Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
145035 | 2kdr RC | 16122 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 1 H1 SER 1 -22.393 -1.577 -5.205
2 H2 SER 1 H2 SER 1 -23.131 -0.068 -4.947
3 H3 SER 1 H3 SER 1 -23.874 -1.488 -4.383
4 HA SER 1 HA SER 1 -22.829 -0.313 -2.541
5 HB2 SER 1 HB2 SER 1 -21.503 -2.883 -3.467
6 HB3 SER 1 HB3 SER 1 -21.491 -2.288 -1.809
7 HG SER 1 HG SER 1 -23.183 -3.812 -2.245
8 H ASP 2 H ASP 2 -21.524 1.502 -2.659
9 HA ASP 2 HA ASP 2 -18.828 1.225 -3.929
10 HB2 ASP 2 HB2 ASP 2 -18.969 3.587 -4.302
11 HB3 ASP 2 HB3 ASP 2 -20.562 2.945 -4.693
12 H ALA 3 H ALA 3 -20.487 2.106 -0.912
13 HA ALA 3 HA ALA 3 -18.309 3.250 0.521
14 HB1 ALA 3 HB1 ALA 3 -19.657 2.553 2.498
15 HB2 ALA 3 HB2 ALA 3 -20.629 1.521 1.450
16 HB3 ALA 3 HB3 ALA 3 -20.663 3.273 1.241
17 H ALA 4 H ALA 4 -19.408 -0.173 0.441
18 HA ALA 4 HA ALA 4 -17.285 -1.225 2.064
19 HB1 ALA 4 HB1 ALA 4 -18.821 -2.582 -0.176
20 HB2 ALA 4 HB2 ALA 4 -19.488 -2.300 1.433
21 HB3 ALA 4 HB3 ALA 4 -18.091 -3.358 1.230
22 H ALA 5 H ALA 5 -17.617 -0.783 -1.464
23 HA ALA 5 HA ALA 5 -15.144 -2.060 -2.207
24 HB1 ALA 5 HB1 ALA 5 -16.515 0.244 -3.619
25 HB2 ALA 5 HB2 ALA 5 -17.189 -1.386 -3.625
26 HB3 ALA 5 HB3 ALA 5 -15.608 -1.083 -4.345
27 H ARG 6 H ARG 6 -15.980 1.298 -1.337
28 HA ARG 6 HA ARG 6 -13.445 2.486 -1.929
29 HB2 ARG 6 HB2 ARG 6 -15.838 3.076 -0.240
30 HB3 ARG 6 HB3 ARG 6 -14.378 4.013 0.076
31 HG2 ARG 6 HG2 ARG 6 -14.282 4.489 -2.422
32 HG3 ARG 6 HG3 ARG 6 -15.902 3.797 -2.530
33 HD2 ARG 6 HD2 ARG 6 -16.321 5.509 -0.484
34 HD3 ARG 6 HD3 ARG 6 -15.032 6.386 -1.333
35 HE ARG 6 HE ARG 6 -17.702 5.742 -2.441
36 HH11 ARG 6 HH11 ARG 6 -15.949 8.362 -2.431
37 HH12 ARG 6 HH12 ARG 6 -15.635 8.500 -4.129
38 HH21 ARG 6 HH21 ARG 6 -16.661 5.257 -4.852
39 HH22 ARG 6 HH22 ARG 6 -16.039 6.737 -5.504
40 H VAL 7 H VAL 7 -14.669 0.791 0.903
41 HA VAL 7 HA VAL 7 -12.464 1.308 2.678
42 HB VAL 7 HB VAL 7 -14.433 -1.000 2.434
43 HG11 VAL 7 HG11 VAL 7 -12.462 -0.260 4.609
44 HG12 VAL 7 HG12 VAL 7 -12.628 -1.807 3.777
45 HG13 VAL 7 HG13 VAL 7 -13.870 -1.279 4.914
46 HG21 VAL 7 HG21 VAL 7 -14.724 0.866 4.667
47 HG22 VAL 7 HG22 VAL 7 -15.925 0.336 3.489
48 HG23 VAL 7 HG23 VAL 7 -14.846 1.677 3.107
49 H THR 8 H THR 8 -13.110 -1.223 0.245
50 HA THR 8 HA THR 8 -10.727 -2.772 0.750
51 HB THR 8 HB THR 8 -12.432 -2.462 -1.743
52 HG1 THR 8 HG1 THR 8 -13.860 -3.482 -0.620
53 HG21 THR 8 HG21 THR 8 -10.758 -3.757 -2.589
54 HG22 THR 8 HG22 THR 8 -11.581 -5.045 -1.708
55 HG23 THR 8 HG23 THR 8 -10.185 -4.239 -0.991
56 H ALA 9 H ALA 9 -11.493 -0.059 -1.376
57 HA ALA 9 HA ALA 9 -9.060 -0.051 -2.896
58 HB1 ALA 9 HB1 ALA 9 -10.679 2.387 -2.158
59 HB2 ALA 9 HB2 ALA 9 -11.332 1.159 -3.244
60 HB3 ALA 9 HB3 ALA 9 -9.867 2.038 -3.684
61 H ILE 10 H ILE 10 -9.996 1.608 0.087
62 HA ILE 10 HA ILE 10 -7.659 3.182 0.497
63 HB ILE 10 HB ILE 10 -9.622 1.804 2.359
64 HG12 ILE 10 HG12 ILE 10 -9.315 4.760 1.824
65 HG13 ILE 10 HG13 ILE 10 -10.255 3.736 0.737
66 HG21 ILE 10 HG21 ILE 10 -7.773 2.115 3.787
67 HG22 ILE 10 HG22 ILE 10 -8.709 3.592 4.018
68 HG23 ILE 10 HG23 ILE 10 -7.284 3.605 2.979
69 HD11 ILE 10 HD11 ILE 10 -11.861 4.517 2.277
70 HD12 ILE 10 HD12 ILE 10 -10.762 4.349 3.645
71 HD13 ILE 10 HD13 ILE 10 -11.453 2.914 2.888
72 H LEU 11 H LEU 11 -8.386 -0.192 1.386
73 HA LEU 11 HA LEU 11 -5.906 -0.748 2.732
74 HB2 LEU 11 HB2 LEU 11 -8.233 -1.975 2.618
75 HB3 LEU 11 HB3 LEU 11 -7.515 -2.795 1.231
76 HG LEU 11 HG LEU 11 -5.766 -2.654 3.607
77 HD11 LEU 11 HD11 LEU 11 -6.978 -4.487 4.769
78 HD12 LEU 11 HD12 LEU 11 -8.310 -4.307 3.627
79 HD13 LEU 11 HD13 LEU 11 -7.915 -2.993 4.735
80 HD21 LEU 11 HD21 LEU 11 -5.043 -4.724 2.819
81 HD22 LEU 11 HD22 LEU 11 -5.616 -3.986 1.323
82 HD23 LEU 11 HD23 LEU 11 -6.630 -5.149 2.178
83 H SER 12 H SER 12 -6.964 -1.113 -0.629
84 HA SER 12 HA SER 12 -4.707 -2.513 -1.668
85 HB2 SER 12 HB2 SER 12 -7.001 -1.909 -2.705
86 HB3 SER 12 HB3 SER 12 -6.263 -0.365 -3.123
87 HG SER 12 HG SER 12 -6.137 -2.189 -4.700
88 H SER 13 H SER 13 -5.307 1.005 -1.367
89 HA SER 13 HA SER 13 -2.865 1.899 -2.569
90 HB2 SER 13 HB2 SER 13 -4.574 3.138 -0.386
91 HB3 SER 13 HB3 SER 13 -3.430 4.005 -1.406
92 HG SER 13 HG SER 13 -4.808 3.923 -3.017
93 H LEU 14 H LEU 14 -3.698 1.043 0.792
94 HA LEU 14 HA LEU 14 -1.272 1.855 2.063
95 HB2 LEU 14 HB2 LEU 14 -3.672 0.360 2.626
96 HB3 LEU 14 HB3 LEU 14 -2.287 -0.527 3.263
97 HG LEU 14 HG LEU 14 -1.513 1.661 4.308
98 HD11 LEU 14 HD11 LEU 14 -4.244 2.449 3.289
99 HD12 LEU 14 HD12 LEU 14 -2.718 3.318 3.127
100 HD13 LEU 14 HD13 LEU 14 -3.529 3.246 4.691
101 HD21 LEU 14 HD21 LEU 14 -2.965 1.399 6.227
102 HD22 LEU 14 HD22 LEU 14 -2.723 -0.198 5.520
103 HD23 LEU 14 HD23 LEU 14 -4.229 0.673 5.233
104 H THR 15 H THR 15 -2.191 -1.223 0.491
105 HA THR 15 HA THR 15 0.143 -2.744 1.065
106 HB THR 15 HB THR 15 -1.476 -2.753 -1.505
107 HG1 THR 15 HG1 THR 15 -3.097 -3.135 -0.242
108 HG21 THR 15 HG21 THR 15 0.445 -4.251 -1.522
109 HG22 THR 15 HG22 THR 15 -1.032 -5.203 -1.373
110 HG23 THR 15 HG23 THR 15 -0.022 -4.914 0.044
111 H VAL 16 H VAL 16 -0.556 -0.478 -1.607
112 HA VAL 16 HA VAL 16 1.898 -0.813 -3.051
113 HB VAL 16 HB VAL 16 -0.000 1.545 -2.751
114 HG11 VAL 16 HG11 VAL 16 2.019 2.402 -3.705
115 HG12 VAL 16 HG12 VAL 16 0.928 2.122 -5.061
116 HG13 VAL 16 HG13 VAL 16 2.226 0.976 -4.723
117 HG21 VAL 16 HG21 VAL 16 0.044 -0.945 -4.410
118 HG22 VAL 16 HG22 VAL 16 -0.568 0.530 -5.159
119 HG23 VAL 16 HG23 VAL 16 -1.329 -0.099 -3.698
120 H THR 17 H THR 17 0.968 1.464 -0.440
121 HA THR 17 HA THR 17 3.378 2.993 -0.363
122 HB THR 17 HB THR 17 1.622 2.201 1.981
123 HG1 THR 17 HG1 THR 17 1.212 4.135 -0.052
124 HG21 THR 17 HG21 THR 17 2.151 4.531 2.710
125 HG22 THR 17 HG22 THR 17 3.238 4.679 1.329
126 HG23 THR 17 HG23 THR 17 3.580 3.504 2.598
127 H GLN 18 H GLN 18 2.500 -0.072 1.245
128 HA GLN 18 HA GLN 18 4.847 -0.319 2.868
129 HB2 GLN 18 HB2 GLN 18 2.734 -2.132 1.751
130 HB3 GLN 18 HB3 GLN 18 4.119 -2.843 2.577
131 HG2 GLN 18 HG2 GLN 18 3.611 -1.746 4.616
132 HG3 GLN 18 HG3 GLN 18 2.518 -0.609 3.826
133 HE21 GLN 18 HE21 GLN 18 2.702 -3.707 5.376
134 HE22 GLN 18 HE22 GLN 18 1.097 -4.178 5.089
135 H LEU 19 H LEU 19 4.087 -1.583 -0.352
136 HA LEU 19 HA LEU 19 6.500 -2.999 -0.857
137 HB2 LEU 19 HB2 LEU 19 4.228 -1.879 -2.336
138 HB3 LEU 19 HB3 LEU 19 5.713 -1.877 -3.288
139 HG LEU 19 HG LEU 19 5.923 -4.342 -2.277
140 HD11 LEU 19 HD11 LEU 19 3.781 -5.419 -2.016
141 HD12 LEU 19 HD12 LEU 19 2.925 -3.956 -2.504
142 HD13 LEU 19 HD13 LEU 19 3.785 -4.003 -0.964
143 HD21 LEU 19 HD21 LEU 19 5.905 -3.857 -4.658
144 HD22 LEU 19 HD22 LEU 19 4.180 -3.499 -4.613
145 HD23 LEU 19 HD23 LEU 19 4.743 -5.148 -4.348
146 H LEU 20 H LEU 20 5.703 0.448 -1.255
147 HA LEU 20 HA LEU 20 8.171 1.254 -2.506
148 HB2 LEU 20 HB2 LEU 20 6.012 2.622 -0.883
149 HB3 LEU 20 HB3 LEU 20 7.385 3.516 -1.538
150 HG LEU 20 HG LEU 20 5.786 1.719 -3.343
151 HD11 LEU 20 HD11 LEU 20 4.277 3.336 -2.018
152 HD12 LEU 20 HD12 LEU 20 4.176 3.406 -3.777
153 HD13 LEU 20 HD13 LEU 20 5.096 4.627 -2.897
154 HD21 LEU 20 HD21 LEU 20 6.576 3.279 -5.038
155 HD22 LEU 20 HD22 LEU 20 7.952 2.773 -4.057
156 HD23 LEU 20 HD23 LEU 20 7.218 4.357 -3.799
157 H ARG 21 H ARG 21 7.111 1.063 0.910
158 HA ARG 21 HA ARG 21 9.425 2.268 2.099
159 HB2 ARG 21 HB2 ARG 21 7.250 0.366 2.927
160 HB3 ARG 21 HB3 ARG 21 8.600 0.644 4.028
161 HG2 ARG 21 HG2 ARG 21 8.118 3.184 3.511
162 HG3 ARG 21 HG3 ARG 21 6.524 2.582 3.050
163 HD2 ARG 21 HD2 ARG 21 5.962 2.575 5.246
164 HD3 ARG 21 HD3 ARG 21 7.177 1.309 5.509
165 HE ARG 21 HE ARG 21 8.022 4.176 5.443
166 HH11 ARG 21 HH21 ARG 21 6.794 3.176 8.044
167 HH12 ARG 21 HH22 ARG 21 8.206 2.691 8.923
168 HH21 ARG 21 HH11 ARG 21 10.263 2.666 6.121
169 HH22 ARG 21 HH12 ARG 21 10.176 2.403 7.830
170 H ARG 22 H ARG 22 8.701 -1.122 1.226
171 HA ARG 22 HA ARG 22 11.100 -2.292 2.302
172 HB2 ARG 22 HB2 ARG 22 8.763 -3.046 0.853
173 HB3 ARG 22 HB3 ARG 22 10.149 -3.643 -0.060
174 HG2 ARG 22 HG2 ARG 22 11.034 -4.724 1.969
175 HG3 ARG 22 HG3 ARG 22 9.659 -4.120 2.896
176 HD2 ARG 22 HD2 ARG 22 8.171 -5.614 1.923
177 HD3 ARG 22 HD3 ARG 22 9.096 -5.709 0.412
178 HE ARG 22 HE ARG 22 10.651 -7.218 1.494
179 HH11 ARG 22 HH21 ARG 22 8.171 -8.582 2.326
180 HH12 ARG 22 HH22 ARG 22 8.354 -8.718 4.042
181 HH21 ARG 22 HH11 ARG 22 10.864 -6.318 4.226
182 HH22 ARG 22 HH12 ARG 22 9.885 -7.432 5.123
183 H LEU 23 H LEU 23 10.294 -0.965 -0.915
184 HA LEU 23 HA LEU 23 12.735 -1.638 -2.249
185 HB2 LEU 23 HB2 LEU 23 10.460 -0.730 -3.113
186 HB3 LEU 23 HB3 LEU 23 11.105 0.865 -2.721
187 HG LEU 23 HG LEU 23 13.153 0.220 -4.117
188 HD11 LEU 23 HD11 LEU 23 12.715 -1.546 -5.824
189 HD12 LEU 23 HD12 LEU 23 11.222 -1.955 -4.981
190 HD13 LEU 23 HD13 LEU 23 12.777 -2.194 -4.185
191 HD21 LEU 23 HD21 LEU 23 11.408 1.776 -4.916
192 HD22 LEU 23 HD22 LEU 23 10.452 0.409 -5.491
193 HD23 LEU 23 HD23 LEU 23 12.008 0.772 -6.237
194 H HIS 24 H HIS 24 11.775 1.318 -0.462
195 HA HIS 24 HA HIS 24 14.249 2.740 -0.824
196 HB2 HIS 24 HB2 HIS 24 11.981 3.619 -0.094
197 HB3 HIS 24 HB3 HIS 24 12.288 2.899 1.487
198 HD1 HIS 24 HD1 HIS 24 14.029 4.032 3.005
199 HD2 HIS 24 HD2 HIS 24 13.674 5.860 -0.725
200 HE1 HIS 24 HE1 HIS 24 15.310 6.213 3.150
201 H GLN 25 H GLN 25 13.097 0.497 1.703
202 HA GLN 25 HA GLN 25 15.246 0.756 3.555
203 HB2 GLN 25 HB2 GLN 25 13.023 -0.458 3.781
204 HB3 GLN 25 HB3 GLN 25 13.718 -1.761 2.816
205 HG2 GLN 25 HG2 GLN 25 15.624 -1.182 4.819
206 HG3 GLN 25 HG3 GLN 25 14.059 -1.213 5.633
207 HE21 GLN 25 HE21 GLN 25 16.542 -3.206 4.324
208 HE22 GLN 25 HE22 GLN 25 15.706 -4.682 4.405
209 H TRP 26 H TRP 26 14.942 -1.189 0.591
210 HA TRP 26 HA TRP 26 17.430 -2.650 0.928
211 HB2 TRP 26 HB2 TRP 26 15.358 -3.210 -0.479
212 HB3 TRP 26 HB3 TRP 26 15.945 -2.015 -1.637
213 HD1 TRP 26 HD1 TRP 26 16.736 -5.448 -0.194
214 HE1 TRP 26 HE1 TRP 26 18.534 -6.576 -1.657
215 HE3 TRP 26 HE3 TRP 26 17.952 -1.550 -3.261
216 HZ2 TRP 26 HZ2 TRP 26 20.259 -5.913 -3.841
217 HZ3 TRP 26 HZ3 TRP 26 19.674 -1.826 -5.022
218 HH2 TRP 26 HH2 TRP 26 20.829 -4.001 -5.315
219 H ILE 27 H ILE 27 16.490 0.352 -0.747
220 HA ILE 27 HA ILE 27 19.085 0.769 -2.007
221 HB ILE 27 HB ILE 27 16.682 2.544 -1.457
222 HG12 ILE 27 HG12 ILE 27 17.538 1.466 -4.134
223 HG13 ILE 27 HG13 ILE 27 16.627 0.436 -3.032
224 HG21 ILE 27 HG21 ILE 27 19.147 3.020 -3.160
225 HG22 ILE 27 HG22 ILE 27 18.607 3.980 -1.781
226 HG23 ILE 27 HG23 ILE 27 17.673 3.982 -3.277
227 HD11 ILE 27 HD11 ILE 27 15.766 2.913 -4.459
228 HD12 ILE 27 HD12 ILE 27 15.095 2.619 -2.854
229 HD13 ILE 27 HD13 ILE 27 14.865 1.432 -4.138
230 H SER 28 H SER 28 17.451 2.131 0.880
231 HA SER 28 HA SER 28 20.134 3.091 1.826
232 HB2 SER 28 HB2 SER 28 17.418 4.429 1.831
233 HB3 SER 28 HB3 SER 28 18.757 5.008 2.817
234 HG SER 28 HG SER 28 19.925 5.398 0.969
Start of MODEL 2
1 H1 SER 1 H1 SER 1 -20.132 4.765 -4.325
2 H2 SER 1 H2 SER 1 -20.143 5.299 -2.712
3 H3 SER 1 H3 SER 1 -21.386 5.766 -3.772
4 HA SER 1 HA SER 1 -22.224 4.036 -2.331
5 HB2 SER 1 HB2 SER 1 -22.890 2.507 -4.168
6 HB3 SER 1 HB3 SER 1 -22.928 4.186 -4.694
7 HG SER 1 HG SER 1 -21.260 2.100 -5.439
8 H ASP 2 H ASP 2 -22.123 1.486 -2.193
9 HA ASP 2 HA ASP 2 -20.948 -0.379 -1.362
10 HB2 ASP 2 HB2 ASP 2 -18.983 0.672 -3.428
11 HB3 ASP 2 HB3 ASP 2 -18.974 -0.957 -2.757
12 H ALA 3 H ALA 3 -20.686 0.794 0.736
13 HA ALA 3 HA ALA 3 -18.355 2.348 1.388
14 HB1 ALA 3 HB1 ALA 3 -19.117 1.926 3.698
15 HB2 ALA 3 HB2 ALA 3 -20.161 0.627 3.121
16 HB3 ALA 3 HB3 ALA 3 -20.489 2.296 2.653
17 H ALA 4 H ALA 4 -19.090 -1.138 1.823
18 HA ALA 4 HA ALA 4 -16.666 -1.877 3.143
19 HB1 ALA 4 HB1 ALA 4 -18.703 -3.267 2.969
20 HB2 ALA 4 HB2 ALA 4 -17.301 -4.145 2.359
21 HB3 ALA 4 HB3 ALA 4 -18.450 -3.426 1.231
22 H ALA 5 H ALA 5 -17.490 -1.733 -0.337
23 HA ALA 5 HA ALA 5 -14.995 -2.770 -1.324
24 HB1 ALA 5 HB1 ALA 5 -15.779 -1.727 -3.438
25 HB2 ALA 5 HB2 ALA 5 -16.990 -0.820 -2.533
26 HB3 ALA 5 HB3 ALA 5 -17.094 -2.578 -2.626
27 H ARG 6 H ARG 6 -16.074 0.518 -0.468
28 HA ARG 6 HA ARG 6 -13.802 1.941 -1.473
29 HB2 ARG 6 HB2 ARG 6 -16.188 2.441 -0.032
30 HB3 ARG 6 HB3 ARG 6 -14.878 3.060 0.973
31 HG2 ARG 6 HG2 ARG 6 -15.443 4.876 -0.438
32 HG3 ARG 6 HG3 ARG 6 -14.000 4.181 -1.178
33 HD2 ARG 6 HD2 ARG 6 -15.356 2.976 -2.814
34 HD3 ARG 6 HD3 ARG 6 -16.847 3.524 -2.023
35 HE ARG 6 HE ARG 6 -16.501 5.686 -2.951
36 HH11 ARG 6 HH21 ARG 6 -15.306 4.412 -5.329
37 HH12 ARG 6 HH22 ARG 6 -13.757 5.177 -5.447
38 HH21 ARG 6 HH11 ARG 6 -13.806 6.369 -2.180
39 HH22 ARG 6 HH12 ARG 6 -12.902 6.288 -3.655
40 H VAL 7 H VAL 7 -14.416 0.270 1.560
41 HA VAL 7 HA VAL 7 -12.053 1.083 2.982
42 HB VAL 7 HB VAL 7 -13.723 -1.461 3.089
43 HG11 VAL 7 HG11 VAL 7 -11.726 -0.275 5.038
44 HG12 VAL 7 HG12 VAL 7 -11.623 -1.839 4.230
45 HG13 VAL 7 HG13 VAL 7 -12.859 -1.561 5.456
46 HG21 VAL 7 HG21 VAL 7 -14.068 0.466 5.246
47 HG22 VAL 7 HG22 VAL 7 -15.284 -0.258 4.194
48 HG23 VAL 7 HG23 VAL 7 -14.424 1.192 3.678
49 H THR 8 H THR 8 -12.752 -1.601 0.734
50 HA THR 8 HA THR 8 -10.186 -2.892 0.940
51 HB THR 8 HB THR 8 -12.100 -2.838 -1.409
52 HG1 THR 8 HG1 THR 8 -12.174 -4.346 0.994
53 HG21 THR 8 HG21 THR 8 -10.208 -4.961 -0.356
54 HG22 THR 8 HG22 THR 8 -9.965 -3.991 -1.809
55 HG23 THR 8 HG23 THR 8 -11.292 -5.151 -1.735
56 H ALA 9 H ALA 9 -11.455 -0.318 -1.117
57 HA ALA 9 HA ALA 9 -9.234 -0.146 -2.932
58 HB1 ALA 9 HB1 ALA 9 -10.256 2.338 -2.969
59 HB2 ALA 9 HB2 ALA 9 -11.548 1.535 -2.077
60 HB3 ALA 9 HB3 ALA 9 -11.113 0.976 -3.692
61 H ILE 10 H ILE 10 -9.932 1.460 0.140
62 HA ILE 10 HA ILE 10 -7.721 3.264 0.211
63 HB ILE 10 HB ILE 10 -9.293 1.773 2.338
64 HG12 ILE 10 HG12 ILE 10 -10.546 3.410 0.975
65 HG13 ILE 10 HG13 ILE 10 -10.383 3.971 2.637
66 HG21 ILE 10 HG21 ILE 10 -7.323 2.308 3.507
67 HG22 ILE 10 HG22 ILE 10 -8.362 3.697 3.824
68 HG23 ILE 10 HG23 ILE 10 -7.086 3.807 2.611
69 HD11 ILE 10 HD11 ILE 10 -9.015 4.972 0.158
70 HD12 ILE 10 HD12 ILE 10 -8.215 5.157 1.719
71 HD13 ILE 10 HD13 ILE 10 -9.796 5.888 1.446
72 H LEU 11 H LEU 11 -8.022 -0.142 1.219
73 HA LEU 11 HA LEU 11 -5.356 -0.440 2.256
74 HB2 LEU 11 HB2 LEU 11 -7.676 -2.112 1.509
75 HB3 LEU 11 HB3 LEU 11 -6.120 -2.936 1.425
76 HG LEU 11 HG LEU 11 -5.771 -1.746 3.787
77 HD11 LEU 11 HD11 LEU 11 -7.945 -0.566 3.695
78 HD12 LEU 11 HD12 LEU 11 -7.884 -1.692 5.050
79 HD13 LEU 11 HD13 LEU 11 -8.777 -2.117 3.590
80 HD21 LEU 11 HD21 LEU 11 -5.659 -4.155 3.448
81 HD22 LEU 11 HD22 LEU 11 -7.413 -4.249 3.280
82 HD23 LEU 11 HD23 LEU 11 -6.697 -3.831 4.837
83 H SER 12 H SER 12 -6.765 -0.891 -0.957
84 HA SER 12 HA SER 12 -4.557 -2.129 -2.267
85 HB2 SER 12 HB2 SER 12 -7.058 -1.457 -2.951
86 HB3 SER 12 HB3 SER 12 -6.227 -0.084 -3.677
87 HG SER 12 HG SER 12 -6.494 -2.427 -4.722
88 H SER 13 H SER 13 -5.347 1.347 -1.874
89 HA SER 13 HA SER 13 -3.055 2.372 -3.283
90 HB2 SER 13 HB2 SER 13 -5.118 3.336 -1.352
91 HB3 SER 13 HB3 SER 13 -3.669 4.324 -1.517
92 HG SER 13 HG SER 13 -5.612 4.582 -3.032
93 H LEU 14 H LEU 14 -3.623 1.468 0.112
94 HA LEU 14 HA LEU 14 -1.176 2.439 1.233
95 HB2 LEU 14 HB2 LEU 14 -3.297 0.437 1.878
96 HB3 LEU 14 HB3 LEU 14 -1.790 0.317 2.780
97 HG LEU 14 HG LEU 14 -3.324 2.910 2.484
98 HD11 LEU 14 HD11 LEU 14 -3.507 0.724 4.563
99 HD12 LEU 14 HD12 LEU 14 -4.819 1.502 3.677
100 HD13 LEU 14 HD13 LEU 14 -3.951 2.391 4.928
101 HD21 LEU 14 HD21 LEU 14 -1.944 3.551 4.445
102 HD22 LEU 14 HD22 LEU 14 -0.935 3.111 3.066
103 HD23 LEU 14 HD23 LEU 14 -1.155 1.974 4.397
104 H THR 15 H THR 15 -2.001 -0.615 -0.407
105 HA THR 15 HA THR 15 0.380 -2.087 0.130
106 HB THR 15 HB THR 15 -1.376 -2.037 -2.356
107 HG1 THR 15 HG1 THR 15 -2.787 -2.630 -0.905
108 HG21 THR 15 HG21 THR 15 0.260 -4.309 -1.201
109 HG22 THR 15 HG22 THR 15 0.804 -3.290 -2.534
110 HG23 THR 15 HG23 THR 15 -0.628 -4.302 -2.724
111 H VAL 16 H VAL 16 -0.398 0.211 -2.505
112 HA VAL 16 HA VAL 16 2.066 0.003 -3.948
113 HB VAL 16 HB VAL 16 0.077 2.272 -3.549
114 HG11 VAL 16 HG11 VAL 16 1.047 3.026 -5.808
115 HG12 VAL 16 HG12 VAL 16 2.408 1.962 -5.453
116 HG13 VAL 16 HG13 VAL 16 2.047 3.318 -4.384
117 HG21 VAL 16 HG21 VAL 16 -0.709 1.508 -5.805
118 HG22 VAL 16 HG22 VAL 16 -0.912 0.283 -4.554
119 HG23 VAL 16 HG23 VAL 16 0.421 0.158 -5.703
120 H THR 17 H THR 17 1.052 2.269 -1.359
121 HA THR 17 HA THR 17 3.524 3.705 -1.142
122 HB THR 17 HB THR 17 1.591 3.086 1.108
123 HG1 THR 17 HG1 THR 17 1.294 4.895 -1.059
124 HG21 THR 17 HG21 THR 17 2.316 5.067 2.053
125 HG22 THR 17 HG22 THR 17 2.741 5.778 0.497
126 HG23 THR 17 HG23 THR 17 3.792 4.567 1.229
127 H GLN 18 H GLN 18 2.342 0.733 0.442
128 HA GLN 18 HA GLN 18 4.519 0.389 2.274
129 HB2 GLN 18 HB2 GLN 18 2.365 -1.270 1.035
130 HB3 GLN 18 HB3 GLN 18 3.679 -2.123 1.844
131 HG2 GLN 18 HG2 GLN 18 3.221 -1.086 3.928
132 HG3 GLN 18 HG3 GLN 18 2.223 0.161 3.179
133 HE21 GLN 18 HE21 GLN 18 -0.006 -0.245 3.116
134 HE22 GLN 18 HE22 GLN 18 -0.718 -1.759 3.407
135 H LEU 19 H LEU 19 3.990 -0.827 -1.009
136 HA LEU 19 HA LEU 19 6.316 -2.414 -1.326
137 HB2 LEU 19 HB2 LEU 19 4.320 -1.035 -2.980
138 HB3 LEU 19 HB3 LEU 19 5.887 -1.146 -3.776
139 HG LEU 19 HG LEU 19 4.369 -3.105 -4.223
140 HD11 LEU 19 HD11 LEU 19 6.813 -3.959 -2.668
141 HD12 LEU 19 HD12 LEU 19 6.939 -3.150 -4.229
142 HD13 LEU 19 HD13 LEU 19 6.118 -4.705 -4.106
143 HD21 LEU 19 HD21 LEU 19 4.984 -3.980 -1.403
144 HD22 LEU 19 HD22 LEU 19 3.776 -4.619 -2.516
145 HD23 LEU 19 HD23 LEU 19 3.532 -3.046 -1.758
146 H LEU 20 H LEU 20 5.878 1.107 -1.628
147 HA LEU 20 HA LEU 20 8.521 1.718 -2.611
148 HB2 LEU 20 HB2 LEU 20 6.311 3.204 -1.181
149 HB3 LEU 20 HB3 LEU 20 7.837 4.004 -1.555
150 HG LEU 20 HG LEU 20 6.624 2.487 -3.793
151 HD11 LEU 20 HD11 LEU 20 5.436 5.150 -2.980
152 HD12 LEU 20 HD12 LEU 20 4.678 3.610 -2.573
153 HD13 LEU 20 HD13 LEU 20 4.893 4.068 -4.262
154 HD21 LEU 20 HD21 LEU 20 8.564 3.753 -4.294
155 HD22 LEU 20 HD22 LEU 20 8.008 5.138 -3.355
156 HD23 LEU 20 HD23 LEU 20 7.239 4.750 -4.894
157 H ARG 21 H ARG 21 7.116 1.603 0.694
158 HA ARG 21 HA ARG 21 9.546 2.416 2.044
159 HB2 ARG 21 HB2 ARG 21 6.832 1.633 2.648
160 HB3 ARG 21 HB3 ARG 21 7.938 0.784 3.727
161 HG2 ARG 21 HG2 ARG 21 7.891 2.701 4.945
162 HG3 ARG 21 HG3 ARG 21 9.018 3.304 3.731
163 HD2 ARG 21 HD2 ARG 21 7.498 4.816 2.999
164 HD3 ARG 21 HD3 ARG 21 6.281 3.545 2.774
165 HE ARG 21 HE ARG 21 6.373 5.333 5.013
166 HH11 ARG 21 HH11 ARG 21 4.625 2.803 3.839
167 HH12 ARG 21 HH12 ARG 21 4.230 2.091 5.366
168 HH21 ARG 21 HH21 ARG 21 6.455 4.066 7.163
169 HH22 ARG 21 HH22 ARG 21 5.269 2.805 7.253
170 H ARG 22 H ARG 22 8.145 -0.755 1.197
171 HA ARG 22 HA ARG 22 10.019 -2.419 2.578
172 HB2 ARG 22 HB2 ARG 22 8.014 -2.613 0.415
173 HB3 ARG 22 HB3 ARG 22 9.299 -3.816 0.313
174 HG2 ARG 22 HG2 ARG 22 8.007 -4.976 1.786
175 HG3 ARG 22 HG3 ARG 22 8.732 -3.903 2.983
176 HD2 ARG 22 HD2 ARG 22 6.808 -2.643 3.218
177 HD3 ARG 22 HD3 ARG 22 6.313 -2.897 1.533
178 HE ARG 22 HE ARG 22 6.154 -5.054 3.611
179 HH11 ARG 22 HH11 ARG 22 5.855 -5.772 0.686
180 HH12 ARG 22 HH12 ARG 22 4.134 -5.758 0.497
181 HH21 ARG 22 HH21 ARG 22 3.562 -3.989 3.433
182 HH22 ARG 22 HH22 ARG 22 2.833 -4.738 2.054
183 H LEU 23 H LEU 23 10.089 -0.988 -0.691
184 HA LEU 23 HA LEU 23 12.546 -2.237 -1.548
185 HB2 LEU 23 HB2 LEU 23 10.675 -1.089 -2.891
186 HB3 LEU 23 HB3 LEU 23 11.423 0.439 -2.424
187 HG LEU 23 HG LEU 23 13.623 -0.629 -3.329
188 HD11 LEU 23 HD11 LEU 23 13.090 -2.214 -5.247
189 HD12 LEU 23 HD12 LEU 23 11.479 -2.385 -4.550
190 HD13 LEU 23 HD13 LEU 23 12.895 -2.897 -3.632
191 HD21 LEU 23 HD21 LEU 23 11.321 0.233 -5.106
192 HD22 LEU 23 HD22 LEU 23 12.985 0.079 -5.668
193 HD23 LEU 23 HD23 LEU 23 12.581 1.262 -4.425
194 H HIS 24 H HIS 24 11.811 0.888 0.025
195 HA HIS 24 HA HIS 24 14.452 1.993 -0.043
196 HB2 HIS 24 HB2 HIS 24 12.114 2.992 0.554
197 HB3 HIS 24 HB3 HIS 24 12.457 2.411 2.184
198 HD1 HIS 24 HD1 HIS 24 12.282 5.371 1.999
199 HD2 HIS 24 HD2 HIS 24 15.845 3.366 1.180
200 HE1 HIS 24 HE1 HIS 24 14.143 7.064 2.295
201 H GLN 25 H GLN 25 12.824 -0.105 2.351
202 HA GLN 25 HA GLN 25 14.872 -0.081 4.352
203 HB2 GLN 25 HB2 GLN 25 12.365 -1.228 3.926
204 HB3 GLN 25 HB3 GLN 25 13.443 -2.620 4.016
205 HG2 GLN 25 HG2 GLN 25 13.863 -0.487 6.048
206 HG3 GLN 25 HG3 GLN 25 12.395 -1.451 6.211
207 HE21 GLN 25 HE21 GLN 25 12.618 -3.699 6.791
208 HE22 GLN 25 HE22 GLN 25 14.112 -4.382 7.221
209 H TRP 26 H TRP 26 14.422 -2.082 1.441
210 HA TRP 26 HA TRP 26 16.614 -3.898 1.973
211 HB2 TRP 26 HB2 TRP 26 14.927 -3.092 -0.391
212 HB3 TRP 26 HB3 TRP 26 16.300 -4.173 -0.620
213 HD1 TRP 26 HD1 TRP 26 15.937 -5.676 2.247
214 HE1 TRP 26 HE1 TRP 26 14.046 -7.414 2.468
215 HE3 TRP 26 HE3 TRP 26 12.939 -4.217 -1.624
216 HZ2 TRP 26 HZ2 TRP 26 11.589 -8.097 1.174
217 HZ3 TRP 26 HZ3 TRP 26 10.833 -5.430 -2.106
218 HH2 TRP 26 HH2 TRP 26 10.155 -7.366 -0.714
219 H ILE 27 H ILE 27 16.366 -0.721 0.437
220 HA ILE 27 HA ILE 27 19.091 -0.822 -0.674
221 HB ILE 27 HB ILE 27 16.998 1.363 -0.381
222 HG12 ILE 27 HG12 ILE 27 17.850 0.060 -2.955
223 HG13 ILE 27 HG13 ILE 27 16.693 -0.765 -1.910
224 HG21 ILE 27 HG21 ILE 27 19.233 2.351 -0.558
225 HG22 ILE 27 HG22 ILE 27 18.361 2.575 -2.075
226 HG23 ILE 27 HG23 ILE 27 19.599 1.324 -1.945
227 HD11 ILE 27 HD11 ILE 27 16.410 1.885 -3.309
228 HD12 ILE 27 HD12 ILE 27 15.447 1.524 -1.877
229 HD13 ILE 27 HD13 ILE 27 15.307 0.511 -3.313
230 H SER 28 H SER 28 17.430 1.102 1.867
231 HA SER 28 HA SER 28 18.276 2.233 3.750
232 HB2 SER 28 HB2 SER 28 20.095 -0.157 3.408
233 HB3 SER 28 HB3 SER 28 20.261 0.936 4.778
234 HG SER 28 HG SER 28 18.055 -0.677 4.033
Start of MODEL 3
1 H1 SER 1 H1 SER 1 -22.241 1.694 1.385
2 H2 SER 1 H2 SER 1 -23.698 1.032 0.817
3 H3 SER 1 H3 SER 1 -23.184 2.555 0.267
4 HA SER 1 HA SER 1 -21.927 -0.082 -0.319
5 HB2 SER 1 HB2 SER 1 -23.239 2.047 -2.040
6 HB3 SER 1 HB3 SER 1 -22.639 0.488 -2.597
7 HG SER 1 HG SER 1 -24.789 0.208 -2.229
8 H ASP 2 H ASP 2 -21.779 3.427 -1.111
9 HA ASP 2 HA ASP 2 -19.219 3.423 -2.339
10 HB2 ASP 2 HB2 ASP 2 -20.797 5.487 -0.782
11 HB3 ASP 2 HB3 ASP 2 -19.301 5.881 -1.627
12 H ALA 3 H ALA 3 -20.094 3.908 1.103
13 HA ALA 3 HA ALA 3 -17.492 4.488 2.111
14 HB1 ALA 3 HB1 ALA 3 -19.606 4.760 3.352
15 HB2 ALA 3 HB2 ALA 3 -18.496 3.731 4.258
16 HB3 ALA 3 HB3 ALA 3 -19.834 3.011 3.362
17 H ALA 4 H ALA 4 -19.150 1.355 1.624
18 HA ALA 4 HA ALA 4 -17.081 -0.308 2.733
19 HB1 ALA 4 HB1 ALA 4 -19.475 -0.919 2.264
20 HB2 ALA 4 HB2 ALA 4 -18.323 -2.083 1.608
21 HB3 ALA 4 HB3 ALA 4 -19.095 -0.910 0.542
22 H ALA 5 H ALA 5 -17.710 0.880 -0.579
23 HA ALA 5 HA ALA 5 -15.651 -0.600 -1.911
24 HB1 ALA 5 HB1 ALA 5 -16.843 2.135 -2.494
25 HB2 ALA 5 HB2 ALA 5 -17.533 0.593 -3.000
26 HB3 ALA 5 HB3 ALA 5 -15.987 1.126 -3.659
27 H ARG 6 H ARG 6 -15.593 2.614 -0.322
28 HA ARG 6 HA ARG 6 -12.905 3.264 -1.071
29 HB2 ARG 6 HB2 ARG 6 -13.268 5.130 0.251
30 HB3 ARG 6 HB3 ARG 6 -14.935 4.596 0.074
31 HG2 ARG 6 HG2 ARG 6 -14.846 4.838 2.371
32 HG3 ARG 6 HG3 ARG 6 -14.330 3.159 2.238
33 HD2 ARG 6 HD2 ARG 6 -12.600 3.961 3.560
34 HD3 ARG 6 HD3 ARG 6 -11.922 4.358 1.968
35 HE ARG 6 HE ARG 6 -12.837 6.647 2.238
36 HH11 ARG 6 HH11 ARG 6 -14.781 5.697 4.461
37 HH12 ARG 6 HH12 ARG 6 -14.079 6.475 5.842
38 HH21 ARG 6 HH21 ARG 6 -11.070 7.169 4.239
39 HH22 ARG 6 HH22 ARG 6 -11.965 7.310 5.715
40 H VAL 7 H VAL 7 -14.243 1.336 1.535
41 HA VAL 7 HA VAL 7 -11.844 1.027 3.102
42 HB VAL 7 HB VAL 7 -14.267 -0.767 2.675
43 HG11 VAL 7 HG11 VAL 7 -12.133 -0.788 4.831
44 HG12 VAL 7 HG12 VAL 7 -12.442 -2.058 3.647
45 HG13 VAL 7 HG13 VAL 7 -13.632 -1.713 4.902
46 HG21 VAL 7 HG21 VAL 7 -15.373 0.524 4.190
47 HG22 VAL 7 HG22 VAL 7 -14.185 1.755 3.764
48 HG23 VAL 7 HG23 VAL 7 -13.936 0.746 5.189
49 H THR 8 H THR 8 -13.231 -0.754 0.333
50 HA THR 8 HA THR 8 -11.257 -2.841 0.228
51 HB THR 8 HB THR 8 -12.829 -1.609 -2.051
52 HG1 THR 8 HG1 THR 8 -13.612 -3.471 -0.061
53 HG21 THR 8 HG21 THR 8 -12.861 -4.015 -2.817
54 HG22 THR 8 HG22 THR 8 -11.724 -4.377 -1.519
55 HG23 THR 8 HG23 THR 8 -11.261 -3.272 -2.814
56 H ALA 9 H ALA 9 -11.440 0.392 -1.180
57 HA ALA 9 HA ALA 9 -9.106 0.207 -2.853
58 HB1 ALA 9 HB1 ALA 9 -11.041 1.903 -2.853
59 HB2 ALA 9 HB2 ALA 9 -9.426 2.563 -3.105
60 HB3 ALA 9 HB3 ALA 9 -10.194 2.694 -1.523
61 H ILE 10 H ILE 10 -9.591 1.194 0.501
62 HA ILE 10 HA ILE 10 -6.971 2.202 1.053
63 HB ILE 10 HB ILE 10 -9.122 0.840 2.702
64 HG12 ILE 10 HG12 ILE 10 -9.568 3.111 1.750
65 HG13 ILE 10 HG13 ILE 10 -9.548 3.103 3.512
66 HG21 ILE 10 HG21 ILE 10 -6.411 1.854 3.534
67 HG22 ILE 10 HG22 ILE 10 -7.244 0.379 4.027
68 HG23 ILE 10 HG23 ILE 10 -7.772 1.941 4.654
69 HD11 ILE 10 HD11 ILE 10 -7.159 3.857 3.437
70 HD12 ILE 10 HD12 ILE 10 -8.277 5.022 2.727
71 HD13 ILE 10 HD13 ILE 10 -7.297 3.993 1.684
72 H LEU 11 H LEU 11 -8.326 -1.092 1.158
73 HA LEU 11 HA LEU 11 -5.993 -2.420 2.181
74 HB2 LEU 11 HB2 LEU 11 -8.576 -3.078 0.902
75 HB3 LEU 11 HB3 LEU 11 -7.311 -4.281 0.655
76 HG LEU 11 HG LEU 11 -6.916 -3.969 3.244
77 HD11 LEU 11 HD11 LEU 11 -8.499 -2.091 3.481
78 HD12 LEU 11 HD12 LEU 11 -9.025 -3.478 4.437
79 HD13 LEU 11 HD13 LEU 11 -9.809 -3.119 2.899
80 HD21 LEU 11 HD21 LEU 11 -8.703 -5.731 3.642
81 HD22 LEU 11 HD22 LEU 11 -7.594 -6.086 2.318
82 HD23 LEU 11 HD23 LEU 11 -9.215 -5.482 1.973
83 H SER 12 H SER 12 -7.119 -1.705 -1.096
84 HA SER 12 HA SER 12 -4.987 -3.084 -2.488
85 HB2 SER 12 HB2 SER 12 -6.959 -0.895 -3.182
86 HB3 SER 12 HB3 SER 12 -5.819 -1.533 -4.364
87 HG SER 12 HG SER 12 -7.004 -3.263 -4.521
88 H SER 13 H SER 13 -5.496 0.316 -1.510
89 HA SER 13 HA SER 13 -3.123 1.433 -2.650
90 HB2 SER 13 HB2 SER 13 -4.847 2.119 -0.255
91 HB3 SER 13 HB3 SER 13 -3.533 3.157 -0.802
92 HG SER 13 HG SER 13 -6.007 2.620 -1.948
93 H LEU 14 H LEU 14 -3.706 -0.230 0.442
94 HA LEU 14 HA LEU 14 -1.269 0.370 1.780
95 HB2 LEU 14 HB2 LEU 14 -3.369 -1.748 1.830
96 HB3 LEU 14 HB3 LEU 14 -1.858 -2.111 2.664
97 HG LEU 14 HG LEU 14 -3.233 0.530 3.113
98 HD11 LEU 14 HD11 LEU 14 -4.941 -1.204 3.511
99 HD12 LEU 14 HD12 LEU 14 -4.416 -0.483 5.033
100 HD13 LEU 14 HD13 LEU 14 -3.821 -2.074 4.558
101 HD21 LEU 14 HD21 LEU 14 -2.086 0.297 5.309
102 HD22 LEU 14 HD22 LEU 14 -0.948 0.218 3.964
103 HD23 LEU 14 HD23 LEU 14 -1.441 -1.260 4.790
104 H THR 15 H THR 15 -2.012 -2.105 -0.673
105 HA THR 15 HA THR 15 0.396 -3.633 -0.500
106 HB THR 15 HB THR 15 -1.231 -2.975 -2.979
107 HG1 THR 15 HG1 THR 15 -2.810 -3.827 -1.906
108 HG21 THR 15 HG21 THR 15 -0.640 -5.351 -3.542
109 HG22 THR 15 HG22 THR 15 0.416 -5.370 -2.130
110 HG23 THR 15 HG23 THR 15 0.752 -4.271 -3.467
111 H VAL 16 H VAL 16 -0.404 -0.764 -2.496
112 HA VAL 16 HA VAL 16 2.130 -0.567 -3.842
113 HB VAL 16 HB VAL 16 -0.056 1.421 -3.132
114 HG11 VAL 16 HG11 VAL 16 2.444 1.757 -4.800
115 HG12 VAL 16 HG12 VAL 16 1.850 2.796 -3.504
116 HG13 VAL 16 HG13 VAL 16 1.013 2.757 -5.056
117 HG21 VAL 16 HG21 VAL 16 -0.767 -0.338 -4.657
118 HG22 VAL 16 HG22 VAL 16 0.669 -0.103 -5.655
119 HG23 VAL 16 HG23 VAL 16 -0.568 1.154 -5.578
120 H THR 17 H THR 17 0.899 0.902 -0.811
121 HA THR 17 HA THR 17 3.154 2.546 -0.213
122 HB THR 17 HB THR 17 1.322 1.050 1.696
123 HG1 THR 17 HG1 THR 17 -0.180 2.423 1.160
124 HG21 THR 17 HG21 THR 17 2.740 3.714 1.983
125 HG22 THR 17 HG22 THR 17 3.293 2.204 2.710
126 HG23 THR 17 HG23 THR 17 1.755 2.911 3.207
127 H GLN 18 H GLN 18 2.496 -0.889 0.538
128 HA GLN 18 HA GLN 18 4.796 -1.349 2.179
129 HB2 GLN 18 HB2 GLN 18 2.619 -2.797 1.025
130 HB3 GLN 18 HB3 GLN 18 4.100 -3.671 0.640
131 HG2 GLN 18 HG2 GLN 18 3.381 -2.720 3.428
132 HG3 GLN 18 HG3 GLN 18 3.063 -4.348 2.832
133 HE21 GLN 18 HE21 GLN 18 5.218 -2.801 4.739
134 HE22 GLN 18 HE22 GLN 18 6.629 -3.675 4.384
135 H LEU 19 H LEU 19 4.299 -1.645 -1.309
136 HA LEU 19 HA LEU 19 6.852 -2.717 -2.011
137 HB2 LEU 19 HB2 LEU 19 4.565 -2.116 -3.313
138 HB3 LEU 19 HB3 LEU 19 5.523 -0.710 -3.780
139 HG LEU 19 HG LEU 19 7.355 -2.291 -4.485
140 HD11 LEU 19 HD11 LEU 19 5.186 -4.290 -3.822
141 HD12 LEU 19 HD12 LEU 19 6.858 -4.273 -3.261
142 HD13 LEU 19 HD13 LEU 19 6.496 -4.669 -4.941
143 HD21 LEU 19 HD21 LEU 19 6.261 -2.914 -6.589
144 HD22 LEU 19 HD22 LEU 19 5.732 -1.305 -6.095
145 HD23 LEU 19 HD23 LEU 19 4.674 -2.695 -5.850
146 H LEU 20 H LEU 20 5.726 0.647 -1.628
147 HA LEU 20 HA LEU 20 8.202 1.929 -2.352
148 HB2 LEU 20 HB2 LEU 20 5.602 2.586 -1.099
149 HB3 LEU 20 HB3 LEU 20 6.933 3.629 -0.598
150 HG LEU 20 HG LEU 20 7.461 3.678 -3.188
151 HD11 LEU 20 HD11 LEU 20 4.474 3.152 -3.150
152 HD12 LEU 20 HD12 LEU 20 5.684 1.998 -3.710
153 HD13 LEU 20 HD13 LEU 20 5.456 3.523 -4.566
154 HD21 LEU 20 HD21 LEU 20 6.869 5.649 -1.856
155 HD22 LEU 20 HD22 LEU 20 5.166 5.192 -1.901
156 HD23 LEU 20 HD23 LEU 20 5.989 5.678 -3.383
157 H ARG 21 H ARG 21 6.858 0.766 0.753
158 HA ARG 21 HA ARG 21 8.870 1.795 2.498
159 HB2 ARG 21 HB2 ARG 21 6.599 0.642 2.960
160 HB3 ARG 21 HB3 ARG 21 7.477 -0.878 2.784
161 HG2 ARG 21 HG2 ARG 21 7.489 -0.357 5.125
162 HG3 ARG 21 HG3 ARG 21 9.111 -0.007 4.526
163 HD2 ARG 21 HD2 ARG 21 8.592 2.383 4.387
164 HD3 ARG 21 HD3 ARG 21 6.915 2.070 4.874
165 HE ARG 21 HE ARG 21 9.022 1.073 6.702
166 HH11 ARG 21 HH21 ARG 21 9.184 3.990 6.898
167 HH12 ARG 21 HH22 ARG 21 7.959 4.386 8.057
168 HH21 ARG 21 HH11 ARG 21 6.329 1.328 7.763
169 HH22 ARG 21 HH12 ARG 21 6.333 2.872 8.547
170 H ARG 22 H ARG 22 8.748 -1.179 0.535
171 HA ARG 22 HA ARG 22 11.114 -2.445 1.539
172 HB2 ARG 22 HB2 ARG 22 9.314 -2.576 -0.810
173 HB3 ARG 22 HB3 ARG 22 10.947 -3.174 -1.105
174 HG2 ARG 22 HG2 ARG 22 10.257 -5.110 -0.171
175 HG3 ARG 22 HG3 ARG 22 10.307 -4.256 1.372
176 HD2 ARG 22 HD2 ARG 22 7.984 -3.783 1.323
177 HD3 ARG 22 HD3 ARG 22 7.867 -4.127 -0.414
178 HE ARG 22 HE ARG 22 7.972 -6.135 1.735
179 HH11 ARG 22 HH21 ARG 22 6.405 -5.947 -0.990
180 HH12 ARG 22 HH22 ARG 22 7.075 -7.326 -1.800
181 HH21 ARG 22 HH11 ARG 22 9.716 -7.680 0.432
182 HH22 ARG 22 HH12 ARG 22 8.954 -8.311 -0.989
183 H LEU 23 H LEU 23 10.608 -0.194 -1.201
184 HA LEU 23 HA LEU 23 13.295 -0.056 -2.139
185 HB2 LEU 23 HB2 LEU 23 11.235 0.824 -3.251
186 HB3 LEU 23 HB3 LEU 23 11.152 2.098 -2.037
187 HG LEU 23 HG LEU 23 13.792 1.895 -3.306
188 HD11 LEU 23 HD11 LEU 23 12.443 1.258 -5.255
189 HD12 LEU 23 HD12 LEU 23 13.047 2.903 -5.452
190 HD13 LEU 23 HD13 LEU 23 11.369 2.631 -4.980
191 HD21 LEU 23 HD21 LEU 23 13.283 3.799 -1.953
192 HD22 LEU 23 HD22 LEU 23 11.743 4.060 -2.772
193 HD23 LEU 23 HD23 LEU 23 13.257 4.384 -3.616
194 H HIS 24 H HIS 24 11.596 1.948 0.300
195 HA HIS 24 HA HIS 24 13.835 3.638 0.954
196 HB2 HIS 24 HB2 HIS 24 11.239 2.807 2.247
197 HB3 HIS 24 HB3 HIS 24 12.378 3.815 3.139
198 HD1 HIS 24 HD1 HIS 24 12.419 6.268 2.582
199 HD2 HIS 24 HD2 HIS 24 10.368 4.051 -0.289
200 HE1 HIS 24 HE1 HIS 24 11.362 7.944 1.004
201 H GLN 25 H GLN 25 12.637 0.562 2.312
202 HA GLN 25 HA GLN 25 14.424 0.319 4.525
203 HB2 GLN 25 HB2 GLN 25 12.347 -1.036 3.862
204 HB3 GLN 25 HB3 GLN 25 13.398 -1.917 2.754
205 HG2 GLN 25 HG2 GLN 25 14.891 -2.453 4.709
206 HG3 GLN 25 HG3 GLN 25 13.679 -1.726 5.766
207 HE21 GLN 25 HE21 GLN 25 14.148 -4.383 3.399
208 HE22 GLN 25 HE22 GLN 25 12.879 -5.341 3.992
209 H TRP 26 H TRP 26 14.816 -0.454 1.079
210 HA TRP 26 HA TRP 26 17.350 -1.841 1.315
211 HB2 TRP 26 HB2 TRP 26 15.783 -0.459 -0.871
212 HB3 TRP 26 HB3 TRP 26 17.378 -1.129 -1.198
213 HD1 TRP 26 HD1 TRP 26 15.093 -2.908 1.271
214 HE1 TRP 26 HE1 TRP 26 14.338 -5.152 0.254
215 HE3 TRP 26 HE3 TRP 26 16.887 -2.371 -3.482
216 HZ2 TRP 26 HZ2 TRP 26 14.478 -6.538 -2.244
217 HZ3 TRP 26 HZ3 TRP 26 16.561 -4.166 -5.158
218 HH2 TRP 26 HH2 TRP 26 15.360 -6.247 -4.545
219 H ILE 27 H ILE 27 16.397 1.552 0.923
220 HA ILE 27 HA ILE 27 19.085 2.556 0.402
221 HB ILE 27 HB ILE 27 16.503 3.872 1.324
222 HG12 ILE 27 HG12 ILE 27 16.434 2.682 -0.896
223 HG13 ILE 27 HG13 ILE 27 16.161 4.418 -1.016
224 HG21 ILE 27 HG21 ILE 27 19.163 4.986 0.450
225 HG22 ILE 27 HG22 ILE 27 18.166 5.454 1.827
226 HG23 ILE 27 HG23 ILE 27 17.678 5.903 0.193
227 HD11 ILE 27 HD11 ILE 27 18.115 4.782 -2.136
228 HD12 ILE 27 HD12 ILE 27 17.950 3.078 -2.557
229 HD13 ILE 27 HD13 ILE 27 18.991 3.557 -1.218
230 H SER 28 H SER 28 16.982 2.284 3.275
231 HA SER 28 HA SER 28 19.379 2.620 5.015
232 HB2 SER 28 HB2 SER 28 17.032 4.432 4.714
233 HB3 SER 28 HB3 SER 28 17.589 4.139 6.359
234 HG SER 28 HG SER 28 19.290 4.891 4.209
Start of MODEL 4
1 H1 SER 1 H1 SER 1 -23.006 4.803 -6.341
2 H2 SER 1 H2 SER 1 -23.562 3.200 -6.253
3 H3 SER 1 H3 SER 1 -21.906 3.518 -6.469
4 HA SER 1 HA SER 1 -22.017 4.728 -4.234
5 HB2 SER 1 HB2 SER 1 -23.972 3.622 -2.899
6 HB3 SER 1 HB3 SER 1 -24.349 4.964 -3.974
7 HG SER 1 HG SER 1 -24.846 2.216 -4.260
8 H ASP 2 H ASP 2 -20.177 3.558 -3.724
9 HA ASP 2 HA ASP 2 -20.531 0.648 -3.092
10 HB2 ASP 2 HB2 ASP 2 -18.456 2.073 -4.772
11 HB3 ASP 2 HB3 ASP 2 -18.145 0.481 -4.081
12 H ALA 3 H ALA 3 -20.689 1.648 -0.842
13 HA ALA 3 HA ALA 3 -18.476 3.057 0.352
14 HB1 ALA 3 HB1 ALA 3 -20.683 1.322 1.512
15 HB2 ALA 3 HB2 ALA 3 -20.753 3.066 1.252
16 HB3 ALA 3 HB3 ALA 3 -19.656 2.398 2.461
17 H ALA 4 H ALA 4 -19.419 -0.407 0.463
18 HA ALA 4 HA ALA 4 -17.231 -1.316 2.067
19 HB1 ALA 4 HB1 ALA 4 -19.384 -2.505 1.478
20 HB2 ALA 4 HB2 ALA 4 -17.941 -3.503 1.301
21 HB3 ALA 4 HB3 ALA 4 -18.710 -2.803 -0.123
22 H ALA 5 H ALA 5 -17.580 -1.000 -1.478
23 HA ALA 5 HA ALA 5 -15.069 -2.211 -2.180
24 HB1 ALA 5 HB1 ALA 5 -17.178 -1.550 -3.581
25 HB2 ALA 5 HB2 ALA 5 -15.591 -1.409 -4.340
26 HB3 ALA 5 HB3 ALA 5 -16.397 0.027 -3.708
27 H ARG 6 H ARG 6 -15.974 1.157 -1.385
28 HA ARG 6 HA ARG 6 -13.438 2.333 -2.029
29 HB2 ARG 6 HB2 ARG 6 -15.696 3.049 -0.148
30 HB3 ARG 6 HB3 ARG 6 -14.297 4.100 -0.364
31 HG2 ARG 6 HG2 ARG 6 -15.744 3.118 -2.801
32 HG3 ARG 6 HG3 ARG 6 -16.464 4.421 -1.859
33 HD2 ARG 6 HD2 ARG 6 -15.086 5.461 -3.555
34 HD3 ARG 6 HD3 ARG 6 -14.207 5.622 -2.023
35 HE ARG 6 HE ARG 6 -12.654 3.962 -2.771
36 HH11 ARG 6 HH21 ARG 6 -14.643 2.033 -3.954
37 HH12 ARG 6 HH22 ARG 6 -14.257 2.110 -5.639
38 HH21 ARG 6 HH11 ARG 6 -12.435 5.058 -5.353
39 HH22 ARG 6 HH12 ARG 6 -13.001 3.831 -6.437
40 H VAL 7 H VAL 7 -14.680 0.742 0.845
41 HA VAL 7 HA VAL 7 -12.513 1.337 2.638
42 HB VAL 7 HB VAL 7 -14.418 -1.027 2.420
43 HG11 VAL 7 HG11 VAL 7 -13.902 -1.222 4.913
44 HG12 VAL 7 HG12 VAL 7 -12.529 -0.155 4.619
45 HG13 VAL 7 HG13 VAL 7 -12.611 -1.728 3.823
46 HG21 VAL 7 HG21 VAL 7 -14.801 0.918 4.578
47 HG22 VAL 7 HG22 VAL 7 -15.971 0.286 3.421
48 HG23 VAL 7 HG23 VAL 7 -14.944 1.647 2.980
49 H THR 8 H THR 8 -13.070 -1.238 0.232
50 HA THR 8 HA THR 8 -10.674 -2.745 0.807
51 HB THR 8 HB THR 8 -12.268 -2.509 -1.764
