 GLN 26 -4.725 -0.285 -2.096
167 HG2 GLN 26 HG2 GLN 26 -4.938 -2.641 -1.563
168 HG3 GLN 26 HG3 GLN 26 -6.573 -2.373 -0.964
169 HE21 GLN 26 HE21 GLN 26 -7.185 -0.446 -3.079
170 HE22 GLN 26 HE22 GLN 26 -7.432 -1.377 -4.512
171 H ARG 27 HN ARG 27 -5.380 -2.542 1.218
172 HA ARG 27 HA ARG 27 -6.870 -3.419 2.691
173 HB2 ARG 27 HB2 ARG 27 -7.103 -0.539 3.580
174 HB3 ARG 27 HB3 ARG 27 -7.713 -1.925 4.475
175 HG2 ARG 27 HG2 ARG 27 -5.445 -2.784 4.713
176 HG3 ARG 27 HG3 ARG 27 -4.825 -1.412 3.794
177 HD2 ARG 27 HD2 ARG 27 -6.303 -1.250 6.418
178 HD3 ARG 27 HD3 ARG 27 -4.559 -1.094 6.212
179 HE ARG 27 HE ARG 27 -5.743 0.796 4.561
180 HH11 ARG 27 HH12 ARG 27 -5.549 0.095 7.969
181 HH12 ARG 27 HH11 ARG 27 -5.696 1.753 8.449
182 HH21 ARG 27 HH22 ARG 27 -5.945 2.980 5.184
183 HH22 ARG 27 HH21 ARG 27 -5.921 3.393 6.867
184 H LYS 28 HN LYS 28 -8.230 -3.920 0.851
185 HA LYS 28 HA LYS 28 -10.791 -2.487 0.991
186 HB2 LYS 28 HB2 LYS 28 -9.122 -3.056 -1.390
187 HB3 LYS 28 HB3 LYS 28 -10.848 -3.334 -1.567
188 HG2 LYS 28 HG2 LYS 28 -10.516 -1.145 -2.299
189 HG3 LYS 28 HG3 LYS 28 -11.153 -0.972 -0.661
190 HD2 LYS 28 HD2 LYS 28 -8.935 -0.568 0.201
191 HD3 LYS 28 HD3 LYS 28 -8.223 -0.891 -1.380
192 HE2 LYS 28 HE2 LYS 28 -10.117 1.363 -0.722
193 HE3 LYS 28 HE3 LYS 28 -8.373 1.514 -0.918
194 HZ1 LYS 28 HZ1 LYS 28 -9.547 2.165 -2.924
195 HZ2 LYS 28 HZ2 LYS 28 -10.281 0.645 -3.023
196 HZ3 LYS 28 HZ3 LYS 28 -8.607 0.789 -3.213
197 HA PRO 29 HA PRO 29 -11.408 -7.022 1.752
198 HB2 PRO 29 HB2 PRO 29 -13.454 -6.032 3.616
199 HB3 PRO 29 HB3 PRO 29 -12.103 -7.128 3.917
200 HG2 PRO 29 HG2 PRO 29 -12.136 -4.618 4.885
201 HG3 PRO 29 HG3 PRO 29 -10.633 -5.405 4.367
202 HD2 PRO 29 HD2 PRO 29 -12.316 -3.395 2.914
203 HD3 PRO 29 HD3 PRO 29 -10.548 -3.488 3.058
204 H LYS 30 HN LYS 30 -13.921 -4.504 1.753
205 HA LYS 30 HA LYS 30 -15.558 -6.218 0.007
206 HB2 LYS 30 HB2 LYS 30 -17.483 -4.828 0.791
207 HB3 LYS 30 HB3 LYS 30 -16.718 -5.765 2.066
208 HG2 LYS 30 HG2 LYS 30 -15.770 -2.987 1.654
209 HG3 LYS 30 HG3 LYS 30 -17.367 -3.214 2.371
210 HD2 LYS 30 HD2 LYS 30 -14.885 -4.581 3.394
211 HD3 LYS 30 HD3 LYS 30 -15.448 -3.023 3.999
212 HE2 LYS 30 HE2 LYS 30 -17.592 -4.061 4.618
213 HE3 LYS 30 HE3 LYS 30 -16.989 -5.617 4.053
214 HZ1 LYS 30 HZ1 LYS 30 -16.788 -5.379 6.455
215 HZ2 LYS 30 HZ2 LYS 30 -15.804 -4.016 6.257
216 HZ3 LYS 30 HZ3 LYS 30 -15.266 -5.533 5.731
217 H LEU 31 HN LEU 31 -13.377 -3.999 -0.339
218 HA LEU 31 HA LEU 31 -12.872 -2.351 -1.812
219 HB2 LEU 31 HB2 LEU 31 -15.064 -3.784 -3.295
220 HB3 LEU 31 HB3 LEU 31 -14.210 -2.420 -3.993
221 HG LEU 31 HG LEU 31 -12.066 -3.752 -3.576
222 HD11 LEU 31 HD11 LEU 31 -13.716 -6.206 -3.687
223 HD12 LEU 31 HD12 LEU 31 -12.120 -5.940 -2.987
224 HD13 LEU 31 HD13 LEU 31 -13.562 -5.404 -2.124
225 HD21 LEU 31 HD21 LEU 31 -14.087 -4.794 -5.557
226 HD22 LEU 31 HD22 LEU 31 -13.034 -3.399 -5.788
227 HD23 LEU 31 HD23 LEU 31 -12.339 -5.014 -5.646
228 H THR 32 HN THR 32 -13.435 -0.654 -0.445
229 HA THR 32 HA THR 32 -14.530 1.211 0.255
230 HB THR 32 HB THR 32 -15.585 2.579 -1.423
231 HG1 THR 32 HG1 THR 32 -16.746 1.646 -2.914
232 HG21 THR 32 HG21 THR 32 -13.329 0.987 -2.645
233 HG22 THR 32 HG22 THR 32 -13.153 2.373 -1.568
234 HG23 THR 32 HG23 THR 32 -13.865 2.585 -3.168
235 H GLU 33 HN GLU 33 -16.946 2.317 -0.030
236 HA GLU 33 HA GLU 33 -19.078 2.225 0.752
237 HB2 GLU 33 HB2 GLU 33 -18.998 -0.469 -0.617
238 HB3 GLU 33 HB3 GLU 33 -20.463 0.298 -0.017
239 HG2 GLU 33 HG2 GLU 33 -20.179 2.133 -1.560
240 HG3 GLU 33 HG3 GLU 33 -18.646 1.462 -2.116
241 H ALA 34 HN ALA 34 -20.676 0.346 1.849
242 HA ALA 34 HA ALA 34 -19.157 -1.128 3.850
243 HB1 ALA 34 HB1 ALA 34 -20.331 -0.109 5.730
244 HB2 ALA 34 HB2 ALA 34 -19.411 1.098 4.832
245 HB3 ALA 34 HB3 ALA 34 -21.160 0.990 4.628
246 HA PRO 35 HA PRO 35 -22.350 -4.138 3.453
247 HB2 PRO 35 HB2 PRO 35 -22.346 -4.381 6.413
248 HB3 PRO 35 HB3 PRO 35 -22.077 -5.618 5.182
249 HG2 PRO 35 HG2 PRO 35 -20.046 -4.660 6.617
250 HG3 PRO 35 HG3 PRO 35 -19.849 -5.039 4.895
251 HD2 PRO 35 HD2 PRO 35 -20.189 -2.382 6.226
252 HD3 PRO 35 HD3 PRO 35 -19.150 -2.834 4.859
Start of MODEL 6
1 H1 GLU 1 H1 GLU 1 16.048 -0.869 -2.201
2 H2 GLU 1 H2 GLU 1 15.195 0.234 -1.246
3 H3 GLU 1 H3 GLU 1 15.764 0.699 -2.769
4 HA GLU 1 HA GLU 1 14.291 -0.834 -3.855
5 HB2 GLU 1 HB2 GLU 1 13.333 -1.448 -1.051
6 HB3 GLU 1 HB3 GLU 1 12.606 -2.054 -2.533
7 HG2 GLU 1 HG2 GLU 1 15.396 -2.641 -1.566
8 HG3 GLU 1 HG3 GLU 1 14.013 -3.732 -1.477
9 H HIS 2 HN HIS 2 13.397 0.953 -0.909
10 HA HIS 2 HA HIS 2 11.254 2.275 -2.419
11 HB2 HIS 2 HB2 HIS 2 10.432 3.010 -0.193
12 HB3 HIS 2 HB3 HIS 2 10.519 1.258 -0.345
13 HD1 HIS 2 HD1 HIS 2 11.961 4.132 1.526
14 HD2 HIS 2 HD2 HIS 2 12.493 0.020 1.253
15 HE1 HIS 2 HE1 HIS 2 13.383 3.506 3.502
16 HE2 HIS 2 HE2 HIS 2 13.716 1.017 3.302
17 H LYS 3 HN LYS 3 11.244 4.431 -2.799
18 HA LYS 3 HA LYS 3 13.686 5.857 -2.661
19 HB2 LYS 3 HB2 LYS 3 12.023 6.245 -4.419
20 HB3 LYS 3 HB3 LYS 3 10.883 6.840 -3.223
21 HG2 LYS 3 HG2 LYS 3 12.419 8.696 -2.716
22 HG3 LYS 3 HG3 LYS 3 13.504 8.113 -3.982
23 HD2 LYS 3 HD2 LYS 3 11.734 8.419 -5.639
24 HD3 LYS 3 HD3 LYS 3 10.645 8.992 -4.376
25 HE2 LYS 3 HE2 LYS 3 13.220 10.298 -5.251
26 HE3 LYS 3 HE3 LYS 3 11.588 10.867 -5.602
27 HZ1 LYS 3 HZ1 LYS 3 11.234 11.182 -3.229
28 HZ2 LYS 3 HZ2 LYS 3 12.563 12.083 -3.763
29 HZ3 LYS 3 HZ3 LYS 3 12.806 10.648 -2.901
30 H HIS 4 HN HIS 4 14.409 7.384 -1.257
31 HA HIS 4 HA HIS 4 13.074 7.555 1.305
32 HB2 HIS 4 HB2 HIS 4 15.676 8.746 0.329
33 HB3 HIS 4 HB3 HIS 4 15.087 8.849 1.984
34 HD1 HIS 4 HD1 HIS 4 17.024 6.733 -0.262
35 HD2 HIS 4 HD2 HIS 4 14.911 6.236 3.282
36 HE1 HIS 4 HE1 HIS 4 17.822 4.547 0.693
37 HE2 HIS 4 HE2 HIS 4 16.548 4.279 2.852
38 H SER 5 HN SER 5 11.461 8.949 1.539
39 HA SER 5 HA SER 5 11.869 11.745 1.103
40 HB2 SER 5 HB2 SER 5 11.301 11.108 -1.192
41 HB3 SER 5 HB3 SER 5 9.826 10.325 -0.624
42 HG SER 5 HG SER 5 10.093 12.812 -1.348
43 H ASP 6 HN ASP 6 9.927 9.052 2.064
44 HA ASP 6 HA ASP 6 8.268 8.780 3.592
45 HB2 ASP 6 HB2 ASP 6 9.340 11.398 4.668
46 HB3 ASP 6 HB3 ASP 6 8.265 10.305 5.533
47 H GLU 7 HN GLU 7 6.470 8.917 2.312
48 HA GLU 7 HA GLU 7 4.893 11.351 2.600
49 HB2 GLU 7 HB2 GLU 7 5.648 10.164 -0.074
50 HB3 GLU 7 HB3 GLU 7 4.286 11.253 0.139
51 HG2 GLU 7 HG2 GLU 7 7.110 11.962 0.883
52 HG3 GLU 7 HG3 GLU 7 6.396 12.310 -0.690
53 H SER 8 HN SER 8 4.747 8.428 0.593
54 HA SER 8 HA SER 8 2.232 7.710 1.949
55 HB2 SER 8 HB2 SER 8 3.116 7.129 -0.893
56 HB3 SER 8 HB3 SER 8 1.634 6.518 -0.156
57 HG SER 8 HG SER 8 0.733 8.412 -0.397
58 H THR 9 HN THR 9 5.372 7.040 1.914
59 HA THR 9 HA THR 9 6.683 5.301 2.530
60 HB THR 9 HB THR 9 4.060 4.162 3.500
61 HG1 THR 9 HG1 THR 9 5.641 6.131 4.398
62 HG21 THR 9 HG21 THR 9 5.694 2.373 3.227
63 HG22 THR 9 HG22 THR 9 5.442 2.713 4.938
64 HG23 THR 9 HG23 THR 9 6.889 3.307 4.125
65 H SER 10 HN SER 10 7.496 4.478 0.688
66 HA SER 10 HA SER 10 7.856 3.045 -1.037
67 HB2 SER 10 HB2 SER 10 5.765 1.358 0.366
68 HB3 SER 10 HB3 SER 10 6.842 0.798 -0.914
69 HG SER 10 HG SER 10 7.404 1.417 1.754
70 H GLU 11 HN GLU 11 5.560 5.047 -0.972
71 HA GLU 11 HA GLU 11 3.962 5.820 -2.388
72 HB2 GLU 11 HB2 GLU 11 5.195 3.783 -4.251
73 HB3 GLU 11 HB3 GLU 11 4.030 5.004 -4.741
74 HG2 GLU 11 HG2 GLU 11 6.181 5.791 -5.335
75 HG3 GLU 11 HG3 GLU 11 5.636 6.743 -3.953
76 H SEP 12 HN SER 12 3.680 3.128 -0.813
77 HA SEP 12 HA SER 12 2.083 1.545 -0.449
78 HB2 SEP 12 HB2 SER 12 0.325 3.637 -1.759
79 HB3 SEP 12 HB3 SER 12 -0.248 2.284 -0.783
80 H PHE 13 HN PHE 13 3.422 0.510 -2.314
81 HA PHE 13 HA PHE 13 1.477 -0.504 -4.245
82 HB2 PHE 13 HB2 PHE 13 3.078 1.403 -5.132
83 HB3 PHE 13 HB3 PHE 13 4.232 0.079 -5.246
84 HD1 PHE 13 HD1 PHE 13 0.635 0.650 -6.085
85 HD2 PHE 13 HD2 PHE 13 4.413 -0.875 -7.317
86 HE1 PHE 13 HE1 PHE 13 -0.339 -0.007 -8.247
87 HE2 PHE 13 HE2 PHE 13 3.446 -1.534 -9.480
88 HZ PHE 13 HZ PHE 13 1.066 -1.090 -9.951
89 H GLU 14 HN GLU 14 4.085 -1.704 -5.515
90 HA GLU 14 HA GLU 14 5.118 -3.710 -5.479
91 HB2 GLU 14 HB2 GLU 14 5.139 -3.314 -2.486
92 HB3 GLU 14 HB3 GLU 14 6.207 -4.337 -3.430
93 HG2 GLU 14 HG2 GLU 14 7.111 -2.342 -4.542
94 HG3 GLU 14 HG3 GLU 14 6.083 -1.338 -3.520
95 H SER 15 HN SER 15 2.179 -3.580 -5.228
96 HA SER 15 HA SER 15 1.152 -5.490 -3.477
97 HB2 SER 15 HB2 SER 15 -0.753 -5.643 -5.063
98 HB3 SER 15 HB3 SER 15 -0.296 -3.974 -4.719
99 HG SER 15 HG SER 15 -0.361 -5.257 -7.078
100 H ILE 16 HN ILE 16 0.708 -7.677 -3.658
101 HA ILE 16 HA ILE 16 2.048 -9.092 -5.869
102 HB ILE 16 HB ILE 16 1.968 -10.050 -3.007
103 HG12 ILE 16 HG12 ILE 16 4.321 -8.919 -4.536
104 HG13 ILE 16 HG13 ILE 16 3.398 -8.023 -3.335
105 HG21 ILE 16 HG21 ILE 16 3.563 -11.730 -3.780
106 HG22 ILE 16 HG22 ILE 16 2.050 -11.829 -4.679
107 HG23 ILE 16 HG23 ILE 16 3.466 -11.079 -5.415
108 HD11 ILE 16 HD11 ILE 16 5.435 -8.872 -2.368
109 HD12 ILE 16 HD12 ILE 16 4.044 -9.673 -1.638
110 HD13 ILE 16 HD13 ILE 16 5.012 -10.515 -2.850
111 H ALA 17 HN ALA 17 -0.524 -9.095 -3.460
112 HA ALA 17 HA ALA 17 -2.250 -10.548 -5.238
113 HB1 ALA 17 HB1 ALA 17 -1.011 -12.406 -4.265
114 HB2 ALA 17 HB2 ALA 17 -1.440 -11.858 -2.645
115 HB3 ALA 17 HB3 ALA 17 -2.696 -12.429 -3.745
116 H ASP 18 HN ASP 18 -2.479 -10.670 -1.723
117 HA ASP 18 HA ASP 18 -3.993 -8.319 -1.356
118 HB2 ASP 18 HB2 ASP 18 -5.595 -9.673 -2.765
119 HB3 ASP 18 HB3 ASP 18 -5.677 -10.829 -1.439
120 H ASN 19 HN ASN 19 -1.959 -10.181 -0.154
121 HA ASN 19 HA ASN 19 -2.880 -9.936 2.579
122 HB2 ASN 19 HB2 ASN 19 -2.387 -12.292 3.134
123 HB3 ASN 19 HB3 ASN 19 -3.723 -12.149 1.996
124 HD21 ASN 19 HD21 ASN 19 -0.404 -13.092 2.426
125 HD22 ASN 19 HD22 ASN 19 -0.255 -13.977 0.949
126 H ASN 20 HN ASN 20 -0.536 -9.756 0.276
127 HA ASN 20 HA ASN 20 1.687 -10.069 2.158
128 HB2 ASN 20 HB2 ASN 20 2.555 -9.588 -0.483
129 HB3 ASN 20 HB3 ASN 20 2.673 -11.097 0.419
130 HD21 ASN 20 HD21 ASN 20 0.373 -9.141 -1.409
131 HD22 ASN 20 HD22 ASN 20 -0.427 -10.460 -2.175
132 H ASP 21 HN ASP 21 0.336 -7.936 -0.330
133 HA ASP 21 HA ASP 21 1.499 -5.651 1.008
134 HB2 ASP 21 HB2 ASP 21 1.997 -6.482 -1.823
135 HB3 ASP 21 HB3 ASP 21 2.007 -4.779 -1.391
136 H ASP 22 HN ASP 22 -0.667 -6.868 -1.507
137 HA ASP 22 HA ASP 22 -2.170 -4.426 -1.669
138 HB2 ASP 22 HB2 ASP 22 -1.938 -5.843 -3.621
139 HB3 ASP 22 HB3 ASP 22 -2.626 -7.209 -2.754
140 H SER 23 HN SER 23 -1.943 -5.486 0.966
141 HA SER 23 HA SER 23 -4.763 -6.072 1.549
142 HB2 SER 23 HB2 SER 23 -3.753 -8.103 2.081
143 HB3 SER 23 HB3 SER 23 -2.272 -7.335 2.651
144 HG SER 23 HG SER 23 -3.215 -7.765 4.515
145 H TYR 24 HN TYR 24 -1.768 -4.520 2.574
146 HA TYR 24 HA TYR 24 -3.375 -2.848 4.394
147 HB2 TYR 24 HB2 TYR 24 -1.298 -2.558 5.759
148 HB3 TYR 24 HB3 TYR 24 -1.943 -4.195 5.761
149 HD1 TYR 24 HD2 TYR 24 -0.771 -5.988 4.554
150 HD2 TYR 24 HD1 TYR 24 0.844 -2.061 4.801
151 HE1 TYR 24 HE2 TYR 24 1.425 -6.856 3.870
152 HE2 TYR 24 HE1 TYR 24 3.046 -2.917 4.117
153 HH TYR 24 HH TYR 24 4.284 -5.009 4.103
154 H PHE 25 HN PHE 25 -1.916 -2.799 1.515
155 HA PHE 25 HA PHE 25 -0.904 -0.050 1.809
156 HB2 PHE 25 HB2 PHE 25 -0.280 -2.251 -0.128
157 HB3 PHE 25 HB3 PHE 25 -0.061 -0.581 -0.626
158 HD1 PHE 25 HD1 PHE 25 1.003 0.720 1.715
159 HD2 PHE 25 HD2 PHE 25 1.803 -3.176 0.202
160 HE1 PHE 25 HE1 PHE 25 3.205 0.749 2.813
161 HE2 PHE 25 HE2 PHE 25 4.006 -3.152 1.293
162 HZ PHE 25 HZ PHE 25 4.731 -1.176 2.562
163 H GLN 26 HN GLN 26 -2.945 -2.110 -0.229
164 HA GLN 26 HA GLN 26 -4.334 0.318 -1.157
165 HB2 GLN 26 HB2 GLN 26 -4.065 -2.314 -2.621
166 HB3 GLN 26 HB3 GLN 26 -4.884 -0.876 -3.214
167 HG2 GLN 26 HG2 GLN 26 -2.782 0.331 -3.265
168 HG3 GLN 26 HG3 GLN 26 -1.944 -1.071 -2.602
169 HE21 GLN 26 HE21 GLN 26 -3.503 0.285 -5.396
170 HE22 GLN 26 HE22 GLN 26 -2.914 -0.869 -6.538
171 H ARG 27 HN ARG 27 -4.665 -3.050 -0.165
172 HA ARG 27 HA ARG 27 -6.413 -4.273 0.603
173 HB2 ARG 27 HB2 ARG 27 -6.223 -2.163 2.191
174 HB3 ARG 27 HB3 ARG 27 -7.806 -1.800 1.515
175 HG2 ARG 27 HG2 ARG 27 -8.598 -4.010 2.237
176 HG3 ARG 27 HG3 ARG 27 -7.019 -4.317 2.962
177 HD2 ARG 27 HD2 ARG 27 -8.969 -2.148 3.724
178 HD3 ARG 27 HD3 ARG 27 -8.566 -3.581 4.667
179 HE ARG 27 HE ARG 27 -6.191 -2.507 4.547
180 HH11 ARG 27 HH12 ARG 27 -9.240 -0.863 4.948
181 HH12 ARG 27 HH11 ARG 27 -8.557 0.450 5.849
182 HH21 ARG 27 HH22 ARG 27 -5.287 -0.778 5.730
183 HH22 ARG 27 HH21 ARG 27 -6.313 0.498 6.294
184 H LYS 28 HN LYS 28 -7.190 -4.903 -1.442
185 HA LYS 28 HA LYS 28 -9.731 -3.617 -2.178
186 HB2 LYS 28 HB2 LYS 28 -7.373 -4.160 -3.856
187 HB3 LYS 28 HB3 LYS 28 -8.902 -4.676 -4.552
188 HG2 LYS 28 HG2 LYS 28 -8.526 -2.497 -5.343
189 HG3 LYS 28 HG3 LYS 28 -9.754 -2.346 -4.084
190 HD2 LYS 28 HD2 LYS 28 -8.103 -1.590 -2.502
191 HD3 LYS 28 HD3 LYS 28 -6.805 -1.885 -3.659
192 HE2 LYS 28 HE2 LYS 28 -9.027 0.138 -3.923
193 HE3 LYS 28 HE3 LYS 28 -7.333 0.483 -3.571
194 HZ1 LYS 28 HZ1 LYS 28 -7.829 0.863 -5.896
195 HZ2 LYS 28 HZ2 LYS 28 -8.374 -0.727 -6.077
196 HZ3 LYS 28 HZ3 LYS 28 -6.744 -0.426 -5.739
197 HA PRO 29 HA PRO 29 -10.383 -8.145 -1.341
198 HB2 PRO 29 HB2 PRO 29 -12.865 -7.191 -0.103
199 HB3 PRO 29 HB3 PRO 29 -11.589 -8.199 0.583
200 HG2 PRO 29 HG2 PRO 29 -11.981 -5.656 1.378
201 HG3 PRO 29 HG3 PRO 29 -10.368 -6.389 1.318
202 HD2 PRO 29 HD2 PRO 29 -11.673 -4.515 -0.626
203 HD3 PRO 29 HD3 PRO 29 -10.001 -4.528 -0.021
204 H LYS 30 HN LYS 30 -13.047 -5.850 -1.960
205 HA LYS 30 HA LYS 30 -14.593 -7.668 -3.465
206 HB2 LYS 30 HB2 LYS 30 -14.641 -4.645 -3.457
207 HB3 LYS 30 HB3 LYS 30 -15.885 -5.674 -4.151
208 HG2 LYS 30 HG2 LYS 30 -15.098 -5.674 -1.245
209 HG3 LYS 30 HG3 LYS 30 -16.463 -4.783 -1.920
210 HD2 LYS 30 HD2 LYS 30 -17.472 -6.871 -2.671
211 HD3 LYS 30 HD3 LYS 30 -16.093 -7.775 -2.045
212 HE2 LYS 30 HE2 LYS 30 -16.622 -7.030 0.217
213 HE3 LYS 30 HE3 LYS 30 -17.983 -6.094 -0.402
214 HZ1 LYS 30 HZ1 LYS 30 -19.009 -8.147 -1.154
215 HZ2 LYS 30 HZ2 LYS 30 -18.703 -8.213 0.508
216 HZ3 LYS 30 HZ3 LYS 30 -17.700 -9.047 -0.569
217 H LEU 31 HN LEU 31 -14.776 -8.031 -5.631
218 HA LEU 31 HA LEU 31 -12.887 -6.622 -7.397
219 HB2 LEU 31 HB2 LEU 31 -13.560 -9.566 -7.455
220 HB3 LEU 31 HB3 LEU 31 -12.546 -8.735 -8.617
221 HG LEU 31 HG LEU 31 -11.911 -9.034 -5.680
222 HD11 LEU 31 HD11 LEU 31 -11.831 -11.174 -6.833
223 HD12 LEU 31 HD12 LEU 31 -10.800 -10.477 -8.082
224 HD13 LEU 31 HD13 LEU 31 -10.207 -10.622 -6.427
225 HD21 LEU 31 HD21 LEU 31 -10.267 -7.974 -7.978
226 HD22 LEU 31 HD22 LEU 31 -10.945 -7.022 -6.657
227 HD23 LEU 31 HD23 LEU 31 -9.695 -8.220 -6.327
228 H THR 32 HN THR 32 -15.579 -8.954 -7.603
229 HA THR 32 HA THR 32 -17.113 -7.109 -9.228
230 HB THR 32 HB THR 32 -16.555 -9.823 -10.409
231 HG1 THR 32 HG1 THR 32 -14.996 -8.773 -11.731
232 HG21 THR 32 HG21 THR 32 -18.518 -8.680 -11.252
233 HG22 THR 32 HG22 THR 32 -17.261 -8.674 -12.489
234 HG23 THR 32 HG23 THR 32 -17.577 -7.217 -11.545
235 H GLU 33 HN GLU 33 -17.078 -8.951 -6.712
236 HA GLU 33 HA GLU 33 -19.185 -10.814 -7.049
237 HB2 GLU 33 HB2 GLU 33 -18.224 -9.495 -4.504
238 HB3 GLU 33 HB3 GLU 33 -19.195 -10.955 -4.611
239 HG2 GLU 33 HG2 GLU 33 -16.394 -10.650 -5.666
240 HG3 GLU 33 HG3 GLU 33 -16.835 -11.417 -4.142
241 H ALA 34 HN ALA 34 -19.175 -7.732 -5.236
242 HA ALA 34 HA ALA 34 -21.915 -7.597 -4.801
243 HB1 ALA 34 HB1 ALA 34 -21.589 -5.221 -4.349
244 HB2 ALA 34 HB2 ALA 34 -20.315 -6.195 -3.616
245 HB3 ALA 34 HB3 ALA 34 -19.993 -5.293 -5.096
246 HA PRO 35 HA PRO 35 -22.399 -4.930 -8.793
247 HB2 PRO 35 HB2 PRO 35 -20.427 -5.023 -10.650
248 HB3 PRO 35 HB3 PRO 35 -20.461 -3.827 -9.349
249 HG2 PRO 35 HG2 PRO 35 -18.907 -6.378 -9.537
250 HG3 PRO 35 HG3 PRO 35 -18.379 -4.786 -8.963
251 HD2 PRO 35 HD2 PRO 35 -19.076 -6.792 -7.280
252 HD3 PRO 35 HD3 PRO 35 -19.327 -5.080 -6.886
Start of MODEL 7
1 H1 GLU 1 H1 GLU 1 4.866 8.272 -16.777
2 H2 GLU 1 H2 GLU 1 5.517 9.347 -15.646
3 H3 GLU 1 H3 GLU 1 3.951 9.587 -16.236
4 HA GLU 1 HA GLU 1 3.225 7.522 -15.215
5 HB2 GLU 1 HB2 GLU 1 6.006 7.520 -14.023
6 HB3 GLU 1 HB3 GLU 1 4.715 6.395 -13.623
7 HG2 GLU 1 HG2 GLU 1 6.060 6.678 -16.302
8 HG3 GLU 1 HG3 GLU 1 6.325 5.388 -15.130
9 H HIS 2 HN HIS 2 2.201 7.661 -13.220
10 HA HIS 2 HA HIS 2 2.199 10.277 -12.040
11 HB2 HIS 2 HB2 HIS 2 0.717 7.770 -11.220
12 HB3 HIS 2 HB3 HIS 2 0.404 9.391 -10.609
13 HD1 HIS 2 HD1 HIS 2 -1.032 10.923 -12.025
14 HD2 HIS 2 HD2 HIS 2 -0.086 7.353 -13.928
15 HE1 HIS 2 HE1 HIS 2 -2.483 10.849 -14.078
16 HE2 HIS 2 HE2 HIS 2 -1.967 8.632 -15.155
17 H LYS 3 HN LYS 3 2.091 10.375 -9.543
18 HA LYS 3 HA LYS 3 4.237 8.723 -8.393
19 HB2 LYS 3 HB2 LYS 3 3.855 11.702 -8.051
20 HB3 LYS 3 HB3 LYS 3 5.014 10.730 -7.154
21 HG2 LYS 3 HG2 LYS 3 6.183 10.184 -9.211
22 HG3 LYS 3 HG3 LYS 3 4.996 11.099 -10.144
23 HD2 LYS 3 HD2 LYS 3 6.948 12.466 -9.848
24 HD3 LYS 3 HD3 LYS 3 5.648 13.131 -8.857
25 HE2 LYS 3 HE2 LYS 3 7.744 13.124 -7.626
26 HE3 LYS 3 HE3 LYS 3 6.590 12.015 -6.888
27 HZ1 LYS 3 HZ1 LYS 3 8.809 11.235 -8.703
28 HZ2 LYS 3 HZ2 LYS 3 7.707 10.176 -7.979
29 HZ3 LYS 3 HZ3 LYS 3 8.797 11.044 -7.022
30 H HIS 4 HN HIS 4 1.850 11.183 -7.402
31 HA HIS 4 HA HIS 4 0.422 11.301 -5.637
32 HB2 HIS 4 HB2 HIS 4 0.394 8.312 -6.090
33 HB3 HIS 4 HB3 HIS 4 -0.702 9.144 -4.991
34 HD1 HIS 4 HD1 HIS 4 -0.093 8.463 -8.588
35 HD2 HIS 4 HD2 HIS 4 -2.670 10.743 -6.259
36 HE1 HIS 4 HE1 HIS 4 -1.937 9.183 -10.136
37 HE2 HIS 4 HE2 HIS 4 -3.514 10.519 -8.694
38 H SER 5 HN SER 5 1.814 12.099 -4.088
39 HA SER 5 HA SER 5 3.386 10.265 -2.477
40 HB2 SER 5 HB2 SER 5 4.372 12.416 -3.088
41 HB3 SER 5 HB3 SER 5 3.041 13.268 -2.303
42 HG SER 5 HG SER 5 3.821 12.745 -0.365
43 H ASP 6 HN ASP 6 2.521 9.230 -0.816
44 HA ASP 6 HA ASP 6 0.092 10.246 0.429
45 HB2 ASP 6 HB2 ASP 6 0.126 7.888 -0.183
46 HB3 ASP 6 HB3 ASP 6 1.574 7.633 0.788
47 H GLU 7 HN GLU 7 3.065 8.754 1.714
48 HA GLU 7 HA GLU 7 3.709 10.916 3.420
49 HB2 GLU 7 HB2 GLU 7 1.652 10.067 4.570
50 HB3 GLU 7 HB3 GLU 7 2.474 8.532 4.813
51 HG2 GLU 7 HG2 GLU 7 2.590 9.841 6.822
52 HG3 GLU 7 HG3 GLU 7 4.202 9.693 6.124
53 H SER 8 HN SER 8 3.745 7.371 3.789
54 HA SER 8 HA SER 8 6.633 7.463 4.178
55 HB2 SER 8 HB2 SER 8 6.374 5.057 4.784
56 HB3 SER 8 HB3 SER 8 5.377 6.123 5.772
57 HG SER 8 HG SER 8 3.648 5.219 4.986
58 H THR 9 HN THR 9 4.379 6.936 1.729
59 HA THR 9 HA THR 9 4.566 6.379 -0.463
60 HB THR 9 HB THR 9 7.547 6.192 -0.015
61 HG1 THR 9 HG1 THR 9 5.818 8.383 -0.214
62 HG21 THR 9 HG21 THR 9 7.670 6.804 -2.392
63 HG22 THR 9 HG22 THR 9 5.909 6.782 -2.484
64 HG23 THR 9 HG23 THR 9 6.795 5.293 -2.159
65 H SER 10 HN SER 10 5.366 4.363 2.034
66 HA SER 10 HA SER 10 5.271 2.021 0.266
67 HB2 SER 10 HB2 SER 10 6.867 0.846 1.753
68 HB3 SER 10 HB3 SER 10 7.596 2.255 0.980
69 HG SER 10 HG SER 10 6.475 2.994 3.293
70 H GLU 11 HN GLU 11 3.936 3.730 2.756
71 HA GLU 11 HA GLU 11 2.352 3.324 4.325
72 HB2 GLU 11 HB2 GLU 11 1.108 2.497 2.401
73 HB3 GLU 11 HB3 GLU 11 1.828 0.908 2.596
74 HG2 GLU 11 HG2 GLU 11 -0.365 0.811 3.479
75 HG3 GLU 11 HG3 GLU 11 0.749 0.786 4.846
76 H SEP 12 HN SER 12 2.720 -0.102 3.840
77 HA SEP 12 HA SER 12 4.531 -0.453 6.038
78 HB2 SEP 12 HB2 SER 12 2.325 0.002 7.154
79 HB3 SEP 12 HB3 SER 12 1.703 -1.461 6.391
80 H PHE 13 HN PHE 13 3.858 -1.295 3.136
81 HA PHE 13 HA PHE 13 4.985 -3.901 3.339
82 HB2 PHE 13 HB2 PHE 13 2.462 -4.207 3.835
83 HB3 PHE 13 HB3 PHE 13 2.240 -3.886 2.120
84 HD1 PHE 13 HD2 PHE 13 3.651 -6.214 4.578
85 HD2 PHE 13 HD1 PHE 13 2.837 -5.494 0.464
86 HE1 PHE 13 HE2 PHE 13 4.112 -8.579 4.076
87 HE2 PHE 13 HE1 PHE 13 3.295 -7.857 -0.045
88 HZ PHE 13 HZ PHE 13 3.934 -9.402 1.762
89 H GLU 14 HN GLU 14 6.052 -4.376 1.520
90 HA GLU 14 HA GLU 14 5.236 -3.319 -1.027
91 HB2 GLU 14 HB2 GLU 14 7.416 -2.241 -1.439
92 HB3 GLU 14 HB3 GLU 14 6.515 -1.453 -0.160
93 HG2 GLU 14 HG2 GLU 14 7.882 -2.577 1.508
94 HG3 GLU 14 HG3 GLU 14 8.770 -3.408 0.232
95 H SER 15 HN SER 15 5.704 -5.894 0.388
96 HA SER 15 HA SER 15 8.009 -7.050 -0.936
97 HB2 SER 15 HB2 SER 15 7.192 -7.658 1.406
98 HB3 SER 15 HB3 SER 15 5.896 -8.547 0.607
99 HG SER 15 HG SER 15 7.264 -10.062 0.106
100 H ILE 16 HN ILE 16 6.335 -9.626 -1.089
101 HA ILE 16 HA ILE 16 6.088 -9.926 -3.774
102 HB ILE 16 HB ILE 16 4.115 -11.130 -1.834
103 HG12 ILE 16 HG12 ILE 16 6.138 -12.982 -2.206
104 HG13 ILE 16 HG13 ILE 16 7.015 -11.464 -2.051
105 HG21 ILE 16 HG21 ILE 16 3.620 -11.511 -4.189
106 HG22 ILE 16 HG22 ILE 16 5.250 -12.132 -4.446
107 HG23 ILE 16 HG23 ILE 16 4.127 -13.010 -3.408
108 HD11 ILE 16 HD11 ILE 16 5.870 -11.041 0.076
109 HD12 ILE 16 HD12 ILE 16 5.044 -12.590 -0.078
110 HD13 ILE 16 HD13 ILE 16 6.797 -12.541 0.096
111 H ALA 17 HN ALA 17 3.355 -9.162 -1.631
112 HA ALA 17 HA ALA 17 1.375 -8.098 -1.984
113 HB1 ALA 17 HB1 ALA 17 1.397 -6.191 -3.579
114 HB2 ALA 17 HB2 ALA 17 2.723 -6.165 -2.416
115 HB3 ALA 17 HB3 ALA 17 3.016 -6.682 -4.076
116 H ASP 18 HN ASP 18 0.111 -9.812 -2.647
117 HA ASP 18 HA ASP 18 -0.966 -9.673 -5.263
118 HB2 ASP 18 HB2 ASP 18 -0.292 -11.793 -6.166
119 HB3 ASP 18 HB3 ASP 18 1.172 -10.928 -5.706
120 H ASN 19 HN ASN 19 -1.158 -10.296 -2.142
121 HA ASN 19 HA ASN 19 -3.800 -11.197 -2.147
122 HB2 ASN 19 HB2 ASN 19 -3.628 -13.426 -1.365
123 HB3 ASN 19 HB3 ASN 19 -2.606 -13.335 -2.788
124 HD21 ASN 19 HD21 ASN 19 -0.441 -11.966 -1.457
125 HD22 ASN 19 HD22 ASN 19 0.318 -13.119 -0.427
126 H ASN 20 HN ASN 20 -1.627 -9.438 -0.930
127 HA ASN 20 HA ASN 20 -2.598 -9.624 1.822
128 HB2 ASN 20 HB2 ASN 20 -0.521 -10.687 2.104
129 HB3 ASN 20 HB3 ASN 20 0.278 -9.639 0.935
130 HD21 ASN 20 HD21 ASN 20 0.662 -7.454 1.516
131 HD22 ASN 20 HD22 ASN 20 0.846 -7.008 3.174
132 H ASP 21 HN ASP 21 -0.637 -7.753 -0.466
133 HA ASP 21 HA ASP 21 -0.896 -5.262 0.789
134 HB2 ASP 21 HB2 ASP 21 -0.005 -4.324 -1.195
135 HB3 ASP 21 HB3 ASP 21 0.709 -5.930 -1.100
136 H ASP 22 HN ASP 22 -2.922 -7.081 -1.373
137 HA ASP 22 HA ASP 22 -4.737 -4.937 -1.940
138 HB2 ASP 22 HB2 ASP 22 -4.528 -6.685 -3.561
139 HB3 ASP 22 HB3 ASP 22 -4.811 -7.928 -2.350
140 H SER 23 HN SER 23 -4.024 -5.963 0.879
141 HA SER 23 HA SER 23 -6.787 -6.288 1.837
142 HB2 SER 23 HB2 SER 23 -5.267 -8.281 2.189
143 HB3 SER 23 HB3 SER 23 -4.309 -7.266 3.266
144 HG SER 23 HG SER 23 -5.794 -7.438 4.751