52 HG1 THR 8 HG1 THR 8 -13.784 -3.542 -0.765
53 HG21 THR 8 HG21 THR 8 -11.454 -4.720 -2.255
54 HG22 THR 8 HG22 THR 8 -10.728 -4.868 -0.655
55 HG23 THR 8 HG23 THR 8 -10.055 -3.735 -1.827
56 H ALA 9 H ALA 9 -11.445 -0.073 -1.362
57 HA ALA 9 HA ALA 9 -9.005 -0.024 -2.858
58 HB1 ALA 9 HB1 ALA 9 -10.629 2.406 -2.111
59 HB2 ALA 9 HB2 ALA 9 -11.295 1.175 -3.185
60 HB3 ALA 9 HB3 ALA 9 -9.834 2.051 -3.645
61 H ILE 10 H ILE 10 -9.922 1.462 0.211
62 HA ILE 10 HA ILE 10 -7.604 3.105 0.602
63 HB ILE 10 HB ILE 10 -9.506 1.666 2.486
64 HG12 ILE 10 HG12 ILE 10 -9.356 4.632 2.002
65 HG13 ILE 10 HG13 ILE 10 -10.190 3.602 0.840
66 HG21 ILE 10 HG21 ILE 10 -7.657 2.062 3.882
67 HG22 ILE 10 HG22 ILE 10 -8.626 3.519 4.103
68 HG23 ILE 10 HG23 ILE 10 -7.219 3.550 3.039
69 HD11 ILE 10 HD11 ILE 10 -10.903 4.229 3.672
70 HD12 ILE 10 HD12 ILE 10 -11.300 2.624 3.061
71 HD13 ILE 10 HD13 ILE 10 -11.951 4.055 2.264
72 H LEU 11 H LEU 11 -8.314 -0.288 1.410
73 HA LEU 11 HA LEU 11 -5.837 -0.882 2.738
74 HB2 LEU 11 HB2 LEU 11 -8.200 -2.102 2.476
75 HB3 LEU 11 HB3 LEU 11 -7.348 -2.933 1.174
76 HG LEU 11 HG LEU 11 -5.882 -2.693 3.749
77 HD11 LEU 11 HD11 LEU 11 -8.238 -4.571 3.387
78 HD12 LEU 11 HD12 LEU 11 -8.165 -3.223 4.521
79 HD13 LEU 11 HD13 LEU 11 -7.094 -4.608 4.727
80 HD21 LEU 11 HD21 LEU 11 -6.365 -4.972 1.800
81 HD22 LEU 11 HD22 LEU 11 -5.202 -4.976 3.124
82 HD23 LEU 11 HD23 LEU 11 -4.982 -3.878 1.762
83 H SER 12 H SER 12 -6.891 -1.139 -0.637
84 HA SER 12 HA SER 12 -4.595 -2.470 -1.706
85 HB2 SER 12 HB2 SER 12 -6.932 -1.870 -2.706
86 HB3 SER 12 HB3 SER 12 -6.173 -0.346 -3.157
87 HG SER 12 HG SER 12 -5.972 -2.747 -4.328
88 H SER 13 H SER 13 -5.309 1.020 -1.328
89 HA SER 13 HA SER 13 -2.897 2.021 -2.515
90 HB2 SER 13 HB2 SER 13 -5.114 3.182 -1.821
91 HB3 SER 13 HB3 SER 13 -4.402 3.287 -0.215
92 HG SER 13 HG SER 13 -2.744 4.513 -1.054
93 H LEU 14 H LEU 14 -3.705 1.085 0.833
94 HA LEU 14 HA LEU 14 -1.297 1.945 2.110
95 HB2 LEU 14 HB2 LEU 14 -3.660 0.365 2.652
96 HB3 LEU 14 HB3 LEU 14 -2.244 -0.441 3.328
97 HG LEU 14 HG LEU 14 -1.893 2.285 3.927
98 HD11 LEU 14 HD11 LEU 14 -4.178 2.837 3.504
99 HD12 LEU 14 HD12 LEU 14 -4.050 2.657 5.254
100 HD13 LEU 14 HD13 LEU 14 -4.754 1.364 4.283
101 HD21 LEU 14 HD21 LEU 14 -2.999 0.086 5.703
102 HD22 LEU 14 HD22 LEU 14 -2.105 1.513 6.227
103 HD23 LEU 14 HD23 LEU 14 -1.294 0.260 5.285
104 H THR 15 H THR 15 -2.139 -1.144 0.517
105 HA THR 15 HA THR 15 0.258 -2.582 1.124
106 HB THR 15 HB THR 15 -1.530 -2.720 -1.330
107 HG1 THR 15 HG1 THR 15 -2.972 -3.467 -0.023
108 HG21 THR 15 HG21 THR 15 -0.866 -5.138 -1.269
109 HG22 THR 15 HG22 THR 15 0.296 -4.740 -0.002
110 HG23 THR 15 HG23 THR 15 0.477 -4.048 -1.615
111 H VAL 16 H VAL 16 -0.573 -0.432 -1.608
112 HA VAL 16 HA VAL 16 1.849 -0.793 -3.109
113 HB VAL 16 HB VAL 16 -0.082 1.547 -2.877
114 HG11 VAL 16 HG11 VAL 16 0.750 1.984 -5.255
115 HG12 VAL 16 HG12 VAL 16 2.076 0.880 -4.893
116 HG13 VAL 16 HG13 VAL 16 1.884 2.366 -3.961
117 HG21 VAL 16 HG21 VAL 16 -0.269 -0.051 -5.285
118 HG22 VAL 16 HG22 VAL 16 -1.518 0.298 -4.090
119 HG23 VAL 16 HG23 VAL 16 -0.442 -1.080 -3.864
120 H THR 17 H THR 17 0.928 1.614 -0.617
121 HA THR 17 HA THR 17 3.337 3.162 -0.676
122 HB THR 17 HB THR 17 1.498 2.560 1.669
123 HG1 THR 17 HG1 THR 17 0.046 3.546 0.548
124 HG21 THR 17 HG21 THR 17 3.466 3.800 2.346
125 HG22 THR 17 HG22 THR 17 2.102 4.917 2.291
126 HG23 THR 17 HG23 THR 17 3.287 4.908 0.985
127 H GLN 18 H GLN 18 2.435 0.260 1.209
128 HA GLN 18 HA GLN 18 4.787 0.140 2.843
129 HB2 GLN 18 HB2 GLN 18 2.705 -1.802 1.863
130 HB3 GLN 18 HB3 GLN 18 4.058 -2.374 2.838
131 HG2 GLN 18 HG2 GLN 18 2.950 0.007 4.033
132 HG3 GLN 18 HG3 GLN 18 1.663 -1.166 3.757
133 HE21 GLN 18 HE21 GLN 18 1.397 -2.523 5.539
134 HE22 GLN 18 HE22 GLN 18 2.648 -3.055 6.554
135 H LEU 19 H LEU 19 4.003 -1.436 -0.233
136 HA LEU 19 HA LEU 19 6.390 -2.901 -0.648
137 HB2 LEU 19 HB2 LEU 19 4.165 -1.787 -2.232
138 HB3 LEU 19 HB3 LEU 19 5.651 -1.986 -3.158
139 HG LEU 19 HG LEU 19 4.263 -4.020 -3.273
140 HD11 LEU 19 HD11 LEU 19 6.002 -5.564 -2.876
141 HD12 LEU 19 HD12 LEU 19 6.615 -4.656 -1.495
142 HD13 LEU 19 HD13 LEU 19 6.850 -4.039 -3.130
143 HD21 LEU 19 HD21 LEU 19 3.075 -3.891 -1.172
144 HD22 LEU 19 HD22 LEU 19 4.582 -3.966 -0.257
145 HD23 LEU 19 HD23 LEU 19 4.023 -5.378 -1.154
146 H LEU 20 H LEU 20 5.651 0.516 -1.328
147 HA LEU 20 HA LEU 20 8.129 1.199 -2.619
148 HB2 LEU 20 HB2 LEU 20 5.919 2.459 -2.562
149 HB3 LEU 20 HB3 LEU 20 6.321 2.944 -0.916
150 HG LEU 20 HG LEU 20 8.586 3.437 -2.626
151 HD11 LEU 20 HD11 LEU 20 5.915 4.525 -3.552
152 HD12 LEU 20 HD12 LEU 20 7.095 3.621 -4.500
153 HD13 LEU 20 HD13 LEU 20 7.456 5.268 -3.983
154 HD21 LEU 20 HD21 LEU 20 8.145 4.561 -0.487
155 HD22 LEU 20 HD22 LEU 20 6.663 5.260 -1.139
156 HD23 LEU 20 HD23 LEU 20 8.229 5.754 -1.783
157 H ARG 21 H ARG 21 7.066 1.276 0.802
158 HA ARG 21 HA ARG 21 9.407 2.514 1.903
159 HB2 ARG 21 HB2 ARG 21 7.044 1.951 2.877
160 HB3 ARG 21 HB3 ARG 21 7.764 0.393 3.286
161 HG2 ARG 21 HG2 ARG 21 9.584 1.591 4.499
162 HG3 ARG 21 HG3 ARG 21 8.769 3.118 4.161
163 HD2 ARG 21 HD2 ARG 21 7.760 2.722 6.188
164 HD3 ARG 21 HD3 ARG 21 6.709 1.656 5.237
165 HE ARG 21 HE ARG 21 9.218 0.402 6.112
166 HH11 ARG 21 HH11 ARG 21 8.004 1.055 8.677
167 HH12 ARG 21 HH12 ARG 21 6.895 -0.247 8.952
168 HH21 ARG 21 HH21 ARG 21 6.877 -1.281 5.633
169 HH22 ARG 21 HH22 ARG 21 6.251 -1.571 7.223
170 H ARG 22 H ARG 22 8.572 -0.916 1.343
171 HA ARG 22 HA ARG 22 10.896 -2.106 2.513
172 HB2 ARG 22 HB2 ARG 22 8.804 -2.813 0.486
173 HB3 ARG 22 HB3 ARG 22 10.213 -3.864 0.616
174 HG2 ARG 22 HG2 ARG 22 9.389 -3.303 3.270
175 HG3 ARG 22 HG3 ARG 22 7.927 -3.694 2.365
176 HD2 ARG 22 HD2 ARG 22 8.763 -5.798 3.154
177 HD3 ARG 22 HD3 ARG 22 9.252 -5.723 1.449
178 HE ARG 22 HE ARG 22 11.403 -4.572 2.592
179 HH11 ARG 22 HH11 ARG 22 10.566 -5.703 5.258
180 HH12 ARG 22 HH12 ARG 22 11.430 -7.203 5.296
181 HH21 ARG 22 HH21 ARG 22 12.098 -7.202 1.883
182 HH22 ARG 22 HH22 ARG 22 12.299 -8.057 3.375
183 H LEU 23 H LEU 23 10.232 -1.043 -0.834
184 HA LEU 23 HA LEU 23 12.673 -1.848 -2.057
185 HB2 LEU 23 HB2 LEU 23 10.517 -0.992 -3.095
186 HB3 LEU 23 HB3 LEU 23 11.022 0.633 -2.635
187 HG LEU 23 HG LEU 23 13.146 -0.827 -4.015
188 HD11 LEU 23 HD11 LEU 23 11.125 -1.838 -5.115
189 HD12 LEU 23 HD12 LEU 23 12.119 -0.883 -6.216
190 HD13 LEU 23 HD13 LEU 23 10.618 -0.212 -5.576
191 HD21 LEU 23 HD21 LEU 23 11.683 1.731 -4.738
192 HD22 LEU 23 HD22 LEU 23 13.306 1.255 -5.237
193 HD23 LEU 23 HD23 LEU 23 12.983 1.653 -3.549
194 H HIS 24 H HIS 24 11.817 1.190 -0.376
195 HA HIS 24 HA HIS 24 14.282 2.585 -0.829
196 HB2 HIS 24 HB2 HIS 24 12.000 2.694 1.125
197 HB3 HIS 24 HB3 HIS 24 13.419 3.697 1.416
198 HD1 HIS 24 HD1 HIS 24 10.580 3.206 -1.001
199 HD2 HIS 24 HD2 HIS 24 13.779 5.822 -0.437
200 HE1 HIS 24 HE1 HIS 24 10.207 5.151 -2.583
201 H GLN 25 H GLN 25 13.238 0.351 1.749
202 HA GLN 25 HA GLN 25 15.543 0.637 3.446
203 HB2 GLN 25 HB2 GLN 25 13.175 -0.490 3.741
204 HB3 GLN 25 HB3 GLN 25 13.997 -1.925 3.129
205 HG2 GLN 25 HG2 GLN 25 15.557 -0.535 5.180
206 HG3 GLN 25 HG3 GLN 25 13.985 -1.071 5.774
207 HE21 GLN 25 HE21 GLN 25 17.074 -2.205 4.443
208 HE22 GLN 25 HE22 GLN 25 16.826 -3.843 4.808
209 H TRP 26 H TRP 26 14.865 -1.412 0.623
210 HA TRP 26 HA TRP 26 17.195 -3.108 0.859
211 HB2 TRP 26 HB2 TRP 26 15.064 -3.503 -0.460
212 HB3 TRP 26 HB3 TRP 26 15.635 -2.302 -1.618
213 HD1 TRP 26 HD1 TRP 26 16.523 -3.542 -3.647
214 HE1 TRP 26 HE1 TRP 26 18.066 -5.567 -4.045
215 HE3 TRP 26 HE3 TRP 26 17.273 -5.044 1.176
216 HZ2 TRP 26 HZ2 TRP 26 19.435 -7.563 -2.521
217 HZ3 TRP 26 HZ3 TRP 26 18.699 -7.006 1.674
218 HH2 TRP 26 HH2 TRP 26 19.781 -8.267 -0.166
219 H ILE 27 H ILE 27 16.580 0.033 -0.665
220 HA ILE 27 HA ILE 27 19.169 0.129 -2.043
221 HB ILE 27 HB ILE 27 16.990 2.165 -1.452
222 HG12 ILE 27 HG12 ILE 27 17.667 0.955 -4.129
223 HG13 ILE 27 HG13 ILE 27 16.628 0.085 -3.000
224 HG21 ILE 27 HG21 ILE 27 19.115 3.320 -1.825
225 HG22 ILE 27 HG22 ILE 27 18.083 3.514 -3.242
226 HG23 ILE 27 HG23 ILE 27 19.412 2.355 -3.272
227 HD11 ILE 27 HD11 ILE 27 15.249 2.238 -2.840
228 HD12 ILE 27 HD12 ILE 27 15.145 1.356 -4.363
229 HD13 ILE 27 HD13 ILE 27 16.155 2.797 -4.246
230 H SER 28 H SER 28 17.740 1.543 0.911
231 HA SER 28 HA SER 28 20.508 2.308 1.789
232 HB2 SER 28 HB2 SER 28 17.890 3.785 2.228
233 HB3 SER 28 HB3 SER 28 19.477 4.319 2.772
234 HG SER 28 HG SER 28 18.436 4.122 0.158
Start of MODEL 5
1 H1 SER 1 H1 SER 1 -25.191 4.101 -2.346
2 H2 SER 1 H2 SER 1 -24.803 2.499 -1.929
3 H3 SER 1 H3 SER 1 -24.213 3.172 -3.374
4 HA SER 1 HA SER 1 -22.966 4.841 -2.005
5 HB2 SER 1 HB2 SER 1 -24.207 3.034 0.071
6 HB3 SER 1 HB3 SER 1 -22.736 3.937 0.425
7 HG SER 1 HG SER 1 -24.505 5.185 0.996
8 H ASP 2 H ASP 2 -23.135 1.334 -1.206
9 HA ASP 2 HA ASP 2 -21.517 -0.366 -1.407
10 HB2 ASP 2 HB2 ASP 2 -21.861 0.566 -3.779
11 HB3 ASP 2 HB3 ASP 2 -20.350 1.440 -3.540
12 H ALA 3 H ALA 3 -20.949 1.212 0.726
13 HA ALA 3 HA ALA 3 -18.420 2.573 0.726
14 HB1 ALA 3 HB1 ALA 3 -20.184 2.850 2.420
15 HB2 ALA 3 HB2 ALA 3 -18.679 2.341 3.190
16 HB3 ALA 3 HB3 ALA 3 -19.975 1.173 2.927
17 H ALA 4 H ALA 4 -19.269 -0.849 1.119
18 HA ALA 4 HA ALA 4 -16.920 -1.850 2.339
19 HB1 ALA 4 HB1 ALA 4 -18.973 -3.137 1.907
20 HB2 ALA 4 HB2 ALA 4 -17.583 -3.961 1.201
21 HB3 ALA 4 HB3 ALA 4 -18.679 -3.043 0.170
22 H ALA 5 H ALA 5 -17.561 -1.278 -1.150
23 HA ALA 5 HA ALA 5 -15.048 -2.260 -2.120
24 HB1 ALA 5 HB1 ALA 5 -16.754 -0.020 -3.249
25 HB2 ALA 5 HB2 ALA 5 -17.167 -1.727 -3.410
26 HB3 ALA 5 HB3 ALA 5 -15.692 -1.104 -4.149
27 H ARG 6 H ARG 6 -16.054 0.968 -0.968
28 HA ARG 6 HA ARG 6 -13.660 2.379 -1.648
29 HB2 ARG 6 HB2 ARG 6 -16.115 2.854 -0.364
30 HB3 ARG 6 HB3 ARG 6 -14.895 3.211 0.859
31 HG2 ARG 6 HG2 ARG 6 -13.790 4.785 -0.611
32 HG3 ARG 6 HG3 ARG 6 -14.831 4.328 -1.959
33 HD2 ARG 6 HD2 ARG 6 -16.191 5.255 0.538
34 HD3 ARG 6 HD3 ARG 6 -15.374 6.481 -0.451
35 HE ARG 6 HE ARG 6 -17.335 4.555 -1.648
36 HH11 ARG 6 HH21 ARG 6 -18.576 7.069 -0.686
37 HH12 ARG 6 HH22 ARG 6 -18.461 8.110 -2.066
38 HH21 ARG 6 HH11 ARG 6 -16.067 6.160 -3.665
39 HH22 ARG 6 HH12 ARG 6 -17.039 7.591 -3.761
40 H VAL 7 H VAL 7 -14.549 0.419 1.136
41 HA VAL 7 HA VAL 7 -12.253 0.942 2.783
42 HB VAL 7 HB VAL 7 -14.027 -1.515 2.492
43 HG11 VAL 7 HG11 VAL 7 -13.323 -2.017 4.811
44 HG12 VAL 7 HG12 VAL 7 -12.223 -0.639 4.770
45 HG13 VAL 7 HG13 VAL 7 -11.947 -2.021 3.709
46 HG21 VAL 7 HG21 VAL 7 -15.578 -0.453 3.787
47 HG22 VAL 7 HG22 VAL 7 -14.793 1.015 3.210
48 HG23 VAL 7 HG23 VAL 7 -14.351 0.337 4.777
49 H THR 8 H THR 8 -12.901 -1.429 0.194
50 HA THR 8 HA THR 8 -10.415 -2.866 0.421
51 HB THR 8 HB THR 8 -12.171 -2.437 -2.013
52 HG1 THR 8 HG1 THR 8 -12.420 -4.226 0.173
53 HG21 THR 8 HG21 THR 8 -10.436 -4.774 -1.169
54 HG22 THR 8 HG22 THR 8 -10.017 -3.595 -2.411
55 HG23 THR 8 HG23 THR 8 -11.392 -4.672 -2.647
56 H ALA 9 H ALA 9 -11.421 -0.023 -1.428
57 HA ALA 9 HA ALA 9 -9.051 0.228 -3.034
58 HB1 ALA 9 HB1 ALA 9 -9.969 2.743 -2.913
59 HB2 ALA 9 HB2 ALA 9 -11.358 1.929 -2.193
60 HB3 ALA 9 HB3 ALA 9 -10.827 1.496 -3.818
61 H ILE 10 H ILE 10 -9.950 1.592 0.104
62 HA ILE 10 HA ILE 10 -7.653 3.245 0.523
63 HB ILE 10 HB ILE 10 -9.485 1.697 2.392
64 HG12 ILE 10 HG12 ILE 10 -9.408 4.681 1.984
65 HG13 ILE 10 HG13 ILE 10 -10.263 3.658 0.831
66 HG21 ILE 10 HG21 ILE 10 -7.187 3.548 2.952
67 HG22 ILE 10 HG22 ILE 10 -7.683 2.091 3.814
68 HG23 ILE 10 HG23 ILE 10 -8.595 3.587 4.013
69 HD11 ILE 10 HD11 ILE 10 -11.963 4.109 2.349
70 HD12 ILE 10 HD12 ILE 10 -10.861 4.158 3.726
71 HD13 ILE 10 HD13 ILE 10 -11.318 2.610 3.015
72 H LEU 11 H LEU 11 -8.259 -0.198 1.207
73 HA LEU 11 HA LEU 11 -5.736 -0.759 2.469
74 HB2 LEU 11 HB2 LEU 11 -7.913 -2.083 2.505
75 HB3 LEU 11 HB3 LEU 11 -7.505 -2.629 0.879
76 HG LEU 11 HG LEU 11 -5.217 -3.309 1.953
77 HD11 LEU 11 HD11 LEU 11 -7.002 -3.405 4.399
78 HD12 LEU 11 HD12 LEU 11 -5.810 -2.135 4.125
79 HD13 LEU 11 HD13 LEU 11 -5.287 -3.810 4.305
80 HD21 LEU 11 HD21 LEU 11 -6.975 -4.859 1.073
81 HD22 LEU 11 HD22 LEU 11 -7.744 -4.835 2.659
82 HD23 LEU 11 HD23 LEU 11 -6.127 -5.514 2.474
83 H SER 12 H SER 12 -6.858 -0.910 -0.881
84 HA SER 12 HA SER 12 -4.628 -2.200 -2.085
85 HB2 SER 12 HB2 SER 12 -6.935 -1.536 -3.015
86 HB3 SER 12 HB3 SER 12 -6.237 0.056 -3.301
87 HG SER 12 HG SER 12 -6.132 -1.799 -4.974
88 H SER 13 H SER 13 -5.197 1.301 -1.534
89 HA SER 13 HA SER 13 -2.698 2.160 -2.708
90 HB2 SER 13 HB2 SER 13 -3.296 4.302 -1.626
91 HB3 SER 13 HB3 SER 13 -4.701 3.584 -2.407
92 HG SER 13 HG SER 13 -5.572 3.196 -0.499
93 H LEU 14 H LEU 14 -3.666 1.302 0.617
94 HA LEU 14 HA LEU 14 -1.344 2.197 2.003
95 HB2 LEU 14 HB2 LEU 14 -3.349 -0.034 2.397
96 HB3 LEU 14 HB3 LEU 14 -2.057 0.251 3.564
97 HG LEU 14 HG LEU 14 -3.958 2.428 2.657
98 HD11 LEU 14 HD11 LEU 14 -4.895 0.294 3.946
99 HD12 LEU 14 HD12 LEU 14 -5.424 1.920 4.376
100 HD13 LEU 14 HD13 LEU 14 -4.186 1.113 5.337
101 HD21 LEU 14 HD21 LEU 14 -1.813 3.164 3.633
102 HD22 LEU 14 HD22 LEU 14 -2.100 2.146 5.044
103 HD23 LEU 14 HD23 LEU 14 -3.150 3.527 4.724
104 H THR 15 H THR 15 -2.030 -0.982 0.487
105 HA THR 15 HA THR 15 0.472 -2.217 1.147
106 HB THR 15 HB THR 15 -1.317 -2.676 -1.265
107 HG1 THR 15 HG1 THR 15 -1.535 -3.420 1.452
108 HG21 THR 15 HG21 THR 15 -0.385 -4.814 -1.394
109 HG22 THR 15 HG22 THR 15 0.166 -4.783 0.281
110 HG23 THR 15 HG23 THR 15 1.013 -3.838 -0.944
111 H VAL 16 H VAL 16 -0.551 -0.282 -1.687
112 HA VAL 16 HA VAL 16 1.805 -0.590 -3.270
113 HB VAL 16 HB VAL 16 -0.247 1.620 -2.930
114 HG11 VAL 16 HG11 VAL 16 2.155 1.459 -4.737
115 HG12 VAL 16 HG12 VAL 16 1.526 2.846 -3.849
116 HG13 VAL 16 HG13 VAL 16 0.690 2.271 -5.292
117 HG21 VAL 16 HG21 VAL 16 -0.177 -0.905 -4.281
118 HG22 VAL 16 HG22 VAL 16 -0.220 0.367 -5.502
119 HG23 VAL 16 HG23 VAL 16 -1.477 0.288 -4.267
120 H THR 17 H THR 17 1.008 1.754 -0.685
121 HA THR 17 HA THR 17 3.488 3.240 -0.846
122 HB THR 17 HB THR 17 1.636 2.844 1.530
123 HG1 THR 17 HG1 THR 17 1.413 4.521 -0.744
124 HG21 THR 17 HG21 THR 17 3.508 5.062 0.672
125 HG22 THR 17 HG22 THR 17 3.617 4.070 2.127
126 HG23 THR 17 HG23 THR 17 2.311 5.243 1.954
127 H GLN 18 H GLN 18 2.371 0.513 1.187
128 HA GLN 18 HA GLN 18 4.706 0.298 2.826
129 HB2 GLN 18 HB2 GLN 18 2.293 -1.247 2.155
130 HB3 GLN 18 HB3 GLN 18 3.665 -2.256 2.614
131 HG2 GLN 18 HG2 GLN 18 2.905 -1.833 4.729
132 HG3 GLN 18 HG3 GLN 18 3.837 -0.351 4.532
133 HE21 GLN 18 HE21 GLN 18 2.550 1.579 3.624
134 HE22 GLN 18 HE22 GLN 18 0.912 1.704 4.051
135 H LEU 19 H LEU 19 3.863 -1.215 -0.261
136 HA LEU 19 HA LEU 19 6.126 -2.940 -0.518
137 HB2 LEU 19 HB2 LEU 19 3.974 -2.782 -1.909
138 HB3 LEU 19 HB3 LEU 19 4.731 -1.428 -2.747
139 HG LEU 19 HG LEU 19 6.731 -3.056 -3.102
140 HD11 LEU 19 HD11 LEU 19 6.090 -4.848 -1.641
141 HD12 LEU 19 HD12 LEU 19 5.886 -5.450 -3.286
142 HD13 LEU 19 HD13 LEU 19 4.480 -4.938 -2.354
143 HD21 LEU 19 HD21 LEU 19 4.080 -3.515 -4.512
144 HD22 LEU 19 HD22 LEU 19 5.667 -3.944 -5.149
145 HD23 LEU 19 HD23 LEU 19 5.245 -2.249 -4.904
146 H LEU 20 H LEU 20 5.642 0.480 -1.388
147 HA LEU 20 HA LEU 20 8.209 0.900 -2.630
148 HB2 LEU 20 HB2 LEU 20 5.922 2.261 -2.530
149 HB3 LEU 20 HB3 LEU 20 6.715 3.052 -1.166
150 HG LEU 20 HG LEU 20 8.722 3.396 -2.715
151 HD11 LEU 20 HD11 LEU 20 6.610 2.582 -4.733
152 HD12 LEU 20 HD12 LEU 20 8.166 1.800 -4.453
153 HD13 LEU 20 HD13 LEU 20 8.105 3.417 -5.157
154 HD21 LEU 20 HD21 LEU 20 6.043 4.720 -3.208
155 HD22 LEU 20 HD22 LEU 20 7.542 5.311 -3.926
156 HD23 LEU 20 HD23 LEU 20 7.354 5.287 -2.172
157 H ARG 21 H ARG 21 7.023 1.296 0.729
158 HA ARG 21 HA ARG 21 9.365 2.527 1.824
159 HB2 ARG 21 HB2 ARG 21 7.007 0.962 2.791
160 HB3 ARG 21 HB3 ARG 21 8.347 1.185 3.915
161 HG2 ARG 21 HG2 ARG 21 7.333 3.559 2.391
162 HG3 ARG 21 HG3 ARG 21 6.409 2.982 3.776
163 HD2 ARG 21 HD2 ARG 21 9.381 3.359 4.075
164 HD3 ARG 21 HD3 ARG 21 8.311 4.772 4.159
165 HE ARG 21 HE ARG 21 6.984 3.257 5.858
166 HH11 ARG 21 HH11 ARG 21 9.009 1.097 5.982
167 HH12 ARG 21 HH12 ARG 21 10.001 1.576 7.317
168 HH21 ARG 21 HH21 ARG 21 8.851 4.857 7.332
169 HH22 ARG 21 HH22 ARG 21 9.909 3.714 8.088
170 H ARG 22 H ARG 22 8.435 -0.920 1.561
171 HA ARG 22 HA ARG 22 10.705 -2.050 2.879
172 HB2 ARG 22 HB2 ARG 22 8.676 -2.913 0.833
173 HB3 ARG 22 HB3 ARG 22 10.022 -3.988 1.207
174 HG2 ARG 22 HG2 ARG 22 9.315 -3.410 3.714
175 HG3 ARG 22 HG3 ARG 22 7.754 -3.108 2.948
176 HD2 ARG 22 HD2 ARG 22 7.835 -5.378 1.924
177 HD3 ARG 22 HD3 ARG 22 9.364 -5.683 2.774
178 HE ARG 22 HE ARG 22 6.702 -5.460 4.037
179 HH11 ARG 22 HH21 ARG 22 9.184 -7.388 4.413
180 HH12 ARG 22 HH22 ARG 22 9.587 -7.003 6.053
181 HH21 ARG 22 HH11 ARG 22 7.625 -4.136 6.140
182 HH22 ARG 22 HH12 ARG 22 8.702 -5.157 7.032
183 H LEU 23 H LEU 23 10.121 -1.380 -0.589
184 HA LEU 23 HA LEU 23 12.634 -2.307 -1.589
185 HB2 LEU 23 HB2 LEU 23 10.404 -1.593 -2.742
186 HB3 LEU 23 HB3 LEU 23 11.087 0.033 -2.705
187 HG LEU 23 HG LEU 23 13.199 -1.097 -3.754
188 HD11 LEU 23 HD11 LEU 23 11.009 -3.099 -4.395
189 HD12 LEU 23 HD12 LEU 23 12.474 -3.413 -3.463
190 HD13 LEU 23 HD13 LEU 23 12.585 -3.049 -5.185
191 HD21 LEU 23 HD21 LEU 23 10.628 -0.785 -5.341
192 HD22 LEU 23 HD22 LEU 23 12.260 -0.745 -6.008
193 HD23 LEU 23 HD23 LEU 23 11.726 0.525 -4.909
194 H HIS 24 H HIS 24 11.623 0.880 -0.335
195 HA HIS 24 HA HIS 24 13.944 2.391 -0.988
196 HB2 HIS 24 HB2 HIS 24 11.541 2.788 0.280
197 HB3 HIS 24 HB3 HIS 24 12.666 2.903 1.633
198 HD1 HIS 24 HD1 HIS 24 12.078 4.408 -1.808
199 HD2 HIS 24 HD2 HIS 24 14.092 5.294 1.733
200 HE1 HIS 24 HE1 HIS 24 12.963 6.768 -2.059
201 H GLN 25 H GLN 25 13.243 0.345 1.858
202 HA GLN 25 HA GLN 25 15.707 0.917 3.261
203 HB2 GLN 25 HB2 GLN 25 13.505 -1.126 3.351
204 HB3 GLN 25 HB3 GLN 25 14.965 -1.410 4.300
205 HG2 GLN 25 HG2 GLN 25 14.654 0.550 5.585
206 HG3 GLN 25 HG3 GLN 25 13.512 1.234 4.425
207 HE21 GLN 25 HE21 GLN 25 11.403 -0.135 4.163
208 HE22 GLN 25 HE22 GLN 25 10.777 -0.844 5.574
209 H TRP 26 H TRP 26 14.722 -1.603 0.937
210 HA TRP 26 HA TRP 26 17.054 -3.256 1.102
211 HB2 TRP 26 HB2 TRP 26 14.767 -2.770 -0.719
212 HB3 TRP 26 HB3 TRP 26 16.185 -3.478 -1.491
213 HD1 TRP 26 HD1 TRP 26 13.184 -4.463 0.307
214 HE1 TRP 26 HE1 TRP 26 13.377 -6.869 1.216
215 HE3 TRP 26 HE3 TRP 26 18.207 -5.213 -0.236
216 HZ2 TRP 26 HZ2 TRP 26 15.395 -8.848 1.655
217 HZ3 TRP 26 HZ3 TRP 26 19.236 -7.365 0.435
218 HH2 TRP 26 HH2 TRP 26 17.838 -9.182 1.380
219 H ILE 27 H ILE 27 16.397 -0.256 -0.661
220 HA ILE 27 HA ILE 27 18.834 -0.372 -2.282
221 HB ILE 27 HB ILE 27 16.795 1.785 -1.631
222 HG12 ILE 27 HG12 ILE 27 17.157 0.440 -4.294
223 HG13 ILE 27 HG13 ILE 27 16.281 -0.406 -3.017
224 HG21 ILE 27 HG21 ILE 27 17.845 2.699 -3.887
225 HG22 ILE 27 HG22 ILE 27 19.262 1.805 -3.338
226 HG23 ILE 27 HG23 ILE 27 18.585 3.088 -2.334
227 HD11 ILE 27 HD11 ILE 27 14.540 0.753 -4.022
228 HD12 ILE 27 HD12 ILE 27 15.563 2.124 -4.452
229 HD13 ILE 27 HD13 ILE 27 15.025 1.913 -2.786
230 H SER 28 H SER 28 17.865 1.051 0.817
231 HA SER 28 HA SER 28 20.182 2.772 1.128
232 HB2 SER 28 HB2 SER 28 18.093 1.607 2.985
233 HB3 SER 28 HB3 SER 28 19.339 2.718 3.547
234 HG SER 28 HG SER 28 17.227 3.145 1.727
Start of MODEL 6
1 H1 SER 1 H1 SER 1 -22.265 -6.198 -3.942
2 H2 SER 1 H2 SER 1 -22.958 -6.698 -2.474
3 H3 SER 1 H3 SER 1 -21.348 -7.102 -2.837
4 HA SER 1 HA SER 1 -22.465 -4.470 -2.068
5 HB2 SER 1 HB2 SER 1 -20.319 -4.740 -0.612
6 HB3 SER 1 HB3 SER 1 -21.709 -5.752 -0.235
7 HG SER 1 HG SER 1 -20.021 -7.137 -0.361
8 H ASP 2 H ASP 2 -21.733 -2.723 -3.199
9 HA ASP 2 HA ASP 2 -19.298 -3.035 -4.915
10 HB2 ASP 2 HB2 ASP 2 -21.640 -1.100 -4.966
11 HB3 ASP 2 HB3 ASP 2 -20.317 -1.108 -6.133
12 H ALA 3 H ALA 3 -20.850 -0.778 -2.602
13 HA ALA 3 HA ALA 3 -18.760 1.188 -2.577
14 HB1 ALA 3 HB1 ALA 3 -19.864 1.728 -0.332
15 HB2 ALA 3 HB2 ALA 3 -20.903 0.332 -0.617
16 HB3 ALA 3 HB3 ALA 3 -20.942 1.701 -1.728
17 H ALA 4 H ALA 4 -19.292 -1.747 -0.617
18 HA ALA 4 HA ALA 4 -17.262 -1.416 1.332
19 HB1 ALA 4 HB1 ALA 4 -18.319 -3.883 -0.089
20 HB2 ALA 4 HB2 ALA 4 -18.965 -3.168 1.389
21 HB3 ALA 4 HB3 ALA 4 -17.371 -3.925 1.398
22 H ALA 5 H ALA 5 -17.041 -2.731 -1.988
23 HA ALA 5 HA ALA 5 -14.333 -3.623 -1.903
24 HB1 ALA 5 HB1 ALA 5 -14.516 -3.494 -4.348
25 HB2 ALA 5 HB2 ALA 5 -15.892 -2.398 -4.207
26 HB3 ALA 5 HB3 ALA 5 -16.043 -4.075 -3.680
27 H ARG 6 H ARG 6 -15.712 -0.395 -2.560
28 HA ARG 6 HA ARG 6 -13.281 0.895 -3.353
29 HB2 ARG 6 HB2 ARG 6 -15.794 1.870 -1.967
30 HB3 ARG 6 HB3 ARG 6 -14.552 2.954 -2.589
31 HG2 ARG 6 HG2 ARG 6 -14.973 2.358 -4.826
32 HG3 ARG 6 HG3 ARG 6 -15.797 0.866 -4.371
33 HD2 ARG 6 HD2 ARG 6 -17.797 1.925 -4.062
34 HD3 ARG 6 HD3 ARG 6 -17.037 3.332 -3.293
35 HE ARG 6 HE ARG 6 -16.291 3.989 -5.643
36 HH11 ARG 6 HH21 ARG 6 -17.183 1.621 -7.150
37 HH12 ARG 6 HH22 ARG 6 -18.739 2.096 -7.744
38 HH21 ARG 6 HH11 ARG 6 -19.080 4.730 -5.501
39 HH22 ARG 6 HH12 ARG 6 -19.819 3.861 -6.804
40 H VAL 7 H VAL 7 -14.732 0.277 -0.206
41 HA VAL 7 HA VAL 7 -12.906 1.789 1.412
42 HB VAL 7 HB VAL 7 -14.437 -0.782 1.982
43 HG11 VAL 7 HG11 VAL 7 -13.127 1.268 3.783
44 HG12 VAL 7 HG12 VAL 7 -12.829 -0.469 3.728
45 HG13 VAL 7 HG13 VAL 7 -14.358 0.143 4.358
46 HG21 VAL 7 HG21 VAL 7 -16.144 0.692 1.463
47 HG22 VAL 7 HG22 VAL 7 -15.187 2.112 1.884
48 HG23 VAL 7 HG23 VAL 7 -15.906 1.122 3.156
49 H THR 8 H THR 8 -12.847 -1.556 0.159
50 HA THR 8 HA THR 8 -10.422 -2.379 1.470
51 HB THR 8 HB THR 8 -11.510 -3.324 -1.193
52 HG1 THR 8 HG1 THR 8 -12.348 -3.998 1.435
53 HG21 THR 8 HG21 THR 8 -10.647 -5.508 -0.406
54 HG22 THR 8 HG22 THR 8 -10.051 -4.731 1.062
55 HG23 THR 8 HG23 THR 8 -9.367 -4.299 -0.506
56 H ALA 9 H ALA 9 -11.090 -0.780 -1.607
57 HA ALA 9 HA ALA 9 -8.438 -0.921 -2.702
58 HB1 ALA 9 HB1 ALA 9 -10.329 -0.423 -4.102
59 HB2 ALA 9 HB2 ALA 9 -9.334 1.034 -4.077
60 HB3 ALA 9 HB3 ALA 9 -10.791 0.942 -3.086
61 H ILE 10 H ILE 10 -10.053 1.494 -0.680
62 HA ILE 10 HA ILE 10 -7.982 3.470 -0.655
63 HB ILE 10 HB ILE 10 -10.083 2.631 1.375
64 HG12 ILE 10 HG12 ILE 10 -10.900 3.473 -0.827
65 HG13 ILE 10 HG13 ILE 10 -11.322 4.555 0.497
66 HG21 ILE 10 HG21 ILE 10 -8.523 3.831 2.684
67 HG22 ILE 10 HG22 ILE 10 -9.694 5.058 2.198
68 HG23 ILE 10 HG23 ILE 10 -8.142 4.942 1.368
69 HD11 ILE 10 HD11 ILE 10 -8.716 5.230 -0.596
70 HD12 ILE 10 HD12 ILE 10 -10.146 6.246 -0.415
71 HD13 ILE 10 HD13 ILE 10 -9.953 5.244 -1.853
72 H LEU 11 H LEU 11 -8.539 0.568 1.333
73 HA LEU 11 HA LEU 11 -6.338 0.930 3.143
74 HB2 LEU 11 HB2 LEU 11 -7.989 -1.398 2.164
75 HB3 LEU 11 HB3 LEU 11 -6.683 -1.635 3.325
76 HG LEU 11 HG LEU 11 -8.648 0.544 3.884
77 HD11 LEU 11 HD11 LEU 11 -10.299 -0.935 4.767
78 HD12 LEU 11 HD12 LEU 11 -9.251 -2.340 4.570
79 HD13 LEU 11 HD13 LEU 11 -9.937 -1.544 3.152
80 HD21 LEU 11 HD21 LEU 11 -8.192 -0.152 6.192
81 HD22 LEU 11 HD22 LEU 11 -6.673 0.089 5.330
82 HD23 LEU 11 HD23 LEU 11 -7.278 -1.544 5.612
83 H SER 12 H SER 12 -6.669 -0.689 0.017
84 HA SER 12 HA SER 12 -4.103 -1.917 -0.150
85 HB2 SER 12 HB2 SER 12 -6.252 -1.000 -1.995
86 HB3 SER 12 HB3 SER 12 -4.673 -1.282 -2.725
87 HG SER 12 HG SER 12 -4.711 -3.372 -1.862
88 H SER 13 H SER 13 -5.139 1.427 -0.757
89 HA SER 13 HA SER 13 -2.760 2.383 -2.048
90 HB2 SER 13 HB2 SER 13 -4.607 3.867 -0.150
91 HB3 SER 13 HB3 SER 13 -3.645 4.563 -1.448
92 HG SER 13 HG SER 13 -5.023 3.787 -2.902
93 H LEU 14 H LEU 14 -3.686 2.105 1.385
94 HA LEU 14 HA LEU 14 -1.359 3.402 2.488
95 HB2 LEU 14 HB2 LEU 14 -3.551 1.574 3.419
96 HB3 LEU 14 HB3 LEU 14 -2.169 1.831 4.484
97 HG LEU 14 HG LEU 14 -2.653 4.392 3.799
98 HD11 LEU 14 HD11 LEU 14 -4.551 4.030 2.391
99 HD12 LEU 14 HD12 LEU 14 -5.196 4.635 3.917
100 HD13 LEU 14 HD13 LEU 14 -5.281 2.914 3.545
101 HD21 LEU 14 HD21 LEU 14 -4.029 4.512 5.912
102 HD22 LEU 14 HD22 LEU 14 -2.517 3.621 6.091
103 HD23 LEU 14 HD23 LEU 14 -4.041 2.748 5.936
104 H THR 15 H THR 15 -2.130 -0.053 1.873
105 HA THR 15 HA THR 15 0.355 -1.080 2.921
106 HB THR 15 HB THR 15 -0.354 -3.089 1.480
107 HG1 THR 15 HG1 THR 15 -1.588 -2.329 -0.085
108 HG21 THR 15 HG21 THR 15 -1.021 -2.614 3.894
109 HG22 THR 15 HG22 THR 15 -2.098 -3.680 2.993
110 HG23 THR 15 HG23 THR 15 -2.541 -1.992 3.252
111 H VAL 16 H VAL 16 -0.671 -0.097 -0.361
112 HA VAL 16 HA VAL 16 1.651 -0.931 -1.796
113 HB VAL 16 HB VAL 16 -0.380 1.295 -2.119
114 HG11 VAL 16 HG11 VAL 16 2.020 0.641 -3.829
115 HG12 VAL 16 HG12 VAL 16 1.448 2.221 -3.291
116 HG13 VAL 16 HG13 VAL 16 0.566 1.343 -4.540
117 HG21 VAL 16 HG21 VAL 16 0.011 -0.960 -4.042
118 HG22 VAL 16 HG22 VAL 16 -1.480 -0.176 -3.521
119 HG23 VAL 16 HG23 VAL 16 -0.686 -1.348 -2.469
120 H THR 17 H THR 17 0.960 2.100 -0.022
121 HA THR 17 HA THR 17 3.353 3.523 -0.667
122 HB THR 17 HB THR 17 1.723 3.526 1.904
123 HG1 THR 17 HG1 THR 17 0.227 4.103 0.542
124 HG21 THR 17 HG21 THR 17 3.376 5.707 0.598
125 HG22 THR 17 HG22 THR 17 3.872 4.771 2.008
126 HG23 THR 17 HG23 THR 17 2.477 5.845 2.108
127 H GLN 18 H GLN 18 2.607 1.354 2.089
128 HA GLN 18 HA GLN 18 5.209 1.463 3.298
129 HB2 GLN 18 HB2 GLN 18 2.688 -0.029 3.522
130 HB3 GLN 18 HB3 GLN 18 4.097 -1.003 3.939
131 HG2 GLN 18 HG2 GLN 18 3.687 -0.022 5.992
132 HG3 GLN 18 HG3 GLN 18 4.772 1.184 5.300
133 HE21 GLN 18 HE21 GLN 18 3.680 3.108 4.224
134 HE22 GLN 18 HE22 GLN 18 2.159 3.600 4.796
135 H LEU 19 H LEU 19 3.774 -0.673 0.882
136 HA LEU 19 HA LEU 19 5.861 -2.599 0.653
137 HB2 LEU 19 HB2 LEU 19 3.433 -2.226 -0.457
138 HB3 LEU 19 HB3 LEU 19 4.429 -1.633 -1.788
139 HG LEU 19 HG LEU 19 5.138 -4.237 -0.467
140 HD11 LEU 19 HD11 LEU 19 2.662 -4.217 -1.078
141 HD12 LEU 19 HD12 LEU 19 3.630 -5.463 -1.865
142 HD13 LEU 19 HD13 LEU 19 3.168 -4.012 -2.755
143 HD21 LEU 19 HD21 LEU 19 5.790 -4.679 -2.914
144 HD22 LEU 19 HD22 LEU 19 6.733 -3.457 -2.060
145 HD23 LEU 19 HD23 LEU 19 5.474 -2.967 -3.193
146 H LEU 20 H LEU 20 5.438 0.599 -0.867
147 HA LEU 20 HA LEU 20 7.743 0.505 -2.589
148 HB2 LEU 20 HB2 LEU 20 6.078 2.680 -1.301
149 HB3 LEU 20 HB3 LEU 20 7.435 3.069 -2.357
150 HG LEU 20 HG LEU 20 5.389 1.088 -3.300
151 HD11 LEU 20 HD11 LEU 20 5.027 4.033 -3.802
152 HD12 LEU 20 HD12 LEU 20 4.328 3.291 -2.362
153 HD13 LEU 20 HD13 LEU 20 3.852 2.726 -3.963
154 HD21 LEU 20 HD21 LEU 20 6.042 1.992 -5.479
155 HD22 LEU 20 HD22 LEU 20 7.489 1.552 -4.571
156 HD23 LEU 20 HD23 LEU 20 7.007 3.244 -4.698
157 H ARG 21 H ARG 21 7.264 1.643 0.773
158 HA ARG 21 HA ARG 21 9.854 2.744 1.225
159 HB2 ARG 21 HB2 ARG 21 7.723 2.822 2.646
160 HB3 ARG 21 HB3 ARG 21 8.158 1.211 3.217
161 HG2 ARG 21 HG2 ARG 21 10.245 2.025 4.128
162 HG3 ARG 21 HG3 ARG 21 9.999 3.611 3.398
163 HD2 ARG 21 HD2 ARG 21 7.869 3.801 4.788
164 HD3 ARG 21 HD3 ARG 21 8.416 2.356 5.661
165 HE ARG 21 HE ARG 21 10.510 3.633 6.216
166 HH11 ARG 21 HH21 ARG 21 7.917 4.945 7.332
167 HH12 ARG 21 HH22 ARG 21 8.277 6.616 7.053
168 HH21 ARG 21 HH11 ARG 21 10.910 5.955 4.881
169 HH22 ARG 21 HH12 ARG 21 9.979 7.190 5.660
170 H ARG 22 H ARG 22 8.647 -0.600 1.637
171 HA ARG 22 HA ARG 22 11.099 -1.719 2.657
172 HB2 ARG 22 HB2 ARG 22 8.450 -2.533 1.927
173 HB3 ARG 22 HB3 ARG 22 9.588 -3.624 1.134
174 HG2 ARG 22 HG2 ARG 22 10.510 -4.352 3.158
175 HG3 ARG 22 HG3 ARG 22 9.975 -2.916 4.031
176 HD2 ARG 22 HD2 ARG 22 7.631 -4.186 3.010
177 HD3 ARG 22 HD3 ARG 22 8.619 -5.436 3.790
178 HE ARG 22 HE ARG 22 8.601 -4.101 5.845
179 HH11 ARG 22 HH21 ARG 22 8.183 -1.432 4.388
180 HH12 ARG 22 HH22 ARG 22 6.566 -1.044 4.872
181 HH21 ARG 22 HH11 ARG 22 5.840 -4.256 5.979
182 HH22 ARG 22 HH12 ARG 22 5.237 -2.646 5.774
183 H LEU 23 H LEU 23 9.782 -1.371 -0.645
184 HA LEU 23 HA LEU 23 11.781 -2.829 -2.066
185 HB2 LEU 23 HB2 LEU 23 9.492 -1.674 -2.729
186 HB3 LEU 23 HB3 LEU 23 10.531 -0.306 -3.129
187 HG LEU 23 HG LEU 23 11.935 -1.946 -4.496
188 HD11 LEU 23 HD11 LEU 23 11.243 -4.065 -3.687
189 HD12 LEU 23 HD12 LEU 23 10.492 -3.940 -5.279
190 HD13 LEU 23 HD13 LEU 23 9.534 -3.653 -3.826
191 HD21 LEU 23 HD21 LEU 23 9.065 -1.296 -5.213
192 HD22 LEU 23 HD22 LEU 23 10.204 -1.981 -6.371
193 HD23 LEU 23 HD23 LEU 23 10.517 -0.400 -5.658
194 H HIS 24 H HIS 24 11.673 0.569 -0.984
195 HA HIS 24 HA HIS 24 14.100 1.447 -2.255
196 HB2 HIS 24 HB2 HIS 24 12.049 2.459 -0.579
197 HB3 HIS 24 HB3 HIS 24 13.561 2.738 0.283
198 HD1 HIS 24 HD1 HIS 24 12.082 3.311 -3.187
199 HD2 HIS 24 HD2 HIS 24 14.991 4.912 -0.663
200 HE1 HIS 24 HE1 HIS 24 12.966 5.387 -4.337
201 H GLN 25 H GLN 25 13.411 0.003 0.933
202 HA GLN 25 HA GLN 25 16.043 0.219 2.049
203 HB2 GLN 25 HB2 GLN 25 14.011 -0.280 3.334
204 HB3 GLN 25 HB3 GLN 25 13.800 -1.792 2.453
205 HG2 GLN 25 HG2 GLN 25 16.384 -2.030 3.380
206 HG3 GLN 25 HG3 GLN 25 15.596 -1.168 4.702
207 HE21 GLN 25 HE21 GLN 25 14.644 -3.867 2.468
208 HE22 GLN 25 HE22 GLN 25 14.028 -4.852 3.706
209 H TRP 26 H TRP 26 14.529 -2.205 -0.073
210 HA TRP 26 HA TRP 26 16.582 -4.205 0.058
211 HB2 TRP 26 HB2 TRP 26 14.175 -3.580 -1.429
212 HB3 TRP 26 HB3 TRP 26 15.420 -4.179 -2.525
213 HD1 TRP 26 HD1 TRP 26 16.774 -6.460 -1.400
214 HE1 TRP 26 HE1 TRP 26 15.637 -8.547 -0.405
215 HE3 TRP 26 HE3 TRP 26 12.151 -4.545 -0.387
216 HZ2 TRP 26 HZ2 TRP 26 13.099 -9.305 0.677
217 HZ3 TRP 26 HZ3 TRP 26 10.395 -5.970 0.624
218 HH2 TRP 26 HH2 TRP 26 10.863 -8.346 1.156
219 H ILE 27 H ILE 27 16.356 -1.156 -1.692
220 HA ILE 27 HA ILE 27 18.575 -1.763 -3.521
221 HB ILE 27 HB ILE 27 17.101 0.801 -2.811
222 HG12 ILE 27 HG12 ILE 27 16.735 -0.735 -5.364
223 HG13 ILE 27 HG13 ILE 27 15.922 -1.313 -3.909
224 HG21 ILE 27 HG21 ILE 27 17.981 1.582 -5.020
225 HG22 ILE 27 HG22 ILE 27 18.959 0.118 -5.112
226 HG23 ILE 27 HG23 ILE 27 19.258 1.299 -3.836
227 HD11 ILE 27 HD11 ILE 27 15.541 1.269 -5.391
228 HD12 ILE 27 HD12 ILE 27 15.203 1.208 -3.662
229 HD13 ILE 27 HD13 ILE 27 14.326 0.152 -4.768
230 H SER 28 H SER 28 18.116 -0.056 -0.434
231 HA SER 28 HA SER 28 20.877 0.984 -0.427
232 HB2 SER 28 HB2 SER 28 20.103 1.760 1.880
233 HB3 SER 28 HB3 SER 28 19.147 2.353 0.527
234 HG SER 28 HG SER 28 18.529 0.034 2.057
Start of MODEL 7
1 H1 SER 1 H1 SER 1 -20.876 -0.064 -6.480
2 H2 SER 1 H2 SER 1 -19.750 -0.771 -5.422
3 H3 SER 1 H3 SER 1 -19.271 -0.289 -6.979
4 HA SER 1 HA SER 1 -18.462 1.363 -5.485
5 HB2 SER 1 HB2 SER 1 -21.006 2.133 -6.955
6 HB3 SER 1 HB3 SER 1 -19.817 3.292 -6.368
7 HG SER 1 HG SER 1 -19.323 2.816 -8.487
8 H ASP 2 H ASP 2 -18.771 0.844 -3.243
9 HA ASP 2 HA ASP 2 -21.001 2.305 -1.955
10 HB2 ASP 2 HB2 ASP 2 -21.520 0.196 -0.615
11 HB3 ASP 2 HB3 ASP 2 -21.984 0.135 -2.314
12 H ALA 3 H ALA 3 -20.685 1.773 0.608
13 HA ALA 3 HA ALA 3 -18.246 2.982 1.424
14 HB1 ALA 3 HB1 ALA 3 -19.010 2.201 3.689
15 HB2 ALA 3 HB2 ALA 3 -20.248 1.233 2.887
16 HB3 ALA 3 HB3 ALA 3 -20.281 2.993 2.757
17 H ALA 4 H ALA 4 -19.192 -0.482 1.495
18 HA ALA 4 HA ALA 4 -16.806 -1.503 2.679
19 HB1 ALA 4 HB1 ALA 4 -19.107 -2.586 2.150
20 HB2 ALA 4 HB2 ALA 4 -17.673 -3.601 1.999
21 HB3 ALA 4 HB3 ALA 4 -18.425 -2.919 0.558
22 H ALA 5 H ALA 5 -17.624 -0.891 -0.753
23 HA ALA 5 HA ALA 5 -15.238 -2.009 -1.892
24 HB1 ALA 5 HB1 ALA 5 -16.706 0.385 -2.995
25 HB2 ALA 5 HB2 ALA 5 -17.500 -1.189 -2.928
26 HB3 ALA 5 HB3 ALA 5 -16.023 -0.985 -3.869
27 H ARG 6 H ARG 6 -15.997 1.248 -0.646
28 HA ARG 6 HA ARG 6 -13.555 2.524 -1.439
29 HB2 ARG 6 HB2 ARG 6 -15.357 3.903 -0.762
30 HB3 ARG 6 HB3 ARG 6 -15.661 2.940 0.679
31 HG2 ARG 6 HG2 ARG 6 -12.980 4.210 0.518
32 HG3 ARG 6 HG3 ARG 6 -14.341 5.310 0.730
33 HD2 ARG 6 HD2 ARG 6 -13.788 2.887 2.488
34 HD3 ARG 6 HD3 ARG 6 -13.438 4.568 2.928
35 HE ARG 6 HE ARG 6 -16.178 3.460 2.480
36 HH11 ARG 6 HH21 ARG 6 -15.805 6.409 1.844
37 HH12 ARG 6 HH22 ARG 6 -16.241 7.140 3.351
38 HH21 ARG 6 HH11 ARG 6 -15.974 4.186 5.163
39 HH22 ARG 6 HH12 ARG 6 -16.333 5.879 5.240
40 H VAL 7 H VAL 7 -14.450 0.584 1.358
41 HA VAL 7 HA VAL 7 -12.072 0.983 2.928
42 HB VAL 7 HB VAL 7 -13.984 -1.376 2.703
43 HG11 VAL 7 HG11 VAL 7 -11.857 -0.639 4.717
44 HG12 VAL 7 HG12 VAL 7 -12.094 -2.177 3.886
45 HG13 VAL 7 HG13 VAL 7 -13.216 -1.676 5.150
46 HG21 VAL 7 HG21 VAL 7 -15.455 -0.195 3.960
47 HG22 VAL 7 HG22 VAL 7 -14.517 1.229 3.507
48 HG23 VAL 7 HG23 VAL 7 -14.185 0.401 5.028
49 H THR 8 H THR 8 -12.957 -1.341 0.366
50 HA THR 8 HA THR 8 -10.544 -2.909 0.481
51 HB THR 8 HB THR 8 -12.408 -2.364 -1.850
52 HG1 THR 8 HG1 THR 8 -13.830 -3.441 -0.768
53 HG21 THR 8 HG21 THR 8 -10.711 -4.784 -1.178
54 HG22 THR 8 HG22 THR 8 -10.308 -3.577 -2.399
55 HG23 THR 8 HG23 THR 8 -11.737 -4.593 -2.601
56 H ALA 9 H ALA 9 -11.480 -0.000 -1.291
57 HA ALA 9 HA ALA 9 -9.187 0.167 -3.011
58 HB1 ALA 9 HB1 ALA 9 -10.021 2.367 -3.464
59 HB2 ALA 9 HB2 ALA 9 -10.785 2.471 -1.878
60 HB3 ALA 9 HB3 ALA 9 -11.445 1.390 -3.107
61 H ILE 10 H ILE 10 -9.844 1.460 0.213
62 HA ILE 10 HA ILE 10 -7.461 3.002 0.561
63 HB ILE 10 HB ILE 10 -9.275 1.468 2.456
64 HG12 ILE 10 HG12 ILE 10 -9.016 4.459 2.125
65 HG13 ILE 10 HG13 ILE 10 -10.050 3.514 1.053
66 HG21 ILE 10 HG21 ILE 10 -7.224 1.695 3.663
67 HG22 ILE 10 HG22 ILE 10 -8.246 3.024 4.209
68 HG23 ILE 10 HG23 ILE 10 -6.956 3.325 3.043
69 HD11 ILE 10 HD11 ILE 10 -10.281 3.858 4.044
70 HD12 ILE 10 HD12 ILE 10 -11.084 2.536 3.198
71 HD13 ILE 10 HD13 ILE 10 -11.487 4.207 2.808
72 H LEU 11 H LEU 11 -8.173 -0.442 1.127
73 HA LEU 11 HA LEU 11 -5.641 -1.179 2.251
74 HB2 LEU 11 HB2 LEU 11 -8.017 -2.366 1.974
75 HB3 LEU 11 HB3 LEU 11 -7.238 -3.047 0.547
76 HG LEU 11 HG LEU 11 -5.853 -3.103 3.224
77 HD11 LEU 11 HD11 LEU 11 -8.151 -4.129 3.417
78 HD12 LEU 11 HD12 LEU 11 -6.829 -5.263 3.692
79 HD13 LEU 11 HD13 LEU 11 -7.685 -5.266 2.150
80 HD21 LEU 11 HD21 LEU 11 -4.318 -3.831 1.669
81 HD22 LEU 11 HD22 LEU 11 -5.562 -4.358 0.534
82 HD23 LEU 11 HD23 LEU 11 -5.157 -5.361 1.928
83 H SER 12 H SER 12 -6.840 -1.061 -1.083
84 HA SER 12 HA SER 12 -4.592 -2.271 -2.383
85 HB2 SER 12 HB2 SER 12 -6.942 -1.623 -3.251
86 HB3 SER 12 HB3 SER 12 -6.270 -0.012 -3.492
87 HG SER 12 HG SER 12 -6.115 -1.449 -5.337
88 H SER 13 H SER 13 -5.267 1.143 -1.548
89 HA SER 13 HA SER 13 -2.870 2.238 -2.728
90 HB2 SER 13 HB2 SER 13 -5.051 3.384 -1.988
91 HB3 SER 13 HB3 SER 13 -4.418 3.300 -0.347
92 HG SER 13 HG SER 13 -3.284 4.610 -2.601
93 H LEU 14 H LEU 14 -3.639 0.929 0.489
94 HA LEU 14 HA LEU 14 -1.230 1.734 1.833
95 HB2 LEU 14 HB2 LEU 14 -3.601 0.150 2.285
96 HB3 LEU 14 HB3 LEU 14 -2.193 -0.726 2.883
97 HG LEU 14 HG LEU 14 -1.819 1.967 3.660
98 HD11 LEU 14 HD11 LEU 14 -4.112 2.534 3.380
99 HD12 LEU 14 HD12 LEU 14 -3.939 2.178 5.099
100 HD13 LEU 14 HD13 LEU 14 -4.654 0.982 4.019
101 HD21 LEU 14 HD21 LEU 14 -1.871 1.032 5.883
102 HD22 LEU 14 HD22 LEU 14 -1.180 -0.195 4.821
103 HD23 LEU 14 HD23 LEU 14 -2.859 -0.328 5.348
104 H THR 15 H THR 15 -2.073 -1.242 0.018
105 HA THR 15 HA THR 15 0.357 -2.668 0.570
106 HB THR 15 HB THR 15 -2.035 -3.190 -0.637
107 HG1 THR 15 HG1 THR 15 -1.253 -5.126 -0.493
108 HG21 THR 15 HG21 THR 15 0.020 -3.115 -2.868
109 HG22 THR 15 HG22 THR 15 -1.391 -2.066 -2.738
110 HG23 THR 15 HG23 THR 15 -1.601 -3.798 -2.986
111 H VAL 16 H VAL 16 -0.503 -0.343 -1.998
112 HA VAL 16 HA VAL 16 1.948 -0.626 -3.510
113 HB VAL 16 HB VAL 16 -0.133 1.575 -3.241
114 HG11 VAL 16 HG11 VAL 16 2.155 1.252 -5.205
115 HG12 VAL 16 HG12 VAL 16 1.873 2.604 -4.108
116 HG13 VAL 16 HG13 VAL 16 0.788 2.334 -5.472
117 HG21 VAL 16 HG21 VAL 16 -0.223 0.362 -5.773
118 HG22 VAL 16 HG22 VAL 16 -1.364 0.118 -4.450
119 HG23 VAL 16 HG23 VAL 16 0.008 -0.973 -4.642
120 H THR 17 H THR 17 0.891 1.605 -0.917
121 HA THR 17 HA THR 17 3.257 3.238 -0.855
122 HB THR 17 HB THR 17 1.291 2.495 1.343
123 HG1 THR 17 HG1 THR 17 -0.019 3.510 0.060
124 HG21 THR 17 HG21 THR 17 3.179 4.842 1.008
125 HG22 THR 17 HG22 THR 17 3.238 3.608 2.267
126 HG23 THR 17 HG23 THR 17 1.905 4.762 2.224
127 H GLN 18 H GLN 18 2.349 0.263 0.911
128 HA GLN 18 HA GLN 18 4.668 0.136 2.590
129 HB2 GLN 18 HB2 GLN 18 2.492 -1.669 1.649
130 HB3 GLN 18 HB3 GLN 18 3.909 -2.436 2.365
131 HG2 GLN 18 HG2 GLN 18 3.669 -0.916 4.344
132 HG3 GLN 18 HG3 GLN 18 2.174 -0.299 3.640
133 HE21 GLN 18 HE21 GLN 18 3.593 -2.985 5.386
134 HE22 GLN 18 HE22 GLN 18 2.166 -3.892 5.535
135 H LEU 19 H LEU 19 4.000 -1.210 -0.611
136 HA LEU 19 HA LEU 19 6.382 -2.741 -0.956
137 HB2 LEU 19 HB2 LEU 19 4.220 -2.516 -2.387
138 HB3 LEU 19 HB3 LEU 19 5.031 -1.141 -3.138
139 HG LEU 19 HG LEU 19 7.019 -2.743 -3.503
140 HD11 LEU 19 HD11 LEU 19 6.230 -5.154 -3.716
141 HD12 LEU 19 HD12 LEU 19 4.800 -4.680 -2.798
142 HD13 LEU 19 HD13 LEU 19 6.400 -4.561 -2.064
143 HD21 LEU 19 HD21 LEU 19 4.383 -3.190 -4.940
144 HD22 LEU 19 HD22 LEU 19 5.959 -3.683 -5.556
145 HD23 LEU 19 HD23 LEU 19 5.593 -1.971 -5.339
146 H LEU 20 H LEU 20 5.698 0.704 -1.563
147 HA LEU 20 HA LEU 20 8.260 1.385 -2.687
148 HB2 LEU 20 HB2 LEU 20 5.888 2.596 -2.502
149 HB3 LEU 20 HB3 LEU 20 6.626 3.310 -1.067
150 HG LEU 20 HG LEU 20 8.618 3.903 -2.556
151 HD11 LEU 20 HD11 LEU 20 8.107 4.046 -4.982
152 HD12 LEU 20 HD12 LEU 20 6.573 3.225 -4.695
153 HD13 LEU 20 HD13 LEU 20 8.095 2.378 -4.410
154 HD21 LEU 20 HD21 LEU 20 6.686 5.539 -3.839
155 HD22 LEU 20 HD22 LEU 20 7.616 5.915 -2.389
156 HD23 LEU 20 HD23 LEU 20 6.035 5.148 -2.247
157 H ARG 21 H ARG 21 6.980 1.400 0.655
158 HA ARG 21 HA ARG 21 9.293 2.590 1.900
159 HB2 ARG 21 HB2 ARG 21 6.877 1.013 2.680
160 HB3 ARG 21 HB3 ARG 21 8.193 1.086 3.853
161 HG2 ARG 21 HG2 ARG 21 7.424 3.654 2.558
162 HG3 ARG 21 HG3 ARG 21 6.272 2.976 3.709
163 HD2 ARG 21 HD2 ARG 21 7.925 2.945 5.471
164 HD3 ARG 21 HD3 ARG 21 9.221 3.363 4.333
165 HE ARG 21 HE ARG 21 6.958 5.200 5.039
166 HH11 ARG 21 HH11 ARG 21 9.548 5.876 6.231
167 HH12 ARG 21 HH12 ARG 21 10.260 6.947 5.071
168 HH21 ARG 21 HH21 ARG 21 8.114 6.009 2.502
169 HH22 ARG 21 HH22 ARG 21 9.443 7.021 2.950
170 H ARG 22 H ARG 22 8.382 -0.765 1.143
171 HA ARG 22 HA ARG 22 10.512 -2.106 2.508
172 HB2 ARG 22 HB2 ARG 22 8.637 -2.652 0.228
173 HB3 ARG 22 HB3 ARG 22 9.956 -3.784 0.521
174 HG2 ARG 22 HG2 ARG 22 8.112 -2.877 2.737
175 HG3 ARG 22 HG3 ARG 22 7.736 -4.269 1.720
176 HD2 ARG 22 HD2 ARG 22 9.822 -5.371 2.384
177 HD3 ARG 22 HD3 ARG 22 10.289 -3.952 3.341
178 HE ARG 22 HE ARG 22 8.593 -4.500 4.937
179 HH11 ARG 22 HH11 ARG 22 9.492 -7.321 4.241
180 HH12 ARG 22 HH12 ARG 22 7.972 -8.111 3.982
181 HH21 ARG 22 HH21 ARG 22 6.186 -5.144 3.683
182 HH22 ARG 22 HH22 ARG 22 6.094 -6.873 3.662
183 H LEU 23 H LEU 23 10.251 -0.958 -0.881
184 HA LEU 23 HA LEU 23 12.828 -1.844 -1.743
185 HB2 LEU 23 HB2 LEU 23 12.167 -0.848 -3.700
186 HB3 LEU 23 HB3 LEU 23 10.616 -0.730 -2.878
187 HG LEU 23 HG LEU 23 11.670 1.556 -1.986
188 HD11 LEU 23 HD11 LEU 23 13.695 0.704 -3.681
189 HD12 LEU 23 HD12 LEU 23 13.453 2.361 -3.129
190 HD13 LEU 23 HD13 LEU 23 12.791 1.843 -4.679
191 HD21 LEU 23 HD21 LEU 23 9.700 0.905 -3.701
192 HD22 LEU 23 HD22 LEU 23 10.802 1.693 -4.831
193 HD23 LEU 23 HD23 LEU 23 10.199 2.574 -3.427
194 H HIS 24 H HIS 24 11.802 1.113 -0.059
195 HA HIS 24 HA HIS 24 14.282 2.565 -0.307
196 HB2 HIS 24 HB2 HIS 24 11.818 3.176 0.503
197 HB3 HIS 24 HB3 HIS 24 12.481 2.776 2.088
198 HD1 HIS 24 HD1 HIS 24 15.249 3.924 2.030
199 HD2 HIS 24 HD2 HIS 24 12.014 5.919 0.314
200 HE1 HIS 24 HE1 HIS 24 15.897 6.368 1.909
201 H GLN 25 H GLN 25 13.027 0.256 2.107
202 HA GLN 25 HA GLN 25 15.228 0.466 3.959
203 HB2 GLN 25 HB2 GLN 25 12.762 -0.945 3.641
204 HB3 GLN 25 HB3 GLN 25 14.017 -2.143 3.958
205 HG2 GLN 25 HG2 GLN 25 13.583 0.355 5.622
206 HG3 GLN 25 HG3 GLN 25 12.973 -1.243 6.049
207 HE21 GLN 25 HE21 GLN 25 14.539 -2.877 6.723
208 HE22 GLN 25 HE22 GLN 25 16.139 -2.464 7.109
209 H TRP 26 H TRP 26 14.653 -1.512 1.064
210 HA TRP 26 HA TRP 26 16.805 -3.377 1.371
211 HB2 TRP 26 HB2 TRP 26 15.003 -2.347 -0.742
212 HB3 TRP 26 HB3 TRP 26 16.527 -3.001 -1.338
213 HD1 TRP 26 HD1 TRP 26 13.266 -4.002 0.295
214 HE1 TRP 26 HE1 TRP 26 13.126 -6.575 0.410
215 HE3 TRP 26 HE3 TRP 26 18.021 -5.210 -1.124
216 HZ2 TRP 26 HZ2 TRP 26 14.809 -8.843 -0.040
217 HZ3 TRP 26 HZ3 TRP 26 18.724 -7.582 -1.272
218 HH2 TRP 26 HH2 TRP 26 17.126 -9.398 -0.732
219 H ILE 27 H ILE 27 16.667 -0.110 -0.046
220 HA ILE 27 HA ILE 27 19.510 -0.159 -0.828
221 HB ILE 27 HB ILE 27 17.224 1.826 -0.913
222 HG12 ILE 27 HG12 ILE 27 18.523 1.416 -3.409
223 HG13 ILE 27 HG13 ILE 27 18.329 -0.172 -2.669
224 HG21 ILE 27 HG21 ILE 27 20.137 2.278 -1.622
225 HG22 ILE 27 HG22 ILE 27 19.157 3.201 -0.482
226 HG23 ILE 27 HG23 ILE 27 18.826 3.300 -2.210
227 HD11 ILE 27 HD11 ILE 27 16.376 1.078 -4.091
228 HD12 ILE 27 HD12 ILE 27 15.979 1.616 -2.458
229 HD13 ILE 27 HD13 ILE 27 16.056 -0.108 -2.825
230 H SER 28 H SER 28 17.479 1.555 1.585
231 HA SER 28 HA SER 28 18.048 2.656 3.586
232 HB2 SER 28 HB2 SER 28 20.096 0.479 3.232
233 HB3 SER 28 HB3 SER 28 20.230 1.579 4.599
234 HG SER 28 HG SER 28 18.041 -0.093 3.901
Start of MODEL 8
1 H1 SER 1 H1 SER 1 -18.740 6.809 -3.399
2 H2 SER 1 H2 SER 1 -19.697 7.338 -4.698
3 H3 SER 1 H3 SER 1 -18.671 5.997 -4.885
4 HA SER 1 HA SER 1 -21.001 6.085 -3.030
5 HB2 SER 1 HB2 SER 1 -21.041 6.103 -5.768
6 HB3 SER 1 HB3 SER 1 -20.964 4.372 -5.449
7 HG SER 1 HG SER 1 -23.100 5.717 -5.432
8 H ASP 2 H ASP 2 -21.629 3.637 -2.709
9 HA ASP 2 HA ASP 2 -21.045 1.565 -1.755
10 HB2 ASP 2 HB2 ASP 2 -19.542 2.001 -4.206
11 HB3 ASP 2 HB3 ASP 2 -18.647 0.962 -3.099
12 H ALA 3 H ALA 3 -20.540 2.679 0.303
13 HA ALA 3 HA ALA 3 -17.975 3.679 1.048
14 HB1 ALA 3 HB1 ALA 3 -19.990 2.232 2.794
15 HB2 ALA 3 HB2 ALA 3 -20.205 3.893 2.238
16 HB3 ALA 3 HB3 ALA 3 -18.852 3.485 3.293
17 H ALA 4 H ALA 4 -19.312 0.368 1.158
18 HA ALA 4 HA ALA 4 -17.162 -0.883 2.581
19 HB1 ALA 4 HB1 ALA 4 -18.845 -2.102 0.376
20 HB2 ALA 4 HB2 ALA 4 -19.499 -1.749 1.976
21 HB3 ALA 4 HB3 ALA 4 -18.183 -2.908 1.798
22 H ALA 5 H ALA 5 -17.694 -0.353 -0.921
23 HA ALA 5 HA ALA 5 -15.343 -1.723 -1.840
24 HB1 ALA 5 HB1 ALA 5 -16.590 0.708 -3.136
25 HB2 ALA 5 HB2 ALA 5 -17.443 -0.836 -3.090
26 HB3 ALA 5 HB3 ALA 5 -15.891 -0.709 -3.919
27 H ARG 6 H ARG 6 -15.906 1.634 -0.773
28 HA ARG 6 HA ARG 6 -13.352 2.702 -1.505
29 HB2 ARG 6 HB2 ARG 6 -15.622 3.359 0.286
30 HB3 ARG 6 HB3 ARG 6 -14.083 4.092 0.734
31 HG2 ARG 6 HG2 ARG 6 -13.873 4.845 -1.691
32 HG3 ARG 6 HG3 ARG 6 -15.557 4.357 -1.894
33 HD2 ARG 6 HD2 ARG 6 -16.291 5.937 -0.201
34 HD3 ARG 6 HD3 ARG 6 -14.612 6.332 0.215
35 HE ARG 6 HE ARG 6 -15.931 7.015 -2.378
36 HH11 ARG 6 HH11 ARG 6 -15.011 9.110 -0.409
37 HH12 ARG 6 HH12 ARG 6 -13.493 9.593 -1.086
38 HH21 ARG 6 HH21 ARG 6 -13.237 6.812 -3.156
39 HH22 ARG 6 HH22 ARG 6 -12.485 8.288 -2.650
40 H VAL 7 H VAL 7 -14.471 0.929 1.321
41 HA VAL 7 HA VAL 7 -12.125 1.195 2.957
42 HB VAL 7 HB VAL 7 -14.194 -1.025 2.710
43 HG11 VAL 7 HG11 VAL 7 -12.239 -1.825 3.925
44 HG12 VAL 7 HG12 VAL 7 -13.542 -1.524 5.074
45 HG13 VAL 7 HG13 VAL 7 -12.220 -0.367 4.918
46 HG21 VAL 7 HG21 VAL 7 -14.537 1.629 3.472
47 HG22 VAL 7 HG22 VAL 7 -14.334 0.788 5.008
48 HG23 VAL 7 HG23 VAL 7 -15.608 0.293 3.894
49 H THR 8 H THR 8 -13.073 -1.121 0.414
50 HA THR 8 HA THR 8 -10.772 -2.840 0.643
51 HB THR 8 HB THR 8 -12.422 -2.264 -1.829
52 HG1 THR 8 HG1 THR 8 -13.042 -3.904 0.404
53 HG21 THR 8 HG21 THR 8 -12.093 -4.782 -2.084
54 HG22 THR 8 HG22 THR 8 -10.912 -4.664 -0.780
55 HG23 THR 8 HG23 THR 8 -10.648 -3.791 -2.290
56 H ALA 9 H ALA 9 -11.463 0.088 -1.203
57 HA ALA 9 HA ALA 9 -9.111 0.075 -2.854
58 HB1 ALA 9 HB1 ALA 9 -9.702 2.643 -2.803
59 HB2 ALA 9 HB2 ALA 9 -11.112 2.102 -1.893
60 HB3 ALA 9 HB3 ALA 9 -10.840 1.512 -3.532
61 H ILE 10 H ILE 10 -9.795 1.477 0.318
62 HA ILE 10 HA ILE 10 -7.351 2.878 0.751
63 HB ILE 10 HB ILE 10 -9.280 1.418 2.590
64 HG12 ILE 10 HG12 ILE 10 -8.886 4.396 2.260
65 HG13 ILE 10 HG13 ILE 10 -9.952 3.489 1.187
66 HG21 ILE 10 HG21 ILE 10 -6.890 3.155 3.239
67 HG22 ILE 10 HG22 ILE 10 -7.273 1.552 3.868
68 HG23 ILE 10 HG23 ILE 10 -8.230 2.947 4.367
69 HD11 ILE 10 HD11 ILE 10 -10.970 2.554 3.410
70 HD12 ILE 10 HD12 ILE 10 -11.422 4.172 2.877
71 HD13 ILE 10 HD13 ILE 10 -10.213 3.966 4.145
72 H LEU 11 H LEU 11 -8.224 -0.540 1.254
73 HA LEU 11 HA LEU 11 -5.788 -1.407 2.479
74 HB2 LEU 11 HB2 LEU 11 -7.958 -2.716 0.836
75 HB3 LEU 11 HB3 LEU 11 -6.607 -3.648 1.478
76 HG LEU 11 HG LEU 11 -8.221 -1.856 3.284
77 HD11 LEU 11 HD11 LEU 11 -9.463 -4.043 3.863
78 HD12 LEU 11 HD12 LEU 11 -8.894 -4.631 2.301
79 HD13 LEU 11 HD13 LEU 11 -9.941 -3.215 2.381
80 HD21 LEU 11 HD21 LEU 11 -6.061 -2.806 4.067
81 HD22 LEU 11 HD22 LEU 11 -6.667 -4.427 3.729
82 HD23 LEU 11 HD23 LEU 11 -7.424 -3.446 4.983
83 H SER 12 H SER 12 -6.804 -1.155 -0.900
84 HA SER 12 HA SER 12 -4.503 -2.376 -2.105
85 HB2 SER 12 HB2 SER 12 -6.907 -1.073 -2.873
86 HB3 SER 12 HB3 SER 12 -5.597 -0.219 -3.687
87 HG SER 12 HG SER 12 -6.651 -2.543 -4.326
88 H SER 13 H SER 13 -5.161 0.942 -1.005
89 HA SER 13 HA SER 13 -2.794 2.164 -2.125
90 HB2 SER 13 HB2 SER 13 -4.368 2.911 0.362
91 HB3 SER 13 HB3 SER 13 -3.387 3.991 -0.624
92 HG SER 13 HG SER 13 -4.849 3.494 -2.369
93 H LEU 14 H LEU 14 -3.489 0.453 0.906
94 HA LEU 14 HA LEU 14 -1.077 1.113 2.320
95 HB2 LEU 14 HB2 LEU 14 -3.189 -1.024 2.409
96 HB3 LEU 14 HB3 LEU 14 -1.749 -1.208 3.409
97 HG LEU 14 HG LEU 14 -3.008 1.472 3.484
98 HD11 LEU 14 HD11 LEU 14 -4.331 -0.943 4.757
99 HD12 LEU 14 HD12 LEU 14 -5.002 0.018 3.439
100 HD13 LEU 14 HD13 LEU 14 -4.782 0.740 5.033
101 HD21 LEU 14 HD21 LEU 14 -1.133 0.991 4.923
102 HD22 LEU 14 HD22 LEU 14 -1.887 -0.496 5.499
103 HD23 LEU 14 HD23 LEU 14 -2.566 1.068 5.950
104 H THR 15 H THR 15 -1.916 -1.663 0.207
105 HA THR 15 HA THR 15 0.644 -2.979 0.454
106 HB THR 15 HB THR 15 -0.201 -4.145 -1.657
107 HG1 THR 15 HG1 THR 15 -1.550 -2.875 -2.674
108 HG21 THR 15 HG21 THR 15 -0.722 -4.823 0.737
109 HG22 THR 15 HG22 THR 15 -1.888 -5.360 -0.473
110 HG23 THR 15 HG23 THR 15 -2.257 -3.973 0.553
111 H VAL 16 H VAL 16 -0.671 -0.614 -1.881
112 HA VAL 16 HA VAL 16 1.479 -0.612 -3.753
113 HB VAL 16 HB VAL 16 -0.497 1.474 -2.780
114 HG11 VAL 16 HG11 VAL 16 1.278 2.816 -3.624
115 HG12 VAL 16 HG12 VAL 16 0.150 2.661 -4.971
116 HG13 VAL 16 HG13 VAL 16 1.617 1.683 -4.933
117 HG21 VAL 16 HG21 VAL 16 -1.821 0.778 -4.538
118 HG22 VAL 16 HG22 VAL 16 -0.957 -0.731 -4.241
119 HG23 VAL 16 HG23 VAL 16 -0.439 0.341 -5.544
120 H THR 17 H THR 17 0.989 1.379 -0.806
121 HA THR 17 HA THR 17 3.490 2.797 -0.960
122 HB THR 17 HB THR 17 1.728 2.055 1.405
123 HG1 THR 17 HG1 THR 17 0.451 3.496 0.613
124 HG21 THR 17 HG21 THR 17 4.137 3.771 1.096
125 HG22 THR 17 HG22 THR 17 3.552 2.896 2.511
126 HG23 THR 17 HG23 THR 17 2.817 4.434 2.061
127 H GLN 18 H GLN 18 2.525 -0.278 0.576
128 HA GLN 18 HA GLN 18 4.906 -0.822 2.025
129 HB2 GLN 18 HB2 GLN 18 2.487 -2.134 1.231
130 HB3 GLN 18 HB3 GLN 18 3.830 -3.227 0.905
131 HG2 GLN 18 HG2 GLN 18 3.495 -3.756 3.119
132 HG3 GLN 18 HG3 GLN 18 4.580 -2.385 3.343
133 HE21 GLN 18 HE21 GLN 18 1.148 -3.364 3.460
134 HE22 GLN 18 HE22 GLN 18 0.626 -2.016 4.350
135 H LEU 19 H LEU 19 4.066 -1.470 -1.349
136 HA LEU 19 HA LEU 19 6.393 -2.935 -2.122
137 HB2 LEU 19 HB2 LEU 19 4.078 -2.065 -3.299
138 HB3 LEU 19 HB3 LEU 19 5.245 -0.967 -4.034
139 HG LEU 19 HG LEU 19 4.953 -3.015 -5.391
140 HD11 LEU 19 HD11 LEU 19 7.676 -3.139 -4.095
141 HD12 LEU 19 HD12 LEU 19 7.200 -1.777 -5.108
142 HD13 LEU 19 HD13 LEU 19 7.253 -3.404 -5.787
143 HD21 LEU 19 HD21 LEU 19 6.332 -4.637 -3.286
144 HD22 LEU 19 HD22 LEU 19 5.232 -5.159 -4.562
145 HD23 LEU 19 HD23 LEU 19 4.597 -4.366 -3.121
146 H LEU 20 H LEU 20 5.706 0.576 -2.197
147 HA LEU 20 HA LEU 20 8.335 1.404 -3.076
148 HB2 LEU 20 HB2 LEU 20 5.879 2.552 -2.768
149 HB3 LEU 20 HB3 LEU 20 6.693 3.173 -1.332
150 HG LEU 20 HG LEU 20 8.181 3.287 -3.921
151 HD11 LEU 20 HD11 LEU 20 5.997 5.253 -3.161
152 HD12 LEU 20 HD12 LEU 20 5.889 4.086 -4.479
153 HD13 LEU 20 HD13 LEU 20 7.081 5.383 -4.546
154 HD21 LEU 20 HD21 LEU 20 9.205 4.029 -1.802
155 HD22 LEU 20 HD22 LEU 20 7.875 5.160 -1.550
156 HD23 LEU 20 HD23 LEU 20 8.988 5.393 -2.899
157 H ARG 21 H ARG 21 6.805 0.927 0.103
158 HA ARG 21 HA ARG 21 8.824 1.982 1.801
159 HB2 ARG 21 HB2 ARG 21 6.528 1.264 2.440
160 HB3 ARG 21 HB3 ARG 21 6.987 -0.415 2.160
161 HG2 ARG 21 HG2 ARG 21 8.883 0.022 3.867
162 HG3 ARG 21 HG3 ARG 21 7.960 1.459 4.314
163 HD2 ARG 21 HD2 ARG 21 5.955 -0.006 4.704
164 HD3 ARG 21 HD3 ARG 21 6.988 -1.420 4.406
165 HE ARG 21 HE ARG 21 8.469 -0.425 6.284
166 HH11 ARG 21 HH21 ARG 21 6.863 1.938 6.949
167 HH12 ARG 21 HH22 ARG 21 5.836 1.378 8.228
168 HH21 ARG 21 HH11 ARG 21 6.363 -1.985 7.529
169 HH22 ARG 21 HH12 ARG 21 5.554 -0.852 8.557
170 H ARG 22 H ARG 22 8.550 -1.194 0.198
171 HA ARG 22 HA ARG 22 10.684 -2.561 1.513
172 HB2 ARG 22 HB2 ARG 22 9.016 -2.793 -0.870
173 HB3 ARG 22 HB3 ARG 22 10.656 -3.358 -1.186
174 HG2 ARG 22 HG2 ARG 22 10.202 -5.266 -0.095
175 HG3 ARG 22 HG3 ARG 22 9.898 -4.344 1.378
176 HD2 ARG 22 HD2 ARG 22 7.556 -3.871 0.196
177 HD3 ARG 22 HD3 ARG 22 7.942 -5.389 -0.637
178 HE ARG 22 HE ARG 22 8.174 -5.255 2.336
179 HH11 ARG 22 HH11 ARG 22 5.352 -5.605 1.611
180 HH12 ARG 22 HH12 ARG 22 5.193 -7.320 1.438
181 HH21 ARG 22 HH21 ARG 22 8.616 -7.875 1.183
182 HH22 ARG 22 HH22 ARG 22 7.050 -8.613 1.196
183 H LEU 23 H LEU 23 10.670 -0.417 -1.340
184 HA LEU 23 HA LEU 23 13.445 -0.627 -2.016
185 HB2 LEU 23 HB2 LEU 23 11.759 0.321 -3.501
186 HB3 LEU 23 HB3 LEU 23 11.381 1.583 -2.331
187 HG LEU 23 HG LEU 23 14.211 1.610 -2.870
188 HD11 LEU 23 HD11 LEU 23 13.464 0.537 -5.023
189 HD12 LEU 23 HD12 LEU 23 14.215 2.118 -5.238
190 HD13 LEU 23 HD13 LEU 23 12.461 1.957 -5.321
191 HD21 LEU 23 HD21 LEU 23 12.897 3.505 -2.018
192 HD22 LEU 23 HD22 LEU 23 11.955 3.541 -3.509
193 HD23 LEU 23 HD23 LEU 23 13.672 3.944 -3.540
194 H HIS 24 H HIS 24 11.682 1.555 0.203
195 HA HIS 24 HA HIS 24 13.922 3.203 0.943
196 HB2 HIS 24 HB2 HIS 24 11.266 2.462 2.182
197 HB3 HIS 24 HB3 HIS 24 12.380 3.555 3.002
198 HD1 HIS 24 HD1 HIS 24 13.347 5.492 1.105
199 HD2 HIS 24 HD2 HIS 24 9.516 3.919 0.643
200 HE1 HIS 24 HE1 HIS 24 12.073 7.126 -0.353
201 H GLN 25 H GLN 25 12.592 0.183 2.317
202 HA GLN 25 HA GLN 25 14.255 0.014 4.636
203 HB2 GLN 25 HB2 GLN 25 12.521 -1.711 2.989
204 HB3 GLN 25 HB3 GLN 25 13.813 -2.592 3.804
205 HG2 GLN 25 HG2 GLN 25 12.284 -0.576 5.398
206 HG3 GLN 25 HG3 GLN 25 11.488 -2.103 5.020
207 HE21 GLN 25 HE21 GLN 25 14.203 -0.654 6.785
208 HE22 GLN 25 HE22 GLN 25 14.598 -2.047 7.670
209 H TRP 26 H TRP 26 14.796 -0.963 1.262
210 HA TRP 26 HA TRP 26 17.315 -2.328 1.705
211 HB2 TRP 26 HB2 TRP 26 15.560 -1.470 -0.493
212 HB3 TRP 26 HB3 TRP 26 17.269 -1.400 -0.918
213 HD1 TRP 26 HD1 TRP 26 14.442 -3.780 -0.436
214 HE1 TRP 26 HE1 TRP 26 15.268 -6.206 -0.722
215 HE3 TRP 26 HE3 TRP 26 19.491 -3.000 -0.425
216 HZ2 TRP 26 HZ2 TRP 26 17.744 -7.626 -0.919
217 HZ3 TRP 26 HZ3 TRP 26 21.057 -4.905 -0.664
218 HH2 TRP 26 HH2 TRP 26 20.191 -7.215 -0.911
219 H ILE 27 H ILE 27 16.427 1.009 0.790
220 HA ILE 27 HA ILE 27 19.140 1.937 0.367
221 HB ILE 27 HB ILE 27 16.502 3.321 0.960
222 HG12 ILE 27 HG12 ILE 27 17.955 3.298 -1.675
223 HG13 ILE 27 HG13 ILE 27 16.984 1.902 -1.207
224 HG21 ILE 27 HG21 ILE 27 18.289 4.844 1.562
225 HG22 ILE 27 HG22 ILE 27 17.651 5.344 -0.004
226 HG23 ILE 27 HG23 ILE 27 19.174 4.459 0.086
227 HD11 ILE 27 HD11 ILE 27 15.544 3.364 -2.461
228 HD12 ILE 27 HD12 ILE 27 16.049 4.765 -1.516
229 HD13 ILE 27 HD13 ILE 27 15.069 3.502 -0.768
230 H SER 28 H SER 28 16.879 2.146 3.140
231 HA SER 28 HA SER 28 17.274 2.588 5.420
232 HB2 SER 28 HB2 SER 28 18.895 0.693 4.874
233 HB3 SER 28 HB3 SER 28 20.147 1.919 4.708
234 HG SER 28 HG SER 28 19.769 2.518 6.851
Start of MODEL 9
1 H1 SER 1 H1 SER 1 -23.301 3.431 -6.674
2 H2 SER 1 H2 SER 1 -22.932 1.870 -6.111
3 H3 SER 1 H3 SER 1 -21.811 2.720 -7.062
4 HA SER 1 HA SER 1 -21.636 4.420 -5.276
5 HB2 SER 1 HB2 SER 1 -23.692 2.521 -4.219
6 HB3 SER 1 HB3 SER 1 -22.609 3.280 -3.056
7 HG SER 1 HG SER 1 -24.568 4.475 -3.544
8 H ASP 2 H ASP 2 -21.863 0.940 -4.390
9 HA ASP 2 HA ASP 2 -20.221 -0.565 -3.633
10 HB2 ASP 2 HB2 ASP 2 -18.761 1.297 -5.508
11 HB3 ASP 2 HB3 ASP 2 -17.920 -0.039 -4.724
12 H ALA 3 H ALA 3 -20.760 0.824 -1.516
13 HA ALA 3 HA ALA 3 -18.723 2.625 -0.512
14 HB1 ALA 3 HB1 ALA 3 -19.975 2.373 1.576
15 HB2 ALA 3 HB2 ALA 3 -20.751 0.913 0.965
16 HB3 ALA 3 HB3 ALA 3 -21.114 2.477 0.234
17 H ALA 4 H ALA 4 -19.425 -0.843 0.068
18 HA ALA 4 HA ALA 4 -17.261 -1.352 1.878
19 HB1 ALA 4 HB1 ALA 4 -17.788 -3.671 1.403
20 HB2 ALA 4 HB2 ALA 4 -18.525 -3.236 -0.139
21 HB3 ALA 4 HB3 ALA 4 -19.302 -2.768 1.373
22 H ALA 5 H ALA 5 -17.478 -1.547 -1.687
23 HA ALA 5 HA ALA 5 -14.879 -2.656 -2.166
24 HB1 ALA 5 HB1 ALA 5 -16.910 -2.316 -3.728
25 HB2 ALA 5 HB2 ALA 5 -15.319 -2.011 -4.426
26 HB3 ALA 5 HB3 ALA 5 -16.332 -0.660 -3.920
27 H ARG 6 H ARG 6 -16.000 0.701 -1.734
28 HA ARG 6 HA ARG 6 -13.545 2.018 -2.393
29 HB2 ARG 6 HB2 ARG 6 -16.082 2.587 -0.968
30 HB3 ARG 6 HB3 ARG 6 -14.723 3.616 -0.513
31 HG2 ARG 6 HG2 ARG 6 -14.375 3.807 -3.118
32 HG3 ARG 6 HG3 ARG 6 -16.073 3.333 -3.179
33 HD2 ARG 6 HD2 ARG 6 -15.765 5.343 -1.142
34 HD3 ARG 6 HD3 ARG 6 -15.030 5.929 -2.647
35 HE ARG 6 HE ARG 6 -17.160 5.587 -3.776
36 HH11 ARG 6 HH21 ARG 6 -17.695 6.904 -0.955
37 HH12 ARG 6 HH22 ARG 6 -19.170 6.095 -0.544
38 HH21 ARG 6 HH11 ARG 6 -18.840 3.674 -3.020
39 HH22 ARG 6 HH12 ARG 6 -19.819 4.259 -1.715
40 H VAL 7 H VAL 7 -14.761 0.603 0.594
41 HA VAL 7 HA VAL 7 -12.665 1.474 2.356
42 HB VAL 7 HB VAL 7 -14.409 -1.024 2.351
43 HG11 VAL 7 HG11 VAL 7 -13.995 -0.784 4.894
44 HG12 VAL 7 HG12 VAL 7 -12.624 0.229 4.439
45 HG13 VAL 7 HG13 VAL 7 -12.688 -1.454 3.916
46 HG21 VAL 7 HG21 VAL 7 -15.423 0.653 4.253
47 HG22 VAL 7 HG22 VAL 7 -16.019 0.579 2.596
48 HG23 VAL 7 HG23 VAL 7 -14.854 1.819 3.059
49 H THR 8 H THR 8 -13.037 -1.365 0.223
50 HA THR 8 HA THR 8 -10.581 -2.672 0.986
51 HB THR 8 HB THR 8 -12.090 -2.790 -1.642
52 HG1 THR 8 HG1 THR 8 -13.630 -3.704 -0.574
53 HG21 THR 8 HG21 THR 8 -10.554 -4.961 -0.198
54 HG22 THR 8 HG22 THR 8 -9.835 -3.937 -1.442
55 HG23 THR 8 HG23 THR 8 -11.183 -5.001 -1.845
56 H ALA 9 H ALA 9 -11.422 -0.270 -1.461
57 HA ALA 9 HA ALA 9 -8.942 -0.269 -2.898
58 HB1 ALA 9 HB1 ALA 9 -9.826 1.712 -3.898
59 HB2 ALA 9 HB2 ALA 9 -10.756 2.106 -2.453
60 HB3 ALA 9 HB3 ALA 9 -11.242 0.751 -3.472
61 H ILE 10 H ILE 10 -10.059 1.596 -0.107
62 HA ILE 10 HA ILE 10 -7.807 3.336 0.171
63 HB ILE 10 HB ILE 10 -9.782 2.104 2.123
64 HG12 ILE 10 HG12 ILE 10 -10.731 3.647 0.460
65 HG13 ILE 10 HG13 ILE 10 -10.763 4.386 2.059
66 HG21 ILE 10 HG21 ILE 10 -8.999 4.146 3.560
67 HG22 ILE 10 HG22 ILE 10 -7.527 4.040 2.594
68 HG23 ILE 10 HG23 ILE 10 -8.037 2.668 3.579
69 HD11 ILE 10 HD11 ILE 10 -9.885 6.131 0.803
70 HD12 ILE 10 HD12 ILE 10 -9.038 5.049 -0.301
71 HD13 ILE 10 HD13 ILE 10 -8.401 5.331 1.319
72 H LEU 11 H LEU 11 -8.436 0.051 1.403
73 HA LEU 11 HA LEU 11 -5.994 -0.243 2.894
74 HB2 LEU 11 HB2 LEU 11 -8.279 -1.591 2.765
75 HB3 LEU 11 HB3 LEU 11 -7.393 -2.539 1.572
76 HG LEU 11 HG LEU 11 -6.032 -1.929 4.164
77 HD11 LEU 11 HD11 LEU 11 -8.184 -4.036 3.801
78 HD12 LEU 11 HD12 LEU 11 -8.254 -2.651 4.891
79 HD13 LEU 11 HD13 LEU 11 -7.087 -3.942 5.178
80 HD21 LEU 11 HD21 LEU 11 -5.997 -4.028 2.021
81 HD22 LEU 11 HD22 LEU 11 -5.457 -4.469 3.641
82 HD23 LEU 11 HD23 LEU 11 -4.649 -3.169 2.765
83 H SER 12 H SER 12 -6.896 -0.982 -0.447
84 HA SER 12 HA SER 12 -4.543 -2.375 -1.264
85 HB2 SER 12 HB2 SER 12 -6.807 -1.998 -2.439
86 HB3 SER 12 HB3 SER 12 -6.149 -0.451 -2.962
87 HG SER 12 HG SER 12 -4.480 -1.563 -3.993
88 H SER 13 H SER 13 -5.281 1.126 -1.227
89 HA SER 13 HA SER 13 -2.861 2.021 -2.487
90 HB2 SER 13 HB2 SER 13 -5.185 3.150 -1.707
91 HB3 SER 13 HB3 SER 13 -4.171 3.650 -0.356
92 HG SER 13 HG SER 13 -2.797 4.653 -1.784
93 H LEU 14 H LEU 14 -3.710 1.447 0.936
94 HA LEU 14 HA LEU 14 -1.316 2.425 2.142
95 HB2 LEU 14 HB2 LEU 14 -3.695 1.150 2.889
96 HB3 LEU 14 HB3 LEU 14 -2.436 0.018 3.376
97 HG LEU 14 HG LEU 14 -2.874 1.555 5.214
98 HD11 LEU 14 HD11 LEU 14 -0.493 0.846 4.650
99 HD12 LEU 14 HD12 LEU 14 -0.638 2.306 5.628
100 HD13 LEU 14 HD13 LEU 14 -0.288 2.432 3.905
101 HD21 LEU 14 HD21 LEU 14 -3.741 3.389 3.666
102 HD22 LEU 14 HD22 LEU 14 -2.054 3.817 3.375
103 HD23 LEU 14 HD23 LEU 14 -2.727 3.936 5.000
104 H THR 15 H THR 15 -2.156 -0.824 0.914
105 HA THR 15 HA THR 15 0.241 -2.194 1.602
106 HB THR 15 HB THR 15 -1.472 -2.557 -0.879
107 HG1 THR 15 HG1 THR 15 -3.005 -3.188 0.395
108 HG21 THR 15 HG21 THR 15 0.565 -3.941 -0.788
109 HG22 THR 15 HG22 THR 15 -0.880 -4.933 -0.588
110 HG23 THR 15 HG23 THR 15 0.105 -4.516 0.815
111 H VAL 16 H VAL 16 -0.561 -0.251 -1.289
112 HA VAL 16 HA VAL 16 1.833 -0.758 -2.779
113 HB VAL 16 HB VAL 16 -0.003 1.664 -2.662
114 HG11 VAL 16 HG11 VAL 16 1.941 2.365 -3.834
115 HG12 VAL 16 HG12 VAL 16 0.811 1.876 -5.098
116 HG13 VAL 16 HG13 VAL 16 2.126 0.799 -4.625
117 HG21 VAL 16 HG21 VAL 16 -0.243 -0.139 -4.946
118 HG22 VAL 16 HG22 VAL 16 -1.496 0.455 -3.856
119 HG23 VAL 16 HG23 VAL 16 -0.553 -0.971 -3.423
120 H THR 17 H THR 17 1.027 1.814 -0.416
121 HA THR 17 HA THR 17 3.498 3.259 -0.593
122 HB THR 17 HB THR 17 1.713 2.900 1.837
123 HG1 THR 17 HG1 THR 17 0.215 3.881 0.768
124 HG21 THR 17 HG21 THR 17 3.695 4.197 2.307
125 HG22 THR 17 HG22 THR 17 2.339 5.316 2.170
126 HG23 THR 17 HG23 THR 17 3.480 5.145 0.835
127 H GLN 18 H GLN 18 2.480 0.536 1.487
128 HA GLN 18 HA GLN 18 4.845 0.414 3.103
129 HB2 GLN 18 HB2 GLN 18 2.585 -1.399 2.337
130 HB3 GLN 18 HB3 GLN 18 3.955 -2.087 3.210
131 HG2 GLN 18 HG2 GLN 18 3.227 0.393 4.462
132 HG3 GLN 18 HG3 GLN 18 1.775 -0.590 4.277
133 HE21 GLN 18 HE21 GLN 18 5.236 -1.199 5.175
134 HE22 GLN 18 HE22 GLN 18 4.860 -2.204 6.490
135 H LEU 19 H LEU 19 3.954 -1.244 0.105
136 HA LEU 19 HA LEU 19 6.251 -2.900 -0.196
137 HB2 LEU 19 HB2 LEU 19 3.995 -1.962 -1.743
138 HB3 LEU 19 HB3 LEU 19 5.444 -1.931 -2.748
139 HG LEU 19 HG LEU 19 5.779 -4.330 -1.536
140 HD11 LEU 19 HD11 LEU 19 3.652 -5.483 -1.365
141 HD12 LEU 19 HD12 LEU 19 2.786 -4.051 -1.921
142 HD13 LEU 19 HD13 LEU 19 3.582 -4.044 -0.348
143 HD21 LEU 19 HD21 LEU 19 4.749 -5.307 -3.614
144 HD22 LEU 19 HD22 LEU 19 5.878 -3.991 -3.939
145 HD23 LEU 19 HD23 LEU 19 4.140 -3.700 -4.010
146 H LEU 20 H LEU 20 5.698 0.506 -1.076
147 HA LEU 20 HA LEU 20 8.199 0.951 -2.431
148 HB2 LEU 20 HB2 LEU 20 5.871 2.422 -1.496
149 HB3 LEU 20 HB3 LEU 20 7.343 3.341 -1.191
150 HG LEU 20 HG LEU 20 6.363 3.810 -3.438
151 HD11 LEU 20 HD11 LEU 20 8.522 3.244 -4.727
152 HD12 LEU 20 HD12 LEU 20 9.082 2.510 -3.225
153 HD13 LEU 20 HD13 LEU 20 8.691 4.229 -3.274
154 HD21 LEU 20 HD21 LEU 20 6.092 2.163 -5.067
155 HD22 LEU 20 HD22 LEU 20 5.660 1.269 -3.609
156 HD23 LEU 20 HD23 LEU 20 7.265 1.081 -4.316
157 H ARG 21 H ARG 21 7.188 1.246 0.988
158 HA ARG 21 HA ARG 21 9.571 2.451 2.020
159 HB2 ARG 21 HB2 ARG 21 7.187 1.883 3.021
160 HB3 ARG 21 HB3 ARG 21 7.975 0.387 3.523
161 HG2 ARG 21 HG2 ARG 21 9.760 2.501 4.157
162 HG3 ARG 21 HG3 ARG 21 8.163 3.000 4.715
163 HD2 ARG 21 HD2 ARG 21 7.921 0.796 5.884
164 HD3 ARG 21 HD3 ARG 21 9.590 0.408 5.413
165 HE ARG 21 HE ARG 21 8.795 2.601 7.268
166 HH11 ARG 21 HH11 ARG 21 11.138 3.494 5.729
167 HH12 ARG 21 HH12 ARG 21 12.473 2.859 6.631
168 HH21 ARG 21 HH21 ARG 21 10.531 0.581 8.398
169 HH22 ARG 21 HH22 ARG 21 12.128 1.201 8.147
170 H ARG 22 H ARG 22 8.651 -0.982 1.620
171 HA ARG 22 HA ARG 22 11.086 -2.099 2.697
172 HB2 ARG 22 HB2 ARG 22 8.597 -2.934 1.507
173 HB3 ARG 22 HB3 ARG 22 9.918 -3.816 0.744
174 HG2 ARG 22 HG2 ARG 22 10.712 -4.000 3.314
175 HG3 ARG 22 HG3 ARG 22 8.970 -3.890 3.564
176 HD2 ARG 22 HD2 ARG 22 9.610 -6.252 3.331
177 HD3 ARG 22 HD3 ARG 22 8.673 -5.766 1.904
178 HE ARG 22 HE ARG 22 10.646 -5.960 0.604
179 HH11 ARG 22 HH11 ARG 22 11.692 -8.088 2.306
180 HH12 ARG 22 HH12 ARG 22 13.218 -7.470 2.843
181 HH21 ARG 22 HH21 ARG 22 12.474 -4.179 2.001
182 HH22 ARG 22 HH22 ARG 22 13.662 -5.246 2.669
183 H LEU 23 H LEU 23 10.064 -1.133 -0.567
184 HA LEU 23 HA LEU 23 12.277 -2.219 -2.033
185 HB2 LEU 23 HB2 LEU 23 10.031 -1.351 -2.856
186 HB3 LEU 23 HB3 LEU 23 10.659 0.279 -2.621
187 HG LEU 23 HG LEU 23 12.643 -0.482 -4.099
188 HD11 LEU 23 HD11 LEU 23 11.971 -2.281 -5.726
189 HD12 LEU 23 HD12 LEU 23 10.586 -2.631 -4.691
190 HD13 LEU 23 HD13 LEU 23 12.224 -2.871 -4.083
191 HD21 LEU 23 HD21 LEU 23 10.631 1.024 -4.708
192 HD22 LEU 23 HD22 LEU 23 9.976 -0.399 -5.518
193 HD23 LEU 23 HD23 LEU 23 11.516 0.282 -6.041
194 H HIS 24 H HIS 24 11.732 1.050 -0.653
195 HA HIS 24 HA HIS 24 14.201 2.221 -1.506
196 HB2 HIS 24 HB2 HIS 24 12.044 2.729 0.470
197 HB3 HIS 24 HB3 HIS 24 13.583 3.516 0.818
198 HD1 HIS 24 HD1 HIS 24 10.562 4.093 -0.988
199 HD2 HIS 24 HD2 HIS 24 14.583 4.872 -1.762
200 HE1 HIS 24 HE1 HIS 24 10.613 5.867 -2.793
201 H GLN 25 H GLN 25 13.364 0.382 1.442
202 HA GLN 25 HA GLN 25 15.811 0.745 2.874
203 HB2 GLN 25 HB2 GLN 25 13.388 -0.731 3.061
204 HB3 GLN 25 HB3 GLN 25 14.698 -1.901 3.217
205 HG2 GLN 25 HG2 GLN 25 14.976 0.651 4.735
206 HG3 GLN 25 HG3 GLN 25 13.778 -0.504 5.319
207 HE21 GLN 25 HE21 GLN 25 14.555 -2.294 6.503
208 HE22 GLN 25 HE22 GLN 25 16.198 -2.689 6.658
209 H TRP 26 H TRP 26 14.874 -1.614 0.373
210 HA TRP 26 HA TRP 26 17.270 -3.217 0.501
211 HB2 TRP 26 HB2 TRP 26 14.797 -3.092 -0.913
212 HB3 TRP 26 HB3 TRP 26 16.075 -3.140 -2.123
213 HD1 TRP 26 HD1 TRP 26 18.154 -4.955 -0.576
214 HE1 TRP 26 HE1 TRP 26 17.658 -7.463 -0.249
215 HE3 TRP 26 HE3 TRP 26 13.081 -4.938 -1.178
216 HZ2 TRP 26 HZ2 TRP 26 15.408 -9.231 -0.245
217 HZ3 TRP 26 HZ3 TRP 26 11.789 -7.049 -1.010
218 HH2 TRP 26 HH2 TRP 26 12.945 -9.191 -0.545
219 H ILE 27 H ILE 27 16.495 -0.158 -1.074
220 HA ILE 27 HA ILE 27 18.836 -0.241 -2.860
221 HB ILE 27 HB ILE 27 16.876 1.969 -2.144
222 HG12 ILE 27 HG12 ILE 27 15.674 0.105 -3.115
223 HG13 ILE 27 HG13 ILE 27 15.847 1.336 -4.362
224 HG21 ILE 27 HG21 ILE 27 17.610 2.889 -4.375
225 HG22 ILE 27 HG22 ILE 27 18.887 1.672 -4.392
226 HG23 ILE 27 HG23 ILE 27 18.867 2.912 -3.138
227 HD11 ILE 27 HD11 ILE 27 17.963 0.071 -5.088
228 HD12 ILE 27 HD12 ILE 27 16.418 -0.708 -5.433
229 HD13 ILE 27 HD13 ILE 27 17.390 -1.244 -4.063
230 H SER 28 H SER 28 17.826 1.800 -0.070
231 HA SER 28 HA SER 28 20.724 2.179 0.586
232 HB2 SER 28 HB2 SER 28 18.575 4.318 0.450
233 HB3 SER 28 HB3 SER 28 20.253 4.580 0.913
234 HG SER 28 HG SER 28 20.835 3.821 -1.186
Start of MODEL 10
1 H1 SER 1 H1 SER 1 -24.364 0.692 -6.799
2 H2 SER 1 H2 SER 1 -23.415 -0.665 -7.186
3 H3 SER 1 H3 SER 1 -22.703 0.876 -7.094
4 HA SER 1 HA SER 1 -23.213 0.967 -4.700
5 HB2 SER 1 HB2 SER 1 -24.157 -1.861 -5.281
6 HB3 SER 1 HB3 SER 1 -24.113 -1.102 -3.692
7 HG SER 1 HG SER 1 -26.181 -0.945 -4.651
8 H ASP 2 H ASP 2 -21.056 1.039 -4.153
9 HA ASP 2 HA ASP 2 -19.489 -1.488 -4.198
10 HB2 ASP 2 HB2 ASP 2 -19.287 -0.143 -6.383
11 HB3 ASP 2 HB3 ASP 2 -18.436 1.071 -5.428
12 H ALA 3 H ALA 3 -20.438 -0.264 -1.897
13 HA ALA 3 HA ALA 3 -18.572 1.675 -0.784
14 HB1 ALA 3 HB1 ALA 3 -20.931 1.485 -0.109
15 HB2 ALA 3 HB2 ALA 3 -19.879 1.210 1.280
16 HB3 ALA 3 HB3 ALA 3 -20.643 -0.157 0.469
17 H ALA 4 H ALA 4 -19.112 -1.833 -0.229
18 HA ALA 4 HA ALA 4 -17.059 -2.240 1.700
19 HB1 ALA 4 HB1 ALA 4 -17.995 -4.172 -0.443
20 HB2 ALA 4 HB2 ALA 4 -18.948 -3.773 0.987
21 HB3 ALA 4 HB3 ALA 4 -17.386 -4.573 1.162
22 H ALA 5 H ALA 5 -16.914 -2.687 -1.867
23 HA ALA 5 HA ALA 5 -14.141 -3.424 -1.962
24 HB1 ALA 5 HB1 ALA 5 -14.481 -3.350 -4.270
25 HB2 ALA 5 HB2 ALA 5 -15.508 -1.922 -4.173
26 HB3 ALA 5 HB3 ALA 5 -16.143 -3.497 -3.700
27 H ARG 6 H ARG 6 -15.777 -0.257 -2.074
28 HA ARG 6 HA ARG 6 -13.515 1.339 -2.781
29 HB2 ARG 6 HB2 ARG 6 -15.728 2.264 -2.854
30 HB3 ARG 6 HB3 ARG 6 -16.043 1.807 -1.183
31 HG2 ARG 6 HG2 ARG 6 -13.695 3.533 -1.422
32 HG3 ARG 6 HG3 ARG 6 -15.152 4.299 -2.055
33 HD2 ARG 6 HD2 ARG 6 -16.332 3.955 0.037
34 HD3 ARG 6 HD3 ARG 6 -15.003 2.965 0.674
35 HE ARG 6 HE ARG 6 -13.902 5.460 -0.131
36 HH11 ARG 6 HH11 ARG 6 -16.383 6.570 1.070
37 HH12 ARG 6 HH12 ARG 6 -15.962 6.723 2.743
38 HH21 ARG 6 HH21 ARG 6 -13.219 4.595 2.515
39 HH22 ARG 6 HH22 ARG 6 -14.161 5.602 3.564
40 H VAL 7 H VAL 7 -14.672 0.143 0.327
41 HA VAL 7 HA VAL 7 -12.779 1.527 2.004
42 HB VAL 7 HB VAL 7 -14.279 -1.104 2.309
43 HG11 VAL 7 HG11 VAL 7 -12.510 -1.137 3.919
44 HG12 VAL 7 HG12 VAL 7 -13.945 -0.598 4.790
45 HG13 VAL 7 HG13 VAL 7 -12.726 0.574 4.292
46 HG21 VAL 7 HG21 VAL 7 -16.092 0.176 2.705
47 HG22 VAL 7 HG22 VAL 7 -15.151 1.603 2.273
48 HG23 VAL 7 HG23 VAL 7 -15.219 1.068 3.952
49 H THR 8 H THR 8 -12.739 -1.619 0.320
50 HA THR 8 HA THR 8 -10.199 -2.517 1.344
51 HB THR 8 HB THR 8 -11.672 -3.155 -1.232
52 HG1 THR 8 HG1 THR 8 -12.993 -4.131 0.051
53 HG21 THR 8 HG21 THR 8 -9.253 -4.272 0.096
54 HG22 THR 8 HG22 THR 8 -9.665 -4.201 -1.617
55 HG23 THR 8 HG23 THR 8 -10.393 -5.432 -0.587
56 H ALA 9 H ALA 9 -11.162 -0.563 -1.435
57 HA ALA 9 HA ALA 9 -8.626 -0.497 -2.773
58 HB1 ALA 9 HB1 ALA 9 -10.995 0.206 -3.543
59 HB2 ALA 9 HB2 ALA 9 -9.650 1.217 -4.071
60 HB3 ALA 9 HB3 ALA 9 -10.663 1.731 -2.723
61 H ILE 10 H ILE 10 -10.037 1.550 -0.263
62 HA ILE 10 HA ILE 10 -7.960 3.530 -0.146
63 HB ILE 10 HB ILE 10 -9.959 2.410 1.846
64 HG12 ILE 10 HG12 ILE 10 -10.872 3.668 -0.075
65 HG13 ILE 10 HG13 ILE 10 -11.105 4.559 1.427
66 HG21 ILE 10 HG21 ILE 10 -9.424 4.617 3.093
67 HG22 ILE 10 HG22 ILE 10 -7.915 4.604 2.182
68 HG23 ILE 10 HG23 ILE 10 -8.294 3.276 3.279
69 HD11 ILE 10 HD11 ILE 10 -9.631 5.341 -0.940
70 HD12 ILE 10 HD12 ILE 10 -8.576 5.355 0.473
71 HD13 ILE 10 HD13 ILE 10 -10.058 6.309 0.470
72 H LEU 11 H LEU 11 -8.408 0.394 1.479
73 HA LEU 11 HA LEU 11 -6.033 0.499 3.104
74 HB2 LEU 11 HB2 LEU 11 -8.254 -1.105 2.843
75 HB3 LEU 11 HB3 LEU 11 -6.991 -2.130 2.167
76 HG LEU 11 HG LEU 11 -7.221 -2.517 4.587
77 HD11 LEU 11 HD11 LEU 11 -4.934 -2.434 3.323
78 HD12 LEU 11 HD12 LEU 11 -4.931 -2.495 5.085
79 HD13 LEU 11 HD13 LEU 11 -4.665 -0.962 4.257
80 HD21 LEU 11 HD21 LEU 11 -6.328 0.350 4.975
81 HD22 LEU 11 HD22 LEU 11 -6.886 -0.785 6.203
82 HD23 LEU 11 HD23 LEU 11 -8.025 -0.131 5.027
83 H SER 12 H SER 12 -6.731 -0.757 -0.125
84 HA SER 12 HA SER 12 -4.246 -2.050 -0.668
85 HB2 SER 12 HB2 SER 12 -6.417 -0.739 -2.290
86 HB3 SER 12 HB3 SER 12 -4.981 -1.364 -3.094
87 HG SER 12 HG SER 12 -6.993 -2.709 -1.678
88 H SER 13 H SER 13 -5.251 1.351 -1.105
89 HA SER 13 HA SER 13 -2.911 2.303 -2.447
90 HB2 SER 13 HB2 SER 13 -5.259 3.356 -1.898
91 HB3 SER 13 HB3 SER 13 -4.466 3.910 -0.426
92 HG SER 13 HG SER 13 -4.396 5.302 -2.402
93 H LEU 14 H LEU 14 -3.692 2.022 1.028
94 HA LEU 14 HA LEU 14 -1.314 3.256 2.057
95 HB2 LEU 14 HB2 LEU 14 -3.536 1.525 2.988
96 HB3 LEU 14 HB3 LEU 14 -2.062 1.425 3.951
97 HG LEU 14 HG LEU 14 -2.207 4.102 3.675
98 HD11 LEU 14 HD11 LEU 14 -4.563 4.804 3.897
99 HD12 LEU 14 HD12 LEU 14 -5.084 3.134 3.679
100 HD13 LEU 14 HD13 LEU 14 -4.293 3.990 2.357
101 HD21 LEU 14 HD21 LEU 14 -3.241 4.132 5.915
102 HD22 LEU 14 HD22 LEU 14 -2.056 2.832 5.796
103 HD23 LEU 14 HD23 LEU 14 -3.779 2.466 5.695
104 H THR 15 H THR 15 -2.091 -0.149 1.278
105 HA THR 15 HA THR 15 0.344 -1.338 2.186
106 HB THR 15 HB THR 15 -1.405 -2.133 -0.168
107 HG1 THR 15 HG1 THR 15 -2.872 -2.624 1.241
108 HG21 THR 15 HG21 THR 15 -0.711 -4.416 0.440
109 HG22 THR 15 HG22 THR 15 0.286 -3.769 1.743
110 HG23 THR 15 HG23 THR 15 0.692 -3.416 0.064
111 H VAL 16 H VAL 16 -0.544 0.071 -0.981
112 HA VAL 16 HA VAL 16 1.838 -0.593 -2.410
113 HB VAL 16 HB VAL 16 -0.076 1.762 -2.601
114 HG11 VAL 16 HG11 VAL 16 1.814 2.448 -3.843
115 HG12 VAL 16 HG12 VAL 16 0.770 1.700 -5.052
116 HG13 VAL 16 HG13 VAL 16 2.149 0.811 -4.406
117 HG21 VAL 16 HG21 VAL 16 -0.187 -0.303 -4.665
118 HG22 VAL 16 HG22 VAL 16 -1.487 0.349 -3.666
119 HG23 VAL 16 HG23 VAL 16 -0.481 -0.966 -3.058
120 H THR 17 H THR 17 1.031 2.289 -0.434
121 HA THR 17 HA THR 17 3.440 3.757 -0.853
122 HB THR 17 HB THR 17 1.714 3.571 1.644
123 HG1 THR 17 HG1 THR 17 0.239 4.484 0.491
124 HG21 THR 17 HG21 THR 17 3.213 5.963 0.567
125 HG22 THR 17 HG22 THR 17 3.934 4.843 1.723
126 HG23 THR 17 HG23 THR 17 2.493 5.758 2.164
127 H GLN 18 H GLN 18 2.613 1.295 1.610
128 HA GLN 18 HA GLN 18 5.130 1.373 3.000
129 HB2 GLN 18 HB2 GLN 18 2.736 -0.387 2.797
130 HB3 GLN 18 HB3 GLN 18 4.193 -1.113 3.476
131 HG2 GLN 18 HG2 GLN 18 4.253 0.380 5.282
132 HG3 GLN 18 HG3 GLN 18 3.261 1.578 4.450
133 HE21 GLN 18 HE21 GLN 18 0.901 0.889 4.059
134 HE22 GLN 18 HE22 GLN 18 0.167 -0.103 5.226
135 H LEU 19 H LEU 19 3.908 -0.647 0.368
136 HA LEU 19 HA LEU 19 6.086 -2.433 0.065
137 HB2 LEU 19 HB2 LEU 19 3.784 -1.468 -1.445
138 HB3 LEU 19 HB3 LEU 19 5.148 -1.793 -2.512
139 HG LEU 19 HG LEU 19 3.679 -3.789 -2.158
140 HD11 LEU 19 HD11 LEU 19 6.473 -4.065 -1.007
141 HD12 LEU 19 HD12 LEU 19 6.088 -4.015 -2.727
142 HD13 LEU 19 HD13 LEU 19 5.513 -5.353 -1.734
143 HD21 LEU 19 HD21 LEU 19 3.364 -3.048 0.359
144 HD22 LEU 19 HD22 LEU 19 4.815 -4.016 0.615
145 HD23 LEU 19 HD23 LEU 19 3.366 -4.760 -0.061
146 H LEU 20 H LEU 20 5.640 0.880 -1.169
147 HA LEU 20 HA LEU 20 8.036 1.003 -2.764
148 HB2 LEU 20 HB2 LEU 20 6.258 3.028 -1.376
149 HB3 LEU 20 HB3 LEU 20 7.626 3.517 -2.375
150 HG LEU 20 HG LEU 20 5.660 1.554 -3.502
151 HD11 LEU 20 HD11 LEU 20 4.219 3.364 -4.276
152 HD12 LEU 20 HD12 LEU 20 5.241 4.559 -3.477
153 HD13 LEU 20 HD13 LEU 20 4.309 3.412 -2.515