145 H TYR 24 HN TYR 24 -3.579 -4.880 2.543
146 HA TYR 24 HA TYR 24 -5.009 -2.736 3.954
147 HB2 TYR 24 HB2 TYR 24 -3.261 -2.713 5.727
148 HB3 TYR 24 HB3 TYR 24 -4.319 -4.114 5.767
149 HD1 TYR 24 HD2 TYR 24 -0.929 -2.929 4.924
150 HD2 TYR 24 HD1 TYR 24 -3.443 -6.314 5.482
151 HE1 TYR 24 HE2 TYR 24 1.049 -4.390 4.930
152 HE2 TYR 24 HE1 TYR 24 -1.474 -7.784 5.494
153 HH TYR 24 HH TYR 24 1.706 -6.593 5.746
154 H PHE 25 HN PHE 25 -3.239 -3.272 1.430
155 HA PHE 25 HA PHE 25 -1.640 -0.820 1.773
156 HB2 PHE 25 HB2 PHE 25 -0.197 -2.808 1.587
157 HB3 PHE 25 HB3 PHE 25 -0.951 -3.207 0.050
158 HD1 PHE 25 HD1 PHE 25 0.994 -0.557 1.761
159 HD2 PHE 25 HD2 PHE 25 -0.092 -2.363 -1.935
160 HE1 PHE 25 HE1 PHE 25 2.652 0.842 0.594
161 HE2 PHE 25 HE2 PHE 25 1.562 -0.971 -3.109
162 HZ PHE 25 HZ PHE 25 2.937 0.636 -1.844
163 H GLN 26 HN GLN 26 -3.923 -2.564 -0.134
164 HA GLN 26 HA GLN 26 -4.122 -0.271 -1.956
165 HB2 GLN 26 HB2 GLN 26 -2.990 -2.210 -3.059
166 HB3 GLN 26 HB3 GLN 26 -4.446 -3.158 -2.791
167 HG2 GLN 26 HG2 GLN 26 -4.435 -2.367 -5.045
168 HG3 GLN 26 HG3 GLN 26 -5.709 -1.534 -4.158
169 HE21 GLN 26 HE21 GLN 26 -5.466 0.656 -3.672
170 HE22 GLN 26 HE22 GLN 26 -4.312 1.651 -4.484
171 H ARG 27 HN ARG 27 -5.642 -2.510 0.118
172 HA ARG 27 HA ARG 27 -8.277 -2.329 -0.961
173 HB2 ARG 27 HB2 ARG 27 -7.338 -4.207 0.465
174 HB3 ARG 27 HB3 ARG 27 -7.500 -3.125 1.841
175 HG2 ARG 27 HG2 ARG 27 -9.892 -2.975 1.458
176 HG3 ARG 27 HG3 ARG 27 -9.739 -4.031 0.055
177 HD2 ARG 27 HD2 ARG 27 -8.895 -5.820 1.505
178 HD3 ARG 27 HD3 ARG 27 -9.072 -4.763 2.904
179 HE ARG 27 HE ARG 27 -11.530 -4.973 1.533
180 HH11 ARG 27 HH12 ARG 27 -9.398 -6.816 3.584
181 HH12 ARG 27 HH11 ARG 27 -10.670 -7.785 4.250
182 HH21 ARG 27 HH22 ARG 27 -13.206 -6.245 2.405
183 HH22 ARG 27 HH21 ARG 27 -12.833 -7.461 3.581
184 H LYS 28 HN LYS 28 -7.817 0.188 -0.997
185 HA LYS 28 HA LYS 28 -9.105 1.301 1.406
186 HB2 LYS 28 HB2 LYS 28 -6.892 2.516 -0.250
187 HB3 LYS 28 HB3 LYS 28 -7.862 3.442 0.889
188 HG2 LYS 28 HG2 LYS 28 -6.005 2.932 2.140
189 HG3 LYS 28 HG3 LYS 28 -7.114 1.635 2.595
190 HD2 LYS 28 HD2 LYS 28 -6.040 0.166 0.934
191 HD3 LYS 28 HD3 LYS 28 -4.903 1.461 0.548
192 HE2 LYS 28 HE2 LYS 28 -3.846 -0.063 2.073
193 HE3 LYS 28 HE3 LYS 28 -4.171 1.450 2.919
194 HZ1 LYS 28 HZ1 LYS 28 -6.140 0.432 3.895
195 HZ2 LYS 28 HZ2 LYS 28 -4.748 -0.447 4.283
196 HZ3 LYS 28 HZ3 LYS 28 -5.806 -1.023 3.097
197 HA PRO 29 HA PRO 29 -11.742 2.182 -2.305
198 HB2 PRO 29 HB2 PRO 29 -13.928 1.705 -0.405
199 HB3 PRO 29 HB3 PRO 29 -13.613 0.941 -1.964
200 HG2 PRO 29 HG2 PRO 29 -13.302 -0.386 0.356
201 HG3 PRO 29 HG3 PRO 29 -12.257 -0.683 -1.045
202 HD2 PRO 29 HD2 PRO 29 -11.714 0.952 1.409
203 HD3 PRO 29 HD3 PRO 29 -10.648 -0.186 0.555
204 H LYS 30 HN LYS 30 -11.193 3.561 0.719
205 HA LYS 30 HA LYS 30 -13.215 5.552 0.767
206 HB2 LYS 30 HB2 LYS 30 -10.476 5.556 2.048
207 HB3 LYS 30 HB3 LYS 30 -11.780 6.670 2.433
208 HG2 LYS 30 HG2 LYS 30 -11.852 3.685 2.832
209 HG3 LYS 30 HG3 LYS 30 -11.572 4.887 4.091
210 HD2 LYS 30 HD2 LYS 30 -14.067 4.704 2.401
211 HD3 LYS 30 HD3 LYS 30 -13.905 4.056 4.033
212 HE2 LYS 30 HE2 LYS 30 -13.460 6.301 4.887
213 HE3 LYS 30 HE3 LYS 30 -13.597 6.955 3.255
214 HZ1 LYS 30 HZ1 LYS 30 -15.895 6.273 3.188
215 HZ2 LYS 30 HZ2 LYS 30 -15.635 7.244 4.549
216 HZ3 LYS 30 HZ3 LYS 30 -15.775 5.567 4.720
217 H LEU 31 HN LEU 31 -13.047 7.786 0.294
218 HA LEU 31 HA LEU 31 -11.118 8.372 -1.845
219 HB2 LEU 31 HB2 LEU 31 -13.834 9.524 -1.231
220 HB3 LEU 31 HB3 LEU 31 -12.739 10.246 -2.393
221 HG LEU 31 HG LEU 31 -12.763 7.998 -3.597
222 HD11 LEU 31 HD11 LEU 31 -13.656 6.617 -1.836
223 HD12 LEU 31 HD12 LEU 31 -15.121 7.597 -1.766
224 HD13 LEU 31 HD13 LEU 31 -14.778 6.627 -3.198
225 HD21 LEU 31 HD21 LEU 31 -13.922 9.974 -4.428
226 HD22 LEU 31 HD22 LEU 31 -14.860 8.513 -4.739
227 HD23 LEU 31 HD23 LEU 31 -15.317 9.590 -3.419
228 H THR 32 HN THR 32 -9.655 9.937 -1.618
229 HA THR 32 HA THR 32 -8.303 11.445 -0.577
230 HB THR 32 HB THR 32 -9.351 13.530 0.143
231 HG1 THR 32 HG1 THR 32 -11.174 12.870 1.224
232 HG21 THR 32 HG21 THR 32 -9.100 13.134 -2.255
233 HG22 THR 32 HG22 THR 32 -10.554 14.075 -1.923
234 HG23 THR 32 HG23 THR 32 -10.682 12.357 -2.302
235 H GLU 33 HN GLU 33 -8.668 13.040 1.703
236 HA GLU 33 HA GLU 33 -8.275 11.025 3.758
237 HB2 GLU 33 HB2 GLU 33 -7.931 14.026 3.893
238 HB3 GLU 33 HB3 GLU 33 -7.426 12.873 5.122
239 HG2 GLU 33 HG2 GLU 33 -6.350 13.059 2.317
240 HG3 GLU 33 HG3 GLU 33 -5.542 13.609 3.785
241 H ALA 34 HN ALA 34 -10.057 10.296 4.717
242 HA ALA 34 HA ALA 34 -12.236 12.170 5.294
243 HB1 ALA 34 HB1 ALA 34 -13.637 10.203 5.634
244 HB2 ALA 34 HB2 ALA 34 -12.850 10.160 4.055
245 HB3 ALA 34 HB3 ALA 34 -12.244 9.155 5.371
246 HA PRO 35 HA PRO 35 -11.416 10.195 9.602
247 HB2 PRO 35 HB2 PRO 35 -9.201 8.712 9.992
248 HB3 PRO 35 HB3 PRO 35 -10.703 8.011 9.375
249 HG2 PRO 35 HG2 PRO 35 -8.250 8.850 7.879
250 HG3 PRO 35 HG3 PRO 35 -9.235 7.388 7.683
251 HD2 PRO 35 HD2 PRO 35 -9.454 9.566 6.061
252 HD3 PRO 35 HD3 PRO 35 -10.807 8.470 6.403
Start of MODEL 8
1 H1 GLU 1 H1 GLU 1 -0.819 -11.542 10.976
2 H2 GLU 1 H2 GLU 1 -1.475 -12.982 10.377
3 H3 GLU 1 H3 GLU 1 -0.587 -12.990 11.816
4 HA GLU 1 HA GLU 1 -3.172 -11.611 11.396
5 HB2 GLU 1 HB2 GLU 1 -4.096 -13.320 12.902
6 HB3 GLU 1 HB3 GLU 1 -3.437 -14.037 11.438
7 HG2 GLU 1 HG2 GLU 1 -1.407 -14.650 12.672
8 HG3 GLU 1 HG3 GLU 1 -2.109 -13.970 14.139
9 H HIS 2 HN HIS 2 -0.254 -11.789 13.111
10 HA HIS 2 HA HIS 2 -1.389 -10.529 15.501
11 HB2 HIS 2 HB2 HIS 2 1.393 -11.582 14.952
12 HB3 HIS 2 HB3 HIS 2 0.885 -10.837 16.463
13 HD1 HIS 2 HD1 HIS 2 1.056 -14.042 14.757
14 HD2 HIS 2 HD2 HIS 2 -1.203 -12.381 17.823
15 HE1 HIS 2 HE1 HIS 2 0.023 -15.993 15.962
16 HE2 HIS 2 HE2 HIS 2 -1.318 -14.965 17.833
17 H LYS 3 HN LYS 3 0.174 -8.787 16.454
18 HA LYS 3 HA LYS 3 0.936 -6.940 14.289
19 HB2 LYS 3 HB2 LYS 3 -0.406 -6.266 16.913
20 HB3 LYS 3 HB3 LYS 3 0.193 -5.083 15.761
21 HG2 LYS 3 HG2 LYS 3 -1.936 -7.123 15.155
22 HG3 LYS 3 HG3 LYS 3 -2.250 -5.454 15.635
23 HD2 LYS 3 HD2 LYS 3 -0.670 -6.286 13.199
24 HD3 LYS 3 HD3 LYS 3 -2.368 -5.804 13.185
25 HE2 LYS 3 HE2 LYS 3 -0.029 -4.094 14.026
26 HE3 LYS 3 HE3 LYS 3 -0.943 -3.946 12.526
27 HZ1 LYS 3 HZ1 LYS 3 -1.662 -2.319 14.151
28 HZ2 LYS 3 HZ2 LYS 3 -2.027 -3.541 15.262
29 HZ3 LYS 3 HZ3 LYS 3 -2.913 -3.412 13.826
30 H HIS 4 HN HIS 4 2.064 -8.754 16.784
31 HA HIS 4 HA HIS 4 4.021 -6.830 17.755
32 HB2 HIS 4 HB2 HIS 4 2.951 -8.383 19.352
33 HB3 HIS 4 HB3 HIS 4 3.637 -9.745 18.473
34 HD1 HIS 4 HD1 HIS 4 6.045 -10.362 18.967
35 HD2 HIS 4 HD2 HIS 4 4.853 -6.834 20.811
36 HE1 HIS 4 HE1 HIS 4 7.893 -9.785 20.572
37 HE2 HIS 4 HE2 HIS 4 7.112 -7.690 21.733
38 H SER 5 HN SER 5 3.831 -9.687 15.726
39 HA SER 5 HA SER 5 6.718 -9.522 15.210
40 HB2 SER 5 HB2 SER 5 4.742 -11.716 14.537
41 HB3 SER 5 HB3 SER 5 6.471 -11.761 14.189
42 HG SER 5 HG SER 5 6.908 -11.974 16.298
43 H ASP 6 HN ASP 6 4.134 -8.075 14.063
44 HA ASP 6 HA ASP 6 5.119 -8.118 11.293
45 HB2 ASP 6 HB2 ASP 6 3.030 -9.405 11.389
46 HB3 ASP 6 HB3 ASP 6 2.214 -8.036 12.136
47 H GLU 7 HN GLU 7 6.135 -6.204 11.199
48 HA GLU 7 HA GLU 7 4.679 -3.812 11.024
49 HB2 GLU 7 HB2 GLU 7 5.664 -2.610 12.991
50 HB3 GLU 7 HB3 GLU 7 4.472 -3.830 13.416
51 HG2 GLU 7 HG2 GLU 7 6.354 -5.394 13.898
52 HG3 GLU 7 HG3 GLU 7 7.463 -4.048 13.644
53 H SER 8 HN SER 8 5.801 -2.875 9.439
54 HA SER 8 HA SER 8 7.535 -2.133 8.168
55 HB2 SER 8 HB2 SER 8 8.259 -1.002 10.271
56 HB3 SER 8 HB3 SER 8 9.178 -2.443 10.701
57 HG SER 8 HG SER 8 10.514 -0.915 9.696
58 H THR 9 HN THR 9 6.952 -5.036 9.023
59 HA THR 9 HA THR 9 9.146 -6.665 8.939
60 HB THR 9 HB THR 9 6.972 -7.618 9.296
61 HG1 THR 9 HG1 THR 9 7.236 -8.971 7.002
62 HG21 THR 9 HG21 THR 9 5.648 -6.121 7.897
63 HG22 THR 9 HG22 THR 9 5.310 -7.804 7.492
64 HG23 THR 9 HG23 THR 9 6.350 -6.836 6.445
65 H SER 10 HN SER 10 7.617 -4.880 6.391
66 HA SER 10 HA SER 10 9.868 -5.158 4.645
67 HB2 SER 10 HB2 SER 10 8.455 -7.273 4.259
68 HB3 SER 10 HB3 SER 10 7.244 -6.191 3.564
69 HG SER 10 HG SER 10 9.942 -6.321 2.696
70 H GLU 11 HN GLU 11 7.338 -3.533 5.920
71 HA GLU 11 HA GLU 11 6.423 -1.490 5.545
72 HB2 GLU 11 HB2 GLU 11 8.309 -1.281 3.190
73 HB3 GLU 11 HB3 GLU 11 7.458 0.041 3.974
74 HG2 GLU 11 HG2 GLU 11 8.731 -0.351 6.021
75 HG3 GLU 11 HG3 GLU 11 9.592 -1.670 5.228
76 H SEP 12 HN SER 12 4.618 -0.780 4.493
77 HA SEP 12 HA SER 12 3.343 -2.573 2.719
78 HB2 SEP 12 HB2 SER 12 2.655 0.265 3.505
79 HB3 SEP 12 HB3 SER 12 1.596 -0.790 2.567
80 H PHE 13 HN PHE 13 4.895 -2.762 1.010
81 HA PHE 13 HA PHE 13 4.297 -1.190 -1.240
82 HB2 PHE 13 HB2 PHE 13 5.687 0.471 -0.030
83 HB3 PHE 13 HB3 PHE 13 7.029 -0.667 -0.083
84 HD1 PHE 13 HD1 PHE 13 4.845 1.492 -2.115
85 HD2 PHE 13 HD2 PHE 13 8.333 -0.944 -2.045
86 HE1 PHE 13 HE1 PHE 13 5.508 2.387 -4.309
87 HE2 PHE 13 HE2 PHE 13 9.004 -0.054 -4.238
88 HZ PHE 13 HZ PHE 13 7.593 1.627 -5.367
89 H GLU 14 HN GLU 14 7.462 -2.285 -0.437
90 HA GLU 14 HA GLU 14 7.622 -3.997 -2.708
91 HB2 GLU 14 HB2 GLU 14 9.521 -2.676 -1.641
92 HB3 GLU 14 HB3 GLU 14 9.556 -3.921 -0.400
93 HG2 GLU 14 HG2 GLU 14 10.039 -5.605 -2.090
94 HG3 GLU 14 HG3 GLU 14 9.981 -4.369 -3.346
95 H SER 15 HN SER 15 5.886 -4.506 -0.092
96 HA SER 15 HA SER 15 6.714 -6.943 1.003
97 HB2 SER 15 HB2 SER 15 4.946 -5.477 1.961
98 HB3 SER 15 HB3 SER 15 3.866 -5.977 0.660
99 HG SER 15 HG SER 15 3.470 -7.270 2.434
100 H ILE 16 HN ILE 16 4.976 -8.880 0.808
101 HA ILE 16 HA ILE 16 5.584 -10.265 -1.508
102 HB ILE 16 HB ILE 16 3.159 -10.663 0.254
103 HG12 ILE 16 HG12 ILE 16 5.832 -12.069 0.382
104 HG13 ILE 16 HG13 ILE 16 5.412 -10.698 1.402
105 HG21 ILE 16 HG21 ILE 16 4.522 -12.564 -1.649
106 HG22 ILE 16 HG22 ILE 16 3.194 -12.971 -0.564
107 HG23 ILE 16 HG23 ILE 16 2.939 -11.821 -1.875
108 HD11 ILE 16 HD11 ILE 16 5.100 -12.761 2.603
109 HD12 ILE 16 HD12 ILE 16 3.539 -11.990 2.327
110 HD13 ILE 16 HD13 ILE 16 4.028 -13.368 1.341
111 H ALA 17 HN ALA 17 2.450 -8.763 -0.700
112 HA ALA 17 HA ALA 17 0.737 -8.011 -1.987
113 HB1 ALA 17 HB1 ALA 17 2.431 -6.432 -2.746
114 HB2 ALA 17 HB2 ALA 17 2.923 -7.557 -4.012
115 HB3 ALA 17 HB3 ALA 17 1.311 -6.840 -4.045
116 H ASP 18 HN ASP 18 0.041 -8.164 -4.587
117 HA ASP 18 HA ASP 18 -0.838 -9.503 -6.191
118 HB2 ASP 18 HB2 ASP 18 1.299 -11.481 -5.373
119 HB3 ASP 18 HB3 ASP 18 0.346 -11.541 -6.853
120 H ASN 19 HN ASN 19 -1.011 -10.050 -3.040
121 HA ASN 19 HA ASN 19 -3.396 -11.501 -3.109
122 HB2 ASN 19 HB2 ASN 19 -2.692 -13.594 -2.102
123 HB3 ASN 19 HB3 ASN 19 -1.867 -13.370 -3.637
124 HD21 ASN 19 HD21 ASN 19 0.331 -12.982 -3.665
125 HD22 ASN 19 HD22 ASN 19 1.336 -13.241 -2.283
126 H ASN 20 HN ASN 20 -1.086 -9.639 -1.701
127 HA ASN 20 HA ASN 20 -2.346 -9.828 0.960
128 HB2 ASN 20 HB2 ASN 20 0.185 -10.480 0.628
129 HB3 ASN 20 HB3 ASN 20 0.426 -8.739 0.597
130 HD21 ASN 20 HD21 ASN 20 -1.677 -8.137 2.443
131 HD22 ASN 20 HD22 ASN 20 -1.140 -8.642 4.006
132 H ASP 21 HN ASP 21 -0.622 -7.657 -1.260
133 HA ASP 21 HA ASP 21 -1.171 -5.240 -0.004
134 HB2 ASP 21 HB2 ASP 21 -0.601 -4.184 -2.085
135 HB3 ASP 21 HB3 ASP 21 0.420 -5.607 -1.907
136 H ASP 22 HN ASP 22 -3.298 -7.331 -1.672
137 HA ASP 22 HA ASP 22 -5.169 -5.604 -2.767
138 HB2 ASP 22 HB2 ASP 22 -5.020 -8.160 -2.885
139 HB3 ASP 22 HB3 ASP 22 -5.921 -8.162 -1.371
140 H SER 23 HN SER 23 -4.654 -6.488 0.579
141 HA SER 23 HA SER 23 -6.669 -4.533 1.373
142 HB2 SER 23 HB2 SER 23 -6.519 -7.410 2.220
143 HB3 SER 23 HB3 SER 23 -7.226 -6.194 3.276
144 HG SER 23 HG SER 23 -8.033 -6.706 0.607
145 H TYR 24 HN TYR 24 -3.556 -5.381 1.468
146 HA TYR 24 HA TYR 24 -3.132 -4.551 4.252
147 HB2 TYR 24 HB2 TYR 24 -2.048 -6.594 3.960
148 HB3 TYR 24 HB3 TYR 24 -1.554 -6.206 2.318
149 HD1 TYR 24 HD1 TYR 24 -1.053 -4.704 5.691
150 HD2 TYR 24 HD2 TYR 24 0.731 -6.021 2.064
151 HE1 TYR 24 HE1 TYR 24 1.143 -4.026 6.537
152 HE2 TYR 24 HE2 TYR 24 2.944 -5.350 2.905
153 HH TYR 24 HH TYR 24 3.508 -4.552 6.161
154 H PHE 25 HN PHE 25 -2.267 -3.876 0.912
155 HA PHE 25 HA PHE 25 -0.915 -1.414 1.788
156 HB2 PHE 25 HB2 PHE 25 0.574 -2.754 0.475
157 HB3 PHE 25 HB3 PHE 25 -0.660 -3.036 -0.747
158 HD1 PHE 25 HD2 PHE 25 1.274 -0.279 0.834
159 HD2 PHE 25 HD1 PHE 25 -0.702 -1.725 -2.645
160 HE1 PHE 25 HE2 PHE 25 2.084 1.670 -0.430
161 HE2 PHE 25 HE1 PHE 25 0.102 0.224 -3.916
162 HZ PHE 25 HZ PHE 25 1.497 1.924 -2.808
163 H GLN 26 HN GLN 26 -3.599 -2.707 0.069
164 HA GLN 26 HA GLN 26 -4.299 -0.026 -0.925
165 HB2 GLN 26 HB2 GLN 26 -4.075 -1.754 -2.672
166 HB3 GLN 26 HB3 GLN 26 -5.309 -2.714 -1.871
167 HG2 GLN 26 HG2 GLN 26 -6.951 -0.969 -2.264
168 HG3 GLN 26 HG3 GLN 26 -5.718 0.034 -3.025
169 HE21 GLN 26 HE21 GLN 26 -8.219 -0.974 -4.113
170 HE22 GLN 26 HE22 GLN 26 -7.802 -1.897 -5.512
171 H ARG 27 HN ARG 27 -6.143 -2.966 -0.078
172 HA ARG 27 HA ARG 27 -8.157 -3.204 0.973
173 HB2 ARG 27 HB2 ARG 27 -6.279 -2.491 2.768
174 HB3 ARG 27 HB3 ARG 27 -7.419 -1.174 3.007
175 HG2 ARG 27 HG2 ARG 27 -8.149 -4.092 3.151
176 HG3 ARG 27 HG3 ARG 27 -7.739 -3.095 4.547
177 HD2 ARG 27 HD2 ARG 27 -10.010 -2.571 2.632
178 HD3 ARG 27 HD3 ARG 27 -10.170 -3.313 4.223
179 HE ARG 27 HE ARG 27 -8.880 -0.851 4.527
180 HH11 ARG 27 HH12 ARG 27 -11.995 -2.111 3.600
181 HH12 ARG 27 HH11 ARG 27 -12.866 -0.723 4.157
182 HH21 ARG 27 HH22 ARG 27 -10.018 0.986 5.257
183 HH22 ARG 27 HH21 ARG 27 -11.742 1.040 5.095
184 H LYS 28 HN LYS 28 -8.623 -1.644 -1.095
185 HA LYS 28 HA LYS 28 -9.913 -0.004 -1.992
186 HB2 LYS 28 HB2 LYS 28 -11.379 -0.706 0.532
187 HB3 LYS 28 HB3 LYS 28 -12.018 0.482 -0.601
188 HG2 LYS 28 HG2 LYS 28 -11.216 -2.267 -1.471
189 HG3 LYS 28 HG3 LYS 28 -12.830 -1.913 -0.846
190 HD2 LYS 28 HD2 LYS 28 -13.100 -0.202 -2.596
191 HD3 LYS 28 HD3 LYS 28 -11.503 -0.612 -3.224
192 HE2 LYS 28 HE2 LYS 28 -13.288 -1.688 -4.514
193 HE3 LYS 28 HE3 LYS 28 -12.250 -2.871 -3.718
194 HZ1 LYS 28 HZ1 LYS 28 -13.921 -3.086 -1.971
195 HZ2 LYS 28 HZ2 LYS 28 -14.564 -3.474 -3.487
196 HZ3 LYS 28 HZ3 LYS 28 -14.923 -1.982 -2.774
197 HA PRO 29 HA PRO 29 -7.937 3.475 0.278
198 HB2 PRO 29 HB2 PRO 29 -7.566 4.575 -2.410
199 HB3 PRO 29 HB3 PRO 29 -6.356 4.190 -1.184
200 HG2 PRO 29 HG2 PRO 29 -6.606 2.752 -3.450
201 HG3 PRO 29 HG3 PRO 29 -6.113 2.017 -1.913
202 HD2 PRO 29 HD2 PRO 29 -8.804 2.014 -3.238
203 HD3 PRO 29 HD3 PRO 29 -7.946 0.685 -2.430
204 H LYS 30 HN LYS 30 -8.139 5.983 -0.584
205 HA LYS 30 HA LYS 30 -9.495 7.798 -0.725
206 HB2 LYS 30 HB2 LYS 30 -11.421 5.977 -2.173
207 HB3 LYS 30 HB3 LYS 30 -11.378 7.734 -2.235
208 HG2 LYS 30 HG2 LYS 30 -9.188 5.920 -3.231
209 HG3 LYS 30 HG3 LYS 30 -10.430 6.664 -4.241
210 HD2 LYS 30 HD2 LYS 30 -9.641 8.889 -3.540
211 HD3 LYS 30 HD3 LYS 30 -8.374 8.123 -2.578
212 HE2 LYS 30 HE2 LYS 30 -8.713 7.948 -5.569
213 HE3 LYS 30 HE3 LYS 30 -7.482 8.870 -4.705
214 HZ1 LYS 30 HZ1 LYS 30 -6.588 6.806 -3.838
215 HZ2 LYS 30 HZ2 LYS 30 -6.615 6.768 -5.528
216 HZ3 LYS 30 HZ3 LYS 30 -7.778 5.915 -4.646
217 H LEU 31 HN LEU 31 -11.892 8.524 -0.263
218 HA LEU 31 HA LEU 31 -12.659 7.176 2.230
219 HB2 LEU 31 HB2 LEU 31 -13.124 9.985 1.240
220 HB3 LEU 31 HB3 LEU 31 -13.907 9.336 2.668
221 HG LEU 31 HG LEU 31 -11.537 8.872 3.541
222 HD11 LEU 31 HD11 LEU 31 -9.761 10.213 2.641
223 HD12 LEU 31 HD12 LEU 31 -10.428 9.214 1.352
224 HD13 LEU 31 HD13 LEU 31 -10.848 10.925 1.448
225 HD21 LEU 31 HD21 LEU 31 -11.333 11.145 4.397
226 HD22 LEU 31 HD22 LEU 31 -12.465 11.717 3.172
227 HD23 LEU 31 HD23 LEU 31 -13.011 10.605 4.429
228 H THR 32 HN THR 32 -14.376 9.101 -0.232
229 HA THR 32 HA THR 32 -16.346 6.951 -0.480
230 HB THR 32 HB THR 32 -17.125 9.826 0.050
231 HG1 THR 32 HG1 THR 32 -16.744 7.641 1.702
232 HG21 THR 32 HG21 THR 32 -18.804 7.342 -0.320
233 HG22 THR 32 HG22 THR 32 -18.680 8.691 -1.447
234 HG23 THR 32 HG23 THR 32 -19.415 8.931 0.137
235 H GLU 33 HN GLU 33 -15.982 10.332 -1.578
236 HA GLU 33 HA GLU 33 -15.476 9.524 -4.284
237 HB2 GLU 33 HB2 GLU 33 -17.914 9.190 -4.151
238 HB3 GLU 33 HB3 GLU 33 -18.111 10.861 -3.643
239 HG2 GLU 33 HG2 GLU 33 -18.647 10.636 -5.979
240 HG3 GLU 33 HG3 GLU 33 -17.187 11.607 -5.789
241 H ALA 34 HN ALA 34 -13.887 10.897 -4.730
242 HA ALA 34 HA ALA 34 -14.220 13.724 -3.968
243 HB1 ALA 34 HB1 ALA 34 -11.780 11.995 -4.184
244 HB2 ALA 34 HB2 ALA 34 -11.665 13.754 -4.267
245 HB3 ALA 34 HB3 ALA 34 -12.329 12.980 -2.829
246 HA PRO 35 HA PRO 35 -14.258 14.788 -8.259
247 HB2 PRO 35 HB2 PRO 35 -13.219 17.291 -8.190
248 HB3 PRO 35 HB3 PRO 35 -14.845 16.914 -7.609
249 HG2 PRO 35 HG2 PRO 35 -12.314 17.275 -6.051
250 HG3 PRO 35 HG3 PRO 35 -13.943 17.879 -5.695
251 HD2 PRO 35 HD2 PRO 35 -12.904 15.684 -4.495
252 HD3 PRO 35 HD3 PRO 35 -14.638 15.862 -4.827
Start of MODEL 9
1 H1 GLU 1 H1 GLU 1 7.637 14.328 10.834
2 H2 GLU 1 H2 GLU 1 8.118 12.723 11.077
3 H3 GLU 1 H3 GLU 1 7.705 13.692 12.400
4 HA GLU 1 HA GLU 1 5.433 13.820 11.673
5 HB2 GLU 1 HB2 GLU 1 5.901 13.676 9.258
6 HB3 GLU 1 HB3 GLU 1 6.342 11.985 9.446
7 HG2 GLU 1 HG2 GLU 1 4.070 11.464 10.153
8 HG3 GLU 1 HG3 GLU 1 3.625 13.160 9.986
9 H HIS 2 HN HIS 2 4.537 12.753 13.287
10 HA HIS 2 HA HIS 2 5.337 9.960 13.760
11 HB2 HIS 2 HB2 HIS 2 4.166 12.015 15.643
12 HB3 HIS 2 HB3 HIS 2 4.438 10.329 16.068
13 HD1 HIS 2 HD1 HIS 2 6.075 13.580 15.987
14 HD2 HIS 2 HD2 HIS 2 7.270 9.599 16.011
15 HE1 HIS 2 HE1 HIS 2 8.499 13.609 16.659
16 HE2 HIS 2 HE2 HIS 2 9.218 11.196 16.600
17 H LYS 3 HN LYS 3 2.664 12.071 13.090
18 HA LYS 3 HA LYS 3 0.529 10.437 13.861
19 HB2 LYS 3 HB2 LYS 3 0.428 12.859 13.153
20 HB3 LYS 3 HB3 LYS 3 0.549 12.305 11.491
21 HG2 LYS 3 HG2 LYS 3 -1.529 11.096 11.699
22 HG3 LYS 3 HG3 LYS 3 -1.635 11.522 13.409
23 HD2 LYS 3 HD2 LYS 3 -1.685 13.917 12.749
24 HD3 LYS 3 HD3 LYS 3 -1.737 13.409 11.061
25 HE2 LYS 3 HE2 LYS 3 -3.829 12.212 11.485
26 HE3 LYS 3 HE3 LYS 3 -3.776 12.714 13.175
27 HZ1 LYS 3 HZ1 LYS 3 -3.918 15.022 12.441
28 HZ2 LYS 3 HZ2 LYS 3 -5.246 14.128 11.899
29 HZ3 LYS 3 HZ3 LYS 3 -4.000 14.522 10.826
30 H HIS 4 HN HIS 4 -0.656 8.875 12.823
31 HA HIS 4 HA HIS 4 0.743 7.387 10.778
32 HB2 HIS 4 HB2 HIS 4 -1.192 5.781 11.080
33 HB3 HIS 4 HB3 HIS 4 -0.207 6.071 12.508
34 HD1 HIS 4 HD1 HIS 4 -3.624 6.645 11.112
35 HD2 HIS 4 HD2 HIS 4 -1.502 7.412 14.602
36 HE1 HIS 4 HE1 HIS 4 -5.343 7.358 12.802
37 HE2 HIS 4 HE2 HIS 4 -4.047 7.715 14.934
38 H SER 5 HN SER 5 -1.043 10.026 10.515
39 HA SER 5 HA SER 5 -2.815 9.167 8.382
40 HB2 SER 5 HB2 SER 5 -3.612 10.880 9.939
41 HB3 SER 5 HB3 SER 5 -2.266 11.930 9.498
42 HG SER 5 HG SER 5 -4.044 10.964 7.538
43 H ASP 6 HN ASP 6 -1.070 8.376 7.019
44 HA ASP 6 HA ASP 6 0.513 10.483 5.730
45 HB2 ASP 6 HB2 ASP 6 1.757 8.537 6.573
46 HB3 ASP 6 HB3 ASP 6 0.789 7.475 5.557
47 H GLU 7 HN GLU 7 -0.920 7.438 4.542
48 HA GLU 7 HA GLU 7 -2.676 8.715 2.708
49 HB2 GLU 7 HB2 GLU 7 -0.400 9.131 1.663
50 HB3 GLU 7 HB3 GLU 7 -0.279 7.394 1.433
51 HG2 GLU 7 HG2 GLU 7 -2.522 9.057 0.319
52 HG3 GLU 7 HG3 GLU 7 -1.037 8.705 -0.562
53 H SER 8 HN SER 8 -0.661 5.823 2.268
54 HA SER 8 HA SER 8 -3.041 4.199 1.962
55 HB2 SER 8 HB2 SER 8 -1.457 2.396 1.385
56 HB3 SER 8 HB3 SER 8 -1.145 3.854 0.441
57 HG SER 8 HG SER 8 0.665 4.221 1.570
58 H THR 9 HN THR 9 -1.489 5.336 4.550
59 HA THR 9 HA THR 9 -1.233 4.743 6.725
60 HB THR 9 HB THR 9 -3.023 3.595 7.749
61 HG1 THR 9 HG1 THR 9 -4.520 2.509 5.987
62 HG21 THR 9 HG21 THR 9 -4.058 4.922 5.246
63 HG22 THR 9 HG22 THR 9 -3.694 5.715 6.778
64 HG23 THR 9 HG23 THR 9 -5.024 4.562 6.677
65 H SER 10 HN SER 10 0.126 3.091 4.563
66 HA SER 10 HA SER 10 1.429 1.273 6.308
67 HB2 SER 10 HB2 SER 10 -0.718 0.032 5.780
68 HB3 SER 10 HB3 SER 10 -0.165 -0.042 4.106
69 HG SER 10 HG SER 10 1.486 -1.339 4.690
70 H GLU 11 HN GLU 11 1.648 3.369 4.045
71 HA GLU 11 HA GLU 11 2.914 2.305 1.822
72 HB2 GLU 11 HB2 GLU 11 2.285 4.775 2.472
73 HB3 GLU 11 HB3 GLU 11 3.946 4.806 3.053
74 HG2 GLU 11 HG2 GLU 11 4.706 4.123 0.804
75 HG3 GLU 11 HG3 GLU 11 3.038 4.235 0.245
76 H SEP 12 HN SER 12 4.034 2.738 5.040
77 HA SEP 12 HA SER 12 6.824 2.487 4.526
78 HB2 SEP 12 HB2 SER 12 5.876 3.503 6.600
79 HB3 SEP 12 HB3 SER 12 5.325 1.902 7.091
80 H PHE 13 HN PHE 13 4.636 0.413 3.683
81 HA PHE 13 HA PHE 13 6.268 -1.931 4.407
82 HB2 PHE 13 HB2 PHE 13 3.783 -1.551 5.438
83 HB3 PHE 13 HB3 PHE 13 3.387 -2.416 3.955
84 HD1 PHE 13 HD1 PHE 13 4.078 -4.711 3.629
85 HD2 PHE 13 HD2 PHE 13 5.016 -2.620 7.215
86 HE1 PHE 13 HE1 PHE 13 4.638 -6.843 4.721
87 HE2 PHE 13 HE2 PHE 13 5.581 -4.749 8.312
88 HZ PHE 13 HZ PHE 13 5.391 -6.863 7.067
89 H GLU 14 HN GLU 14 5.809 -3.799 2.878
90 HA GLU 14 HA GLU 14 4.680 -3.308 0.343
91 HB2 GLU 14 HB2 GLU 14 6.723 -1.865 0.223
92 HB3 GLU 14 HB3 GLU 14 7.698 -3.317 0.410
93 HG2 GLU 14 HG2 GLU 14 6.721 -4.219 -1.642
94 HG3 GLU 14 HG3 GLU 14 5.788 -2.734 -1.832
95 H SER 15 HN SER 15 3.791 -5.326 1.080
96 HA SER 15 HA SER 15 5.493 -7.629 1.341
97 HB2 SER 15 HB2 SER 15 2.483 -7.546 1.047
98 HB3 SER 15 HB3 SER 15 3.448 -8.871 1.696
99 HG SER 15 HG SER 15 3.943 -6.538 2.985
100 H ILE 16 HN ILE 16 4.196 -9.628 0.022
101 HA ILE 16 HA ILE 16 5.281 -9.501 -2.560
102 HB ILE 16 HB ILE 16 3.253 -11.382 -1.352
103 HG12 ILE 16 HG12 ILE 16 5.271 -12.958 -1.587
104 HG13 ILE 16 HG13 ILE 16 6.222 -11.505 -1.865
105 HG21 ILE 16 HG21 ILE 16 4.599 -11.568 -4.045
106 HG22 ILE 16 HG22 ILE 16 3.681 -12.865 -3.281
107 HG23 ILE 16 HG23 ILE 16 2.874 -11.366 -3.740
108 HD11 ILE 16 HD11 ILE 16 4.528 -11.893 0.582
109 HD12 ILE 16 HD12 ILE 16 6.212 -12.409 0.480
110 HD13 ILE 16 HD13 ILE 16 5.802 -10.703 0.311
111 H ALA 17 HN ALA 17 2.210 -8.527 -1.312
112 HA ALA 17 HA ALA 17 0.452 -7.420 -2.229
113 HB1 ALA 17 HB1 ALA 17 2.200 -6.086 -3.353
114 HB2 ALA 17 HB2 ALA 17 2.138 -7.200 -4.718
115 HB3 ALA 17 HB3 ALA 17 0.723 -6.231 -4.305
116 H ASP 18 HN ASP 18 -1.249 -7.581 -3.895
117 HA ASP 18 HA ASP 18 -2.720 -8.741 -5.167
118 HB2 ASP 18 HB2 ASP 18 -0.321 -10.441 -5.875
119 HB3 ASP 18 HB3 ASP 18 -1.894 -10.546 -6.659
120 H ASN 19 HN ASN 19 -1.491 -9.727 -2.415
121 HA ASN 19 HA ASN 19 -3.523 -11.644 -1.928
122 HB2 ASN 19 HB2 ASN 19 -2.117 -13.570 -1.461
123 HB3 ASN 19 HB3 ASN 19 -1.920 -13.074 -3.137
124 HD21 ASN 19 HD21 ASN 19 0.019 -12.226 -3.814
125 HD22 ASN 19 HD22 ASN 19 1.458 -12.312 -2.861
126 H ASN 20 HN ASN 20 -1.755 -9.204 -0.936
127 HA ASN 20 HA ASN 20 -2.222 -9.750 1.854
128 HB2 ASN 20 HB2 ASN 20 -0.022 -10.754 1.604
129 HB3 ASN 20 HB3 ASN 20 0.584 -9.291 0.831
130 HD21 ASN 20 HD21 ASN 20 0.479 -7.312 2.127
131 HD22 ASN 20 HD22 ASN 20 0.773 -7.425 3.821
132 H ASP 21 HN ASP 21 -0.948 -7.601 -0.619
133 HA ASP 21 HA ASP 21 -0.955 -5.251 0.939
134 HB2 ASP 21 HB2 ASP 21 -1.025 -5.698 -2.048
135 HB3 ASP 21 HB3 ASP 21 -0.914 -4.101 -1.314
136 H ASP 22 HN ASP 22 -3.308 -6.796 -1.185
137 HA ASP 22 HA ASP 22 -5.249 -4.789 -1.192
138 HB2 ASP 22 HB2 ASP 22 -6.729 -6.436 -2.017
139 HB3 ASP 22 HB3 ASP 22 -5.134 -6.963 -2.553
140 H SER 23 HN SER 23 -3.997 -6.475 1.378
141 HA SER 23 HA SER 23 -6.427 -6.556 2.958
142 HB2 SER 23 HB2 SER 23 -3.577 -7.252 3.694
143 HB3 SER 23 HB3 SER 23 -4.987 -7.526 4.707
144 HG SER 23 HG SER 23 -4.531 -9.416 3.611
145 H TYR 24 HN TYR 24 -3.304 -4.797 2.920
146 HA TYR 24 HA TYR 24 -4.668 -2.661 4.370
147 HB2 TYR 24 HB2 TYR 24 -2.746 -2.426 5.958
148 HB3 TYR 24 HB3 TYR 24 -3.772 -3.826 6.215
149 HD1 TYR 24 HD2 TYR 24 -0.507 -2.727 4.851
150 HD2 TYR 24 HD1 TYR 24 -2.871 -6.006 6.173
151 HE1 TYR 24 HE2 TYR 24 1.486 -4.167 4.822
152 HE2 TYR 24 HE1 TYR 24 -0.883 -7.454 6.152
153 HH TYR 24 HH TYR 24 1.307 -7.562 5.112
154 H PHE 25 HN PHE 25 -2.160 -3.621 2.193
155 HA PHE 25 HA PHE 25 -1.056 -0.913 2.130
156 HB2 PHE 25 HB2 PHE 25 0.507 -2.819 2.033
157 HB3 PHE 25 HB3 PHE 25 -0.244 -3.352 0.536
158 HD1 PHE 25 HD1 PHE 25 1.757 -0.679 2.092
159 HD2 PHE 25 HD2 PHE 25 0.305 -2.354 -1.541
160 HE1 PHE 25 HE1 PHE 25 3.284 0.769 0.819
161 HE2 PHE 25 HE2 PHE 25 1.830 -0.909 -2.821
162 HZ PHE 25 HZ PHE 25 3.323 0.655 -1.641
163 H GLN 26 HN GLN 26 -1.971 -3.200 -0.441
164 HA GLN 26 HA GLN 26 -2.475 -1.210 -2.352
165 HB2 GLN 26 HB2 GLN 26 -1.999 -3.553 -2.927
166 HB3 GLN 26 HB3 GLN 26 -3.537 -4.037 -2.228
167 HG2 GLN 26 HG2 GLN 26 -4.747 -2.841 -3.905
168 HG3 GLN 26 HG3 GLN 26 -3.258 -2.151 -4.548
169 HE21 GLN 26 HE21 GLN 26 -5.241 -4.992 -4.316
170 HE22 GLN 26 HE22 GLN 26 -4.441 -5.899 -5.550
171 H ARG 27 HN ARG 27 -4.745 -3.162 -0.418
172 HA ARG 27 HA ARG 27 -6.912 -2.842 0.181
173 HB2 ARG 27 HB2 ARG 27 -5.999 0.023 -0.032
174 HB3 ARG 27 HB3 ARG 27 -7.602 -0.421 0.536
175 HG2 ARG 27 HG2 ARG 27 -5.013 -1.304 1.795
176 HG3 ARG 27 HG3 ARG 27 -6.031 0.018 2.370
177 HD2 ARG 27 HD2 ARG 27 -6.695 -2.917 2.265
178 HD3 ARG 27 HD3 ARG 27 -6.538 -1.895 3.693
179 HE ARG 27 HE ARG 27 -8.546 -0.706 2.360
180 HH11 ARG 27 HH12 ARG 27 -7.961 -4.028 3.228
181 HH12 ARG 27 HH11 ARG 27 -9.641 -4.427 3.353
182 HH21 ARG 27 HH22 ARG 27 -10.765 -1.225 2.521
183 HH22 ARG 27 HH21 ARG 27 -11.234 -2.835 2.949
184 H LYS 28 HN LYS 28 -7.253 -3.793 -2.052
185 HA LYS 28 HA LYS 28 -8.996 -1.980 -3.569
186 HB2 LYS 28 HB2 LYS 28 -6.650 -3.448 -4.516
187 HB3 LYS 28 HB3 LYS 28 -8.091 -3.760 -5.474
188 HG2 LYS 28 HG2 LYS 28 -7.022 -1.962 -6.521
189 HG3 LYS 28 HG3 LYS 28 -8.356 -1.243 -5.618
190 HD2 LYS 28 HD2 LYS 28 -6.812 -0.644 -3.818
191 HD3 LYS 28 HD3 LYS 28 -5.482 -1.367 -4.718
192 HE2 LYS 28 HE2 LYS 28 -5.819 0.248 -6.521
193 HE3 LYS 28 HE3 LYS 28 -7.163 0.963 -5.632
194 HZ1 LYS 28 HZ1 LYS 28 -4.339 0.879 -4.716
195 HZ2 LYS 28 HZ2 LYS 28 -5.627 1.572 -3.868
196 HZ3 LYS 28 HZ3 LYS 28 -5.130 2.236 -5.342
197 HA PRO 29 HA PRO 29 -11.254 -5.809 -2.144
198 HB2 PRO 29 HB2 PRO 29 -13.441 -3.810 -2.051
199 HB3 PRO 29 HB3 PRO 29 -12.962 -5.011 -0.849
200 HG2 PRO 29 HG2 PRO 29 -12.442 -2.426 -0.469
201 HG3 PRO 29 HG3 PRO 29 -11.272 -3.673 0.009
202 HD2 PRO 29 HD2 PRO 29 -11.265 -1.896 -2.403
203 HD3 PRO 29 HD3 PRO 29 -9.915 -2.373 -1.351
204 H LYS 30 HN LYS 30 -12.106 -3.264 -4.444
205 HA LYS 30 HA LYS 30 -13.208 -5.334 -6.207
206 HB2 LYS 30 HB2 LYS 30 -14.955 -3.609 -6.913
207 HB3 LYS 30 HB3 LYS 30 -15.190 -4.398 -5.362
208 HG2 LYS 30 HG2 LYS 30 -15.686 -2.152 -4.969
209 HG3 LYS 30 HG3 LYS 30 -14.055 -2.363 -4.333
210 HD2 LYS 30 HD2 LYS 30 -13.106 -1.353 -6.308
211 HD3 LYS 30 HD3 LYS 30 -14.695 -1.270 -7.072
212 HE2 LYS 30 HE2 LYS 30 -14.024 0.901 -6.171
213 HE3 LYS 30 HE3 LYS 30 -15.454 0.277 -5.348
214 HZ1 LYS 30 HZ1 LYS 30 -14.044 -0.454 -3.529
215 HZ2 LYS 30 HZ2 LYS 30 -13.872 1.208 -3.784
216 HZ3 LYS 30 HZ3 LYS 30 -12.671 0.144 -4.317
217 H LEU 31 HN LEU 31 -13.402 -4.589 -8.484
218 HA LEU 31 HA LEU 31 -11.946 -2.285 -9.333
219 HB2 LEU 31 HB2 LEU 31 -10.103 -3.382 -10.439
220 HB3 LEU 31 HB3 LEU 31 -10.068 -3.746 -8.725
221 HG LEU 31 HG LEU 31 -11.274 -5.664 -10.704
222 HD11 LEU 31 HD11 LEU 31 -8.993 -5.191 -11.442
223 HD12 LEU 31 HD12 LEU 31 -8.394 -5.539 -9.820
224 HD13 LEU 31 HD13 LEU 31 -9.131 -6.821 -10.781
225 HD21 LEU 31 HD21 LEU 31 -10.753 -7.297 -8.969
226 HD22 LEU 31 HD22 LEU 31 -10.052 -6.026 -7.969
227 HD23 LEU 31 HD23 LEU 31 -11.777 -6.009 -8.334
228 H THR 32 HN THR 32 -13.437 -5.370 -10.093
229 HA THR 32 HA THR 32 -14.559 -4.174 -12.512
230 HB THR 32 HB THR 32 -12.580 -5.374 -13.307
231 HG1 THR 32 HG1 THR 32 -14.674 -7.069 -14.076
232 HG21 THR 32 HG21 THR 32 -12.407 -7.803 -13.083
233 HG22 THR 32 HG22 THR 32 -13.863 -7.823 -12.089
234 HG23 THR 32 HG23 THR 32 -12.404 -7.025 -11.499
235 H GLU 33 HN GLU 33 -15.227 -5.455 -9.696
236 HA GLU 33 HA GLU 33 -17.527 -7.008 -10.690
237 HB2 GLU 33 HB2 GLU 33 -17.472 -8.272 -8.584
238 HB3 GLU 33 HB3 GLU 33 -15.975 -8.450 -9.490
239 HG2 GLU 33 HG2 GLU 33 -14.922 -6.770 -8.034
240 HG3 GLU 33 HG3 GLU 33 -16.415 -6.676 -7.099
241 H ALA 34 HN ALA 34 -16.413 -4.390 -8.770
242 HA ALA 34 HA ALA 34 -17.472 -2.720 -7.654
243 HB1 ALA 34 HB1 ALA 34 -19.977 -3.792 -8.951
244 HB2 ALA 34 HB2 ALA 34 -19.775 -2.201 -8.215
245 HB3 ALA 34 HB3 ALA 34 -18.872 -2.620 -9.670
246 HA PRO 35 HA PRO 35 -18.742 -4.378 -3.774
247 HB2 PRO 35 HB2 PRO 35 -20.483 -2.013 -3.404
248 HB3 PRO 35 HB3 PRO 35 -19.126 -2.574 -2.424
249 HG2 PRO 35 HG2 PRO 35 -18.904 -0.418 -3.988
250 HG3 PRO 35 HG3 PRO 35 -17.553 -1.544 -3.771
251 HD2 PRO 35 HD2 PRO 35 -19.447 -1.272 -6.073
252 HD3 PRO 35 HD3 PRO 35 -17.698 -1.582 -6.082
Start of MODEL 10
1 H1 GLU 1 H1 GLU 1 10.521 7.596 -13.269
2 H2 GLU 1 H2 GLU 1 11.515 6.813 -12.147
3 H3 GLU 1 H3 GLU 1 10.608 8.162 -11.676
4 HA GLU 1 HA GLU 1 8.559 6.961 -12.039
5 HB2 GLU 1 HB2 GLU 1 9.477 5.488 -13.820
6 HB3 GLU 1 HB3 GLU 1 10.373 4.604 -12.592
7 HG2 GLU 1 HG2 GLU 1 8.247 3.978 -11.525
8 HG3 GLU 1 HG3 GLU 1 7.379 4.813 -12.811
9 H HIS 2 HN HIS 2 11.576 5.891 -10.576
10 HA HIS 2 HA HIS 2 10.153 4.915 -8.218
11 HB2 HIS 2 HB2 HIS 2 13.070 4.787 -8.999
12 HB3 HIS 2 HB3 HIS 2 12.424 4.157 -7.487
13 HD1 HIS 2 HD1 HIS 2 12.823 3.352 -11.065
14 HD2 HIS 2 HD2 HIS 2 10.731 1.873 -7.794
15 HE1 HIS 2 HE1 HIS 2 12.053 1.055 -11.742
16 HE2 HIS 2 HE2 HIS 2 10.904 0.132 -9.699
17 H LYS 3 HN LYS 3 10.701 5.631 -6.097
18 HA LYS 3 HA LYS 3 11.021 7.213 -4.499
19 HB2 LYS 3 HB2 LYS 3 13.216 8.098 -6.381
20 HB3 LYS 3 HB3 LYS 3 13.024 8.667 -4.728
21 HG2 LYS 3 HG2 LYS 3 13.419 5.776 -5.461
22 HG3 LYS 3 HG3 LYS 3 14.733 6.874 -5.039
23 HD2 LYS 3 HD2 LYS 3 12.372 6.370 -3.238
24 HD3 LYS 3 HD3 LYS 3 13.859 5.424 -3.163
25 HE2 LYS 3 HE2 LYS 3 13.707 8.421 -2.853
26 HE3 LYS 3 HE3 LYS 3 13.778 7.275 -1.514
27 HZ1 LYS 3 HZ1 LYS 3 15.854 7.612 -3.611
28 HZ2 LYS 3 HZ2 LYS 3 15.924 6.517 -2.324
29 HZ3 LYS 3 HZ3 LYS 3 15.957 8.180 -2.020
30 H HIS 4 HN HIS 4 9.283 8.491 -4.380
31 HA HIS 4 HA HIS 4 9.286 10.945 -5.986
32 HB2 HIS 4 HB2 HIS 4 7.721 9.394 -7.064
33 HB3 HIS 4 HB3 HIS 4 6.874 9.177 -5.537
34 HD1 HIS 4 HD1 HIS 4 4.765 10.442 -5.516
35 HD2 HIS 4 HD2 HIS 4 7.717 12.429 -7.660
36 HE1 HIS 4 HE1 HIS 4 3.692 12.565 -6.329
37 HE2 HIS 4 HE2 HIS 4 5.513 13.779 -7.575
38 H SER 5 HN SER 5 7.321 9.371 -3.475
39 HA SER 5 HA SER 5 7.246 11.910 -2.014
40 HB2 SER 5 HB2 SER 5 5.078 10.879 -2.459
41 HB3 SER 5 HB3 SER 5 5.601 9.390 -1.671
42 HG SER 5 HG SER 5 4.332 11.176 -0.474
43 H ASP 6 HN ASP 6 7.505 8.445 -1.175
44 HA ASP 6 HA ASP 6 9.586 9.161 0.772
45 HB2 ASP 6 HB2 ASP 6 7.539 8.906 2.051
46 HB3 ASP 6 HB3 ASP 6 7.218 7.349 1.291
47 H GLU 7 HN GLU 7 7.944 6.441 -0.838
48 HA GLU 7 HA GLU 7 10.493 5.343 -1.638
49 HB2 GLU 7 HB2 GLU 7 10.197 4.463 0.666
50 HB3 GLU 7 HB3 GLU 7 8.680 3.728 0.166
51 HG2 GLU 7 HG2 GLU 7 9.910 2.364 -1.472
52 HG3 GLU 7 HG3 GLU 7 11.418 3.065 -0.888
53 H SER 8 HN SER 8 7.294 3.864 -1.131
54 HA SER 8 HA SER 8 7.212 3.218 -3.989
55 HB2 SER 8 HB2 SER 8 5.546 2.163 -1.687
56 HB3 SER 8 HB3 SER 8 5.425 1.624 -3.363
57 HG SER 8 HG SER 8 7.425 0.729 -3.224
58 H THR 9 HN THR 9 6.668 5.872 -2.858
59 HA THR 9 HA THR 9 5.124 7.549 -2.827
60 HB THR 9 HB THR 9 5.698 7.317 -5.230
61 HG1 THR 9 HG1 THR 9 4.448 9.027 -5.170
62 HG21 THR 9 HG21 THR 9 4.031 6.317 -6.756
63 HG22 THR 9 HG22 THR 9 3.147 5.702 -5.358
64 HG23 THR 9 HG23 THR 9 4.776 5.119 -5.699
65 H SER 10 HN SER 10 4.229 5.167 -1.442
66 HA SER 10 HA SER 10 1.352 5.711 -1.526
67 HB2 SER 10 HB2 SER 10 2.558 2.933 -1.482
68 HB3 SER 10 HB3 SER 10 0.844 3.302 -1.300
69 HG SER 10 HG SER 10 0.787 4.034 -3.391
70 H GLU 11 HN GLU 11 3.728 3.685 0.207
71 HA GLU 11 HA GLU 11 3.474 5.093 2.640
72 HB2 GLU 11 HB2 GLU 11 1.278 4.064 2.737
73 HB3 GLU 11 HB3 GLU 11 1.984 2.478 2.465
74 HG2 GLU 11 HG2 GLU 11 3.105 2.565 4.599
75 HG3 GLU 11 HG3 GLU 11 2.531 4.212 4.864
76 H SEP 12 HN SER 12 3.641 1.620 2.276
77 HA SEP 12 HA SER 12 6.532 1.714 2.783
78 HB2 SEP 12 HB2 SER 12 4.597 -0.179 4.138
79 HB3 SEP 12 HB3 SER 12 6.344 -0.131 4.374
80 H PHE 13 HN PHE 13 4.067 0.655 0.838
81 HA PHE 13 HA PHE 13 5.800 -1.003 -0.710
82 HB2 PHE 13 HB2 PHE 13 3.945 -2.247 1.183
83 HB3 PHE 13 HB3 PHE 13 3.710 -2.798 -0.472
84 HD1 PHE 13 HD2 PHE 13 5.963 -3.406 -1.733
85 HD2 PHE 13 HD1 PHE 13 5.451 -3.370 2.493
86 HE1 PHE 13 HE2 PHE 13 7.875 -4.937 -1.493
87 HE2 PHE 13 HE1 PHE 13 7.365 -4.899 2.740
88 HZ PHE 13 HZ PHE 13 8.571 -5.694 0.740
89 H GLU 14 HN GLU 14 3.786 -2.357 -2.168
90 HA GLU 14 HA GLU 14 1.726 -0.553 -2.924
91 HB2 GLU 14 HB2 GLU 14 3.656 0.597 -3.921
92 HB3 GLU 14 HB3 GLU 14 4.065 -0.863 -4.808
93 HG2 GLU 14 HG2 GLU 14 1.923 -0.730 -5.984
94 HG3 GLU 14 HG3 GLU 14 1.557 0.761 -5.117
95 H SER 15 HN SER 15 3.761 -3.285 -3.881
96 HA SER 15 HA SER 15 1.525 -4.999 -4.209
97 HB2 SER 15 HB2 SER 15 1.741 -5.421 -6.635
98 HB3 SER 15 HB3 SER 15 1.220 -3.772 -6.294
99 HG SER 15 HG SER 15 3.219 -4.455 -7.778
100 H ILE 16 HN ILE 16 2.145 -7.048 -3.958
101 HA ILE 16 HA ILE 16 4.894 -7.819 -4.610
102 HB ILE 16 HB ILE 16 5.102 -9.057 -2.495
103 HG12 ILE 16 HG12 ILE 16 2.651 -7.512 -1.631
104 HG13 ILE 16 HG13 ILE 16 2.643 -9.219 -2.063
105 HG21 ILE 16 HG21 ILE 16 4.639 -6.094 -2.187
106 HG22 ILE 16 HG22 ILE 16 5.545 -7.109 -1.067
107 HG23 ILE 16 HG23 ILE 16 6.131 -6.870 -2.713
108 HD11 ILE 16 HD11 ILE 16 2.712 -8.902 0.343
109 HD12 ILE 16 HD12 ILE 16 4.174 -9.694 -0.243
110 HD13 ILE 16 HD13 ILE 16 4.208 -7.985 0.182
111 H ALA 17 HN ALA 17 1.561 -8.554 -4.257
112 HA ALA 17 HA ALA 17 1.688 -10.805 -5.950
113 HB1 ALA 17 HB1 ALA 17 0.982 -12.547 -4.344
114 HB2 ALA 17 HB2 ALA 17 2.616 -11.955 -4.045
115 HB3 ALA 17 HB3 ALA 17 1.283 -11.414 -3.025
116 H ASP 18 HN ASP 18 -0.523 -11.076 -3.299
117 HA ASP 18 HA ASP 18 -2.556 -9.335 -4.058
118 HB2 ASP 18 HB2 ASP 18 -4.114 -10.939 -5.194
119 HB3 ASP 18 HB3 ASP 18 -2.710 -10.503 -6.162
120 H ASN 19 HN ASN 19 -1.264 -10.850 -1.808
121 HA ASN 19 HA ASN 19 -3.755 -11.724 -0.510
122 HB2 ASN 19 HB2 ASN 19 -2.555 -13.517 0.630
123 HB3 ASN 19 HB3 ASN 19 -2.414 -13.706 -1.115
124 HD21 ASN 19 HD21 ASN 19 -0.433 -13.338 -2.112
125 HD22 ASN 19 HD22 ASN 19 1.045 -13.278 -1.220
126 H ASN 20 HN ASN 20 -1.103 -9.687 -0.466
127 HA ASN 20 HA ASN 20 -1.581 -9.052 2.365
128 HB2 ASN 20 HB2 ASN 20 0.529 -10.228 2.316
129 HB3 ASN 20 HB3 ASN 20 1.104 -9.228 0.986
130 HD21 ASN 20 HD21 ASN 20 1.161 -6.860 1.451
131 HD22 ASN 20 HD22 ASN 20 1.681 -6.368 3.020
132 H ASP 21 HN ASP 21 0.162 -7.830 -0.481
133 HA ASP 21 HA ASP 21 0.051 -5.130 0.179
134 HB2 ASP 21 HB2 ASP 21 0.530 -4.707 -2.203
135 HB3 ASP 21 HB3 ASP 21 1.545 -5.994 -1.559
136 H ASP 22 HN ASP 22 -2.109 -7.135 -1.778
137 HA ASP 22 HA ASP 22 -3.982 -4.958 -2.136
138 HB2 ASP 22 HB2 ASP 22 -3.892 -7.840 -2.999
139 HB3 ASP 22 HB3 ASP 22 -5.356 -6.877 -3.195
140 H SER 23 HN SER 23 -3.231 -6.236 0.534
141 HA SER 23 HA SER 23 -5.938 -7.024 1.384
142 HB2 SER 23 HB2 SER 23 -4.191 -8.731 1.778
143 HB3 SER 23 HB3 SER 23 -3.303 -7.575 2.769
144 HG SER 23 HG SER 23 -5.517 -9.075 3.377
145 H TYR 24 HN TYR 24 -3.088 -5.095 2.369
146 HA TYR 24 HA TYR 24 -4.976 -3.266 3.667
147 HB2 TYR 24 HB2 TYR 24 -3.499 -3.031 5.632
148 HB3 TYR 24 HB3 TYR 24 -4.218 -4.628 5.492
149 HD1 TYR 24 HD2 TYR 24 -2.786 -6.510 4.586
150 HD2 TYR 24 HD1 TYR 24 -1.174 -2.752 5.754
151 HE1 TYR 24 HE2 TYR 24 -0.551 -7.521 4.734
152 HE2 TYR 24 HE1 TYR 24 1.066 -3.751 5.903
153 HH TYR 24 HH TYR 24 1.838 -6.733 4.594
154 H PHE 25 HN PHE 25 -2.621 -3.574 1.452
155 HA PHE 25 HA PHE 25 -1.516 -0.893 1.961
156 HB2 PHE 25 HB2 PHE 25 -0.488 -3.269 0.475
157 HB3 PHE 25 HB3 PHE 25 0.006 -1.672 -0.062
158 HD1 PHE 25 HD2 PHE 25 0.668 -0.105 2.079
159 HD2 PHE 25 HD1 PHE 25 0.998 -4.341 1.832
160 HE1 PHE 25 HE2 PHE 25 2.403 -0.068 3.824
161 HE2 PHE 25 HE1 PHE 25 2.730 -4.312 3.578
162 HZ PHE 25 HZ PHE 25 3.477 -2.164 4.534
163 H GLN 26 HN GLN 26 -3.460 -2.784 -0.179
164 HA GLN 26 HA GLN 26 -3.898 -0.407 -1.856
165 HB2 GLN 26 HB2 GLN 26 -3.006 -3.018 -2.639
166 HB3 GLN 26 HB3 GLN 26 -4.583 -2.707 -3.352
167 HG2 GLN 26 HG2 GLN 26 -2.190 -0.898 -3.580
168 HG3 GLN 26 HG3 GLN 26 -2.725 -2.041 -4.810
169 HE21 GLN 26 HE21 GLN 26 -5.549 -1.534 -4.281
170 HE22 GLN 26 HE22 GLN 26 -5.899 0.005 -4.978
171 H ARG 27 HN ARG 27 -5.229 -2.992 -0.013
172 HA ARG 27 HA ARG 27 -7.909 -2.722 -1.031
173 HB2 ARG 27 HB2 ARG 27 -6.615 -4.712 0.277
174 HB3 ARG 27 HB3 ARG 27 -7.484 -3.975 1.615
175 HG2 ARG 27 HG2 ARG 27 -8.782 -4.893 -0.938
176 HG3 ARG 27 HG3 ARG 27 -8.674 -5.863 0.531
177 HD2 ARG 27 HD2 ARG 27 -9.999 -3.161 0.329
178 HD3 ARG 27 HD3 ARG 27 -10.845 -4.706 0.290
179 HE ARG 27 HE ARG 27 -9.277 -4.607 2.608
180 HH11 ARG 27 HH12 ARG 27 -12.083 -3.068 1.232
181 HH12 ARG 27 HH11 ARG 27 -12.806 -2.723 2.767
182 HH21 ARG 27 HH22 ARG 27 -10.221 -4.162 4.634
183 HH22 ARG 27 HH21 ARG 27 -11.747 -3.344 4.704
184 H LYS 28 HN LYS 28 -7.512 -0.261 -0.601
185 HA LYS 28 HA LYS 28 -8.078 1.628 0.511
186 HB2 LYS 28 HB2 LYS 28 -10.037 -0.344 1.650
187 HB3 LYS 28 HB3 LYS 28 -10.060 1.356 2.109
188 HG2 LYS 28 HG2 LYS 28 -10.147 0.486 -0.752
189 HG3 LYS 28 HG3 LYS 28 -11.610 0.634 0.228
190 HD2 LYS 28 HD2 LYS 28 -11.019 2.985 0.686
191 HD3 LYS 28 HD3 LYS 28 -9.603 2.813 -0.354
192 HE2 LYS 28 HE2 LYS 28 -11.400 3.875 -1.580
193 HE3 LYS 28 HE3 LYS 28 -11.084 2.272 -2.244
194 HZ1 LYS 28 HZ1 LYS 28 -12.979 1.426 -1.006
195 HZ2 LYS 28 HZ2 LYS 28 -13.451 2.685 -2.032
196 HZ3 LYS 28 HZ3 LYS 28 -13.284 2.965 -0.373
197 HA PRO 29 HA PRO 29 -5.627 0.754 4.276
198 HB2 PRO 29 HB2 PRO 29 -3.534 2.409 3.614
199 HB3 PRO 29 HB3 PRO 29 -3.624 0.696 3.207
200 HG2 PRO 29 HG2 PRO 29 -3.765 2.981 1.447
201 HG3 PRO 29 HG3 PRO 29 -3.692 1.264 1.030
202 HD2 PRO 29 HD2 PRO 29 -5.999 3.057 1.098
203 HD3 PRO 29 HD3 PRO 29 -5.849 1.447 0.369
204 H LYS 30 HN LYS 30 -6.586 1.808 5.903
205 HA LYS 30 HA LYS 30 -6.042 4.631 6.233
206 HB2 LYS 30 HB2 LYS 30 -8.622 4.726 7.006
207 HB3 LYS 30 HB3 LYS 30 -8.071 5.189 5.404
208 HG2 LYS 30 HG2 LYS 30 -10.021 3.785 5.236
209 HG3 LYS 30 HG3 LYS 30 -8.617 2.942 4.581
210 HD2 LYS 30 HD2 LYS 30 -8.398 1.657 6.630
211 HD3 LYS 30 HD3 LYS 30 -9.738 2.550 7.354
212 HE2 LYS 30 HE2 LYS 30 -9.922 0.808 4.899
213 HE3 LYS 30 HE3 LYS 30 -10.427 0.339 6.522
214 HZ1 LYS 30 HZ1 LYS 30 -12.288 1.087 5.154
215 HZ2 LYS 30 HZ2 LYS 30 -11.561 2.604 4.969
216 HZ3 LYS 30 HZ3 LYS 30 -12.069 2.091 6.499
217 H LEU 31 HN LEU 31 -6.201 1.613 7.387
218 HA LEU 31 HA LEU 31 -6.212 0.614 9.445
219 HB2 LEU 31 HB2 LEU 31 -4.786 3.205 10.023
220 HB3 LEU 31 HB3 LEU 31 -4.839 1.857 11.141
221 HG LEU 31 HG LEU 31 -3.763 0.465 9.299
222 HD11 LEU 31 HD11 LEU 31 -2.479 1.723 7.626
223 HD12 LEU 31 HD12 LEU 31 -4.217 1.928 7.420
224 HD13 LEU 31 HD13 LEU 31 -3.261 3.210 8.160
225 HD21 LEU 31 HD21 LEU 31 -1.524 1.293 9.834
226 HD22 LEU 31 HD22 LEU 31 -2.228 2.774 10.482
227 HD23 LEU 31 HD23 LEU 31 -2.552 1.228 11.265
228 H THR 32 HN THR 32 -8.639 2.081 8.898
229 HA THR 32 HA THR 32 -9.638 2.235 11.598
230 HB THR 32 HB THR 32 -8.734 4.526 11.247
231 HG1 THR 32 HG1 THR 32 -11.548 4.738 11.267
232 HG21 THR 32 HG21 THR 32 -9.829 6.030 9.676
233 HG22 THR 32 HG22 THR 32 -10.854 4.714 9.104
234 HG23 THR 32 HG23 THR 32 -9.114 4.665 8.818
235 H GLU 33 HN GLU 33 -12.067 3.191 11.381
236 HA GLU 33 HA GLU 33 -13.280 1.931 9.017
237 HB2 GLU 33 HB2 GLU 33 -15.074 1.040 10.408
238 HB3 GLU 33 HB3 GLU 33 -13.516 0.436 10.951
239 HG2 GLU 33 HG2 GLU 33 -14.937 2.758 12.225
240 HG3 GLU 33 HG3 GLU 33 -15.101 1.089 12.766
241 H ALA 34 HN ALA 34 -15.609 2.621 8.732
242 HA ALA 34 HA ALA 34 -15.732 5.423 8.516
243 HB1 ALA 34 HB1 ALA 34 -16.963 3.916 7.031
244 HB2 ALA 34 HB2 ALA 34 -17.998 3.435 8.378
245 HB3 ALA 34 HB3 ALA 34 -18.034 5.095 7.786
246 HA PRO 35 HA PRO 35 -17.204 6.711 12.478
247 HB2 PRO 35 HB2 PRO 35 -18.694 8.882 11.812
248 HB3 PRO 35 HB3 PRO 35 -16.928 8.879 11.773
249 HG2 PRO 35 HG2 PRO 35 -18.876 8.525 9.526
250 HG3 PRO 35 HG3 PRO 35 -17.392 9.496 9.577
251 HD2 PRO 35 HD2 PRO 35 -17.485 7.065 8.404
252 HD3 PRO 35 HD3 PRO 35 -16.032 7.666 9.224
Start of MODEL 11
1 H1 GLU 1 H1 GLU 1 -6.131 8.544 -6.885
2 H2 GLU 1 H2 GLU 1 -6.300 7.241 -7.949
3 H3 GLU 1 H3 GLU 1 -7.306 8.591 -8.100
4 HA GLU 1 HA GLU 1 -5.586 8.572 -9.795
5 HB2 GLU 1 HB2 GLU 1 -5.365 10.747 -7.706
6 HB3 GLU 1 HB3 GLU 1 -4.700 10.865 -9.329
7 HG2 GLU 1 HG2 GLU 1 -7.611 10.512 -8.651
8 HG3 GLU 1 HG3 GLU 1 -6.838 12.027 -9.118
9 H HIS 2 HN HIS 2 -3.522 8.185 -10.375
10 HA HIS 2 HA HIS 2 -1.486 8.006 -8.264
11 HB2 HIS 2 HB2 HIS 2 -1.967 5.936 -10.418
12 HB3 HIS 2 HB3 HIS 2 -0.613 5.933 -9.294
13 HD1 HIS 2 HD1 HIS 2 -3.964 4.655 -9.700
14 HD2 HIS 2 HD2 HIS 2 -1.536 5.684 -6.490
15 HE1 HIS 2 HE1 HIS 2 -4.982 3.523 -7.699
16 HE2 HIS 2 HE2 HIS 2 -3.448 4.093 -5.783
17 H LYS 3 HN LYS 3 -0.252 9.709 -8.832
18 HA LYS 3 HA LYS 3 0.678 9.853 -11.624
19 HB2 LYS 3 HB2 LYS 3 0.239 11.996 -9.557
20 HB3 LYS 3 HB3 LYS 3 1.291 12.264 -10.939
21 HG2 LYS 3 HG2 LYS 3 -0.808 13.161 -11.513
22 HG3 LYS 3 HG3 LYS 3 -0.660 11.647 -12.405
23 HD2 LYS 3 HD2 LYS 3 -2.035 10.524 -10.713
24 HD3 LYS 3 HD3 LYS 3 -2.185 12.044 -9.829
25 HE2 LYS 3 HE2 LYS 3 -3.180 11.485 -12.622
26 HE3 LYS 3 HE3 LYS 3 -4.169 11.640 -11.171
27 HZ1 LYS 3 HZ1 LYS 3 -3.491 13.936 -10.974
28 HZ2 LYS 3 HZ2 LYS 3 -4.160 13.670 -12.505
29 HZ3 LYS 3 HZ3 LYS 3 -2.483 13.796 -12.326
30 H HIS 4 HN HIS 4 1.602 8.827 -8.660
31 HA HIS 4 HA HIS 4 3.583 8.282 -7.692
32 HB2 HIS 4 HB2 HIS 4 4.677 8.824 -10.461
33 HB3 HIS 4 HB3 HIS 4 5.547 8.006 -9.169
34 HD1 HIS 4 HD1 HIS 4 2.981 7.471 -11.785
35 HD2 HIS 4 HD2 HIS 4 4.609 5.384 -8.581
36 HE1 HIS 4 HE1 HIS 4 2.253 5.084 -12.098
37 HE2 HIS 4 HE2 HIS 4 3.311 3.827 -10.187
38 H SER 5 HN SER 5 5.996 9.155 -7.473
39 HA SER 5 HA SER 5 6.262 12.001 -7.790
40 HB2 SER 5 HB2 SER 5 4.846 11.969 -5.807
41 HB3 SER 5 HB3 SER 5 5.936 10.831 -5.016
42 HG SER 5 HG SER 5 6.085 13.517 -5.148
43 H ASP 6 HN ASP 6 7.447 8.901 -6.954
44 HA ASP 6 HA ASP 6 9.530 8.009 -6.797
45 HB2 ASP 6 HB2 ASP 6 9.867 9.128 -8.963
46 HB3 ASP 6 HB3 ASP 6 10.377 10.592 -8.128
47 H GLU 7 HN GLU 7 10.009 7.832 -4.695
48 HA GLU 7 HA GLU 7 11.836 9.722 -3.534
49 HB2 GLU 7 HB2 GLU 7 10.400 10.030 -1.461
50 HB3 GLU 7 HB3 GLU 7 9.904 10.926 -2.888
51 HG2 GLU 7 HG2 GLU 7 8.186 9.250 -3.346
52 HG3 GLU 7 HG3 GLU 7 8.686 8.351 -1.915
53 H SER 8 HN SER 8 9.560 7.149 -2.595
54 HA SER 8 HA SER 8 11.782 5.789 -1.222
55 HB2 SER 8 HB2 SER 8 10.018 4.604 0.063
56 HB3 SER 8 HB3 SER 8 9.932 6.353 0.276
57 HG SER 8 HG SER 8 8.347 6.174 -1.573
58 H THR 9 HN THR 9 10.089 5.807 -4.013
59 HA THR 9 HA THR 9 9.673 4.360 -5.701
60 HB THR 9 HB THR 9 11.364 2.804 -6.235
61 HG1 THR 9 HG1 THR 9 12.921 2.602 -4.139
62 HG21 THR 9 HG21 THR 9 13.446 4.032 -5.815
63 HG22 THR 9 HG22 THR 9 12.628 4.983 -4.574
64 HG23 THR 9 HG23 THR 9 12.131 5.121 -6.262
65 H SER 10 HN SER 10 8.395 3.850 -2.995
66 HA SER 10 HA SER 10 7.031 1.458 -3.746
67 HB2 SER 10 HB2 SER 10 9.108 0.518 -2.716
68 HB3 SER 10 HB3 SER 10 8.668 1.316 -1.205
69 HG SER 10 HG SER 10 7.658 -0.963 -2.350
70 H GLU 11 HN GLU 11 7.163 4.372 -2.317
71 HA GLU 11 HA GLU 11 5.729 5.618 -1.078
72 HB2 GLU 11 HB2 GLU 11 3.867 3.318 -1.653
73 HB3 GLU 11 HB3 GLU 11 3.366 4.829 -0.905
74 HG2 GLU 11 HG2 GLU 11 4.019 6.052 -2.897
75 HG3 GLU 11 HG3 GLU 11 4.586 4.558 -3.644
76 H SEP 12 HN SER 12 4.322 2.627 0.029
77 HA SEP 12 HA SER 12 5.146 3.280 2.751
78 HB2 SEP 12 HB2 SER 12 2.746 2.929 2.390
79 HB3 SEP 12 HB3 SER 12 3.076 1.308 1.777
80 H PHE 13 HN PHE 13 4.566 0.241 1.087
81 HA PHE 13 HA PHE 13 7.193 -0.755 1.277
82 HB2 PHE 13 HB2 PHE 13 6.594 -0.755 3.714
83 HB3 PHE 13 HB3 PHE 13 5.305 -1.897 3.344
84 HD1 PHE 13 HD2 PHE 13 8.952 -1.425 3.454
85 HD2 PHE 13 HD1 PHE 13 5.759 -4.196 2.972
86 HE1 PHE 13 HE2 PHE 13 10.538 -3.290 3.701
87 HE2 PHE 13 HE1 PHE 13 7.339 -6.066 3.218
88 HZ PHE 13 HZ PHE 13 9.732 -5.613 3.585
89 H GLU 14 HN GLU 14 7.105 -1.836 -0.589
90 HA GLU 14 HA GLU 14 4.736 -3.243 -1.399
91 HB2 GLU 14 HB2 GLU 14 6.114 -2.009 -3.028
92 HB3 GLU 14 HB3 GLU 14 7.450 -3.107 -2.715
93 HG2 GLU 14 HG2 GLU 14 6.131 -4.969 -3.573
94 HG3 GLU 14 HG3 GLU 14 4.778 -3.879 -3.867
95 H SER 15 HN SER 15 4.685 -4.739 0.396
96 HA SER 15 HA SER 15 6.729 -6.659 0.831
97 HB2 SER 15 HB2 SER 15 4.902 -6.004 2.461
98 HB3 SER 15 HB3 SER 15 3.794 -6.977 1.492
99 HG SER 15 HG SER 15 4.490 -8.413 2.928
100 H ILE 16 HN ILE 16 4.972 -9.021 0.883
101 HA ILE 16 HA ILE 16 5.653 -10.249 -1.487
102 HB ILE 16 HB ILE 16 3.251 -10.872 0.242
103 HG12 ILE 16 HG12 ILE 16 6.004 -12.124 0.285