154 HD21 LEU 20 HD21 LEU 20 6.322 2.622 -5.592
155 HD22 LEU 20 HD22 LEU 20 7.774 2.213 -4.680
156 HD23 LEU 20 HD23 LEU 20 7.193 3.878 -4.713
157 H ARG 21 H ARG 21 7.331 1.831 0.646
158 HA ARG 21 HA ARG 21 9.958 2.867 1.264
159 HB2 ARG 21 HB2 ARG 21 7.667 3.084 2.476
160 HB3 ARG 21 HB3 ARG 21 8.059 1.521 3.194
161 HG2 ARG 21 HG2 ARG 21 9.153 2.729 4.773
162 HG3 ARG 21 HG3 ARG 21 10.407 2.918 3.548
163 HD2 ARG 21 HD2 ARG 21 10.054 5.157 3.653
164 HD3 ARG 21 HD3 ARG 21 8.452 4.878 2.946
165 HE ARG 21 HE ARG 21 7.942 4.260 5.527
166 HH11 ARG 21 HH21 ARG 21 7.051 6.914 4.643
167 HH12 ARG 21 HH22 ARG 21 7.908 7.993 5.691
168 HH21 ARG 21 HH11 ARG 21 10.237 5.604 6.671
169 HH22 ARG 21 HH12 ARG 21 9.722 7.248 6.844
170 H ARG 22 H ARG 22 8.426 -0.337 1.753
171 HA ARG 22 HA ARG 22 10.688 -1.621 2.968
172 HB2 ARG 22 HB2 ARG 22 8.079 -2.309 1.782
173 HB3 ARG 22 HB3 ARG 22 9.279 -3.592 1.634
174 HG2 ARG 22 HG2 ARG 22 9.284 -2.330 4.282
175 HG3 ARG 22 HG3 ARG 22 7.742 -3.088 3.884
176 HD2 ARG 22 HD2 ARG 22 8.779 -5.221 3.502
177 HD3 ARG 22 HD3 ARG 22 10.404 -4.506 3.544
178 HE ARG 22 HE ARG 22 10.172 -4.192 5.932
179 HH11 ARG 22 HH11 ARG 22 9.187 -7.018 5.695
180 HH12 ARG 22 HH12 ARG 22 7.707 -6.964 6.592
181 HH21 ARG 22 HH21 ARG 22 7.505 -3.492 6.544
182 HH22 ARG 22 HH22 ARG 22 6.749 -4.957 7.076
183 H LEU 23 H LEU 23 9.600 -1.467 -0.446
184 HA LEU 23 HA LEU 23 11.646 -3.110 -1.575
185 HB2 LEU 23 HB2 LEU 23 9.488 -2.222 -2.605
186 HB3 LEU 23 HB3 LEU 23 10.328 -0.688 -2.834
187 HG LEU 23 HG LEU 23 12.160 -2.145 -3.997
188 HD11 LEU 23 HD11 LEU 23 11.480 -4.351 -3.551
189 HD12 LEU 23 HD12 LEU 23 10.910 -4.093 -5.198
190 HD13 LEU 23 HD13 LEU 23 9.780 -3.988 -3.848
191 HD21 LEU 23 HD21 LEU 23 9.509 -1.907 -5.436
192 HD22 LEU 23 HD22 LEU 23 11.130 -1.734 -6.107
193 HD23 LEU 23 HD23 LEU 23 10.484 -0.493 -5.034
194 H HIS 24 H HIS 24 11.568 0.393 -0.873
195 HA HIS 24 HA HIS 24 14.075 1.073 -2.108
196 HB2 HIS 24 HB2 HIS 24 12.283 2.656 -1.411
197 HB3 HIS 24 HB3 HIS 24 12.626 2.283 0.278
198 HD1 HIS 24 HD1 HIS 24 14.950 3.083 1.231
199 HD2 HIS 24 HD2 HIS 24 14.115 4.425 -2.627
200 HE1 HIS 24 HE1 HIS 24 16.611 4.932 0.740
201 H GLN 25 H GLN 25 13.233 0.051 1.217
202 HA GLN 25 HA GLN 25 15.838 0.319 2.380
203 HB2 GLN 25 HB2 GLN 25 13.552 -0.064 3.469
204 HB3 GLN 25 HB3 GLN 25 13.731 -1.763 3.030
205 HG2 GLN 25 HG2 GLN 25 16.168 -1.183 4.209
206 HG3 GLN 25 HG3 GLN 25 15.033 -0.246 5.180
207 HE21 GLN 25 HE21 GLN 25 16.523 -3.100 5.374
208 HE22 GLN 25 HE22 GLN 25 15.294 -4.073 6.023
209 H TRP 26 H TRP 26 14.317 -2.294 0.516
210 HA TRP 26 HA TRP 26 16.384 -4.274 0.940
211 HB2 TRP 26 HB2 TRP 26 14.118 -4.845 0.259
212 HB3 TRP 26 HB3 TRP 26 14.256 -3.845 -1.185
213 HD1 TRP 26 HD1 TRP 26 15.473 -7.144 0.312
214 HE1 TRP 26 HE1 TRP 26 16.417 -8.615 -1.585
215 HE3 TRP 26 HE3 TRP 26 15.312 -3.812 -3.554
216 HZ2 TRP 26 HZ2 TRP 26 17.023 -8.405 -4.372
217 HZ3 TRP 26 HZ3 TRP 26 16.078 -4.472 -5.816
218 HH2 TRP 26 HH2 TRP 26 16.932 -6.762 -6.230
219 H ILE 27 H ILE 27 15.869 -1.722 -1.491
220 HA ILE 27 HA ILE 27 18.083 -2.590 -3.188
221 HB ILE 27 HB ILE 27 15.826 -1.094 -3.509
222 HG12 ILE 27 HG12 ILE 27 18.101 -0.422 -5.318
223 HG13 ILE 27 HG13 ILE 27 17.695 -2.128 -5.132
224 HG21 ILE 27 HG21 ILE 27 16.854 0.814 -2.247
225 HG22 ILE 27 HG22 ILE 27 16.418 1.229 -3.904
226 HG23 ILE 27 HG23 ILE 27 18.102 0.911 -3.487
227 HD11 ILE 27 HD11 ILE 27 15.326 -1.594 -5.691
228 HD12 ILE 27 HD12 ILE 27 16.432 -1.187 -7.003
229 HD13 ILE 27 HD13 ILE 27 15.793 0.085 -5.962
230 H SER 28 H SER 28 17.708 -0.347 -0.481
231 HA SER 28 HA SER 28 20.643 -0.043 -0.324
232 HB2 SER 28 HB2 SER 28 18.747 2.007 -1.330
233 HB3 SER 28 HB3 SER 28 19.931 2.584 -0.161
234 HG SER 28 HG SER 28 20.560 1.037 -2.463
Start of MODEL 11
1 H1 SER 1 H1 SER 1 -22.418 -5.611 1.186
2 H2 SER 1 H2 SER 1 -21.465 -4.916 -0.038
3 H3 SER 1 H3 SER 1 -23.117 -4.531 0.079
4 HA SER 1 HA SER 1 -22.795 -3.317 2.091
5 HB2 SER 1 HB2 SER 1 -19.967 -4.405 1.897
6 HB3 SER 1 HB3 SER 1 -20.585 -3.376 3.186
7 HG SER 1 HG SER 1 -20.762 -5.470 3.890
8 H ASP 2 H ASP 2 -22.060 -1.109 2.046
9 HA ASP 2 HA ASP 2 -20.985 -0.249 -0.601
10 HB2 ASP 2 HB2 ASP 2 -22.485 1.080 1.670
11 HB3 ASP 2 HB3 ASP 2 -21.828 1.998 0.315
12 H ALA 3 H ALA 3 -20.575 0.720 2.838
13 HA ALA 3 HA ALA 3 -18.163 2.201 2.468
14 HB1 ALA 3 HB1 ALA 3 -19.513 2.465 4.435
15 HB2 ALA 3 HB2 ALA 3 -17.984 1.773 4.978
16 HB3 ALA 3 HB3 ALA 3 -19.407 0.745 4.814
17 H ALA 4 H ALA 4 -18.703 -1.269 2.979
18 HA ALA 4 HA ALA 4 -16.094 -2.086 3.748
19 HB1 ALA 4 HB1 ALA 4 -18.133 -3.486 3.747
20 HB2 ALA 4 HB2 ALA 4 -16.834 -4.270 2.848
21 HB3 ALA 4 HB3 ALA 4 -18.144 -3.466 1.984
22 H ALA 5 H ALA 5 -17.442 -1.548 0.476
23 HA ALA 5 HA ALA 5 -15.139 -2.473 -0.984
24 HB1 ALA 5 HB1 ALA 5 -17.438 -2.160 -1.891
25 HB2 ALA 5 HB2 ALA 5 -16.240 -1.283 -2.845
26 HB3 ALA 5 HB3 ALA 5 -17.260 -0.415 -1.697
27 H ARG 6 H ARG 6 -16.093 0.767 0.204
28 HA ARG 6 HA ARG 6 -13.919 2.217 -0.967
29 HB2 ARG 6 HB2 ARG 6 -15.572 2.633 1.543
30 HB3 ARG 6 HB3 ARG 6 -14.480 3.851 0.888
31 HG2 ARG 6 HG2 ARG 6 -16.708 2.603 -0.742
32 HG3 ARG 6 HG3 ARG 6 -16.917 4.087 0.187
33 HD2 ARG 6 HD2 ARG 6 -16.034 5.253 -1.542
34 HD3 ARG 6 HD3 ARG 6 -14.508 4.374 -1.324
35 HE ARG 6 HE ARG 6 -15.368 2.643 -2.866
36 HH11 ARG 6 HH11 ARG 6 -18.262 2.992 -2.737
37 HH12 ARG 6 HH12 ARG 6 -18.630 3.908 -4.158
38 HH21 ARG 6 HH21 ARG 6 -15.346 4.943 -4.648
39 HH22 ARG 6 HH22 ARG 6 -16.970 5.019 -5.246
40 H VAL 7 H VAL 7 -14.218 0.387 2.022
41 HA VAL 7 HA VAL 7 -11.711 1.133 3.224
42 HB VAL 7 HB VAL 7 -13.427 -1.377 3.384
43 HG11 VAL 7 HG11 VAL 7 -11.075 -0.447 5.049
44 HG12 VAL 7 HG12 VAL 7 -11.261 -1.985 4.207
45 HG13 VAL 7 HG13 VAL 7 -12.244 -1.634 5.629
46 HG21 VAL 7 HG21 VAL 7 -14.683 -0.283 4.945
47 HG22 VAL 7 HG22 VAL 7 -14.053 1.170 4.171
48 HG23 VAL 7 HG23 VAL 7 -13.284 0.545 5.630
49 H THR 8 H THR 8 -12.663 -1.423 0.917
50 HA THR 8 HA THR 8 -10.099 -2.727 0.777
51 HB THR 8 HB THR 8 -12.387 -2.516 -1.205
52 HG1 THR 8 HG1 THR 8 -13.333 -3.773 0.162
53 HG21 THR 8 HG21 THR 8 -11.318 -4.922 -1.699
54 HG22 THR 8 HG22 THR 8 -9.858 -4.094 -1.159
55 HG23 THR 8 HG23 THR 8 -10.769 -3.469 -2.533
56 H ALA 9 H ALA 9 -11.548 -0.025 -0.983
57 HA ALA 9 HA ALA 9 -9.530 0.246 -3.006
58 HB1 ALA 9 HB1 ALA 9 -10.589 2.371 -3.403
59 HB2 ALA 9 HB2 ALA 9 -11.181 2.447 -1.744
60 HB3 ALA 9 HB3 ALA 9 -11.865 1.277 -2.871
61 H ILE 10 H ILE 10 -9.854 1.619 0.232
62 HA ILE 10 HA ILE 10 -7.563 3.349 0.184
63 HB ILE 10 HB ILE 10 -8.973 1.809 2.398
64 HG12 ILE 10 HG12 ILE 10 -9.119 4.776 1.893
65 HG13 ILE 10 HG13 ILE 10 -10.121 3.674 0.948
66 HG21 ILE 10 HG21 ILE 10 -6.832 2.349 3.295
67 HG22 ILE 10 HG22 ILE 10 -7.906 3.627 3.862
68 HG23 ILE 10 HG23 ILE 10 -6.817 3.928 2.509
69 HD11 ILE 10 HD11 ILE 10 -10.217 4.285 3.875
70 HD12 ILE 10 HD12 ILE 10 -10.672 2.666 3.344
71 HD13 ILE 10 HD13 ILE 10 -11.542 4.072 2.732
72 H LEU 11 H LEU 11 -7.996 -0.079 1.013
73 HA LEU 11 HA LEU 11 -5.315 -0.640 1.856
74 HB2 LEU 11 HB2 LEU 11 -7.446 -1.979 2.203
75 HB3 LEU 11 HB3 LEU 11 -7.303 -2.490 0.522
76 HG LEU 11 HG LEU 11 -4.766 -2.851 1.833
77 HD11 LEU 11 HD11 LEU 11 -6.995 -4.436 3.119
78 HD12 LEU 11 HD12 LEU 11 -6.369 -2.955 3.845
79 HD13 LEU 11 HD13 LEU 11 -5.303 -4.339 3.605
80 HD21 LEU 11 HD21 LEU 11 -6.771 -4.921 0.884
81 HD22 LEU 11 HD22 LEU 11 -5.020 -5.103 0.993
82 HD23 LEU 11 HD23 LEU 11 -5.718 -4.013 -0.204
83 H SER 12 H SER 12 -6.915 -0.769 -1.300
84 HA SER 12 HA SER 12 -4.848 -2.009 -2.823
85 HB2 SER 12 HB2 SER 12 -7.016 0.010 -3.427
86 HB3 SER 12 HB3 SER 12 -5.968 -0.618 -4.693
87 HG SER 12 HG SER 12 -8.047 -1.806 -3.368
88 H SER 13 H SER 13 -5.431 1.455 -2.115
89 HA SER 13 HA SER 13 -3.161 2.488 -3.556
90 HB2 SER 13 HB2 SER 13 -5.270 3.626 -2.506
91 HB3 SER 13 HB3 SER 13 -4.325 3.659 -1.020
92 HG SER 13 HG SER 13 -3.735 4.855 -3.525
93 H LEU 14 H LEU 14 -3.596 1.237 -0.260
94 HA LEU 14 HA LEU 14 -1.051 1.989 0.824
95 HB2 LEU 14 HB2 LEU 14 -3.346 0.293 1.452
96 HB3 LEU 14 HB3 LEU 14 -1.836 -0.434 1.995
97 HG LEU 14 HG LEU 14 -1.301 1.933 2.938
98 HD11 LEU 14 HD11 LEU 14 -3.333 2.905 1.712
99 HD12 LEU 14 HD12 LEU 14 -3.162 3.347 3.410
100 HD13 LEU 14 HD13 LEU 14 -4.321 2.106 2.936
101 HD21 LEU 14 HD21 LEU 14 -1.758 -0.061 4.323
102 HD22 LEU 14 HD22 LEU 14 -3.492 0.220 4.157
103 HD23 LEU 14 HD23 LEU 14 -2.490 1.378 5.032
104 H THR 15 H THR 15 -2.100 -0.826 -1.104
105 HA THR 15 HA THR 15 0.174 -2.497 -0.834
106 HB THR 15 HB THR 15 -1.452 -1.994 -3.351
107 HG1 THR 15 HG1 THR 15 -2.040 -3.597 -1.082
108 HG21 THR 15 HG21 THR 15 0.034 -4.391 -2.253
109 HG22 THR 15 HG22 THR 15 0.374 -3.510 -3.743
110 HG23 THR 15 HG23 THR 15 -1.091 -4.481 -3.607
111 H VAL 16 H VAL 16 -0.415 0.146 -3.191
112 HA VAL 16 HA VAL 16 2.099 -0.058 -4.562
113 HB VAL 16 HB VAL 16 -0.026 2.052 -4.152
114 HG11 VAL 16 HG11 VAL 16 2.646 2.381 -5.541
115 HG12 VAL 16 HG12 VAL 16 1.919 3.429 -4.321
116 HG13 VAL 16 HG13 VAL 16 1.243 3.370 -5.949
117 HG21 VAL 16 HG21 VAL 16 -0.281 1.707 -6.604
118 HG22 VAL 16 HG22 VAL 16 -0.479 0.205 -5.702
119 HG23 VAL 16 HG23 VAL 16 1.028 0.527 -6.559
120 H THR 17 H THR 17 1.055 1.977 -1.799
121 HA THR 17 HA THR 17 3.580 3.313 -1.410
122 HB THR 17 HB THR 17 1.476 2.643 0.674
123 HG1 THR 17 HG1 THR 17 0.153 3.869 -0.378
124 HG21 THR 17 HG21 THR 17 3.242 5.079 0.302
125 HG22 THR 17 HG22 THR 17 3.574 3.763 1.431
126 HG23 THR 17 HG23 THR 17 2.145 4.774 1.649
127 H GLN 18 H GLN 18 2.188 0.302 -0.104
128 HA GLN 18 HA GLN 18 4.161 -0.327 1.839
129 HB2 GLN 18 HB2 GLN 18 2.036 -1.662 0.304
130 HB3 GLN 18 HB3 GLN 18 3.344 -2.750 0.763
131 HG2 GLN 18 HG2 GLN 18 2.701 -2.750 2.926
132 HG3 GLN 18 HG3 GLN 18 2.606 -0.990 2.965
133 HE21 GLN 18 HE21 GLN 18 0.719 -3.602 1.288
134 HE22 GLN 18 HE22 GLN 18 -0.795 -2.982 1.739
135 H LEU 19 H LEU 19 4.070 -0.984 -1.635
136 HA LEU 19 HA LEU 19 6.414 -2.581 -1.884
137 HB2 LEU 19 HB2 LEU 19 4.524 -1.721 -3.558
138 HB3 LEU 19 HB3 LEU 19 5.715 -0.468 -3.905
139 HG LEU 19 HG LEU 19 6.506 -3.376 -3.902
140 HD11 LEU 19 HD11 LEU 19 6.068 -3.436 -6.322
141 HD12 LEU 19 HD12 LEU 19 5.387 -1.810 -6.247
142 HD13 LEU 19 HD13 LEU 19 4.574 -3.146 -5.432
143 HD21 LEU 19 HD21 LEU 19 7.662 -0.769 -4.673
144 HD22 LEU 19 HD22 LEU 19 7.903 -2.050 -5.861
145 HD23 LEU 19 HD23 LEU 19 8.472 -2.264 -4.206
146 H LEU 20 H LEU 20 5.978 0.953 -1.823
147 HA LEU 20 HA LEU 20 8.720 1.692 -2.278
148 HB2 LEU 20 HB2 LEU 20 6.290 2.941 -2.078
149 HB3 LEU 20 HB3 LEU 20 7.025 3.396 -0.541
150 HG LEU 20 HG LEU 20 8.608 3.635 -3.087
151 HD11 LEU 20 HD11 LEU 20 6.367 4.791 -3.353
152 HD12 LEU 20 HD12 LEU 20 7.766 5.858 -3.462
153 HD13 LEU 20 HD13 LEU 20 6.810 5.808 -1.982
154 HD21 LEU 20 HD21 LEU 20 8.641 4.803 -0.310
155 HD22 LEU 20 HD22 LEU 20 9.429 5.659 -1.636
156 HD23 LEU 20 HD23 LEU 20 9.952 4.031 -1.204
157 H ARG 21 H ARG 21 6.839 1.049 0.702
158 HA ARG 21 HA ARG 21 8.808 1.797 2.628
159 HB2 ARG 21 HB2 ARG 21 6.335 1.142 2.895
160 HB3 ARG 21 HB3 ARG 21 6.882 -0.534 2.835
161 HG2 ARG 21 HG2 ARG 21 8.569 0.226 4.693
162 HG3 ARG 21 HG3 ARG 21 7.439 1.561 4.921
163 HD2 ARG 21 HD2 ARG 21 6.521 -0.001 6.391
164 HD3 ARG 21 HD3 ARG 21 5.651 -0.439 4.907
165 HE ARG 21 HE ARG 21 8.245 -1.777 5.568
166 HH11 ARG 21 HH21 ARG 21 5.126 -2.348 6.416
167 HH12 ARG 21 HH22 ARG 21 4.928 -3.829 5.541
168 HH21 ARG 21 HH11 ARG 21 7.892 -3.477 3.753
169 HH22 ARG 21 HH12 ARG 21 6.501 -4.471 4.030
170 H ARG 22 H ARG 22 8.287 -1.262 0.871
171 HA ARG 22 HA ARG 22 10.258 -2.872 2.179
172 HB2 ARG 22 HB2 ARG 22 8.368 -3.243 0.302
173 HB3 ARG 22 HB3 ARG 22 9.758 -3.089 -0.765
174 HG2 ARG 22 HG2 ARG 22 10.200 -4.844 1.572
175 HG3 ARG 22 HG3 ARG 22 8.996 -5.433 0.426
176 HD2 ARG 22 HD2 ARG 22 11.683 -4.418 -0.529
177 HD3 ARG 22 HD3 ARG 22 11.454 -6.105 -0.029
178 HE ARG 22 HE ARG 22 9.583 -4.918 -2.032
179 HH11 ARG 22 HH11 ARG 22 9.354 -7.794 -1.433
180 HH12 ARG 22 HH12 ARG 22 10.310 -8.530 -2.675
181 HH21 ARG 22 HH21 ARG 22 11.969 -5.589 -3.502
182 HH22 ARG 22 HH22 ARG 22 11.798 -7.276 -3.852
183 H LEU 23 H LEU 23 10.448 -0.911 -0.800
184 HA LEU 23 HA LEU 23 13.196 -1.308 -1.417
185 HB2 LEU 23 HB2 LEU 23 11.366 -0.220 -2.795
186 HB3 LEU 23 HB3 LEU 23 11.548 1.216 -1.788
187 HG LEU 23 HG LEU 23 14.056 1.100 -2.411
188 HD11 LEU 23 HD11 LEU 23 14.157 -1.104 -3.369
189 HD12 LEU 23 HD12 LEU 23 14.383 0.038 -4.694
190 HD13 LEU 23 HD13 LEU 23 12.823 -0.752 -4.466
191 HD21 LEU 23 HD21 LEU 23 12.423 2.785 -3.272
192 HD22 LEU 23 HD22 LEU 23 12.038 1.692 -4.600
193 HD23 LEU 23 HD23 LEU 23 13.658 2.373 -4.461
194 H HIS 24 H HIS 24 11.633 1.119 0.693
195 HA HIS 24 HA HIS 24 13.924 2.679 1.352
196 HB2 HIS 24 HB2 HIS 24 11.277 2.006 2.595
197 HB3 HIS 24 HB3 HIS 24 12.456 2.878 3.572
198 HD1 HIS 24 HD1 HIS 24 10.380 4.739 3.235
199 HD2 HIS 24 HD2 HIS 24 12.913 4.036 -0.003
200 HE1 HIS 24 HE1 HIS 24 10.119 6.717 1.677
201 H GLN 25 H GLN 25 12.632 -0.301 2.842
202 HA GLN 25 HA GLN 25 14.522 -0.465 5.005
203 HB2 GLN 25 HB2 GLN 25 12.276 -1.671 4.601
204 HB3 GLN 25 HB3 GLN 25 13.192 -2.780 3.580
205 HG2 GLN 25 HG2 GLN 25 14.746 -3.163 5.535
206 HG3 GLN 25 HG3 GLN 25 13.627 -2.229 6.528
207 HE21 GLN 25 HE21 GLN 25 11.414 -3.134 6.826
208 HE22 GLN 25 HE22 GLN 25 11.140 -4.792 6.602
209 H TRP 26 H TRP 26 14.575 -1.685 1.652
210 HA TRP 26 HA TRP 26 16.934 -3.304 1.868
211 HB2 TRP 26 HB2 TRP 26 15.245 -3.302 0.017
212 HB3 TRP 26 HB3 TRP 26 15.856 -1.729 -0.496
213 HD1 TRP 26 HD1 TRP 26 17.325 -2.049 -2.539
214 HE1 TRP 26 HE1 TRP 26 19.168 -3.704 -3.253
215 HE3 TRP 26 HE3 TRP 26 17.233 -5.249 1.442
216 HZ2 TRP 26 HZ2 TRP 26 20.437 -6.071 -2.267
217 HZ3 TRP 26 HZ3 TRP 26 18.767 -7.191 1.529
218 HH2 TRP 26 HH2 TRP 26 20.369 -7.606 -0.319
219 H ILE 27 H ILE 27 16.460 0.174 1.432
220 HA ILE 27 HA ILE 27 19.252 0.718 0.730
221 HB ILE 27 HB ILE 27 16.926 2.469 1.604
222 HG12 ILE 27 HG12 ILE 27 18.019 2.331 -1.186
223 HG13 ILE 27 HG13 ILE 27 16.967 1.029 -0.633
224 HG21 ILE 27 HG21 ILE 27 18.263 4.308 0.562
225 HG22 ILE 27 HG22 ILE 27 19.611 3.185 0.383
226 HG23 ILE 27 HG23 ILE 27 19.038 3.627 1.992
227 HD11 ILE 27 HD11 ILE 27 15.651 2.805 -1.718
228 HD12 ILE 27 HD12 ILE 27 16.295 3.986 -0.576
229 HD13 ILE 27 HD13 ILE 27 15.247 2.687 -0.005
230 H SER 28 H SER 28 17.265 0.796 3.690
231 HA SER 28 HA SER 28 19.349 2.045 5.319
232 HB2 SER 28 HB2 SER 28 17.722 1.337 7.158
233 HB3 SER 28 HB3 SER 28 17.047 2.376 5.909
234 HG SER 28 HG SER 28 16.940 -0.444 5.696
Start of MODEL 12
1 H1 SER 1 H1 SER 1 -22.322 -0.389 -1.680
2 H2 SER 1 H2 SER 1 -23.083 -1.550 -0.700
3 H3 SER 1 H3 SER 1 -21.402 -1.605 -0.937
4 HA SER 1 HA SER 1 -22.934 0.450 0.575
5 HB2 SER 1 HB2 SER 1 -20.886 -0.635 2.108
6 HB3 SER 1 HB3 SER 1 -22.576 -1.116 2.180
7 HG SER 1 HG SER 1 -21.016 -2.844 1.793
8 H ASP 2 H ASP 2 -22.037 2.451 0.448
9 HA ASP 2 HA ASP 2 -19.682 3.102 -1.020
10 HB2 ASP 2 HB2 ASP 2 -21.283 4.528 1.125
11 HB3 ASP 2 HB3 ASP 2 -19.993 5.314 0.214
12 H ALA 3 H ALA 3 -20.170 2.881 2.535
13 HA ALA 3 HA ALA 3 -17.528 3.554 3.346
14 HB1 ALA 3 HB1 ALA 3 -19.395 3.422 4.887
15 HB2 ALA 3 HB2 ALA 3 -18.198 2.232 5.397
16 HB3 ALA 3 HB3 ALA 3 -19.637 1.714 4.519
17 H ALA 4 H ALA 4 -18.936 0.357 2.547
18 HA ALA 4 HA ALA 4 -16.624 -1.228 3.127
19 HB1 ALA 4 HB1 ALA 4 -18.977 -2.010 2.756
20 HB2 ALA 4 HB2 ALA 4 -17.802 -2.903 1.791
21 HB3 ALA 4 HB3 ALA 4 -18.788 -1.650 1.040
22 H ALA 5 H ALA 5 -17.669 0.418 0.127
23 HA ALA 5 HA ALA 5 -15.611 -0.589 -1.592
24 HB1 ALA 5 HB1 ALA 5 -16.181 1.595 -2.840
25 HB2 ALA 5 HB2 ALA 5 -17.294 1.928 -1.514
26 HB3 ALA 5 HB3 ALA 5 -17.528 0.501 -2.523
27 H ARG 6 H ARG 6 -15.720 2.280 0.538
28 HA ARG 6 HA ARG 6 -13.186 3.381 -0.206
29 HB2 ARG 6 HB2 ARG 6 -15.273 3.783 1.732
30 HB3 ARG 6 HB3 ARG 6 -13.719 3.828 2.565
31 HG2 ARG 6 HG2 ARG 6 -13.670 5.997 1.883
32 HG3 ARG 6 HG3 ARG 6 -13.161 5.317 0.337
33 HD2 ARG 6 HD2 ARG 6 -15.680 5.123 -0.214
34 HD3 ARG 6 HD3 ARG 6 -15.930 6.221 1.157
35 HE ARG 6 HE ARG 6 -14.292 6.877 -1.261
36 HH11 ARG 6 HH11 ARG 6 -13.581 8.281 1.353
37 HH12 ARG 6 HH12 ARG 6 -14.499 9.743 1.211
38 HH21 ARG 6 HH21 ARG 6 -16.518 8.537 -1.348
39 HH22 ARG 6 HH22 ARG 6 -16.167 9.887 -0.323
40 H VAL 7 H VAL 7 -14.111 0.896 2.110
41 HA VAL 7 HA VAL 7 -11.557 0.543 3.386
42 HB VAL 7 HB VAL 7 -13.865 -1.366 2.839
43 HG11 VAL 7 HG11 VAL 7 -12.948 -2.642 4.778
44 HG12 VAL 7 HG12 VAL 7 -11.542 -1.577 4.780
45 HG13 VAL 7 HG13 VAL 7 -11.848 -2.629 3.399
46 HG21 VAL 7 HG21 VAL 7 -13.815 0.926 4.389
47 HG22 VAL 7 HG22 VAL 7 -13.430 -0.336 5.559
48 HG23 VAL 7 HG23 VAL 7 -14.919 -0.430 4.619
49 H THR 8 H THR 8 -13.042 -0.870 0.460
50 HA THR 8 HA THR 8 -10.929 -2.715 -0.160
51 HB THR 8 HB THR 8 -12.837 -1.268 -2.022
52 HG1 THR 8 HG1 THR 8 -14.341 -2.344 -1.062
53 HG21 THR 8 HG21 THR 8 -12.669 -3.401 -3.316
54 HG22 THR 8 HG22 THR 8 -11.426 -3.945 -2.189
55 HG23 THR 8 HG23 THR 8 -11.136 -2.537 -3.210
56 H ALA 9 H ALA 9 -11.486 0.679 -0.962
57 HA ALA 9 HA ALA 9 -9.322 0.986 -2.830
58 HB1 ALA 9 HB1 ALA 9 -11.371 2.482 -2.315
59 HB2 ALA 9 HB2 ALA 9 -9.845 3.301 -2.648
60 HB3 ALA 9 HB3 ALA 9 -10.403 3.119 -0.985
61 H ILE 10 H ILE 10 -9.545 1.433 0.671
62 HA ILE 10 HA ILE 10 -6.932 2.489 1.143
63 HB ILE 10 HB ILE 10 -8.811 0.739 2.767
64 HG12 ILE 10 HG12 ILE 10 -9.589 3.032 2.167
65 HG13 ILE 10 HG13 ILE 10 -9.354 2.840 3.902
66 HG21 ILE 10 HG21 ILE 10 -7.366 1.789 4.704
67 HG22 ILE 10 HG22 ILE 10 -6.127 1.906 3.453
68 HG23 ILE 10 HG23 ILE 10 -6.802 0.335 3.882
69 HD11 ILE 10 HD11 ILE 10 -6.886 3.702 2.661
70 HD12 ILE 10 HD12 ILE 10 -7.824 4.491 3.929
71 HD13 ILE 10 HD13 ILE 10 -8.198 4.802 2.234
72 H LEU 11 H LEU 11 -8.121 -0.855 0.853
73 HA LEU 11 HA LEU 11 -5.667 -2.198 1.481
74 HB2 LEU 11 HB2 LEU 11 -8.102 -2.907 -0.171
75 HB3 LEU 11 HB3 LEU 11 -6.825 -4.068 0.192
76 HG LEU 11 HG LEU 11 -8.138 -2.513 2.413
77 HD11 LEU 11 HD11 LEU 11 -9.910 -4.043 2.592
78 HD12 LEU 11 HD12 LEU 11 -9.118 -5.229 1.555
79 HD13 LEU 11 HD13 LEU 11 -9.811 -3.768 0.854
80 HD21 LEU 11 HD21 LEU 11 -6.084 -3.811 2.874
81 HD22 LEU 11 HD22 LEU 11 -6.854 -5.260 2.226
82 HD23 LEU 11 HD23 LEU 11 -7.472 -4.517 3.701
83 H SER 12 H SER 12 -7.031 -1.005 -1.560
84 HA SER 12 HA SER 12 -5.120 -2.101 -3.377
85 HB2 SER 12 HB2 SER 12 -7.339 -0.903 -3.817
86 HB3 SER 12 HB3 SER 12 -6.471 0.609 -3.562
87 HG SER 12 HG SER 12 -6.590 -0.123 -5.789
88 H SER 13 H SER 13 -5.122 1.000 -1.596
89 HA SER 13 HA SER 13 -2.591 1.932 -2.650
90 HB2 SER 13 HB2 SER 13 -4.501 2.632 -0.452
91 HB3 SER 13 HB3 SER 13 -2.885 3.330 -0.391
92 HG SER 13 HG SER 13 -4.740 4.375 -1.674
93 H LEU 14 H LEU 14 -3.533 0.059 0.232
94 HA LEU 14 HA LEU 14 -1.077 0.134 1.668
95 HB2 LEU 14 HB2 LEU 14 -3.442 -1.690 1.425
96 HB3 LEU 14 HB3 LEU 14 -2.034 -2.284 2.305
97 HG LEU 14 HG LEU 14 -3.186 0.441 2.893
98 HD11 LEU 14 HD11 LEU 14 -4.996 -1.279 3.090
99 HD12 LEU 14 HD12 LEU 14 -4.566 -0.552 4.638
100 HD13 LEU 14 HD13 LEU 14 -3.981 -2.165 4.228
101 HD21 LEU 14 HD21 LEU 14 -2.000 0.212 4.947
102 HD22 LEU 14 HD22 LEU 14 -0.893 -0.396 3.716
103 HD23 LEU 14 HD23 LEU 14 -1.797 -1.525 4.726
104 H THR 15 H THR 15 -2.157 -2.069 -0.935
105 HA THR 15 HA THR 15 0.177 -3.770 -0.887
106 HB THR 15 HB THR 15 -1.701 -3.139 -3.189
107 HG1 THR 15 HG1 THR 15 -1.981 -4.850 -0.947
108 HG21 THR 15 HG21 THR 15 -1.104 -5.244 -4.059
109 HG22 THR 15 HG22 THR 15 -0.429 -5.788 -2.523
110 HG23 THR 15 HG23 THR 15 0.429 -4.586 -3.487
111 H VAL 16 H VAL 16 -0.700 -0.906 -2.850
112 HA VAL 16 HA VAL 16 1.702 -0.923 -4.465
113 HB VAL 16 HB VAL 16 -0.355 1.187 -3.730
114 HG11 VAL 16 HG11 VAL 16 1.989 1.281 -5.638
115 HG12 VAL 16 HG12 VAL 16 1.540 2.454 -4.399
116 HG13 VAL 16 HG13 VAL 16 0.570 2.304 -5.864
117 HG21 VAL 16 HG21 VAL 16 0.047 -0.707 -6.053
118 HG22 VAL 16 HG22 VAL 16 -0.969 0.727 -6.194
119 HG23 VAL 16 HG23 VAL 16 -1.373 -0.528 -5.024
120 H THR 17 H THR 17 0.749 0.873 -1.515
121 HA THR 17 HA THR 17 3.137 2.427 -1.239
122 HB THR 17 HB THR 17 1.040 1.385 0.682
123 HG1 THR 17 HG1 THR 17 1.600 3.964 -0.363
124 HG21 THR 17 HG21 THR 17 3.409 3.189 1.209
125 HG22 THR 17 HG22 THR 17 2.932 1.736 2.087
126 HG23 THR 17 HG23 THR 17 1.967 3.205 2.225
127 H GLN 18 H GLN 18 2.315 -0.862 -0.125
128 HA GLN 18 HA GLN 18 4.492 -1.347 1.607
129 HB2 GLN 18 HB2 GLN 18 2.663 -2.931 -0.122
130 HB3 GLN 18 HB3 GLN 18 4.108 -3.761 0.452
131 HG2 GLN 18 HG2 GLN 18 2.119 -2.301 2.219
132 HG3 GLN 18 HG3 GLN 18 2.201 -4.051 2.015
133 HE21 GLN 18 HE21 GLN 18 4.225 -5.141 2.798
134 HE22 GLN 18 HE22 GLN 18 5.152 -4.403 4.014
135 H LEU 19 H LEU 19 4.333 -1.608 -1.911
136 HA LEU 19 HA LEU 19 6.907 -2.733 -2.400
137 HB2 LEU 19 HB2 LEU 19 4.736 -1.557 -3.844
138 HB3 LEU 19 HB3 LEU 19 6.213 -0.765 -4.389
139 HG LEU 19 HG LEU 19 5.655 -2.823 -5.705
140 HD11 LEU 19 HD11 LEU 19 8.194 -2.797 -4.055
141 HD12 LEU 19 HD12 LEU 19 7.958 -2.145 -5.676
142 HD13 LEU 19 HD13 LEU 19 7.942 -3.889 -5.417
143 HD21 LEU 19 HD21 LEU 19 4.848 -3.940 -3.423
144 HD22 LEU 19 HD22 LEU 19 6.521 -4.494 -3.375
145 HD23 LEU 19 HD23 LEU 19 5.489 -4.923 -4.739
146 H LEU 20 H LEU 20 5.874 0.662 -1.975
147 HA LEU 20 HA LEU 20 8.483 1.842 -2.379
148 HB2 LEU 20 HB2 LEU 20 6.155 2.922 -2.439
149 HB3 LEU 20 HB3 LEU 20 6.205 2.892 -0.676
150 HG LEU 20 HG LEU 20 8.557 4.039 -1.022
151 HD11 LEU 20 HD11 LEU 20 8.631 5.467 -3.008
152 HD12 LEU 20 HD12 LEU 20 7.079 4.831 -3.551
153 HD13 LEU 20 HD13 LEU 20 8.493 3.778 -3.500
154 HD21 LEU 20 HD21 LEU 20 6.657 5.091 0.117
155 HD22 LEU 20 HD22 LEU 20 5.914 5.476 -1.435
156 HD23 LEU 20 HD23 LEU 20 7.424 6.255 -0.962
157 H ARG 21 H ARG 21 6.706 0.673 0.489
158 HA ARG 21 HA ARG 21 8.466 1.550 2.542
159 HB2 ARG 21 HB2 ARG 21 6.129 0.346 2.519
160 HB3 ARG 21 HB3 ARG 21 7.089 -1.133 2.555
161 HG2 ARG 21 HG2 ARG 21 7.153 -0.869 4.799
162 HG3 ARG 21 HG3 ARG 21 8.288 0.448 4.500
163 HD2 ARG 21 HD2 ARG 21 6.477 2.079 4.479
164 HD3 ARG 21 HD3 ARG 21 5.266 0.787 4.604
165 HE ARG 21 HE ARG 21 7.169 1.573 6.759
166 HH11 ARG 21 HH11 ARG 21 4.247 1.749 7.222
167 HH12 ARG 21 HH12 ARG 21 3.900 0.269 8.052
168 HH21 ARG 21 HH21 ARG 21 6.879 -1.258 7.116
169 HH22 ARG 21 HH22 ARG 21 5.395 -1.442 7.989
170 H ARG 22 H ARG 22 8.575 -1.377 0.499
171 HA ARG 22 HA ARG 22 10.764 -2.703 1.775
172 HB2 ARG 22 HB2 ARG 22 9.416 -2.687 -0.898
173 HB3 ARG 22 HB3 ARG 22 10.977 -3.498 -0.782
174 HG2 ARG 22 HG2 ARG 22 9.918 -4.603 1.364
175 HG3 ARG 22 HG3 ARG 22 8.392 -4.162 0.597
176 HD2 ARG 22 HD2 ARG 22 9.173 -5.347 -1.491
177 HD3 ARG 22 HD3 ARG 22 10.575 -5.925 -0.570
178 HE ARG 22 HE ARG 22 8.931 -6.986 1.019
179 HH11 ARG 22 HH21 ARG 22 6.419 -5.707 0.113
180 HH12 ARG 22 HH22 ARG 22 5.727 -6.908 -0.927
181 HH21 ARG 22 HH11 ARG 22 8.697 -8.677 -1.293
182 HH22 ARG 22 HH12 ARG 22 7.022 -8.595 -1.727
183 H LEU 23 H LEU 23 10.686 -0.377 -0.945
184 HA LEU 23 HA LEU 23 13.515 -0.284 -1.425
185 HB2 LEU 23 HB2 LEU 23 11.874 0.538 -3.021
186 HB3 LEU 23 HB3 LEU 23 11.251 1.697 -1.849
187 HG LEU 23 HG LEU 23 13.455 2.842 -1.831
188 HD11 LEU 23 HD11 LEU 23 15.091 1.299 -2.410
189 HD12 LEU 23 HD12 LEU 23 14.889 2.137 -3.948
190 HD13 LEU 23 HD13 LEU 23 14.107 0.578 -3.685
191 HD21 LEU 23 HD21 LEU 23 11.764 3.698 -3.341
192 HD22 LEU 23 HD22 LEU 23 12.139 2.457 -4.537
193 HD23 LEU 23 HD23 LEU 23 13.311 3.727 -4.186
194 H HIS 24 H HIS 24 11.388 1.568 0.760
195 HA HIS 24 HA HIS 24 13.234 3.537 1.661
196 HB2 HIS 24 HB2 HIS 24 10.815 2.137 2.782
197 HB3 HIS 24 HB3 HIS 24 11.710 3.266 3.797
198 HD1 HIS 24 HD1 HIS 24 9.948 5.132 3.780
199 HD2 HIS 24 HD2 HIS 24 11.134 3.980 -0.048
200 HE1 HIS 24 HE1 HIS 24 8.972 6.837 2.182
201 H GLN 25 H GLN 25 12.616 0.223 2.859
202 HA GLN 25 HA GLN 25 14.436 0.287 5.078
203 HB2 GLN 25 HB2 GLN 25 12.560 -1.383 4.384
204 HB3 GLN 25 HB3 GLN 25 13.806 -2.144 3.395
205 HG2 GLN 25 HG2 GLN 25 14.656 -3.178 5.204
206 HG3 GLN 25 HG3 GLN 25 14.884 -1.626 6.010
207 HE21 GLN 25 HE21 GLN 25 13.455 -1.116 7.727
208 HE22 GLN 25 HE22 GLN 25 12.114 -2.066 8.152
209 H TRP 26 H TRP 26 14.880 -0.467 1.630
210 HA TRP 26 HA TRP 26 17.561 -1.496 1.803
211 HB2 TRP 26 HB2 TRP 26 15.579 -0.794 -0.172
212 HB3 TRP 26 HB3 TRP 26 17.139 -0.140 -0.668
213 HD1 TRP 26 HD1 TRP 26 18.979 -1.801 -1.436
214 HE1 TRP 26 HE1 TRP 26 19.040 -4.352 -1.808
215 HE3 TRP 26 HE3 TRP 26 14.572 -3.121 0.781
216 HZ2 TRP 26 HZ2 TRP 26 17.432 -6.650 -1.239
217 HZ3 TRP 26 HZ3 TRP 26 13.861 -5.495 0.851
218 HH2 TRP 26 HH2 TRP 26 15.283 -7.258 -0.154
219 H ILE 27 H ILE 27 16.240 1.791 1.597
220 HA ILE 27 HA ILE 27 18.838 3.063 1.131
221 HB ILE 27 HB ILE 27 16.114 4.108 1.989
222 HG12 ILE 27 HG12 ILE 27 17.337 4.455 -0.733
223 HG13 ILE 27 HG13 ILE 27 16.565 2.920 -0.334
224 HG21 ILE 27 HG21 ILE 27 16.998 6.300 1.166
225 HG22 ILE 27 HG22 ILE 27 18.588 5.556 0.996
226 HG23 ILE 27 HG23 ILE 27 17.851 5.708 2.591
227 HD11 ILE 27 HD11 ILE 27 14.507 4.149 0.317
228 HD12 ILE 27 HD12 ILE 27 14.935 4.425 -1.371
229 HD13 ILE 27 HD13 ILE 27 15.278 5.661 -0.160
230 H SER 28 H SER 28 16.600 2.809 3.931
231 HA SER 28 HA SER 28 18.931 3.436 5.720
232 HB2 SER 28 HB2 SER 28 17.098 4.454 7.197
233 HB3 SER 28 HB3 SER 28 17.458 5.323 5.710
234 HG SER 28 HG SER 28 15.439 3.338 5.848
Start of MODEL 13
1 H1 SER 1 H1 SER 1 -19.053 0.261 -6.865
2 H2 SER 1 H2 SER 1 -20.707 0.505 -6.557
3 H3 SER 1 H3 SER 1 -19.709 -0.182 -5.365
4 HA SER 1 HA SER 1 -18.393 1.982 -5.427
5 HB2 SER 1 HB2 SER 1 -19.994 3.841 -6.285
6 HB3 SER 1 HB3 SER 1 -19.154 2.868 -7.488
7 HG SER 1 HG SER 1 -21.783 3.152 -7.085
8 H ASP 2 H ASP 2 -18.681 1.582 -3.191
9 HA ASP 2 HA ASP 2 -20.925 2.973 -1.910
10 HB2 ASP 2 HB2 ASP 2 -21.555 0.825 -0.665
11 HB3 ASP 2 HB3 ASP 2 -22.007 0.877 -2.367
12 H ALA 3 H ALA 3 -20.703 2.338 0.636
13 HA ALA 3 HA ALA 3 -18.241 3.393 1.572
14 HB1 ALA 3 HB1 ALA 3 -20.448 3.281 2.758
15 HB2 ALA 3 HB2 ALA 3 -19.101 2.735 3.756
16 HB3 ALA 3 HB3 ALA 3 -20.180 1.555 3.010
17 H ALA 4 H ALA 4 -19.317 -0.034 1.455
18 HA ALA 4 HA ALA 4 -16.994 -1.204 2.621
19 HB1 ALA 4 HB1 ALA 4 -17.934 -3.223 1.843
20 HB2 ALA 4 HB2 ALA 4 -18.584 -2.466 0.390
21 HB3 ALA 4 HB3 ALA 4 -19.334 -2.157 1.956
22 H ALA 5 H ALA 5 -17.724 -0.386 -0.786
23 HA ALA 5 HA ALA 5 -15.366 -1.516 -1.957
24 HB1 ALA 5 HB1 ALA 5 -17.579 -0.507 -2.957
25 HB2 ALA 5 HB2 ALA 5 -16.080 -0.349 -3.873
26 HB3 ALA 5 HB3 ALA 5 -16.684 1.014 -2.930
27 H ARG 6 H ARG 6 -15.993 1.675 -0.485
28 HA ARG 6 HA ARG 6 -13.488 2.891 -1.174
29 HB2 ARG 6 HB2 ARG 6 -15.806 3.678 0.007
30 HB3 ARG 6 HB3 ARG 6 -14.777 3.530 1.431
31 HG2 ARG 6 HG2 ARG 6 -13.626 4.941 -0.934
32 HG3 ARG 6 HG3 ARG 6 -14.878 5.786 -0.025
33 HD2 ARG 6 HD2 ARG 6 -12.464 4.525 1.317
34 HD3 ARG 6 HD3 ARG 6 -12.502 6.219 0.791
35 HE ARG 6 HE ARG 6 -14.835 6.029 2.205
36 HH11 ARG 6 HH21 ARG 6 -12.584 7.521 3.408
37 HH12 ARG 6 HH22 ARG 6 -12.277 6.649 4.872
38 HH21 ARG 6 HH11 ARG 6 -14.028 3.820 3.861
39 HH22 ARG 6 HH12 ARG 6 -13.099 4.546 5.130
40 H VAL 7 H VAL 7 -14.493 0.795 1.460
41 HA VAL 7 HA VAL 7 -12.115 0.984 3.074
42 HB VAL 7 HB VAL 7 -14.147 -1.249 2.681
43 HG11 VAL 7 HG11 VAL 7 -11.987 -0.789 4.740
44 HG12 VAL 7 HG12 VAL 7 -12.309 -2.244 3.796
45 HG13 VAL 7 HG13 VAL 7 -13.405 -1.775 5.097
46 HG21 VAL 7 HG21 VAL 7 -15.548 -0.093 4.043
47 HG22 VAL 7 HG22 VAL 7 -14.549 1.309 3.661
48 HG23 VAL 7 HG23 VAL 7 -14.240 0.379 5.127
49 H THR 8 H THR 8 -13.098 -1.123 0.368
50 HA THR 8 HA THR 8 -10.758 -2.804 0.377
51 HB THR 8 HB THR 8 -12.560 -2.042 -1.939
52 HG1 THR 8 HG1 THR 8 -14.081 -3.067 -0.943
53 HG21 THR 8 HG21 THR 8 -12.056 -4.339 -2.702
54 HG22 THR 8 HG22 THR 8 -10.997 -4.563 -1.308
55 HG23 THR 8 HG23 THR 8 -10.586 -3.376 -2.547
56 H ALA 9 H ALA 9 -11.561 0.257 -1.183
57 HA ALA 9 HA ALA 9 -9.292 0.437 -2.926
58 HB1 ALA 9 HB1 ALA 9 -10.679 2.764 -1.598
59 HB2 ALA 9 HB2 ALA 9 -11.504 1.788 -2.813
60 HB3 ALA 9 HB3 ALA 9 -10.037 2.671 -3.237
61 H ILE 10 H ILE 10 -9.813 1.519 0.402
62 HA ILE 10 HA ILE 10 -7.343 2.899 0.805
63 HB ILE 10 HB ILE 10 -9.166 1.307 2.642
64 HG12 ILE 10 HG12 ILE 10 -8.845 4.296 2.604
65 HG13 ILE 10 HG13 ILE 10 -9.833 3.522 1.365
66 HG21 ILE 10 HG21 ILE 10 -6.623 2.776 3.177
67 HG22 ILE 10 HG22 ILE 10 -7.312 1.382 4.009
68 HG23 ILE 10 HG23 ILE 10 -7.939 2.998 4.330
69 HD11 ILE 10 HD11 ILE 10 -10.289 3.709 4.312
70 HD12 ILE 10 HD12 ILE 10 -10.844 2.254 3.483
71 HD13 ILE 10 HD13 ILE 10 -11.446 3.834 2.987
72 H LEU 11 H LEU 11 -8.214 -0.539 1.116
73 HA LEU 11 HA LEU 11 -5.689 -1.467 2.124
74 HB2 LEU 11 HB2 LEU 11 -7.943 -2.755 0.565
75 HB3 LEU 11 HB3 LEU 11 -6.597 -3.670 1.243
76 HG LEU 11 HG LEU 11 -8.193 -1.808 2.990
77 HD11 LEU 11 HD11 LEU 11 -8.891 -4.644 2.184
78 HD12 LEU 11 HD12 LEU 11 -9.896 -3.203 2.017
79 HD13 LEU 11 HD13 LEU 11 -9.547 -3.856 3.618
80 HD21 LEU 11 HD21 LEU 11 -6.064 -2.765 3.820
81 HD22 LEU 11 HD22 LEU 11 -6.673 -4.389 3.496
82 HD23 LEU 11 HD23 LEU 11 -7.441 -3.388 4.729
83 H SER 12 H SER 12 -6.976 -1.044 -1.144
84 HA SER 12 HA SER 12 -4.891 -2.312 -2.623
85 HB2 SER 12 HB2 SER 12 -7.199 -1.379 -3.333
86 HB3 SER 12 HB3 SER 12 -6.383 0.176 -3.479
87 HG SER 12 HG SER 12 -6.386 -1.011 -5.449
88 H SER 13 H SER 13 -5.225 1.107 -1.580
89 HA SER 13 HA SER 13 -2.702 1.955 -2.728
90 HB2 SER 13 HB2 SER 13 -3.134 3.959 -1.261
91 HB3 SER 13 HB3 SER 13 -4.502 3.523 -2.279
92 HG SER 13 HG SER 13 -5.613 3.147 -0.539
93 H LEU 14 H LEU 14 -3.668 0.706 0.464
94 HA LEU 14 HA LEU 14 -1.290 1.296 1.926
95 HB2 LEU 14 HB2 LEU 14 -3.544 -0.662 2.046
96 HB3 LEU 14 HB3 LEU 14 -2.132 -1.003 3.046
97 HG LEU 14 HG LEU 14 -3.468 1.709 3.038
98 HD11 LEU 14 HD11 LEU 14 -4.158 -0.795 4.562
99 HD12 LEU 14 HD12 LEU 14 -5.239 0.367 3.793
100 HD13 LEU 14 HD13 LEU 14 -4.415 0.789 5.293
101 HD21 LEU 14 HD21 LEU 14 -1.148 1.487 3.937
102 HD22 LEU 14 HD22 LEU 14 -1.731 0.272 5.074
103 HD23 LEU 14 HD23 LEU 14 -2.311 1.934 5.185
104 H THR 15 H THR 15 -2.149 -1.589 -0.018
105 HA THR 15 HA THR 15 0.248 -3.082 0.407
106 HB THR 15 HB THR 15 -1.598 -2.931 -2.006
107 HG1 THR 15 HG1 THR 15 -2.968 -3.865 -0.744
108 HG21 THR 15 HG21 THR 15 0.423 -4.164 -2.547
109 HG22 THR 15 HG22 THR 15 -0.890 -5.316 -2.311
110 HG23 THR 15 HG23 THR 15 0.312 -5.078 -1.042
111 H VAL 16 H VAL 16 -0.580 -0.602 -2.025
112 HA VAL 16 HA VAL 16 1.811 -0.781 -3.599
113 HB VAL 16 HB VAL 16 -0.102 1.504 -2.992
114 HG11 VAL 16 HG11 VAL 16 2.089 1.214 -5.060
115 HG12 VAL 16 HG12 VAL 16 1.865 2.518 -3.894
116 HG13 VAL 16 HG13 VAL 16 0.753 2.349 -5.252
117 HG21 VAL 16 HG21 VAL 16 -0.105 0.140 -5.618
118 HG22 VAL 16 HG22 VAL 16 -1.462 0.640 -4.609
119 HG23 VAL 16 HG23 VAL 16 -0.616 -0.868 -4.263
120 H THR 17 H THR 17 0.994 1.204 -0.725
121 HA THR 17 HA THR 17 3.437 2.706 -0.614
122 HB THR 17 HB THR 17 1.713 1.786 1.710
123 HG1 THR 17 HG1 THR 17 0.181 2.975 0.934
124 HG21 THR 17 HG21 THR 17 3.960 3.162 1.906
125 HG22 THR 17 HG22 THR 17 2.553 3.616 2.867
126 HG23 THR 17 HG23 THR 17 2.938 4.504 1.392
127 H GLN 18 H GLN 18 2.515 -0.458 0.765
128 HA GLN 18 HA GLN 18 4.838 -0.914 2.345
129 HB2 GLN 18 HB2 GLN 18 2.524 -2.333 1.373
130 HB3 GLN 18 HB3 GLN 18 3.944 -3.368 1.225
131 HG2 GLN 18 HG2 GLN 18 3.368 -1.834 3.763
132 HG3 GLN 18 HG3 GLN 18 2.675 -3.430 3.471
133 HE21 GLN 18 HE21 GLN 18 4.059 -5.261 3.700
134 HE22 GLN 18 HE22 GLN 18 5.698 -5.143 4.124
135 H LEU 19 H LEU 19 4.200 -1.572 -1.073
136 HA LEU 19 HA LEU 19 6.619 -2.962 -1.698
137 HB2 LEU 19 HB2 LEU 19 4.349 -2.191 -3.018
138 HB3 LEU 19 HB3 LEU 19 5.512 -1.050 -3.691
139 HG LEU 19 HG LEU 19 5.413 -3.089 -5.063
140 HD11 LEU 19 HD11 LEU 19 8.004 -3.094 -3.498
141 HD12 LEU 19 HD12 LEU 19 7.595 -1.838 -4.666
142 HD13 LEU 19 HD13 LEU 19 7.768 -3.512 -5.194
143 HD21 LEU 19 HD21 LEU 19 4.767 -4.542 -3.044
144 HD22 LEU 19 HD22 LEU 19 6.491 -4.598 -2.673
145 HD23 LEU 19 HD23 LEU 19 5.895 -5.255 -4.196
146 H LEU 20 H LEU 20 5.812 0.519 -1.792
147 HA LEU 20 HA LEU 20 8.428 1.446 -2.588
148 HB2 LEU 20 HB2 LEU 20 5.886 2.544 -1.478
149 HB3 LEU 20 HB3 LEU 20 7.325 3.540 -1.261
150 HG LEU 20 HG LEU 20 7.693 2.931 -3.831
151 HD11 LEU 20 HD11 LEU 20 4.680 2.819 -3.470
152 HD12 LEU 20 HD12 LEU 20 5.705 1.465 -3.946
153 HD13 LEU 20 HD13 LEU 20 5.530 2.856 -5.016
154 HD21 LEU 20 HD21 LEU 20 5.749 5.013 -2.782
155 HD22 LEU 20 HD22 LEU 20 6.478 5.042 -4.387
156 HD23 LEU 20 HD23 LEU 20 7.494 5.206 -2.955
157 H ARG 21 H ARG 21 6.873 0.865 0.566
158 HA ARG 21 HA ARG 21 8.816 2.006 2.297
159 HB2 ARG 21 HB2 ARG 21 6.467 0.954 2.693
160 HB3 ARG 21 HB3 ARG 21 7.332 -0.577 2.821
161 HG2 ARG 21 HG2 ARG 21 8.428 0.047 4.775
162 HG3 ARG 21 HG3 ARG 21 8.304 1.770 4.416
163 HD2 ARG 21 HD2 ARG 21 6.708 1.454 6.144
164 HD3 ARG 21 HD3 ARG 21 5.722 1.393 4.670
165 HE ARG 21 HE ARG 21 6.397 -1.221 4.916
166 HH11 ARG 21 HH11 ARG 21 3.669 -0.476 5.745
167 HH12 ARG 21 HH12 ARG 21 3.621 -0.942 7.411
168 HH21 ARG 21 HH21 ARG 21 7.079 -1.150 7.720
169 HH22 ARG 21 HH22 ARG 21 5.562 -1.325 8.536
170 H ARG 22 H ARG 22 8.601 -1.336 1.007
171 HA ARG 22 HA ARG 22 10.986 -2.343 2.240
172 HB2 ARG 22 HB2 ARG 22 9.073 -3.074 0.106
173 HB3 ARG 22 HB3 ARG 22 10.680 -3.771 -0.091
174 HG2 ARG 22 HG2 ARG 22 10.311 -4.213 2.558
175 HG3 ARG 22 HG3 ARG 22 8.639 -4.287 2.001
176 HD2 ARG 22 HD2 ARG 22 9.404 -6.525 1.768
177 HD3 ARG 22 HD3 ARG 22 9.577 -5.863 0.131
178 HE ARG 22 HE ARG 22 11.908 -5.595 1.954
179 HH11 ARG 22 HH11 ARG 22 11.555 -8.463 1.168
180 HH12 ARG 22 HH12 ARG 22 12.473 -8.559 -0.296
181 HH21 ARG 22 HH21 ARG 22 12.584 -5.115 -0.761
182 HH22 ARG 22 HH22 ARG 22 13.057 -6.656 -1.393
183 H LEU 23 H LEU 23 10.424 -0.791 -0.935
184 HA LEU 23 HA LEU 23 13.030 -1.085 -2.040
185 HB2 LEU 23 HB2 LEU 23 10.919 -0.269 -3.156
186 HB3 LEU 23 HB3 LEU 23 11.114 1.260 -2.297
187 HG LEU 23 HG LEU 23 13.565 0.429 -3.667
188 HD11 LEU 23 HD11 LEU 23 11.796 -0.506 -5.210
189 HD12 LEU 23 HD12 LEU 23 12.800 0.748 -5.936
190 HD13 LEU 23 HD13 LEU 23 11.169 1.133 -5.385
191 HD21 LEU 23 HD21 LEU 23 13.592 2.740 -4.314
192 HD22 LEU 23 HD22 LEU 23 12.949 2.696 -2.672
193 HD23 LEU 23 HD23 LEU 23 11.857 2.903 -4.041
194 H HIS 24 H HIS 24 11.677 1.516 0.015
195 HA HIS 24 HA HIS 24 14.057 3.128 0.137
196 HB2 HIS 24 HB2 HIS 24 11.495 2.803 1.668
197 HB3 HIS 24 HB3 HIS 24 12.771 3.787 2.382
198 HD1 HIS 24 HD1 HIS 24 13.329 6.028 1.259
199 HD2 HIS 24 HD2 HIS 24 10.418 3.854 -0.785
200 HE1 HIS 24 HE1 HIS 24 12.346 7.595 -0.473
201 H GLN 25 H GLN 25 12.833 0.476 2.197
202 HA GLN 25 HA GLN 25 14.757 0.614 4.294
203 HB2 GLN 25 HB2 GLN 25 13.058 -1.524 3.023
204 HB3 GLN 25 HB3 GLN 25 14.205 -1.963 4.288