104 HG13 ILE 16 HG13 ILE 16 5.494 -10.854 1.392
105 HG21 ILE 16 HG21 ILE 16 3.435 -13.140 -0.700
106 HG22 ILE 16 HG22 ILE 16 3.054 -11.932 -1.926
107 HG23 ILE 16 HG23 ILE 16 4.694 -12.568 -1.792
108 HD11 ILE 16 HD11 ILE 16 3.734 -12.312 2.248
109 HD12 ILE 16 HD12 ILE 16 4.255 -13.584 1.143
110 HD13 ILE 16 HD13 ILE 16 5.332 -13.038 2.428
111 H ALA 17 HN ALA 17 2.466 -8.904 -0.641
112 HA ALA 17 HA ALA 17 0.724 -8.178 -1.899
113 HB1 ALA 17 HB1 ALA 17 1.255 -6.925 -3.922
114 HB2 ALA 17 HB2 ALA 17 2.353 -6.516 -2.604
115 HB3 ALA 17 HB3 ALA 17 2.893 -7.579 -3.903
116 H ASP 18 HN ASP 18 0.223 -8.249 -4.649
117 HA ASP 18 HA ASP 18 -0.656 -9.593 -6.255
118 HB2 ASP 18 HB2 ASP 18 1.457 -11.564 -5.352
119 HB3 ASP 18 HB3 ASP 18 0.542 -11.651 -6.854
120 H ASN 19 HN ASN 19 -0.984 -10.041 -3.142
121 HA ASN 19 HA ASN 19 -3.355 -11.468 -3.190
122 HB2 ASN 19 HB2 ASN 19 -2.745 -13.578 -2.227
123 HB3 ASN 19 HB3 ASN 19 -1.792 -13.369 -3.688
124 HD21 ASN 19 HD21 ASN 19 0.408 -13.081 -3.538
125 HD22 ASN 19 HD22 ASN 19 1.289 -13.353 -2.078
126 H ASN 20 HN ASN 20 -0.980 -9.660 -1.838
127 HA ASN 20 HA ASN 20 -2.129 -9.811 0.866
128 HB2 ASN 20 HB2 ASN 20 0.219 -10.445 0.862
129 HB3 ASN 20 HB3 ASN 20 0.644 -8.978 -0.010
130 HD21 ASN 20 HD21 ASN 20 -1.768 -8.867 2.446
131 HD22 ASN 20 HD22 ASN 20 -0.823 -8.054 3.640
132 H ASP 21 HN ASP 21 -0.727 -7.593 -1.527
133 HA ASP 21 HA ASP 21 -1.376 -5.197 -0.218
134 HB2 ASP 21 HB2 ASP 21 -0.921 -4.103 -2.314
135 HB3 ASP 21 HB3 ASP 21 0.222 -5.432 -2.133
136 H ASP 22 HN ASP 22 -3.392 -7.468 -1.708
137 HA ASP 22 HA ASP 22 -5.412 -5.789 -2.749
138 HB2 ASP 22 HB2 ASP 22 -6.636 -7.752 -3.086
139 HB3 ASP 22 HB3 ASP 22 -4.962 -8.300 -3.140
140 H SER 23 HN SER 23 -4.439 -5.759 0.318
141 HA SER 23 HA SER 23 -6.870 -4.666 1.303
142 HB2 SER 23 HB2 SER 23 -7.427 -7.086 1.438
143 HB3 SER 23 HB3 SER 23 -6.046 -7.317 2.509
144 HG SER 23 HG SER 23 -8.463 -5.966 2.984
145 H TYR 24 HN TYR 24 -3.666 -5.919 1.920
146 HA TYR 24 HA TYR 24 -3.391 -4.527 4.431
147 HB2 TYR 24 HB2 TYR 24 -2.133 -6.426 4.542
148 HB3 TYR 24 HB3 TYR 24 -1.765 -6.414 2.824
149 HD1 TYR 24 HD1 TYR 24 -0.958 -4.535 5.955
150 HD2 TYR 24 HD2 TYR 24 0.372 -5.889 2.148
151 HE1 TYR 24 HE1 TYR 24 1.298 -3.687 6.446
152 HE2 TYR 24 HE2 TYR 24 2.629 -5.050 2.626
153 HH TYR 24 HH TYR 24 3.618 -4.097 5.727
154 H PHE 25 HN PHE 25 -2.307 -4.089 1.095
155 HA PHE 25 HA PHE 25 -0.823 -1.690 1.823
156 HB2 PHE 25 HB2 PHE 25 0.049 -3.304 0.121
157 HB3 PHE 25 HB3 PHE 25 -1.288 -2.856 -0.928
158 HD1 PHE 25 HD1 PHE 25 1.809 -1.671 0.659
159 HD2 PHE 25 HD2 PHE 25 -1.269 -0.818 -2.154
160 HE1 PHE 25 HE1 PHE 25 3.142 0.199 -0.228
161 HE2 PHE 25 HE2 PHE 25 0.058 1.052 -3.046
162 HZ PHE 25 HZ PHE 25 2.267 1.563 -2.083
163 H GLN 26 HN GLN 26 -3.598 -2.595 -0.189
164 HA GLN 26 HA GLN 26 -4.243 0.096 -0.867
165 HB2 GLN 26 HB2 GLN 26 -5.860 -2.449 -1.066
166 HB3 GLN 26 HB3 GLN 26 -6.358 -0.903 -1.737
167 HG2 GLN 26 HG2 GLN 26 -4.429 -0.897 -3.210
168 HG3 GLN 26 HG3 GLN 26 -3.873 -2.415 -2.509
169 HE21 GLN 26 HE21 GLN 26 -3.945 -3.488 -4.469
170 HE22 GLN 26 HE22 GLN 26 -5.429 -3.931 -5.232
171 H ARG 27 HN ARG 27 -5.630 -2.282 1.377
172 HA ARG 27 HA ARG 27 -6.949 -2.076 3.214
173 HB2 ARG 27 HB2 ARG 27 -5.851 0.740 3.226
174 HB3 ARG 27 HB3 ARG 27 -6.746 0.004 4.548
175 HG2 ARG 27 HG2 ARG 27 -4.991 -1.693 4.780
176 HG3 ARG 27 HG3 ARG 27 -4.088 -0.918 3.477
177 HD2 ARG 27 HD2 ARG 27 -3.917 1.125 4.791
178 HD3 ARG 27 HD3 ARG 27 -4.869 0.393 6.080
179 HE ARG 27 HE ARG 27 -2.685 -1.262 5.651
180 HH11 ARG 27 HH12 ARG 27 -3.287 2.015 6.671
181 HH12 ARG 27 HH11 ARG 27 -1.877 2.101 7.673
182 HH21 ARG 27 HH22 ARG 27 -0.824 -1.159 6.971
183 HH22 ARG 27 HH21 ARG 27 -0.478 0.297 7.844
184 H LYS 28 HN LYS 28 -8.965 -2.345 2.368
185 HA LYS 28 HA LYS 28 -10.482 0.120 1.830
186 HB2 LYS 28 HB2 LYS 28 -10.314 -2.396 0.255
187 HB3 LYS 28 HB3 LYS 28 -11.894 -1.634 0.381
188 HG2 LYS 28 HG2 LYS 28 -10.922 -0.819 -1.599
189 HG3 LYS 28 HG3 LYS 28 -10.793 0.490 -0.422
190 HD2 LYS 28 HD2 LYS 28 -8.474 -0.097 0.005
191 HD3 LYS 28 HD3 LYS 28 -8.598 -1.461 -1.108
192 HE2 LYS 28 HE2 LYS 28 -8.935 1.447 -1.839
193 HE3 LYS 28 HE3 LYS 28 -7.495 0.477 -2.139
194 HZ1 LYS 28 HZ1 LYS 28 -8.904 0.648 -4.102
195 HZ2 LYS 28 HZ2 LYS 28 -10.189 -0.066 -3.266
196 HZ3 LYS 28 HZ3 LYS 28 -8.785 -0.956 -3.577
197 HA PRO 29 HA PRO 29 -12.429 -2.204 5.349
198 HB2 PRO 29 HB2 PRO 29 -12.906 0.509 6.370
199 HB3 PRO 29 HB3 PRO 29 -12.110 -0.859 7.153
200 HG2 PRO 29 HG2 PRO 29 -10.731 1.294 6.326
201 HG3 PRO 29 HG3 PRO 29 -10.046 -0.342 6.261
202 HD2 PRO 29 HD2 PRO 29 -11.249 1.295 4.056
203 HD3 PRO 29 HD3 PRO 29 -9.784 0.287 4.040
204 H LYS 30 HN LYS 30 -13.425 0.227 3.137
205 HA LYS 30 HA LYS 30 -16.186 0.240 3.993
206 HB2 LYS 30 HB2 LYS 30 -16.485 1.632 1.885
207 HB3 LYS 30 HB3 LYS 30 -15.443 2.310 3.129
208 HG2 LYS 30 HG2 LYS 30 -13.524 1.972 1.901
209 HG3 LYS 30 HG3 LYS 30 -14.249 0.691 0.926
210 HD2 LYS 30 HD2 LYS 30 -15.541 2.261 -0.311
211 HD3 LYS 30 HD3 LYS 30 -15.106 3.574 0.785
212 HE2 LYS 30 HE2 LYS 30 -13.850 3.681 -1.323
213 HE3 LYS 30 HE3 LYS 30 -12.792 3.440 0.066
214 HZ1 LYS 30 HZ1 LYS 30 -13.707 1.312 -1.795
215 HZ2 LYS 30 HZ2 LYS 30 -12.684 1.087 -0.467
216 HZ3 LYS 30 HZ3 LYS 30 -12.169 2.016 -1.782
217 H LEU 31 HN LEU 31 -14.348 -1.881 2.374
218 HA LEU 31 HA LEU 31 -14.712 -3.659 1.012
219 HB2 LEU 31 HB2 LEU 31 -17.563 -3.216 1.894
220 HB3 LEU 31 HB3 LEU 31 -17.004 -4.633 1.027
221 HG LEU 31 HG LEU 31 -16.160 -3.788 3.800
222 HD11 LEU 31 HD11 LEU 31 -18.396 -4.734 3.715
223 HD12 LEU 31 HD12 LEU 31 -17.789 -6.127 2.821
224 HD13 LEU 31 HD13 LEU 31 -17.275 -5.856 4.486
225 HD21 LEU 31 HD21 LEU 31 -14.969 -5.972 3.825
226 HD22 LEU 31 HD22 LEU 31 -15.270 -6.107 2.092
227 HD23 LEU 31 HD23 LEU 31 -14.271 -4.793 2.715
228 H THR 32 HN THR 32 -17.899 -2.337 0.279
229 HA THR 32 HA THR 32 -17.018 -1.185 -2.218
230 HB THR 32 HB THR 32 -17.105 -3.488 -2.920
231 HG1 THR 32 HG1 THR 32 -18.704 -1.577 -3.910
232 HG21 THR 32 HG21 THR 32 -18.541 -4.376 -1.150
233 HG22 THR 32 HG22 THR 32 -19.152 -4.828 -2.741
234 HG23 THR 32 HG23 THR 32 -19.925 -3.527 -1.837
235 H GLU 33 HN GLU 33 -18.382 0.347 -2.943
236 HA GLU 33 HA GLU 33 -20.052 1.887 -2.886
237 HB2 GLU 33 HB2 GLU 33 -21.742 -0.580 -2.440
238 HB3 GLU 33 HB3 GLU 33 -22.345 0.991 -2.952
239 HG2 GLU 33 HG2 GLU 33 -20.457 -0.782 -4.484
240 HG3 GLU 33 HG3 GLU 33 -22.162 -0.508 -4.837
241 H ALA 34 HN ALA 34 -19.472 3.012 -1.027
242 HA ALA 34 HA ALA 34 -21.408 3.099 1.027
243 HB1 ALA 34 HB1 ALA 34 -18.751 1.928 1.845
244 HB2 ALA 34 HB2 ALA 34 -20.063 2.383 2.933
245 HB3 ALA 34 HB3 ALA 34 -20.286 1.062 1.784
246 HA PRO 35 HA PRO 35 -19.582 7.135 1.245
247 HB2 PRO 35 HB2 PRO 35 -20.666 8.020 3.567
248 HB3 PRO 35 HB3 PRO 35 -21.601 7.860 2.075
249 HG2 PRO 35 HG2 PRO 35 -21.446 6.006 4.420
250 HG3 PRO 35 HG3 PRO 35 -22.868 6.525 3.497
251 HD2 PRO 35 HD2 PRO 35 -21.665 4.129 3.102
252 HD3 PRO 35 HD3 PRO 35 -22.467 5.024 1.794
Start of MODEL 12
1 H1 GLU 1 H1 GLU 1 16.738 8.408 -6.794
2 H2 GLU 1 H2 GLU 1 16.816 7.044 -7.789
3 H3 GLU 1 H3 GLU 1 15.464 7.297 -6.806
4 HA GLU 1 HA GLU 1 16.295 9.054 -9.039
5 HB2 GLU 1 HB2 GLU 1 14.014 7.073 -8.889
6 HB3 GLU 1 HB3 GLU 1 14.359 8.147 -10.238
7 HG2 GLU 1 HG2 GLU 1 16.493 7.010 -10.596
8 HG3 GLU 1 HG3 GLU 1 16.135 5.926 -9.252
9 H HIS 2 HN HIS 2 14.829 8.860 -6.076
10 HA HIS 2 HA HIS 2 13.457 11.379 -6.495
11 HB2 HIS 2 HB2 HIS 2 11.807 9.500 -7.005
12 HB3 HIS 2 HB3 HIS 2 11.908 9.082 -5.296
13 HD1 HIS 2 HD1 HIS 2 10.742 11.842 -7.580
14 HD2 HIS 2 HD2 HIS 2 10.418 10.671 -3.608
15 HE1 HIS 2 HE1 HIS 2 8.989 13.342 -6.578
16 HE2 HIS 2 HE2 HIS 2 8.889 12.685 -4.149
17 H LYS 3 HN LYS 3 15.139 9.165 -4.625
18 HA LYS 3 HA LYS 3 16.109 9.269 -2.578
19 HB2 LYS 3 HB2 LYS 3 16.467 11.672 -3.245
20 HB3 LYS 3 HB3 LYS 3 15.000 12.069 -2.361
21 HG2 LYS 3 HG2 LYS 3 16.888 12.551 -0.979
22 HG3 LYS 3 HG3 LYS 3 16.047 11.154 -0.309
23 HD2 LYS 3 HD2 LYS 3 17.693 9.682 -1.440
24 HD3 LYS 3 HD3 LYS 3 18.564 11.123 -1.974
25 HE2 LYS 3 HE2 LYS 3 18.072 10.265 0.876
26 HE3 LYS 3 HE3 LYS 3 19.608 10.209 0.012
27 HZ1 LYS 3 HZ1 LYS 3 19.475 12.136 1.463
28 HZ2 LYS 3 HZ2 LYS 3 18.083 12.673 0.665
29 HZ3 LYS 3 HZ3 LYS 3 19.560 12.619 -0.157
30 H HIS 4 HN HIS 4 12.838 9.433 -3.068
31 HA HIS 4 HA HIS 4 12.332 8.686 -0.285
32 HB2 HIS 4 HB2 HIS 4 10.724 10.700 -1.864
33 HB3 HIS 4 HB3 HIS 4 10.173 9.966 -0.361
34 HD1 HIS 4 HD1 HIS 4 12.206 12.708 -1.675
35 HD2 HIS 4 HD2 HIS 4 11.807 10.681 1.930
36 HE1 HIS 4 HE1 HIS 4 13.312 14.171 0.046
37 HE2 HIS 4 HE2 HIS 4 12.990 12.961 2.231
38 H SER 5 HN SER 5 10.901 8.930 -3.522
39 HA SER 5 HA SER 5 9.607 7.509 -4.737
40 HB2 SER 5 HB2 SER 5 11.526 5.999 -4.440
41 HB3 SER 5 HB3 SER 5 10.833 5.413 -2.928
42 HG SER 5 HG SER 5 10.431 4.384 -5.240
43 H ASP 6 HN ASP 6 8.719 8.576 -2.000
44 HA ASP 6 HA ASP 6 6.235 7.051 -1.930
45 HB2 ASP 6 HB2 ASP 6 7.943 7.605 0.506
46 HB3 ASP 6 HB3 ASP 6 6.289 7.002 0.563
47 H GLU 7 HN GLU 7 5.646 8.534 0.658
48 HA GLU 7 HA GLU 7 5.713 11.315 0.168
49 HB2 GLU 7 HB2 GLU 7 4.141 10.722 -1.656
50 HB3 GLU 7 HB3 GLU 7 3.079 9.964 -0.478
51 HG2 GLU 7 HG2 GLU 7 2.730 12.116 0.607
52 HG3 GLU 7 HG3 GLU 7 3.813 12.883 -0.552
53 H SER 8 HN SER 8 2.964 9.364 1.246
54 HA SER 8 HA SER 8 3.000 10.596 3.836
55 HB2 SER 8 HB2 SER 8 0.874 9.883 2.790
56 HB3 SER 8 HB3 SER 8 1.421 8.207 2.825
57 HG SER 8 HG SER 8 1.685 9.151 5.269
58 H THR 9 HN THR 9 3.965 7.593 2.357
59 HA THR 9 HA THR 9 6.105 6.970 3.909
60 HB THR 9 HB THR 9 4.683 6.845 5.862
61 HG1 THR 9 HG1 THR 9 6.376 5.353 5.822
62 HG21 THR 9 HG21 THR 9 3.167 4.687 4.395
63 HG22 THR 9 HG22 THR 9 2.564 6.306 4.749
64 HG23 THR 9 HG23 THR 9 2.902 5.182 6.066
65 H SER 10 HN SER 10 3.274 5.729 2.272
66 HA SER 10 HA SER 10 4.904 4.057 0.589
67 HB2 SER 10 HB2 SER 10 2.826 2.766 2.377
68 HB3 SER 10 HB3 SER 10 3.721 1.958 1.092
69 HG SER 10 HG SER 10 4.517 1.798 3.372
70 H GLU 11 HN GLU 11 2.118 5.800 1.324
71 HA GLU 11 HA GLU 11 0.257 6.395 0.169
72 HB2 GLU 11 HB2 GLU 11 2.037 5.594 -2.123
73 HB3 GLU 11 HB3 GLU 11 0.469 6.352 -2.346
74 HG2 GLU 11 HG2 GLU 11 2.765 7.561 -0.820
75 HG3 GLU 11 HG3 GLU 11 2.347 7.936 -2.492
76 H SEP 12 HN SER 12 0.627 4.285 -2.477
77 HA SEP 12 HA SER 12 -0.681 2.007 -1.372
78 HB2 SEP 12 HB2 SER 12 -2.789 2.272 -2.740
79 HB3 SEP 12 HB3 SER 12 -2.651 3.361 -1.360
80 H PHE 13 HN PHE 13 1.382 1.448 -2.514
81 HA PHE 13 HA PHE 13 0.732 0.249 -5.033
82 HB2 PHE 13 HB2 PHE 13 2.646 1.264 -6.277
83 HB3 PHE 13 HB3 PHE 13 1.352 2.400 -5.920
84 HD1 PHE 13 HD2 PHE 13 4.758 1.354 -4.993
85 HD2 PHE 13 HD1 PHE 13 1.735 4.320 -4.572
86 HE1 PHE 13 HE2 PHE 13 6.392 2.868 -3.950
87 HE2 PHE 13 HE1 PHE 13 3.366 5.837 -3.527
88 HZ PHE 13 HZ PHE 13 5.694 5.136 -3.246
89 H GLU 14 HN GLU 14 3.505 -0.123 -5.823
90 HA GLU 14 HA GLU 14 5.192 -1.603 -5.479
91 HB2 GLU 14 HB2 GLU 14 5.718 0.080 -3.692
92 HB3 GLU 14 HB3 GLU 14 4.837 -0.929 -2.554
93 HG2 GLU 14 HG2 GLU 14 6.412 -2.749 -2.943
94 HG3 GLU 14 HG3 GLU 14 7.290 -1.745 -4.094
95 H SER 15 HN SER 15 2.927 -2.854 -5.934
96 HA SER 15 HA SER 15 1.946 -4.582 -3.949
97 HB2 SER 15 HB2 SER 15 1.059 -5.915 -5.868
98 HB3 SER 15 HB3 SER 15 0.680 -4.195 -5.975
99 HG SER 15 HG SER 15 3.041 -4.738 -7.165
100 H ILE 16 HN ILE 16 2.274 -6.829 -3.648
101 HA ILE 16 HA ILE 16 5.002 -7.708 -4.326
102 HB ILE 16 HB ILE 16 3.233 -8.585 -2.036
103 HG12 ILE 16 HG12 ILE 16 5.806 -6.992 -1.991
104 HG13 ILE 16 HG13 ILE 16 4.198 -6.288 -1.838
105 HG21 ILE 16 HG21 ILE 16 5.259 -9.786 -1.254
106 HG22 ILE 16 HG22 ILE 16 4.601 -10.425 -2.760
107 HG23 ILE 16 HG23 ILE 16 6.035 -9.401 -2.791
108 HD11 ILE 16 HD11 ILE 16 5.419 -8.288 0.051
109 HD12 ILE 16 HD12 ILE 16 5.297 -6.550 0.324
110 HD13 ILE 16 HD13 ILE 16 3.834 -7.531 0.215
111 H ALA 17 HN ALA 17 1.654 -8.840 -3.964
112 HA ALA 17 HA ALA 17 2.079 -10.722 -6.137
113 HB1 ALA 17 HB1 ALA 17 2.682 -12.050 -4.205
114 HB2 ALA 17 HB2 ALA 17 1.163 -11.634 -3.411
115 HB3 ALA 17 HB3 ALA 17 1.153 -12.621 -4.875
116 H ASP 18 HN ASP 18 -0.556 -11.223 -3.938
117 HA ASP 18 HA ASP 18 -2.419 -9.381 -4.909
118 HB2 ASP 18 HB2 ASP 18 -3.769 -10.843 -6.396
119 HB3 ASP 18 HB3 ASP 18 -2.183 -10.468 -7.064
120 H ASN 19 HN ASN 19 -1.520 -11.068 -2.580
121 HA ASN 19 HA ASN 19 -4.204 -11.937 -1.750
122 HB2 ASN 19 HB2 ASN 19 -3.318 -13.854 -0.618
123 HB3 ASN 19 HB3 ASN 19 -2.693 -13.880 -2.264
124 HD21 ASN 19 HD21 ASN 19 -0.724 -11.822 -1.825
125 HD22 ASN 19 HD22 ASN 19 0.523 -12.524 -0.859
126 H ASN 20 HN ASN 20 -1.325 -10.215 -1.058
127 HA ASN 20 HA ASN 20 -2.292 -9.665 1.674
128 HB2 ASN 20 HB2 ASN 20 -0.122 -10.786 1.708
129 HB3 ASN 20 HB3 ASN 20 0.542 -9.569 0.622
130 HD21 ASN 20 HD21 ASN 20 0.454 -7.320 1.404
131 HD22 ASN 20 HD22 ASN 20 0.722 -7.032 3.084
132 H ASP 21 HN ASP 21 -0.164 -8.127 -0.738
133 HA ASP 21 HA ASP 21 -0.465 -5.512 0.059
134 HB2 ASP 21 HB2 ASP 21 0.235 -4.870 -2.190
135 HB3 ASP 21 HB3 ASP 21 1.160 -6.265 -1.644
136 H ASP 22 HN ASP 22 -2.559 -7.459 -1.983
137 HA ASP 22 HA ASP 22 -4.335 -5.251 -2.548
138 HB2 ASP 22 HB2 ASP 22 -4.345 -8.193 -3.181
139 HB3 ASP 22 HB3 ASP 22 -5.748 -7.181 -3.516
140 H SER 23 HN SER 23 -3.832 -5.969 0.249
141 HA SER 23 HA SER 23 -6.617 -6.364 1.043
142 HB2 SER 23 HB2 SER 23 -5.433 -8.567 1.186
143 HB3 SER 23 HB3 SER 23 -4.342 -7.849 2.370
144 HG SER 23 HG SER 23 -7.129 -8.282 2.595
145 H TYR 24 HN TYR 24 -3.316 -5.539 2.135
146 HA TYR 24 HA TYR 24 -4.565 -3.710 4.075
147 HB2 TYR 24 HB2 TYR 24 -3.137 -4.387 5.666
148 HB3 TYR 24 HB3 TYR 24 -2.886 -5.785 4.637
149 HD1 TYR 24 HD2 TYR 24 -0.927 -5.727 3.003
150 HD2 TYR 24 HD1 TYR 24 -1.356 -2.950 6.198
151 HE1 TYR 24 HE2 TYR 24 1.467 -5.191 2.850
152 HE2 TYR 24 HE1 TYR 24 1.038 -2.408 6.054
153 HH TYR 24 HH TYR 24 2.982 -3.341 3.439
154 H PHE 25 HN PHE 25 -2.797 -3.767 1.218
155 HA PHE 25 HA PHE 25 -1.309 -1.330 1.824
156 HB2 PHE 25 HB2 PHE 25 -0.786 -3.513 0.178
157 HB3 PHE 25 HB3 PHE 25 -1.165 -2.207 -0.939
158 HD1 PHE 25 HD2 PHE 25 0.022 0.083 -0.380
159 HD2 PHE 25 HD1 PHE 25 1.387 -3.744 0.886
160 HE1 PHE 25 HE2 PHE 25 2.292 0.990 -0.097
161 HE2 PHE 25 HE1 PHE 25 3.660 -2.844 1.171
162 HZ PHE 25 HZ PHE 25 4.120 -0.487 0.676
163 H GLN 26 HN GLN 26 -4.051 -2.411 -0.093
164 HA GLN 26 HA GLN 26 -4.661 0.413 -0.628
165 HB2 GLN 26 HB2 GLN 26 -5.521 -0.264 -2.879
166 HB3 GLN 26 HB3 GLN 26 -3.776 -0.369 -2.696
167 HG2 GLN 26 HG2 GLN 26 -3.991 -2.792 -2.326
168 HG3 GLN 26 HG3 GLN 26 -5.727 -2.657 -2.594
169 HE21 GLN 26 HE21 GLN 26 -3.368 -0.781 -4.342
170 HE22 GLN 26 HE22 GLN 26 -3.598 -1.549 -5.873
171 H ARG 27 HN ARG 27 -5.728 -2.647 0.408
172 HA ARG 27 HA ARG 27 -8.544 -1.969 0.036
173 HB2 ARG 27 HB2 ARG 27 -7.111 -4.475 0.861
174 HB3 ARG 27 HB3 ARG 27 -8.839 -4.292 1.131
175 HG2 ARG 27 HG2 ARG 27 -7.507 -4.033 -1.556
176 HG3 ARG 27 HG3 ARG 27 -8.258 -5.511 -0.948
177 HD2 ARG 27 HD2 ARG 27 -10.396 -4.334 -0.749
178 HD3 ARG 27 HD3 ARG 27 -9.645 -2.864 -1.366
179 HE ARG 27 HE ARG 27 -9.180 -4.803 -3.267
180 HH11 ARG 27 HH12 ARG 27 -11.970 -3.338 -1.775
181 HH12 ARG 27 HH11 ARG 27 -12.980 -3.538 -3.166
182 HH21 ARG 27 HH22 ARG 27 -10.502 -5.070 -5.105
183 HH22 ARG 27 HH21 ARG 27 -12.145 -4.524 -5.061
184 H LYS 28 HN LYS 28 -8.122 -0.137 1.555
185 HA LYS 28 HA LYS 28 -8.497 -1.042 4.334
186 HB2 LYS 28 HB2 LYS 28 -7.129 1.483 3.394
187 HB3 LYS 28 HB3 LYS 28 -7.398 1.031 5.075
188 HG2 LYS 28 HG2 LYS 28 -5.243 0.349 4.820
189 HG3 LYS 28 HG3 LYS 28 -6.074 -1.128 4.323
190 HD2 LYS 28 HD2 LYS 28 -4.553 -0.841 2.607
191 HD3 LYS 28 HD3 LYS 28 -5.994 -0.049 1.961
192 HE2 LYS 28 HE2 LYS 28 -3.973 1.289 1.588
193 HE3 LYS 28 HE3 LYS 28 -5.138 2.118 2.620
194 HZ1 LYS 28 HZ1 LYS 28 -3.848 1.456 4.551
195 HZ2 LYS 28 HZ2 LYS 28 -2.890 2.336 3.469
196 HZ3 LYS 28 HZ3 LYS 28 -2.732 0.654 3.563
197 HA PRO 29 HA PRO 29 -12.239 1.382 3.067
198 HB2 PRO 29 HB2 PRO 29 -13.756 -0.688 4.434
199 HB3 PRO 29 HB3 PRO 29 -13.830 -0.196 2.741
200 HG2 PRO 29 HG2 PRO 29 -12.838 -2.595 3.548
201 HG3 PRO 29 HG3 PRO 29 -12.291 -1.760 2.083
202 HD2 PRO 29 HD2 PRO 29 -10.994 -1.906 4.778
203 HD3 PRO 29 HD3 PRO 29 -10.256 -1.990 3.165
204 H LYS 30 HN LYS 30 -11.044 0.024 6.014
205 HA LYS 30 HA LYS 30 -12.666 1.915 7.586
206 HB2 LYS 30 HB2 LYS 30 -12.267 0.470 9.512
207 HB3 LYS 30 HB3 LYS 30 -12.998 -0.441 8.198
208 HG2 LYS 30 HG2 LYS 30 -10.799 -1.341 7.606
209 HG3 LYS 30 HG3 LYS 30 -10.078 -0.437 8.940
210 HD2 LYS 30 HD2 LYS 30 -11.541 -1.672 10.512
211 HD3 LYS 30 HD3 LYS 30 -12.148 -2.622 9.153
212 HE2 LYS 30 HE2 LYS 30 -9.271 -2.485 10.053
213 HE3 LYS 30 HE3 LYS 30 -10.389 -3.802 10.402
214 HZ1 LYS 30 HZ1 LYS 30 -8.801 -4.061 8.440
215 HZ2 LYS 30 HZ2 LYS 30 -9.822 -2.987 7.621
216 HZ3 LYS 30 HZ3 LYS 30 -10.426 -4.461 8.190
217 H LEU 31 HN LEU 31 -11.314 2.200 9.848
218 HA LEU 31 HA LEU 31 -8.912 3.618 9.002
219 HB2 LEU 31 HB2 LEU 31 -10.431 3.630 11.610
220 HB3 LEU 31 HB3 LEU 31 -8.994 4.585 11.300
221 HG LEU 31 HG LEU 31 -11.600 4.847 9.794
222 HD11 LEU 31 HD11 LEU 31 -10.390 6.556 11.960
223 HD12 LEU 31 HD12 LEU 31 -11.798 6.991 10.990
224 HD13 LEU 31 HD13 LEU 31 -11.867 5.599 12.071
225 HD21 LEU 31 HD21 LEU 31 -10.580 6.899 8.901
226 HD22 LEU 31 HD22 LEU 31 -9.071 6.489 9.717
227 HD23 LEU 31 HD23 LEU 31 -9.688 5.454 8.429
228 H THR 32 HN THR 32 -7.229 3.661 10.991
229 HA THR 32 HA THR 32 -6.087 1.047 11.001
230 HB THR 32 HB THR 32 -5.235 3.478 12.587
231 HG1 THR 32 HG1 THR 32 -3.685 3.612 10.790
232 HG21 THR 32 HG21 THR 32 -3.726 0.973 11.829
233 HG22 THR 32 HG22 THR 32 -4.280 1.399 13.447
234 HG23 THR 32 HG23 THR 32 -3.043 2.374 12.652
235 H GLU 33 HN GLU 33 -6.468 3.071 13.887
236 HA GLU 33 HA GLU 33 -7.070 2.593 16.023
237 HB2 GLU 33 HB2 GLU 33 -8.885 0.579 14.683
238 HB3 GLU 33 HB3 GLU 33 -9.016 1.116 16.352
239 HG2 GLU 33 HG2 GLU 33 -9.357 2.831 13.900
240 HG3 GLU 33 HG3 GLU 33 -10.642 2.235 14.949
241 H ALA 34 HN ALA 34 -7.629 -0.712 14.929
242 HA ALA 34 HA ALA 34 -5.086 -1.693 15.810
243 HB1 ALA 34 HB1 ALA 34 -5.876 -3.025 17.686
244 HB2 ALA 34 HB2 ALA 34 -6.156 -1.309 17.982
245 HB3 ALA 34 HB3 ALA 34 -7.495 -2.351 17.502
246 HA PRO 35 HA PRO 35 -7.141 -4.403 12.729
247 HB2 PRO 35 HB2 PRO 35 -4.885 -5.089 11.409
248 HB3 PRO 35 HB3 PRO 35 -5.731 -3.566 11.111
249 HG2 PRO 35 HG2 PRO 35 -3.310 -4.087 12.792
250 HG3 PRO 35 HG3 PRO 35 -3.613 -2.764 11.651
251 HD2 PRO 35 HD2 PRO 35 -3.895 -2.483 14.337
252 HD3 PRO 35 HD3 PRO 35 -4.878 -1.579 13.167
Start of MODEL 13
1 H1 GLU 1 H1 GLU 1 10.929 -0.685 15.684
2 H2 GLU 1 H2 GLU 1 12.607 -0.575 15.498
3 H3 GLU 1 H3 GLU 1 11.581 0.069 14.316
4 HA GLU 1 HA GLU 1 10.769 1.723 15.828
5 HB2 GLU 1 HB2 GLU 1 11.757 1.949 18.063
6 HB3 GLU 1 HB3 GLU 1 10.945 0.400 17.881
7 HG2 GLU 1 HG2 GLU 1 13.091 -0.693 17.520
8 HG3 GLU 1 HG3 GLU 1 13.912 0.858 17.676
9 H HIS 2 HN HIS 2 13.695 0.551 14.641
10 HA HIS 2 HA HIS 2 15.181 3.010 15.067
11 HB2 HIS 2 HB2 HIS 2 16.326 0.817 15.186
12 HB3 HIS 2 HB3 HIS 2 15.942 0.543 13.489
13 HD1 HIS 2 HD1 HIS 2 17.822 1.075 11.985
14 HD2 HIS 2 HD2 HIS 2 17.888 3.416 15.417
15 HE1 HIS 2 HE1 HIS 2 19.880 2.507 11.784
16 HE2 HIS 2 HE2 HIS 2 19.902 3.914 13.873
17 H LYS 3 HN LYS 3 14.492 1.082 12.143
18 HA LYS 3 HA LYS 3 14.752 3.424 10.481
19 HB2 LYS 3 HB2 LYS 3 13.958 0.590 9.786
20 HB3 LYS 3 HB3 LYS 3 14.286 1.865 8.619
21 HG2 LYS 3 HG2 LYS 3 16.593 2.007 9.434
22 HG3 LYS 3 HG3 LYS 3 16.259 0.708 10.580
23 HD2 LYS 3 HD2 LYS 3 15.942 0.430 7.594
24 HD3 LYS 3 HD3 LYS 3 17.411 -0.011 8.467
25 HE2 LYS 3 HE2 LYS 3 14.663 -1.166 8.938
26 HE3 LYS 3 HE3 LYS 3 15.974 -1.954 8.061
27 HZ1 LYS 3 HZ1 LYS 3 15.819 -2.739 10.344
28 HZ2 LYS 3 HZ2 LYS 3 16.051 -1.167 10.922
29 HZ3 LYS 3 HZ3 LYS 3 17.291 -1.948 10.078
30 H HIS 4 HN HIS 4 13.173 4.753 9.909
31 HA HIS 4 HA HIS 4 10.398 3.948 10.428
32 HB2 HIS 4 HB2 HIS 4 11.596 6.697 10.022
33 HB3 HIS 4 HB3 HIS 4 9.893 6.373 10.330
34 HD1 HIS 4 HD1 HIS 4 9.220 5.751 12.735
35 HD2 HIS 4 HD2 HIS 4 13.285 6.462 12.251
36 HE1 HIS 4 HE1 HIS 4 10.150 5.945 15.063
37 HE2 HIS 4 HE2 HIS 4 12.627 6.282 14.745
38 H SER 5 HN SER 5 12.586 5.054 7.943
39 HA SER 5 HA SER 5 12.436 5.154 5.682
40 HB2 SER 5 HB2 SER 5 10.025 3.370 6.093
41 HB3 SER 5 HB3 SER 5 10.845 3.645 4.556
42 HG SER 5 HG SER 5 12.668 2.927 6.348
43 H ASP 6 HN ASP 6 12.005 7.178 5.063
44 HA ASP 6 HA ASP 6 9.186 7.925 4.736
45 HB2 ASP 6 HB2 ASP 6 10.072 9.012 6.790
46 HB3 ASP 6 HB3 ASP 6 11.312 9.790 5.811
47 H GLU 7 HN GLU 7 9.061 7.861 2.568
48 HA GLU 7 HA GLU 7 10.400 9.883 1.049
49 HB2 GLU 7 HB2 GLU 7 12.177 8.206 1.077
50 HB3 GLU 7 HB3 GLU 7 11.059 6.985 0.486
51 HG2 GLU 7 HG2 GLU 7 10.799 8.233 -1.598
52 HG3 GLU 7 HG3 GLU 7 11.928 9.451 -1.005
53 H SER 8 HN SER 8 9.175 6.679 0.118
54 HA SER 8 HA SER 8 7.163 8.004 -1.550
55 HB2 SER 8 HB2 SER 8 8.658 6.371 -2.654
56 HB3 SER 8 HB3 SER 8 8.080 5.117 -1.559
57 HG SER 8 HG SER 8 6.167 6.547 -2.991
58 H THR 9 HN THR 9 7.382 6.883 1.476
59 HA THR 9 HA THR 9 5.977 6.056 3.057
60 HB THR 9 HB THR 9 3.758 6.947 3.075
61 HG1 THR 9 HG1 THR 9 2.662 7.194 1.283
62 HG21 THR 9 HG21 THR 9 4.183 9.321 2.626
63 HG22 THR 9 HG22 THR 9 5.621 8.885 1.702
64 HG23 THR 9 HG23 THR 9 5.555 8.562 3.434
65 H SER 10 HN SER 10 6.486 4.352 0.623
66 HA SER 10 HA SER 10 4.683 2.248 1.319
67 HB2 SER 10 HB2 SER 10 3.202 3.501 -0.175
68 HB3 SER 10 HB3 SER 10 4.430 3.467 -1.441
69 HG SER 10 HG SER 10 2.691 1.496 -0.602
70 H GLU 11 HN GLU 11 7.517 3.432 0.064
71 HA GLU 11 HA GLU 11 9.430 2.486 -0.721
72 HB2 GLU 11 HB2 GLU 11 8.128 -0.103 0.141
73 HB3 GLU 11 HB3 GLU 11 9.834 0.118 -0.224
74 HG2 GLU 11 HG2 GLU 11 8.341 1.479 2.007
75 HG3 GLU 11 HG3 GLU 11 9.389 0.071 2.181
76 H SEP 12 HN SER 12 6.672 2.366 -2.271
77 HA SEP 12 HA SER 12 5.931 1.730 -4.326
78 HB2 SEP 12 HB2 SER 12 8.911 1.776 -4.855
79 HB3 SEP 12 HB3 SER 12 7.681 1.672 -6.115
80 H PHE 13 HN PHE 13 5.323 -0.303 -3.145
81 HA PHE 13 HA PHE 13 4.932 -2.536 -3.262
82 HB2 PHE 13 HB2 PHE 13 5.959 -1.911 -5.839
83 HB3 PHE 13 HB3 PHE 13 6.696 -3.424 -5.321
84 HD1 PHE 13 HD2 PHE 13 5.299 -5.369 -4.796
85 HD2 PHE 13 HD1 PHE 13 3.645 -1.786 -6.390
86 HE1 PHE 13 HE2 PHE 13 3.255 -6.591 -5.411
87 HE2 PHE 13 HE1 PHE 13 1.597 -3.002 -7.008
88 HZ PHE 13 HZ PHE 13 1.400 -5.408 -6.519
89 H GLU 14 HN GLU 14 5.701 -4.089 -1.999
90 HA GLU 14 HA GLU 14 8.410 -4.921 -1.971
91 HB2 GLU 14 HB2 GLU 14 8.137 -2.661 -0.571
92 HB3 GLU 14 HB3 GLU 14 7.629 -3.800 0.671
93 HG2 GLU 14 HG2 GLU 14 9.750 -5.049 0.260
94 HG3 GLU 14 HG3 GLU 14 10.250 -3.717 -0.780
95 H SER 15 HN SER 15 5.549 -5.823 -2.077
96 HA SER 15 HA SER 15 5.750 -7.881 0.024
97 HB2 SER 15 HB2 SER 15 3.325 -7.842 0.295
98 HB3 SER 15 HB3 SER 15 3.988 -6.236 0.596
99 HG SER 15 HG SER 15 2.548 -7.168 -1.641
100 H ILE 16 HN ILE 16 3.818 -9.576 -0.590
101 HA ILE 16 HA ILE 16 4.689 -10.684 -3.128
102 HB ILE 16 HB ILE 16 2.630 -11.931 -1.330
103 HG12 ILE 16 HG12 ILE 16 4.425 -11.369 0.176
104 HG13 ILE 16 HG13 ILE 16 4.520 -13.091 -0.171
105 HG21 ILE 16 HG21 ILE 16 4.722 -13.071 -3.177
106 HG22 ILE 16 HG22 ILE 16 3.591 -14.014 -2.206
107 HG23 ILE 16 HG23 ILE 16 2.990 -12.967 -3.492
108 HD11 ILE 16 HD11 ILE 16 6.723 -12.130 -0.159
109 HD12 ILE 16 HD12 ILE 16 6.308 -12.630 -1.800
110 HD13 ILE 16 HD13 ILE 16 6.240 -10.924 -1.353
111 H ALA 17 HN ALA 17 2.002 -8.982 -1.824
112 HA ALA 17 HA ALA 17 0.072 -8.194 -2.715
113 HB1 ALA 17 HB1 ALA 17 1.546 -7.491 -4.559
114 HB2 ALA 17 HB2 ALA 17 1.233 -9.026 -5.369
115 HB3 ALA 17 HB3 ALA 17 -0.085 -7.884 -5.104
116 H ASP 18 HN ASP 18 -1.893 -8.832 -4.011
117 HA ASP 18 HA ASP 18 -3.593 -10.264 -4.440
118 HB2 ASP 18 HB2 ASP 18 -1.952 -11.299 -6.012
119 HB3 ASP 18 HB3 ASP 18 -1.469 -12.397 -4.723
120 H ASN 19 HN ASN 19 -1.874 -10.223 -1.769
121 HA ASN 19 HA ASN 19 -3.806 -11.612 -0.230
122 HB2 ASN 19 HB2 ASN 19 -2.349 -13.322 0.716
123 HB3 ASN 19 HB3 ASN 19 -2.507 -13.535 -1.022
124 HD21 ASN 19 HD21 ASN 19 -0.401 -12.403 1.536
125 HD22 ASN 19 HD22 ASN 19 1.071 -12.545 0.644
126 H ASN 20 HN ASN 20 -1.597 -9.249 -0.614
127 HA ASN 20 HA ASN 20 -1.646 -8.611 2.220
128 HB2 ASN 20 HB2 ASN 20 0.418 -9.894 2.029
129 HB3 ASN 20 HB3 ASN 20 0.960 -8.862 0.709
130 HD21 ASN 20 HD21 ASN 20 1.629 -6.770 1.145
131 HD22 ASN 20 HD22 ASN 20 2.027 -6.244 2.741
132 H ASP 21 HN ASP 21 -0.580 -7.633 -1.022
133 HA ASP 21 HA ASP 21 -0.180 -4.918 -0.514
134 HB2 ASP 21 HB2 ASP 21 -0.366 -4.572 -2.891
135 HB3 ASP 21 HB3 ASP 21 0.453 -6.108 -2.630
136 H ASP 22 HN ASP 22 -3.091 -6.762 -1.048
137 HA ASP 22 HA ASP 22 -4.792 -4.482 -1.395
138 HB2 ASP 22 HB2 ASP 22 -5.231 -7.424 -0.981
139 HB3 ASP 22 HB3 ASP 22 -6.589 -6.300 -0.911
140 H SER 23 HN SER 23 -3.024 -5.095 1.109
141 HA SER 23 HA SER 23 -5.126 -4.500 3.084
142 HB2 SER 23 HB2 SER 23 -3.992 -6.753 3.339
143 HB3 SER 23 HB3 SER 23 -2.505 -5.874 3.690
144 HG SER 23 HG SER 23 -3.208 -5.723 5.651
145 H TYR 24 HN TYR 24 -1.829 -3.837 1.985
146 HA TYR 24 HA TYR 24 -1.863 -1.429 3.696
147 HB2 TYR 24 HB2 TYR 24 0.363 -1.676 4.234
148 HB3 TYR 24 HB3 TYR 24 -0.132 -3.360 4.126
149 HD1 TYR 24 HD1 TYR 24 0.272 -4.549 1.863
150 HD2 TYR 24 HD2 TYR 24 2.169 -0.909 2.980
151 HE1 TYR 24 HE1 TYR 24 2.025 -4.955 0.189
152 HE2 TYR 24 HE2 TYR 24 3.928 -1.305 1.308
153 HH TYR 24 HH TYR 24 3.667 -3.699 -1.102
154 H PHE 25 HN PHE 25 -1.170 -2.750 0.534
155 HA PHE 25 HA PHE 25 -0.075 -0.282 -0.492
156 HB2 PHE 25 HB2 PHE 25 0.411 -2.715 -1.272
157 HB3 PHE 25 HB3 PHE 25 -1.062 -2.537 -2.207
158 HD1 PHE 25 HD1 PHE 25 2.087 -0.657 -1.530
159 HD2 PHE 25 HD2 PHE 25 -0.856 -1.823 -4.373
160 HE1 PHE 25 HE1 PHE 25 3.355 0.480 -3.302
161 HE2 PHE 25 HE2 PHE 25 0.407 -0.688 -6.152
162 HZ PHE 25 HZ PHE 25 2.515 0.450 -5.630
163 H GLN 26 HN GLN 26 -3.139 -1.973 -0.494
164 HA GLN 26 HA GLN 26 -4.313 0.279 -1.960
165 HB2 GLN 26 HB2 GLN 26 -5.213 -2.600 -1.839
166 HB3 GLN 26 HB3 GLN 26 -6.139 -1.308 -2.587
167 HG2 GLN 26 HG2 GLN 26 -4.253 -0.904 -4.132
168 HG3 GLN 26 HG3 GLN 26 -3.422 -2.288 -3.425
169 HE21 GLN 26 HE21 GLN 26 -4.196 -4.364 -3.822
170 HE22 GLN 26 HE22 GLN 26 -5.299 -4.701 -5.107
171 H ARG 27 HN ARG 27 -4.526 -1.786 0.840
172 HA ARG 27 HA ARG 27 -5.740 -1.714 2.747
173 HB2 ARG 27 HB2 ARG 27 -4.724 0.693 2.510
174 HB3 ARG 27 HB3 ARG 27 -6.400 1.157 2.242
175 HG2 ARG 27 HG2 ARG 27 -7.010 0.130 4.383
176 HG3 ARG 27 HG3 ARG 27 -5.315 -0.278 4.649
177 HD2 ARG 27 HD2 ARG 27 -5.872 1.740 5.861
178 HD3 ARG 27 HD3 ARG 27 -4.748 2.116 4.557
179 HE ARG 27 HE ARG 27 -7.077 2.635 3.383
180 HH11 ARG 27 HH12 ARG 27 -5.900 3.503 6.546
181 HH12 ARG 27 HH11 ARG 27 -6.817 4.970 6.624
182 HH21 ARG 27 HH22 ARG 27 -8.279 4.566 3.474
183 HH22 ARG 27 HH21 ARG 27 -8.170 5.574 4.878
184 H LYS 28 HN LYS 28 -7.491 -2.974 2.393
185 HA LYS 28 HA LYS 28 -9.954 -1.596 1.570
186 HB2 LYS 28 HB2 LYS 28 -8.739 -4.047 0.448
187 HB3 LYS 28 HB3 LYS 28 -10.470 -4.127 0.749
188 HG2 LYS 28 HG2 LYS 28 -10.261 -3.425 -1.470
189 HG3 LYS 28 HG3 LYS 28 -10.639 -1.959 -0.566
190 HD2 LYS 28 HD2 LYS 28 -8.263 -1.371 -0.534
191 HD3 LYS 28 HD3 LYS 28 -7.891 -2.836 -1.442
192 HE2 LYS 28 HE2 LYS 28 -7.963 -0.903 -2.920
193 HE3 LYS 28 HE3 LYS 28 -9.268 -2.028 -3.300
194 HZ1 LYS 28 HZ1 LYS 28 -10.786 -0.617 -2.039
195 HZ2 LYS 28 HZ2 LYS 28 -10.059 0.246 -3.299
196 HZ3 LYS 28 HZ3 LYS 28 -9.531 0.468 -1.709
197 HA PRO 29 HA PRO 29 -10.360 -3.565 5.801
198 HB2 PRO 29 HB2 PRO 29 -12.068 -1.156 6.103
199 HB3 PRO 29 HB3 PRO 29 -10.847 -1.815 7.198
200 HG2 PRO 29 HG2 PRO 29 -10.355 0.385 5.782
201 HG3 PRO 29 HG3 PRO 29 -9.091 -0.834 6.038
202 HD2 PRO 29 HD2 PRO 29 -10.777 -0.331 3.615
203 HD3 PRO 29 HD3 PRO 29 -9.049 -0.729 3.724
204 H LYS 30 HN LYS 30 -12.615 -2.265 3.455
205 HA LYS 30 HA LYS 30 -14.694 -4.081 4.483
206 HB2 LYS 30 HB2 LYS 30 -16.333 -2.629 3.386
207 HB3 LYS 30 HB3 LYS 30 -15.364 -1.733 4.547
208 HG2 LYS 30 HG2 LYS 30 -13.980 -0.883 2.691
209 HG3 LYS 30 HG3 LYS 30 -15.033 -1.725 1.554
210 HD2 LYS 30 HD2 LYS 30 -16.111 0.260 3.536
211 HD3 LYS 30 HD3 LYS 30 -15.471 0.766 1.973
212 HE2 LYS 30 HE2 LYS 30 -17.826 0.534 1.730
213 HE3 LYS 30 HE3 LYS 30 -17.078 -0.828 0.899
214 HZ1 LYS 30 HZ1 LYS 30 -17.642 -2.266 2.678
215 HZ2 LYS 30 HZ2 LYS 30 -19.041 -1.394 2.302
216 HZ3 LYS 30 HZ3 LYS 30 -18.131 -0.984 3.668
217 H LEU 31 HN LEU 31 -16.340 -4.487 2.502
218 HA LEU 31 HA LEU 31 -15.026 -6.283 0.795
219 HB2 LEU 31 HB2 LEU 31 -17.754 -5.027 0.487
220 HB3 LEU 31 HB3 LEU 31 -17.183 -6.433 -0.389
221 HG LEU 31 HG LEU 31 -17.558 -6.294 2.604
222 HD11 LEU 31 HD11 LEU 31 -19.685 -6.210 1.417
223 HD12 LEU 31 HD12 LEU 31 -19.231 -7.637 0.487
224 HD13 LEU 31 HD13 LEU 31 -19.472 -7.762 2.230
225 HD21 LEU 31 HD21 LEU 31 -17.220 -8.719 2.522
226 HD22 LEU 31 HD22 LEU 31 -16.885 -8.612 0.794
227 HD23 LEU 31 HD23 LEU 31 -15.798 -7.846 1.953
228 H THR 32 HN THR 32 -14.982 -6.238 -1.569
229 HA THR 32 HA THR 32 -14.173 -3.587 -2.525
230 HB THR 32 HB THR 32 -13.046 -4.790 -4.360
231 HG1 THR 32 HG1 THR 32 -12.918 -7.226 -3.728
232 HG21 THR 32 HG21 THR 32 -12.356 -5.857 -1.620
233 HG22 THR 32 HG22 THR 32 -11.822 -4.315 -2.289
234 HG23 THR 32 HG23 THR 32 -11.283 -5.828 -3.019
235 H GLU 33 HN GLU 33 -15.368 -2.498 -3.929
236 HA GLU 33 HA GLU 33 -16.946 -1.947 -5.464
237 HB2 GLU 33 HB2 GLU 33 -16.637 -4.840 -6.281
238 HB3 GLU 33 HB3 GLU 33 -17.516 -3.629 -7.202
239 HG2 GLU 33 HG2 GLU 33 -15.469 -2.346 -7.496
240 HG3 GLU 33 HG3 GLU 33 -14.580 -3.536 -6.545
241 H ALA 34 HN ALA 34 -17.526 -3.854 -2.911
242 HA ALA 34 HA ALA 34 -19.368 -4.579 -1.790
243 HB1 ALA 34 HB1 ALA 34 -19.937 -2.204 -1.980
244 HB2 ALA 34 HB2 ALA 34 -20.766 -2.528 -3.503
245 HB3 ALA 34 HB3 ALA 34 -21.376 -3.223 -2.001
246 HA PRO 35 HA PRO 35 -20.558 -7.519 -5.163
247 HB2 PRO 35 HB2 PRO 35 -20.644 -9.674 -3.461
248 HB3 PRO 35 HB3 PRO 35 -19.197 -9.157 -4.333
249 HG2 PRO 35 HG2 PRO 35 -20.000 -8.613 -1.504
250 HG3 PRO 35 HG3 PRO 35 -18.405 -9.034 -2.155
251 HD2 PRO 35 HD2 PRO 35 -19.039 -6.507 -1.505
252 HD3 PRO 35 HD3 PRO 35 -17.997 -6.877 -2.895
Start of MODEL 14
1 H1 GLU 1 H1 GLU 1 14.414 0.639 -11.164
2 H2 GLU 1 H2 GLU 1 14.901 -0.353 -9.885
3 H3 GLU 1 H3 GLU 1 15.988 0.756 -10.554
4 HA GLU 1 HA GLU 1 14.608 2.592 -9.809
5 HB2 GLU 1 HB2 GLU 1 13.015 0.391 -8.475
6 HB3 GLU 1 HB3 GLU 1 12.785 2.114 -8.209
7 HG2 GLU 1 HG2 GLU 1 12.403 0.672 -10.825
8 HG3 GLU 1 HG3 GLU 1 11.120 1.200 -9.737
9 H HIS 2 HN HIS 2 16.166 3.417 -8.596
10 HA HIS 2 HA HIS 2 16.704 2.231 -5.984
11 HB2 HIS 2 HB2 HIS 2 18.426 1.303 -7.482
12 HB3 HIS 2 HB3 HIS 2 18.890 2.934 -7.954
13 HD1 HIS 2 HD1 HIS 2 19.348 0.403 -5.293
14 HD2 HIS 2 HD2 HIS 2 20.276 4.402 -5.940
15 HE1 HIS 2 HE1 HIS 2 21.045 0.994 -3.536
16 HE2 HIS 2 HE2 HIS 2 21.616 3.409 -3.964
17 H LYS 3 HN LYS 3 15.858 3.921 -4.862
18 HA LYS 3 HA LYS 3 17.275 6.478 -5.104
19 HB2 LYS 3 HB2 LYS 3 14.277 6.190 -4.848
20 HB3 LYS 3 HB3 LYS 3 15.165 7.707 -4.819
21 HG2 LYS 3 HG2 LYS 3 15.869 7.387 -7.104
22 HG3 LYS 3 HG3 LYS 3 15.097 5.800 -7.146
23 HD2 LYS 3 HD2 LYS 3 12.920 6.876 -6.752
24 HD3 LYS 3 HD3 LYS 3 13.709 8.454 -6.776
25 HE2 LYS 3 HE2 LYS 3 14.459 8.013 -9.082
26 HE3 LYS 3 HE3 LYS 3 13.602 6.473 -9.048
27 HZ1 LYS 3 HZ1 LYS 3 12.342 9.145 -8.736
28 HZ2 LYS 3 HZ2 LYS 3 11.529 7.662 -8.742
29 HZ3 LYS 3 HZ3 LYS 3 12.309 8.204 -10.142
30 H HIS 4 HN HIS 4 14.826 4.767 -3.156
31 HA HIS 4 HA HIS 4 14.539 4.537 -0.913
32 HB2 HIS 4 HB2 HIS 4 17.530 4.993 -0.871
33 HB3 HIS 4 HB3 HIS 4 16.580 4.380 0.479
34 HD1 HIS 4 HD1 HIS 4 18.492 3.275 -2.380
35 HD2 HIS 4 HD2 HIS 4 15.279 1.809 -0.191
36 HE1 HIS 4 HE1 HIS 4 18.372 0.822 -2.923
37 HE2 HIS 4 HE2 HIS 4 16.424 -0.048 -1.583
38 H SER 5 HN SER 5 14.746 7.309 -2.268
39 HA SER 5 HA SER 5 14.291 8.798 0.165
40 HB2 SER 5 HB2 SER 5 16.738 9.010 -0.130
41 HB3 SER 5 HB3 SER 5 16.475 9.673 -1.743
42 HG SER 5 HG SER 5 15.546 10.803 0.690
43 H ASP 6 HN ASP 6 13.200 7.946 -2.641
44 HA ASP 6 HA ASP 6 12.660 10.248 -4.131
45 HB2 ASP 6 HB2 ASP 6 10.701 8.930 -5.015
46 HB3 ASP 6 HB3 ASP 6 12.254 8.107 -5.114
47 H GLU 7 HN GLU 7 10.594 8.626 -1.714
48 HA GLU 7 HA GLU 7 9.662 11.075 -0.623
49 HB2 GLU 7 HB2 GLU 7 8.373 11.187 -2.693
50 HB3 GLU 7 HB3 GLU 7 7.744 9.568 -2.412
51 HG2 GLU 7 HG2 GLU 7 6.561 10.342 -0.443
52 HG3 GLU 7 HG3 GLU 7 7.238 11.957 -0.652
53 H SER 8 HN SER 8 8.005 7.990 -1.243
54 HA SER 8 HA SER 8 7.945 7.539 1.664
55 HB2 SER 8 HB2 SER 8 5.718 7.758 0.643
56 HB3 SER 8 HB3 SER 8 6.104 6.461 -0.488
57 HG SER 8 HG SER 8 5.638 6.328 2.282
58 H THR 9 HN THR 9 9.732 6.758 -0.860
59 HA THR 9 HA THR 9 11.089 5.041 -1.464
60 HB THR 9 HB THR 9 10.621 4.164 1.393
61 HG1 THR 9 HG1 THR 9 13.027 5.268 0.895
62 HG21 THR 9 HG21 THR 9 12.806 3.416 -0.555
63 HG22 THR 9 HG22 THR 9 11.538 2.346 0.049
64 HG23 THR 9 HG23 THR 9 12.764 2.974 1.152
65 H SER 10 HN SER 10 9.788 4.079 -2.999
66 HA SER 10 HA SER 10 8.502 2.494 -3.997
67 HB2 SER 10 HB2 SER 10 8.833 0.232 -3.326
68 HB3 SER 10 HB3 SER 10 10.337 1.074 -2.959
69 HG SER 10 HG SER 10 10.005 0.785 -0.888
70 H GLU 11 HN GLU 11 7.400 4.223 -1.748
71 HA GLU 11 HA GLU 11 5.435 4.540 -0.659
72 HB2 GLU 11 HB2 GLU 11 4.576 2.619 -2.807
73 HB3 GLU 11 HB3 GLU 11 3.434 3.316 -1.667
74 HG2 GLU 11 HG2 GLU 11 3.436 4.559 -3.738
75 HG3 GLU 11 HG3 GLU 11 4.047 5.557 -2.421
76 H SEP 12 HN SER 12 4.253 1.378 -1.294
77 HA SEP 12 HA SER 12 5.188 0.283 1.223
78 HB2 SEP 12 HB2 SER 12 3.193 1.649 1.831
79 HB3 SEP 12 HB3 SER 12 2.224 0.669 0.733
80 H PHE 13 HN PHE 13 5.222 -0.274 -1.727
81 HA PHE 13 HA PHE 13 3.813 -2.839 -1.836
82 HB2 PHE 13 HB2 PHE 13 3.775 -0.973 -3.691
83 HB3 PHE 13 HB3 PHE 13 5.330 -1.659 -4.142
84 HD1 PHE 13 HD1 PHE 13 1.938 -2.944 -3.231
85 HD2 PHE 13 HD2 PHE 13 5.264 -3.141 -5.879
86 HE1 PHE 13 HE1 PHE 13 0.785 -4.674 -4.546
87 HE2 PHE 13 HE2 PHE 13 4.118 -4.871 -7.196
88 HZ PHE 13 HZ PHE 13 1.874 -5.640 -6.532
89 H GLU 14 HN GLU 14 5.926 -3.510 -4.010
90 HA GLU 14 HA GLU 14 7.809 -4.773 -4.157
91 HB2 GLU 14 HB2 GLU 14 8.637 -2.526 -3.063
92 HB3 GLU 14 HB3 GLU 14 8.874 -3.543 -1.648
93 HG2 GLU 14 HG2 GLU 14 10.286 -5.038 -3.019
94 HG3 GLU 14 HG3 GLU 14 10.122 -3.902 -4.356
95 H SER 15 HN SER 15 5.517 -5.400 -2.189
96 HA SER 15 HA SER 15 6.943 -7.356 -0.518
97 HB2 SER 15 HB2 SER 15 4.095 -6.371 -0.227
98 HB3 SER 15 HB3 SER 15 4.990 -7.368 0.919
99 HG SER 15 HG SER 15 4.963 -4.687 0.655
100 H ILE 16 HN ILE 16 5.003 -9.159 0.021
101 HA ILE 16 HA ILE 16 5.045 -10.904 -2.143
102 HB ILE 16 HB ILE 16 3.015 -10.867 0.097
103 HG12 ILE 16 HG12 ILE 16 5.612 -12.410 -0.057
104 HG13 ILE 16 HG13 ILE 16 5.430 -10.896 0.822
105 HG21 ILE 16 HG21 ILE 16 2.811 -13.272 -0.357
106 HG22 ILE 16 HG22 ILE 16 2.336 -12.293 -1.746
107 HG23 ILE 16 HG23 ILE 16 3.907 -13.095 -1.728
108 HD11 ILE 16 HD11 ILE 16 3.989 -13.476 1.378
109 HD12 ILE 16 HD12 ILE 16 5.275 -12.749 2.342
110 HD13 ILE 16 HD13 ILE 16 3.705 -11.954 2.222
111 H ALA 17 HN ALA 17 2.258 -9.052 -0.918
112 HA ALA 17 HA ALA 17 0.367 -8.285 -1.908
113 HB1 ALA 17 HB1 ALA 17 0.512 -7.506 -4.210
114 HB2 ALA 17 HB2 ALA 17 1.941 -7.037 -3.289
115 HB3 ALA 17 HB3 ALA 17 2.026 -8.386 -4.422
116 H ASP 18 HN ASP 18 -1.042 -8.729 -4.080
117 HA ASP 18 HA ASP 18 -2.419 -10.174 -5.157
118 HB2 ASP 18 HB2 ASP 18 -0.199 -12.191 -4.751
119 HB3 ASP 18 HB3 ASP 18 -1.568 -12.374 -5.844
120 H ASN 19 HN ASN 19 -1.691 -10.269 -2.061
121 HA ASN 19 HA ASN 19 -4.020 -11.588 -1.239
122 HB2 ASN 19 HB2 ASN 19 -3.101 -13.531 -0.150
123 HB3 ASN 19 HB3 ASN 19 -2.658 -13.579 -1.850
124 HD21 ASN 19 HD21 ASN 19 -0.527 -13.298 -2.445
125 HD22 ASN 19 HD22 ASN 19 0.772 -13.377 -1.309
126 H ASN 20 HN ASN 20 -1.357 -9.667 -0.809
127 HA ASN 20 HA ASN 20 -1.944 -9.320 2.060
128 HB2 ASN 20 HB2 ASN 20 0.368 -10.308 1.416
129 HB3 ASN 20 HB3 ASN 20 0.743 -8.681 0.867
130 HD21 ASN 20 HD21 ASN 20 -0.900 -7.439 2.938
131 HD22 ASN 20 HD22 ASN 20 -0.002 -7.587 4.406
132 H ASP 21 HN ASP 21 -0.255 -7.618 -0.572
133 HA ASP 21 HA ASP 21 -0.607 -5.042 0.389
134 HB2 ASP 21 HB2 ASP 21 -0.243 -6.090 -2.412
135 HB3 ASP 21 HB3 ASP 21 -0.284 -4.368 -2.045
136 H ASP 22 HN ASP 22 -2.964 -7.128 -0.930
137 HA ASP 22 HA ASP 22 -4.712 -5.337 -2.168
138 HB2 ASP 22 HB2 ASP 22 -4.795 -7.911 -2.027
139 HB3 ASP 22 HB3 ASP 22 -5.653 -7.665 -0.510
140 H SER 23 HN SER 23 -3.887 -5.733 1.130
141 HA SER 23 HA SER 23 -5.777 -3.642 1.891
142 HB2 SER 23 HB2 SER 23 -6.753 -5.952 2.395
143 HB3 SER 23 HB3 SER 23 -5.468 -6.123 3.585
144 HG SER 23 HG SER 23 -6.746 -5.072 4.865
145 H TYR 24 HN TYR 24 -2.747 -4.479 1.635
146 HA TYR 24 HA TYR 24 -1.897 -3.393 4.233
147 HB2 TYR 24 HB2 TYR 24 -0.967 -5.513 4.147
148 HB3 TYR 24 HB3 TYR 24 -0.764 -5.467 2.403
149 HD1 TYR 24 HD1 TYR 24 0.504 -3.371 5.250
150 HD2 TYR 24 HD2 TYR 24 1.406 -5.673 1.791
151 HE1 TYR 24 HE1 TYR 24 2.893 -2.867 5.542
152 HE2 TYR 24 HE2 TYR 24 3.787 -5.181 2.068
153 HH TYR 24 HH TYR 24 5.200 -3.449 3.135
154 H PHE 25 HN PHE 25 -1.616 -3.191 0.758
155 HA PHE 25 HA PHE 25 0.038 -0.771 1.028
156 HB2 PHE 25 HB2 PHE 25 1.264 -2.190 -0.353
157 HB3 PHE 25 HB3 PHE 25 -0.173 -2.863 -1.106
158 HD1 PHE 25 HD1 PHE 25 1.910 0.201 -0.936
159 HD2 PHE 25 HD2 PHE 25 -0.934 -2.059 -3.148
160 HE1 PHE 25 HE1 PHE 25 2.205 1.715 -2.853
161 HE2 PHE 25 HE2 PHE 25 -0.646 -0.550 -5.070
162 HZ PHE 25 HZ PHE 25 0.925 1.341 -4.924
163 H GLN 26 HN GLN 26 -2.986 -2.057 0.015
164 HA GLN 26 HA GLN 26 -3.738 0.518 -1.195
165 HB2 GLN 26 HB2 GLN 26 -4.981 -2.219 -1.511
166 HB3 GLN 26 HB3 GLN 26 -5.620 -0.744 -2.224
167 HG2 GLN 26 HG2 GLN 26 -3.618 -0.478 -3.550
168 HG3 GLN 26 HG3 GLN 26 -2.896 -1.891 -2.783
169 HE21 GLN 26 HE21 GLN 26 -5.398 -3.378 -2.770
170 HE22 GLN 26 HE22 GLN 26 -5.667 -3.885 -4.399
171 H ARG 27 HN ARG 27 -5.070 -2.092 0.840
172 HA ARG 27 HA ARG 27 -6.633 -2.093 2.487
173 HB2 ARG 27 HB2 ARG 27 -4.709 -0.457 3.280
174 HB3 ARG 27 HB3 ARG 27 -5.990 0.741 3.154
175 HG2 ARG 27 HG2 ARG 27 -7.364 -0.558 4.691
176 HG3 ARG 27 HG3 ARG 27 -6.087 -1.769 4.807
177 HD2 ARG 27 HD2 ARG 27 -5.868 1.127 5.625
178 HD3 ARG 27 HD3 ARG 27 -6.042 -0.245 6.718
179 HE ARG 27 HE ARG 27 -3.807 -0.744 5.164
180 HH11 ARG 27 HH12 ARG 27 -4.849 1.649 7.473
181 HH12 ARG 27 HH11 ARG 27 -3.246 1.987 8.036
182 HH21 ARG 27 HH22 ARG 27 -1.695 -0.304 5.898
183 HH22 ARG 27 HH21 ARG 27 -1.453 0.877 7.141
184 H LYS 28 HN LYS 28 -8.498 -2.194 1.232
185 HA LYS 28 HA LYS 28 -9.980 0.339 1.029
186 HB2 LYS 28 HB2 LYS 28 -9.560 -1.768 -1.042
187 HB3 LYS 28 HB3 LYS 28 -11.113 -0.944 -0.994
188 HG2 LYS 28 HG2 LYS 28 -9.847 0.260 -2.537
189 HG3 LYS 28 HG3 LYS 28 -9.775 1.224 -1.060
190 HD2 LYS 28 HD2 LYS 28 -7.584 0.253 -0.546
191 HD3 LYS 28 HD3 LYS 28 -7.660 -0.696 -2.031
192 HE2 LYS 28 HE2 LYS 28 -7.651 2.316 -1.842
193 HE3 LYS 28 HE3 LYS 28 -6.287 1.306 -2.319
194 HZ1 LYS 28 HZ1 LYS 28 -7.546 0.558 -4.233
195 HZ2 LYS 28 HZ2 LYS 28 -7.427 2.245 -4.236
196 HZ3 LYS 28 HZ3 LYS 28 -8.871 1.500 -3.768
197 HA PRO 29 HA PRO 29 -12.398 -2.686 3.570
198 HB2 PRO 29 HB2 PRO 29 -13.184 -0.231 4.990
199 HB3 PRO 29 HB3 PRO 29 -12.486 -1.722 5.632
200 HG2 PRO 29 HG2 PRO 29 -11.062 0.547 5.517
201 HG3 PRO 29 HG3 PRO 29 -10.312 -1.035 5.227
202 HD2 PRO 29 HD2 PRO 29 -11.211 1.024 3.237
203 HD3 PRO 29 HD3 PRO 29 -9.707 0.074 3.274
204 H LYS 30 HN LYS 30 -13.437 0.624 2.732
205 HA LYS 30 HA LYS 30 -16.189 -0.145 2.474
206 HB2 LYS 30 HB2 LYS 30 -14.845 2.389 1.518
207 HB3 LYS 30 HB3 LYS 30 -16.567 2.145 1.770
208 HG2 LYS 30 HG2 LYS 30 -14.477 2.055 3.937
209 HG3 LYS 30 HG3 LYS 30 -15.499 3.444 3.567
210 HD2 LYS 30 HD2 LYS 30 -17.491 2.105 4.072
211 HD3 LYS 30 HD3 LYS 30 -16.461 0.723 4.452
212 HE2 LYS 30 HE2 LYS 30 -16.470 3.378 5.884
213 HE3 LYS 30 HE3 LYS 30 -17.182 1.880 6.480
214 HZ1 LYS 30 HZ1 LYS 30 -14.994 0.882 6.524
215 HZ2 LYS 30 HZ2 LYS 30 -14.995 2.303 7.442
216 HZ3 LYS 30 HZ3 LYS 30 -14.297 2.293 5.902
217 H LEU 31 HN LEU 31 -17.239 -0.833 0.710
218 HA LEU 31 HA LEU 31 -15.733 -0.948 -1.814
219 HB2 LEU 31 HB2 LEU 31 -18.040 -2.639 -0.850
220 HB3 LEU 31 HB3 LEU 31 -17.277 -2.790 -2.420
221 HG LEU 31 HG LEU 31 -15.913 -3.271 0.232
222 HD11 LEU 31 HD11 LEU 31 -17.569 -4.986 -0.269
223 HD12 LEU 31 HD12 LEU 31 -16.864 -5.214 -1.869
224 HD13 LEU 31 HD13 LEU 31 -15.932 -5.624 -0.429
225 HD21 LEU 31 HD21 LEU 31 -14.363 -2.459 -1.453
226 HD22 LEU 31 HD22 LEU 31 -14.089 -4.172 -1.140
227 HD23 LEU 31 HD23 LEU 31 -14.945 -3.667 -2.598
228 H THR 32 HN THR 32 -19.008 -0.422 -0.533
229 HA THR 32 HA THR 32 -19.474 1.619 -2.535
230 HB THR 32 HB THR 32 -20.183 -0.371 -3.754
231 HG1 THR 32 HG1 THR 32 -21.642 0.998 -4.437
232 HG21 THR 32 HG21 THR 32 -20.669 -1.823 -1.841
233 HG22 THR 32 HG22 THR 32 -22.035 -1.755 -2.954
234 HG23 THR 32 HG23 THR 32 -22.077 -0.837 -1.449
235 H GLU 33 HN GLU 33 -19.717 0.515 0.520
236 HA GLU 33 HA GLU 33 -22.294 1.432 1.304
237 HB2 GLU 33 HB2 GLU 33 -19.808 1.060 2.987
238 HB3 GLU 33 HB3 GLU 33 -21.451 1.216 3.593
239 HG2 GLU 33 HG2 GLU 33 -22.069 -0.871 2.518
240 HG3 GLU 33 HG3 GLU 33 -20.443 -1.021 1.850
241 H ALA 34 HN ALA 34 -19.561 3.067 0.307
242 HA ALA 34 HA ALA 34 -20.513 5.548 1.564
243 HB1 ALA 34 HB1 ALA 34 -18.510 4.798 2.754
244 HB2 ALA 34 HB2 ALA 34 -17.618 4.770 1.233
245 HB3 ALA 34 HB3 ALA 34 -18.215 6.299 1.877
246 HA PRO 35 HA PRO 35 -20.371 7.184 -2.545
247 HB2 PRO 35 HB2 PRO 35 -20.054 9.822 -2.068
248 HB3 PRO 35 HB3 PRO 35 -21.557 8.971 -1.695
249 HG2 PRO 35 HG2 PRO 35 -19.313 9.742 0.132
250 HG3 PRO 35 HG3 PRO 35 -21.062 9.867 0.395
251 HD2 PRO 35 HD2 PRO 35 -19.547 7.851 1.416
252 HD3 PRO 35 HD3 PRO 35 -21.258 7.654 0.983
Start of MODEL 15
1 H1 GLU 1 H1 GLU 1 18.354 4.905 15.738
2 H2 GLU 1 H2 GLU 1 18.749 3.577 16.709
3 H3 GLU 1 H3 GLU 1 17.315 3.571 15.810
4 HA GLU 1 HA GLU 1 20.051 3.600 14.678
5 HB2 GLU 1 HB2 GLU 1 18.000 1.377 14.807
6 HB3 GLU 1 HB3 GLU 1 19.540 1.293 13.962
7 HG2 GLU 1 HG2 GLU 1 20.728 1.533 16.070
8 HG3 GLU 1 HG3 GLU 1 19.194 1.663 16.930
9 H HIS 2 HN HIS 2 16.835 4.457 14.310
10 HA HIS 2 HA HIS 2 16.702 4.000 11.447
11 HB2 HIS 2 HB2 HIS 2 14.687 3.748 12.863
12 HB3 HIS 2 HB3 HIS 2 14.776 5.458 13.269
13 HD1 HIS 2 HD1 HIS 2 14.038 7.147 11.461
14 HD2 HIS 2 HD2 HIS 2 13.711 3.170 10.302
15 HE1 HIS 2 HE1 HIS 2 12.659 7.171 9.358
16 HE2 HIS 2 HE2 HIS 2 12.547 4.761 8.629
17 H LYS 3 HN LYS 3 17.169 5.439 9.909
18 HA LYS 3 HA LYS 3 17.247 8.282 10.510
19 HB2 LYS 3 HB2 LYS 3 19.525 8.548 9.592
20 HB3 LYS 3 HB3 LYS 3 19.506 7.603 11.074
21 HG2 LYS 3 HG2 LYS 3 19.613 5.541 9.693
22 HG3 LYS 3 HG3 LYS 3 19.790 6.561 8.265
23 HD2 LYS 3 HD2 LYS 3 21.644 6.808 10.615
24 HD3 LYS 3 HD3 LYS 3 21.919 5.615 9.345
25 HE2 LYS 3 HE2 LYS 3 23.208 7.540 8.801
26 HE3 LYS 3 HE3 LYS 3 21.841 7.494 7.690
27 HZ1 LYS 3 HZ1 LYS 3 20.758 9.204 8.891
28 HZ2 LYS 3 HZ2 LYS 3 22.352 9.720 8.662
29 HZ3 LYS 3 HZ3 LYS 3 21.865 9.122 10.167
30 H HIS 4 HN HIS 4 17.713 5.710 8.127
31 HA HIS 4 HA HIS 4 15.970 6.939 6.257
32 HB2 HIS 4 HB2 HIS 4 17.946 8.390 5.928
33 HB3 HIS 4 HB3 HIS 4 18.912 6.970 5.544
34 HD1 HIS 4 HD1 HIS 4 16.363 9.276 4.117
35 HD2 HIS 4 HD2 HIS 4 18.436 5.852 3.001
36 HE1 HIS 4 HE1 HIS 4 15.991 9.043 1.641
37 HE2 HIS 4 HE2 HIS 4 17.212 6.935 0.997
38 H SER 5 HN SER 5 15.244 5.470 4.791
39 HA SER 5 HA SER 5 16.721 2.934 4.566
40 HB2 SER 5 HB2 SER 5 14.852 2.601 6.114
41 HB3 SER 5 HB3 SER 5 13.727 3.237 4.913
42 HG SER 5 HG SER 5 14.336 0.769 5.201
43 H ASP 6 HN ASP 6 14.058 4.846 3.172
44 HA ASP 6 HA ASP 6 15.132 4.320 0.510
45 HB2 ASP 6 HB2 ASP 6 12.263 3.736 1.276
46 HB3 ASP 6 HB3 ASP 6 12.895 3.720 -0.368
47 H GLU 7 HN GLU 7 12.025 5.615 1.650
48 HA GLU 7 HA GLU 7 12.690 8.341 1.454
49 HB2 GLU 7 HB2 GLU 7 12.898 7.843 -0.952
50 HB3 GLU 7 HB3 GLU 7 11.254 7.222 -0.965
51 HG2 GLU 7 HG2 GLU 7 10.417 9.439 -0.357
52 HG3 GLU 7 HG3 GLU 7 12.067 10.057 -0.366
53 H SER 8 HN SER 8 9.872 6.556 0.228
54 HA SER 8 HA SER 8 8.187 7.956 2.161
55 HB2 SER 8 HB2 SER 8 7.440 6.201 -0.195
56 HB3 SER 8 HB3 SER 8 6.301 7.080 0.825
57 HG SER 8 HG SER 8 8.255 8.701 -0.130
58 H THR 9 HN THR 9 9.921 5.167 1.983
59 HA THR 9 HA THR 9 9.981 3.232 3.168
60 HB THR 9 HB THR 9 7.867 4.416 4.965
61 HG1 THR 9 HG1 THR 9 9.496 5.538 5.989
62 HG21 THR 9 HG21 THR 9 10.143 2.487 5.445