205 HG2 GLN 25 HG2 GLN 25 13.170 -0.418 5.846
206 HG3 GLN 25 HG3 GLN 25 12.115 0.214 4.581
207 HE21 GLN 25 HE21 GLN 25 12.951 -3.040 5.946
208 HE22 GLN 25 HE22 GLN 25 11.347 -3.596 5.963
209 H TRP 26 H TRP 26 14.894 -0.950 1.100
210 HA TRP 26 HA TRP 26 17.432 -2.286 1.500
211 HB2 TRP 26 HB2 TRP 26 15.488 -2.613 -0.226
212 HB3 TRP 26 HB3 TRP 26 16.322 -1.363 -1.148
213 HD1 TRP 26 HD1 TRP 26 18.964 -1.888 -1.735
214 HE1 TRP 26 HE1 TRP 26 20.083 -4.140 -2.301
215 HE3 TRP 26 HE3 TRP 26 15.466 -5.110 0.134
216 HZ2 TRP 26 HZ2 TRP 26 19.565 -6.936 -2.003
217 HZ3 TRP 26 HZ3 TRP 26 15.806 -7.560 -0.021
218 HH2 TRP 26 HH2 TRP 26 17.849 -8.477 -1.087
219 H ILE 27 H ILE 27 16.492 0.946 0.396
220 HA ILE 27 HA ILE 27 19.164 1.650 -0.588
221 HB ILE 27 HB ILE 27 16.708 3.319 0.066
222 HG12 ILE 27 HG12 ILE 27 16.363 1.493 -1.639
223 HG13 ILE 27 HG13 ILE 27 16.137 3.118 -2.283
224 HG21 ILE 27 HG21 ILE 27 18.596 4.781 -0.092
225 HG22 ILE 27 HG22 ILE 27 17.778 4.872 -1.652
226 HG23 ILE 27 HG23 ILE 27 19.243 3.905 -1.480
227 HD11 ILE 27 HD11 ILE 27 18.772 1.646 -2.477
228 HD12 ILE 27 HD12 ILE 27 18.271 3.092 -3.354
229 HD13 ILE 27 HD13 ILE 27 17.527 1.537 -3.722
230 H SER 28 H SER 28 17.221 2.341 2.337
231 HA SER 28 HA SER 28 19.283 4.035 3.539
232 HB2 SER 28 HB2 SER 28 16.627 3.833 3.820
233 HB3 SER 28 HB3 SER 28 17.094 2.730 5.111
234 HG SER 28 HG SER 28 18.303 4.387 6.033
Start of MODEL 14
1 H1 SER 1 H1 SER 1 -21.902 0.873 -0.484
2 H2 SER 1 H2 SER 1 -21.201 -0.606 -0.939
3 H3 SER 1 H3 SER 1 -22.891 -0.458 -0.842
4 HA SER 1 HA SER 1 -22.047 -0.419 -3.165
5 HB2 SER 1 HB2 SER 1 -23.335 2.134 -2.146
6 HB3 SER 1 HB3 SER 1 -23.549 1.407 -3.735
7 HG SER 1 HG SER 1 -25.188 0.484 -2.760
8 H ASP 2 H ASP 2 -21.476 2.767 -1.584
9 HA ASP 2 HA ASP 2 -19.131 3.150 -3.406
10 HB2 ASP 2 HB2 ASP 2 -21.090 4.957 -1.988
11 HB3 ASP 2 HB3 ASP 2 -19.557 5.592 -2.588
12 H ALA 3 H ALA 3 -20.160 3.856 -0.034
13 HA ALA 3 HA ALA 3 -17.596 4.545 0.999
14 HB1 ALA 3 HB1 ALA 3 -20.071 3.297 2.230
15 HB2 ALA 3 HB2 ALA 3 -19.642 5.007 2.197
16 HB3 ALA 3 HB3 ALA 3 -18.710 3.883 3.186
17 H ALA 4 H ALA 4 -19.264 1.371 0.924
18 HA ALA 4 HA ALA 4 -17.256 -0.156 2.260
19 HB1 ALA 4 HB1 ALA 4 -19.657 -0.761 1.637
20 HB2 ALA 4 HB2 ALA 4 -18.467 -2.031 1.357
21 HB3 ALA 4 HB3 ALA 4 -19.063 -1.071 0.005
22 H ALA 5 H ALA 5 -17.675 0.653 -1.197
23 HA ALA 5 HA ALA 5 -15.531 -0.953 -2.221
24 HB1 ALA 5 HB1 ALA 5 -16.495 1.722 -3.276
25 HB2 ALA 5 HB2 ALA 5 -17.445 0.244 -3.438
26 HB3 ALA 5 HB3 ALA 5 -15.862 0.364 -4.206
27 H ARG 6 H ARG 6 -15.616 2.409 -1.004
28 HA ARG 6 HA ARG 6 -12.901 3.075 -1.624
29 HB2 ARG 6 HB2 ARG 6 -15.084 4.039 0.155
30 HB3 ARG 6 HB3 ARG 6 -13.452 4.567 0.569
31 HG2 ARG 6 HG2 ARG 6 -13.225 5.185 -1.931
32 HG3 ARG 6 HG3 ARG 6 -14.983 5.044 -1.986
33 HD2 ARG 6 HD2 ARG 6 -15.158 6.707 -0.137
34 HD3 ARG 6 HD3 ARG 6 -13.392 6.891 -0.167
35 HE ARG 6 HE ARG 6 -15.135 7.477 -2.538
36 HH11 ARG 6 HH11 ARG 6 -12.257 7.231 -3.162
37 HH12 ARG 6 HH12 ARG 6 -11.677 8.852 -2.969
38 HH21 ARG 6 HH21 ARG 6 -14.446 9.905 -1.150
39 HH22 ARG 6 HH22 ARG 6 -12.921 10.372 -1.826
40 H VAL 7 H VAL 7 -14.381 1.432 1.110
41 HA VAL 7 HA VAL 7 -12.083 1.316 2.834
42 HB VAL 7 HB VAL 7 -14.467 -0.538 2.456
43 HG11 VAL 7 HG11 VAL 7 -12.374 -0.363 4.635
44 HG12 VAL 7 HG12 VAL 7 -12.819 -1.774 3.674
45 HG13 VAL 7 HG13 VAL 7 -13.939 -1.140 4.880
46 HG21 VAL 7 HG21 VAL 7 -15.665 0.916 3.729
47 HG22 VAL 7 HG22 VAL 7 -14.422 2.091 3.301
48 HG23 VAL 7 HG23 VAL 7 -14.313 1.207 4.823
49 H THR 8 H THR 8 -13.277 -0.791 0.207
50 HA THR 8 HA THR 8 -11.266 -2.836 0.469
51 HB THR 8 HB THR 8 -12.807 -1.908 -1.976
52 HG1 THR 8 HG1 THR 8 -14.495 -2.719 -1.051
53 HG21 THR 8 HG21 THR 8 -11.049 -3.507 -2.520
54 HG22 THR 8 HG22 THR 8 -12.616 -4.310 -2.622
55 HG23 THR 8 HG23 THR 8 -11.580 -4.575 -1.220
56 H ALA 9 H ALA 9 -11.438 0.193 -1.341
57 HA ALA 9 HA ALA 9 -9.020 -0.146 -2.864
58 HB1 ALA 9 HB1 ALA 9 -11.032 1.514 -3.072
59 HB2 ALA 9 HB2 ALA 9 -9.423 2.088 -3.506
60 HB3 ALA 9 HB3 ALA 9 -10.113 2.503 -1.938
61 H ILE 10 H ILE 10 -9.685 1.265 0.305
62 HA ILE 10 HA ILE 10 -7.114 2.394 0.843
63 HB ILE 10 HB ILE 10 -9.305 1.193 2.568
64 HG12 ILE 10 HG12 ILE 10 -8.436 4.079 2.312
65 HG13 ILE 10 HG13 ILE 10 -9.602 3.361 1.202
66 HG21 ILE 10 HG21 ILE 10 -6.689 2.472 3.367
67 HG22 ILE 10 HG22 ILE 10 -7.420 0.990 3.982
68 HG23 ILE 10 HG23 ILE 10 -8.102 2.557 4.417
69 HD11 ILE 10 HD11 ILE 10 -10.856 2.600 3.341
70 HD12 ILE 10 HD12 ILE 10 -10.956 4.301 2.888
71 HD13 ILE 10 HD13 ILE 10 -9.861 3.794 4.174
72 H LEU 11 H LEU 11 -8.403 -0.897 1.324
73 HA LEU 11 HA LEU 11 -6.089 -2.016 2.605
74 HB2 LEU 11 HB2 LEU 11 -8.595 -2.903 1.321
75 HB3 LEU 11 HB3 LEU 11 -7.293 -4.090 1.265
76 HG LEU 11 HG LEU 11 -7.008 -3.440 3.813
77 HD11 LEU 11 HD11 LEU 11 -8.649 -1.635 3.826
78 HD12 LEU 11 HD12 LEU 11 -9.243 -2.959 4.828
79 HD13 LEU 11 HD13 LEU 11 -9.892 -2.721 3.206
80 HD21 LEU 11 HD21 LEU 11 -8.672 -5.241 4.373
81 HD22 LEU 11 HD22 LEU 11 -7.574 -5.683 3.067
82 HD23 LEU 11 HD23 LEU 11 -9.226 -5.187 2.701
83 H SER 12 H SER 12 -7.069 -1.750 -0.787
84 HA SER 12 HA SER 12 -4.845 -3.237 -1.895
85 HB2 SER 12 HB2 SER 12 -7.145 -2.530 -2.898
86 HB3 SER 12 HB3 SER 12 -6.351 -1.001 -3.262
87 HG SER 12 HG SER 12 -6.048 -2.315 -5.014
88 H SER 13 H SER 13 -5.446 0.228 -1.290
89 HA SER 13 HA SER 13 -3.046 1.271 -2.448
90 HB2 SER 13 HB2 SER 13 -4.940 2.142 -0.260
91 HB3 SER 13 HB3 SER 13 -3.570 3.140 -0.737
92 HG SER 13 HG SER 13 -5.911 2.519 -2.097
93 H LEU 14 H LEU 14 -3.735 -0.105 0.760
94 HA LEU 14 HA LEU 14 -1.362 0.658 2.137
95 HB2 LEU 14 HB2 LEU 14 -3.575 -1.215 2.380
96 HB3 LEU 14 HB3 LEU 14 -2.077 -1.952 2.945
97 HG LEU 14 HG LEU 14 -2.080 0.698 3.945
98 HD11 LEU 14 HD11 LEU 14 -4.771 -0.622 3.962
99 HD12 LEU 14 HD12 LEU 14 -4.365 1.088 3.820
100 HD13 LEU 14 HD13 LEU 14 -4.267 0.286 5.388
101 HD21 LEU 14 HD21 LEU 14 -2.654 -1.982 5.253
102 HD22 LEU 14 HD22 LEU 14 -2.258 -0.505 6.132
103 HD23 LEU 14 HD23 LEU 14 -1.070 -1.232 5.051
104 H THR 15 H THR 15 -2.018 -2.108 -0.025
105 HA THR 15 HA THR 15 0.464 -3.491 0.276
106 HB THR 15 HB THR 15 -1.140 -3.225 -2.283
107 HG1 THR 15 HG1 THR 15 -2.781 -3.910 -1.194
108 HG21 THR 15 HG21 THR 15 -0.577 -5.667 -2.426
109 HG22 THR 15 HG22 THR 15 0.419 -5.473 -0.983
110 HG23 THR 15 HG23 THR 15 0.835 -4.612 -2.465
111 H VAL 16 H VAL 16 -0.522 -0.866 -1.934
112 HA VAL 16 HA VAL 16 1.901 -0.683 -3.451
113 HB VAL 16 HB VAL 16 -0.155 1.419 -2.666
114 HG11 VAL 16 HG11 VAL 16 1.811 2.504 -3.572
115 HG12 VAL 16 HG12 VAL 16 0.573 2.488 -4.829
116 HG13 VAL 16 HG13 VAL 16 1.906 1.334 -4.888
117 HG21 VAL 16 HG21 VAL 16 -0.770 0.745 -5.202
118 HG22 VAL 16 HG22 VAL 16 -1.462 -0.092 -3.812
119 HG23 VAL 16 HG23 VAL 16 -0.087 -0.790 -4.668
120 H THR 17 H THR 17 0.845 0.985 -0.461
121 HA THR 17 HA THR 17 3.125 2.671 -0.118
122 HB THR 17 HB THR 17 1.410 1.346 2.011
123 HG1 THR 17 HG1 THR 17 0.950 3.614 0.372
124 HG21 THR 17 HG21 THR 17 1.894 3.322 3.321
125 HG22 THR 17 HG22 THR 17 2.739 4.069 1.965
126 HG23 THR 17 HG23 THR 17 3.424 2.650 2.758
127 H GLN 18 H GLN 18 2.498 -0.679 0.979
128 HA GLN 18 HA GLN 18 4.873 -1.012 2.532
129 HB2 GLN 18 HB2 GLN 18 2.660 -2.559 1.547
130 HB3 GLN 18 HB3 GLN 18 4.148 -3.468 1.284
131 HG2 GLN 18 HG2 GLN 18 3.602 -2.134 3.933
132 HG3 GLN 18 HG3 GLN 18 2.952 -3.733 3.573
133 HE21 GLN 18 HE21 GLN 18 4.391 -5.517 3.700
134 HE22 GLN 18 HE22 GLN 18 6.049 -5.361 4.025
135 H LEU 19 H LEU 19 4.239 -1.543 -0.905
136 HA LEU 19 HA LEU 19 6.757 -2.703 -1.623
137 HB2 LEU 19 HB2 LEU 19 4.405 -2.070 -2.874
138 HB3 LEU 19 HB3 LEU 19 5.458 -0.810 -3.515
139 HG LEU 19 HG LEU 19 5.470 -2.828 -4.952
140 HD11 LEU 19 HD11 LEU 19 7.523 -1.337 -4.589
141 HD12 LEU 19 HD12 LEU 19 7.831 -2.946 -5.240
142 HD13 LEU 19 HD13 LEU 19 8.132 -2.614 -3.534
143 HD21 LEU 19 HD21 LEU 19 6.957 -4.331 -2.827
144 HD22 LEU 19 HD22 LEU 19 6.015 -4.949 -4.183
145 HD23 LEU 19 HD23 LEU 19 5.195 -4.305 -2.762
146 H LEU 20 H LEU 20 5.674 0.683 -1.366
147 HA LEU 20 HA LEU 20 8.106 1.919 -2.288
148 HB2 LEU 20 HB2 LEU 20 5.593 2.732 -1.719
149 HB3 LEU 20 HB3 LEU 20 6.389 3.228 -0.226
150 HG LEU 20 HG LEU 20 7.658 3.899 -2.867
151 HD11 LEU 20 HD11 LEU 20 6.387 5.984 -2.963
152 HD12 LEU 20 HD12 LEU 20 5.490 5.534 -1.512
153 HD13 LEU 20 HD13 LEU 20 5.273 4.618 -3.004
154 HD21 LEU 20 HD21 LEU 20 7.695 4.907 -0.032
155 HD22 LEU 20 HD22 LEU 20 8.154 5.991 -1.346
156 HD23 LEU 20 HD23 LEU 20 9.050 4.495 -1.084
157 H ARG 21 H ARG 21 6.939 0.945 0.953
158 HA ARG 21 HA ARG 21 9.069 2.061 2.505
159 HB2 ARG 21 HB2 ARG 21 6.777 0.943 3.118
160 HB3 ARG 21 HB3 ARG 21 7.701 -0.559 3.117
161 HG2 ARG 21 HG2 ARG 21 8.676 1.840 4.661
162 HG3 ARG 21 HG3 ARG 21 7.479 0.747 5.356
163 HD2 ARG 21 HD2 ARG 21 9.376 -1.009 4.352
164 HD3 ARG 21 HD3 ARG 21 10.360 0.332 4.972
165 HE ARG 21 HE ARG 21 8.498 -1.330 6.580
166 HH11 ARG 21 HH11 ARG 21 11.491 -0.588 7.038
167 HH12 ARG 21 HH12 ARG 21 11.335 0.463 8.404
168 HH21 ARG 21 HH21 ARG 21 7.904 0.873 8.031
169 HH22 ARG 21 HH22 ARG 21 9.297 1.291 8.971
170 H ARG 22 H ARG 22 8.697 -1.151 0.981
171 HA ARG 22 HA ARG 22 11.150 -2.321 1.866
172 HB2 ARG 22 HB2 ARG 22 8.967 -2.845 0.062
173 HB3 ARG 22 HB3 ARG 22 10.480 -3.216 -0.762
174 HG2 ARG 22 HG2 ARG 22 10.642 -4.192 1.932
175 HG3 ARG 22 HG3 ARG 22 9.143 -4.773 1.208
176 HD2 ARG 22 HD2 ARG 22 10.447 -5.577 -0.772
177 HD3 ARG 22 HD3 ARG 22 11.939 -5.092 0.058
178 HE ARG 22 HE ARG 22 10.525 -6.651 1.914
179 HH11 ARG 22 HH11 ARG 22 13.214 -7.480 1.118
180 HH12 ARG 22 HH12 ARG 22 12.945 -8.951 0.247
181 HH21 ARG 22 HH21 ARG 22 9.555 -8.346 -0.243
182 HH22 ARG 22 HH22 ARG 22 10.862 -9.444 -0.526
183 H LEU 23 H LEU 23 10.383 -0.382 -1.041
184 HA LEU 23 HA LEU 23 12.927 -0.547 -2.331
185 HB2 LEU 23 HB2 LEU 23 10.701 0.330 -3.200
186 HB3 LEU 23 HB3 LEU 23 11.005 1.803 -2.280
187 HG LEU 23 HG LEU 23 13.319 1.033 -3.883
188 HD11 LEU 23 HD11 LEU 23 12.372 1.444 -6.076
189 HD12 LEU 23 HD12 LEU 23 10.785 1.765 -5.379
190 HD13 LEU 23 HD13 LEU 23 11.459 0.136 -5.325
191 HD21 LEU 23 HD21 LEU 23 13.243 3.374 -4.491
192 HD22 LEU 23 HD22 LEU 23 12.830 3.254 -2.780
193 HD23 LEU 23 HD23 LEU 23 11.560 3.503 -3.978
194 H HIS 24 H HIS 24 11.649 1.818 0.033
195 HA HIS 24 HA HIS 24 13.990 3.481 0.156
196 HB2 HIS 24 HB2 HIS 24 11.598 3.922 0.947
197 HB3 HIS 24 HB3 HIS 24 11.974 2.926 2.352
198 HD1 HIS 24 HD1 HIS 24 14.481 5.281 0.791
199 HD2 HIS 24 HD2 HIS 24 12.069 5.072 4.185
200 HE1 HIS 24 HE1 HIS 24 15.216 7.168 2.311
201 H GLN 25 H GLN 25 12.972 0.603 1.990
202 HA GLN 25 HA GLN 25 15.050 0.599 3.959
203 HB2 GLN 25 HB2 GLN 25 12.889 -0.741 3.852
204 HB3 GLN 25 HB3 GLN 25 13.678 -1.779 2.666
205 HG2 GLN 25 HG2 GLN 25 15.492 -1.510 4.831
206 HG3 GLN 25 HG3 GLN 25 13.910 -1.826 5.541
207 HE21 GLN 25 HE21 GLN 25 15.349 -3.933 6.035
208 HE22 GLN 25 HE22 GLN 25 15.174 -5.193 4.911
209 H TRP 26 H TRP 26 14.911 -0.673 0.635
210 HA TRP 26 HA TRP 26 17.439 -2.086 0.723
211 HB2 TRP 26 HB2 TRP 26 15.296 -1.446 -1.132
212 HB3 TRP 26 HB3 TRP 26 16.862 -1.258 -1.917
213 HD1 TRP 26 HD1 TRP 26 14.734 -3.864 -0.073
214 HE1 TRP 26 HE1 TRP 26 15.592 -6.214 -0.700
215 HE3 TRP 26 HE3 TRP 26 18.860 -2.599 -2.803
216 HZ2 TRP 26 HZ2 TRP 26 17.741 -7.399 -2.169
217 HZ3 TRP 26 HZ3 TRP 26 20.292 -4.356 -3.805
218 HH2 TRP 26 HH2 TRP 26 19.738 -6.752 -3.490
219 H ILE 27 H ILE 27 16.496 1.252 0.043
220 HA ILE 27 HA ILE 27 19.137 2.022 -0.999
221 HB ILE 27 HB ILE 27 16.621 3.527 -0.205
222 HG12 ILE 27 HG12 ILE 27 17.714 3.193 -2.990
223 HG13 ILE 27 HG13 ILE 27 16.773 1.894 -2.258
224 HG21 ILE 27 HG21 ILE 27 17.656 5.415 -1.510
225 HG22 ILE 27 HG22 ILE 27 19.166 4.504 -1.536
226 HG23 ILE 27 HG23 ILE 27 18.493 5.054 -0.001
227 HD11 ILE 27 HD11 ILE 27 15.909 4.659 -3.023
228 HD12 ILE 27 HD12 ILE 27 15.106 3.863 -1.669
229 HD13 ILE 27 HD13 ILE 27 15.082 3.121 -3.269
230 H SER 28 H SER 28 17.317 2.371 2.053
231 HA SER 28 HA SER 28 19.548 3.872 3.304
232 HB2 SER 28 HB2 SER 28 16.812 2.963 4.254
233 HB3 SER 28 HB3 SER 28 17.910 3.957 5.206
234 HG SER 28 HG SER 28 16.173 4.768 3.430
Start of MODEL 15
1 H1 SER 1 H1 SER 1 -24.241 0.515 -3.889
2 H2 SER 1 H2 SER 1 -25.480 1.188 -2.941
3 H3 SER 1 H3 SER 1 -24.733 -0.263 -2.465
4 HA SER 1 HA SER 1 -23.466 2.432 -2.555
5 HB2 SER 1 HB2 SER 1 -24.512 0.561 -0.428
6 HB3 SER 1 HB3 SER 1 -23.313 1.792 -0.043
7 HG SER 1 HG SER 1 -25.368 2.641 0.254
8 H ASP 2 H ASP 2 -22.984 -0.913 -1.323
9 HA ASP 2 HA ASP 2 -21.051 -2.248 -1.211
10 HB2 ASP 2 HB2 ASP 2 -21.150 -0.869 -3.754
11 HB3 ASP 2 HB3 ASP 2 -19.473 -1.128 -3.274
12 H ALA 3 H ALA 3 -20.945 -0.394 0.742
13 HA ALA 3 HA ALA 3 -18.748 1.463 0.687
14 HB1 ALA 3 HB1 ALA 3 -19.078 1.386 3.164
15 HB2 ALA 3 HB2 ALA 3 -20.131 -0.012 2.952
16 HB3 ALA 3 HB3 ALA 3 -20.601 1.553 2.291
17 H ALA 4 H ALA 4 -18.950 -1.997 1.407
18 HA ALA 4 HA ALA 4 -16.451 -2.372 2.730
19 HB1 ALA 4 HB1 ALA 4 -17.966 -4.182 0.817
20 HB2 ALA 4 HB2 ALA 4 -18.295 -4.025 2.543
21 HB3 ALA 4 HB3 ALA 4 -16.765 -4.710 1.996
22 H ALA 5 H ALA 5 -17.273 -2.301 -0.748
23 HA ALA 5 HA ALA 5 -14.705 -3.068 -1.761
24 HB1 ALA 5 HB1 ALA 5 -16.947 -2.915 -2.958
25 HB2 ALA 5 HB2 ALA 5 -15.589 -2.229 -3.850
26 HB3 ALA 5 HB3 ALA 5 -16.716 -1.167 -3.005
27 H ARG 6 H ARG 6 -16.067 0.143 -0.944
28 HA ARG 6 HA ARG 6 -13.841 1.700 -1.862
29 HB2 ARG 6 HB2 ARG 6 -16.148 2.508 -1.240
30 HB3 ARG 6 HB3 ARG 6 -15.733 2.235 0.452
31 HG2 ARG 6 HG2 ARG 6 -14.669 4.217 0.555
32 HG3 ARG 6 HG3 ARG 6 -13.642 3.771 -0.807
33 HD2 ARG 6 HD2 ARG 6 -14.743 5.613 -1.722
34 HD3 ARG 6 HD3 ARG 6 -15.877 4.331 -2.190
35 HE ARG 6 HE ARG 6 -16.219 5.832 0.382
36 HH11 ARG 6 HH11 ARG 6 -17.955 3.483 -0.679
37 HH12 ARG 6 HH12 ARG 6 -19.347 4.355 -1.231
38 HH21 ARG 6 HH21 ARG 6 -17.756 7.448 -1.163
39 HH22 ARG 6 HH22 ARG 6 -19.233 6.611 -1.505
40 H VAL 7 H VAL 7 -14.500 0.020 1.153
41 HA VAL 7 HA VAL 7 -12.290 1.034 2.692
42 HB VAL 7 HB VAL 7 -13.776 -1.622 2.760
43 HG11 VAL 7 HG11 VAL 7 -11.879 -0.288 4.699
44 HG12 VAL 7 HG12 VAL 7 -11.804 -1.927 4.054
45 HG13 VAL 7 HG13 VAL 7 -13.049 -1.498 5.226
46 HG21 VAL 7 HG21 VAL 7 -14.780 0.914 3.177
47 HG22 VAL 7 HG22 VAL 7 -14.318 0.429 4.807
48 HG23 VAL 7 HG23 VAL 7 -15.446 -0.560 3.880
49 H THR 8 H THR 8 -12.659 -1.726 0.453
50 HA THR 8 HA THR 8 -10.021 -2.819 0.828
51 HB THR 8 HB THR 8 -11.889 -2.916 -1.562
52 HG1 THR 8 HG1 THR 8 -13.072 -4.131 -0.352
53 HG21 THR 8 HG21 THR 8 -10.087 -3.994 -2.443
54 HG22 THR 8 HG22 THR 8 -10.637 -5.334 -1.436
55 HG23 THR 8 HG23 THR 8 -9.354 -4.268 -0.863
56 H ALA 9 H ALA 9 -11.357 -0.366 -1.335
57 HA ALA 9 HA ALA 9 -9.071 -0.035 -3.032
58 HB1 ALA 9 HB1 ALA 9 -10.201 2.005 -3.694
59 HB2 ALA 9 HB2 ALA 9 -11.100 2.047 -2.177
60 HB3 ALA 9 HB3 ALA 9 -11.443 0.794 -3.369
61 H ILE 10 H ILE 10 -10.034 1.562 -0.024
62 HA ILE 10 HA ILE 10 -7.912 3.464 0.172
63 HB ILE 10 HB ILE 10 -9.491 1.904 2.253
64 HG12 ILE 10 HG12 ILE 10 -9.829 4.801 1.473
65 HG13 ILE 10 HG13 ILE 10 -10.622 3.519 0.556
66 HG21 ILE 10 HG21 ILE 10 -7.393 2.804 3.219
67 HG22 ILE 10 HG22 ILE 10 -8.807 3.644 3.852
68 HG23 ILE 10 HG23 ILE 10 -7.811 4.407 2.614
69 HD11 ILE 10 HD11 ILE 10 -12.231 4.106 2.177
70 HD12 ILE 10 HD12 ILE 10 -11.019 4.282 3.446
71 HD13 ILE 10 HD13 ILE 10 -11.460 2.676 2.862
72 H LEU 11 H LEU 11 -8.152 0.065 1.190
73 HA LEU 11 HA LEU 11 -5.569 -0.153 2.423
74 HB2 LEU 11 HB2 LEU 11 -7.651 -1.662 2.555
75 HB3 LEU 11 HB3 LEU 11 -7.107 -2.341 1.019
76 HG LEU 11 HG LEU 11 -4.891 -2.205 2.872
77 HD11 LEU 11 HD11 LEU 11 -7.327 -3.761 3.800
78 HD12 LEU 11 HD12 LEU 11 -6.651 -2.341 4.601
79 HD13 LEU 11 HD13 LEU 11 -5.720 -3.837 4.524
80 HD21 LEU 11 HD21 LEU 11 -5.185 -3.660 0.827
81 HD22 LEU 11 HD22 LEU 11 -6.364 -4.604 1.738
82 HD23 LEU 11 HD23 LEU 11 -4.683 -4.542 2.270
83 H SER 12 H SER 12 -6.708 -0.678 -0.888
84 HA SER 12 HA SER 12 -4.377 -1.852 -2.018
85 HB2 SER 12 HB2 SER 12 -6.748 -1.423 -2.973
86 HB3 SER 12 HB3 SER 12 -6.140 0.171 -3.411
87 HG SER 12 HG SER 12 -4.544 -0.829 -4.646
88 H SER 13 H SER 13 -5.219 1.596 -1.561
89 HA SER 13 HA SER 13 -2.835 2.631 -2.848
90 HB2 SER 13 HB2 SER 13 -4.499 3.953 -0.690
91 HB3 SER 13 HB3 SER 13 -3.623 4.731 -2.004
92 HG SER 13 HG SER 13 -5.084 3.759 -3.456
93 H LEU 14 H LEU 14 -3.680 1.714 0.474
94 HA LEU 14 HA LEU 14 -1.384 2.806 1.806
95 HB2 LEU 14 HB2 LEU 14 -3.462 0.700 2.311
96 HB3 LEU 14 HB3 LEU 14 -2.076 0.788 3.398
97 HG LEU 14 HG LEU 14 -3.601 3.287 2.707
98 HD11 LEU 14 HD11 LEU 14 -5.314 1.717 3.458
99 HD12 LEU 14 HD12 LEU 14 -4.989 2.879 4.743
100 HD13 LEU 14 HD13 LEU 14 -4.320 1.250 4.837
101 HD21 LEU 14 HD21 LEU 14 -1.371 3.249 3.949
102 HD22 LEU 14 HD22 LEU 14 -2.219 2.437 5.266
103 HD23 LEU 14 HD23 LEU 14 -2.690 4.067 4.786
104 H THR 15 H THR 15 -1.996 -0.449 0.419
105 HA THR 15 HA THR 15 0.523 -1.596 1.208
106 HB THR 15 HB THR 15 -0.084 -3.226 -0.672
107 HG1 THR 15 HG1 THR 15 -1.318 -2.214 -2.069
108 HG21 THR 15 HG21 THR 15 -0.792 -3.626 1.623
109 HG22 THR 15 HG22 THR 15 -2.111 -4.041 0.529
110 HG23 THR 15 HG23 THR 15 -2.154 -2.524 1.426
111 H VAL 16 H VAL 16 -0.494 0.103 -1.773
112 HA VAL 16 HA VAL 16 1.870 -0.309 -3.313
113 HB VAL 16 HB VAL 16 -0.177 1.926 -3.147
114 HG11 VAL 16 HG11 VAL 16 0.719 2.450 -5.516
115 HG12 VAL 16 HG12 VAL 16 2.163 1.565 -5.024
116 HG13 VAL 16 HG13 VAL 16 1.676 3.016 -4.146
117 HG21 VAL 16 HG21 VAL 16 -0.478 -0.622 -4.019
118 HG22 VAL 16 HG22 VAL 16 0.104 0.131 -5.504
119 HG23 VAL 16 HG23 VAL 16 -1.354 0.740 -4.720
120 H THR 17 H THR 17 1.049 2.298 -0.995
121 HA THR 17 HA THR 17 3.509 3.764 -1.256
122 HB THR 17 HB THR 17 1.549 3.499 1.054
123 HG1 THR 17 HG1 THR 17 0.298 4.563 -0.232
124 HG21 THR 17 HG21 THR 17 2.368 5.772 1.655
125 HG22 THR 17 HG22 THR 17 3.588 5.643 0.386
126 HG23 THR 17 HG23 THR 17 3.636 4.551 1.771
127 H GLN 18 H GLN 18 2.477 1.223 1.059
128 HA GLN 18 HA GLN 18 4.900 1.185 2.596
129 HB2 GLN 18 HB2 GLN 18 2.455 -0.414 2.237
130 HB3 GLN 18 HB3 GLN 18 3.852 -1.370 2.729
131 HG2 GLN 18 HG2 GLN 18 3.077 1.196 4.133
132 HG3 GLN 18 HG3 GLN 18 2.442 -0.373 4.622
133 HE21 GLN 18 HE21 GLN 18 4.057 1.097 6.428
134 HE22 GLN 18 HE22 GLN 18 5.548 0.307 6.611
135 H LEU 19 H LEU 19 3.893 -0.582 -0.294
136 HA LEU 19 HA LEU 19 6.064 -2.410 -0.512
137 HB2 LEU 19 HB2 LEU 19 3.853 -2.112 -1.870
138 HB3 LEU 19 HB3 LEU 19 4.795 -0.994 -2.860
139 HG LEU 19 HG LEU 19 6.541 -2.997 -2.859
140 HD11 LEU 19 HD11 LEU 19 5.294 -5.171 -2.962
141 HD12 LEU 19 HD12 LEU 19 3.863 -4.332 -2.362
142 HD13 LEU 19 HD13 LEU 19 5.304 -4.451 -1.353
143 HD21 LEU 19 HD21 LEU 19 4.034 -3.197 -4.549
144 HD22 LEU 19 HD22 LEU 19 5.678 -3.652 -4.999
145 HD23 LEU 19 HD23 LEU 19 5.256 -1.951 -4.800
146 H LEU 20 H LEU 20 5.743 0.975 -1.603
147 HA LEU 20 HA LEU 20 8.298 1.165 -2.921
148 HB2 LEU 20 HB2 LEU 20 6.099 2.904 -1.998
149 HB3 LEU 20 HB3 LEU 20 7.672 3.698 -1.987
150 HG LEU 20 HG LEU 20 6.590 4.032 -4.157
151 HD11 LEU 20 HD11 LEU 20 8.694 1.955 -4.696
152 HD12 LEU 20 HD12 LEU 20 9.134 3.448 -3.866
153 HD13 LEU 20 HD13 LEU 20 8.438 3.510 -5.485
154 HD21 LEU 20 HD21 LEU 20 6.073 2.108 -5.607
155 HD22 LEU 20 HD22 LEU 20 5.155 2.014 -4.105
156 HD23 LEU 20 HD23 LEU 20 6.580 1.000 -4.333
157 H ARG 21 H ARG 21 7.226 1.849 0.427
158 HA ARG 21 HA ARG 21 9.777 2.832 1.370
159 HB2 ARG 21 HB2 ARG 21 7.400 3.059 2.350
160 HB3 ARG 21 HB3 ARG 21 7.635 1.430 2.987
161 HG2 ARG 21 HG2 ARG 21 9.582 2.141 4.246
162 HG3 ARG 21 HG3 ARG 21 9.528 3.740 3.503
163 HD2 ARG 21 HD2 ARG 21 7.726 4.428 4.790
164 HD3 ARG 21 HD3 ARG 21 7.077 2.783 4.946
165 HE ARG 21 HE ARG 21 8.582 2.394 6.751
166 HH11 ARG 21 HH11 ARG 21 11.121 3.347 5.637
167 HH12 ARG 21 HH12 ARG 21 11.448 4.781 6.551
168 HH21 ARG 21 HH21 ARG 21 8.182 5.105 7.701
169 HH22 ARG 21 HH22 ARG 21 9.777 5.781 7.725
170 H ARG 22 H ARG 22 8.214 -0.377 1.385
171 HA ARG 22 HA ARG 22 10.191 -1.802 2.874
172 HB2 ARG 22 HB2 ARG 22 7.976 -2.367 0.972
173 HB3 ARG 22 HB3 ARG 22 9.171 -3.651 1.160
174 HG2 ARG 22 HG2 ARG 22 7.872 -2.286 3.525
175 HG3 ARG 22 HG3 ARG 22 7.192 -3.727 2.771
176 HD2 ARG 22 HD2 ARG 22 9.561 -4.762 3.088
177 HD3 ARG 22 HD3 ARG 22 9.811 -3.445 4.249
178 HE ARG 22 HE ARG 22 8.331 -5.744 4.863
179 HH11 ARG 22 HH11 ARG 22 8.733 -2.789 6.152
180 HH12 ARG 22 HH12 ARG 22 7.122 -2.571 6.750
181 HH21 ARG 22 HH21 ARG 22 5.825 -5.275 4.989
182 HH22 ARG 22 HH22 ARG 22 5.469 -3.988 6.091
183 H LEU 23 H LEU 23 9.826 -1.352 -0.664
184 HA LEU 23 HA LEU 23 12.100 -2.845 -1.496
185 HB2 LEU 23 HB2 LEU 23 10.173 -1.805 -2.834
186 HB3 LEU 23 HB3 LEU 23 11.070 -0.288 -2.755
187 HG LEU 23 HG LEU 23 13.071 -1.766 -3.632
188 HD11 LEU 23 HD11 LEU 23 10.604 -3.376 -4.320
189 HD12 LEU 23 HD12 LEU 23 12.088 -3.934 -3.548
190 HD13 LEU 23 HD13 LEU 23 12.094 -3.497 -5.257
191 HD21 LEU 23 HD21 LEU 23 11.173 -0.068 -4.819
192 HD22 LEU 23 HD22 LEU 23 11.268 -1.461 -5.894
193 HD23 LEU 23 HD23 LEU 23 12.725 -0.550 -5.502
194 H HIS 24 H HIS 24 11.820 0.563 -0.468
195 HA HIS 24 HA HIS 24 14.514 1.353 -1.072
196 HB2 HIS 24 HB2 HIS 24 12.198 2.299 0.534
197 HB3 HIS 24 HB3 HIS 24 13.769 2.937 1.016
198 HD1 HIS 24 HD1 HIS 24 15.255 3.629 -1.344
199 HD2 HIS 24 HD2 HIS 24 11.097 3.928 -1.392
200 HE1 HIS 24 HE1 HIS 24 14.673 5.207 -3.237
201 H GLN 25 H GLN 25 13.027 0.016 1.896
202 HA GLN 25 HA GLN 25 15.351 0.153 3.573
203 HB2 GLN 25 HB2 GLN 25 13.209 -0.204 4.557
204 HB3 GLN 25 HB3 GLN 25 12.851 -1.550 3.478
205 HG2 GLN 25 HG2 GLN 25 14.208 -3.034 4.650
206 HG3 GLN 25 HG3 GLN 25 15.226 -1.750 5.303
207 HE21 GLN 25 HE21 GLN 25 14.901 -1.564 7.525
208 HE22 GLN 25 HE22 GLN 25 13.406 -1.738 8.309
209 H TRP 26 H TRP 26 14.152 -2.388 1.364
210 HA TRP 26 HA TRP 26 16.153 -4.359 2.012
211 HB2 TRP 26 HB2 TRP 26 14.323 -3.824 -0.340
212 HB3 TRP 26 HB3 TRP 26 15.397 -5.221 -0.302
213 HD1 TRP 26 HD1 TRP 26 11.989 -4.626 0.271
214 HE1 TRP 26 HE1 TRP 26 10.968 -6.137 2.096
215 HE3 TRP 26 HE3 TRP 26 16.256 -6.258 2.556
216 HZ2 TRP 26 HZ2 TRP 26 11.846 -7.814 4.238
217 HZ3 TRP 26 HZ3 TRP 26 16.133 -7.809 4.484
218 HH2 TRP 26 HH2 TRP 26 13.937 -8.589 5.328
219 H ILE 27 H ILE 27 16.153 -1.554 -0.124
220 HA ILE 27 HA ILE 27 18.473 -2.312 -1.702
221 HB ILE 27 HB ILE 27 17.021 0.279 -1.089
222 HG12 ILE 27 HG12 ILE 27 15.950 -1.585 -2.482
223 HG13 ILE 27 HG13 ILE 27 16.036 -0.001 -3.247
224 HG21 ILE 27 HG21 ILE 27 18.339 1.042 -3.218
225 HG22 ILE 27 HG22 ILE 27 19.476 -0.226 -2.757
226 HG23 ILE 27 HG23 ILE 27 19.141 1.104 -1.648
227 HD11 ILE 27 HD11 ILE 27 16.756 -2.018 -4.671
228 HD12 ILE 27 HD12 ILE 27 18.192 -2.080 -3.649
229 HD13 ILE 27 HD13 ILE 27 17.863 -0.646 -4.622
230 H SER 28 H SER 28 17.973 -0.329 1.231
231 HA SER 28 HA SER 28 20.822 0.335 1.477
232 HB2 SER 28 HB2 SER 28 19.888 1.219 3.735
233 HB3 SER 28 HB3 SER 28 19.296 1.967 2.255
234 HG SER 28 HG SER 28 18.007 -0.228 3.518
Start of MODEL 16
1 H1 SER 1 H1 SER 1 -17.415 2.080 -4.872
2 H2 SER 1 H2 SER 1 -17.236 3.612 -4.159
3 H3 SER 1 H3 SER 1 -17.063 3.429 -5.838
4 HA SER 1 HA SER 1 -19.199 4.328 -5.613
5 HB2 SER 1 HB2 SER 1 -20.604 2.308 -6.216
6 HB3 SER 1 HB3 SER 1 -19.098 2.439 -7.120
7 HG SER 1 HG SER 1 -19.928 0.545 -5.322
8 H ASP 2 H ASP 2 -18.826 1.574 -3.340
9 HA ASP 2 HA ASP 2 -20.935 2.817 -1.610
10 HB2 ASP 2 HB2 ASP 2 -20.044 -0.064 -1.989
11 HB3 ASP 2 HB3 ASP 2 -21.293 0.459 -0.859
12 H ALA 3 H ALA 3 -20.577 1.983 0.773
13 HA ALA 3 HA ALA 3 -18.118 3.049 1.786
14 HB1 ALA 3 HB1 ALA 3 -20.184 1.185 3.004
15 HB2 ALA 3 HB2 ALA 3 -20.223 2.948 3.045
16 HB3 ALA 3 HB3 ALA 3 -18.969 2.072 3.923
17 H ALA 4 H ALA 4 -19.222 -0.337 1.383
18 HA ALA 4 HA ALA 4 -16.897 -1.628 2.434
19 HB1 ALA 4 HB1 ALA 4 -17.795 -3.565 1.186
20 HB2 ALA 4 HB2 ALA 4 -18.827 -2.485 0.249
21 HB3 ALA 4 HB3 ALA 4 -19.099 -2.683 1.980
22 H ALA 5 H ALA 5 -17.692 -0.528 -0.874
23 HA ALA 5 HA ALA 5 -15.363 -1.605 -2.171
24 HB1 ALA 5 HB1 ALA 5 -17.516 -0.729 -3.200
25 HB2 ALA 5 HB2 ALA 5 -16.047 -0.143 -3.980
26 HB3 ALA 5 HB3 ALA 5 -16.930 0.900 -2.866
27 H ARG 6 H ARG 6 -15.981 1.512 -0.539
28 HA ARG 6 HA ARG 6 -13.503 2.777 -1.241
29 HB2 ARG 6 HB2 ARG 6 -15.683 3.708 -0.181
30 HB3 ARG 6 HB3 ARG 6 -15.013 3.147 1.351
31 HG2 ARG 6 HG2 ARG 6 -12.987 4.587 -0.112
32 HG3 ARG 6 HG3 ARG 6 -14.441 5.578 0.011
33 HD2 ARG 6 HD2 ARG 6 -14.484 5.247 2.456
34 HD3 ARG 6 HD3 ARG 6 -13.040 4.221 2.346
35 HE ARG 6 HE ARG 6 -11.904 6.265 1.300
36 HH11 ARG 6 HH11 ARG 6 -14.393 7.977 1.278
37 HH12 ARG 6 HH12 ARG 6 -14.167 8.948 2.693
38 HH21 ARG 6 HH21 ARG 6 -11.711 6.886 4.036
39 HH22 ARG 6 HH22 ARG 6 -12.643 8.328 4.262
40 H VAL 7 H VAL 7 -14.432 0.590 1.352
41 HA VAL 7 HA VAL 7 -12.018 0.734 2.910
42 HB VAL 7 HB VAL 7 -14.053 -1.487 2.471
43 HG11 VAL 7 HG11 VAL 7 -13.255 -2.263 4.733
44 HG12 VAL 7 HG12 VAL 7 -11.927 -1.111 4.600
45 HG13 VAL 7 HG13 VAL 7 -12.057 -2.443 3.451
46 HG21 VAL 7 HG21 VAL 7 -14.359 1.032 3.639
47 HG22 VAL 7 HG22 VAL 7 -14.098 -0.044 5.012
48 HG23 VAL 7 HG23 VAL 7 -15.415 -0.359 3.883
49 H THR 8 H THR 8 -13.024 -1.275 0.133
50 HA THR 8 HA THR 8 -10.674 -2.938 0.051
51 HB THR 8 HB THR 8 -12.578 -2.090 -2.154
52 HG1 THR 8 HG1 THR 8 -13.973 -3.245 -1.123
53 HG21 THR 8 HG21 THR 8 -10.874 -4.579 -1.846
54 HG22 THR 8 HG22 THR 8 -10.530 -3.241 -2.943
55 HG23 THR 8 HG23 THR 8 -11.969 -4.231 -3.184
56 H ALA 9 H ALA 9 -11.510 0.169 -1.411
57 HA ALA 9 HA ALA 9 -9.208 0.393 -3.126
58 HB1 ALA 9 HB1 ALA 9 -9.994 2.619 -3.449
59 HB2 ALA 9 HB2 ALA 9 -10.717 2.672 -1.841
60 HB3 ALA 9 HB3 ALA 9 -11.447 1.681 -3.105
61 H ILE 10 H ILE 10 -9.843 1.456 0.186
62 HA ILE 10 HA ILE 10 -7.405 2.893 0.636
63 HB ILE 10 HB ILE 10 -9.331 1.357 2.407
64 HG12 ILE 10 HG12 ILE 10 -10.169 3.412 1.306
65 HG13 ILE 10 HG13 ILE 10 -10.055 3.625 3.053
66 HG21 ILE 10 HG21 ILE 10 -8.145 2.904 4.208
67 HG22 ILE 10 HG22 ILE 10 -6.778 2.769 3.100
68 HG23 ILE 10 HG23 ILE 10 -7.484 1.317 3.813
69 HD11 ILE 10 HD11 ILE 10 -7.531 4.369 2.028
70 HD12 ILE 10 HD12 ILE 10 -8.771 5.438 2.684
71 HD13 ILE 10 HD13 ILE 10 -8.722 5.104 0.954
72 H LEU 11 H LEU 11 -8.260 -0.541 0.956
73 HA LEU 11 HA LEU 11 -5.803 -1.474 2.093
74 HB2 LEU 11 HB2 LEU 11 -8.073 -2.625 1.876
75 HB3 LEU 11 HB3 LEU 11 -7.653 -2.933 0.192
76 HG LEU 11 HG LEU 11 -5.435 -3.702 1.846
77 HD11 LEU 11 HD11 LEU 11 -8.105 -4.927 2.609
78 HD12 LEU 11 HD12 LEU 11 -7.091 -3.931 3.655
79 HD13 LEU 11 HD13 LEU 11 -6.527 -5.516 3.128
80 HD21 LEU 11 HD21 LEU 11 -5.712 -5.801 0.691
81 HD22 LEU 11 HD22 LEU 11 -6.133 -4.525 -0.452
82 HD23 LEU 11 HD23 LEU 11 -7.406 -5.451 0.345
83 H SER 12 H SER 12 -6.867 -0.975 -1.241
84 HA SER 12 HA SER 12 -4.637 -2.178 -2.582
85 HB2 SER 12 HB2 SER 12 -6.990 -1.257 -3.362
86 HB3 SER 12 HB3 SER 12 -6.089 0.231 -3.638
87 HG SER 12 HG SER 12 -5.950 -2.229 -4.923
88 H SER 13 H SER 13 -5.206 1.222 -1.564
89 HA SER 13 HA SER 13 -2.654 2.171 -2.588
90 HB2 SER 13 HB2 SER 13 -3.300 4.159 -1.098
91 HB3 SER 13 HB3 SER 13 -4.452 3.724 -2.355
92 HG SER 13 HG SER 13 -5.844 3.275 -0.850
93 H LEU 14 H LEU 14 -3.775 0.931 0.543
94 HA LEU 14 HA LEU 14 -1.532 1.713 2.145
95 HB2 LEU 14 HB2 LEU 14 -3.865 -0.055 2.262
96 HB3 LEU 14 HB3 LEU 14 -2.492 -0.711 3.149
97 HG LEU 14 HG LEU 14 -3.988 0.766 4.531
98 HD11 LEU 14 HD11 LEU 14 -1.211 1.916 4.167
99 HD12 LEU 14 HD12 LEU 14 -1.527 0.389 4.989
100 HD13 LEU 14 HD13 LEU 14 -2.177 1.892 5.643
101 HD21 LEU 14 HD21 LEU 14 -2.811 3.199 3.315
102 HD22 LEU 14 HD22 LEU 14 -4.425 2.939 3.976
103 HD23 LEU 14 HD23 LEU 14 -4.042 2.393 2.343
104 H THR 15 H THR 15 -2.151 -1.333 0.336
105 HA THR 15 HA THR 15 0.340 -2.582 1.087
106 HB THR 15 HB THR 15 -1.791 -3.664 0.235
107 HG1 THR 15 HG1 THR 15 0.537 -4.321 -1.241
108 HG21 THR 15 HG21 THR 15 -0.730 -2.655 -2.420
109 HG22 THR 15 HG22 THR 15 -2.262 -2.219 -1.662
110 HG23 THR 15 HG23 THR 15 -2.004 -3.862 -2.242
111 H VAL 16 H VAL 16 -0.584 -0.513 -1.669
112 HA VAL 16 HA VAL 16 1.799 -0.877 -3.230
113 HB VAL 16 HB VAL 16 -0.260 1.331 -2.943
114 HG11 VAL 16 HG11 VAL 16 0.706 2.053 -5.234
115 HG12 VAL 16 HG12 VAL 16 2.146 1.151 -4.762
116 HG13 VAL 16 HG13 VAL 16 1.604 2.520 -3.790
117 HG21 VAL 16 HG21 VAL 16 -0.811 -0.980 -3.920
118 HG22 VAL 16 HG22 VAL 16 0.252 -0.550 -5.258
119 HG23 VAL 16 HG23 VAL 16 -1.193 0.408 -4.937
120 H THR 17 H THR 17 0.955 1.584 -0.748
121 HA THR 17 HA THR 17 3.434 3.034 -0.886
122 HB THR 17 HB THR 17 1.323 2.647 1.260
123 HG1 THR 17 HG1 THR 17 0.397 3.929 -0.123
124 HG21 THR 17 HG21 THR 17 2.353 4.815 2.182
125 HG22 THR 17 HG22 THR 17 3.772 4.415 1.215
126 HG23 THR 17 HG23 THR 17 3.239 3.322 2.492
127 H GLN 18 H GLN 18 2.394 0.263 1.120
128 HA GLN 18 HA GLN 18 4.724 0.119 2.776
129 HB2 GLN 18 HB2 GLN 18 2.480 -1.659 1.930
130 HB3 GLN 18 HB3 GLN 18 3.863 -2.420 2.716
131 HG2 GLN 18 HG2 GLN 18 3.639 -0.660 4.544
132 HG3 GLN 18 HG3 GLN 18 2.094 -0.222 3.813
133 HE21 GLN 18 HE21 GLN 18 0.374 -1.909 3.800
134 HE22 GLN 18 HE22 GLN 18 0.435 -3.190 4.911
135 H LEU 19 H LEU 19 3.942 -1.419 -0.312
136 HA LEU 19 HA LEU 19 6.250 -3.050 -0.621
137 HB2 LEU 19 HB2 LEU 19 4.085 -2.843 -2.021
138 HB3 LEU 19 HB3 LEU 19 4.888 -1.504 -2.841
139 HG LEU 19 HG LEU 19 6.837 -3.112 -3.252
140 HD11 LEU 19 HD11 LEU 19 4.711 -5.030 -2.272
141 HD12 LEU 19 HD12 LEU 19 6.364 -4.853 -1.682
142 HD13 LEU 19 HD13 LEU 19 6.066 -5.546 -3.276
143 HD21 LEU 19 HD21 LEU 19 5.290 -2.480 -5.039
144 HD22 LEU 19 HD22 LEU 19 4.125 -3.684 -4.487
145 HD23 LEU 19 HD23 LEU 19 5.666 -4.198 -5.171
146 H LEU 20 H LEU 20 5.702 0.378 -1.439
147 HA LEU 20 HA LEU 20 8.284 0.879 -2.616
148 HB2 LEU 20 HB2 LEU 20 5.895 2.341 -1.713
149 HB3 LEU 20 HB3 LEU 20 7.383 3.269 -1.526
150 HG LEU 20 HG LEU 20 7.836 2.321 -3.987
151 HD11 LEU 20 HD11 LEU 20 4.812 2.492 -3.784
152 HD12 LEU 20 HD12 LEU 20 5.739 1.015 -4.046
153 HD13 LEU 20 HD13 LEU 20 5.731 2.280 -5.275
154 HD21 LEU 20 HD21 LEU 20 6.674 4.440 -4.828
155 HD22 LEU 20 HD22 LEU 20 7.854 4.672 -3.538
156 HD23 LEU 20 HD23 LEU 20 6.129 4.685 -3.169
157 H ARG 21 H ARG 21 7.021 1.163 0.724
158 HA ARG 21 HA ARG 21 9.301 2.395 1.927
159 HB2 ARG 21 HB2 ARG 21 7.048 0.605 2.813
160 HB3 ARG 21 HB3 ARG 21 8.333 0.996 3.955
161 HG2 ARG 21 HG2 ARG 21 6.861 3.124 2.385
162 HG3 ARG 21 HG3 ARG 21 6.313 2.566 3.965
163 HD2 ARG 21 HD2 ARG 21 9.075 3.062 4.280
164 HD3 ARG 21 HD3 ARG 21 8.441 4.438 3.356
165 HE ARG 21 HE ARG 21 6.785 4.800 5.141
166 HH11 ARG 21 HH11 ARG 21 6.601 2.093 6.323
167 HH12 ARG 21 HH12 ARG 21 7.533 2.242 7.776
168 HH21 ARG 21 HH21 ARG 21 9.132 5.158 6.764
169 HH22 ARG 21 HH22 ARG 21 8.972 3.983 8.025
170 H ARG 22 H ARG 22 8.525 -1.055 1.388
171 HA ARG 22 HA ARG 22 10.804 -2.209 2.677
172 HB2 ARG 22 HB2 ARG 22 8.576 -3.130 1.533
173 HB3 ARG 22 HB3 ARG 22 9.643 -3.332 0.152
174 HG2 ARG 22 HG2 ARG 22 11.244 -4.552 1.710
175 HG3 ARG 22 HG3 ARG 22 9.944 -4.558 2.901
176 HD2 ARG 22 HD2 ARG 22 9.770 -6.652 1.732
177 HD3 ARG 22 HD3 ARG 22 8.483 -5.631 1.065
178 HE ARG 22 HE ARG 22 11.133 -6.070 -0.267
179 HH11 ARG 22 HH21 ARG 22 8.442 -7.276 -1.173
180 HH12 ARG 22 HH22 ARG 22 8.050 -6.224 -2.491
181 HH21 ARG 22 HH11 ARG 22 10.371 -3.799 -1.597
182 HH22 ARG 22 HH12 ARG 22 9.145 -4.250 -2.734
183 H LEU 23 H LEU 23 10.252 -1.275 -0.720
184 HA LEU 23 HA LEU 23 12.814 -1.964 -1.773
185 HB2 LEU 23 HB2 LEU 23 10.596 -1.275 -2.910
186 HB3 LEU 23 HB3 LEU 23 11.115 0.389 -2.635
187 HG LEU 23 HG LEU 23 13.261 -1.221 -3.774
188 HD11 LEU 23 HD11 LEU 23 12.298 -1.633 -5.951
189 HD12 LEU 23 HD12 LEU 23 10.784 -0.859 -5.483
190 HD13 LEU 23 HD13 LEU 23 11.251 -2.396 -4.753
191 HD21 LEU 23 HD21 LEU 23 12.936 1.332 -3.642
192 HD22 LEU 23 HD22 LEU 23 11.816 1.140 -4.991
193 HD23 LEU 23 HD23 LEU 23 13.509 0.683 -5.179
194 H HIS 24 H HIS 24 11.644 1.057 -0.258
195 HA HIS 24 HA HIS 24 13.967 2.666 -0.705
196 HB2 HIS 24 HB2 HIS 24 11.669 2.588 1.230
197 HB3 HIS 24 HB3 HIS 24 12.986 3.719 1.528
198 HD1 HIS 24 HD1 HIS 24 12.163 2.947 -2.028
199 HD2 HIS 24 HD2 HIS 24 11.225 5.886 0.778
200 HE1 HIS 24 HE1 HIS 24 11.097 4.850 -3.312
201 H GLN 25 H GLN 25 13.098 0.498 2.012
202 HA GLN 25 HA GLN 25 15.379 0.995 3.662
203 HB2 GLN 25 HB2 GLN 25 13.206 -0.278 4.149
204 HB3 GLN 25 HB3 GLN 25 13.932 -1.646 3.306
205 HG2 GLN 25 HG2 GLN 25 15.828 -1.629 4.874
206 HG3 GLN 25 HG3 GLN 25 15.135 -0.239 5.710
207 HE21 GLN 25 HE21 GLN 25 14.676 -1.284 7.730
208 HE22 GLN 25 HE22 GLN 25 13.565 -2.559 7.875
209 H TRP 26 H TRP 26 14.888 -1.153 0.878
210 HA TRP 26 HA TRP 26 17.364 -2.618 1.087
211 HB2 TRP 26 HB2 TRP 26 15.160 -2.992 -0.285
212 HB3 TRP 26 HB3 TRP 26 15.935 -1.961 -1.487
213 HD1 TRP 26 HD1 TRP 26 16.255 -5.359 0.213
214 HE1 TRP 26 HE1 TRP 26 17.918 -6.805 -1.128
215 HE3 TRP 26 HE3 TRP 26 17.985 -1.877 -3.094
216 HZ2 TRP 26 HZ2 TRP 26 19.741 -6.520 -3.315
217 HZ3 TRP 26 HZ3 TRP 26 19.681 -2.488 -4.795
218 HH2 TRP 26 HH2 TRP 26 20.560 -4.803 -4.909
219 H ILE 27 H ILE 27 16.517 0.548 -0.220
220 HA ILE 27 HA ILE 27 19.043 0.872 -1.695
221 HB ILE 27 HB ILE 27 16.826 2.815 -0.948
222 HG12 ILE 27 HG12 ILE 27 15.939 0.987 -2.291
223 HG13 ILE 27 HG13 ILE 27 16.080 2.415 -3.312
224 HG21 ILE 27 HG21 ILE 27 17.732 4.034 -3.000
225 HG22 ILE 27 HG22 ILE 27 19.143 2.982 -2.887
226 HG23 ILE 27 HG23 ILE 27 18.755 4.082 -1.564
227 HD11 ILE 27 HD11 ILE 27 16.966 0.604 -4.596
228 HD12 ILE 27 HD12 ILE 27 17.909 0.008 -3.231
229 HD13 ILE 27 HD13 ILE 27 18.363 1.517 -4.023
230 H SER 28 H SER 28 17.586 2.154 1.320
231 HA SER 28 HA SER 28 20.320 2.723 2.347
232 HB2 SER 28 HB2 SER 28 19.432 5.038 3.003
233 HB3 SER 28 HB3 SER 28 19.750 4.786 1.290
234 HG SER 28 HG SER 28 17.743 5.436 1.122
Start of MODEL 17
1 H1 SER 1 H1 SER 1 -21.956 -4.515 -0.018
2 H2 SER 1 H2 SER 1 -20.396 -3.929 -0.356
3 H3 SER 1 H3 SER 1 -21.599 -3.893 -1.556
4 HA SER 1 HA SER 1 -22.843 -2.230 -0.377
5 HB2 SER 1 HB2 SER 1 -20.737 -2.806 1.729
6 HB3 SER 1 HB3 SER 1 -21.877 -1.468 1.833
7 HG SER 1 HG SER 1 -22.935 -3.050 2.842
8 H ASP 2 H ASP 2 -22.349 -0.032 -0.794
9 HA ASP 2 HA ASP 2 -20.086 0.571 -2.443
10 HB2 ASP 2 HB2 ASP 2 -22.314 1.737 -2.359
11 HB3 ASP 2 HB3 ASP 2 -21.838 2.445 -0.815
12 H ALA 3 H ALA 3 -20.776 1.652 0.921
13 HA ALA 3 HA ALA 3 -18.309 2.924 1.466
14 HB1 ALA 3 HB1 ALA 3 -20.155 1.314 3.262
15 HB2 ALA 3 HB2 ALA 3 -20.306 3.032 2.891
16 HB3 ALA 3 HB3 ALA 3 -18.936 2.450 3.838
17 H ALA 4 H ALA 4 -19.190 -0.524 1.736
18 HA ALA 4 HA ALA 4 -16.779 -1.454 2.978
19 HB1 ALA 4 HB1 ALA 4 -18.618 -2.846 1.002
20 HB2 ALA 4 HB2 ALA 4 -18.943 -2.691 2.730
21 HB3 ALA 4 HB3 ALA 4 -17.560 -3.634 2.172
22 H ALA 5 H ALA 5 -17.684 -1.004 -0.450
23 HA ALA 5 HA ALA 5 -15.302 -2.126 -1.602
24 HB1 ALA 5 HB1 ALA 5 -16.184 -1.248 -3.599
25 HB2 ALA 5 HB2 ALA 5 -16.839 0.176 -2.793
26 HB3 ALA 5 HB3 ALA 5 -17.627 -1.389 -2.596
27 H ARG 6 H ARG 6 -16.089 1.114 -0.369
28 HA ARG 6 HA ARG 6 -13.741 2.457 -1.347
29 HB2 ARG 6 HB2 ARG 6 -15.477 2.931 1.100
30 HB3 ARG 6 HB3 ARG 6 -14.350 4.107 0.425
31 HG2 ARG 6 HG2 ARG 6 -16.073 3.105 -1.663
32 HG3 ARG 6 HG3 ARG 6 -17.049 3.699 -0.319
33 HD2 ARG 6 HD2 ARG 6 -15.444 5.767 -0.377
34 HD3 ARG 6 HD3 ARG 6 -15.073 5.209 -2.022
35 HE ARG 6 HE ARG 6 -17.752 6.076 -1.062
36 HH11 ARG 6 HH21 ARG 6 -18.046 3.782 -2.933
37 HH12 ARG 6 HH22 ARG 6 -18.118 4.560 -4.477
38 HH21 ARG 6 HH11 ARG 6 -16.811 7.565 -3.311
39 HH22 ARG 6 HH12 ARG 6 -17.411 6.712 -4.693
40 H VAL 7 H VAL 7 -14.444 0.596 1.552
41 HA VAL 7 HA VAL 7 -11.997 1.092 2.979
42 HB VAL 7 HB VAL 7 -13.892 -1.290 2.924
43 HG11 VAL 7 HG11 VAL 7 -12.968 -1.596 5.296
44 HG12 VAL 7 HG12 VAL 7 -11.663 -0.511 4.814
45 HG13 VAL 7 HG13 VAL 7 -11.889 -2.046 3.974
46 HG21 VAL 7 HG21 VAL 7 -13.971 1.399 4.140
47 HG22 VAL 7 HG22 VAL 7 -14.320 0.087 5.265
48 HG23 VAL 7 HG23 VAL 7 -15.290 0.277 3.806
49 H THR 8 H THR 8 -12.961 -1.313 0.528
50 HA THR 8 HA THR 8 -10.515 -2.837 0.565
51 HB THR 8 HB THR 8 -12.492 -2.410 -1.694
52 HG1 THR 8 HG1 THR 8 -13.864 -3.404 -0.481
53 HG21 THR 8 HG21 THR 8 -10.393 -3.639 -2.247
54 HG22 THR 8 HG22 THR 8 -11.830 -4.651 -2.383
55 HG23 THR 8 HG23 THR 8 -10.775 -4.803 -0.977
56 H ALA 9 H ALA 9 -11.613 -0.026 -1.282
57 HA ALA 9 HA ALA 9 -9.423 0.118 -3.124
58 HB1 ALA 9 HB1 ALA 9 -10.199 2.592 -3.156
59 HB2 ALA 9 HB2 ALA 9 -11.409 2.080 -1.979
60 HB3 ALA 9 HB3 ALA 9 -11.390 1.365 -3.590
61 H ILE 10 H ILE 10 -9.904 1.546 0.078
62 HA ILE 10 HA ILE 10 -7.501 3.103 0.193
63 HB ILE 10 HB ILE 10 -9.144 1.679 2.322
64 HG12 ILE 10 HG12 ILE 10 -9.092 4.641 1.783
65 HG13 ILE 10 HG13 ILE 10 -10.081 3.589 0.770
66 HG21 ILE 10 HG21 ILE 10 -8.024 3.677 3.691
67 HG22 ILE 10 HG22 ILE 10 -6.746 3.463 2.494
68 HG23 ILE 10 HG23 ILE 10 -7.219 2.116 3.531
69 HD11 ILE 10 HD11 ILE 10 -10.332 4.169 3.706
70 HD12 ILE 10 HD12 ILE 10 -10.912 2.628 3.074
71 HD13 ILE 10 HD13 ILE 10 -11.585 4.140 2.466
72 H LEU 11 H LEU 11 -8.202 -0.292 0.987
73 HA LEU 11 HA LEU 11 -5.630 -1.003 2.023
74 HB2 LEU 11 HB2 LEU 11 -8.002 -2.184 1.947
75 HB3 LEU 11 HB3 LEU 11 -7.360 -2.898 0.468
76 HG LEU 11 HG LEU 11 -5.289 -3.517 1.870
77 HD11 LEU 11 HD11 LEU 11 -5.888 -3.819 4.324
78 HD12 LEU 11 HD12 LEU 11 -7.277 -2.772 4.031
79 HD13 LEU 11 HD13 LEU 11 -5.641 -2.149 3.813
80 HD21 LEU 11 HD21 LEU 11 -6.355 -5.567 2.664
81 HD22 LEU 11 HD22 LEU 11 -7.053 -5.120 1.108
82 HD23 LEU 11 HD23 LEU 11 -7.942 -4.802 2.597
83 H SER 12 H SER 12 -6.965 -0.992 -1.258
84 HA SER 12 HA SER 12 -4.840 -2.314 -2.628
85 HB2 SER 12 HB2 SER 12 -6.716 -0.084 -3.479
86 HB3 SER 12 HB3 SER 12 -5.757 -1.054 -4.592
87 HG SER 12 HG SER 12 -7.344 -2.417 -4.489
88 H SER 13 H SER 13 -5.302 1.155 -1.874
89 HA SER 13 HA SER 13 -2.814 1.999 -3.130
90 HB2 SER 13 HB2 SER 13 -4.946 3.157 -1.371
91 HB3 SER 13 HB3 SER 13 -3.425 4.032 -1.515
92 HG SER 13 HG SER 13 -3.902 4.515 -3.519
93 H LEU 14 H LEU 14 -3.791 1.061 0.154
94 HA LEU 14 HA LEU 14 -1.494 1.920 1.601
95 HB2 LEU 14 HB2 LEU 14 -3.851 0.321 1.958
96 HB3 LEU 14 HB3 LEU 14 -2.481 -0.559 2.633
97 HG LEU 14 HG LEU 14 -1.836 1.485 3.908
98 HD11 LEU 14 HD11 LEU 14 -4.364 2.537 2.622
99 HD12 LEU 14 HD12 LEU 14 -2.754 3.252 2.589
100 HD13 LEU 14 HD13 LEU 14 -3.687 3.248 4.086
101 HD21 LEU 14 HD21 LEU 14 -3.213 -0.216 4.998
102 HD22 LEU 14 HD22 LEU 14 -4.676 0.489 4.311
103 HD23 LEU 14 HD23 LEU 14 -3.746 1.383 5.514
104 H THR 15 H THR 15 -2.119 -1.190 -0.086
105 HA THR 15 HA THR 15 0.339 -2.471 0.648
106 HB THR 15 HB THR 15 -0.238 -3.616 -1.715
107 HG1 THR 15 HG1 THR 15 -1.761 -2.156 -2.386
108 HG21 THR 15 HG21 THR 15 -1.938 -4.988 -0.483
109 HG22 THR 15 HG22 THR 15 -1.860 -3.814 0.831
110 HG23 THR 15 HG23 THR 15 -0.433 -4.759 0.406
111 H VAL 16 H VAL 16 -0.503 -0.348 -2.095
112 HA VAL 16 HA VAL 16 1.948 -0.565 -3.551
113 HB VAL 16 HB VAL 16 -0.040 1.712 -3.199
114 HG11 VAL 16 HG11 VAL 16 0.871 2.447 -5.447
115 HG12 VAL 16 HG12 VAL 16 2.193 1.305 -5.208
116 HG13 VAL 16 HG13 VAL 16 1.987 2.660 -4.098
117 HG21 VAL 16 HG21 VAL 16 -1.347 0.222 -4.314
118 HG22 VAL 16 HG22 VAL 16 0.027 -0.793 -4.752
119 HG23 VAL 16 HG23 VAL 16 -0.360 0.633 -5.716
120 H THR 17 H THR 17 0.971 1.614 -0.883
121 HA THR 17 HA THR 17 3.397 3.162 -0.792
122 HB THR 17 HB THR 17 1.561 2.466 1.521
123 HG1 THR 17 HG1 THR 17 1.187 4.309 -0.604
124 HG21 THR 17 HG21 THR 17 3.497 3.809 2.123
125 HG22 THR 17 HG22 THR 17 2.060 4.830 2.154
126 HG23 THR 17 HG23 THR 17 3.178 4.923 0.794
127 H GLN 18 H GLN 18 2.384 0.152 0.848
128 HA GLN 18 HA GLN 18 4.662 -0.116 2.561
129 HB2 GLN 18 HB2 GLN 18 2.328 -1.618 1.738
130 HB3 GLN 18 HB3 GLN 18 3.730 -2.684 1.836
131 HG2 GLN 18 HG2 GLN 18 3.203 -0.724 4.053
132 HG3 GLN 18 HG3 GLN 18 2.298 -2.236 3.994
133 HE21 GLN 18 HE21 GLN 18 5.664 -0.965 4.057
134 HE22 GLN 18 HE22 GLN 18 6.335 -2.357 4.758
135 H LEU 19 H LEU 19 4.056 -1.175 -0.752
136 HA LEU 19 HA LEU 19 6.405 -2.753 -1.157
137 HB2 LEU 19 HB2 LEU 19 4.268 -2.292 -2.613
138 HB3 LEU 19 HB3 LEU 19 5.200 -0.938 -3.249
139 HG LEU 19 HG LEU 19 6.501 -3.636 -3.128
140 HD11 LEU 19 HD11 LEU 19 5.548 -4.279 -5.262
141 HD12 LEU 19 HD12 LEU 19 4.654 -2.763 -5.369
142 HD13 LEU 19 HD13 LEU 19 4.222 -3.957 -4.144
143 HD21 LEU 19 HD21 LEU 19 6.743 -1.071 -4.651
144 HD22 LEU 19 HD22 LEU 19 7.239 -2.558 -5.460
145 HD23 LEU 19 HD23 LEU 19 8.007 -2.079 -3.947
146 H LEU 20 H LEU 20 5.801 0.745 -1.487
147 HA LEU 20 HA LEU 20 8.405 1.493 -2.456
148 HB2 LEU 20 HB2 LEU 20 6.004 2.705 -2.112
149 HB3 LEU 20 HB3 LEU 20 6.845 3.323 -0.691
150 HG LEU 20 HG LEU 20 8.244 3.389 -3.345
151 HD11 LEU 20 HD11 LEU 20 6.160 5.380 -2.394
152 HD12 LEU 20 HD12 LEU 20 6.049 4.358 -3.826
153 HD13 LEU 20 HD13 LEU 20 7.258 5.640 -3.749
154 HD21 LEU 20 HD21 LEU 20 9.612 4.084 -1.550
155 HD22 LEU 20 HD22 LEU 20 8.287 4.926 -0.747
156 HD23 LEU 20 HD23 LEU 20 9.006 5.603 -2.209
157 H ARG 21 H ARG 21 7.023 1.164 0.824
158 HA ARG 21 HA ARG 21 9.213 2.215 2.331
159 HB2 ARG 21 HB2 ARG 21 7.073 0.129 2.834
160 HB3 ARG 21 HB3 ARG 21 8.219 0.596 4.089
161 HG2 ARG 21 HG2 ARG 21 7.315 3.031 3.059
162 HG3 ARG 21 HG3 ARG 21 5.869 2.023 3.112
163 HD2 ARG 21 HD2 ARG 21 7.641 1.907 5.512
164 HD3 ARG 21 HD3 ARG 21 6.720 3.403 5.271
165 HE ARG 21 HE ARG 21 4.965 1.206 4.795
166 HH11 ARG 21 HH21 ARG 21 4.350 3.486 6.640
167 HH12 ARG 21 HH22 ARG 21 4.287 2.700 8.182
168 HH21 ARG 21 HH11 ARG 21 5.922 -0.163 7.087
169 HH22 ARG 21 HH12 ARG 21 5.180 0.629 8.437
170 H ARG 22 H ARG 22 8.508 -1.128 1.263
171 HA ARG 22 HA ARG 22 10.783 -2.420 2.401
172 HB2 ARG 22 HB2 ARG 22 8.724 -2.898 0.335
173 HB3 ARG 22 HB3 ARG 22 10.222 -3.794 0.075
174 HG2 ARG 22 HG2 ARG 22 10.036 -4.957 2.098
175 HG3 ARG 22 HG3 ARG 22 8.969 -3.745 2.809
176 HD2 ARG 22 HD2 ARG 22 7.413 -5.410 2.304
177 HD3 ARG 22 HD3 ARG 22 7.375 -4.494 0.786
178 HE ARG 22 HE ARG 22 9.492 -6.301 0.483
179 HH11 ARG 22 HH11 ARG 22 7.732 -8.056 2.221
180 HH12 ARG 22 HH12 ARG 22 6.797 -8.895 1.029
181 HH21 ARG 22 HH21 ARG 22 7.588 -6.681 -1.531
182 HH22 ARG 22 HH22 ARG 22 6.714 -8.113 -1.103
183 H LEU 23 H LEU 23 10.343 -0.810 -0.760
184 HA LEU 23 HA LEU 23 12.887 -1.454 -1.904
185 HB2 LEU 23 HB2 LEU 23 10.806 -0.462 -2.985
186 HB3 LEU 23 HB3 LEU 23 11.257 1.082 -2.263
187 HG LEU 23 HG LEU 23 13.519 -0.146 -3.624
188 HD11 LEU 23 HD11 LEU 23 11.715 -1.110 -5.035
189 HD12 LEU 23 HD12 LEU 23 12.671 0.082 -5.914
190 HD13 LEU 23 HD13 LEU 23 11.075 0.512 -5.299
191 HD21 LEU 23 HD21 LEU 23 13.745 2.061 -4.535
192 HD22 LEU 23 HD22 LEU 23 13.146 2.273 -2.890
193 HD23 LEU 23 HD23 LEU 23 12.042 2.422 -4.257
194 H HIS 24 H HIS 24 11.832 1.313 0.104
195 HA HIS 24 HA HIS 24 14.298 2.770 0.085
196 HB2 HIS 24 HB2 HIS 24 12.075 3.616 0.807
197 HB3 HIS 24 HB3 HIS 24 12.131 2.543 2.205
198 HD1 HIS 24 HD1 HIS 24 13.698 5.660 0.797
199 HD2 HIS 24 HD2 HIS 24 13.870 3.383 4.285
200 HE1 HIS 24 HE1 HIS 24 14.991 7.035 2.487
201 H GLN 25 H GLN 25 13.072 0.187 2.216
202 HA GLN 25 HA GLN 25 15.231 0.230 4.124
203 HB2 GLN 25 HB2 GLN 25 13.373 -1.997 3.210
204 HB3 GLN 25 HB3 GLN 25 14.318 -2.012 4.699
205 HG2 GLN 25 HG2 GLN 25 12.856 0.457 4.573
206 HG3 GLN 25 HG3 GLN 25 11.738 -0.875 4.279
207 HE21 GLN 25 HE21 GLN 25 11.792 -2.692 5.948
208 HE22 GLN 25 HE22 GLN 25 12.183 -2.295 7.551
209 H TRP 26 H TRP 26 14.758 -1.472 1.036
210 HA TRP 26 HA TRP 26 17.027 -3.231 1.202
211 HB2 TRP 26 HB2 TRP 26 14.941 -3.090 -0.397
212 HB3 TRP 26 HB3 TRP 26 15.978 -2.037 -1.358
213 HD1 TRP 26 HD1 TRP 26 18.417 -3.121 -2.076
214 HE1 TRP 26 HE1 TRP 26 18.975 -5.551 -2.727
215 HE3 TRP 26 HE3 TRP 26 14.373 -5.522 -0.083
216 HZ2 TRP 26 HZ2 TRP 26 17.855 -8.169 -2.442
217 HZ3 TRP 26 HZ3 TRP 26 14.144 -7.980 -0.287
218 HH2 TRP 26 HH2 TRP 26 15.878 -9.306 -1.462
219 H ILE 27 H ILE 27 16.655 0.128 0.126
220 HA ILE 27 HA ILE 27 19.363 0.333 -0.972
221 HB ILE 27 HB ILE 27 17.217 2.356 -0.236
222 HG12 ILE 27 HG12 ILE 27 18.004 1.617 -3.035
223 HG13 ILE 27 HG13 ILE 27 16.969 0.510 -2.133
224 HG21 ILE 27 HG21 ILE 27 18.515 3.847 -1.816
225 HG22 ILE 27 HG22 ILE 27 19.818 2.660 -1.762
226 HG23 ILE 27 HG23 ILE 27 19.336 3.508 -0.293
227 HD11 ILE 27 HD11 ILE 27 15.361 1.879 -3.083
228 HD12 ILE 27 HD12 ILE 27 16.407 3.299 -3.061
229 HD13 ILE 27 HD13 ILE 27 15.644 2.741 -1.571
230 H SER 28 H SER 28 17.797 0.971 2.135
231 HA SER 28 HA SER 28 20.032 2.504 3.238
232 HB2 SER 28 HB2 SER 28 17.529 1.216 4.357
233 HB3 SER 28 HB3 SER 28 18.651 2.140 5.352
234 HG SER 28 HG SER 28 16.935 2.975 3.303
Start of MODEL 18
1 H1 SER 1 H1 SER 1 -23.376 -0.200 -2.949
2 H2 SER 1 H2 SER 1 -23.246 -0.518 -1.284
3 H3 SER 1 H3 SER 1 -23.794 -1.729 -2.343
4 HA SER 1 HA SER 1 -21.423 -2.001 -1.603
5 HB2 SER 1 HB2 SER 1 -21.944 -1.571 -4.564
6 HB3 SER 1 HB3 SER 1 -20.807 -2.710 -3.847
7 HG SER 1 HG SER 1 -22.958 -3.527 -4.519
8 H ASP 2 H ASP 2 -21.276 0.508 -0.778
9 HA ASP 2 HA ASP 2 -19.261 1.834 -2.566
10 HB2 ASP 2 HB2 ASP 2 -21.508 3.024 -0.906
11 HB3 ASP 2 HB3 ASP 2 -20.277 3.978 -1.736
12 H ALA 3 H ALA 3 -20.513 1.802 0.811
13 HA ALA 3 HA ALA 3 -18.211 2.972 2.033
14 HB1 ALA 3 HB1 ALA 3 -19.181 1.809 4.081
15 HB2 ALA 3 HB2 ALA 3 -20.350 1.052 3.000
16 HB3 ALA 3 HB3 ALA 3 -20.324 2.806 3.183
17 H ALA 4 H ALA 4 -19.106 -0.494 1.720
18 HA ALA 4 HA ALA 4 -16.713 -1.562 2.877
19 HB1 ALA 4 HB1 ALA 4 -18.592 -2.699 0.779
20 HB2 ALA 4 HB2 ALA 4 -18.842 -2.781 2.523
21 HB3 ALA 4 HB3 ALA 4 -17.491 -3.640 1.784
22 H ALA 5 H ALA 5 -17.553 -0.751 -0.502
23 HA ALA 5 HA ALA 5 -15.203 -1.820 -1.744
24 HB1 ALA 5 HB1 ALA 5 -17.358 -1.053 -2.826
25 HB2 ALA 5 HB2 ALA 5 -15.909 -0.431 -3.616
26 HB3 ALA 5 HB3 ALA 5 -16.844 0.610 -2.541
27 H ARG 6 H ARG 6 -15.897 1.420 -0.389
28 HA ARG 6 HA ARG 6 -13.421 2.651 -1.116
29 HB2 ARG 6 HB2 ARG 6 -15.720 3.120 0.644
30 HB3 ARG 6 HB3 ARG 6 -14.224 3.782 1.302
31 HG2 ARG 6 HG2 ARG 6 -15.179 5.506 -0.061
32 HG3 ARG 6 HG3 ARG 6 -13.825 4.844 -0.976
33 HD2 ARG 6 HD2 ARG 6 -15.257 4.430 -2.683
34 HD3 ARG 6 HD3 ARG 6 -16.095 3.262 -1.644
35 HE ARG 6 HE ARG 6 -17.634 5.011 -0.973
36 HH11 ARG 6 HH21 ARG 6 -15.879 7.388 -0.994
37 HH12 ARG 6 HH22 ARG 6 -16.390 8.238 -2.413
38 HH21 ARG 6 HH11 ARG 6 -18.019 5.490 -3.788
39 HH22 ARG 6 HH12 ARG 6 -17.607 7.158 -4.002
40 H VAL 7 H VAL 7 -14.345 0.648 1.624
41 HA VAL 7 HA VAL 7 -11.956 0.956 3.195
42 HB VAL 7 HB VAL 7 -13.953 -1.320 2.891
43 HG11 VAL 7 HG11 VAL 7 -13.112 -1.835 5.280
44 HG12 VAL 7 HG12 VAL 7 -11.710 -0.850 4.860
45 HG13 VAL 7 HG13 VAL 7 -12.071 -2.310 3.938
46 HG21 VAL 7 HG21 VAL 7 -15.294 -0.179 4.330
47 HG22 VAL 7 HG22 VAL 7 -14.342 1.231 3.867
48 HG23 VAL 7 HG23 VAL 7 -13.935 0.334 5.329
49 H THR 8 H THR 8 -12.873 -1.256 0.546
50 HA THR 8 HA THR 8 -10.472 -2.854 0.607
51 HB THR 8 HB THR 8 -12.336 -2.232 -1.705
52 HG1 THR 8 HG1 THR 8 -13.768 -3.358 -0.685
53 HG21 THR 8 HG21 THR 8 -10.747 -4.738 -1.101
54 HG22 THR 8 HG22 THR 8 -10.199 -3.474 -2.202
55 HG23 THR 8 HG23 THR 8 -11.666 -4.386 -2.564
56 H ALA 9 H ALA 9 -11.395 0.111 -1.077
57 HA ALA 9 HA ALA 9 -9.107 0.303 -2.802
58 HB1 ALA 9 HB1 ALA 9 -9.843 2.842 -2.575
59 HB2 ALA 9 HB2 ALA 9 -11.213 2.138 -1.715
60 HB3 ALA 9 HB3 ALA 9 -10.894 1.684 -3.389
61 H ILE 10 H ILE 10 -9.739 1.511 0.460
62 HA ILE 10 HA ILE 10 -7.363 3.047 0.847
63 HB ILE 10 HB ILE 10 -9.134 1.407 2.694
64 HG12 ILE 10 HG12 ILE 10 -8.903 4.410 2.558
65 HG13 ILE 10 HG13 ILE 10 -9.908 3.542 1.398
66 HG21 ILE 10 HG21 ILE 10 -8.072 2.950 4.484
67 HG22 ILE 10 HG22 ILE 10 -6.769 3.178 3.316
68 HG23 ILE 10 HG23 ILE 10 -7.127 1.566 3.935
69 HD11 ILE 10 HD11 ILE 10 -11.459 3.934 3.079
70 HD12 ILE 10 HD12 ILE 10 -10.250 3.828 4.360
71 HD13 ILE 10 HD13 ILE 10 -10.838 2.361 3.578
72 H LEU 11 H LEU 11 -8.031 -0.422 1.312
73 HA LEU 11 HA LEU 11 -5.438 -1.158 2.318
74 HB2 LEU 11 HB2 LEU 11 -7.804 -2.355 2.204
75 HB3 LEU 11 HB3 LEU 11 -7.161 -2.995 0.691
76 HG LEU 11 HG LEU 11 -5.433 -3.118 3.135
77 HD11 LEU 11 HD11 LEU 11 -7.560 -3.970 3.963
78 HD12 LEU 11 HD12 LEU 11 -6.467 -5.327 3.693
79 HD13 LEU 11 HD13 LEU 11 -7.750 -4.983 2.532
80 HD21 LEU 11 HD21 LEU 11 -5.804 -4.605 0.549
81 HD22 LEU 11 HD22 LEU 11 -5.034 -5.421 1.911
82 HD23 LEU 11 HD23 LEU 11 -4.327 -3.946 1.253
83 H SER 12 H SER 12 -6.838 -1.056 -0.933
84 HA SER 12 HA SER 12 -4.679 -2.238 -2.386
85 HB2 SER 12 HB2 SER 12 -6.838 -0.220 -3.027
86 HB3 SER 12 HB3 SER 12 -5.706 -0.776 -4.256
87 HG SER 12 HG SER 12 -7.808 -2.082 -3.037
88 H SER 13 H SER 13 -5.323 1.174 -1.508
89 HA SER 13 HA SER 13 -3.062 2.341 -2.826
90 HB2 SER 13 HB2 SER 13 -4.598 3.103 -0.317
91 HB3 SER 13 HB3 SER 13 -3.480 4.175 -1.156
92 HG SER 13 HG SER 13 -4.886 4.412 -2.742
93 H LEU 14 H LEU 14 -3.477 0.921 0.415
94 HA LEU 14 HA LEU 14 -0.903 1.567 1.491
95 HB2 LEU 14 HB2 LEU 14 -3.196 -0.181 2.046
96 HB3 LEU 14 HB3 LEU 14 -1.669 -0.895 2.560
97 HG LEU 14 HG LEU 14 -1.488 1.786 3.354
98 HD11 LEU 14 HD11 LEU 14 -3.835 2.186 3.047
99 HD12 LEU 14 HD12 LEU 14 -3.582 1.967 4.778
100 HD13 LEU 14 HD13 LEU 14 -4.259 0.655 3.814
101 HD21 LEU 14 HD21 LEU 14 -0.612 -0.074 4.635
102 HD22 LEU 14 HD22 LEU 14 -2.228 -0.739 4.865
103 HD23 LEU 14 HD23 LEU 14 -1.777 0.774 5.650
104 H THR 15 H THR 15 -2.062 -1.257 -0.379
105 HA THR 15 HA THR 15 0.257 -2.870 -0.344
106 HB THR 15 HB THR 15 -1.687 -2.336 -2.621
107 HG1 THR 15 HG1 THR 15 -3.047 -3.165 -1.271
108 HG21 THR 15 HG21 THR 15 0.053 -4.732 -1.979
109 HG22 THR 15 HG22 THR 15 0.248 -3.641 -3.350
110 HG23 THR 15 HG23 THR 15 -1.170 -4.684 -3.247
111 H VAL 16 H VAL 16 -0.553 -0.132 -2.500
112 HA VAL 16 HA VAL 16 1.800 -0.285 -4.153
113 HB VAL 16 HB VAL 16 -0.015 2.035 -3.390
114 HG11 VAL 16 HG11 VAL 16 2.143 1.700 -5.464
115 HG12 VAL 16 HG12 VAL 16 1.843 3.065 -4.389
116 HG13 VAL 16 HG13 VAL 16 0.782 2.780 -5.768
117 HG21 VAL 16 HG21 VAL 16 -0.886 1.422 -5.787
118 HG22 VAL 16 HG22 VAL 16 -1.413 0.451 -4.414
119 HG23 VAL 16 HG23 VAL 16 -0.132 -0.140 -5.471
120 H THR 17 H THR 17 1.034 1.607 -1.208
121 HA THR 17 HA THR 17 3.567 2.975 -1.031
122 HB THR 17 HB THR 17 1.675 2.173 1.206
123 HG1 THR 17 HG1 THR 17 0.282 3.452 0.333
124 HG21 THR 17 HG21 THR 17 2.602 3.912 2.435
125 HG22 THR 17 HG22 THR 17 3.135 4.782 0.997
126 HG23 THR 17 HG23 THR 17 4.015 3.354 1.540
127 H GLN 18 H GLN 18 2.355 -0.103 0.311
128 HA GLN 18 HA GLN 18 4.538 -0.759 1.995
129 HB2 GLN 18 HB2 GLN 18 2.265 -2.074 0.678
130 HB3 GLN 18 HB3 GLN 18 3.626 -3.161 0.947
131 HG2 GLN 18 HG2 GLN 18 2.534 -3.372 2.980
132 HG3 GLN 18 HG3 GLN 18 3.623 -2.038 3.353
133 HE21 GLN 18 HE21 GLN 18 2.654 0.221 3.122
134 HE22 GLN 18 HE22 GLN 18 0.991 0.416 3.394
135 H LEU 19 H LEU 19 4.074 -1.329 -1.469
136 HA LEU 19 HA LEU 19 6.431 -2.863 -1.986
137 HB2 LEU 19 HB2 LEU 19 4.724 -0.928 -3.569
138 HB3 LEU 19 HB3 LEU 19 6.122 -1.710 -4.305
139 HG LEU 19 HG LEU 19 4.190 -3.443 -2.825
140 HD11 LEU 19 HD11 LEU 19 2.677 -3.576 -4.704
141 HD12 LEU 19 HD12 LEU 19 3.682 -2.483 -5.655
142 HD13 LEU 19 HD13 LEU 19 2.810 -1.879 -4.246
143 HD21 LEU 19 HD21 LEU 19 6.363 -4.179 -3.968
144 HD22 LEU 19 HD22 LEU 19 5.556 -3.835 -5.498
145 HD23 LEU 19 HD23 LEU 19 4.911 -5.073 -4.420
146 H LEU 20 H LEU 20 5.854 0.662 -2.081
147 HA LEU 20 HA LEU 20 8.566 1.437 -2.677
148 HB2 LEU 20 HB2 LEU 20 6.147 2.648 -2.618
149 HB3 LEU 20 HB3 LEU 20 6.769 3.187 -1.057
150 HG LEU 20 HG LEU 20 8.547 3.384 -3.464
151 HD11 LEU 20 HD11 LEU 20 6.491 4.388 -4.268
152 HD12 LEU 20 HD12 LEU 20 7.615 5.684 -3.856
153 HD13 LEU 20 HD13 LEU 20 6.291 5.283 -2.761
154 HD21 LEU 20 HD21 LEU 20 8.275 4.587 -0.748
155 HD22 LEU 20 HD22 LEU 20 8.917 5.626 -2.019
156 HD23 LEU 20 HD23 LEU 20 9.729 4.111 -1.626
157 H ARG 21 H ARG 21 6.754 0.943 0.358
158 HA ARG 21 HA ARG 21 8.658 1.934 2.225
159 HB2 ARG 21 HB2 ARG 21 6.176 0.798 2.279
160 HB3 ARG 21 HB3 ARG 21 7.149 -0.533 2.905
161 HG2 ARG 21 HG2 ARG 21 7.743 0.613 4.812
162 HG3 ARG 21 HG3 ARG 21 7.680 2.184 4.014
163 HD2 ARG 21 HD2 ARG 21 5.809 2.049 5.575
164 HD3 ARG 21 HD3 ARG 21 5.154 1.941 3.929
165 HE ARG 21 HE ARG 21 4.585 -0.318 4.359
166 HH11 ARG 21 HH11 ARG 21 4.391 0.386 7.269
167 HH12 ARG 21 HH12 ARG 21 5.420 -0.798 8.000
168 HH21 ARG 21 HH21 ARG 21 6.984 -1.660 5.017
169 HH22 ARG 21 HH22 ARG 21 6.892 -1.964 6.718
170 H ARG 22 H ARG 22 8.373 -1.285 0.700
171 HA ARG 22 HA ARG 22 10.505 -2.563 2.160
172 HB2 ARG 22 HB2 ARG 22 8.960 -2.980 -0.378
173 HB3 ARG 22 HB3 ARG 22 10.413 -3.946 -0.123
174 HG2 ARG 22 HG2 ARG 22 9.520 -4.653 2.093
175 HG3 ARG 22 HG3 ARG 22 8.041 -3.751 1.755
176 HD2 ARG 22 HD2 ARG 22 8.240 -5.259 -0.521
177 HD3 ARG 22 HD3 ARG 22 8.926 -6.366 0.686
178 HE ARG 22 HE ARG 22 6.160 -5.341 0.666
179 HH11 ARG 22 HH21 ARG 22 6.672 -8.191 1.156
180 HH12 ARG 22 HH22 ARG 22 6.558 -8.329 2.878
181 HH21 ARG 22 HH11 ARG 22 6.904 -4.915 3.437
182 HH22 ARG 22 HH12 ARG 22 6.686 -6.468 4.173
183 H LEU 23 H LEU 23 10.403 -0.911 -1.009
184 HA LEU 23 HA LEU 23 13.120 -1.251 -1.780
185 HB2 LEU 23 HB2 LEU 23 11.152 -0.368 -3.113
186 HB3 LEU 23 HB3 LEU 23 11.324 1.155 -2.242
187 HG LEU 23 HG LEU 23 13.872 0.231 -3.328
188 HD11 LEU 23 HD11 LEU 23 12.528 -0.737 -5.103
189 HD12 LEU 23 HD12 LEU 23 13.253 0.753 -5.707
190 HD13 LEU 23 HD13 LEU 23 11.558 0.731 -5.223
191 HD21 LEU 23 HD21 LEU 23 12.279 2.731 -3.953
192 HD22 LEU 23 HD22 LEU 23 14.029 2.523 -4.017
193 HD23 LEU 23 HD23 LEU 23 13.200 2.535 -2.461
194 H HIS 24 H HIS 24 11.574 1.299 0.197
195 HA HIS 24 HA HIS 24 13.920 2.915 0.594
196 HB2 HIS 24 HB2 HIS 24 11.277 3.155 1.084
197 HB3 HIS 24 HB3 HIS 24 11.816 2.703 2.701
198 HD1 HIS 24 HD1 HIS 24 14.148 4.172 3.405
199 HD2 HIS 24 HD2 HIS 24 11.441 5.878 0.732
200 HE1 HIS 24 HE1 HIS 24 14.600 6.664 3.421
201 H GLN 25 H GLN 25 12.527 0.189 2.427
202 HA GLN 25 HA GLN 25 14.262 0.256 4.695
203 HB2 GLN 25 HB2 GLN 25 12.108 -1.109 4.126
204 HB3 GLN 25 HB3 GLN 25 13.222 -2.266 3.399
205 HG2 GLN 25 HG2 GLN 25 13.436 -3.139 5.475
206 HG3 GLN 25 HG3 GLN 25 14.407 -1.715 5.846
207 HE21 GLN 25 HE21 GLN 25 13.684 -0.695 7.720
208 HE22 GLN 25 HE22 GLN 25 12.067 -0.611 8.225
209 H TRP 26 H TRP 26 14.650 -1.193 1.470
210 HA TRP 26 HA TRP 26 17.109 -2.614 2.030
211 HB2 TRP 26 HB2 TRP 26 15.590 -3.153 0.176
212 HB3 TRP 26 HB3 TRP 26 15.841 -1.553 -0.521
213 HD1 TRP 26 HD1 TRP 26 17.658 -4.868 0.109
214 HE1 TRP 26 HE1 TRP 26 19.696 -4.999 -1.466
215 HE3 TRP 26 HE3 TRP 26 17.509 -0.185 -1.915
216 HZ2 TRP 26 HZ2 TRP 26 21.079 -3.334 -3.338
217 HZ3 TRP 26 HZ3 TRP 26 19.194 0.519 -3.589
218 HH2 TRP 26 HH2 TRP 26 20.979 -1.049 -4.303
219 H ILE 27 H ILE 27 16.343 0.676 0.935
220 HA ILE 27 HA ILE 27 19.087 1.390 0.248
221 HB ILE 27 HB ILE 27 16.559 2.984 0.799
222 HG12 ILE 27 HG12 ILE 27 17.889 2.458 -1.863
223 HG13 ILE 27 HG13 ILE 27 16.719 1.326 -1.183
224 HG21 ILE 27 HG21 ILE 27 17.737 4.826 -0.401
225 HG22 ILE 27 HG22 ILE 27 19.208 3.853 -0.402
226 HG23 ILE 27 HG23 ILE 27 18.521 4.413 1.123
227 HD11 ILE 27 HD11 ILE 27 15.140 3.316 -0.929
228 HD12 ILE 27 HD12 ILE 27 15.459 2.794 -2.583
229 HD13 ILE 27 HD13 ILE 27 16.271 4.220 -1.936
230 H SER 28 H SER 28 17.072 1.617 3.160
231 HA SER 28 HA SER 28 17.593 2.241 5.369
232 HB2 SER 28 HB2 SER 28 20.320 1.577 4.217
233 HB3 SER 28 HB3 SER 28 20.059 1.911 5.925
234 HG SER 28 HG SER 28 19.070 -0.203 4.335
Start of MODEL 19
1 H1 SER 1 H1 SER 1 -21.621 5.690 -3.608
2 H2 SER 1 H2 SER 1 -23.104 4.893 -3.391
3 H3 SER 1 H3 SER 1 -23.025 6.301 -4.338
4 HA SER 1 HA SER 1 -23.180 4.367 -5.775
5 HB2 SER 1 HB2 SER 1 -20.444 5.685 -5.690
6 HB3 SER 1 HB3 SER 1 -21.191 4.954 -7.108
7 HG SER 1 HG SER 1 -21.865 6.960 -7.346
8 H ASP 2 H ASP 2 -19.958 4.324 -4.165
9 HA ASP 2 HA ASP 2 -20.230 1.390 -3.759
10 HB2 ASP 2 HB2 ASP 2 -18.180 0.957 -4.995
11 HB3 ASP 2 HB3 ASP 2 -19.259 1.883 -6.035
12 H ALA 3 H ALA 3 -20.310 3.261 -1.718
13 HA ALA 3 HA ALA 3 -17.932 4.175 -0.529
14 HB1 ALA 3 HB1 ALA 3 -20.409 2.967 0.745
15 HB2 ALA 3 HB2 ALA 3 -20.212 4.651 0.258
16 HB3 ALA 3 HB3 ALA 3 -19.244 3.996 1.579
17 H ALA 4 H ALA 4 -19.422 0.927 -0.198
18 HA ALA 4 HA ALA 4 -17.498 -0.157 1.632
19 HB1 ALA 4 HB1 ALA 4 -19.140 -1.533 -0.522
20 HB2 ALA 4 HB2 ALA 4 -19.754 -1.079 1.069
21 HB3 ALA 4 HB3 ALA 4 -18.480 -2.291 0.928
22 H ALA 5 H ALA 5 -17.629 -0.140 -1.945
23 HA ALA 5 HA ALA 5 -15.294 -1.759 -2.383
24 HB1 ALA 5 HB1 ALA 5 -17.102 -1.158 -4.033
25 HB2 ALA 5 HB2 ALA 5 -15.475 -0.879 -4.654
26 HB3 ALA 5 HB3 ALA 5 -16.445 0.478 -4.085
27 H ARG 6 H ARG 6 -15.734 1.761 -1.957
28 HA ARG 6 HA ARG 6 -13.037 2.529 -2.547
29 HB2 ARG 6 HB2 ARG 6 -15.407 3.647 -1.115
30 HB3 ARG 6 HB3 ARG 6 -13.850 4.419 -0.813
31 HG2 ARG 6 HG2 ARG 6 -13.669 4.294 -3.465
32 HG3 ARG 6 HG3 ARG 6 -15.429 4.263 -3.349
33 HD2 ARG 6 HD2 ARG 6 -15.400 6.345 -2.025
34 HD3 ARG 6 HD3 ARG 6 -13.626 6.375 -2.104
35 HE ARG 6 HE ARG 6 -15.462 6.913 -4.355
36 HH11 ARG 6 HH21 ARG 6 -13.474 5.056 -5.464
37 HH12 ARG 6 HH22 ARG 6 -12.166 6.097 -5.921
38 HH21 ARG 6 HH11 ARG 6 -13.262 8.761 -3.971
39 HH22 ARG 6 HH12 ARG 6 -12.046 8.204 -5.071
40 H VAL 7 H VAL 7 -14.611 1.402 0.394
41 HA VAL 7 HA VAL 7 -12.446 1.852 2.231
42 HB VAL 7 HB VAL 7 -14.688 -0.204 2.130
43 HG11 VAL 7 HG11 VAL 7 -14.296 -0.343 4.618
44 HG12 VAL 7 HG12 VAL 7 -12.805 0.569 4.378
45 HG13 VAL 7 HG13 VAL 7 -12.990 -1.025 3.648
46 HG21 VAL 7 HG21 VAL 7 -16.034 1.416 2.966
47 HG22 VAL 7 HG22 VAL 7 -14.790 2.556 2.453
48 HG23 VAL 7 HG23 VAL 7 -14.807 1.955 4.111
49 H THR 8 H THR 8 -13.298 -0.865 0.074
50 HA THR 8 HA THR 8 -11.198 -2.647 0.901
51 HB THR 8 HB THR 8 -12.541 -2.384 -1.806
52 HG1 THR 8 HG1 THR 8 -14.284 -2.884 -0.779
53 HG21 THR 8 HG21 THR 8 -10.638 -3.953 -1.722
54 HG22 THR 8 HG22 THR 8 -12.163 -4.815 -1.924
55 HG23 THR 8 HG23 THR 8 -11.377 -4.772 -0.346
56 H ALA 9 H ALA 9 -11.384 -0.074 -1.511
57 HA ALA 9 HA ALA 9 -8.854 -0.533 -2.785
58 HB1 ALA 9 HB1 ALA 9 -10.935 0.982 -3.357
59 HB2 ALA 9 HB2 ALA 9 -9.326 1.501 -3.857
60 HB3 ALA 9 HB3 ALA 9 -10.066 2.192 -2.413
61 H ILE 10 H ILE 10 -9.797 1.422 0.005
62 HA ILE 10 HA ILE 10 -7.290 2.702 0.502
63 HB ILE 10 HB ILE 10 -9.832 2.116 1.900
64 HG12 ILE 10 HG12 ILE 10 -9.390 4.512 2.661
65 HG13 ILE 10 HG13 ILE 10 -7.925 4.457 1.682
66 HG21 ILE 10 HG21 ILE 10 -8.913 2.788 4.136
67 HG22 ILE 10 HG22 ILE 10 -7.286 2.586 3.483
68 HG23 ILE 10 HG23 ILE 10 -8.365 1.196 3.609
69 HD11 ILE 10 HD11 ILE 10 -9.606 5.414 0.280
70 HD12 ILE 10 HD12 ILE 10 -10.788 4.191 0.747
71 HD13 ILE 10 HD13 ILE 10 -9.416 3.748 -0.268
72 H LEU 11 H LEU 11 -8.572 -0.474 1.481
73 HA LEU 11 HA LEU 11 -6.374 -1.281 3.140
74 HB2 LEU 11 HB2 LEU 11 -8.627 -2.333 3.075
75 HB3 LEU 11 HB3 LEU 11 -8.295 -2.902 1.439
76 HG LEU 11 HG LEU 11 -6.183 -4.003 2.503
77 HD11 LEU 11 HD11 LEU 11 -6.341 -2.904 4.684
78 HD12 LEU 11 HD12 LEU 11 -6.549 -4.644 4.881
79 HD13 LEU 11 HD13 LEU 11 -7.952 -3.577 4.932
80 HD21 LEU 11 HD21 LEU 11 -8.948 -5.058 3.178
81 HD22 LEU 11 HD22 LEU 11 -7.478 -6.017 3.005
82 HD23 LEU 11 HD23 LEU 11 -8.173 -5.207 1.601
83 H SER 12 H SER 12 -7.043 -1.606 -0.315
84 HA SER 12 HA SER 12 -4.702 -3.173 -0.977
85 HB2 SER 12 HB2 SER 12 -6.387 -1.274 -2.646
86 HB3 SER 12 HB3 SER 12 -5.318 -2.522 -3.279
87 HG SER 12 HG SER 12 -6.931 -3.835 -3.035
88 H SER 13 H SER 13 -5.430 0.318 -0.968
89 HA SER 13 HA SER 13 -3.017 1.305 -2.108
90 HB2 SER 13 HB2 SER 13 -5.080 2.312 -0.160
91 HB3 SER 13 HB3 SER 13 -3.666 3.300 -0.518
92 HG SER 13 HG SER 13 -4.523 3.756 -2.378
93 H LEU 14 H LEU 14 -3.786 0.316 1.226
94 HA LEU 14 HA LEU 14 -1.454 1.283 2.549
95 HB2 LEU 14 HB2 LEU 14 -3.466 -0.910 2.929
96 HB3 LEU 14 HB3 LEU 14 -2.040 -0.900 3.966
97 HG LEU 14 HG LEU 14 -3.454 1.697 3.614
98 HD11 LEU 14 HD11 LEU 14 -5.325 0.118 3.899
99 HD12 LEU 14 HD12 LEU 14 -5.116 1.106 5.344
100 HD13 LEU 14 HD13 LEU 14 -4.541 -0.561 5.326
101 HD21 LEU 14 HD21 LEU 14 -2.524 2.149 5.687
102 HD22 LEU 14 HD22 LEU 14 -1.369 0.950 5.104
103 HD23 LEU 14 HD23 LEU 14 -2.645 0.474 6.224
104 H THR 15 H THR 15 -2.069 -1.828 0.890
105 HA THR 15 HA THR 15 0.456 -3.062 1.414
106 HB THR 15 HB THR 15 -1.090 -3.398 -1.158
107 HG1 THR 15 HG1 THR 15 -2.809 -3.717 -0.013
108 HG21 THR 15 HG21 THR 15 -0.604 -5.808 -0.641
109 HG22 THR 15 HG22 THR 15 0.324 -5.268 0.758
110 HG23 THR 15 HG23 THR 15 0.841 -4.823 -0.868
111 H VAL 16 H VAL 16 -0.626 -0.915 -1.224
112 HA VAL 16 HA VAL 16 1.737 -0.998 -2.829
113 HB VAL 16 HB VAL 16 -0.312 1.197 -2.338
114 HG11 VAL 16 HG11 VAL 16 1.544 2.224 -3.436
115 HG12 VAL 16 HG12 VAL 16 0.379 1.862 -4.709
116 HG13 VAL 16 HG13 VAL 16 1.789 0.826 -4.483
117 HG21 VAL 16 HG21 VAL 16 -1.576 -0.548 -3.195
118 HG22 VAL 16 HG22 VAL 16 -0.208 -1.255 -4.053
119 HG23 VAL 16 HG23 VAL 16 -1.009 0.177 -4.699
120 H THR 17 H THR 17 0.811 1.156 -0.116
121 HA THR 17 HA THR 17 3.102 2.862 -0.162
122 HB THR 17 HB THR 17 1.522 1.913 2.253
123 HG1 THR 17 HG1 THR 17 -0.117 2.819 1.340
124 HG21 THR 17 HG21 THR 17 3.489 3.317 2.745
125 HG22 THR 17 HG22 THR 17 1.992 4.183 3.090
126 HG23 THR 17 HG23 THR 17 2.898 4.540 1.619
127 H GLN 18 H GLN 18 2.510 -0.208 1.594
128 HA GLN 18 HA GLN 18 4.982 -0.357 2.998
129 HB2 GLN 18 HB2 GLN 18 2.809 -2.170 2.108
130 HB3 GLN 18 HB3 GLN 18 4.341 -2.957 2.487
131 HG2 GLN 18 HG2 GLN 18 4.293 -2.282 4.720
132 HG3 GLN 18 HG3 GLN 18 3.233 -0.911 4.386
133 HE21 GLN 18 HE21 GLN 18 3.297 -4.350 5.118
134 HE22 GLN 18 HE22 GLN 18 1.615 -4.549 5.222
135 H LEU 19 H LEU 19 4.102 -1.409 -0.253
136 HA LEU 19 HA LEU 19 6.476 -2.754 -1.028
137 HB2 LEU 19 HB2 LEU 19 4.117 -2.194 -2.175
138 HB3 LEU 19 HB3 LEU 19 5.058 -0.906 -2.922
139 HG LEU 19 HG LEU 19 5.013 -2.972 -4.307
140 HD11 LEU 19 HD11 LEU 19 7.044 -1.322 -4.045
141 HD12 LEU 19 HD12 LEU 19 7.253 -2.829 -4.938
142 HD13 LEU 19 HD13 LEU 19 7.821 -2.704 -3.273
143 HD21 LEU 19 HD21 LEU 19 5.102 -4.370 -2.028
144 HD22 LEU 19 HD22 LEU 19 6.831 -4.336 -2.367
145 HD23 LEU 19 HD23 LEU 19 5.717 -5.032 -3.542
146 H LEU 20 H LEU 20 5.664 0.722 -1.083
147 HA LEU 20 HA LEU 20 8.108 1.651 -2.289
148 HB2 LEU 20 HB2 LEU 20 5.661 2.681 -1.402
149 HB3 LEU 20 HB3 LEU 20 6.848 3.459 -0.358
150 HG LEU 20 HG LEU 20 6.458 4.792 -2.395
151 HD11 LEU 20 HD11 LEU 20 9.183 3.513 -2.642
152 HD12 LEU 20 HD12 LEU 20 8.767 4.554 -1.280
153 HD13 LEU 20 HD13 LEU 20 8.735 5.195 -2.923
154 HD21 LEU 20 HD21 LEU 20 6.817 3.955 -4.577
155 HD22 LEU 20 HD22 LEU 20 5.942 2.655 -3.768
156 HD23 LEU 20 HD23 LEU 20 7.688 2.540 -3.986
157 H ARG 21 H ARG 21 7.124 1.132 1.112
158 HA ARG 21 HA ARG 21 9.392 2.279 2.402
159 HB2 ARG 21 HB2 ARG 21 7.249 0.309 2.989
160 HB3 ARG 21 HB3 ARG 21 8.675 0.200 4.019
161 HG2 ARG 21 HG2 ARG 21 7.450 1.783 5.188
162 HG3 ARG 21 HG3 ARG 21 8.388 2.837 4.129
163 HD2 ARG 21 HD2 ARG 21 6.551 3.141 2.629
164 HD3 ARG 21 HD3 ARG 21 5.644 1.800 3.359
165 HE ARG 21 HE ARG 21 5.070 3.219 5.179
166 HH11 ARG 21 HH11 ARG 21 5.719 5.236 2.772
167 HH12 ARG 21 HH12 ARG 21 6.456 6.505 3.693
168 HH21 ARG 21 HH21 ARG 21 6.802 4.579 6.567
169 HH22 ARG 21 HH22 ARG 21 7.069 6.132 5.849
170 H ARG 22 H ARG 22 8.840 -1.105 1.344
171 HA ARG 22 HA ARG 22 11.401 -2.124 2.141
172 HB2 ARG 22 HB2 ARG 22 9.061 -2.917 0.551
173 HB3 ARG 22 HB3 ARG 22 10.565 -3.622 -0.042
174 HG2 ARG 22 HG2 ARG 22 10.644 -5.057 1.688
175 HG3 ARG 22 HG3 ARG 22 10.493 -3.736 2.846
176 HD2 ARG 22 HD2 ARG 22 8.211 -4.004 3.060
177 HD3 ARG 22 HD3 ARG 22 8.014 -4.535 1.378
178 HE ARG 22 HE ARG 22 9.122 -6.258 3.563
179 HH11 ARG 22 HH11 ARG 22 9.576 -6.570 0.434
180 HH12 ARG 22 HH12 ARG 22 8.499 -7.894 0.135
181 HH21 ARG 22 HH21 ARG 22 6.895 -7.623 3.209
182 HH22 ARG 22 HH22 ARG 22 6.974 -8.490 1.712
183 H LEU 23 H LEU 23 10.263 -0.657 -0.910
184 HA LEU 23 HA LEU 23 12.591 -1.121 -2.499
185 HB2 LEU 23 HB2 LEU 23 10.118 0.050 -2.786
186 HB3 LEU 23 HB3 LEU 23 11.176 1.458 -2.840
187 HG LEU 23 HG LEU 23 10.835 0.574 -5.102
188 HD11 LEU 23 HD11 LEU 23 13.624 -0.169 -4.191
189 HD12 LEU 23 HD12 LEU 23 13.084 1.501 -4.369
190 HD13 LEU 23 HD13 LEU 23 13.133 0.435 -5.773
191 HD21 LEU 23 HD21 LEU 23 11.463 -1.671 -5.716
192 HD22 LEU 23 HD22 LEU 23 10.406 -1.795 -4.311
193 HD23 LEU 23 HD23 LEU 23 12.150 -1.975 -4.122
194 H HIS 24 H HIS 24 11.759 1.551 -0.279
195 HA HIS 24 HA HIS 24 14.107 3.152 -0.745
196 HB2 HIS 24 HB2 HIS 24 11.899 2.909 1.241
197 HB3 HIS 24 HB3 HIS 24 13.342 3.762 1.788
198 HD1 HIS 24 HD1 HIS 24 11.532 3.775 -1.584
199 HD2 HIS 24 HD2 HIS 24 12.849 6.436 1.344
200 HE1 HIS 24 HE1 HIS 24 11.017 6.100 -2.445
201 H GLN 25 H GLN 25 13.368 0.538 1.560
202 HA GLN 25 HA GLN 25 15.756 0.680 3.136
203 HB2 GLN 25 HB2 GLN 25 13.773 -0.552 3.812
204 HB3 GLN 25 HB3 GLN 25 13.866 -1.574 2.379
205 HG2 GLN 25 HG2 GLN 25 16.368 -1.900 3.525
206 HG3 GLN 25 HG3 GLN 25 15.304 -1.799 4.928
207 HE21 GLN 25 HE21 GLN 25 14.894 -3.944 5.541
208 HE22 GLN 25 HE22 GLN 25 14.413 -5.175 4.477
209 H TRP 26 H TRP 26 15.008 -1.027 0.093
210 HA TRP 26 HA TRP 26 17.500 -2.489 -0.070
211 HB2 TRP 26 HB2 TRP 26 15.091 -2.580 -1.298
212 HB3 TRP 26 HB3 TRP 26 16.008 -1.707 -2.526
213 HD1 TRP 26 HD1 TRP 26 15.621 -5.099 -0.925
214 HE1 TRP 26 HE1 TRP 26 17.142 -6.796 -2.129
215 HE3 TRP 26 HE3 TRP 26 18.353 -1.921 -3.846
216 HZ2 TRP 26 HZ2 TRP 26 19.241 -6.805 -4.074
217 HZ3 TRP 26 HZ3 TRP 26 20.103 -2.800 -5.362
218 HH2 TRP 26 HH2 TRP 26 20.551 -5.236 -5.480
219 H ILE 27 H ILE 27 16.460 0.721 -1.205
220 HA ILE 27 HA ILE 27 18.932 1.162 -2.744
221 HB ILE 27 HB ILE 27 16.540 2.862 -1.968
222 HG12 ILE 27 HG12 ILE 27 17.403 1.868 -4.696
223 HG13 ILE 27 HG13 ILE 27 16.332 0.937 -3.648
224 HG21 ILE 27 HG21 ILE 27 18.405 4.379 -2.231
225 HG22 ILE 27 HG22 ILE 27 17.441 4.462 -3.704
226 HG23 ILE 27 HG23 ILE 27 18.946 3.542 -3.685
227 HD11 ILE 27 HD11 ILE 27 15.823 3.755 -4.651
228 HD12 ILE 27 HD12 ILE 27 14.762 2.853 -3.568
229 HD13 ILE 27 HD13 ILE 27 15.017 2.293 -5.221
230 H SER 28 H SER 28 17.459 2.571 0.214
231 HA SER 28 HA SER 28 18.438 3.654 2.061
232 HB2 SER 28 HB2 SER 28 19.699 1.346 1.718
233 HB3 SER 28 HB3 SER 28 21.053 2.390 1.298
234 HG SER 28 HG SER 28 20.914 3.343 3.300
Start of MODEL 20
1 H1 SER 1 H1 SER 1 -20.512 -0.567 -8.119
2 H2 SER 1 H2 SER 1 -21.497 0.716 -8.637
3 H3 SER 1 H3 SER 1 -21.966 -0.237 -7.310
4 HA SER 1 HA SER 1 -19.618 1.598 -7.412
5 HB2 SER 1 HB2 SER 1 -22.458 1.757 -6.576
6 HB3 SER 1 HB3 SER 1 -21.305 2.419 -5.420
7 HG SER 1 HG SER 1 -22.187 3.749 -7.321
8 H ASP 2 H ASP 2 -21.728 -0.150 -5.080
9 HA ASP 2 HA ASP 2 -21.205 -1.346 -3.126
10 HB2 ASP 2 HB2 ASP 2 -19.079 -1.934 -5.141
11 HB3 ASP 2 HB3 ASP 2 -18.821 -2.511 -3.495
12 H ALA 3 H ALA 3 -21.030 0.518 -1.733
13 HA ALA 3 HA ALA 3 -18.775 2.204 -1.387
14 HB1 ALA 3 HB1 ALA 3 -21.065 2.463 -0.404
15 HB2 ALA 3 HB2 ALA 3 -19.789 2.649 0.799
16 HB3 ALA 3 HB3 ALA 3 -20.702 1.144 0.708
17 H ALA 4 H ALA 4 -19.469 -1.014 -0.026
18 HA ALA 4 HA ALA 4 -17.324 -1.184 1.851
19 HB1 ALA 4 HB1 ALA 4 -17.709 -3.637 1.556
20 HB2 ALA 4 HB2 ALA 4 -18.696 -3.284 0.137
21 HB3 ALA 4 HB3 ALA 4 -19.218 -2.742 1.732
22 H ALA 5 H ALA 5 -17.464 -1.930 -1.639
23 HA ALA 5 HA ALA 5 -14.840 -3.050 -1.901
24 HB1 ALA 5 HB1 ALA 5 -15.231 -2.703 -4.258
25 HB2 ALA 5 HB2 ALA 5 -16.366 -1.394 -3.935
26 HB3 ALA 5 HB3 ALA 5 -16.801 -3.056 -3.537
27 H ARG 6 H ARG 6 -16.018 0.320 -2.018
28 HA ARG 6 HA ARG 6 -13.554 1.542 -2.828
29 HB2 ARG 6 HB2 ARG 6 -15.984 2.420 -1.264
30 HB3 ARG 6 HB3 ARG 6 -14.652 3.532 -1.573
31 HG2 ARG 6 HG2 ARG 6 -15.048 3.597 -3.854
32 HG3 ARG 6 HG3 ARG 6 -15.776 1.990 -3.879
33 HD2 ARG 6 HD2 ARG 6 -17.863 2.812 -3.468
34 HD3 ARG 6 HD3 ARG 6 -17.265 3.949 -2.242
35 HE ARG 6 HE ARG 6 -16.711 5.515 -4.017
36 HH11 ARG 6 HH11 ARG 6 -19.499 4.952 -4.803
37 HH12 ARG 6 HH12 ARG 6 -19.357 4.508 -6.470
38 HH21 ARG 6 HH21 ARG 6 -15.934 3.916 -6.288
39 HH22 ARG 6 HH22 ARG 6 -17.327 3.925 -7.317
40 H VAL 7 H VAL 7 -14.847 0.612 0.311
41 HA VAL 7 HA VAL 7 -12.819 1.773 1.978
42 HB VAL 7 HB VAL 7 -14.517 -0.734 2.305
43 HG11 VAL 7 HG11 VAL 7 -14.197 -0.107 4.788
44 HG12 VAL 7 HG12 VAL 7 -12.843 0.876 4.233
45 HG13 VAL 7 HG13 VAL 7 -12.835 -0.867 3.967
46 HG21 VAL 7 HG21 VAL 7 -15.599 1.229 3.897
47 HG22 VAL 7 HG22 VAL 7 -16.182 0.821 2.284
48 HG23 VAL 7 HG23 VAL 7 -15.059 2.163 2.502
49 H THR 8 H THR 8 -13.083 -1.369 0.303
50 HA THR 8 HA THR 8 -10.633 -2.498 1.321
51 HB THR 8 HB THR 8 -12.080 -3.024 -1.293
52 HG1 THR 8 HG1 THR 8 -13.601 -3.845 -0.123
53 HG21 THR 8 HG21 THR 8 -11.148 -5.272 -1.080
54 HG22 THR 8 HG22 THR 8 -10.394 -4.840 0.454
55 HG23 THR 8 HG23 THR 8 -9.844 -4.087 -1.042
56 H ALA 9 H ALA 9 -11.422 -0.502 -1.483
57 HA ALA 9 HA ALA 9 -8.883 -0.667 -2.813
58 HB1 ALA 9 HB1 ALA 9 -11.179 0.192 -3.624
59 HB2 ALA 9 HB2 ALA 9 -9.762 1.104 -4.147
60 HB3 ALA 9 HB3 ALA 9 -10.756 1.704 -2.820
61 H ILE 10 H ILE 10 -10.148 1.551 -0.367
62 HA ILE 10 HA ILE 10 -7.967 3.395 -0.275
63 HB ILE 10 HB ILE 10 -9.941 2.376 1.797
64 HG12 ILE 10 HG12 ILE 10 -9.873 5.097 0.497
65 HG13 ILE 10 HG13 ILE 10 -10.613 3.729 -0.334
66 HG21 ILE 10 HG21 ILE 10 -7.861 4.562 1.972
67 HG22 ILE 10 HG22 ILE 10 -8.166 3.250 3.111
68 HG23 ILE 10 HG23 ILE 10 -9.314 4.582 2.972
69 HD11 ILE 10 HD11 ILE 10 -11.896 3.355 1.899
70 HD12 ILE 10 HD12 ILE 10 -12.418 4.667 0.845
71 HD13 ILE 10 HD13 ILE 10 -11.431 5.016 2.264
72 H LEU 11 H LEU 11 -8.525 0.288 1.383
73 HA LEU 11 HA LEU 11 -6.124 0.295 2.968