63 HG22 THR 9 HG22 THR 9 8.419 2.109 5.465
64 HG23 THR 9 HG23 THR 9 9.107 3.154 6.706
65 H SER 10 HN SER 10 7.739 3.914 1.140
66 HA SER 10 HA SER 10 6.285 1.406 1.539
67 HB2 SER 10 HB2 SER 10 4.813 3.196 2.390
68 HB3 SER 10 HB3 SER 10 4.941 4.029 0.840
69 HG SER 10 HG SER 10 3.235 2.133 1.523
70 H GLU 11 HN GLU 11 7.657 3.819 -0.490
71 HA GLU 11 HA GLU 11 8.191 3.894 -2.694
72 HB2 GLU 11 HB2 GLU 11 7.711 0.923 -2.459
73 HB3 GLU 11 HB3 GLU 11 8.358 1.692 -3.900
74 HG2 GLU 11 HG2 GLU 11 10.169 0.785 -2.644
75 HG3 GLU 11 HG3 GLU 11 10.245 2.544 -2.542
76 H SEP 12 HN SER 12 5.226 3.684 -1.659
77 HA SEP 12 HA SER 12 3.169 4.033 -2.551
78 HB2 SEP 12 HB2 SER 12 4.294 5.669 -3.996
79 HB3 SEP 12 HB3 SER 12 4.678 4.393 -5.150
80 H PHE 13 HN PHE 13 4.994 1.403 -3.190
81 HA PHE 13 HA PHE 13 2.822 -0.276 -3.726
82 HB2 PHE 13 HB2 PHE 13 3.473 -1.050 -6.021
83 HB3 PHE 13 HB3 PHE 13 2.788 0.568 -5.968
84 HD1 PHE 13 HD2 PHE 13 5.873 -1.375 -6.416
85 HD2 PHE 13 HD1 PHE 13 4.074 2.478 -6.599
86 HE1 PHE 13 HE2 PHE 13 7.845 -0.515 -7.610
87 HE2 PHE 13 HE1 PHE 13 6.046 3.345 -7.790
88 HZ PHE 13 HZ PHE 13 7.909 1.848 -8.338
89 H GLU 14 HN GLU 14 3.341 -2.230 -3.004
90 HA GLU 14 HA GLU 14 5.997 -3.297 -3.330
91 HB2 GLU 14 HB2 GLU 14 4.875 -2.530 -0.650
92 HB3 GLU 14 HB3 GLU 14 6.060 -3.813 -0.809
93 HG2 GLU 14 HG2 GLU 14 6.457 -0.967 -1.695
94 HG3 GLU 14 HG3 GLU 14 7.064 -1.666 -0.195
95 H SER 15 HN SER 15 4.608 -4.723 -4.620
96 HA SER 15 HA SER 15 2.679 -6.381 -3.311
97 HB2 SER 15 HB2 SER 15 2.656 -7.651 -5.428
98 HB3 SER 15 HB3 SER 15 2.502 -5.917 -5.708
99 HG SER 15 HG SER 15 5.091 -6.571 -5.701
100 H ILE 16 HN ILE 16 2.990 -8.192 -2.202
101 HA ILE 16 HA ILE 16 5.592 -9.561 -2.439
102 HB ILE 16 HB ILE 16 3.995 -9.415 0.111
103 HG12 ILE 16 HG12 ILE 16 6.420 -7.742 -0.568
104 HG13 ILE 16 HG13 ILE 16 4.767 -7.141 -0.657
105 HG21 ILE 16 HG21 ILE 16 5.529 -11.283 -0.051
106 HG22 ILE 16 HG22 ILE 16 6.848 -10.192 -0.477
107 HG23 ILE 16 HG23 ILE 16 6.123 -10.113 1.129
108 HD11 ILE 16 HD11 ILE 16 4.488 -7.577 1.732
109 HD12 ILE 16 HD12 ILE 16 6.152 -8.156 1.814
110 HD13 ILE 16 HD13 ILE 16 5.825 -6.470 1.415
111 H ALA 17 HN ALA 17 2.145 -9.774 -2.165
112 HA ALA 17 HA ALA 17 2.153 -12.505 -3.037
113 HB1 ALA 17 HB1 ALA 17 0.983 -11.983 -0.310
114 HB2 ALA 17 HB2 ALA 17 1.172 -13.533 -1.130
115 HB3 ALA 17 HB3 ALA 17 2.594 -12.656 -0.563
116 H ASP 18 HN ASP 18 -0.528 -12.749 -1.547
117 HA ASP 18 HA ASP 18 -2.158 -10.861 -3.071
118 HB2 ASP 18 HB2 ASP 18 -3.653 -12.735 -3.780
119 HB3 ASP 18 HB3 ASP 18 -2.053 -12.812 -4.512
120 H ASN 19 HN ASN 19 -1.356 -11.318 -0.279
121 HA ASN 19 HA ASN 19 -4.030 -11.453 0.912
122 HB2 ASN 19 HB2 ASN 19 -3.333 -12.880 2.673
123 HB3 ASN 19 HB3 ASN 19 -2.708 -13.631 1.207
124 HD21 ASN 19 HD21 ASN 19 -0.464 -13.332 0.702
125 HD22 ASN 19 HD22 ASN 19 0.680 -13.054 1.968
126 H ASN 20 HN ASN 20 -0.735 -10.338 0.919
127 HA ASN 20 HA ASN 20 -1.188 -8.588 3.208
128 HB2 ASN 20 HB2 ASN 20 1.035 -9.871 2.595
129 HB3 ASN 20 HB3 ASN 20 1.298 -8.489 1.539
130 HD21 ASN 20 HD21 ASN 20 -0.208 -6.758 3.439
131 HD22 ASN 20 HD22 ASN 20 0.906 -6.426 4.715
132 H ASP 21 HN ASP 21 -0.182 -8.279 -0.191
133 HA ASP 21 HA ASP 21 -0.307 -5.498 -0.362
134 HB2 ASP 21 HB2 ASP 21 -0.376 -5.804 -2.772
135 HB3 ASP 21 HB3 ASP 21 0.728 -6.981 -2.067
136 H ASP 22 HN ASP 22 -2.798 -7.741 0.049
137 HA ASP 22 HA ASP 22 -4.935 -6.705 -1.367
138 HB2 ASP 22 HB2 ASP 22 -6.300 -7.974 0.018
139 HB3 ASP 22 HB3 ASP 22 -4.740 -8.771 0.226
140 H SER 23 HN SER 23 -3.426 -5.501 1.553
141 HA SER 23 HA SER 23 -5.093 -3.102 1.388
142 HB2 SER 23 HB2 SER 23 -4.596 -4.831 3.795
143 HB3 SER 23 HB3 SER 23 -4.962 -3.120 3.970
144 HG SER 23 HG SER 23 -6.793 -4.658 3.995
145 H TYR 24 HN TYR 24 -2.081 -4.630 2.226
146 HA TYR 24 HA TYR 24 -0.781 -2.350 3.297
147 HB2 TYR 24 HB2 TYR 24 0.155 -4.386 3.925
148 HB3 TYR 24 HB3 TYR 24 0.057 -5.047 2.301
149 HD1 TYR 24 HD1 TYR 24 1.701 -2.143 3.958
150 HD2 TYR 24 HD2 TYR 24 2.104 -5.445 1.309
151 HE1 TYR 24 HE1 TYR 24 4.052 -1.560 3.608
152 HE2 TYR 24 HE2 TYR 24 4.469 -4.877 0.954
153 HH TYR 24 HH TYR 24 6.122 -2.583 2.892
154 H PHE 25 HN PHE 25 -1.489 -3.419 0.108
155 HA PHE 25 HA PHE 25 0.195 -1.265 -0.992
156 HB2 PHE 25 HB2 PHE 25 1.221 -3.117 -1.906
157 HB3 PHE 25 HB3 PHE 25 -0.262 -4.058 -1.950
158 HD1 PHE 25 HD2 PHE 25 1.206 -0.995 -3.496
159 HD2 PHE 25 HD1 PHE 25 -1.204 -4.464 -4.001
160 HE1 PHE 25 HE2 PHE 25 0.963 -0.473 -5.888
161 HE2 PHE 25 HE1 PHE 25 -1.452 -3.949 -6.394
162 HZ PHE 25 HZ PHE 25 -0.368 -1.950 -7.340
163 H GLN 26 HN GLN 26 -2.813 -3.071 -1.229
164 HA GLN 26 HA GLN 26 -3.886 -1.252 -3.202
165 HB2 GLN 26 HB2 GLN 26 -5.008 -3.668 -1.794
166 HB3 GLN 26 HB3 GLN 26 -5.982 -2.665 -2.859
167 HG2 GLN 26 HG2 GLN 26 -3.414 -3.944 -3.738
168 HG3 GLN 26 HG3 GLN 26 -4.979 -4.746 -3.869
169 HE21 GLN 26 HE21 GLN 26 -2.987 -2.133 -5.011
170 HE22 GLN 26 HE22 GLN 26 -3.923 -1.766 -6.417
171 H ARG 27 HN ARG 27 -4.286 -1.990 0.219
172 HA ARG 27 HA ARG 27 -5.242 -0.854 1.938
173 HB2 ARG 27 HB2 ARG 27 -5.160 1.524 0.081
174 HB3 ARG 27 HB3 ARG 27 -5.300 1.569 1.832
175 HG2 ARG 27 HG2 ARG 27 -3.068 0.613 2.044
176 HG3 ARG 27 HG3 ARG 27 -2.929 0.542 0.285
177 HD2 ARG 27 HD2 ARG 27 -1.776 2.495 1.009
178 HD3 ARG 27 HD3 ARG 27 -3.277 3.021 0.249
179 HE ARG 27 HE ARG 27 -3.382 2.707 3.125
180 HH11 ARG 27 HH12 ARG 27 -2.866 4.868 0.439
181 HH12 ARG 27 HH11 ARG 27 -3.193 6.297 1.360
182 HH21 ARG 27 HH22 ARG 27 -3.809 4.586 4.345
183 HH22 ARG 27 HH21 ARG 27 -3.724 6.138 3.581
184 H LYS 28 HN LYS 28 -7.192 -1.936 1.957
185 HA LYS 28 HA LYS 28 -9.461 -0.386 0.933
186 HB2 LYS 28 HB2 LYS 28 -8.837 -3.248 0.370
187 HB3 LYS 28 HB3 LYS 28 -10.519 -2.796 0.598
188 HG2 LYS 28 HG2 LYS 28 -10.278 -2.615 -1.678
189 HG3 LYS 28 HG3 LYS 28 -9.991 -0.955 -1.155
190 HD2 LYS 28 HD2 LYS 28 -7.578 -1.341 -1.261
191 HD3 LYS 28 HD3 LYS 28 -7.865 -3.004 -1.774
192 HE2 LYS 28 HE2 LYS 28 -8.696 -0.517 -3.266
193 HE3 LYS 28 HE3 LYS 28 -7.335 -1.560 -3.674
194 HZ1 LYS 28 HZ1 LYS 28 -9.251 -2.060 -5.041
195 HZ2 LYS 28 HZ2 LYS 28 -10.196 -2.356 -3.672
196 HZ3 LYS 28 HZ3 LYS 28 -8.898 -3.377 -4.038
197 HA PRO 29 HA PRO 29 -10.061 -1.706 5.350
198 HB2 PRO 29 HB2 PRO 29 -10.273 1.056 6.109
199 HB3 PRO 29 HB3 PRO 29 -9.023 -0.104 6.560
200 HG2 PRO 29 HG2 PRO 29 -8.607 2.088 4.945
201 HG3 PRO 29 HG3 PRO 29 -7.591 0.636 4.953
202 HD2 PRO 29 HD2 PRO 29 -9.759 1.427 3.050
203 HD3 PRO 29 HD3 PRO 29 -8.208 0.621 2.727
204 H LYS 30 HN LYS 30 -11.756 -0.230 6.898
205 HA LYS 30 HA LYS 30 -13.953 0.197 7.287
206 HB2 LYS 30 HB2 LYS 30 -13.980 1.088 4.397
207 HB3 LYS 30 HB3 LYS 30 -15.186 1.484 5.614
208 HG2 LYS 30 HG2 LYS 30 -12.289 2.287 5.774
209 HG3 LYS 30 HG3 LYS 30 -13.579 3.313 5.147
210 HD2 LYS 30 HD2 LYS 30 -13.587 2.125 7.917
211 HD3 LYS 30 HD3 LYS 30 -12.956 3.730 7.544
212 HE2 LYS 30 HE2 LYS 30 -15.153 4.379 6.669
213 HE3 LYS 30 HE3 LYS 30 -15.777 2.776 7.056
214 HZ1 LYS 30 HZ1 LYS 30 -14.708 4.726 9.027
215 HZ2 LYS 30 HZ2 LYS 30 -15.346 3.201 9.387
216 HZ3 LYS 30 HZ3 LYS 30 -16.348 4.407 8.754
217 H LEU 31 HN LEU 31 -16.265 -0.214 6.276
218 HA LEU 31 HA LEU 31 -16.267 -3.025 5.484
219 HB2 LEU 31 HB2 LEU 31 -18.323 -1.202 6.692
220 HB3 LEU 31 HB3 LEU 31 -18.794 -2.723 5.959
221 HG LEU 31 HG LEU 31 -17.252 -3.892 7.547
222 HD11 LEU 31 HD11 LEU 31 -16.508 -2.663 9.533
223 HD12 LEU 31 HD12 LEU 31 -15.760 -2.049 8.060
224 HD13 LEU 31 HD13 LEU 31 -17.085 -1.161 8.812
225 HD21 LEU 31 HD21 LEU 31 -19.658 -3.740 7.955
226 HD22 LEU 31 HD22 LEU 31 -18.746 -3.692 9.463
227 HD23 LEU 31 HD23 LEU 31 -19.421 -2.207 8.794
228 H THR 32 HN THR 32 -18.446 -3.493 4.144
229 HA THR 32 HA THR 32 -18.052 -2.058 1.640
230 HB THR 32 HB THR 32 -18.051 -4.478 1.498
231 HG1 THR 32 HG1 THR 32 -18.960 -4.029 -0.361
232 HG21 THR 32 HG21 THR 32 -20.854 -4.340 2.617
233 HG22 THR 32 HG22 THR 32 -19.436 -4.966 3.457
234 HG23 THR 32 HG23 THR 32 -20.050 -5.795 2.026
235 H GLU 33 HN GLU 33 -20.226 -2.133 4.263
236 HA GLU 33 HA GLU 33 -22.526 -1.197 2.791
237 HB2 GLU 33 HB2 GLU 33 -22.045 -1.283 5.776
238 HB3 GLU 33 HB3 GLU 33 -23.591 -1.007 4.984
239 HG2 GLU 33 HG2 GLU 33 -23.543 -3.246 4.054
240 HG3 GLU 33 HG3 GLU 33 -21.959 -3.527 4.773
241 H ALA 34 HN ALA 34 -20.505 0.215 5.373
242 HA ALA 34 HA ALA 34 -21.488 2.858 4.903
243 HB1 ALA 34 HB1 ALA 34 -19.094 1.952 6.501
244 HB2 ALA 34 HB2 ALA 34 -19.839 3.550 6.562
245 HB3 ALA 34 HB3 ALA 34 -20.736 2.137 7.117
246 HA PRO 35 HA PRO 35 -18.630 4.121 1.769
247 HB2 PRO 35 HB2 PRO 35 -18.612 6.787 2.096
248 HB3 PRO 35 HB3 PRO 35 -20.048 5.929 1.525
249 HG2 PRO 35 HG2 PRO 35 -19.419 6.959 4.261
250 HG3 PRO 35 HG3 PRO 35 -20.948 7.020 3.365
251 HD2 PRO 35 HD2 PRO 35 -20.381 5.169 5.312
252 HD3 PRO 35 HD3 PRO 35 -21.536 4.899 3.993
Start of MODEL 16
1 H1 GLU 1 H1 GLU 1 22.166 2.934 2.974
2 H2 GLU 1 H2 GLU 1 23.802 2.522 3.075
3 H3 GLU 1 H3 GLU 1 23.326 4.136 3.243
4 HA GLU 1 HA GLU 1 22.634 1.931 5.095
5 HB2 GLU 1 HB2 GLU 1 24.524 4.262 5.481
6 HB3 GLU 1 HB3 GLU 1 24.155 3.016 6.666
7 HG2 GLU 1 HG2 GLU 1 25.522 2.578 4.021
8 HG3 GLU 1 HG3 GLU 1 26.312 2.644 5.596
9 H HIS 2 HN HIS 2 21.350 2.496 6.847
10 HA HIS 2 HA HIS 2 19.627 3.542 7.901
11 HB2 HIS 2 HB2 HIS 2 21.117 6.055 7.110
12 HB3 HIS 2 HB3 HIS 2 19.900 5.926 8.375
13 HD1 HIS 2 HD1 HIS 2 23.487 5.500 7.727
14 HD2 HIS 2 HD2 HIS 2 20.767 4.405 10.671
15 HE1 HIS 2 HE1 HIS 2 24.878 4.822 9.709
16 HE2 HIS 2 HE2 HIS 2 23.214 4.079 11.446
17 H LYS 3 HN LYS 3 18.250 5.898 7.452
18 HA LYS 3 HA LYS 3 17.419 5.842 4.650
19 HB2 LYS 3 HB2 LYS 3 15.054 5.636 5.238
20 HB3 LYS 3 HB3 LYS 3 15.959 4.226 5.767
21 HG2 LYS 3 HG2 LYS 3 15.388 6.491 7.643
22 HG3 LYS 3 HG3 LYS 3 14.197 5.226 7.342
23 HD2 LYS 3 HD2 LYS 3 17.018 4.741 8.298
24 HD3 LYS 3 HD3 LYS 3 15.600 4.805 9.343
25 HE2 LYS 3 HE2 LYS 3 14.626 2.911 8.147
26 HE3 LYS 3 HE3 LYS 3 16.029 2.855 7.081
27 HZ1 LYS 3 HZ1 LYS 3 17.418 2.384 9.016
28 HZ2 LYS 3 HZ2 LYS 3 16.217 1.209 8.820
29 HZ3 LYS 3 HZ3 LYS 3 16.052 2.394 10.015
30 H HIS 4 HN HIS 4 15.895 7.633 4.133
31 HA HIS 4 HA HIS 4 16.727 10.037 5.571
32 HB2 HIS 4 HB2 HIS 4 17.031 9.962 3.122
33 HB3 HIS 4 HB3 HIS 4 15.295 9.751 2.920
34 HD1 HIS 4 HD1 HIS 4 13.944 11.830 2.707
35 HD2 HIS 4 HD2 HIS 4 17.712 12.564 4.300
36 HE1 HIS 4 HE1 HIS 4 14.141 14.334 2.844
37 HE2 HIS 4 HE2 HIS 4 16.400 14.753 3.876
38 H SER 5 HN SER 5 13.936 8.079 4.956
39 HA SER 5 HA SER 5 12.405 9.636 6.857
40 HB2 SER 5 HB2 SER 5 10.454 9.874 5.347
41 HB3 SER 5 HB3 SER 5 11.854 10.781 4.776
42 HG SER 5 HG SER 5 10.971 9.657 3.055
43 H ASP 6 HN ASP 6 11.895 7.119 4.376
44 HA ASP 6 HA ASP 6 11.136 5.255 6.500
45 HB2 ASP 6 HB2 ASP 6 9.453 5.764 4.037
46 HB3 ASP 6 HB3 ASP 6 9.150 4.521 5.247
47 H GLU 7 HN GLU 7 10.932 5.168 2.949
48 HA GLU 7 HA GLU 7 13.270 3.586 2.607
49 HB2 GLU 7 HB2 GLU 7 11.818 1.879 3.646
50 HB3 GLU 7 HB3 GLU 7 10.622 2.138 2.384
51 HG2 GLU 7 HG2 GLU 7 12.280 1.404 0.711
52 HG3 GLU 7 HG3 GLU 7 13.409 1.062 2.022
53 H SER 8 HN SER 8 10.096 3.349 1.035
54 HA SER 8 HA SER 8 11.322 4.371 -1.430
55 HB2 SER 8 HB2 SER 8 9.320 3.350 -2.552
56 HB3 SER 8 HB3 SER 8 10.338 2.179 -1.714
57 HG SER 8 HG SER 8 8.065 1.925 -1.307
58 H THR 9 HN THR 9 9.589 5.410 1.135
59 HA THR 9 HA THR 9 8.293 7.216 1.597
60 HB THR 9 HB THR 9 9.061 8.289 -1.115
61 HG1 THR 9 HG1 THR 9 10.904 7.474 0.118
62 HG21 THR 9 HG21 THR 9 8.444 9.594 1.539
63 HG22 THR 9 HG22 THR 9 7.463 9.660 0.074
64 HG23 THR 9 HG23 THR 9 9.038 10.452 0.117
65 H SER 10 HN SER 10 7.294 4.912 -0.112
66 HA SER 10 HA SER 10 4.713 6.111 -0.728
67 HB2 SER 10 HB2 SER 10 4.706 4.729 -2.915
68 HB3 SER 10 HB3 SER 10 5.598 6.253 -2.904
69 HG SER 10 HG SER 10 6.555 3.617 -2.899
70 H GLU 11 HN GLU 11 6.665 3.156 -0.660
71 HA GLU 11 HA GLU 11 6.196 1.009 -0.128
72 HB2 GLU 11 HB2 GLU 11 4.191 2.258 1.747
73 HB3 GLU 11 HB3 GLU 11 4.944 0.680 1.886
74 HG2 GLU 11 HG2 GLU 11 7.116 1.721 2.223
75 HG3 GLU 11 HG3 GLU 11 6.380 3.315 2.054
76 H SEP 12 HN SER 12 4.410 2.496 -2.133
77 HA SEP 12 HA SER 12 1.889 1.116 -1.974
78 HB2 SEP 12 HB2 SER 12 3.102 2.699 -4.256
79 HB3 SEP 12 HB3 SER 12 1.423 2.171 -4.145
80 H PHE 13 HN PHE 13 4.766 -0.098 -2.419
81 HA PHE 13 HA PHE 13 3.898 -2.429 -3.752
82 HB2 PHE 13 HB2 PHE 13 5.360 -2.259 -5.771
83 HB3 PHE 13 HB3 PHE 13 4.005 -1.136 -5.785
84 HD1 PHE 13 HD2 PHE 13 7.639 -1.464 -5.516
85 HD2 PHE 13 HD1 PHE 13 4.355 1.242 -5.590
86 HE1 PHE 13 HE2 PHE 13 9.194 0.407 -5.889
87 HE2 PHE 13 HE1 PHE 13 5.903 3.118 -5.965
88 HZ PHE 13 HZ PHE 13 8.325 2.701 -6.114
89 H GLU 14 HN GLU 14 6.360 -3.296 -4.806
90 HA GLU 14 HA GLU 14 8.310 -4.278 -4.182
91 HB2 GLU 14 HB2 GLU 14 8.939 -1.841 -3.887
92 HB3 GLU 14 HB3 GLU 14 8.597 -2.041 -2.174
93 HG2 GLU 14 HG2 GLU 14 10.330 -3.694 -1.974
94 HG3 GLU 14 HG3 GLU 14 10.620 -3.649 -3.712
95 H SER 15 HN SER 15 6.037 -5.320 -3.070
96 HA SER 15 HA SER 15 7.070 -6.332 -0.522
97 HB2 SER 15 HB2 SER 15 5.382 -4.598 0.010
98 HB3 SER 15 HB3 SER 15 4.193 -5.481 -0.948
99 HG SER 15 HG SER 15 4.709 -5.814 1.578
100 H ILE 16 HN ILE 16 5.364 -8.192 0.171
101 HA ILE 16 HA ILE 16 5.742 -10.274 -1.666
102 HB ILE 16 HB ILE 16 3.711 -10.166 0.571
103 HG12 ILE 16 HG12 ILE 16 6.530 -11.263 0.642
104 HG13 ILE 16 HG13 ILE 16 6.086 -9.673 1.253
105 HG21 ILE 16 HG21 ILE 16 3.290 -11.984 -0.977
106 HG22 ILE 16 HG22 ILE 16 4.971 -12.502 -0.860
107 HG23 ILE 16 HG23 ILE 16 3.913 -12.617 0.546
108 HD11 ILE 16 HD11 ILE 16 5.042 -12.310 2.261
109 HD12 ILE 16 HD12 ILE 16 6.241 -11.286 3.052
110 HD13 ILE 16 HD13 ILE 16 4.581 -10.719 2.869
111 H ALA 17 HN ALA 17 2.816 -8.443 -0.832
112 HA ALA 17 HA ALA 17 0.836 -8.133 -1.896
113 HB1 ALA 17 HB1 ALA 17 2.286 -7.147 -3.602
114 HB2 ALA 17 HB2 ALA 17 2.441 -8.725 -4.377
115 HB3 ALA 17 HB3 ALA 17 0.871 -7.924 -4.312
116 H ASP 18 HN ASP 18 -0.540 -9.243 -3.866
117 HA ASP 18 HA ASP 18 -1.781 -11.038 -4.487
118 HB2 ASP 18 HB2 ASP 18 0.582 -12.725 -3.637
119 HB3 ASP 18 HB3 ASP 18 -0.725 -13.210 -4.712
120 H ASN 19 HN ASN 19 -0.981 -10.278 -1.505
121 HA ASN 19 HA ASN 19 -3.153 -11.519 -0.260
122 HB2 ASN 19 HB2 ASN 19 -2.088 -13.073 1.201
123 HB3 ASN 19 HB3 ASN 19 -1.570 -13.476 -0.428
124 HD21 ASN 19 HD21 ASN 19 0.556 -13.155 -1.019
125 HD22 ASN 19 HD22 ASN 19 1.802 -12.821 0.129
126 H ASN 20 HN ASN 20 -0.539 -9.448 -0.447
127 HA ASN 20 HA ASN 20 -0.946 -8.443 2.290
128 HB2 ASN 20 HB2 ASN 20 1.410 -9.144 1.372
129 HB3 ASN 20 HB3 ASN 20 1.347 -7.586 0.559
130 HD21 ASN 20 HD21 ASN 20 -0.242 -6.408 2.723
131 HD22 ASN 20 HD22 ASN 20 0.866 -6.117 4.013
132 H ASP 21 HN ASP 21 -0.264 -7.274 -1.009
133 HA ASP 21 HA ASP 21 -0.888 -4.592 -0.568
134 HB2 ASP 21 HB2 ASP 21 -0.973 -6.286 -3.061
135 HB3 ASP 21 HB3 ASP 21 -1.315 -4.559 -3.084
136 H ASP 22 HN ASP 22 -2.950 -7.249 -0.537
137 HA ASP 22 HA ASP 22 -5.298 -6.249 -1.673
138 HB2 ASP 22 HB2 ASP 22 -4.735 -8.613 -0.847
139 HB3 ASP 22 HB3 ASP 22 -5.238 -8.043 0.743
140 H SER 23 HN SER 23 -3.636 -5.204 1.085
141 HA SER 23 HA SER 23 -5.798 -3.387 1.767
142 HB2 SER 23 HB2 SER 23 -6.155 -5.424 3.192
143 HB3 SER 23 HB3 SER 23 -4.566 -5.145 3.901
144 HG SER 23 HG SER 23 -6.804 -4.131 4.715
145 H TYR 24 HN TYR 24 -2.532 -4.533 2.305
146 HA TYR 24 HA TYR 24 -1.534 -2.309 3.709
147 HB2 TYR 24 HB2 TYR 24 -0.224 -4.217 3.862
148 HB3 TYR 24 HB3 TYR 24 -0.380 -4.581 2.149
149 HD1 TYR 24 HD1 TYR 24 1.015 -1.865 4.283
150 HD2 TYR 24 HD2 TYR 24 1.552 -4.384 0.901
151 HE1 TYR 24 HE1 TYR 24 3.212 -0.854 3.894
152 HE2 TYR 24 HE2 TYR 24 3.763 -3.384 0.501
153 HH TYR 24 HH TYR 24 4.941 -1.254 1.025
154 H PHE 25 HN PHE 25 -2.229 -2.847 0.373
155 HA PHE 25 HA PHE 25 -0.873 -0.328 -0.337
156 HB2 PHE 25 HB2 PHE 25 0.153 -1.939 -1.666
157 HB3 PHE 25 HB3 PHE 25 -1.329 -2.864 -1.867
158 HD1 PHE 25 HD2 PHE 25 0.037 0.510 -2.695
159 HD2 PHE 25 HD1 PHE 25 -2.365 -2.786 -3.897
160 HE1 PHE 25 HE2 PHE 25 -0.340 1.589 -4.876
161 HE2 PHE 25 HE1 PHE 25 -2.751 -1.717 -6.080
162 HZ PHE 25 HZ PHE 25 -1.738 0.474 -6.572
163 H GLN 26 HN GLN 26 -3.652 -2.334 -1.332
164 HA GLN 26 HA GLN 26 -5.005 -0.137 -2.541
165 HB2 GLN 26 HB2 GLN 26 -5.293 -2.521 -3.221
166 HB3 GLN 26 HB3 GLN 26 -6.150 -2.807 -1.713
167 HG2 GLN 26 HG2 GLN 26 -7.732 -2.510 -3.490
168 HG3 GLN 26 HG3 GLN 26 -7.833 -1.140 -2.382
169 HE21 GLN 26 HE21 GLN 26 -8.756 0.179 -3.946
170 HE22 GLN 26 HE22 GLN 26 -7.846 0.824 -5.264
171 H ARG 27 HN ARG 27 -5.216 -1.761 0.580
172 HA ARG 27 HA ARG 27 -6.174 -1.165 2.549
173 HB2 ARG 27 HB2 ARG 27 -6.531 1.537 1.242
174 HB3 ARG 27 HB3 ARG 27 -6.691 1.198 2.959
175 HG2 ARG 27 HG2 ARG 27 -4.325 0.540 3.033
176 HG3 ARG 27 HG3 ARG 27 -4.177 0.940 1.321
177 HD2 ARG 27 HD2 ARG 27 -4.822 3.260 1.828
178 HD3 ARG 27 HD3 ARG 27 -4.912 2.848 3.540
179 HE ARG 27 HE ARG 27 -2.379 2.130 2.717
180 HH11 ARG 27 HH12 ARG 27 -4.269 5.055 2.857
181 HH12 ARG 27 HH11 ARG 27 -2.894 6.086 3.062
182 HH21 ARG 27 HH22 ARG 27 -0.563 3.482 2.984
183 HH22 ARG 27 HH21 ARG 27 -0.787 5.193 3.132
184 H LYS 28 HN LYS 28 -7.987 -2.250 2.867
185 HA LYS 28 HA LYS 28 -10.454 -1.247 1.608
186 HB2 LYS 28 HB2 LYS 28 -9.322 -3.918 1.684
187 HB3 LYS 28 HB3 LYS 28 -10.944 -3.888 2.362
188 HG2 LYS 28 HG2 LYS 28 -11.205 -4.371 0.082
189 HG3 LYS 28 HG3 LYS 28 -11.655 -2.674 0.263
190 HD2 LYS 28 HD2 LYS 28 -9.467 -1.985 -0.536
191 HD3 LYS 28 HD3 LYS 28 -8.960 -3.672 -0.652
192 HE2 LYS 28 HE2 LYS 28 -11.217 -2.407 -2.205
193 HE3 LYS 28 HE3 LYS 28 -9.605 -2.743 -2.837
194 HZ1 LYS 28 HZ1 LYS 28 -11.557 -4.758 -1.865
195 HZ2 LYS 28 HZ2 LYS 28 -9.993 -5.105 -2.404
196 HZ3 LYS 28 HZ3 LYS 28 -11.136 -4.472 -3.478
197 HA PRO 29 HA PRO 29 -11.167 -1.081 6.141
198 HB2 PRO 29 HB2 PRO 29 -11.656 1.657 6.186
199 HB3 PRO 29 HB3 PRO 29 -10.115 0.883 6.560
200 HG2 PRO 29 HG2 PRO 29 -10.716 2.568 4.347
201 HG3 PRO 29 HG3 PRO 29 -9.206 1.701 4.664
202 HD2 PRO 29 HD2 PRO 29 -11.451 0.995 2.862
203 HD3 PRO 29 HD3 PRO 29 -9.734 0.552 2.761
204 H LYS 30 HN LYS 30 -12.881 1.266 4.069
205 HA LYS 30 HA LYS 30 -15.077 1.707 3.730
206 HB2 LYS 30 HB2 LYS 30 -15.355 -1.210 4.458
207 HB3 LYS 30 HB3 LYS 30 -16.678 -0.220 3.858
208 HG2 LYS 30 HG2 LYS 30 -15.979 -1.250 1.937
209 HG3 LYS 30 HG3 LYS 30 -15.052 0.250 1.874
210 HD2 LYS 30 HD2 LYS 30 -13.589 -1.572 1.326
211 HD3 LYS 30 HD3 LYS 30 -13.143 -0.957 2.918
212 HE2 LYS 30 HE2 LYS 30 -13.155 -3.417 2.833
213 HE3 LYS 30 HE3 LYS 30 -14.321 -2.779 3.990
214 HZ1 LYS 30 HZ1 LYS 30 -15.245 -4.584 2.661
215 HZ2 LYS 30 HZ2 LYS 30 -14.968 -3.705 1.243
216 HZ3 LYS 30 HZ3 LYS 30 -16.077 -3.136 2.386
217 H LEU 31 HN LEU 31 -13.788 1.478 6.592
218 HA LEU 31 HA LEU 31 -14.395 1.871 8.754
219 HB2 LEU 31 HB2 LEU 31 -16.611 3.358 7.341
220 HB3 LEU 31 HB3 LEU 31 -16.181 3.561 9.028
221 HG LEU 31 HG LEU 31 -14.369 4.180 6.693
222 HD11 LEU 31 HD11 LEU 31 -15.907 6.022 8.519
223 HD12 LEU 31 HD12 LEU 31 -14.744 6.520 7.290
224 HD13 LEU 31 HD13 LEU 31 -16.245 5.726 6.813
225 HD21 LEU 31 HD21 LEU 31 -12.948 5.238 8.383
226 HD22 LEU 31 HD22 LEU 31 -14.040 4.681 9.650
227 HD23 LEU 31 HD23 LEU 31 -13.138 3.511 8.686
228 H THR 32 HN THR 32 -17.073 2.333 9.774
229 HA THR 32 HA THR 32 -18.833 1.218 10.676
230 HB THR 32 HB THR 32 -18.572 -0.681 8.336
231 HG1 THR 32 HG1 THR 32 -20.566 0.917 7.916
232 HG21 THR 32 HG21 THR 32 -20.939 -1.147 8.755
233 HG22 THR 32 HG22 THR 32 -20.910 -0.068 10.149
234 HG23 THR 32 HG23 THR 32 -19.956 -1.551 10.162
235 H GLU 33 HN GLU 33 -17.325 -1.643 9.236
236 HA GLU 33 HA GLU 33 -16.045 -2.426 11.682
237 HB2 GLU 33 HB2 GLU 33 -18.372 -2.997 12.212
238 HB3 GLU 33 HB3 GLU 33 -18.473 -3.967 10.749
239 HG2 GLU 33 HG2 GLU 33 -18.154 -5.366 12.704
240 HG3 GLU 33 HG3 GLU 33 -16.767 -5.474 11.619
241 H ALA 34 HN ALA 34 -17.426 -3.742 8.672
242 HA ALA 34 HA ALA 34 -16.574 -5.118 7.072
243 HB1 ALA 34 HB1 ALA 34 -13.978 -3.801 7.859
244 HB2 ALA 34 HB2 ALA 34 -14.288 -4.675 6.358
245 HB3 ALA 34 HB3 ALA 34 -15.146 -3.171 6.697
246 HA PRO 35 HA PRO 35 -15.529 -8.362 10.236
247 HB2 PRO 35 HB2 PRO 35 -16.795 -9.911 8.024
248 HB3 PRO 35 HB3 PRO 35 -17.033 -10.042 9.770
249 HG2 PRO 35 HG2 PRO 35 -18.860 -8.859 8.241
250 HG3 PRO 35 HG3 PRO 35 -18.462 -8.215 9.845
251 HD2 PRO 35 HD2 PRO 35 -17.675 -7.212 7.146
252 HD3 PRO 35 HD3 PRO 35 -18.061 -6.304 8.621
Start of MODEL 17
1 H1 GLU 1 H1 GLU 1 17.930 5.880 8.402
2 H2 GLU 1 H2 GLU 1 19.483 5.788 7.739
3 H3 GLU 1 H3 GLU 1 18.217 6.453 6.835
4 HA GLU 1 HA GLU 1 19.337 7.583 9.332
5 HB2 GLU 1 HB2 GLU 1 19.569 8.522 6.465
6 HB3 GLU 1 HB3 GLU 1 20.182 9.380 7.871
7 HG2 GLU 1 HG2 GLU 1 21.709 7.539 8.340
8 HG3 GLU 1 HG3 GLU 1 21.089 6.665 6.941
9 H HIS 2 HN HIS 2 16.526 6.980 8.035
10 HA HIS 2 HA HIS 2 14.464 7.932 8.044
11 HB2 HIS 2 HB2 HIS 2 15.781 9.903 9.924
12 HB3 HIS 2 HB3 HIS 2 14.045 9.723 9.690
13 HD1 HIS 2 HD1 HIS 2 12.890 8.012 11.100
14 HD2 HIS 2 HD2 HIS 2 17.021 7.571 11.140
15 HE1 HIS 2 HE1 HIS 2 13.362 6.262 12.844
16 HE2 HIS 2 HE2 HIS 2 15.874 6.065 12.902
17 H LYS 3 HN LYS 3 16.759 9.002 6.276
18 HA LYS 3 HA LYS 3 15.741 11.660 5.646
19 HB2 LYS 3 HB2 LYS 3 18.088 10.082 4.590
20 HB3 LYS 3 HB3 LYS 3 17.629 11.666 3.981
21 HG2 LYS 3 HG2 LYS 3 18.378 11.080 6.838
22 HG3 LYS 3 HG3 LYS 3 19.472 11.739 5.620
23 HD2 LYS 3 HD2 LYS 3 16.888 13.036 6.484
24 HD3 LYS 3 HD3 LYS 3 18.480 13.465 7.111
25 HE2 LYS 3 HE2 LYS 3 19.203 14.081 4.857
26 HE3 LYS 3 HE3 LYS 3 17.617 13.639 4.225
27 HZ1 LYS 3 HZ1 LYS 3 17.812 16.025 4.560
28 HZ2 LYS 3 HZ2 LYS 3 18.144 15.792 6.202
29 HZ3 LYS 3 HZ3 LYS 3 16.628 15.375 5.579
30 H HIS 4 HN HIS 4 16.645 8.848 3.646
31 HA HIS 4 HA HIS 4 14.436 9.538 1.833
32 HB2 HIS 4 HB2 HIS 4 16.799 7.730 1.291
33 HB3 HIS 4 HB3 HIS 4 15.624 8.312 0.117
34 HD1 HIS 4 HD1 HIS 4 15.891 10.731 -0.731
35 HD2 HIS 4 HD2 HIS 4 18.774 9.582 2.032
36 HE1 HIS 4 HE1 HIS 4 17.665 12.511 -0.830
37 HE2 HIS 4 HE2 HIS 4 19.436 11.755 0.795
38 H SER 5 HN SER 5 14.704 7.754 4.413
39 HA SER 5 HA SER 5 13.560 5.287 3.325
40 HB2 SER 5 HB2 SER 5 15.391 5.045 4.951
41 HB3 SER 5 HB3 SER 5 14.455 5.948 6.142
42 HG SER 5 HG SER 5 13.775 3.446 4.987
43 H ASP 6 HN ASP 6 12.428 8.198 4.148
44 HA ASP 6 HA ASP 6 9.841 7.098 4.965
45 HB2 ASP 6 HB2 ASP 6 10.873 7.840 7.039
46 HB3 ASP 6 HB3 ASP 6 11.232 9.411 6.332
47 H GLU 7 HN GLU 7 8.645 7.583 3.231
48 HA GLU 7 HA GLU 7 8.016 10.302 2.650
49 HB2 GLU 7 HB2 GLU 7 10.223 9.894 1.419
50 HB3 GLU 7 HB3 GLU 7 9.316 8.806 0.377
51 HG2 GLU 7 HG2 GLU 7 8.601 11.696 0.792
52 HG3 GLU 7 HG3 GLU 7 9.637 11.119 -0.510
53 H SER 8 HN SER 8 8.109 7.380 0.618
54 HA SER 8 HA SER 8 5.166 7.465 0.520
55 HB2 SER 8 HB2 SER 8 6.259 7.882 -1.660
56 HB3 SER 8 HB3 SER 8 7.092 6.334 -1.527
57 HG SER 8 HG SER 8 5.197 5.278 -1.788
58 H THR 9 HN THR 9 7.049 6.151 2.433
59 HA THR 9 HA THR 9 7.533 4.124 3.376
60 HB THR 9 HB THR 9 5.462 4.542 4.440
61 HG1 THR 9 HG1 THR 9 6.242 2.364 4.607
62 HG21 THR 9 HG21 THR 9 4.091 3.445 1.981
63 HG22 THR 9 HG22 THR 9 4.101 5.128 2.507
64 HG23 THR 9 HG23 THR 9 3.288 3.904 3.482
65 H SER 10 HN SER 10 8.838 3.054 1.940
66 HA SER 10 HA SER 10 9.509 1.356 0.590
67 HB2 SER 10 HB2 SER 10 6.749 0.259 1.178
68 HB3 SER 10 HB3 SER 10 8.065 -0.648 0.431
69 HG SER 10 HG SER 10 8.795 -1.016 2.354
70 H GLU 11 HN GLU 11 7.782 3.697 -0.388
71 HA GLU 11 HA GLU 11 7.003 4.493 -2.368
72 HB2 GLU 11 HB2 GLU 11 8.466 2.105 -3.508
73 HB3 GLU 11 HB3 GLU 11 7.907 3.499 -4.423
74 HG2 GLU 11 HG2 GLU 11 9.962 3.556 -2.225
75 HG3 GLU 11 HG3 GLU 11 10.299 3.605 -3.955
76 H SEP 12 HN SER 12 5.596 2.190 -0.884
77 HA SEP 12 HA SER 12 3.777 0.836 -1.126
78 HB2 SEP 12 HB2 SER 12 1.920 1.825 -2.403
79 HB3 SEP 12 HB3 SER 12 2.733 3.040 -1.419
80 H PHE 13 HN PHE 13 5.566 -0.560 -2.237
81 HA PHE 13 HA PHE 13 4.324 -1.691 -4.604
82 HB2 PHE 13 HB2 PHE 13 6.575 0.018 -4.828
83 HB3 PHE 13 HB3 PHE 13 7.146 -1.621 -5.120
84 HD1 PHE 13 HD2 PHE 13 4.716 0.931 -6.222
85 HD2 PHE 13 HD1 PHE 13 6.657 -2.745 -7.130
86 HE1 PHE 13 HE2 PHE 13 3.838 1.040 -8.517
87 HE2 PHE 13 HE1 PHE 13 5.785 -2.642 -9.429
88 HZ PHE 13 HZ PHE 13 4.384 -0.742 -10.128
89 H GLU 14 HN GLU 14 6.880 -3.213 -5.101
90 HA GLU 14 HA GLU 14 7.705 -5.251 -4.567
91 HB2 GLU 14 HB2 GLU 14 7.471 -4.336 -1.706
92 HB3 GLU 14 HB3 GLU 14 8.619 -5.475 -2.388
93 HG2 GLU 14 HG2 GLU 14 9.736 -3.725 -3.588
94 HG3 GLU 14 HG3 GLU 14 8.520 -2.554 -3.082
95 H SER 15 HN SER 15 4.895 -5.100 -4.886
96 HA SER 15 HA SER 15 3.288 -6.226 -2.970
97 HB2 SER 15 HB2 SER 15 1.912 -7.096 -4.822
98 HB3 SER 15 HB3 SER 15 2.451 -5.447 -5.136
99 HG SER 15 HG SER 15 3.549 -7.838 -6.200
100 H ILE 16 HN ILE 16 2.844 -8.240 -2.201
101 HA ILE 16 HA ILE 16 4.649 -10.407 -3.064
102 HB ILE 16 HB ILE 16 3.383 -10.180 -0.337
103 HG12 ILE 16 HG12 ILE 16 5.905 -9.645 0.251
104 HG13 ILE 16 HG13 ILE 16 5.930 -9.026 -1.398
105 HG21 ILE 16 HG21 ILE 16 4.028 -12.419 -0.956
106 HG22 ILE 16 HG22 ILE 16 5.637 -11.862 -1.421
107 HG23 ILE 16 HG23 ILE 16 5.138 -11.807 0.270
108 HD11 ILE 16 HD11 ILE 16 5.477 -7.275 0.242
109 HD12 ILE 16 HD12 ILE 16 4.126 -7.494 -0.870
110 HD13 ILE 16 HD13 ILE 16 4.034 -8.143 0.767
111 H ALA 17 HN ALA 17 1.389 -9.511 -2.153
112 HA ALA 17 HA ALA 17 0.316 -11.778 -3.574
113 HB1 ALA 17 HB1 ALA 17 -0.239 -11.533 -0.616
114 HB2 ALA 17 HB2 ALA 17 -0.907 -12.737 -1.718
115 HB3 ALA 17 HB3 ALA 17 0.818 -12.737 -1.352
116 H ASP 18 HN ASP 18 -2.252 -11.613 -2.199
117 HA ASP 18 HA ASP 18 -3.110 -8.936 -3.076
118 HB2 ASP 18 HB2 ASP 18 -3.853 -10.821 -4.563
119 HB3 ASP 18 HB3 ASP 18 -4.745 -11.482 -3.196
120 H ASN 19 HN ASN 19 -2.435 -10.532 -0.465
121 HA ASN 19 HA ASN 19 -4.590 -9.324 1.108
122 HB2 ASN 19 HB2 ASN 19 -4.337 -11.374 2.656
123 HB3 ASN 19 HB3 ASN 19 -5.259 -11.570 1.170
124 HD21 ASN 19 HD21 ASN 19 -1.759 -11.377 1.286
125 HD22 ASN 19 HD22 ASN 19 -1.470 -13.013 0.820
126 H ASN 20 HN ASN 20 -1.407 -9.498 0.414
127 HA ASN 20 HA ASN 20 -0.609 -8.687 3.135
128 HB2 ASN 20 HB2 ASN 20 0.439 -10.815 2.269
129 HB3 ASN 20 HB3 ASN 20 1.219 -9.843 1.025
130 HD21 ASN 20 HD21 ASN 20 0.642 -8.703 4.267
131 HD22 ASN 20 HD22 ASN 20 2.295 -8.672 4.759
132 H ASP 21 HN ASP 21 -0.791 -7.888 -0.183
133 HA ASP 21 HA ASP 21 0.794 -5.471 0.223
134 HB2 ASP 21 HB2 ASP 21 1.603 -6.791 -1.648
135 HB3 ASP 21 HB3 ASP 21 -0.017 -6.865 -2.333
136 H ASP 22 HN ASP 22 -2.263 -6.741 -0.978
137 HA ASP 22 HA ASP 22 -3.384 -4.110 -1.365
138 HB2 ASP 22 HB2 ASP 22 -4.461 -6.917 -1.548
139 HB3 ASP 22 HB3 ASP 22 -5.526 -5.517 -1.668
140 H SER 23 HN SER 23 -2.418 -5.456 1.269
141 HA SER 23 HA SER 23 -4.818 -5.152 2.902
142 HB2 SER 23 HB2 SER 23 -3.338 -7.146 3.217
143 HB3 SER 23 HB3 SER 23 -2.054 -6.058 3.738
144 HG SER 23 HG SER 23 -3.441 -5.382 5.440
145 H TYR 24 HN TYR 24 -1.424 -4.006 2.887
146 HA TYR 24 HA TYR 24 -2.408 -1.543 4.165
147 HB2 TYR 24 HB2 TYR 24 -0.364 -1.451 5.538
148 HB3 TYR 24 HB3 TYR 24 -1.362 -2.852 5.901
149 HD1 TYR 24 HD1 TYR 24 -0.614 -5.102 5.278
150 HD2 TYR 24 HD2 TYR 24 1.833 -1.693 4.579
151 HE1 TYR 24 HE1 TYR 24 1.331 -6.572 4.960
152 HE2 TYR 24 HE2 TYR 24 3.785 -3.154 4.259
153 HH TYR 24 HH TYR 24 3.521 -6.514 3.854
154 H PHE 25 HN PHE 25 -0.625 -2.879 1.607
155 HA PHE 25 HA PHE 25 1.030 -0.511 1.237
156 HB2 PHE 25 HB2 PHE 25 0.794 -3.132 -0.202
157 HB3 PHE 25 HB3 PHE 25 1.561 -1.767 -0.997
158 HD1 PHE 25 HD2 PHE 25 2.950 -0.541 1.319
159 HD2 PHE 25 HD1 PHE 25 2.577 -4.611 0.137
160 HE1 PHE 25 HE2 PHE 25 5.060 -1.060 2.465
161 HE2 PHE 25 HE1 PHE 25 4.686 -5.142 1.289
162 HZ PHE 25 HZ PHE 25 5.959 -3.412 2.378
163 H GLN 26 HN GLN 26 -1.787 -2.054 -0.196
164 HA GLN 26 HA GLN 26 -2.195 0.348 -1.853
165 HB2 GLN 26 HB2 GLN 26 -3.161 -2.476 -2.340
166 HB3 GLN 26 HB3 GLN 26 -3.529 -1.090 -3.354
167 HG2 GLN 26 HG2 GLN 26 -0.773 -2.183 -2.843
168 HG3 GLN 26 HG3 GLN 26 -1.748 -2.498 -4.277
169 HE21 GLN 26 HE21 GLN 26 0.159 -0.171 -2.557
170 HE22 GLN 26 HE22 GLN 26 0.279 0.985 -3.834
171 H ARG 27 HN ARG 27 -3.605 -1.922 0.394
172 HA ARG 27 HA ARG 27 -5.523 -1.935 1.597
173 HB2 ARG 27 HB2 ARG 27 -4.439 0.435 2.029
174 HB3 ARG 27 HB3 ARG 27 -5.878 0.998 1.189
175 HG2 ARG 27 HG2 ARG 27 -7.275 -0.185 2.816
176 HG3 ARG 27 HG3 ARG 27 -5.819 -0.710 3.663
177 HD2 ARG 27 HD2 ARG 27 -5.220 1.649 4.044
178 HD3 ARG 27 HD3 ARG 27 -6.713 2.142 3.244
179 HE ARG 27 HE ARG 27 -7.269 0.365 5.376
180 HH11 ARG 27 HH12 ARG 27 -6.319 3.655 4.723
181 HH12 ARG 27 HH11 ARG 27 -7.004 4.279 6.186
182 HH21 ARG 27 HH22 ARG 27 -8.173 1.179 7.305
183 HH22 ARG 27 HH21 ARG 27 -8.057 2.872 7.653
184 H LYS 28 HN LYS 28 -6.801 -3.091 0.173
185 HA LYS 28 HA LYS 28 -8.818 -1.499 -1.252
186 HB2 LYS 28 HB2 LYS 28 -7.112 -3.696 -2.308
187 HB3 LYS 28 HB3 LYS 28 -8.796 -3.677 -2.811
188 HG2 LYS 28 HG2 LYS 28 -7.637 -2.511 -4.475
189 HG3 LYS 28 HG3 LYS 28 -8.412 -1.265 -3.496
190 HD2 LYS 28 HD2 LYS 28 -6.359 -0.764 -2.383
191 HD3 LYS 28 HD3 LYS 28 -5.562 -2.161 -3.108
192 HE2 LYS 28 HE2 LYS 28 -6.624 0.229 -4.612
193 HE3 LYS 28 HE3 LYS 28 -4.931 -0.051 -4.206
194 HZ1 LYS 28 HZ1 LYS 28 -5.010 -2.089 -5.528
195 HZ2 LYS 28 HZ2 LYS 28 -5.381 -0.730 -6.464
196 HZ3 LYS 28 HZ3 LYS 28 -6.617 -1.766 -5.950
197 HA PRO 29 HA PRO 29 -10.803 -4.389 1.784
198 HB2 PRO 29 HB2 PRO 29 -12.758 -2.178 1.871
199 HB3 PRO 29 HB3 PRO 29 -11.936 -3.003 3.199
200 HG2 PRO 29 HG2 PRO 29 -11.276 -0.507 2.521
201 HG3 PRO 29 HG3 PRO 29 -10.037 -1.678 3.021
202 HD2 PRO 29 HD2 PRO 29 -10.794 -0.789 0.257
203 HD3 PRO 29 HD3 PRO 29 -9.177 -1.021 0.961
204 H LYS 30 HN LYS 30 -12.076 -2.548 -0.927
205 HA LYS 30 HA LYS 30 -13.548 -4.821 -1.860
206 HB2 LYS 30 HB2 LYS 30 -15.726 -3.397 -1.954
207 HB3 LYS 30 HB3 LYS 30 -15.307 -4.244 -0.471
208 HG2 LYS 30 HG2 LYS 30 -16.051 -2.075 0.129
209 HG3 LYS 30 HG3 LYS 30 -14.303 -2.114 0.366
210 HD2 LYS 30 HD2 LYS 30 -13.991 -0.981 -1.784
211 HD3 LYS 30 HD3 LYS 30 -15.740 -0.947 -2.020
212 HE2 LYS 30 HE2 LYS 30 -14.235 0.385 0.230
213 HE3 LYS 30 HE3 LYS 30 -14.886 1.197 -1.193
214 HZ1 LYS 30 HZ1 LYS 30 -17.105 0.555 -0.513
215 HZ2 LYS 30 HZ2 LYS 30 -16.346 1.418 0.727
216 HZ3 LYS 30 HZ3 LYS 30 -16.492 -0.263 0.835
217 H LEU 31 HN LEU 31 -14.882 -4.187 -3.858
218 HA LEU 31 HA LEU 31 -13.304 -2.250 -5.417
219 HB2 LEU 31 HB2 LEU 31 -14.912 -4.608 -6.406
220 HB3 LEU 31 HB3 LEU 31 -13.935 -3.540 -7.394
221 HG LEU 31 HG LEU 31 -12.843 -5.344 -5.235
222 HD11 LEU 31 HD11 LEU 31 -12.006 -6.720 -7.065
223 HD12 LEU 31 HD12 LEU 31 -13.767 -6.631 -7.092
224 HD13 LEU 31 HD13 LEU 31 -12.819 -5.676 -8.232
225 HD21 LEU 31 HD21 LEU 31 -11.491 -3.347 -5.642
226 HD22 LEU 31 HD22 LEU 31 -10.675 -4.803 -6.210
227 HD23 LEU 31 HD23 LEU 31 -11.454 -3.720 -7.364
228 H THR 32 HN THR 32 -16.014 -2.241 -3.770
229 HA THR 32 HA THR 32 -17.789 -1.183 -5.829
230 HB THR 32 HB THR 32 -18.280 -1.617 -2.877
231 HG1 THR 32 HG1 THR 32 -18.297 -3.613 -3.696
232 HG21 THR 32 HG21 THR 32 -19.705 0.149 -3.770
233 HG22 THR 32 HG22 THR 32 -20.652 -1.304 -3.451
234 HG23 THR 32 HG23 THR 32 -20.190 -0.897 -5.104
235 H GLU 33 HN GLU 33 -18.066 0.912 -6.204
236 HA GLU 33 HA GLU 33 -16.732 2.843 -4.465
237 HB2 GLU 33 HB2 GLU 33 -18.036 3.289 -7.156
238 HB3 GLU 33 HB3 GLU 33 -17.004 4.420 -6.293
239 HG2 GLU 33 HG2 GLU 33 -16.169 1.759 -7.423
240 HG3 GLU 33 HG3 GLU 33 -15.802 3.345 -8.100
241 H ALA 34 HN ALA 34 -17.896 4.990 -4.188
242 HA ALA 34 HA ALA 34 -20.797 4.730 -3.988
243 HB1 ALA 34 HB1 ALA 34 -19.924 3.937 -1.833
244 HB2 ALA 34 HB2 ALA 34 -19.086 5.474 -1.616
245 HB3 ALA 34 HB3 ALA 34 -20.850 5.430 -1.663
246 HA PRO 35 HA PRO 35 -20.708 8.951 -5.279
247 HB2 PRO 35 HB2 PRO 35 -23.003 9.898 -4.164
248 HB3 PRO 35 HB3 PRO 35 -22.979 8.842 -5.581
249 HG2 PRO 35 HG2 PRO 35 -23.462 8.150 -2.709
250 HG3 PRO 35 HG3 PRO 35 -24.315 7.581 -4.157
251 HD2 PRO 35 HD2 PRO 35 -22.441 6.089 -2.915
252 HD3 PRO 35 HD3 PRO 35 -22.676 6.040 -4.674
Start of MODEL 18
1 H1 GLU 1 H1 GLU 1 15.072 -2.823 6.370
2 H2 GLU 1 H2 GLU 1 13.734 -2.813 7.403
3 H3 GLU 1 H3 GLU 1 14.140 -1.422 6.532
4 HA GLU 1 HA GLU 1 13.638 -2.503 4.460
5 HB2 GLU 1 HB2 GLU 1 14.255 -4.788 5.278
6 HB3 GLU 1 HB3 GLU 1 12.739 -4.833 6.168
7 HG2 GLU 1 HG2 GLU 1 12.507 -6.057 4.117
8 HG3 GLU 1 HG3 GLU 1 11.515 -4.602 4.045
9 H HIS 2 HN HIS 2 12.050 -2.361 7.547
10 HA HIS 2 HA HIS 2 9.657 -1.297 6.220
11 HB2 HIS 2 HB2 HIS 2 9.667 -3.273 8.510
12 HB3 HIS 2 HB3 HIS 2 8.238 -2.443 7.906
13 HD1 HIS 2 HD1 HIS 2 7.158 -3.346 5.786
14 HD2 HIS 2 HD2 HIS 2 10.703 -5.276 6.778
15 HE1 HIS 2 HE1 HIS 2 7.270 -5.361 4.285
16 HE2 HIS 2 HE2 HIS 2 9.405 -6.534 4.927
17 H LYS 3 HN LYS 3 11.911 -1.245 8.829
18 HA LYS 3 HA LYS 3 10.419 0.798 10.285
19 HB2 LYS 3 HB2 LYS 3 13.074 -0.507 10.911
20 HB3 LYS 3 HB3 LYS 3 12.211 0.607 11.961
21 HG2 LYS 3 HG2 LYS 3 11.178 -2.078 11.071
22 HG3 LYS 3 HG3 LYS 3 11.942 -1.745 12.626
23 HD2 LYS 3 HD2 LYS 3 9.438 -0.393 11.624
24 HD3 LYS 3 HD3 LYS 3 9.458 -1.775 12.720
25 HE2 LYS 3 HE2 LYS 3 10.719 0.912 13.256
26 HE3 LYS 3 HE3 LYS 3 9.186 0.349 13.920
27 HZ1 LYS 3 HZ1 LYS 3 10.371 -1.443 15.031
28 HZ2 LYS 3 HZ2 LYS 3 10.985 0.061 15.501
29 HZ3 LYS 3 HZ3 LYS 3 11.841 -0.894 14.399
30 H HIS 4 HN HIS 4 12.466 0.725 7.706
31 HA HIS 4 HA HIS 4 13.744 3.283 8.390
32 HB2 HIS 4 HB2 HIS 4 14.399 1.310 6.191
33 HB3 HIS 4 HB3 HIS 4 15.247 2.826 6.476
34 HD1 HIS 4 HD1 HIS 4 15.169 -0.691 7.485
35 HD2 HIS 4 HD2 HIS 4 16.707 2.866 8.988
36 HE1 HIS 4 HE1 HIS 4 16.843 -1.368 9.235
37 HE2 HIS 4 HE2 HIS 4 17.751 0.800 10.141
38 H SER 5 HN SER 5 12.507 4.945 7.801
39 HA SER 5 HA SER 5 11.301 4.885 5.112
40 HB2 SER 5 HB2 SER 5 9.561 4.777 6.837
41 HB3 SER 5 HB3 SER 5 10.211 6.230 7.597
42 HG SER 5 HG SER 5 9.250 6.116 4.931
43 H ASP 6 HN ASP 6 12.347 6.226 3.809
44 HA ASP 6 HA ASP 6 13.437 8.718 4.939
45 HB2 ASP 6 HB2 ASP 6 15.193 7.275 4.085
46 HB3 ASP 6 HB3 ASP 6 14.361 7.126 2.539
47 H GLU 7 HN GLU 7 12.601 7.602 1.651
48 HA GLU 7 HA GLU 7 10.426 9.390 1.324
49 HB2 GLU 7 HB2 GLU 7 12.080 11.147 1.315
50 HB3 GLU 7 HB3 GLU 7 13.089 10.258 0.182
51 HG2 GLU 7 HG2 GLU 7 11.417 10.529 -1.556
52 HG3 GLU 7 HG3 GLU 7 10.356 11.367 -0.424
53 H SER 8 HN SER 8 9.269 7.965 0.163
54 HA SER 8 HA SER 8 8.644 6.567 -1.512
55 HB2 SER 8 HB2 SER 8 10.981 7.820 -2.991
56 HB3 SER 8 HB3 SER 8 9.715 6.837 -3.726
57 HG SER 8 HG SER 8 9.376 9.332 -2.416
58 H THR 9 HN THR 9 10.961 6.147 0.459
59 HA THR 9 HA THR 9 12.903 4.461 -0.455
60 HB THR 9 HB THR 9 12.814 5.188 1.871
61 HG1 THR 9 HG1 THR 9 12.823 2.687 2.634
62 HG21 THR 9 HG21 THR 9 11.281 4.146 3.467
63 HG22 THR 9 HG22 THR 9 10.510 3.254 2.156
64 HG23 THR 9 HG23 THR 9 10.390 5.013 2.216
65 H SER 10 HN SER 10 9.526 3.895 -0.008
66 HA SER 10 HA SER 10 9.631 1.433 -1.501
67 HB2 SER 10 HB2 SER 10 8.673 1.472 1.371
68 HB3 SER 10 HB3 SER 10 8.351 0.159 0.238
69 HG SER 10 HG SER 10 10.342 -0.514 0.455
70 H GLU 11 HN GLU 11 8.244 4.298 -0.664
71 HA GLU 11 HA GLU 11 6.297 5.347 -1.183
72 HB2 GLU 11 HB2 GLU 11 5.915 2.983 -3.030
73 HB3 GLU 11 HB3 GLU 11 4.995 4.480 -3.091
74 HG2 GLU 11 HG2 GLU 11 7.070 5.708 -3.577
75 HG3 GLU 11 HG3 GLU 11 7.949 4.179 -3.581
76 H SEP 12 HN SER 12 3.747 4.585 -1.664
77 HA SEP 12 HA SER 12 3.030 3.307 0.860
78 HB2 SEP 12 HB2 SER 12 2.015 5.491 0.294
79 HB3 SEP 12 HB3 SER 12 1.286 4.769 -1.140
80 H PHE 13 HN PHE 13 4.042 1.693 -1.328
81 HA PHE 13 HA PHE 13 2.127 -0.387 -1.280
82 HB2 PHE 13 HB2 PHE 13 1.560 -0.502 -3.656
83 HB3 PHE 13 HB3 PHE 13 1.004 1.015 -2.960
84 HD1 PHE 13 HD2 PHE 13 2.226 3.115 -3.448
85 HD2 PHE 13 HD1 PHE 13 3.152 -0.547 -5.409
86 HE1 PHE 13 HE2 PHE 13 3.424 4.360 -5.199
87 HE2 PHE 13 HE1 PHE 13 4.356 0.691 -7.161
88 HZ PHE 13 HZ PHE 13 4.475 3.141 -7.074
89 H GLU 14 HN GLU 14 2.873 -2.320 -2.388
90 HA GLU 14 HA GLU 14 5.443 -2.354 -3.628
91 HB2 GLU 14 HB2 GLU 14 6.131 -2.143 -1.290
92 HB3 GLU 14 HB3 GLU 14 5.152 -3.540 -0.864
93 HG2 GLU 14 HG2 GLU 14 6.549 -4.956 -2.265
94 HG3 GLU 14 HG3 GLU 14 7.521 -3.557 -2.716
95 H SER 15 HN SER 15 2.793 -4.084 -2.129
96 HA SER 15 HA SER 15 1.791 -6.077 -2.542
97 HB2 SER 15 HB2 SER 15 1.420 -6.623 -4.906
98 HB3 SER 15 HB3 SER 15 1.206 -4.898 -4.614
99 HG SER 15 HG SER 15 2.452 -5.223 -6.466
100 H ILE 16 HN ILE 16 2.851 -7.659 -1.509
101 HA ILE 16 HA ILE 16 5.285 -8.787 -2.655
102 HB ILE 16 HB ILE 16 3.868 -9.556 -0.097
103 HG12 ILE 16 HG12 ILE 16 5.985 -8.322 0.852
104 HG13 ILE 16 HG13 ILE 16 5.957 -7.494 -0.701
105 HG21 ILE 16 HG21 ILE 16 5.283 -11.326 -0.932
106 HG22 ILE 16 HG22 ILE 16 6.625 -10.200 -1.130
107 HG23 ILE 16 HG23 ILE 16 6.030 -10.588 0.484
108 HD11 ILE 16 HD11 ILE 16 3.811 -6.580 -0.261
109 HD12 ILE 16 HD12 ILE 16 3.603 -7.602 1.162
110 HD13 ILE 16 HD13 ILE 16 4.804 -6.310 1.171
111 H ALA 17 HN ALA 17 1.914 -9.464 -2.269
112 HA ALA 17 HA ALA 17 2.149 -11.786 -3.991
113 HB1 ALA 17 HB1 ALA 17 0.901 -11.987 -1.251
114 HB2 ALA 17 HB2 ALA 17 0.856 -13.239 -2.493
115 HB3 ALA 17 HB3 ALA 17 2.396 -12.763 -1.777
116 H ASP 18 HN ASP 18 -0.723 -11.784 -2.193
117 HA ASP 18 HA ASP 18 -2.235 -9.748 -3.336
118 HB2 ASP 18 HB2 ASP 18 -3.506 -11.004 -5.063
119 HB3 ASP 18 HB3 ASP 18 -1.813 -10.781 -5.495
120 H ASN 19 HN ASN 19 -1.913 -11.375 -0.918
121 HA ASN 19 HA ASN 19 -4.729 -12.143 -0.582
122 HB2 ASN 19 HB2 ASN 19 -3.815 -13.912 1.066
123 HB3 ASN 19 HB3 ASN 19 -3.733 -14.249 -0.659
124 HD21 ASN 19 HD21 ASN 19 -1.606 -12.001 0.976
125 HD22 ASN 19 HD22 ASN 19 -0.169 -12.942 0.804
126 H ASN 20 HN ASN 20 -2.111 -10.318 0.509
127 HA ASN 20 HA ASN 20 -3.659 -9.382 2.770
128 HB2 ASN 20 HB2 ASN 20 -2.347 -11.245 3.720
129 HB3 ASN 20 HB3 ASN 20 -0.867 -10.469 3.166
130 HD21 ASN 20 HD21 ASN 20 -0.231 -8.501 4.125
131 HD22 ASN 20 HD22 ASN 20 -0.785 -8.057 5.700
132 H ASP 21 HN ASP 21 -0.641 -9.177 0.939
133 HA ASP 21 HA ASP 21 0.228 -6.669 1.747
134 HB2 ASP 21 HB2 ASP 21 1.349 -6.566 -0.500
135 HB3 ASP 21 HB3 ASP 21 1.659 -8.049 0.400
136 H ASP 22 HN ASP 22 -2.158 -7.582 -0.668
137 HA ASP 22 HA ASP 22 -2.575 -4.893 -1.582
138 HB2 ASP 22 HB2 ASP 22 -3.921 -7.535 -2.064
139 HB3 ASP 22 HB3 ASP 22 -4.659 -6.038 -2.634
140 H SER 23 HN SER 23 -2.942 -5.702 1.328
141 HA SER 23 HA SER 23 -5.604 -4.498 1.648
142 HB2 SER 23 HB2 SER 23 -5.689 -6.928 2.152
143 HB3 SER 23 HB3 SER 23 -4.460 -6.690 3.392
144 HG SER 23 HG SER 23 -6.866 -6.633 3.939
145 H TYR 24 HN TYR 24 -2.451 -5.132 3.201
146 HA TYR 24 HA TYR 24 -2.949 -2.864 4.983
147 HB2 TYR 24 HB2 TYR 24 -1.429 -3.760 6.464
148 HB3 TYR 24 HB3 TYR 24 -2.086 -5.212 5.729
149 HD1 TYR 24 HD2 TYR 24 -0.745 -6.190 3.730
150 HD2 TYR 24 HD1 TYR 24 0.876 -3.445 6.546
151 HE1 TYR 24 HE2 TYR 24 1.526 -6.904 3.110
152 HE2 TYR 24 HE1 TYR 24 3.149 -4.148 5.930
153 HH TYR 24 HH TYR 24 3.824 -6.001 3.181
154 H PHE 25 HN PHE 25 -1.915 -3.050 2.000
155 HA PHE 25 HA PHE 25 0.114 -0.951 2.386
156 HB2 PHE 25 HB2 PHE 25 0.479 -3.505 1.130
157 HB3 PHE 25 HB3 PHE 25 0.665 -2.235 -0.074
158 HD1 PHE 25 HD2 PHE 25 2.129 -0.172 0.813
159 HD2 PHE 25 HD1 PHE 25 2.356 -4.172 2.246
160 HE1 PHE 25 HE2 PHE 25 4.415 0.251 1.618
161 HE2 PHE 25 HE1 PHE 25 4.643 -3.757 3.055
162 HZ PHE 25 HZ PHE 25 5.676 -1.543 2.740
163 H GLN 26 HN GLN 26 -2.074 -2.441 0.004
164 HA GLN 26 HA GLN 26 -2.376 0.183 -1.279
165 HB2 GLN 26 HB2 GLN 26 -3.071 -2.592 -2.256
166 HB3 GLN 26 HB3 GLN 26 -3.401 -1.113 -3.149
167 HG2 GLN 26 HG2 GLN 26 -1.029 -0.634 -3.282
168 HG3 GLN 26 HG3 GLN 26 -0.668 -2.066 -2.320
169 HE21 GLN 26 HE21 GLN 26 -1.699 -0.869 -5.412
170 HE22 GLN 26 HE22 GLN 26 -1.492 -2.346 -6.283
171 H ARG 27 HN ARG 27 -4.055 -2.211 0.559
172 HA ARG 27 HA ARG 27 -6.142 -2.326 1.441
173 HB2 ARG 27 HB2 ARG 27 -6.124 0.644 0.877
174 HB3 ARG 27 HB3 ARG 27 -7.305 -0.182 1.884
175 HG2 ARG 27 HG2 ARG 27 -5.515 -0.862 3.412
176 HG3 ARG 27 HG3 ARG 27 -4.345 -0.002 2.409
177 HD2 ARG 27 HD2 ARG 27 -5.467 2.099 2.849
178 HD3 ARG 27 HD3 ARG 27 -6.719 1.267 3.770
179 HE ARG 27 HE ARG 27 -4.028 0.882 4.747
180 HH11 ARG 27 HH12 ARG 27 -6.941 2.786 4.929
181 HH12 ARG 27 HH11 ARG 27 -6.591 3.405 6.509
182 HH21 ARG 27 HH22 ARG 27 -3.561 1.690 6.825
183 HH22 ARG 27 HH21 ARG 27 -4.669 2.784 7.586
184 H LYS 28 HN LYS 28 -6.659 -3.576 -0.523
185 HA LYS 28 HA LYS 28 -8.700 -2.228 -2.120
186 HB2 LYS 28 HB2 LYS 28 -6.821 -4.413 -2.979
187 HB3 LYS 28 HB3 LYS 28 -8.151 -3.783 -3.952
188 HG2 LYS 28 HG2 LYS 28 -5.866 -2.163 -2.903
189 HG3 LYS 28 HG3 LYS 28 -5.998 -2.779 -4.554
190 HD2 LYS 28 HD2 LYS 28 -8.158 -1.529 -4.724
191 HD3 LYS 28 HD3 LYS 28 -7.788 -0.815 -3.153
192 HE2 LYS 28 HE2 LYS 28 -6.067 -0.586 -5.625
193 HE3 LYS 28 HE3 LYS 28 -7.166 0.660 -5.034
194 HZ1 LYS 28 HZ1 LYS 28 -4.833 -0.414 -3.544
195 HZ2 LYS 28 HZ2 LYS 28 -5.873 0.809 -3.010
196 HZ3 LYS 28 HZ3 LYS 28 -4.880 1.071 -4.354
197 HA PRO 29 HA PRO 29 -10.732 -5.727 0.162
198 HB2 PRO 29 HB2 PRO 29 -12.924 -3.842 0.559
199 HB3 PRO 29 HB3 PRO 29 -11.965 -4.703 1.765
200 HG2 PRO 29 HG2 PRO 29 -11.779 -2.028 1.403
201 HG3 PRO 29 HG3 PRO 29 -10.403 -3.021 1.918
202 HD2 PRO 29 HD2 PRO 29 -11.058 -1.964 -0.811
203 HD3 PRO 29 HD3 PRO 29 -9.493 -2.018 0.027
204 H LYS 30 HN LYS 30 -12.014 -3.390 -2.145
205 HA LYS 30 HA LYS 30 -13.906 -5.402 -3.144
206 HB2 LYS 30 HB2 LYS 30 -14.875 -3.438 -4.407
207 HB3 LYS 30 HB3 LYS 30 -15.021 -3.364 -2.657
208 HG2 LYS 30 HG2 LYS 30 -13.216 -1.798 -2.509
209 HG3 LYS 30 HG3 LYS 30 -12.864 -1.973 -4.228
210 HD2 LYS 30 HD2 LYS 30 -15.064 -1.034 -4.766
211 HD3 LYS 30 HD3 LYS 30 -15.406 -0.854 -3.042
212 HE2 LYS 30 HE2 LYS 30 -13.152 0.483 -4.536
213 HE3 LYS 30 HE3 LYS 30 -14.666 1.254 -4.064
214 HZ1 LYS 30 HZ1 LYS 30 -14.107 0.860 -1.749
215 HZ2 LYS 30 HZ2 LYS 30 -12.889 1.757 -2.506
216 HZ3 LYS 30 HZ3 LYS 30 -12.658 0.110 -2.198
217 H LEU 31 HN LEU 31 -14.079 -5.770 -5.425
218 HA LEU 31 HA LEU 31 -11.546 -5.279 -6.847
219 HB2 LEU 31 HB2 LEU 31 -13.551 -7.495 -7.276
220 HB3 LEU 31 HB3 LEU 31 -12.042 -7.294 -8.146
221 HG LEU 31 HG LEU 31 -12.284 -7.857 -5.188
222 HD11 LEU 31 HD11 LEU 31 -11.455 -9.649 -7.466
223 HD12 LEU 31 HD12 LEU 31 -11.413 -10.065 -5.752
224 HD13 LEU 31 HD13 LEU 31 -12.957 -9.764 -6.550
225 HD21 LEU 31 HD21 LEU 31 -9.869 -7.692 -6.986
226 HD22 LEU 31 HD22 LEU 31 -10.301 -6.555 -5.709
227 HD23 LEU 31 HD23 LEU 31 -9.860 -8.213 -5.302
228 H THR 32 HN THR 32 -15.060 -5.475 -7.258
229 HA THR 32 HA THR 32 -14.789 -3.907 -9.739
230 HB THR 32 HB THR 32 -17.062 -4.758 -10.320
231 HG1 THR 32 HG1 THR 32 -16.960 -5.651 -7.794
232 HG21 THR 32 HG21 THR 32 -14.952 -6.863 -9.829
233 HG22 THR 32 HG22 THR 32 -15.080 -5.825 -11.250
234 HG23 THR 32 HG23 THR 32 -16.326 -7.028 -10.922
235 H GLU 33 HN GLU 33 -16.381 -2.263 -10.147
236 HA GLU 33 HA GLU 33 -16.930 -0.675 -7.845
237 HB2 GLU 33 HB2 GLU 33 -16.374 0.320 -10.020
238 HB3 GLU 33 HB3 GLU 33 -17.854 -0.335 -10.704
239 HG2 GLU 33 HG2 GLU 33 -19.174 1.043 -9.185
240 HG3 GLU 33 HG3 GLU 33 -17.692 1.697 -8.490
241 H ALA 34 HN ALA 34 -18.872 -0.159 -6.886
242 HA ALA 34 HA ALA 34 -21.356 -1.256 -7.846
243 HB1 ALA 34 HB1 ALA 34 -21.824 -2.614 -5.868
244 HB2 ALA 34 HB2 ALA 34 -20.410 -3.211 -6.736
245 HB3 ALA 34 HB3 ALA 34 -20.206 -2.279 -5.253
246 HA PRO 35 HA PRO 35 -22.517 2.445 -5.627
247 HB2 PRO 35 HB2 PRO 35 -25.150 2.429 -6.174
248 HB3 PRO 35 HB3 PRO 35 -23.942 2.807 -7.409
249 HG2 PRO 35 HG2 PRO 35 -25.410 0.246 -6.913
250 HG3 PRO 35 HG3 PRO 35 -25.045 1.047 -8.451
251 HD2 PRO 35 HD2 PRO 35 -23.602 -1.053 -7.454
252 HD3 PRO 35 HD3 PRO 35 -22.929 0.174 -8.544
Start of MODEL 19
1 H1 GLU 1 H1 GLU 1 26.243 -5.781 -3.519
2 H2 GLU 1 H2 GLU 1 24.786 -6.519 -3.960
3 H3 GLU 1 H3 GLU 1 24.940 -5.799 -2.438
4 HA GLU 1 HA GLU 1 25.178 -3.631 -3.438
5 HB2 GLU 1 HB2 GLU 1 26.210 -4.374 -5.537
6 HB3 GLU 1 HB3 GLU 1 24.700 -5.130 -6.023
7 HG2 GLU 1 HG2 GLU 1 25.057 -2.989 -7.139
8 HG3 GLU 1 HG3 GLU 1 23.613 -2.972 -6.128
9 H HIS 2 HN HIS 2 23.406 -3.032 -2.355
10 HA HIS 2 HA HIS 2 20.831 -3.397 -3.642
11 HB2 HIS 2 HB2 HIS 2 19.766 -4.119 -1.483
12 HB3 HIS 2 HB3 HIS 2 20.819 -5.325 -2.217
13 HD1 HIS 2 HD1 HIS 2 20.588 -3.003 0.717
14 HD2 HIS 2 HD2 HIS 2 23.079 -5.998 -0.730
15 HE1 HIS 2 HE1 HIS 2 22.154 -3.548 2.609
16 HE2 HIS 2 HE2 HIS 2 23.663 -5.351 1.706
17 H LYS 3 HN LYS 3 19.571 -1.637 -3.433
18 HA LYS 3 HA LYS 3 19.669 0.112 -1.187
19 HB2 LYS 3 HB2 LYS 3 20.638 2.058 -2.180
20 HB3 LYS 3 HB3 LYS 3 21.775 0.737 -2.396