74 HB2 LEU 11 HB2 LEU 11 -8.400 -1.248 2.696
75 HB3 LEU 11 HB3 LEU 11 -7.153 -2.305 2.038
76 HG LEU 11 HG LEU 11 -7.418 -2.666 4.462
77 HD11 LEU 11 HD11 LEU 11 -4.816 -1.193 4.022
78 HD12 LEU 11 HD12 LEU 11 -5.140 -2.755 3.273
79 HD13 LEU 11 HD13 LEU 11 -5.111 -2.609 5.030
80 HD21 LEU 11 HD21 LEU 11 -8.143 -0.233 4.852
81 HD22 LEU 11 HD22 LEU 11 -6.424 0.164 4.851
82 HD23 LEU 11 HD23 LEU 11 -7.074 -0.937 6.065
83 H SER 12 H SER 12 -6.893 -0.911 -0.266
84 HA SER 12 HA SER 12 -4.456 -2.276 -0.847
85 HB2 SER 12 HB2 SER 12 -6.389 -0.723 -2.599
86 HB3 SER 12 HB3 SER 12 -5.150 -1.810 -3.220
87 HG SER 12 HG SER 12 -7.516 -2.360 -1.839
88 H SER 13 H SER 13 -5.335 1.165 -1.112
89 HA SER 13 HA SER 13 -3.010 2.107 -2.487
90 HB2 SER 13 HB2 SER 13 -4.734 3.444 -0.369
91 HB3 SER 13 HB3 SER 13 -3.696 4.279 -1.520
92 HG SER 13 HG SER 13 -6.199 3.306 -1.840
93 H LEU 14 H LEU 14 -3.699 1.746 1.009
94 HA LEU 14 HA LEU 14 -1.199 2.760 1.986
95 HB2 LEU 14 HB2 LEU 14 -3.606 1.633 2.971
96 HB3 LEU 14 HB3 LEU 14 -2.304 0.630 3.612
97 HG LEU 14 HG LEU 14 -2.291 3.657 3.757
98 HD11 LEU 14 HD11 LEU 14 -2.966 3.387 6.108
99 HD12 LEU 14 HD12 LEU 14 -3.098 1.643 5.880
100 HD13 LEU 14 HD13 LEU 14 -4.200 2.731 5.035
101 HD21 LEU 14 HD21 LEU 14 -0.086 2.603 3.925
102 HD22 LEU 14 HD22 LEU 14 -0.689 1.480 5.144
103 HD23 LEU 14 HD23 LEU 14 -0.571 3.200 5.512
104 H THR 15 H THR 15 -2.258 -0.541 1.117
105 HA THR 15 HA THR 15 0.055 -1.994 1.892
106 HB THR 15 HB THR 15 -1.715 -2.410 -0.546
107 HG1 THR 15 HG1 THR 15 -3.208 -2.538 0.923
108 HG21 THR 15 HG21 THR 15 0.167 -3.923 -0.547
109 HG22 THR 15 HG22 THR 15 -1.252 -4.829 -0.024
110 HG23 THR 15 HG23 THR 15 -0.064 -4.288 1.162
111 H VAL 16 H VAL 16 -0.653 -0.240 -1.142
112 HA VAL 16 HA VAL 16 1.737 -0.946 -2.565
113 HB VAL 16 HB VAL 16 -0.176 1.410 -2.644
114 HG11 VAL 16 HG11 VAL 16 1.773 2.315 -3.636
115 HG12 VAL 16 HG12 VAL 16 0.848 1.698 -5.004
116 HG13 VAL 16 HG13 VAL 16 2.216 0.778 -4.377
117 HG21 VAL 16 HG21 VAL 16 0.213 -1.016 -4.429
118 HG22 VAL 16 HG22 VAL 16 -0.978 0.257 -4.688
119 HG23 VAL 16 HG23 VAL 16 -1.098 -0.788 -3.272
120 H THR 17 H THR 17 0.985 1.796 -0.381
121 HA THR 17 HA THR 17 3.469 3.197 -0.643
122 HB THR 17 HB THR 17 1.720 2.944 1.828
123 HG1 THR 17 HG1 THR 17 1.387 4.480 -0.532
124 HG21 THR 17 HG21 THR 17 3.230 5.340 0.768
125 HG22 THR 17 HG22 THR 17 3.922 4.212 1.932
126 HG23 THR 17 HG23 THR 17 2.489 5.148 2.357
127 H GLN 18 H GLN 18 2.461 0.523 1.490
128 HA GLN 18 HA GLN 18 4.811 0.407 3.122
129 HB2 GLN 18 HB2 GLN 18 2.424 -1.180 2.515
130 HB3 GLN 18 HB3 GLN 18 3.820 -2.192 2.884
131 HG2 GLN 18 HG2 GLN 18 3.758 -1.642 5.073
132 HG3 GLN 18 HG3 GLN 18 3.598 0.076 4.712
133 HE21 GLN 18 HE21 GLN 18 1.451 -2.792 4.125
134 HE22 GLN 18 HE22 GLN 18 0.076 -2.072 4.813
135 H LEU 19 H LEU 19 4.001 -1.122 0.042
136 HA LEU 19 HA LEU 19 6.294 -2.809 -0.223
137 HB2 LEU 19 HB2 LEU 19 4.078 -2.568 -1.601
138 HB3 LEU 19 HB3 LEU 19 4.973 -1.354 -2.517
139 HG LEU 19 HG LEU 19 6.303 -3.987 -2.023
140 HD11 LEU 19 HD11 LEU 19 4.312 -3.597 -4.269
141 HD12 LEU 19 HD12 LEU 19 3.905 -4.432 -2.769
142 HD13 LEU 19 HD13 LEU 19 5.164 -5.075 -3.823
143 HD21 LEU 19 HD21 LEU 19 6.369 -1.741 -3.991
144 HD22 LEU 19 HD22 LEU 19 6.782 -3.349 -4.586
145 HD23 LEU 19 HD23 LEU 19 7.703 -2.636 -3.263
146 H LEU 20 H LEU 20 5.733 0.592 -1.147
147 HA LEU 20 HA LEU 20 8.290 1.056 -2.388
148 HB2 LEU 20 HB2 LEU 20 5.960 2.588 -1.375
149 HB3 LEU 20 HB3 LEU 20 7.476 3.489 -1.432
150 HG LEU 20 HG LEU 20 7.639 2.361 -3.843
151 HD11 LEU 20 HD11 LEU 20 5.410 2.216 -4.884
152 HD12 LEU 20 HD12 LEU 20 4.654 2.559 -3.328
153 HD13 LEU 20 HD13 LEU 20 5.554 1.060 -3.561
154 HD21 LEU 20 HD21 LEU 20 6.517 4.409 -4.749
155 HD22 LEU 20 HD22 LEU 20 7.651 4.769 -3.448
156 HD23 LEU 20 HD23 LEU 20 5.916 4.757 -3.127
157 H ARG 21 H ARG 21 7.116 1.434 0.973
158 HA ARG 21 HA ARG 21 9.418 2.717 2.071
159 HB2 ARG 21 HB2 ARG 21 6.980 1.413 2.927
160 HB3 ARG 21 HB3 ARG 21 8.308 0.947 3.990
161 HG2 ARG 21 HG2 ARG 21 7.698 3.818 3.233
162 HG3 ARG 21 HG3 ARG 21 7.100 3.049 4.703
163 HD2 ARG 21 HD2 ARG 21 10.048 2.944 4.095
164 HD3 ARG 21 HD3 ARG 21 9.349 4.410 4.812
165 HE ARG 21 HE ARG 21 8.787 3.151 6.772
166 HH11 ARG 21 HH11 ARG 21 11.420 1.792 5.645
167 HH12 ARG 21 HH12 ARG 21 11.044 0.138 5.994
168 HH21 ARG 21 HH21 ARG 21 7.676 0.759 6.602
169 HH22 ARG 21 HH22 ARG 21 8.915 -0.450 6.550
170 H ARG 22 H ARG 22 8.628 -0.754 1.744
171 HA ARG 22 HA ARG 22 11.052 -1.746 2.965
172 HB2 ARG 22 HB2 ARG 22 8.765 -2.750 1.332
173 HB3 ARG 22 HB3 ARG 22 10.211 -3.758 1.371
174 HG2 ARG 22 HG2 ARG 22 10.091 -4.064 3.700
175 HG3 ARG 22 HG3 ARG 22 9.058 -2.652 3.924
176 HD2 ARG 22 HD2 ARG 22 7.661 -4.395 2.162
177 HD3 ARG 22 HD3 ARG 22 8.258 -5.387 3.506
178 HE ARG 22 HE ARG 22 6.687 -2.863 3.908
179 HH11 ARG 22 HH21 ARG 22 5.621 -5.806 4.055
180 HH12 ARG 22 HH22 ARG 22 5.521 -5.994 5.773
181 HH21 ARG 22 HH11 ARG 22 7.467 -3.200 6.461
182 HH22 ARG 22 HH12 ARG 22 6.572 -4.517 7.138
183 H LEU 23 H LEU 23 10.089 -1.150 -0.424
184 HA LEU 23 HA LEU 23 12.358 -2.183 -1.764
185 HB2 LEU 23 HB2 LEU 23 10.146 -1.277 -2.668
186 HB3 LEU 23 HB3 LEU 23 10.837 0.335 -2.489
187 HG LEU 23 HG LEU 23 12.862 -0.857 -3.817
188 HD11 LEU 23 HD11 LEU 23 11.900 -2.306 -5.578
189 HD12 LEU 23 HD12 LEU 23 10.330 -2.223 -4.781
190 HD13 LEU 23 HD13 LEU 23 11.686 -3.014 -3.978
191 HD21 LEU 23 HD21 LEU 23 11.262 1.181 -4.341
192 HD22 LEU 23 HD22 LEU 23 10.496 0.034 -5.440
193 HD23 LEU 23 HD23 LEU 23 12.201 0.440 -5.637
194 H HIS 24 H HIS 24 11.915 0.960 -0.144
195 HA HIS 24 HA HIS 24 14.209 2.341 -1.082
196 HB2 HIS 24 HB2 HIS 24 12.607 2.301 1.475
197 HB3 HIS 24 HB3 HIS 24 14.015 3.351 1.333
198 HD1 HIS 24 HD1 HIS 24 12.034 5.252 1.544
199 HD2 HIS 24 HD2 HIS 24 12.223 3.128 -2.040
200 HE1 HIS 24 HE1 HIS 24 10.722 6.594 -0.156
201 H GLN 25 H GLN 25 13.882 -0.028 1.565
202 HA GLN 25 HA GLN 25 16.608 0.157 2.510
203 HB2 GLN 25 HB2 GLN 25 14.444 -0.799 3.593
204 HB3 GLN 25 HB3 GLN 25 14.808 -2.265 2.685
205 HG2 GLN 25 HG2 GLN 25 16.203 -2.859 4.352
206 HG3 GLN 25 HG3 GLN 25 17.245 -1.519 3.874
207 HE21 GLN 25 HE21 GLN 25 17.796 -0.413 5.772
208 HE22 GLN 25 HE22 GLN 25 16.695 0.026 6.988
209 H TRP 26 H TRP 26 14.967 -1.919 0.114
210 HA TRP 26 HA TRP 26 17.149 -3.726 -0.372
211 HB2 TRP 26 HB2 TRP 26 14.504 -3.218 -1.285
212 HB3 TRP 26 HB3 TRP 26 15.534 -3.230 -2.715
213 HD1 TRP 26 HD1 TRP 26 14.909 -5.406 0.424
214 HE1 TRP 26 HE1 TRP 26 15.250 -7.877 -0.231
215 HE3 TRP 26 HE3 TRP 26 16.368 -4.837 -4.439
216 HZ2 TRP 26 HZ2 TRP 26 16.037 -9.408 -2.515
217 HZ3 TRP 26 HZ3 TRP 26 16.906 -6.817 -5.828
218 HH2 TRP 26 HH2 TRP 26 16.742 -9.100 -4.874
219 H ILE 27 H ILE 27 16.370 -0.512 -1.660
220 HA ILE 27 HA ILE 27 18.372 -0.589 -3.785
221 HB ILE 27 HB ILE 27 16.775 1.622 -2.446
222 HG12 ILE 27 HG12 ILE 27 16.388 0.515 -5.225
223 HG13 ILE 27 HG13 ILE 27 15.670 -0.298 -3.833
224 HG21 ILE 27 HG21 ILE 27 18.599 2.758 -3.428
225 HG22 ILE 27 HG22 ILE 27 17.355 2.813 -4.677
226 HG23 ILE 27 HG23 ILE 27 18.672 1.645 -4.794
227 HD11 ILE 27 HD11 ILE 27 13.992 1.204 -4.579
228 HD12 ILE 27 HD12 ILE 27 15.154 2.507 -4.826
229 HD13 ILE 27 HD13 ILE 27 14.725 2.007 -3.190
230 H SER 28 H SER 28 18.255 0.606 -0.434
231 HA SER 28 HA SER 28 20.840 1.956 -0.562
232 HB2 SER 28 HB2 SER 28 18.925 1.114 1.622
233 HB3 SER 28 HB3 SER 28 20.445 1.927 1.981
234 HG SER 28 HG SER 28 18.486 3.273 1.653
Start of MODEL 21
1 H1 SER 1 H1 SER 1 -24.805 0.139 -2.433
2 H2 SER 1 H2 SER 1 -24.353 1.444 -3.424
3 H3 SER 1 H3 SER 1 -23.754 1.330 -1.837
4 HA SER 1 HA SER 1 -22.545 -0.710 -2.434
5 HB2 SER 1 HB2 SER 1 -23.666 -0.009 -5.170
6 HB3 SER 1 HB3 SER 1 -22.573 -1.346 -4.824
7 HG SER 1 HG SER 1 -24.616 -2.178 -4.774
8 H ASP 2 H ASP 2 -21.133 1.076 -1.629
9 HA ASP 2 HA ASP 2 -19.257 1.982 -3.683
10 HB2 ASP 2 HB2 ASP 2 -21.014 3.624 -3.997
11 HB3 ASP 2 HB3 ASP 2 -21.123 3.907 -2.260
12 H ALA 3 H ALA 3 -20.382 2.786 -0.361
13 HA ALA 3 HA ALA 3 -17.918 3.589 0.757
14 HB1 ALA 3 HB1 ALA 3 -19.014 3.095 2.879
15 HB2 ALA 3 HB2 ALA 3 -20.138 1.997 2.078
16 HB3 ALA 3 HB3 ALA 3 -20.217 3.729 1.755
17 H ALA 4 H ALA 4 -19.273 0.284 0.508
18 HA ALA 4 HA ALA 4 -17.222 -1.084 1.960
19 HB1 ALA 4 HB1 ALA 4 -19.369 -2.086 1.399
20 HB2 ALA 4 HB2 ALA 4 -18.097 -3.047 0.645
21 HB3 ALA 4 HB3 ALA 4 -19.038 -1.916 -0.325
22 H ALA 5 H ALA 5 -17.527 -0.328 -1.528
23 HA ALA 5 HA ALA 5 -15.124 -1.664 -2.370
24 HB1 ALA 5 HB1 ALA 5 -15.431 -0.243 -4.383
25 HB2 ALA 5 HB2 ALA 5 -16.589 0.750 -3.497
26 HB3 ALA 5 HB3 ALA 5 -16.966 -0.935 -3.858
27 H ARG 6 H ARG 6 -15.751 1.648 -1.193
28 HA ARG 6 HA ARG 6 -13.142 2.710 -1.713
29 HB2 ARG 6 HB2 ARG 6 -15.434 3.779 -0.951
30 HB3 ARG 6 HB3 ARG 6 -14.797 3.494 0.669
31 HG2 ARG 6 HG2 ARG 6 -12.763 4.766 0.106
32 HG3 ARG 6 HG3 ARG 6 -13.383 5.044 -1.523
33 HD2 ARG 6 HD2 ARG 6 -14.125 7.003 -0.533
34 HD3 ARG 6 HD3 ARG 6 -15.494 5.961 -0.093
35 HE ARG 6 HE ARG 6 -13.242 6.696 1.712
36 HH11 ARG 6 HH21 ARG 6 -16.027 7.373 2.456
37 HH12 ARG 6 HH22 ARG 6 -16.468 6.078 3.518
38 HH21 ARG 6 HH11 ARG 6 -13.870 4.006 2.491
39 HH22 ARG 6 HH12 ARG 6 -15.245 4.162 3.534
40 H VAL 7 H VAL 7 -14.471 0.833 0.950
41 HA VAL 7 HA VAL 7 -12.267 1.042 2.781
42 HB VAL 7 HB VAL 7 -14.332 -1.129 2.248
43 HG11 VAL 7 HG11 VAL 7 -12.433 -2.096 3.451
44 HG12 VAL 7 HG12 VAL 7 -13.796 -1.909 4.553
45 HG13 VAL 7 HG13 VAL 7 -12.456 -0.763 4.606
46 HG21 VAL 7 HG21 VAL 7 -14.640 1.440 3.250
47 HG22 VAL 7 HG22 VAL 7 -14.501 0.460 4.709
48 HG23 VAL 7 HG23 VAL 7 -15.752 0.098 3.521
49 H THR 8 H THR 8 -12.984 -1.169 0.070
50 HA THR 8 HA THR 8 -10.680 -2.867 0.403
51 HB THR 8 HB THR 8 -12.184 -2.203 -2.141
52 HG1 THR 8 HG1 THR 8 -12.854 -3.958 -0.014
53 HG21 THR 8 HG21 THR 8 -10.831 -4.738 -1.175
54 HG22 THR 8 HG22 THR 8 -10.185 -3.631 -2.387
55 HG23 THR 8 HG23 THR 8 -11.662 -4.536 -2.718
56 H ALA 9 H ALA 9 -11.272 0.113 -1.394
57 HA ALA 9 HA ALA 9 -8.790 0.175 -2.844
58 HB1 ALA 9 HB1 ALA 9 -10.447 1.595 -3.674
59 HB2 ALA 9 HB2 ALA 9 -9.458 2.741 -2.770
60 HB3 ALA 9 HB3 ALA 9 -10.943 2.109 -2.062
61 H ILE 10 H ILE 10 -9.767 1.496 0.288
62 HA ILE 10 HA ILE 10 -7.382 2.941 0.915
63 HB ILE 10 HB ILE 10 -9.483 1.489 2.556
64 HG12 ILE 10 HG12 ILE 10 -8.967 4.458 2.370
65 HG13 ILE 10 HG13 ILE 10 -9.927 3.628 1.146
66 HG21 ILE 10 HG21 ILE 10 -8.544 2.964 4.456
67 HG22 ILE 10 HG22 ILE 10 -7.089 3.093 3.467
68 HG23 ILE 10 HG23 ILE 10 -7.631 1.514 4.037
69 HD11 ILE 10 HD11 ILE 10 -10.520 4.021 4.067
70 HD12 ILE 10 HD12 ILE 10 -11.215 2.645 3.210
71 HD13 ILE 10 HD13 ILE 10 -11.569 4.287 2.674
72 H LEU 11 H LEU 11 -8.293 -0.469 1.430
73 HA LEU 11 HA LEU 11 -5.856 -1.281 2.741
74 HB2 LEU 11 HB2 LEU 11 -8.243 -2.370 2.499
75 HB3 LEU 11 HB3 LEU 11 -7.565 -3.070 1.029
76 HG LEU 11 HG LEU 11 -6.068 -3.269 3.637
77 HD11 LEU 11 HD11 LEU 11 -7.176 -5.571 3.814
78 HD12 LEU 11 HD12 LEU 11 -8.378 -4.969 2.673
79 HD13 LEU 11 HD13 LEU 11 -8.185 -4.189 4.243
80 HD21 LEU 11 HD21 LEU 11 -5.969 -4.443 0.915
81 HD22 LEU 11 HD22 LEU 11 -5.690 -5.579 2.234
82 HD23 LEU 11 HD23 LEU 11 -4.663 -4.156 2.065
83 H SER 12 H SER 12 -6.954 -1.300 -0.620
84 HA SER 12 HA SER 12 -4.696 -2.621 -1.792
85 HB2 SER 12 HB2 SER 12 -6.774 -0.653 -2.772
86 HB3 SER 12 HB3 SER 12 -5.567 -1.344 -3.851
87 HG SER 12 HG SER 12 -7.684 -2.577 -2.475
88 H SER 13 H SER 13 -5.381 0.837 -1.182
89 HA SER 13 HA SER 13 -2.978 1.844 -2.431
90 HB2 SER 13 HB2 SER 13 -3.718 3.907 -1.557
91 HB3 SER 13 HB3 SER 13 -5.213 2.990 -1.705
92 HG SER 13 HG SER 13 -5.055 2.496 0.503
93 H LEU 14 H LEU 14 -3.734 0.690 0.841
94 HA LEU 14 HA LEU 14 -1.365 1.616 2.169
95 HB2 LEU 14 HB2 LEU 14 -3.688 0.008 2.673
96 HB3 LEU 14 HB3 LEU 14 -2.274 -0.883 3.234
97 HG LEU 14 HG LEU 14 -1.896 1.821 4.015
98 HD11 LEU 14 HD11 LEU 14 -4.694 0.774 4.440
99 HD12 LEU 14 HD12 LEU 14 -4.193 2.364 3.868
100 HD13 LEU 14 HD13 LEU 14 -3.968 1.925 5.561
101 HD21 LEU 14 HD21 LEU 14 -2.058 0.810 6.294
102 HD22 LEU 14 HD22 LEU 14 -1.043 -0.137 5.206
103 HD23 LEU 14 HD23 LEU 14 -2.687 -0.668 5.564
104 H THR 15 H THR 15 -2.122 -1.557 0.659
105 HA THR 15 HA THR 15 0.397 -2.802 1.137
106 HB THR 15 HB THR 15 -0.297 -4.306 -0.698
107 HG1 THR 15 HG1 THR 15 -2.362 -2.411 -1.142
108 HG21 THR 15 HG21 THR 15 -1.850 -3.628 1.609
109 HG22 THR 15 HG22 THR 15 -1.691 -5.195 0.816
110 HG23 THR 15 HG23 THR 15 -2.951 -4.074 0.304
111 H VAL 16 H VAL 16 -0.684 -0.703 -1.541
112 HA VAL 16 HA VAL 16 1.645 -0.941 -3.194
113 HB VAL 16 HB VAL 16 -0.332 1.326 -2.731
114 HG11 VAL 16 HG11 VAL 16 1.787 0.902 -4.847
115 HG12 VAL 16 HG12 VAL 16 1.543 2.317 -3.823
116 HG13 VAL 16 HG13 VAL 16 0.394 1.951 -5.111
117 HG21 VAL 16 HG21 VAL 16 -0.810 -1.178 -3.732
118 HG22 VAL 16 HG22 VAL 16 -0.395 -0.299 -5.203
119 HG23 VAL 16 HG23 VAL 16 -1.726 0.258 -4.189
120 H THR 17 H THR 17 0.848 1.281 -0.502
121 HA THR 17 HA THR 17 3.253 2.858 -0.617
122 HB THR 17 HB THR 17 1.462 2.148 1.737
123 HG1 THR 17 HG1 THR 17 0.044 3.337 0.784
124 HG21 THR 17 HG21 THR 17 3.011 4.701 1.304
125 HG22 THR 17 HG22 THR 17 3.721 3.320 2.139
126 HG23 THR 17 HG23 THR 17 2.282 4.101 2.793
127 H GLN 18 H GLN 18 2.392 -0.128 1.142
128 HA GLN 18 HA GLN 18 4.745 -0.386 2.726
129 HB2 GLN 18 HB2 GLN 18 2.630 -2.192 1.605
130 HB3 GLN 18 HB3 GLN 18 4.027 -2.921 2.396
131 HG2 GLN 18 HG2 GLN 18 3.509 -1.982 4.473
132 HG3 GLN 18 HG3 GLN 18 2.562 -0.677 3.757
133 HE21 GLN 18 HE21 GLN 18 2.423 -3.991 4.910
134 HE22 GLN 18 HE22 GLN 18 0.759 -4.209 4.656
135 H LEU 19 H LEU 19 4.017 -1.590 -0.522
136 HA LEU 19 HA LEU 19 6.432 -3.016 -1.021
137 HB2 LEU 19 HB2 LEU 19 4.166 -1.888 -2.497
138 HB3 LEU 19 HB3 LEU 19 5.655 -1.841 -3.439
139 HG LEU 19 HG LEU 19 5.918 -4.321 -2.536
140 HD11 LEU 19 HD11 LEU 19 3.879 -4.145 -1.104
141 HD12 LEU 19 HD12 LEU 19 3.764 -5.446 -2.289
142 HD13 LEU 19 HD13 LEU 19 2.908 -3.927 -2.561
143 HD21 LEU 19 HD21 LEU 19 4.686 -5.096 -4.579
144 HD22 LEU 19 HD22 LEU 19 5.775 -3.747 -4.901
145 HD23 LEU 19 HD23 LEU 19 4.040 -3.466 -4.763
146 H LEU 20 H LEU 20 5.615 0.425 -1.487
147 HA LEU 20 HA LEU 20 8.127 1.237 -2.638
148 HB2 LEU 20 HB2 LEU 20 5.740 2.364 -2.403
149 HB3 LEU 20 HB3 LEU 20 6.422 3.016 -0.914
150 HG LEU 20 HG LEU 20 7.997 3.216 -3.465
151 HD11 LEU 20 HD11 LEU 20 5.795 5.114 -2.595
152 HD12 LEU 20 HD12 LEU 20 5.752 4.074 -4.019
153 HD13 LEU 20 HD13 LEU 20 6.921 5.391 -3.922
154 HD21 LEU 20 HD21 LEU 20 7.986 4.373 -0.745
155 HD22 LEU 20 HD22 LEU 20 8.278 5.541 -2.035
156 HD23 LEU 20 HD23 LEU 20 9.330 4.136 -1.862
157 H ARG 21 H ARG 21 6.927 1.063 0.730
158 HA ARG 21 HA ARG 21 9.136 2.350 2.019
159 HB2 ARG 21 HB2 ARG 21 7.248 0.137 2.896
160 HB3 ARG 21 HB3 ARG 21 8.291 1.038 3.994
161 HG2 ARG 21 HG2 ARG 21 6.773 2.830 2.272
162 HG3 ARG 21 HG3 ARG 21 5.708 1.762 3.186
163 HD2 ARG 21 HD2 ARG 21 7.370 2.430 5.184
164 HD3 ARG 21 HD3 ARG 21 7.565 3.881 4.181
165 HE ARG 21 HE ARG 21 4.844 2.867 4.919
166 HH11 ARG 21 HH21 ARG 21 5.985 4.716 6.932
167 HH12 ARG 21 HH22 ARG 21 5.461 6.267 6.371
168 HH21 ARG 21 HH11 ARG 21 4.690 5.141 3.174
169 HH22 ARG 21 HH12 ARG 21 4.722 6.508 4.235
170 H ARG 22 H ARG 22 8.576 -1.084 1.183
171 HA ARG 22 HA ARG 22 10.966 -2.149 2.356
172 HB2 ARG 22 HB2 ARG 22 8.762 -2.967 0.664
173 HB3 ARG 22 HB3 ARG 22 10.271 -3.634 0.040
174 HG2 ARG 22 HG2 ARG 22 10.795 -4.441 2.367
175 HG3 ARG 22 HG3 ARG 22 9.178 -3.928 2.851
176 HD2 ARG 22 HD2 ARG 22 8.190 -5.440 1.144
177 HD3 ARG 22 HD3 ARG 22 9.822 -5.984 0.703
178 HE ARG 22 HE ARG 22 8.617 -6.366 3.421
179 HH11 ARG 22 HH11 ARG 22 8.861 -8.661 1.467
180 HH12 ARG 22 HH12 ARG 22 10.332 -9.414 1.989
181 HH21 ARG 22 HH21 ARG 22 11.368 -6.683 3.874
182 HH22 ARG 22 HH22 ARG 22 11.753 -8.291 3.360
183 H LEU 23 H LEU 23 10.277 -0.890 -0.919
184 HA LEU 23 HA LEU 23 12.822 -1.468 -2.101
185 HB2 LEU 23 HB2 LEU 23 10.498 -0.625 -3.033
186 HB3 LEU 23 HB3 LEU 23 11.194 0.974 -2.768
187 HG LEU 23 HG LEU 23 12.949 -0.989 -4.142
188 HD11 LEU 23 HD11 LEU 23 11.851 -0.757 -6.286
189 HD12 LEU 23 HD12 LEU 23 10.634 0.318 -5.598
190 HD13 LEU 23 HD13 LEU 23 10.668 -1.383 -5.136
191 HD21 LEU 23 HD21 LEU 23 12.263 1.791 -5.058
192 HD22 LEU 23 HD22 LEU 23 13.801 0.934 -5.159
193 HD23 LEU 23 HD23 LEU 23 13.251 1.578 -3.612
194 H HIS 24 H HIS 24 11.647 1.328 -0.224
195 HA HIS 24 HA HIS 24 13.951 3.013 -0.575
196 HB2 HIS 24 HB2 HIS 24 11.518 3.404 0.365
197 HB3 HIS 24 HB3 HIS 24 12.250 2.968 1.909
198 HD1 HIS 24 HD1 HIS 24 13.026 4.979 3.150
199 HD2 HIS 24 HD2 HIS 24 13.405 5.496 -0.970
200 HE1 HIS 24 HE1 HIS 24 14.003 7.289 2.804
201 H GLN 25 H GLN 25 13.128 0.549 1.881
202 HA GLN 25 HA GLN 25 15.442 1.019 3.554
203 HB2 GLN 25 HB2 GLN 25 13.089 -0.437 3.651
204 HB3 GLN 25 HB3 GLN 25 14.311 -1.700 3.500
205 HG2 GLN 25 HG2 GLN 25 15.174 0.340 5.376
206 HG3 GLN 25 HG3 GLN 25 13.606 -0.319 5.845
207 HE21 GLN 25 HE21 GLN 25 16.820 -1.520 4.683
208 HE22 GLN 25 HE22 GLN 25 16.816 -2.899 5.672
209 H TRP 26 H TRP 26 14.806 -1.102 0.775
210 HA TRP 26 HA TRP 26 17.254 -2.637 0.970
211 HB2 TRP 26 HB2 TRP 26 14.902 -2.397 -0.699
212 HB3 TRP 26 HB3 TRP 26 16.340 -2.532 -1.710
213 HD1 TRP 26 HD1 TRP 26 13.971 -4.585 0.211
214 HE1 TRP 26 HE1 TRP 26 14.860 -6.991 0.485
215 HE3 TRP 26 HE3 TRP 26 18.814 -3.910 -1.261
216 HZ2 TRP 26 HZ2 TRP 26 17.303 -8.437 0.125
217 HZ3 TRP 26 HZ3 TRP 26 20.399 -5.815 -1.285
218 HH2 TRP 26 HH2 TRP 26 19.650 -8.076 -0.595
219 H ILE 27 H ILE 27 16.438 0.477 -0.500
220 HA ILE 27 HA ILE 27 18.799 0.638 -2.187
221 HB ILE 27 HB ILE 27 16.420 1.895 -2.098
222 HG12 ILE 27 HG12 ILE 27 18.179 3.835 -3.195
223 HG13 ILE 27 HG13 ILE 27 18.935 2.262 -3.449
224 HG21 ILE 27 HG21 ILE 27 16.510 4.083 -1.199
225 HG22 ILE 27 HG22 ILE 27 18.260 4.016 -0.987
226 HG23 ILE 27 HG23 ILE 27 17.208 3.068 0.061
227 HD11 ILE 27 HD11 ILE 27 16.041 2.848 -4.124
228 HD12 ILE 27 HD12 ILE 27 16.969 1.412 -4.557
229 HD13 ILE 27 HD13 ILE 27 17.357 2.968 -5.292
230 H SER 28 H SER 28 18.085 1.518 1.164
231 HA SER 28 HA SER 28 19.480 2.292 2.897
232 HB2 SER 28 HB2 SER 28 20.710 0.273 1.634
233 HB3 SER 28 HB3 SER 28 21.871 1.545 1.260
234 HG SER 28 HG SER 28 22.204 1.867 3.408
Start of MODEL 22
1 H1 SER 1 H1 SER 1 -23.902 0.030 -0.836
2 H2 SER 1 H2 SER 1 -24.063 -1.627 -0.495
3 H3 SER 1 H3 SER 1 -22.959 -1.103 -1.676
4 HA SER 1 HA SER 1 -22.767 -0.492 1.236
5 HB2 SER 1 HB2 SER 1 -21.245 -2.409 -0.561
6 HB3 SER 1 HB3 SER 1 -20.956 -2.163 1.158
7 HG SER 1 HG SER 1 -22.310 -3.855 1.119
8 H ASP 2 H ASP 2 -21.750 1.469 1.383
9 HA ASP 2 HA ASP 2 -19.810 2.251 -0.758
10 HB2 ASP 2 HB2 ASP 2 -20.321 4.526 -0.074
11 HB3 ASP 2 HB3 ASP 2 -21.842 3.658 -0.268
12 H ALA 3 H ALA 3 -20.170 1.973 2.786
13 HA ALA 3 HA ALA 3 -17.587 3.038 3.481
14 HB1 ALA 3 HB1 ALA 3 -19.394 2.847 5.085
15 HB2 ALA 3 HB2 ALA 3 -18.086 1.798 5.630
16 HB3 ALA 3 HB3 ALA 3 -19.496 1.105 4.831
17 H ALA 4 H ALA 4 -18.717 -0.356 3.136
18 HA ALA 4 HA ALA 4 -16.212 -1.628 3.637
19 HB1 ALA 4 HB1 ALA 4 -18.492 -2.484 1.821
20 HB2 ALA 4 HB2 ALA 4 -18.481 -2.681 3.574
21 HB3 ALA 4 HB3 ALA 4 -17.311 -3.550 2.583
22 H ALA 5 H ALA 5 -17.659 -0.423 0.600
23 HA ALA 5 HA ALA 5 -15.673 -1.430 -1.201
24 HB1 ALA 5 HB1 ALA 5 -17.751 -0.629 -2.058
25 HB2 ALA 5 HB2 ALA 5 -16.564 0.563 -2.590
26 HB3 ALA 5 HB3 ALA 5 -17.598 0.907 -1.203
27 H ARG 6 H ARG 6 -15.882 1.677 0.578
28 HA ARG 6 HA ARG 6 -13.520 2.857 -0.526
29 HB2 ARG 6 HB2 ARG 6 -15.510 3.452 1.387
30 HB3 ARG 6 HB3 ARG 6 -13.981 3.537 2.260
31 HG2 ARG 6 HG2 ARG 6 -13.443 5.481 1.259
32 HG3 ARG 6 HG3 ARG 6 -13.721 4.789 -0.339
33 HD2 ARG 6 HD2 ARG 6 -16.301 5.091 0.592
34 HD3 ARG 6 HD3 ARG 6 -15.485 6.511 1.278
35 HE ARG 6 HE ARG 6 -15.555 5.831 -1.634
36 HH11 ARG 6 HH11 ARG 6 -16.968 8.255 -0.610
37 HH12 ARG 6 HH12 ARG 6 -15.813 9.511 -0.904
38 HH21 ARG 6 HH21 ARG 6 -13.149 7.317 -1.332
39 HH22 ARG 6 HH22 ARG 6 -13.641 8.978 -1.315
40 H VAL 7 H VAL 7 -14.031 0.630 2.147
41 HA VAL 7 HA VAL 7 -11.377 0.661 3.247
42 HB VAL 7 HB VAL 7 -13.504 -1.512 3.095
43 HG11 VAL 7 HG11 VAL 7 -11.318 -2.477 3.648
44 HG12 VAL 7 HG12 VAL 7 -12.344 -2.459 5.082
45 HG13 VAL 7 HG13 VAL 7 -11.072 -1.252 4.892
46 HG21 VAL 7 HG21 VAL 7 -14.542 -0.475 4.828
47 HG22 VAL 7 HG22 VAL 7 -13.606 0.945 4.361
48 HG23 VAL 7 HG23 VAL 7 -13.016 -0.119 5.638
49 H THR 8 H THR 8 -12.897 -1.204 0.603
50 HA THR 8 HA THR 8 -10.652 -2.914 0.045
51 HB THR 8 HB THR 8 -12.784 -1.879 -1.846
52 HG1 THR 8 HG1 THR 8 -12.845 -3.966 0.072
53 HG21 THR 8 HG21 THR 8 -12.505 -4.143 -2.865
54 HG22 THR 8 HG22 THR 8 -11.165 -4.438 -1.757
55 HG23 THR 8 HG23 THR 8 -11.046 -3.158 -2.965
56 H ALA 9 H ALA 9 -11.596 0.292 -1.105
57 HA ALA 9 HA ALA 9 -9.569 0.562 -3.133
58 HB1 ALA 9 HB1 ALA 9 -10.311 2.830 -3.198
59 HB2 ALA 9 HB2 ALA 9 -10.806 2.789 -1.506
60 HB3 ALA 9 HB3 ALA 9 -11.732 1.903 -2.719
61 H ILE 10 H ILE 10 -9.680 1.467 0.286
62 HA ILE 10 HA ILE 10 -7.160 2.807 0.456
63 HB ILE 10 HB ILE 10 -8.845 1.194 2.394
64 HG12 ILE 10 HG12 ILE 10 -9.726 3.372 1.531
65 HG13 ILE 10 HG13 ILE 10 -9.443 3.394 3.270
66 HG21 ILE 10 HG21 ILE 10 -6.718 1.009 3.392
67 HG22 ILE 10 HG22 ILE 10 -7.393 2.453 4.144
68 HG23 ILE 10 HG23 ILE 10 -6.218 2.607 2.838
69 HD11 ILE 10 HD11 ILE 10 -8.597 5.451 2.148
70 HD12 ILE 10 HD12 ILE 10 -7.502 4.454 1.192
71 HD13 ILE 10 HD13 ILE 10 -7.309 4.545 2.942
72 H LEU 11 H LEU 11 -8.041 -0.634 0.692
73 HA LEU 11 HA LEU 11 -5.449 -1.646 1.380
74 HB2 LEU 11 HB2 LEU 11 -7.628 -2.845 1.572
75 HB3 LEU 11 HB3 LEU 11 -7.717 -2.912 -0.188
76 HG LEU 11 HG LEU 11 -5.523 -4.146 -0.183
77 HD11 LEU 11 HD11 LEU 11 -6.031 -4.065 2.802
78 HD12 LEU 11 HD12 LEU 11 -4.605 -3.488 1.939
79 HD13 LEU 11 HD13 LEU 11 -4.933 -5.217 2.044
80 HD21 LEU 11 HD21 LEU 11 -7.862 -5.338 1.338
81 HD22 LEU 11 HD22 LEU 11 -6.523 -6.285 0.690
82 HD23 LEU 11 HD23 LEU 11 -7.588 -5.403 -0.404
83 H SER 12 H SER 12 -7.025 -0.983 -1.719
84 HA SER 12 HA SER 12 -5.085 -2.131 -3.470
85 HB2 SER 12 HB2 SER 12 -7.472 -1.050 -3.812
86 HB3 SER 12 HB3 SER 12 -6.546 0.420 -4.101
87 HG SER 12 HG SER 12 -6.987 -1.610 -5.752
88 H SER 13 H SER 13 -5.327 1.203 -2.157
89 HA SER 13 HA SER 13 -2.846 2.082 -3.417
90 HB2 SER 13 HB2 SER 13 -3.229 4.045 -1.855
91 HB3 SER 13 HB3 SER 13 -4.594 3.670 -2.902
92 HG SER 13 HG SER 13 -5.726 3.222 -1.191
93 H LEU 14 H LEU 14 -3.746 0.727 -0.263
94 HA LEU 14 HA LEU 14 -1.386 1.297 1.218
95 HB2 LEU 14 HB2 LEU 14 -3.681 -0.547 1.299
96 HB3 LEU 14 HB3 LEU 14 -2.242 -1.184 2.094
97 HG LEU 14 HG LEU 14 -3.280 1.608 2.625
98 HD11 LEU 14 HD11 LEU 14 -4.859 -0.440 3.161
99 HD12 LEU 14 HD12 LEU 14 -4.625 0.832 4.359
100 HD13 LEU 14 HD13 LEU 14 -3.742 -0.687 4.503
101 HD21 LEU 14 HD21 LEU 14 -1.904 1.400 4.644
102 HD22 LEU 14 HD22 LEU 14 -0.916 1.072 3.222
103 HD23 LEU 14 HD23 LEU 14 -1.494 -0.262 4.220
104 H THR 15 H THR 15 -2.109 -1.467 -0.955
105 HA THR 15 HA THR 15 0.287 -2.953 -0.483
106 HB THR 15 HB THR 15 -0.251 -3.975 -2.682
107 HG1 THR 15 HG1 THR 15 -2.329 -2.068 -2.888
108 HG21 THR 15 HG21 THR 15 -1.758 -5.107 -1.462
109 HG22 THR 15 HG22 THR 15 -2.969 -3.916 -1.936
110 HG23 THR 15 HG23 THR 15 -2.055 -3.700 -0.442
111 H VAL 16 H VAL 16 -0.422 -0.337 -2.808
112 HA VAL 16 HA VAL 16 2.100 -0.355 -4.178
113 HB VAL 16 HB VAL 16 0.124 1.886 -3.596
114 HG11 VAL 16 HG11 VAL 16 2.415 1.624 -5.550
115 HG12 VAL 16 HG12 VAL 16 2.114 2.919 -4.391
116 HG13 VAL 16 HG13 VAL 16 1.088 2.754 -5.816
117 HG21 VAL 16 HG21 VAL 16 0.253 -0.336 -5.605
118 HG22 VAL 16 HG22 VAL 16 -0.416 1.215 -6.112
119 HG23 VAL 16 HG23 VAL 16 -1.147 0.336 -4.770
120 H THR 17 H THR 17 0.954 1.406 -1.284
121 HA THR 17 HA THR 17 3.318 2.966 -0.827
122 HB THR 17 HB THR 17 1.339 1.829 1.182
123 HG1 THR 17 HG1 THR 17 -0.061 3.077 0.273
124 HG21 THR 17 HG21 THR 17 2.875 2.894 2.520
125 HG22 THR 17 HG22 THR 17 1.902 4.294 2.070
126 HG23 THR 17 HG23 THR 17 3.415 3.966 1.227
127 H GLN 18 H GLN 18 2.352 -0.301 0.259
128 HA GLN 18 HA GLN 18 4.542 -0.809 2.012
129 HB2 GLN 18 HB2 GLN 18 2.324 -2.192 0.817
130 HB3 GLN 18 HB3 GLN 18 3.761 -3.205 0.680
131 HG2 GLN 18 HG2 GLN 18 3.996 -3.428 2.962
132 HG3 GLN 18 HG3 GLN 18 3.285 -1.849 3.296
133 HE21 GLN 18 HE21 GLN 18 0.888 -1.689 3.223
134 HE22 GLN 18 HE22 GLN 18 -0.065 -3.084 3.390
135 H LEU 19 H LEU 19 4.197 -1.273 -1.477
136 HA LEU 19 HA LEU 19 6.655 -2.634 -1.987
137 HB2 LEU 19 HB2 LEU 19 4.594 -1.129 -3.438
138 HB3 LEU 19 HB3 LEU 19 6.191 -0.934 -4.158
139 HG LEU 19 HG LEU 19 5.000 -2.876 -5.122
140 HD11 LEU 19 HD11 LEU 19 7.226 -3.913 -3.363
141 HD12 LEU 19 HD12 LEU 19 7.542 -2.815 -4.706
142 HD13 LEU 19 HD13 LEU 19 6.819 -4.394 -5.009
143 HD21 LEU 19 HD21 LEU 19 5.077 -3.919 -2.272
144 HD22 LEU 19 HD22 LEU 19 4.578 -4.853 -3.682
145 HD23 LEU 19 HD23 LEU 19 3.630 -3.458 -3.167
146 H LEU 20 H LEU 20 5.890 0.849 -1.823
147 HA LEU 20 HA LEU 20 8.558 1.807 -2.371
148 HB2 LEU 20 HB2 LEU 20 6.087 2.887 -2.223
149 HB3 LEU 20 HB3 LEU 20 6.675 3.325 -0.619
150 HG LEU 20 HG LEU 20 8.791 3.865 -2.432
151 HD11 LEU 20 HD11 LEU 20 6.058 4.615 -3.443
152 HD12 LEU 20 HD12 LEU 20 7.445 4.002 -4.343
153 HD13 LEU 20 HD13 LEU 20 7.435 5.668 -3.766
154 HD21 LEU 20 HD21 LEU 20 8.700 5.983 -1.450
155 HD22 LEU 20 HD22 LEU 20 7.866 5.006 -0.242
156 HD23 LEU 20 HD23 LEU 20 6.937 5.985 -1.377
157 H ARG 21 H ARG 21 6.782 1.046 0.635
158 HA ARG 21 HA ARG 21 8.705 1.965 2.530
159 HB2 ARG 21 HB2 ARG 21 6.445 1.363 3.144
160 HB3 ARG 21 HB3 ARG 21 6.657 -0.275 2.530
161 HG2 ARG 21 HG2 ARG 21 8.730 0.249 4.444
162 HG3 ARG 21 HG3 ARG 21 7.181 0.689 5.162
163 HD2 ARG 21 HD2 ARG 21 6.711 -1.743 3.793
164 HD3 ARG 21 HD3 ARG 21 8.242 -1.958 4.661
165 HE ARG 21 HE ARG 21 6.996 -1.908 6.662
166 HH11 ARG 21 HH21 ARG 21 4.451 -2.387 5.101
167 HH12 ARG 21 HH22 ARG 21 3.459 -1.071 5.637
168 HH21 ARG 21 HH11 ARG 21 6.119 0.735 6.960
169 HH22 ARG 21 HH12 ARG 21 4.409 0.706 6.690
170 H ARG 22 H ARG 22 8.351 -1.224 0.934
171 HA ARG 22 HA ARG 22 10.504 -2.568 2.269
172 HB2 ARG 22 HB2 ARG 22 8.590 -3.050 0.254
173 HB3 ARG 22 HB3 ARG 22 10.151 -3.335 -0.515
174 HG2 ARG 22 HG2 ARG 22 10.349 -4.518 2.034
175 HG3 ARG 22 HG3 ARG 22 8.754 -4.969 1.427
176 HD2 ARG 22 HD2 ARG 22 11.255 -5.233 -0.271
177 HD3 ARG 22 HD3 ARG 22 10.656 -6.547 0.760
178 HE ARG 22 HE ARG 22 8.388 -5.835 -0.586
179 HH11 ARG 22 HH21 ARG 22 9.937 -4.673 -2.812
180 HH12 ARG 22 HH22 ARG 22 10.225 -6.037 -3.841
181 HH21 ARG 22 HH11 ARG 22 9.473 -8.381 -1.387
182 HH22 ARG 22 HH12 ARG 22 9.962 -8.143 -3.031
183 H LEU 23 H LEU 23 10.407 -0.681 -0.762
184 HA LEU 23 HA LEU 23 13.121 -1.024 -1.571
185 HB2 LEU 23 HB2 LEU 23 11.093 -0.012 -2.786
186 HB3 LEU 23 HB3 LEU 23 11.439 1.474 -1.903
187 HG LEU 23 HG LEU 23 13.863 0.407 -3.087
188 HD11 LEU 23 HD11 LEU 23 13.304 0.623 -5.424
189 HD12 LEU 23 HD12 LEU 23 11.666 1.153 -5.039
190 HD13 LEU 23 HD13 LEU 23 12.155 -0.510 -4.713
191 HD21 LEU 23 HD21 LEU 23 12.374 2.950 -3.780
192 HD22 LEU 23 HD22 LEU 23 14.113 2.665 -3.818
193 HD23 LEU 23 HD23 LEU 23 13.271 2.770 -2.273
194 H HIS 24 H HIS 24 11.605 1.378 0.594
195 HA HIS 24 HA HIS 24 13.930 2.997 1.055
196 HB2 HIS 24 HB2 HIS 24 11.438 3.407 1.565
197 HB3 HIS 24 HB3 HIS 24 11.690 2.430 3.011
198 HD1 HIS 24 HD1 HIS 24 10.961 5.188 3.700
199 HD2 HIS 24 HD2 HIS 24 14.915 4.209 2.808
200 HE1 HIS 24 HE1 HIS 24 12.402 6.995 4.738
201 H GLN 25 H GLN 25 12.630 0.132 2.763
202 HA GLN 25 HA GLN 25 14.509 0.075 4.921
203 HB2 GLN 25 HB2 GLN 25 12.340 -1.220 4.619
204 HB3 GLN 25 HB3 GLN 25 13.214 -2.281 3.513
205 HG2 GLN 25 HG2 GLN 25 14.823 -2.832 5.302
206 HG3 GLN 25 HG3 GLN 25 13.959 -1.767 6.410
207 HE21 GLN 25 HE21 GLN 25 13.122 -3.348 7.870
208 HE22 GLN 25 HE22 GLN 25 12.060 -4.583 7.393
209 H TRP 26 H TRP 26 14.681 -1.165 1.595
210 HA TRP 26 HA TRP 26 17.120 -2.684 1.915
211 HB2 TRP 26 HB2 TRP 26 15.234 -1.887 -0.147
212 HB3 TRP 26 HB3 TRP 26 16.888 -1.761 -0.743
213 HD1 TRP 26 HD1 TRP 26 14.418 -4.293 0.731
214 HE1 TRP 26 HE1 TRP 26 15.230 -6.670 0.147
215 HE3 TRP 26 HE3 TRP 26 18.932 -3.189 -1.389
216 HZ2 TRP 26 HZ2 TRP 26 17.493 -7.934 -1.059
217 HZ3 TRP 26 HZ3 TRP 26 20.394 -4.997 -2.246
218 HH2 TRP 26 HH2 TRP 26 19.681 -7.366 -2.085
219 H ILE 27 H ILE 27 16.410 0.710 1.174
220 HA ILE 27 HA ILE 27 19.209 1.362 0.534
221 HB ILE 27 HB ILE 27 16.694 3.009 0.984
222 HG12 ILE 27 HG12 ILE 27 18.070 2.585 -1.655
223 HG13 ILE 27 HG13 ILE 27 17.010 1.324 -1.025
224 HG21 ILE 27 HG21 ILE 27 18.010 4.792 -0.234
225 HG22 ILE 27 HG22 ILE 27 19.446 3.790 -0.020
226 HG23 ILE 27 HG23 ILE 27 18.602 4.432 1.389
227 HD11 ILE 27 HD11 ILE 27 15.466 2.590 -2.193
228 HD12 ILE 27 HD12 ILE 27 16.335 4.099 -1.914
229 HD13 ILE 27 HD13 ILE 27 15.376 3.381 -0.620
230 H SER 28 H SER 28 16.914 2.051 3.203
231 HA SER 28 HA SER 28 19.263 2.803 4.919
232 HB2 SER 28 HB2 SER 28 16.507 3.891 4.518
233 HB3 SER 28 HB3 SER 28 17.186 3.982 6.141
234 HG SER 28 HG SER 28 17.898 5.791 5.159
Start of MODEL 23
1 H1 SER 1 H1 SER 1 -20.097 -2.556 -8.177
2 H2 SER 1 H2 SER 1 -19.282 -3.760 -7.298
3 H3 SER 1 H3 SER 1 -18.546 -3.052 -8.657
4 HA SER 1 HA SER 1 -17.641 -2.193 -6.530
5 HB2 SER 1 HB2 SER 1 -19.186 -0.324 -8.359
6 HB3 SER 1 HB3 SER 1 -17.861 0.168 -7.310
7 HG SER 1 HG SER 1 -16.702 -0.346 -9.001
8 H ASP 2 H ASP 2 -18.222 -1.812 -4.431
9 HA ASP 2 HA ASP 2 -20.880 -0.567 -3.858
10 HB2 ASP 2 HB2 ASP 2 -19.860 -3.260 -3.254
11 HB3 ASP 2 HB3 ASP 2 -20.484 -2.419 -1.835
12 H ALA 3 H ALA 3 -20.902 -0.104 -1.334
13 HA ALA 3 HA ALA 3 -18.867 1.798 -0.714
14 HB1 ALA 3 HB1 ALA 3 -19.931 1.721 1.539
15 HB2 ALA 3 HB2 ALA 3 -20.781 0.250 1.065
16 HB3 ALA 3 HB3 ALA 3 -21.133 1.773 0.248
17 H ALA 4 H ALA 4 -19.307 -1.581 0.385
18 HA ALA 4 HA ALA 4 -17.064 -1.721 2.148
19 HB1 ALA 4 HB1 ALA 4 -18.973 -3.341 1.911
20 HB2 ALA 4 HB2 ALA 4 -17.394 -4.128 1.909
21 HB3 ALA 4 HB3 ALA 4 -18.262 -3.890 0.392
22 H ALA 5 H ALA 5 -17.337 -2.321 -1.367
23 HA ALA 5 HA ALA 5 -14.660 -3.273 -1.781
24 HB1 ALA 5 HB1 ALA 5 -16.260 -1.646 -3.760
25 HB2 ALA 5 HB2 ALA 5 -16.780 -3.267 -3.299
26 HB3 ALA 5 HB3 ALA 5 -15.213 -3.030 -4.074
27 H ARG 6 H ARG 6 -16.062 0.018 -1.829
28 HA ARG 6 HA ARG 6 -13.707 1.401 -2.690
29 HB2 ARG 6 HB2 ARG 6 -16.238 2.106 -2.291
30 HB3 ARG 6 HB3 ARG 6 -15.630 2.568 -0.701
31 HG2 ARG 6 HG2 ARG 6 -14.110 4.142 -1.613
32 HG3 ARG 6 HG3 ARG 6 -14.252 3.462 -3.235
33 HD2 ARG 6 HD2 ARG 6 -16.688 4.172 -3.228
34 HD3 ARG 6 HD3 ARG 6 -16.351 5.052 -1.723
35 HE ARG 6 HE ARG 6 -14.752 6.442 -2.952
36 HH11 ARG 6 HH11 ARG 6 -17.240 6.735 -4.588
37 HH12 ARG 6 HH12 ARG 6 -16.665 6.425 -6.192
38 HH21 ARG 6 HH21 ARG 6 -13.707 4.941 -5.126
39 HH22 ARG 6 HH22 ARG 6 -14.656 5.406 -6.498
40 H VAL 7 H VAL 7 -14.801 0.321 0.473
41 HA VAL 7 HA VAL 7 -12.796 1.616 2.078
42 HB VAL 7 HB VAL 7 -14.347 -0.980 2.430
43 HG11 VAL 7 HG11 VAL 7 -12.541 -1.061 3.985
44 HG12 VAL 7 HG12 VAL 7 -13.921 -0.458 4.903
45 HG13 VAL 7 HG13 VAL 7 -12.676 0.661 4.344
46 HG21 VAL 7 HG21 VAL 7 -15.295 1.618 2.290
47 HG22 VAL 7 HG22 VAL 7 -15.079 1.379 4.024
48 HG23 VAL 7 HG23 VAL 7 -16.109 0.283 3.104
49 H THR 8 H THR 8 -12.925 -1.522 0.378
50 HA THR 8 HA THR 8 -10.382 -2.514 1.294
51 HB THR 8 HB THR 8 -11.883 -3.072 -1.283
52 HG1 THR 8 HG1 THR 8 -13.288 -4.051 -0.088
53 HG21 THR 8 HG21 THR 8 -9.510 -3.958 -1.008
54 HG22 THR 8 HG22 THR 8 -10.750 -5.177 -1.296
55 HG23 THR 8 HG23 THR 8 -10.122 -4.925 0.333
56 H ALA 9 H ALA 9 -11.369 -0.523 -1.455
57 HA ALA 9 HA ALA 9 -8.883 -0.507 -2.872
58 HB1 ALA 9 HB1 ALA 9 -11.076 0.245 -3.758
59 HB2 ALA 9 HB2 ALA 9 -9.853 1.502 -3.939
60 HB3 ALA 9 HB3 ALA 9 -11.043 1.610 -2.643
61 H ILE 10 H ILE 10 -10.132 1.560 -0.291
62 HA ILE 10 HA ILE 10 -8.006 3.476 -0.209
63 HB ILE 10 HB ILE 10 -9.842 2.323 1.927
64 HG12 ILE 10 HG12 ILE 10 -10.047 5.051 0.669
65 HG13 ILE 10 HG13 ILE 10 -10.684 3.647 -0.186
66 HG21 ILE 10 HG21 ILE 10 -8.075 3.323 3.153
67 HG22 ILE 10 HG22 ILE 10 -9.306 4.582 3.056
68 HG23 ILE 10 HG23 ILE 10 -7.900 4.638 1.992
69 HD11 ILE 10 HD11 ILE 10 -11.814 3.117 2.136
70 HD12 ILE 10 HD12 ILE 10 -12.547 4.296 1.049
71 HD13 ILE 10 HD13 ILE 10 -11.576 4.842 2.417
72 H LEU 11 H LEU 11 -8.428 0.305 1.358
73 HA LEU 11 HA LEU 11 -5.989 0.320 2.878
74 HB2 LEU 11 HB2 LEU 11 -8.200 -1.201 2.801
75 HB3 LEU 11 HB3 LEU 11 -7.155 -2.208 1.799
76 HG LEU 11 HG LEU 11 -6.141 -1.143 4.424
77 HD11 LEU 11 HD11 LEU 11 -8.394 -2.305 4.726
78 HD12 LEU 11 HD12 LEU 11 -7.044 -3.012 5.614
79 HD13 LEU 11 HD13 LEU 11 -7.614 -3.770 4.128
80 HD21 LEU 11 HD21 LEU 11 -5.421 -3.217 2.419
81 HD22 LEU 11 HD22 LEU 11 -5.162 -3.654 4.108
82 HD23 LEU 11 HD23 LEU 11 -4.375 -2.225 3.436
83 H SER 12 H SER 12 -6.803 -0.760 -0.389
84 HA SER 12 HA SER 12 -4.341 -2.061 -1.055
85 HB2 SER 12 HB2 SER 12 -6.666 -1.907 -2.246
86 HB3 SER 12 HB3 SER 12 -6.000 -0.464 -3.003
87 HG SER 12 HG SER 12 -4.274 -1.752 -3.758
88 H SER 13 H SER 13 -5.291 1.360 -1.104
89 HA SER 13 HA SER 13 -2.992 2.335 -2.570
90 HB2 SER 13 HB2 SER 13 -5.278 3.365 -1.008
91 HB3 SER 13 HB3 SER 13 -3.851 4.396 -0.948
92 HG SER 13 HG SER 13 -5.500 4.546 -2.789
93 H LEU 14 H LEU 14 -3.710 1.807 0.875
94 HA LEU 14 HA LEU 14 -1.341 3.034 1.952
95 HB2 LEU 14 HB2 LEU 14 -3.683 1.799 2.855
96 HB3 LEU 14 HB3 LEU 14 -2.395 0.751 3.444
97 HG LEU 14 HG LEU 14 -2.861 2.484 5.104
98 HD11 LEU 14 HD11 LEU 14 -0.630 3.249 5.449
99 HD12 LEU 14 HD12 LEU 14 -0.280 3.241 3.720
100 HD13 LEU 14 HD13 LEU 14 -0.472 1.717 4.589
101 HD21 LEU 14 HD21 LEU 14 -3.675 4.110 3.243
102 HD22 LEU 14 HD22 LEU 14 -1.977 4.573 3.115
103 HD23 LEU 14 HD23 LEU 14 -2.839 4.796 4.637
104 H THR 15 H THR 15 -2.097 -0.393 1.169
105 HA THR 15 HA THR 15 0.392 -1.518 1.972
106 HB THR 15 HB THR 15 -0.259 -3.295 0.253
107 HG1 THR 15 HG1 THR 15 -1.421 -2.361 -1.259
108 HG21 THR 15 HG21 THR 15 -1.108 -3.026 2.702
109 HG22 THR 15 HG22 THR 15 -1.964 -4.131 1.626
110 HG23 THR 15 HG23 THR 15 -2.623 -2.527 1.948
111 H VAL 16 H VAL 16 -0.563 -0.011 -1.122
112 HA VAL 16 HA VAL 16 1.793 -0.616 -2.621
113 HB VAL 16 HB VAL 16 -0.263 1.609 -2.639
114 HG11 VAL 16 HG11 VAL 16 0.684 2.179 -4.925
115 HG12 VAL 16 HG12 VAL 16 2.099 1.218 -4.499
116 HG13 VAL 16 HG13 VAL 16 1.697 2.660 -3.565
117 HG21 VAL 16 HG21 VAL 16 -0.971 -0.650 -3.338
118 HG22 VAL 16 HG22 VAL 16 0.344 -0.704 -4.512
119 HG23 VAL 16 HG23 VAL 16 -0.971 0.455 -4.713
120 H THR 17 H THR 17 1.038 2.113 -0.428
121 HA THR 17 HA THR 17 3.474 3.583 -0.798
122 HB THR 17 HB THR 17 1.739 3.320 1.686
123 HG1 THR 17 HG1 THR 17 1.449 4.854 -0.677
124 HG21 THR 17 HG21 THR 17 3.522 5.541 0.650