21 HG2 LYS 3 HG2 LYS 3 19.862 1.690 -4.519
22 HG3 LYS 3 HG3 LYS 3 21.542 2.209 -4.377
23 HD2 LYS 3 HD2 LYS 3 22.245 -0.156 -4.608
24 HD3 LYS 3 HD3 LYS 3 20.556 -0.603 -4.855
25 HE2 LYS 3 HE2 LYS 3 20.476 0.862 -6.828
26 HE3 LYS 3 HE3 LYS 3 22.178 1.256 -6.589
27 HZ1 LYS 3 HZ1 LYS 3 22.716 -1.087 -6.903
28 HZ2 LYS 3 HZ2 LYS 3 21.919 -0.456 -8.256
29 HZ3 LYS 3 HZ3 LYS 3 21.084 -1.444 -7.166
30 H HIS 4 HN HIS 4 18.105 1.809 -1.298
31 HA HIS 4 HA HIS 4 16.482 2.253 -3.579
32 HB2 HIS 4 HB2 HIS 4 15.655 0.008 -3.057
33 HB3 HIS 4 HB3 HIS 4 15.294 0.509 -1.409
34 HD1 HIS 4 HD1 HIS 4 14.024 0.717 -4.906
35 HD2 HIS 4 HD2 HIS 4 12.977 2.089 -1.125
36 HE1 HIS 4 HE1 HIS 4 11.667 1.564 -5.128
37 HE2 HIS 4 HE2 HIS 4 11.048 2.376 -2.824
38 H SER 5 HN SER 5 16.252 4.369 -3.272
39 HA SER 5 HA SER 5 14.758 5.317 -0.995
40 HB2 SER 5 HB2 SER 5 17.592 6.277 -1.458
41 HB3 SER 5 HB3 SER 5 16.443 7.025 -0.348
42 HG SER 5 HG SER 5 16.444 5.152 0.874
43 H ASP 6 HN ASP 6 13.420 5.599 -2.970
44 HA ASP 6 HA ASP 6 14.165 7.621 -4.864
45 HB2 ASP 6 HB2 ASP 6 12.642 5.713 -5.401
46 HB3 ASP 6 HB3 ASP 6 11.429 6.436 -4.350
47 H GLU 7 HN GLU 7 12.046 7.449 -2.039
48 HA GLU 7 HA GLU 7 12.349 10.182 -1.405
49 HB2 GLU 7 HB2 GLU 7 10.839 10.350 -3.426
50 HB3 GLU 7 HB3 GLU 7 9.616 9.494 -2.499
51 HG2 GLU 7 HG2 GLU 7 10.854 12.077 -1.591
52 HG3 GLU 7 HG3 GLU 7 9.400 11.997 -2.583
53 H SER 8 HN SER 8 9.514 8.038 -1.271
54 HA SER 8 HA SER 8 9.647 8.160 1.658
55 HB2 SER 8 HB2 SER 8 7.274 7.279 1.503
56 HB3 SER 8 HB3 SER 8 7.518 8.894 0.839
57 HG SER 8 HG SER 8 7.771 7.774 -1.242
58 H THR 9 HN THR 9 11.062 6.421 -0.447
59 HA THR 9 HA THR 9 11.753 4.288 -0.742
60 HB THR 9 HB THR 9 12.299 3.058 1.222
61 HG1 THR 9 HG1 THR 9 11.148 3.156 3.019
62 HG21 THR 9 HG21 THR 9 13.405 4.773 2.598
63 HG22 THR 9 HG22 THR 9 12.447 6.015 1.792
64 HG23 THR 9 HG23 THR 9 13.617 5.067 0.873
65 H SER 10 HN SER 10 10.176 3.527 -2.111
66 HA SER 10 HA SER 10 8.553 2.126 -2.851
67 HB2 SER 10 HB2 SER 10 9.756 0.455 -1.486
68 HB3 SER 10 HB3 SER 10 8.765 0.890 -0.095
69 HG SER 10 HG SER 10 7.496 0.144 -2.477
70 H GLU 11 HN GLU 11 8.030 4.509 -0.838
71 HA GLU 11 HA GLU 11 6.236 5.570 0.061
72 HB2 GLU 11 HB2 GLU 11 5.566 5.593 -2.278
73 HB3 GLU 11 HB3 GLU 11 4.801 4.024 -2.094
74 HG2 GLU 11 HG2 GLU 11 3.158 5.807 -2.091
75 HG3 GLU 11 HG3 GLU 11 3.192 4.980 -0.534
76 H SEP 12 HN SER 12 4.111 2.963 -0.766
77 HA SEP 12 HA SER 12 4.228 1.657 1.776
78 HB2 SEP 12 HB2 SER 12 3.013 3.721 2.398
79 HB3 SEP 12 HB3 SER 12 1.796 3.362 1.174
80 H PHE 13 HN PHE 13 4.121 1.227 -1.224
81 HA PHE 13 HA PHE 13 2.314 -1.047 -1.118
82 HB2 PHE 13 HB2 PHE 13 1.242 -0.482 -3.268
83 HB3 PHE 13 HB3 PHE 13 0.880 0.708 -2.023
84 HD1 PHE 13 HD2 PHE 13 1.910 2.931 -2.097
85 HD2 PHE 13 HD1 PHE 13 2.484 0.097 -5.220
86 HE1 PHE 13 HE2 PHE 13 2.698 4.729 -3.579
87 HE2 PHE 13 HE1 PHE 13 3.274 1.892 -6.708
88 HZ PHE 13 HZ PHE 13 3.381 4.212 -5.888
89 H GLU 14 HN GLU 14 2.928 -2.731 -2.414
90 HA GLU 14 HA GLU 14 4.872 -2.446 -4.486
91 HB2 GLU 14 HB2 GLU 14 6.324 -2.336 -2.501
92 HB3 GLU 14 HB3 GLU 14 5.668 -3.867 -1.938
93 HG2 GLU 14 HG2 GLU 14 6.573 -4.981 -3.907
94 HG3 GLU 14 HG3 GLU 14 7.233 -3.445 -4.469
95 H SER 15 HN SER 15 2.641 -4.198 -2.607
96 HA SER 15 HA SER 15 1.574 -6.190 -2.823
97 HB2 SER 15 HB2 SER 15 0.843 -6.750 -5.094
98 HB3 SER 15 HB3 SER 15 0.715 -5.018 -4.804
99 HG SER 15 HG SER 15 1.667 -5.482 -6.831
100 H ILE 16 HN ILE 16 2.984 -7.601 -1.850
101 HA ILE 16 HA ILE 16 5.194 -8.770 -3.247
102 HB ILE 16 HB ILE 16 3.866 -9.700 -0.697
103 HG12 ILE 16 HG12 ILE 16 6.301 -7.937 -1.042
104 HG13 ILE 16 HG13 ILE 16 4.694 -7.341 -0.637
105 HG21 ILE 16 HG21 ILE 16 6.594 -10.289 -1.843
106 HG22 ILE 16 HG22 ILE 16 6.015 -10.806 -0.260
107 HG23 ILE 16 HG23 ILE 16 5.246 -11.418 -1.724
108 HD11 ILE 16 HD11 ILE 16 6.104 -7.509 1.332
109 HD12 ILE 16 HD12 ILE 16 4.740 -8.624 1.437
110 HD13 ILE 16 HD13 ILE 16 6.345 -9.229 1.026
111 H ALA 17 HN ALA 17 1.853 -9.606 -2.652
112 HA ALA 17 HA ALA 17 1.940 -11.614 -4.709
113 HB1 ALA 17 HB1 ALA 17 1.355 -12.437 -1.867
114 HB2 ALA 17 HB2 ALA 17 1.088 -13.443 -3.292
115 HB3 ALA 17 HB3 ALA 17 2.724 -12.949 -2.855
116 H ASP 18 HN ASP 18 -0.384 -11.900 -2.140
117 HA ASP 18 HA ASP 18 -2.293 -10.023 -2.880
118 HB2 ASP 18 HB2 ASP 18 -3.887 -11.407 -4.172
119 HB3 ASP 18 HB3 ASP 18 -2.386 -11.133 -5.048
120 H ASN 19 HN ASN 19 -1.169 -11.672 -0.663
121 HA ASN 19 HA ASN 19 -3.739 -12.533 0.485
122 HB2 ASN 19 HB2 ASN 19 -2.560 -14.340 1.677
123 HB3 ASN 19 HB3 ASN 19 -2.437 -14.524 -0.070
124 HD21 ASN 19 HD21 ASN 19 -0.742 -13.777 2.862
125 HD22 ASN 19 HD22 ASN 19 0.854 -13.897 2.211
126 H ASN 20 HN ASN 20 -1.485 -10.254 0.642
127 HA ASN 20 HA ASN 20 -2.034 -9.700 3.438
128 HB2 ASN 20 HB2 ASN 20 -0.005 -10.937 3.713
129 HB3 ASN 20 HB3 ASN 20 0.768 -10.087 2.377
130 HD21 ASN 20 HD21 ASN 20 1.116 -7.775 2.654
131 HD22 ASN 20 HD22 ASN 20 1.438 -7.153 4.230
132 H ASP 21 HN ASP 21 0.285 -8.542 1.011
133 HA ASP 21 HA ASP 21 0.063 -5.847 1.584
134 HB2 ASP 21 HB2 ASP 21 0.697 -7.058 -1.115
135 HB3 ASP 21 HB3 ASP 21 1.131 -5.444 -0.564
136 H ASP 22 HN ASP 22 -1.894 -7.936 -0.389
137 HA ASP 22 HA ASP 22 -3.399 -5.777 -1.562
138 HB2 ASP 22 HB2 ASP 22 -3.601 -8.775 -1.598
139 HB3 ASP 22 HB3 ASP 22 -4.909 -7.779 -2.235
140 H SER 23 HN SER 23 -3.168 -6.116 1.395
141 HA SER 23 HA SER 23 -6.049 -6.135 1.980
142 HB2 SER 23 HB2 SER 23 -4.876 -8.196 2.837
143 HB3 SER 23 HB3 SER 23 -3.926 -7.140 3.881
144 HG SER 23 HG SER 23 -6.041 -6.372 4.665
145 H TYR 24 HN TYR 24 -2.817 -4.927 2.927
146 HA TYR 24 HA TYR 24 -4.192 -2.507 3.865
147 HB2 TYR 24 HB2 TYR 24 -2.815 -2.381 5.866
148 HB3 TYR 24 HB3 TYR 24 -3.800 -3.834 5.861
149 HD1 TYR 24 HD2 TYR 24 -2.699 -6.032 5.289
150 HD2 TYR 24 HD1 TYR 24 -0.471 -2.485 6.037
151 HE1 TYR 24 HE2 TYR 24 -0.690 -7.386 5.699
152 HE2 TYR 24 HE1 TYR 24 1.545 -3.831 6.450
153 HH TYR 24 HH TYR 24 1.761 -7.113 5.643
154 H PHE 25 HN PHE 25 -2.018 -3.606 1.758
155 HA PHE 25 HA PHE 25 -0.277 -1.248 2.049
156 HB2 PHE 25 HB2 PHE 25 0.239 -3.986 0.988
157 HB3 PHE 25 HB3 PHE 25 1.120 -2.642 0.279
158 HD1 PHE 25 HD2 PHE 25 1.619 -0.925 2.599
159 HD2 PHE 25 HD1 PHE 25 1.784 -5.163 2.241
160 HE1 PHE 25 HE2 PHE 25 3.244 -1.015 4.444
161 HE2 PHE 25 HE1 PHE 25 3.407 -5.259 4.084
162 HZ PHE 25 HZ PHE 25 4.140 -3.183 5.188
163 H GLN 26 HN GLN 26 -2.426 -2.962 -0.111
164 HA GLN 26 HA GLN 26 -2.365 -0.630 -1.882
165 HB2 GLN 26 HB2 GLN 26 -2.299 -1.985 -3.878
166 HB3 GLN 26 HB3 GLN 26 -0.911 -2.373 -2.872
167 HG2 GLN 26 HG2 GLN 26 -1.524 -4.478 -3.373
168 HG3 GLN 26 HG3 GLN 26 -2.599 -4.243 -1.996
169 HE21 GLN 26 HE21 GLN 26 -4.800 -3.981 -2.344
170 HE22 GLN 26 HE22 GLN 26 -5.549 -4.328 -3.862
171 H ARG 27 HN ARG 27 -4.170 -2.675 -0.020
172 HA ARG 27 HA ARG 27 -6.506 -2.888 -1.671
173 HB2 ARG 27 HB2 ARG 27 -5.665 -4.231 0.516
174 HB3 ARG 27 HB3 ARG 27 -6.783 -3.105 1.270
175 HG2 ARG 27 HG2 ARG 27 -7.440 -5.014 -0.963
176 HG3 ARG 27 HG3 ARG 27 -7.868 -5.214 0.736
177 HD2 ARG 27 HD2 ARG 27 -9.211 -3.164 0.627
178 HD3 ARG 27 HD3 ARG 27 -8.792 -2.986 -1.076
179 HE ARG 27 HE ARG 27 -10.069 -5.484 -0.350
180 HH11 ARG 27 HH12 ARG 27 -10.466 -2.236 -1.556
181 HH12 ARG 27 HH11 ARG 27 -11.993 -2.564 -2.304
182 HH21 ARG 27 HH22 ARG 27 -12.074 -5.925 -1.339
183 HH22 ARG 27 HH21 ARG 27 -12.906 -4.663 -2.184
184 H LYS 28 HN LYS 28 -6.140 -0.404 -2.041
185 HA LYS 28 HA LYS 28 -6.894 1.721 -1.829
186 HB2 LYS 28 HB2 LYS 28 -9.208 0.204 -0.639
187 HB3 LYS 28 HB3 LYS 28 -9.258 1.928 -0.996
188 HG2 LYS 28 HG2 LYS 28 -8.496 -0.051 -3.092
189 HG3 LYS 28 HG3 LYS 28 -10.194 0.284 -2.731
190 HD2 LYS 28 HD2 LYS 28 -9.869 2.624 -3.239
191 HD3 LYS 28 HD3 LYS 28 -8.138 2.366 -3.470
192 HE2 LYS 28 HE2 LYS 28 -9.275 2.503 -5.614
193 HE3 LYS 28 HE3 LYS 28 -8.616 0.887 -5.361
194 HZ1 LYS 28 HZ1 LYS 28 -11.449 1.687 -4.964
195 HZ2 LYS 28 HZ2 LYS 28 -10.822 0.139 -4.699
196 HZ3 LYS 28 HZ3 LYS 28 -10.846 0.784 -6.262
197 HA PRO 29 HA PRO 29 -5.508 2.074 2.596
198 HB2 PRO 29 HB2 PRO 29 -3.599 4.008 1.508
199 HB3 PRO 29 HB3 PRO 29 -3.294 2.554 2.460
200 HG2 PRO 29 HG2 PRO 29 -2.638 2.733 -0.152
201 HG3 PRO 29 HG3 PRO 29 -3.139 1.208 0.601
202 HD2 PRO 29 HD2 PRO 29 -4.728 3.094 -1.102
203 HD3 PRO 29 HD3 PRO 29 -4.689 1.317 -1.123
204 H LYS 30 HN LYS 30 -5.446 4.772 0.257
205 HA LYS 30 HA LYS 30 -6.332 6.668 2.220
206 HB2 LYS 30 HB2 LYS 30 -6.330 8.269 0.372
207 HB3 LYS 30 HB3 LYS 30 -4.837 7.340 0.398
208 HG2 LYS 30 HG2 LYS 30 -5.678 5.927 -1.404
209 HG3 LYS 30 HG3 LYS 30 -7.183 6.847 -1.425
210 HD2 LYS 30 HD2 LYS 30 -5.910 8.877 -1.990
211 HD3 LYS 30 HD3 LYS 30 -4.425 7.922 -2.017
212 HE2 LYS 30 HE2 LYS 30 -5.352 6.551 -3.826
213 HE3 LYS 30 HE3 LYS 30 -6.825 7.520 -3.801
214 HZ1 LYS 30 HZ1 LYS 30 -4.104 8.530 -4.435
215 HZ2 LYS 30 HZ2 LYS 30 -5.518 9.457 -4.416
216 HZ3 LYS 30 HZ3 LYS 30 -5.331 8.226 -5.560
217 H LEU 31 HN LEU 31 -8.233 8.119 1.702
218 HA LEU 31 HA LEU 31 -10.494 6.531 0.678
219 HB2 LEU 31 HB2 LEU 31 -10.681 8.510 2.943
220 HB3 LEU 31 HB3 LEU 31 -11.907 7.380 2.405
221 HG LEU 31 HG LEU 31 -9.299 6.609 3.716
222 HD11 LEU 31 HD11 LEU 31 -12.100 6.613 4.829
223 HD12 LEU 31 HD12 LEU 31 -10.646 6.055 5.655
224 HD13 LEU 31 HD13 LEU 31 -10.829 7.761 5.247
225 HD21 LEU 31 HD21 LEU 31 -11.706 4.939 2.993
226 HD22 LEU 31 HD22 LEU 31 -10.151 4.916 2.160
227 HD23 LEU 31 HD23 LEU 31 -10.262 4.378 3.835
228 H THR 32 HN THR 32 -12.175 7.697 -0.341
229 HA THR 32 HA THR 32 -13.020 9.266 -1.758
230 HB THR 32 HB THR 32 -11.587 11.209 0.065
231 HG1 THR 32 HG1 THR 32 -13.795 9.664 0.394
232 HG21 THR 32 HG21 THR 32 -12.183 12.265 -2.039
233 HG22 THR 32 HG22 THR 32 -13.253 12.837 -0.760
234 HG23 THR 32 HG23 THR 32 -13.826 11.637 -1.917
235 H GLU 33 HN GLU 33 -12.017 8.838 -3.668
236 HA GLU 33 HA GLU 33 -9.350 9.906 -4.167
237 HB2 GLU 33 HB2 GLU 33 -11.131 8.219 -5.936
238 HB3 GLU 33 HB3 GLU 33 -9.457 8.641 -6.266
239 HG2 GLU 33 HG2 GLU 33 -8.743 7.395 -4.299
240 HG3 GLU 33 HG3 GLU 33 -10.421 6.987 -3.943
241 H ALA 34 HN ALA 34 -8.992 10.917 -6.368
242 HA ALA 34 HA ALA 34 -11.239 12.663 -7.115
243 HB1 ALA 34 HB1 ALA 34 -9.716 13.916 -5.671
244 HB2 ALA 34 HB2 ALA 34 -8.379 13.552 -6.764
245 HB3 ALA 34 HB3 ALA 34 -9.721 14.555 -7.316
246 HA PRO 35 HA PRO 35 -9.712 10.579 -10.932
247 HB2 PRO 35 HB2 PRO 35 -12.082 10.932 -12.268
248 HB3 PRO 35 HB3 PRO 35 -11.730 9.544 -11.232
249 HG2 PRO 35 HG2 PRO 35 -13.272 12.032 -10.609
250 HG3 PRO 35 HG3 PRO 35 -13.638 10.350 -10.179
251 HD2 PRO 35 HD2 PRO 35 -12.569 12.061 -8.405
252 HD3 PRO 35 HD3 PRO 35 -12.131 10.340 -8.422
Start of MODEL 20
1 H1 GLU 1 H1 GLU 1 -5.922 11.557 -9.092
2 H2 GLU 1 H2 GLU 1 -6.193 12.331 -10.571
3 H3 GLU 1 H3 GLU 1 -4.680 12.448 -9.819
4 HA GLU 1 HA GLU 1 -5.901 9.975 -10.898
5 HB2 GLU 1 HB2 GLU 1 -5.138 11.539 -12.640
6 HB3 GLU 1 HB3 GLU 1 -3.555 11.614 -11.880
7 HG2 GLU 1 HG2 GLU 1 -3.520 10.153 -13.808
8 HG3 GLU 1 HG3 GLU 1 -3.217 9.241 -12.329
9 H HIS 2 HN HIS 2 -3.262 11.518 -9.162
10 HA HIS 2 HA HIS 2 -2.257 8.846 -8.433
11 HB2 HIS 2 HB2 HIS 2 -0.733 11.451 -8.643
12 HB3 HIS 2 HB3 HIS 2 -0.058 9.937 -8.050
13 HD1 HIS 2 HD1 HIS 2 -0.806 11.794 -11.137
14 HD2 HIS 2 HD2 HIS 2 0.213 7.910 -10.071
15 HE1 HIS 2 HE1 HIS 2 -0.096 10.675 -13.274
16 HE2 HIS 2 HE2 HIS 2 0.594 8.350 -12.592
17 H LYS 3 HN LYS 3 -2.183 8.316 -6.336
18 HA LYS 3 HA LYS 3 -2.878 10.404 -4.380
19 HB2 LYS 3 HB2 LYS 3 -3.770 8.566 -2.982
20 HB3 LYS 3 HB3 LYS 3 -4.594 8.704 -4.529
21 HG2 LYS 3 HG2 LYS 3 -3.206 6.849 -5.389
22 HG3 LYS 3 HG3 LYS 3 -2.499 6.678 -3.780
23 HD2 LYS 3 HD2 LYS 3 -4.715 6.217 -2.855
24 HD3 LYS 3 HD3 LYS 3 -5.426 6.398 -4.460
25 HE2 LYS 3 HE2 LYS 3 -5.138 4.052 -3.942
26 HE3 LYS 3 HE3 LYS 3 -4.057 4.516 -5.255
27 HZ1 LYS 3 HZ1 LYS 3 -3.288 4.214 -2.401
28 HZ2 LYS 3 HZ2 LYS 3 -2.249 4.673 -3.653
29 HZ3 LYS 3 HZ3 LYS 3 -2.928 3.124 -3.644
30 H HIS 4 HN HIS 4 -0.325 8.682 -5.491
31 HA HIS 4 HA HIS 4 0.929 8.267 -2.884
32 HB2 HIS 4 HB2 HIS 4 1.065 6.518 -4.694
33 HB3 HIS 4 HB3 HIS 4 2.052 7.644 -5.619
34 HD1 HIS 4 HD1 HIS 4 2.131 5.951 -2.214
35 HD2 HIS 4 HD2 HIS 4 4.704 7.390 -5.141
36 HE1 HIS 4 HE1 HIS 4 4.442 5.315 -1.450
37 HE2 HIS 4 HE2 HIS 4 5.983 6.193 -3.239
38 H SER 5 HN SER 5 1.382 10.055 -5.890
39 HA SER 5 HA SER 5 2.568 11.914 -6.425
40 HB2 SER 5 HB2 SER 5 1.131 12.897 -4.680
41 HB3 SER 5 HB3 SER 5 2.341 12.491 -3.463
42 HG SER 5 HG SER 5 2.576 14.640 -4.132
43 H ASP 6 HN ASP 6 3.977 9.430 -5.255
44 HA ASP 6 HA ASP 6 6.119 8.738 -4.948
45 HB2 ASP 6 HB2 ASP 6 6.637 9.999 -6.948
46 HB3 ASP 6 HB3 ASP 6 6.743 11.494 -6.024
47 H GLU 7 HN GLU 7 6.972 8.399 -3.017
48 HA GLU 7 HA GLU 7 7.844 10.651 -1.390
49 HB2 GLU 7 HB2 GLU 7 5.875 8.583 -0.395
50 HB3 GLU 7 HB3 GLU 7 6.735 9.712 0.642
51 HG2 GLU 7 HG2 GLU 7 5.667 11.582 -0.534
52 HG3 GLU 7 HG3 GLU 7 4.776 10.430 -1.528
53 H SER 8 HN SER 8 7.249 7.330 -0.369
54 HA SER 8 HA SER 8 10.106 7.013 0.147
55 HB2 SER 8 HB2 SER 8 7.758 5.252 0.905
56 HB3 SER 8 HB3 SER 8 9.429 4.996 1.406
57 HG SER 8 HG SER 8 8.238 7.475 1.921
58 H THR 9 HN THR 9 7.814 6.281 -2.192
59 HA THR 9 HA THR 9 7.810 5.030 -4.084
60 HB THR 9 HB THR 9 10.757 4.552 -3.670
61 HG1 THR 9 HG1 THR 9 9.550 6.866 -4.818
62 HG21 THR 9 HG21 THR 9 9.742 3.402 -5.567
63 HG22 THR 9 HG22 THR 9 10.803 4.692 -6.131
64 HG23 THR 9 HG23 THR 9 9.054 4.921 -6.139
65 H SER 10 HN SER 10 7.994 3.787 -1.195
66 HA SER 10 HA SER 10 7.665 1.067 -2.112
67 HB2 SER 10 HB2 SER 10 9.829 1.776 -0.117
68 HB3 SER 10 HB3 SER 10 9.283 0.136 -0.467
69 HG SER 10 HG SER 10 11.156 1.432 -1.707
70 H GLU 11 HN GLU 11 6.769 3.593 -0.264
71 HA GLU 11 HA GLU 11 6.060 2.537 2.212
72 HB2 GLU 11 HB2 GLU 11 5.983 4.945 1.611
73 HB3 GLU 11 HB3 GLU 11 4.557 4.619 0.636
74 HG2 GLU 11 HG2 GLU 11 3.376 3.863 2.657
75 HG3 GLU 11 HG3 GLU 11 4.800 4.269 3.616
76 H SEP 12 HN SER 12 3.832 3.140 -0.437
77 HA SEP 12 HA SER 12 2.052 1.066 0.578
78 HB2 SEP 12 HB2 SER 12 1.082 3.251 -0.002
79 HB3 SEP 12 HB3 SER 12 1.652 3.067 -1.660
80 H PHE 13 HN PHE 13 4.647 0.551 -0.849
81 HA PHE 13 HA PHE 13 3.584 -1.429 -2.708
82 HB2 PHE 13 HB2 PHE 13 4.446 0.910 -3.760
83 HB3 PHE 13 HB3 PHE 13 5.963 0.018 -3.714
84 HD1 PHE 13 HD1 PHE 13 2.408 -0.539 -4.714
85 HD2 PHE 13 HD2 PHE 13 6.525 -1.177 -5.585
86 HE1 PHE 13 HE1 PHE 13 1.784 -1.698 -6.792
87 HE2 PHE 13 HE2 PHE 13 5.909 -2.336 -7.665
88 HZ PHE 13 HZ PHE 13 3.541 -2.588 -8.278
89 H GLU 14 HN GLU 14 6.261 -1.992 -3.755
90 HA GLU 14 HA GLU 14 8.064 -3.295 -3.298
91 HB2 GLU 14 HB2 GLU 14 8.605 -1.282 -1.845
92 HB3 GLU 14 HB3 GLU 14 7.958 -2.194 -0.490
93 HG2 GLU 14 HG2 GLU 14 9.644 -3.920 -0.838
94 HG3 GLU 14 HG3 GLU 14 10.284 -3.021 -2.212
95 H SER 15 HN SER 15 5.145 -3.922 -2.366
96 HA SER 15 HA SER 15 5.846 -6.260 -0.712
97 HB2 SER 15 HB2 SER 15 3.507 -6.232 0.077
98 HB3 SER 15 HB3 SER 15 4.332 -4.716 0.439
99 HG SER 15 HG SER 15 2.275 -5.244 -1.367
100 H ILE 16 HN ILE 16 4.447 -8.177 -1.041
101 HA ILE 16 HA ILE 16 4.456 -8.979 -3.751
102 HB ILE 16 HB ILE 16 3.004 -10.281 -1.441
103 HG12 ILE 16 HG12 ILE 16 5.774 -10.884 -2.495
104 HG13 ILE 16 HG13 ILE 16 5.465 -9.880 -1.083
105 HG21 ILE 16 HG21 ILE 16 3.930 -11.387 -4.091
106 HG22 ILE 16 HG22 ILE 16 3.232 -12.335 -2.779
107 HG23 ILE 16 HG23 ILE 16 2.259 -11.112 -3.596
108 HD11 ILE 16 HD11 ILE 16 6.068 -12.152 -0.460
109 HD12 ILE 16 HD12 ILE 16 4.422 -11.765 0.042
110 HD13 ILE 16 HD13 ILE 16 4.697 -12.772 -1.379
111 H ALA 17 HN ALA 17 1.717 -8.563 -1.513
112 HA ALA 17 HA ALA 17 -0.468 -8.048 -1.836
113 HB1 ALA 17 HB1 ALA 17 0.471 -5.938 -2.592
114 HB2 ALA 17 HB2 ALA 17 0.610 -6.574 -4.232
115 HB3 ALA 17 HB3 ALA 17 -0.982 -6.345 -3.508
116 H ASP 18 HN ASP 18 -1.045 -10.216 -2.216
117 HA ASP 18 HA ASP 18 -2.544 -10.657 -4.536
118 HB2 ASP 18 HB2 ASP 18 -0.243 -10.952 -5.516
119 HB3 ASP 18 HB3 ASP 18 -0.026 -12.331 -4.444
120 H ASN 19 HN ASN 19 -1.870 -11.140 -1.478
121 HA ASN 19 HA ASN 19 -3.734 -13.286 -1.176
122 HB2 ASN 19 HB2 ASN 19 -2.222 -14.806 0.012
123 HB3 ASN 19 HB3 ASN 19 -1.706 -14.566 -1.654
124 HD21 ASN 19 HD21 ASN 19 0.132 -13.315 -2.071
125 HD22 ASN 19 HD22 ASN 19 1.315 -13.012 -0.849
126 H ASN 20 HN ASN 20 -1.903 -10.672 -0.006
127 HA ASN 20 HA ASN 20 -3.550 -10.443 2.325
128 HB2 ASN 20 HB2 ASN 20 -1.971 -11.972 3.278
129 HB3 ASN 20 HB3 ASN 20 -0.612 -11.071 2.611
130 HD21 ASN 20 HD21 ASN 20 -0.283 -8.894 3.413
131 HD22 ASN 20 HD22 ASN 20 -0.681 -8.540 5.059
132 H ASP 21 HN ASP 21 -0.322 -9.357 1.255
133 HA ASP 21 HA ASP 21 -0.407 -6.769 2.155
134 HB2 ASP 21 HB2 ASP 21 0.854 -7.733 -0.415
135 HB3 ASP 21 HB3 ASP 21 1.251 -6.238 0.422
136 H ASP 22 HN ASP 22 -2.124 -8.175 -0.492
137 HA ASP 22 HA ASP 22 -2.797 -5.718 -1.791
138 HB2 ASP 22 HB2 ASP 22 -2.827 -8.194 -2.671
139 HB3 ASP 22 HB3 ASP 22 -4.459 -8.202 -2.008
140 H SER 23 HN SER 23 -3.253 -5.888 1.097
141 HA SER 23 HA SER 23 -6.015 -4.990 1.139
142 HB2 SER 23 HB2 SER 23 -5.924 -7.456 1.795
143 HB3 SER 23 HB3 SER 23 -5.026 -6.942 3.220
144 HG SER 23 HG SER 23 -7.027 -6.818 3.955
145 H TYR 24 HN TYR 24 -2.973 -5.461 2.932
146 HA TYR 24 HA TYR 24 -3.597 -3.001 4.416
147 HB2 TYR 24 HB2 TYR 24 -2.494 -3.817 6.234
148 HB3 TYR 24 HB3 TYR 24 -3.029 -5.326 5.527
149 HD1 TYR 24 HD2 TYR 24 -1.315 -6.507 3.943
150 HD2 TYR 24 HD1 TYR 24 -0.271 -3.533 6.799
151 HE1 TYR 24 HE2 TYR 24 1.006 -7.323 3.939
152 HE2 TYR 24 HE1 TYR 24 2.050 -4.341 6.806
153 HH TYR 24 HH TYR 24 3.279 -6.423 4.471
154 H PHE 25 HN PHE 25 -2.285 -3.538 1.668
155 HA PHE 25 HA PHE 25 -0.200 -1.518 2.031
156 HB2 PHE 25 HB2 PHE 25 0.250 -4.283 1.193
157 HB3 PHE 25 HB3 PHE 25 0.886 -3.107 0.050
158 HD1 PHE 25 HD2 PHE 25 1.834 -0.954 1.753
159 HD2 PHE 25 HD1 PHE 25 2.039 -5.164 2.335
160 HE1 PHE 25 HE2 PHE 25 3.824 -0.659 3.169
161 HE2 PHE 25 HE1 PHE 25 4.031 -4.874 3.749
162 HZ PHE 25 HZ PHE 25 4.926 -2.620 4.167
163 H GLN 26 HN GLN 26 -2.313 -3.288 -0.187
164 HA GLN 26 HA GLN 26 -1.988 -1.155 -2.175
165 HB2 GLN 26 HB2 GLN 26 -3.181 -3.919 -2.381
166 HB3 GLN 26 HB3 GLN 26 -3.255 -2.733 -3.676
167 HG2 GLN 26 HG2 GLN 26 -0.719 -3.806 -2.462
168 HG3 GLN 26 HG3 GLN 26 -1.448 -4.376 -3.962
169 HE21 GLN 26 HE21 GLN 26 0.252 -1.784 -2.401
170 HE22 GLN 26 HE22 GLN 26 0.682 -0.927 -3.837
171 H ARG 27 HN ARG 27 -4.164 -2.238 0.219
172 HA ARG 27 HA ARG 27 -6.390 -0.815 -1.056
173 HB2 ARG 27 HB2 ARG 27 -6.349 -2.834 1.182
174 HB3 ARG 27 HB3 ARG 27 -7.780 -1.908 0.752
175 HG2 ARG 27 HG2 ARG 27 -7.582 -2.847 -1.559
176 HG3 ARG 27 HG3 ARG 27 -6.312 -3.908 -0.946
177 HD2 ARG 27 HD2 ARG 27 -7.868 -4.869 0.660
178 HD3 ARG 27 HD3 ARG 27 -9.136 -3.775 0.109
179 HE ARG 27 HE ARG 27 -7.991 -5.489 -1.927
180 HH11 ARG 27 HH12 ARG 27 -10.518 -5.037 0.430
181 HH12 ARG 27 HH11 ARG 27 -11.602 -6.155 -0.328
182 HH21 ARG 27 HH22 ARG 27 -9.413 -6.966 -2.930
183 HH22 ARG 27 HH21 ARG 27 -10.974 -7.254 -2.236
184 H LYS 28 HN LYS 28 -5.343 1.201 -0.551
185 HA LYS 28 HA LYS 28 -5.787 2.031 2.243
186 HB2 LYS 28 HB2 LYS 28 -3.607 2.634 0.329
187 HB3 LYS 28 HB3 LYS 28 -4.158 3.972 1.328
188 HG2 LYS 28 HG2 LYS 28 -2.333 2.978 2.447
189 HG3 LYS 28 HG3 LYS 28 -3.788 2.496 3.324
190 HD2 LYS 28 HD2 LYS 28 -3.746 0.322 2.353
191 HD3 LYS 28 HD3 LYS 28 -2.482 0.793 1.214
192 HE2 LYS 28 HE2 LYS 28 -1.559 -0.535 3.034
193 HE3 LYS 28 HE3 LYS 28 -0.925 1.108 3.069
194 HZ1 LYS 28 HZ1 LYS 28 -1.535 0.323 5.277
195 HZ2 LYS 28 HZ2 LYS 28 -3.131 0.082 4.771
196 HZ3 LYS 28 HZ3 LYS 28 -2.487 1.645 4.821
197 HA PRO 29 HA PRO 29 -8.743 4.442 -0.391
198 HB2 PRO 29 HB2 PRO 29 -10.697 3.894 1.693
199 HB3 PRO 29 HB3 PRO 29 -10.745 3.451 -0.015
200 HG2 PRO 29 HG2 PRO 29 -10.446 1.625 1.970
201 HG3 PRO 29 HG3 PRO 29 -9.759 1.411 0.351
202 HD2 PRO 29 HD2 PRO 29 -8.417 2.332 2.870
203 HD3 PRO 29 HD3 PRO 29 -7.834 1.198 1.633
204 H LYS 30 HN LYS 30 -8.062 4.433 3.045
205 HA LYS 30 HA LYS 30 -8.965 7.201 3.311
206 HB2 LYS 30 HB2 LYS 30 -8.533 6.851 5.738
207 HB3 LYS 30 HB3 LYS 30 -9.707 5.729 5.065
208 HG2 LYS 30 HG2 LYS 30 -7.982 3.998 4.943
209 HG3 LYS 30 HG3 LYS 30 -6.807 5.125 5.621
210 HD2 LYS 30 HD2 LYS 30 -7.596 3.710 7.382
211 HD3 LYS 30 HD3 LYS 30 -8.267 5.321 7.632
212 HE2 LYS 30 HE2 LYS 30 -10.384 4.612 6.674
213 HE3 LYS 30 HE3 LYS 30 -9.716 3.017 6.331
214 HZ1 LYS 30 HZ1 LYS 30 -9.466 2.626 8.682
215 HZ2 LYS 30 HZ2 LYS 30 -11.069 3.054 8.355
216 HZ3 LYS 30 HZ3 LYS 30 -10.017 4.185 9.046
217 H LEU 31 HN LEU 31 -7.526 8.670 4.622
218 HA LEU 31 HA LEU 31 -4.683 8.200 4.036
219 HB2 LEU 31 HB2 LEU 31 -6.187 10.778 3.584
220 HB3 LEU 31 HB3 LEU 31 -4.451 10.586 3.436
221 HG LEU 31 HG LEU 31 -6.505 9.187 1.718
222 HD11 LEU 31 HD11 LEU 31 -4.672 11.501 1.100
223 HD12 LEU 31 HD12 LEU 31 -5.719 10.675 -0.055
224 HD13 LEU 31 HD13 LEU 31 -6.424 11.583 1.282
225 HD21 LEU 31 HD21 LEU 31 -3.492 9.264 1.561
226 HD22 LEU 31 HD22 LEU 31 -4.484 7.866 1.979
227 HD23 LEU 31 HD23 LEU 31 -4.562 8.549 0.354
228 H THR 32 HN THR 32 -3.687 8.088 5.918
229 HA THR 32 HA THR 32 -3.083 8.441 8.083
230 HB THR 32 HB THR 32 -2.671 10.717 8.737
231 HG1 THR 32 HG1 THR 32 -4.569 11.757 8.210
232 HG21 THR 32 HG21 THR 32 -1.445 11.549 6.786
233 HG22 THR 32 HG22 THR 32 -2.321 10.419 5.753
234 HG23 THR 32 HG23 THR 32 -1.219 9.811 6.989
235 H GLU 33 HN GLU 33 -5.997 7.962 7.498
236 HA GLU 33 HA GLU 33 -7.319 9.381 9.666
237 HB2 GLU 33 HB2 GLU 33 -8.338 7.336 7.689
238 HB3 GLU 33 HB3 GLU 33 -9.332 8.103 8.920
239 HG2 GLU 33 HG2 GLU 33 -7.907 9.507 6.672
240 HG3 GLU 33 HG3 GLU 33 -9.633 9.161 6.757
241 H ALA 34 HN ALA 34 -8.894 7.865 10.975
242 HA ALA 34 HA ALA 34 -7.533 5.402 11.781
243 HB1 ALA 34 HB1 ALA 34 -8.317 7.568 13.730
244 HB2 ALA 34 HB2 ALA 34 -7.636 5.992 14.140
245 HB3 ALA 34 HB3 ALA 34 -6.668 7.166 13.247
246 HA PRO 35 HA PRO 35 -11.576 3.646 12.009
247 HB2 PRO 35 HB2 PRO 35 -10.765 2.390 14.575
248 HB3 PRO 35 HB3 PRO 35 -11.353 1.637 13.088
249 HG2 PRO 35 HG2 PRO 35 -8.783 1.481 13.770
250 HG3 PRO 35 HG3 PRO 35 -9.266 1.699 12.077
251 HD2 PRO 35 HD2 PRO 35 -8.203 3.712 14.020
252 HD3 PRO 35 HD3 PRO 35 -7.849 3.519 12.290