125 HG22 THR 17 HG22 THR 17 3.797 4.558 2.089
126 HG23 THR 17 HG23 THR 17 2.444 5.687 2.039
127 H GLN 18 H GLN 18 2.565 1.038 1.549
128 HA GLN 18 HA GLN 18 5.056 0.983 2.976
129 HB2 GLN 18 HB2 GLN 18 2.572 -0.569 2.731
130 HB3 GLN 18 HB3 GLN 18 3.972 -1.569 3.117
131 HG2 GLN 18 HG2 GLN 18 4.010 -0.810 5.238
132 HG3 GLN 18 HG3 GLN 18 4.011 0.866 4.687
133 HE21 GLN 18 HE21 GLN 18 1.551 -1.797 4.550
134 HE22 GLN 18 HE22 GLN 18 0.297 -0.855 5.203
135 H LEU 19 H LEU 19 3.884 -0.765 0.140
136 HA LEU 19 HA LEU 19 6.035 -2.595 -0.214
137 HB2 LEU 19 HB2 LEU 19 3.936 -1.291 -1.889
138 HB3 LEU 19 HB3 LEU 19 5.268 -2.064 -2.748
139 HG LEU 19 HG LEU 19 3.763 -3.481 -0.544
140 HD11 LEU 19 HD11 LEU 19 2.421 -4.558 -2.312
141 HD12 LEU 19 HD12 LEU 19 3.188 -3.531 -3.524
142 HD13 LEU 19 HD13 LEU 19 2.148 -2.816 -2.292
143 HD21 LEU 19 HD21 LEU 19 5.488 -4.388 -2.874
144 HD22 LEU 19 HD22 LEU 19 4.639 -5.478 -1.777
145 HD23 LEU 19 HD23 LEU 19 5.924 -4.437 -1.166
146 H LEU 20 H LEU 20 5.681 0.815 -1.187
147 HA LEU 20 HA LEU 20 8.101 1.018 -2.730
148 HB2 LEU 20 HB2 LEU 20 5.944 2.613 -2.107
149 HB3 LEU 20 HB3 LEU 20 7.225 3.372 -1.160
150 HG LEU 20 HG LEU 20 7.422 2.728 -4.120
151 HD11 LEU 20 HD11 LEU 20 7.214 5.473 -2.882
152 HD12 LEU 20 HD12 LEU 20 5.776 4.571 -3.360
153 HD13 LEU 20 HD13 LEU 20 6.984 5.008 -4.568
154 HD21 LEU 20 HD21 LEU 20 9.247 4.052 -2.109
155 HD22 LEU 20 HD22 LEU 20 9.378 4.414 -3.830
156 HD23 LEU 20 HD23 LEU 20 9.624 2.765 -3.255
157 H ARG 21 H ARG 21 7.368 1.489 0.738
158 HA ARG 21 HA ARG 21 9.973 2.397 1.549
159 HB2 ARG 21 HB2 ARG 21 7.672 2.364 2.762
160 HB3 ARG 21 HB3 ARG 21 8.090 0.709 3.205
161 HG2 ARG 21 HG2 ARG 21 9.022 1.790 5.010
162 HG3 ARG 21 HG3 ARG 21 10.391 1.894 3.906
163 HD2 ARG 21 HD2 ARG 21 8.544 4.089 3.431
164 HD3 ARG 21 HD3 ARG 21 9.068 4.059 5.125
165 HE ARG 21 HE ARG 21 11.314 3.575 3.375
166 HH11 ARG 21 HH11 ARG 21 9.641 6.055 2.420
167 HH12 ARG 21 HH12 ARG 21 10.562 7.327 3.153
168 HH21 ARG 21 HH21 ARG 21 12.327 5.188 5.254
169 HH22 ARG 21 HH22 ARG 21 12.091 6.832 4.764
170 H ARG 22 H ARG 22 8.552 -0.852 1.170
171 HA ARG 22 HA ARG 22 10.653 -2.395 2.346
172 HB2 ARG 22 HB2 ARG 22 8.528 -2.808 0.250
173 HB3 ARG 22 HB3 ARG 22 9.700 -4.087 0.562
174 HG2 ARG 22 HG2 ARG 22 8.996 -4.353 2.800
175 HG3 ARG 22 HG3 ARG 22 8.194 -2.782 2.826
176 HD2 ARG 22 HD2 ARG 22 6.338 -4.159 2.551
177 HD3 ARG 22 HD3 ARG 22 6.766 -3.910 0.847
178 HE ARG 22 HE ARG 22 8.081 -6.178 2.237
179 HH11 ARG 22 HH11 ARG 22 5.210 -6.863 1.914
180 HH12 ARG 22 HH12 ARG 22 5.162 -7.564 0.331
181 HH21 ARG 22 HH21 ARG 22 8.238 -6.254 -0.624
182 HH22 ARG 22 HH22 ARG 22 6.885 -7.218 -1.113
183 H LEU 23 H LEU 23 10.121 -1.406 -1.056
184 HA LEU 23 HA LEU 23 12.511 -2.536 -2.156
185 HB2 LEU 23 HB2 LEU 23 10.475 -1.678 -3.368
186 HB3 LEU 23 HB3 LEU 23 10.994 -0.036 -2.985
187 HG LEU 23 HG LEU 23 13.241 -0.712 -4.097
188 HD11 LEU 23 HD11 LEU 23 12.726 -3.137 -4.188
189 HD12 LEU 23 HD12 LEU 23 13.039 -2.478 -5.794
190 HD13 LEU 23 HD13 LEU 23 11.382 -2.798 -5.279
191 HD21 LEU 23 HD21 LEU 23 11.601 0.881 -5.062
192 HD22 LEU 23 HD22 LEU 23 10.723 -0.472 -5.777
193 HD23 LEU 23 HD23 LEU 23 12.361 -0.101 -6.315
194 H HIS 24 H HIS 24 11.829 0.643 -0.693
195 HA HIS 24 HA HIS 24 14.358 1.886 -1.234
196 HB2 HIS 24 HB2 HIS 24 12.474 3.204 -0.566
197 HB3 HIS 24 HB3 HIS 24 12.197 2.212 0.865
198 HD1 HIS 24 HD1 HIS 24 14.818 4.598 -0.535
199 HD2 HIS 24 HD2 HIS 24 13.504 3.127 3.137
200 HE1 HIS 24 HE1 HIS 24 16.090 5.873 1.247
201 H GLN 25 H GLN 25 13.179 0.025 1.593
202 HA GLN 25 HA GLN 25 15.518 0.229 3.216
203 HB2 GLN 25 HB2 GLN 25 13.349 -1.869 2.907
204 HB3 GLN 25 HB3 GLN 25 14.558 -1.931 4.188
205 HG2 GLN 25 HG2 GLN 25 12.878 0.538 3.736
206 HG3 GLN 25 HG3 GLN 25 12.303 -0.792 4.740
207 HE21 GLN 25 HE21 GLN 25 14.034 -1.510 6.488
208 HE22 GLN 25 HE22 GLN 25 14.868 -0.249 7.258
209 H TRP 26 H TRP 26 14.627 -2.109 0.668
210 HA TRP 26 HA TRP 26 16.793 -3.936 0.948
211 HB2 TRP 26 HB2 TRP 26 14.802 -3.112 -1.078
212 HB3 TRP 26 HB3 TRP 26 16.259 -3.838 -1.754
213 HD1 TRP 26 HD1 TRP 26 13.248 -4.624 0.438
214 HE1 TRP 26 HE1 TRP 26 13.103 -7.176 0.776
215 HE3 TRP 26 HE3 TRP 26 17.678 -6.048 -1.667
216 HZ2 TRP 26 HZ2 TRP 26 14.659 -9.512 0.225
217 HZ3 TRP 26 HZ3 TRP 26 18.320 -8.440 -1.747
218 HH2 TRP 26 HH2 TRP 26 16.818 -10.173 -0.806
219 H ILE 27 H ILE 27 16.581 -0.815 -0.751
220 HA ILE 27 HA ILE 27 19.312 -1.029 -1.839
221 HB ILE 27 HB ILE 27 17.310 1.259 -1.719
222 HG12 ILE 27 HG12 ILE 27 17.867 -0.303 -4.208
223 HG13 ILE 27 HG13 ILE 27 16.852 -1.064 -2.983
224 HG21 ILE 27 HG21 ILE 27 18.634 2.148 -3.632
225 HG22 ILE 27 HG22 ILE 27 19.790 0.834 -3.416
226 HG23 ILE 27 HG23 ILE 27 19.588 2.046 -2.151
227 HD11 ILE 27 HD11 ILE 27 16.359 1.458 -4.543
228 HD12 ILE 27 HD12 ILE 27 15.601 1.238 -2.965
229 HD13 ILE 27 HD13 ILE 27 15.276 0.094 -4.266
230 H SER 28 H SER 28 17.618 0.925 0.643
231 HA SER 28 HA SER 28 20.169 1.221 2.131
232 HB2 SER 28 HB2 SER 28 19.641 3.752 2.216
233 HB3 SER 28 HB3 SER 28 20.293 3.122 0.708
234 HG SER 28 HG SER 28 17.531 3.480 1.297
Start of MODEL 24
1 H1 SER 1 H1 SER 1 -17.885 7.017 -5.658
2 H2 SER 1 H2 SER 1 -16.652 7.106 -6.824
3 H3 SER 1 H3 SER 1 -16.563 5.956 -5.577
4 HA SER 1 HA SER 1 -18.577 6.006 -7.773
5 HB2 SER 1 HB2 SER 1 -16.257 4.152 -7.138
6 HB3 SER 1 HB3 SER 1 -17.325 4.035 -8.534
7 HG SER 1 HG SER 1 -15.651 5.181 -9.291
8 H ASP 2 H ASP 2 -17.169 3.890 -5.216
9 HA ASP 2 HA ASP 2 -19.943 3.116 -4.426
10 HB2 ASP 2 HB2 ASP 2 -18.948 1.537 -6.122
11 HB3 ASP 2 HB3 ASP 2 -17.662 1.188 -4.967
12 H ALA 3 H ALA 3 -20.139 2.814 -2.211
13 HA ALA 3 HA ALA 3 -18.065 3.750 -0.442
14 HB1 ALA 3 HB1 ALA 3 -20.589 2.149 0.096
15 HB2 ALA 3 HB2 ALA 3 -20.507 3.906 -0.042
16 HB3 ALA 3 HB3 ALA 3 -19.693 3.087 1.291
17 H ALA 4 H ALA 4 -19.362 0.450 -1.042
18 HA ALA 4 HA ALA 4 -17.635 -0.918 0.795
19 HB1 ALA 4 HB1 ALA 4 -19.766 -1.699 -0.393
20 HB2 ALA 4 HB2 ALA 4 -18.457 -2.878 -0.315
21 HB3 ALA 4 HB3 ALA 4 -18.755 -1.990 -1.808
22 H ALA 5 H ALA 5 -17.290 -0.204 -2.696
23 HA ALA 5 HA ALA 5 -14.805 -1.601 -3.080
24 HB1 ALA 5 HB1 ALA 5 -15.643 0.891 -4.564
25 HB2 ALA 5 HB2 ALA 5 -16.563 -0.604 -4.740
26 HB3 ALA 5 HB3 ALA 5 -14.861 -0.556 -5.200
27 H ARG 6 H ARG 6 -15.545 1.766 -2.122
28 HA ARG 6 HA ARG 6 -12.860 2.756 -2.194
29 HB2 ARG 6 HB2 ARG 6 -15.463 3.481 -0.939
30 HB3 ARG 6 HB3 ARG 6 -14.024 4.231 -0.252
31 HG2 ARG 6 HG2 ARG 6 -13.695 4.394 -3.050
32 HG3 ARG 6 HG3 ARG 6 -15.373 4.836 -2.742
33 HD2 ARG 6 HD2 ARG 6 -14.035 6.863 -2.596
34 HD3 ARG 6 HD3 ARG 6 -14.517 6.428 -0.945
35 HE ARG 6 HE ARG 6 -11.931 5.343 -1.925
36 HH11 ARG 6 HH21 ARG 6 -13.185 5.778 0.945
37 HH12 ARG 6 HH22 ARG 6 -12.085 6.969 1.553
38 HH21 ARG 6 HH11 ARG 6 -10.719 7.675 -1.566
39 HH22 ARG 6 HH12 ARG 6 -10.683 8.046 0.125
40 H VAL 7 H VAL 7 -14.681 1.019 0.265
41 HA VAL 7 HA VAL 7 -12.781 1.236 2.417
42 HB VAL 7 HB VAL 7 -14.858 -0.860 1.674
43 HG11 VAL 7 HG11 VAL 7 -14.731 -1.595 4.007
44 HG12 VAL 7 HG12 VAL 7 -13.472 -0.405 4.336
45 HG13 VAL 7 HG13 VAL 7 -13.148 -1.754 3.247
46 HG21 VAL 7 HG21 VAL 7 -15.188 1.780 2.449
47 HG22 VAL 7 HG22 VAL 7 -15.324 0.907 3.975
48 HG23 VAL 7 HG23 VAL 7 -16.395 0.507 2.632
49 H THR 8 H THR 8 -13.203 -1.086 -0.262
50 HA THR 8 HA THR 8 -11.038 -2.841 0.523
51 HB THR 8 HB THR 8 -12.266 -2.360 -2.208
52 HG1 THR 8 HG1 THR 8 -14.005 -3.176 -1.399
53 HG21 THR 8 HG21 THR 8 -11.725 -4.775 -2.516
54 HG22 THR 8 HG22 THR 8 -10.915 -4.765 -0.951
55 HG23 THR 8 HG23 THR 8 -10.287 -3.783 -2.275
56 H ALA 9 H ALA 9 -11.303 -0.011 -1.566
57 HA ALA 9 HA ALA 9 -8.696 -0.154 -2.759
58 HB1 ALA 9 HB1 ALA 9 -10.793 1.943 -2.305
59 HB2 ALA 9 HB2 ALA 9 -10.233 1.252 -3.827
60 HB3 ALA 9 HB3 ALA 9 -9.230 2.418 -2.965
61 H ILE 10 H ILE 10 -9.869 1.429 0.182
62 HA ILE 10 HA ILE 10 -7.522 2.877 0.896
63 HB ILE 10 HB ILE 10 -9.692 1.498 2.516
64 HG12 ILE 10 HG12 ILE 10 -9.298 4.461 2.116
65 HG13 ILE 10 HG13 ILE 10 -10.114 3.497 0.885
66 HG21 ILE 10 HG21 ILE 10 -8.969 2.762 4.447
67 HG22 ILE 10 HG22 ILE 10 -7.731 3.590 3.503
68 HG23 ILE 10 HG23 ILE 10 -7.574 1.867 3.844
69 HD11 ILE 10 HD11 ILE 10 -11.887 4.220 2.256
70 HD12 ILE 10 HD12 ILE 10 -10.951 4.006 3.735
71 HD13 ILE 10 HD13 ILE 10 -11.549 2.597 2.859
72 H LEU 11 H LEU 11 -8.455 -0.504 1.544
73 HA LEU 11 HA LEU 11 -6.144 -1.202 3.107
74 HB2 LEU 11 HB2 LEU 11 -8.508 -2.422 1.972
75 HB3 LEU 11 HB3 LEU 11 -7.115 -3.472 1.720
76 HG LEU 11 HG LEU 11 -8.316 -3.882 3.893
77 HD11 LEU 11 HD11 LEU 11 -6.247 -3.918 5.265
78 HD12 LEU 11 HD12 LEU 11 -5.458 -2.880 4.076
79 HD13 LEU 11 HD13 LEU 11 -5.960 -4.511 3.629
80 HD21 LEU 11 HD21 LEU 11 -7.065 -1.376 4.961
81 HD22 LEU 11 HD22 LEU 11 -8.468 -2.266 5.553
82 HD23 LEU 11 HD23 LEU 11 -8.610 -1.248 4.119
83 H SER 12 H SER 12 -6.850 -1.323 -0.350
84 HA SER 12 HA SER 12 -4.506 -2.747 -1.196
85 HB2 SER 12 HB2 SER 12 -6.257 -0.690 -2.582
86 HB3 SER 12 HB3 SER 12 -5.109 -1.743 -3.405
87 HG SER 12 HG SER 12 -7.564 -2.320 -2.219
88 H SER 13 H SER 13 -5.154 0.790 -1.000
89 HA SER 13 HA SER 13 -2.574 1.617 -1.960
90 HB2 SER 13 HB2 SER 13 -3.276 3.769 -0.740
91 HB3 SER 13 HB3 SER 13 -4.383 3.167 -1.968
92 HG SER 13 HG SER 13 -4.621 3.227 0.810
93 H LEU 14 H LEU 14 -3.756 0.806 1.294
94 HA LEU 14 HA LEU 14 -1.535 1.801 2.808
95 HB2 LEU 14 HB2 LEU 14 -3.860 0.037 3.126
96 HB3 LEU 14 HB3 LEU 14 -2.492 -0.481 4.107
97 HG LEU 14 HG LEU 14 -4.008 1.136 5.281
98 HD11 LEU 14 HD11 LEU 14 -2.221 2.485 6.197
99 HD12 LEU 14 HD12 LEU 14 -1.245 2.259 4.746
100 HD13 LEU 14 HD13 LEU 14 -1.564 0.893 5.815
101 HD21 LEU 14 HD21 LEU 14 -2.886 3.393 3.702
102 HD22 LEU 14 HD22 LEU 14 -4.468 3.228 4.463
103 HD23 LEU 14 HD23 LEU 14 -4.149 2.447 2.915
104 H THR 15 H THR 15 -2.146 -1.450 1.409
105 HA THR 15 HA THR 15 0.365 -2.579 2.284
106 HB THR 15 HB THR 15 -2.009 -3.483 1.225
107 HG1 THR 15 HG1 THR 15 -0.573 -4.668 2.502
108 HG21 THR 15 HG21 THR 15 0.121 -3.876 -0.900
109 HG22 THR 15 HG22 THR 15 -1.340 -2.906 -1.077
110 HG23 THR 15 HG23 THR 15 -1.461 -4.654 -0.879
111 H VAL 16 H VAL 16 -0.649 -0.918 -0.705
112 HA VAL 16 HA VAL 16 1.682 -1.438 -2.279
113 HB VAL 16 HB VAL 16 -0.372 0.788 -2.167
114 HG11 VAL 16 HG11 VAL 16 0.497 1.357 -4.495
115 HG12 VAL 16 HG12 VAL 16 1.924 0.398 -4.106
116 HG13 VAL 16 HG13 VAL 16 1.545 1.837 -3.160
117 HG21 VAL 16 HG21 VAL 16 -1.502 -0.422 -3.775
118 HG22 VAL 16 HG22 VAL 16 -0.682 -1.757 -2.968
119 HG23 VAL 16 HG23 VAL 16 -0.022 -1.091 -4.462
120 H THR 17 H THR 17 0.925 1.301 -0.079
121 HA THR 17 HA THR 17 3.382 2.728 -0.469
122 HB THR 17 HB THR 17 1.352 2.566 1.779
123 HG1 THR 17 HG1 THR 17 0.380 3.736 0.338
124 HG21 THR 17 HG21 THR 17 3.289 3.357 2.894
125 HG22 THR 17 HG22 THR 17 2.417 4.820 2.438
126 HG23 THR 17 HG23 THR 17 3.812 4.295 1.495
127 H GLN 18 H GLN 18 2.468 0.203 1.902
128 HA GLN 18 HA GLN 18 4.893 0.263 3.425
129 HB2 GLN 18 HB2 GLN 18 2.491 -1.346 3.136
130 HB3 GLN 18 HB3 GLN 18 3.900 -2.372 3.403
131 HG2 GLN 18 HG2 GLN 18 4.505 -1.030 5.388
132 HG3 GLN 18 HG3 GLN 18 3.090 -0.009 5.126
133 HE21 GLN 18 HE21 GLN 18 2.772 -1.001 7.501
134 HE22 GLN 18 HE22 GLN 18 1.844 -2.420 7.565
135 H LEU 19 H LEU 19 3.984 -1.529 0.524
136 HA LEU 19 HA LEU 19 6.333 -3.168 0.312
137 HB2 LEU 19 HB2 LEU 19 4.053 -3.236 -0.927
138 HB3 LEU 19 HB3 LEU 19 4.748 -2.017 -1.996
139 HG LEU 19 HG LEU 19 6.736 -3.633 -2.264
140 HD11 LEU 19 HD11 LEU 19 6.279 -5.130 -0.418
141 HD12 LEU 19 HD12 LEU 19 6.072 -6.041 -1.915
142 HD13 LEU 19 HD13 LEU 19 4.660 -5.465 -1.030
143 HD21 LEU 19 HD21 LEU 19 5.161 -3.268 -4.074
144 HD22 LEU 19 HD22 LEU 19 3.969 -4.319 -3.306
145 HD23 LEU 19 HD23 LEU 19 5.461 -5.001 -3.952
146 H LEU 20 H LEU 20 5.545 0.102 -0.844
147 HA LEU 20 HA LEU 20 7.958 0.566 -2.340
148 HB2 LEU 20 HB2 LEU 20 5.613 2.032 -1.328
149 HB3 LEU 20 HB3 LEU 20 7.063 3.027 -1.424
150 HG LEU 20 HG LEU 20 5.793 3.118 -3.535
151 HD11 LEU 20 HD11 LEU 20 8.357 3.135 -3.442
152 HD12 LEU 20 HD12 LEU 20 7.630 2.757 -5.003
153 HD13 LEU 20 HD13 LEU 20 8.282 1.464 -3.999
154 HD21 LEU 20 HD21 LEU 20 6.314 0.127 -3.625
155 HD22 LEU 20 HD22 LEU 20 5.598 1.078 -4.925
156 HD23 LEU 20 HD23 LEU 20 4.742 0.890 -3.394
157 H ARG 21 H ARG 21 7.062 1.161 1.081
158 HA ARG 21 HA ARG 21 9.401 2.615 1.853
159 HB2 ARG 21 HB2 ARG 21 7.117 1.982 3.046
160 HB3 ARG 21 HB3 ARG 21 8.061 0.628 3.667
161 HG2 ARG 21 HG2 ARG 21 9.825 2.535 4.211
162 HG3 ARG 21 HG3 ARG 21 8.391 3.562 4.179
163 HD2 ARG 21 HD2 ARG 21 7.508 1.425 5.684
164 HD3 ARG 21 HD3 ARG 21 9.206 1.561 6.186
165 HE ARG 21 HE ARG 21 7.194 3.766 6.357
166 HH11 ARG 21 HH21 ARG 21 8.462 2.489 8.789
167 HH12 ARG 21 HH22 ARG 21 9.694 3.639 9.186
168 HH21 ARG 21 HH11 ARG 21 9.570 5.232 6.100
169 HH22 ARG 21 HH12 ARG 21 10.324 5.198 7.657
170 H ARG 22 H ARG 22 8.731 -0.900 1.862
171 HA ARG 22 HA ARG 22 11.279 -1.719 2.927
172 HB2 ARG 22 HB2 ARG 22 8.884 -2.887 1.647
173 HB3 ARG 22 HB3 ARG 22 10.362 -3.811 1.386
174 HG2 ARG 22 HG2 ARG 22 9.619 -4.707 3.406
175 HG3 ARG 22 HG3 ARG 22 10.713 -3.444 3.968
176 HD2 ARG 22 HD2 ARG 22 8.912 -2.777 5.222
177 HD3 ARG 22 HD3 ARG 22 8.354 -2.045 3.705
178 HE ARG 22 HE ARG 22 6.889 -3.925 3.364
179 HH11 ARG 22 HH21 ARG 22 6.324 -3.534 6.262
180 HH12 ARG 22 HH22 ARG 22 6.551 -5.125 6.907
181 HH21 ARG 22 HH11 ARG 22 8.303 -6.280 4.135
182 HH22 ARG 22 HH12 ARG 22 7.677 -6.688 5.698
183 H LEU 23 H LEU 23 10.064 -1.357 -0.421
184 HA LEU 23 HA LEU 23 12.479 -2.282 -1.711
185 HB2 LEU 23 HB2 LEU 23 10.010 -1.956 -2.542
186 HB3 LEU 23 HB3 LEU 23 10.536 -0.311 -2.902
187 HG LEU 23 HG LEU 23 12.563 -1.504 -4.072
188 HD11 LEU 23 HD11 LEU 23 10.466 -3.684 -3.907
189 HD12 LEU 23 HD12 LEU 23 12.147 -3.767 -3.382
190 HD13 LEU 23 HD13 LEU 23 11.764 -3.687 -5.101
191 HD21 LEU 23 HD21 LEU 23 9.739 -1.440 -5.178
192 HD22 LEU 23 HD22 LEU 23 11.173 -1.700 -6.171
193 HD23 LEU 23 HD23 LEU 23 10.961 -0.175 -5.310
194 H HIS 24 H HIS 24 11.345 0.932 -0.659
195 HA HIS 24 HA HIS 24 13.248 2.573 -1.972
196 HB2 HIS 24 HB2 HIS 24 11.332 2.726 0.187
197 HB3 HIS 24 HB3 HIS 24 12.796 3.597 0.638
198 HD1 HIS 24 HD1 HIS 24 9.717 4.188 -1.010
199 HD2 HIS 24 HD2 HIS 24 13.653 5.301 -1.817
200 HE1 HIS 24 HE1 HIS 24 9.592 6.168 -2.582
201 H GLN 25 H GLN 25 13.543 0.767 1.107
202 HA GLN 25 HA GLN 25 16.113 1.773 1.887
203 HB2 GLN 25 HB2 GLN 25 14.455 -0.685 2.384
204 HB3 GLN 25 HB3 GLN 25 16.120 -0.657 2.964
205 HG2 GLN 25 HG2 GLN 25 15.182 1.824 3.736
206 HG3 GLN 25 HG3 GLN 25 13.770 0.792 3.967
207 HE21 GLN 25 HE21 GLN 25 17.306 0.842 4.710
208 HE22 GLN 25 HE22 GLN 25 17.151 0.019 6.186
209 H TRP 26 H TRP 26 15.158 -1.015 -0.125
210 HA TRP 26 HA TRP 26 17.856 -1.919 -0.687
211 HB2 TRP 26 HB2 TRP 26 15.895 -3.370 -0.834
212 HB3 TRP 26 HB3 TRP 26 15.164 -2.314 -2.043
213 HD1 TRP 26 HD1 TRP 26 18.146 -4.700 -1.582
214 HE1 TRP 26 HE1 TRP 26 18.880 -5.538 -3.907
215 HE3 TRP 26 HE3 TRP 26 15.095 -1.873 -4.543
216 HZ2 TRP 26 HZ2 TRP 26 18.254 -5.071 -6.660
217 HZ3 TRP 26 HZ3 TRP 26 15.183 -2.089 -7.010
218 HH2 TRP 26 HH2 TRP 26 16.758 -3.681 -8.071
219 H ILE 27 H ILE 27 15.630 0.388 -2.199
220 HA ILE 27 HA ILE 27 17.146 0.722 -4.662
221 HB ILE 27 HB ILE 27 14.976 2.269 -3.217
222 HG12 ILE 27 HG12 ILE 27 14.478 0.005 -4.244
223 HG13 ILE 27 HG13 ILE 27 13.511 1.330 -4.885
224 HG21 ILE 27 HG21 ILE 27 15.950 3.989 -4.469
225 HG22 ILE 27 HG22 ILE 27 14.743 3.355 -5.587
226 HG23 ILE 27 HG23 ILE 27 16.438 2.902 -5.770
227 HD11 ILE 27 HD11 ILE 27 16.013 0.200 -6.174
228 HD12 ILE 27 HD12 ILE 27 15.025 1.511 -6.819
229 HD13 ILE 27 HD13 ILE 27 14.360 -0.117 -6.698
230 H SER 28 H SER 28 16.720 2.797 -1.757
231 HA SER 28 HA SER 28 18.062 4.519 -0.875
232 HB2 SER 28 HB2 SER 28 19.947 2.469 -2.018
233 HB3 SER 28 HB3 SER 28 20.595 3.935 -1.289
234 HG SER 28 HG SER 28 18.964 1.934 -0.117
Start of MODEL 25
1 H1 SER 1 H1 SER 1 -21.625 -5.042 -1.027
2 H2 SER 1 H2 SER 1 -23.260 -4.762 -1.399
3 H3 SER 1 H3 SER 1 -22.828 -5.395 0.118
4 HA SER 1 HA SER 1 -23.412 -2.949 0.099
5 HB2 SER 1 HB2 SER 1 -20.637 -3.781 1.002
6 HB3 SER 1 HB3 SER 1 -21.658 -2.549 1.737
7 HG SER 1 HG SER 1 -21.795 -4.536 2.856
8 H ASP 2 H ASP 2 -22.534 -0.812 -0.372
9 HA ASP 2 HA ASP 2 -20.830 -0.767 -2.821
10 HB2 ASP 2 HB2 ASP 2 -23.017 0.317 -2.918
11 HB3 ASP 2 HB3 ASP 2 -22.647 1.262 -1.475
12 H ALA 3 H ALA 3 -21.183 1.143 0.208
13 HA ALA 3 HA ALA 3 -18.733 2.567 0.046
14 HB1 ALA 3 HB1 ALA 3 -19.086 2.764 2.541
15 HB2 ALA 3 HB2 ALA 3 -20.386 1.583 2.392
16 HB3 ALA 3 HB3 ALA 3 -20.517 3.145 1.584
17 H ALA 4 H ALA 4 -19.405 -0.701 1.267
18 HA ALA 4 HA ALA 4 -16.995 -1.235 2.666
19 HB1 ALA 4 HB1 ALA 4 -18.687 -3.064 0.930
20 HB2 ALA 4 HB2 ALA 4 -19.034 -2.649 2.609
21 HB3 ALA 4 HB3 ALA 4 -17.594 -3.586 2.211
22 H ALA 5 H ALA 5 -17.718 -1.507 -0.828
23 HA ALA 5 HA ALA 5 -15.245 -2.713 -1.630
24 HB1 ALA 5 HB1 ALA 5 -15.913 -1.720 -3.861
25 HB2 ALA 5 HB2 ALA 5 -17.209 -0.865 -3.026
26 HB3 ALA 5 HB3 ALA 5 -17.203 -2.629 -3.070
27 H ARG 6 H ARG 6 -16.202 0.722 -1.293
28 HA ARG 6 HA ARG 6 -13.767 1.855 -2.286
29 HB2 ARG 6 HB2 ARG 6 -16.174 2.671 -0.830
30 HB3 ARG 6 HB3 ARG 6 -14.751 3.580 -0.323
31 HG2 ARG 6 HG2 ARG 6 -14.305 3.799 -2.901
32 HG3 ARG 6 HG3 ARG 6 -16.023 3.423 -3.042
33 HD2 ARG 6 HD2 ARG 6 -16.479 5.303 -1.396
34 HD3 ARG 6 HD3 ARG 6 -14.770 5.757 -1.558
35 HE ARG 6 HE ARG 6 -16.697 5.680 -3.854
36 HH11 ARG 6 HH21 ARG 6 -13.939 5.548 -4.803
37 HH12 ARG 6 HH22 ARG 6 -13.470 7.210 -4.931
38 HH21 ARG 6 HH11 ARG 6 -16.060 8.366 -2.921
39 HH22 ARG 6 HH12 ARG 6 -14.676 8.813 -3.860
40 H VAL 7 H VAL 7 -14.714 0.664 0.885
41 HA VAL 7 HA VAL 7 -12.435 1.579 2.382
42 HB VAL 7 HB VAL 7 -14.201 -0.882 2.699
43 HG11 VAL 7 HG11 VAL 7 -12.369 0.559 4.638
44 HG12 VAL 7 HG12 VAL 7 -12.218 -1.105 4.074
45 HG13 VAL 7 HG13 VAL 7 -13.560 -0.648 5.122
46 HG21 VAL 7 HG21 VAL 7 -14.604 1.477 4.431
47 HG22 VAL 7 HG22 VAL 7 -15.796 0.460 3.620
48 HG23 VAL 7 HG23 VAL 7 -14.988 1.752 2.732
49 H THR 8 H THR 8 -13.077 -1.364 0.459
50 HA THR 8 HA THR 8 -10.619 -2.729 1.051
51 HB THR 8 HB THR 8 -12.326 -2.820 -1.456
52 HG1 THR 8 HG1 THR 8 -13.765 -3.831 -0.311
53 HG21 THR 8 HG21 THR 8 -11.567 -5.192 -1.508
54 HG22 THR 8 HG22 THR 8 -10.520 -4.862 -0.129
55 HG23 THR 8 HG23 THR 8 -10.231 -4.053 -1.670
56 H ALA 9 H ALA 9 -11.533 -0.371 -1.420
57 HA ALA 9 HA ALA 9 -9.100 -0.480 -2.953
58 HB1 ALA 9 HB1 ALA 9 -9.959 1.800 -3.718
59 HB2 ALA 9 HB2 ALA 9 -11.256 1.605 -2.538
60 HB3 ALA 9 HB3 ALA 9 -11.108 0.472 -3.883
61 H ILE 10 H ILE 10 -10.117 1.492 -0.202
62 HA ILE 10 HA ILE 10 -7.883 3.273 -0.089
63 HB ILE 10 HB ILE 10 -9.743 2.089 1.997
64 HG12 ILE 10 HG12 ILE 10 -10.689 3.594 0.219
65 HG13 ILE 10 HG13 ILE 10 -10.869 4.237 1.850
66 HG21 ILE 10 HG21 ILE 10 -7.840 2.737 3.269
67 HG22 ILE 10 HG22 ILE 10 -8.953 4.099 3.388
68 HG23 ILE 10 HG23 ILE 10 -7.576 4.179 2.288
69 HD11 ILE 10 HD11 ILE 10 -8.925 5.687 1.531
70 HD12 ILE 10 HD12 ILE 10 -10.087 5.963 0.234
71 HD13 ILE 10 HD13 ILE 10 -8.644 4.997 -0.068
72 H LEU 11 H LEU 11 -8.407 0.022 1.278
73 HA LEU 11 HA LEU 11 -5.919 -0.195 2.689
74 HB2 LEU 11 HB2 LEU 11 -8.155 -1.899 1.811
75 HB3 LEU 11 HB3 LEU 11 -6.622 -2.758 1.952
76 HG LEU 11 HG LEU 11 -6.477 -1.424 4.247
77 HD11 LEU 11 HD11 LEU 11 -8.568 -0.160 3.835
78 HD12 LEU 11 HD12 LEU 11 -8.700 -1.174 5.272
79 HD13 LEU 11 HD13 LEU 11 -9.463 -1.678 3.764
80 HD21 LEU 11 HD21 LEU 11 -8.161 -3.891 3.719
81 HD22 LEU 11 HD22 LEU 11 -7.650 -3.382 5.328
82 HD23 LEU 11 HD23 LEU 11 -6.445 -3.843 4.125
83 H SER 12 H SER 12 -6.885 -1.006 -0.619
84 HA SER 12 HA SER 12 -4.489 -2.302 -1.477
85 HB2 SER 12 HB2 SER 12 -6.554 -0.603 -2.906
86 HB3 SER 12 HB3 SER 12 -5.312 -1.525 -3.748
87 HG SER 12 HG SER 12 -6.861 -2.992 -3.622
88 H SER 13 H SER 13 -5.383 1.143 -1.315
89 HA SER 13 HA SER 13 -3.107 2.236 -2.674
90 HB2 SER 13 HB2 SER 13 -4.778 3.332 -0.381
91 HB3 SER 13 HB3 SER 13 -3.763 4.292 -1.453
92 HG SER 13 HG SER 13 -6.268 3.304 -1.837
93 H LEU 14 H LEU 14 -3.691 1.415 0.751
94 HA LEU 14 HA LEU 14 -1.198 2.367 1.810
95 HB2 LEU 14 HB2 LEU 14 -3.400 0.504 2.586
96 HB3 LEU 14 HB3 LEU 14 -1.884 0.356 3.477
97 HG LEU 14 HG LEU 14 -2.241 3.090 3.395
98 HD11 LEU 14 HD11 LEU 14 -4.443 3.132 2.556
99 HD12 LEU 14 HD12 LEU 14 -4.673 3.236 4.300
100 HD13 LEU 14 HD13 LEU 14 -4.916 1.700 3.470
101 HD21 LEU 14 HD21 LEU 14 -1.550 1.934 5.381
102 HD22 LEU 14 HD22 LEU 14 -3.056 1.019 5.450
103 HD23 LEU 14 HD23 LEU 14 -3.060 2.749 5.787
104 H THR 15 H THR 15 -2.173 -0.773 0.414
105 HA THR 15 HA THR 15 0.195 -2.261 0.991
106 HB THR 15 HB THR 15 -1.602 -2.406 -1.458
107 HG1 THR 15 HG1 THR 15 -3.084 -3.186 -0.194
108 HG21 THR 15 HG21 THR 15 -0.993 -4.743 -1.515
109 HG22 THR 15 HG22 THR 15 -0.109 -4.598 0.004
110 HG23 THR 15 HG23 THR 15 0.495 -3.800 -1.448
111 H VAL 16 H VAL 16 -0.637 -0.147 -1.775
112 HA VAL 16 HA VAL 16 1.729 -0.557 -3.326
113 HB VAL 16 HB VAL 16 -0.192 1.771 -2.980
114 HG11 VAL 16 HG11 VAL 16 2.117 1.398 -4.894
115 HG12 VAL 16 HG12 VAL 16 1.742 2.801 -3.893
116 HG13 VAL 16 HG13 VAL 16 0.741 2.426 -5.295
117 HG21 VAL 16 HG21 VAL 16 0.110 -0.426 -5.054
118 HG22 VAL 16 HG22 VAL 16 -1.010 0.929 -5.203
119 HG23 VAL 16 HG23 VAL 16 -1.209 -0.241 -3.898
120 H THR 17 H THR 17 0.993 1.778 -0.716
121 HA THR 17 HA THR 17 3.478 3.217 -0.796
122 HB THR 17 HB THR 17 1.716 2.653 1.611
123 HG1 THR 17 HG1 THR 17 1.384 4.510 -0.509
124 HG21 THR 17 HG21 THR 17 2.396 4.942 2.255
125 HG22 THR 17 HG22 THR 17 3.400 5.044 0.809
126 HG23 THR 17 HG23 THR 17 3.792 3.880 2.076
127 H GLN 18 H GLN 18 2.453 0.285 0.967
128 HA GLN 18 HA GLN 18 4.762 -0.027 2.613
129 HB2 GLN 18 HB2 GLN 18 2.508 -1.664 1.594
130 HB3 GLN 18 HB3 GLN 18 3.908 -2.570 2.165
131 HG2 GLN 18 HG2 GLN 18 3.647 -1.874 4.345
132 HG3 GLN 18 HG3 GLN 18 2.952 -0.323 3.878
133 HE21 GLN 18 HE21 GLN 18 0.738 -0.168 4.276
134 HE22 GLN 18 HE22 GLN 18 -0.332 -1.484 4.347
135 H LEU 19 H LEU 19 4.075 -1.163 -0.663
136 HA LEU 19 HA LEU 19 6.410 -2.738 -1.103
137 HB2 LEU 19 HB2 LEU 19 4.327 -1.349 -2.672
138 HB3 LEU 19 HB3 LEU 19 5.850 -1.553 -3.535
139 HG LEU 19 HG LEU 19 5.642 -4.020 -2.480
140 HD11 LEU 19 HD11 LEU 19 3.269 -4.738 -2.625
141 HD12 LEU 19 HD12 LEU 19 2.790 -3.059 -2.869
142 HD13 LEU 19 HD13 LEU 19 3.519 -3.556 -1.341
143 HD21 LEU 19 HD21 LEU 19 4.615 -4.699 -4.653
144 HD22 LEU 19 HD22 LEU 19 5.922 -3.534 -4.860
145 HD23 LEU 19 HD23 LEU 19 4.243 -3.006 -4.976
146 H LEU 20 H LEU 20 5.841 0.765 -1.430
147 HA LEU 20 HA LEU 20 8.418 1.456 -2.516
148 HB2 LEU 20 HB2 LEU 20 6.017 2.708 -1.958
149 HB3 LEU 20 HB3 LEU 20 7.086 3.407 -0.744
150 HG LEU 20 HG LEU 20 7.141 4.775 -2.769
151 HD11 LEU 20 HD11 LEU 20 9.476 4.960 -2.979
152 HD12 LEU 20 HD12 LEU 20 9.724 3.224 -2.799
153 HD13 LEU 20 HD13 LEU 20 9.276 4.200 -1.400
154 HD21 LEU 20 HD21 LEU 20 6.518 2.814 -4.280
155 HD22 LEU 20 HD22 LEU 20 8.220 2.352 -4.228
156 HD23 LEU 20 HD23 LEU 20 7.749 3.907 -4.915
157 H ARG 21 H ARG 21 7.166 1.211 0.831
158 HA ARG 21 HA ARG 21 9.461 2.230 2.197
159 HB2 ARG 21 HB2 ARG 21 7.044 1.554 2.970
160 HB3 ARG 21 HB3 ARG 21 7.759 -0.039 3.224
161 HG2 ARG 21 HG2 ARG 21 9.226 0.739 4.881
162 HG3 ARG 21 HG3 ARG 21 9.104 2.413 4.340
163 HD2 ARG 21 HD2 ARG 21 6.669 2.376 5.069
164 HD3 ARG 21 HD3 ARG 21 7.002 0.805 5.827
165 HE ARG 21 HE ARG 21 8.470 3.323 6.540
166 HH11 ARG 21 HH21 ARG 21 9.772 0.768 7.374
167 HH12 ARG 21 HH22 ARG 21 9.135 0.527 8.966
168 HH21 ARG 21 HH11 ARG 21 6.519 2.778 8.542
169 HH22 ARG 21 HH12 ARG 21 7.285 1.670 9.630
170 H ARG 22 H ARG 22 8.625 -1.104 1.187
171 HA ARG 22 HA ARG 22 10.926 -2.428 2.260
172 HB2 ARG 22 HB2 ARG 22 8.665 -2.958 0.550
173 HB3 ARG 22 HB3 ARG 22 10.110 -3.648 -0.187
174 HG2 ARG 22 HG2 ARG 22 9.692 -5.397 1.210
175 HG3 ARG 22 HG3 ARG 22 10.480 -4.378 2.414
176 HD2 ARG 22 HD2 ARG 22 8.138 -3.386 2.865
177 HD3 ARG 22 HD3 ARG 22 7.515 -4.783 1.964
178 HE ARG 22 HE ARG 22 9.192 -4.989 4.438
179 HH11 ARG 22 HH11 ARG 22 9.235 -7.367 2.577
180 HH12 ARG 22 HH12 ARG 22 7.965 -8.349 3.228
181 HH21 ARG 22 HH21 ARG 22 6.573 -5.770 5.097
182 HH22 ARG 22 HH22 ARG 22 6.453 -7.441 4.660
183 H LEU 23 H LEU 23 10.359 -0.822 -0.876
184 HA LEU 23 HA LEU 23 12.794 -1.514 -2.188
185 HB2 LEU 23 HB2 LEU 23 10.726 -0.410 -3.131
186 HB3 LEU 23 HB3 LEU 23 11.223 1.083 -2.337
187 HG LEU 23 HG LEU 23 13.405 -0.092 -3.875
188 HD11 LEU 23 HD11 LEU 23 10.924 0.765 -5.398
189 HD12 LEU 23 HD12 LEU 23 11.484 -0.900 -5.252
190 HD13 LEU 23 HD13 LEU 23 12.471 0.290 -6.098
191 HD21 LEU 23 HD21 LEU 23 11.929 2.554 -4.084
192 HD22 LEU 23 HD22 LEU 23 13.522 2.197 -4.752
193 HD23 LEU 23 HD23 LEU 23 13.288 2.237 -3.004
194 H HIS 24 H HIS 24 12.010 1.232 -0.029
195 HA HIS 24 HA HIS 24 14.581 2.520 -0.169
196 HB2 HIS 24 HB2 HIS 24 12.160 3.165 0.790
197 HB3 HIS 24 HB3 HIS 24 12.893 2.621 2.299
198 HD1 HIS 24 HD1 HIS 24 15.509 3.710 2.572
199 HD2 HIS 24 HD2 HIS 24 12.682 5.830 0.357
200 HE1 HIS 24 HE1 HIS 24 16.329 6.103 2.465
201 H GLN 25 H GLN 25 13.239 0.035 2.016
202 HA GLN 25 HA GLN 25 15.401 -0.074 3.890
203 HB2 GLN 25 HB2 GLN 25 13.100 -1.731 3.022
204 HB3 GLN 25 HB3 GLN 25 14.401 -2.619 3.815
205 HG2 GLN 25 HG2 GLN 25 13.419 -0.056 5.034
206 HG3 GLN 25 HG3 GLN 25 12.487 -1.535 5.265
207 HE21 GLN 25 HE21 GLN 25 13.638 -3.391 6.332
208 HE22 GLN 25 HE22 GLN 25 14.962 -3.078 7.346
209 H TRP 26 H TRP 26 14.916 -1.646 0.738
210 HA TRP 26 HA TRP 26 17.206 -3.413 0.890
211 HB2 TRP 26 HB2 TRP 26 15.092 -3.406 -0.636
212 HB3 TRP 26 HB3 TRP 26 15.993 -2.260 -1.628
213 HD1 TRP 26 HD1 TRP 26 18.509 -3.149 -2.426
214 HE1 TRP 26 HE1 TRP 26 19.203 -5.515 -3.176
215 HE3 TRP 26 HE3 TRP 26 14.671 -5.869 -0.435
216 HZ2 TRP 26 HZ2 TRP 26 18.256 -8.206 -2.963
217 HZ3 TRP 26 HZ3 TRP 26 14.592 -8.329 -0.724
218 HH2 TRP 26 HH2 TRP 26 16.378 -9.500 -1.985
219 H ILE 27 H ILE 27 16.714 -0.082 -0.247
220 HA ILE 27 HA ILE 27 19.391 0.170 -1.406
221 HB ILE 27 HB ILE 27 17.182 2.126 -0.681
222 HG12 ILE 27 HG12 ILE 27 18.058 1.370 -3.457
223 HG13 ILE 27 HG13 ILE 27 16.990 0.289 -2.562
224 HG21 ILE 27 HG21 ILE 27 19.194 3.416 -0.713
225 HG22 ILE 27 HG22 ILE 27 18.463 3.638 -2.302
226 HG23 ILE 27 HG23 ILE 27 19.823 2.533 -2.104
227 HD11 ILE 27 HD11 ILE 27 15.404 1.630 -3.567
228 HD12 ILE 27 HD12 ILE 27 16.464 3.039 -3.604
229 HD13 ILE 27 HD13 ILE 27 15.678 2.565 -2.097
230 H SER 28 H SER 28 17.771 1.469 1.523
231 HA SER 28 HA SER 28 18.638 2.289 3.545
232 HB2 SER 28 HB2 SER 28 20.126 0.795 4.511
233 HB3 SER 28 HB3 SER 28 19.577 -0.165 3.144
234 HG SER 28 HG SER 28 21.443 0.690 2.005
Start of MODEL 26
1 H1 SER 1 H1 SER 1 -21.814 5.825 -2.239
2 H2 SER 1 H2 SER 1 -22.561 5.485 -0.751
3 H3 SER 1 H3 SER 1 -23.484 6.063 -2.056
4 HA SER 1 HA SER 1 -23.690 3.602 -1.618
5 HB2 SER 1 HB2 SER 1 -22.795 4.872 -4.212
6 HB3 SER 1 HB3 SER 1 -23.356 3.203 -4.151
7 HG SER 1 HG SER 1 -25.199 4.266 -4.447
8 H ASP 2 H ASP 2 -22.594 1.576 -2.675
9 HA ASP 2 HA ASP 2 -20.843 0.035 -2.194
10 HB2 ASP 2 HB2 ASP 2 -18.978 0.554 -3.843
11 HB3 ASP 2 HB3 ASP 2 -20.604 0.564 -4.516
12 H ALA 3 H ALA 3 -20.852 1.521 0.075
13 HA ALA 3 HA ALA 3 -18.410 2.961 0.643
14 HB1 ALA 3 HB1 ALA 3 -20.454 3.250 1.935
15 HB2 ALA 3 HB2 ALA 3 -19.207 2.615 3.007
16 HB3 ALA 3 HB3 ALA 3 -20.458 1.544 2.379
17 H ALA 4 H ALA 4 -19.348 -0.456 0.893
18 HA ALA 4 HA ALA 4 -17.135 -1.376 2.475
19 HB1 ALA 4 HB1 ALA 4 -17.809 -3.581 1.485
20 HB2 ALA 4 HB2 ALA 4 -18.867 -2.716 0.372
21 HB3 ALA 4 HB3 ALA 4 -19.180 -2.663 2.107
22 H ALA 5 H ALA 5 -17.607 -1.247 -1.084
23 HA ALA 5 HA ALA 5 -15.077 -2.364 -1.815
24 HB1 ALA 5 HB1 ALA 5 -17.234 -1.814 -3.180
25 HB2 ALA 5 HB2 ALA 5 -15.675 -1.629 -3.984
26 HB3 ALA 5 HB3 ALA 5 -16.520 -0.211 -3.364
27 H ARG 6 H ARG 6 -16.062 0.996 -1.112
28 HA ARG 6 HA ARG 6 -13.614 2.272 -1.857
29 HB2 ARG 6 HB2 ARG 6 -16.109 2.944 -0.740
30 HB3 ARG 6 HB3 ARG 6 -14.923 3.449 0.463
31 HG2 ARG 6 HG2 ARG 6 -13.823 4.247 -1.989
32 HG3 ARG 6 HG3 ARG 6 -15.538 4.637 -2.121
33 HD2 ARG 6 HD2 ARG 6 -15.375 5.779 0.131
34 HD3 ARG 6 HD3 ARG 6 -13.618 5.549 0.048
35 HE ARG 6 HE ARG 6 -13.997 6.702 -2.337
36 HH11 ARG 6 HH11 ARG 6 -16.714 7.656 -1.763
37 HH12 ARG 6 HH12 ARG 6 -16.449 9.206 -1.040
38 HH21 ARG 6 HH21 ARG 6 -13.100 8.591 -0.332
39 HH22 ARG 6 HH22 ARG 6 -14.393 9.739 -0.226
40 H VAL 7 H VAL 7 -14.641 0.670 1.104
41 HA VAL 7 HA VAL 7 -12.390 1.376 2.755
42 HB VAL 7 HB VAL 7 -14.245 -1.038 2.721
43 HG11 VAL 7 HG11 VAL 7 -12.344 -1.643 4.046
44 HG12 VAL 7 HG12 VAL 7 -13.590 -1.135 5.186
45 HG13 VAL 7 HG13 VAL 7 -12.264 -0.042 4.783
46 HG21 VAL 7 HG21 VAL 7 -14.823 1.633 3.206
47 HG22 VAL 7 HG22 VAL 7 -14.550 0.987 4.824
48 HG23 VAL 7 HG23 VAL 7 -15.772 0.261 3.780
49 H THR 8 H THR 8 -13.024 -1.305 0.485
50 HA THR 8 HA THR 8 -10.567 -2.734 0.959
51 HB THR 8 HB THR 8 -12.192 -2.625 -1.593
52 HG1 THR 8 HG1 THR 8 -12.699 -4.035 0.817
53 HG21 THR 8 HG21 THR 8 -11.528 -4.990 -1.763
54 HG22 THR 8 HG22 THR 8 -10.644 -4.855 -0.243
55 HG23 THR 8 HG23 THR 8 -10.111 -3.947 -1.658
56 H ALA 9 H ALA 9 -11.492 -0.126 -1.234
57 HA ALA 9 HA ALA 9 -9.116 -0.089 -2.841
58 HB1 ALA 9 HB1 ALA 9 -10.020 1.934 -3.672
59 HB2 ALA 9 HB2 ALA 9 -10.750 2.338 -2.119
60 HB3 ALA 9 HB3 ALA 9 -11.444 1.056 -3.112
61 H ILE 10 H ILE 10 -9.959 1.514 0.190
62 HA ILE 10 HA ILE 10 -7.659 3.201 0.452
63 HB ILE 10 HB ILE 10 -9.465 1.790 2.451
64 HG12 ILE 10 HG12 ILE 10 -9.380 4.732 1.780
65 HG13 ILE 10 HG13 ILE 10 -10.310 3.606 0.792
66 HG21 ILE 10 HG21 ILE 10 -8.576 3.719 3.969
67 HG22 ILE 10 HG22 ILE 10 -7.206 3.743 2.857
68 HG23 ILE 10 HG23 ILE 10 -7.580 2.278 3.766
69 HD11 ILE 10 HD11 ILE 10 -11.331 2.804 3.037
70 HD12 ILE 10 HD12 ILE 10 -11.875 4.352 2.390
71 HD13 ILE 10 HD13 ILE 10 -10.692 4.310 3.698
72 H LEU 11 H LEU 11 -8.266 -0.181 1.386
73 HA LEU 11 HA LEU 11 -5.720 -0.672 2.636
74 HB2 LEU 11 HB2 LEU 11 -8.131 -1.971 2.322
75 HB3 LEU 11 HB3 LEU 11 -7.067 -2.918 1.283
76 HG LEU 11 HG LEU 11 -7.073 -3.836 3.562
77 HD11 LEU 11 HD11 LEU 11 -4.724 -4.020 3.840
78 HD12 LEU 11 HD12 LEU 11 -4.437 -2.408 3.183
79 HD13 LEU 11 HD13 LEU 11 -4.945 -3.719 2.117
80 HD21 LEU 11 HD21 LEU 11 -6.384 -2.550 5.469
81 HD22 LEU 11 HD22 LEU 11 -7.604 -1.590 4.633
82 HD23 LEU 11 HD23 LEU 11 -5.895 -1.192 4.455
83 H SER 12 H SER 12 -6.931 -1.106 -0.663
84 HA SER 12 HA SER 12 -4.679 -2.426 -1.810
85 HB2 SER 12 HB2 SER 12 -6.843 -0.579 -2.814
86 HB3 SER 12 HB3 SER 12 -5.601 -1.175 -3.911
87 HG SER 12 HG SER 12 -7.637 -2.544 -2.567
88 H SER 13 H SER 13 -5.385 1.056 -1.421
89 HA SER 13 HA SER 13 -3.058 2.076 -2.752
90 HB2 SER 13 HB2 SER 13 -4.857 3.093 -0.534
91 HB3 SER 13 HB3 SER 13 -3.593 4.084 -1.256
92 HG SER 13 HG SER 13 -6.043 3.348 -2.235
93 H LEU 14 H LEU 14 -3.666 1.156 0.643
94 HA LEU 14 HA LEU 14 -1.169 1.995 1.755
95 HB2 LEU 14 HB2 LEU 14 -3.302 -0.028 2.404
96 HB3 LEU 14 HB3 LEU 14 -1.825 0.004 3.367
97 HG LEU 14 HG LEU 14 -3.380 2.532 2.835
98 HD11 LEU 14 HD11 LEU 14 -3.759 0.725 5.235
99 HD12 LEU 14 HD12 LEU 14 -4.860 0.740 3.857
100 HD13 LEU 14 HD13 LEU 14 -4.658 2.190 4.841
101 HD21 LEU 14 HD21 LEU 14 -1.088 2.711 3.735
102 HD22 LEU 14 HD22 LEU 14 -1.519 1.624 5.056
103 HD23 LEU 14 HD23 LEU 14 -2.272 3.214 4.941
104 H THR 15 H THR 15 -2.174 -1.108 0.281
105 HA THR 15 HA THR 15 0.179 -2.627 0.727
106 HB THR 15 HB THR 15 -1.653 -2.582 -1.701
107 HG1 THR 15 HG1 THR 15 -3.094 -3.429 -0.443
108 HG21 THR 15 HG21 THR 15 0.219 -3.993 -2.161
109 HG22 THR 15 HG22 THR 15 -1.092 -5.066 -1.671
110 HG23 THR 15 HG23 THR 15 0.196 -4.670 -0.533
111 H VAL 16 H VAL 16 -0.609 -0.345 -1.909
112 HA VAL 16 HA VAL 16 1.801 -0.708 -3.435
113 HB VAL 16 HB VAL 16 -0.095 1.650 -3.117
114 HG11 VAL 16 HG11 VAL 16 1.838 2.536 -4.163
115 HG12 VAL 16 HG12 VAL 16 0.769 2.125 -5.504
116 HG13 VAL 16 HG13 VAL 16 2.114 1.063 -5.091
117 HG21 VAL 16 HG21 VAL 16 -0.703 0.569 -5.504
118 HG22 VAL 16 HG22 VAL 16 -1.465 0.025 -4.011
119 HG23 VAL 16 HG23 VAL 16 -0.118 -0.884 -4.695
120 H THR 17 H THR 17 0.919 1.619 -0.855
121 HA THR 17 HA THR 17 3.333 3.142 -0.839
122 HB THR 17 HB THR 17 1.561 2.397 1.514
123 HG1 THR 17 HG1 THR 17 0.059 3.394 0.468
124 HG21 THR 17 HG21 THR 17 3.250 4.837 0.892
125 HG22 THR 17 HG22 THR 17 3.570 3.635 2.142
126 HG23 THR 17 HG23 THR 17 2.164 4.691 2.274
127 H GLN 18 H GLN 18 2.461 0.110 0.837
128 HA GLN 18 HA GLN 18 4.805 -0.139 2.452
129 HB2 GLN 18 HB2 GLN 18 2.602 -1.842 1.429
130 HB3 GLN 18 HB3 GLN 18 4.054 -2.707 1.934
131 HG2 GLN 18 HG2 GLN 18 3.865 -2.018 4.146
132 HG3 GLN 18 HG3 GLN 18 2.956 -0.566 3.724
133 HE21 GLN 18 HE21 GLN 18 0.668 -1.056 2.771
134 HE22 GLN 18 HE22 GLN 18 -0.184 -2.350 3.467
135 H LEU 19 H LEU 19 4.113 -1.218 -0.844
136 HA LEU 19 HA LEU 19 6.481 -2.697 -1.380
137 HB2 LEU 19 HB2 LEU 19 4.580 -1.013 -3.013
138 HB3 LEU 19 HB3 LEU 19 5.970 -1.779 -3.779
139 HG LEU 19 HG LEU 19 4.241 -3.462 -2.009
140 HD11 LEU 19 HD11 LEU 19 2.526 -2.415 -3.296
141 HD12 LEU 19 HD12 LEU 19 2.844 -3.953 -4.097
142 HD13 LEU 19 HD13 LEU 19 3.500 -2.459 -4.766
143 HD21 LEU 19 HD21 LEU 19 6.072 -4.638 -2.895
144 HD22 LEU 19 HD22 LEU 19 5.989 -3.793 -4.441
145 HD23 LEU 19 HD23 LEU 19 4.790 -5.023 -4.042
146 H LEU 20 H LEU 20 5.819 0.800 -1.641
147 HA LEU 20 HA LEU 20 8.397 1.576 -2.666
148 HB2 LEU 20 HB2 LEU 20 6.149 2.932 -1.162
149 HB3 LEU 20 HB3 LEU 20 7.604 3.816 -1.619
150 HG LEU 20 HG LEU 20 6.589 2.257 -3.855
151 HD11 LEU 20 HD11 LEU 20 4.747 4.493 -3.069
152 HD12 LEU 20 HD12 LEU 20 4.480 2.885 -2.397
153 HD13 LEU 20 HD13 LEU 20 4.449 3.127 -4.143
154 HD21 LEU 20 HD21 LEU 20 7.136 5.182 -3.286
155 HD22 LEU 20 HD22 LEU 20 6.586 4.607 -4.860
156 HD23 LEU 20 HD23 LEU 20 8.131 4.058 -4.210
157 H ARG 21 H ARG 21 7.082 1.276 0.651
158 HA ARG 21 HA ARG 21 9.333 2.351 2.057
159 HB2 ARG 21 HB2 ARG 21 6.851 1.491 2.695
160 HB3 ARG 21 HB3 ARG 21 7.780 0.084 3.217
161 HG2 ARG 21 HG2 ARG 21 9.281 1.658 4.502
162 HG3 ARG 21 HG3 ARG 21 8.150 2.955 4.114
163 HD2 ARG 21 HD2 ARG 21 7.328 2.254 6.193
164 HD3 ARG 21 HD3 ARG 21 6.363 1.243 5.102
165 HE ARG 21 HE ARG 21 8.941 0.047 5.817
166 HH11 ARG 21 HH21 ARG 21 6.143 -1.215 5.267
167 HH12 ARG 21 HH22 ARG 21 5.807 -1.901 6.822
168 HH21 ARG 21 HH11 ARG 21 8.306 -0.110 8.441
169 HH22 ARG 21 HH12 ARG 21 7.039 -1.276 8.623
170 H ARG 22 H ARG 22 8.552 -1.007 1.086
171 HA ARG 22 HA ARG 22 10.814 -2.298 2.257
172 HB2 ARG 22 HB2 ARG 22 8.663 -2.843 0.376
173 HB3 ARG 22 HB3 ARG 22 10.158 -3.615 -0.152
174 HG2 ARG 22 HG2 ARG 22 9.383 -5.253 1.277
175 HG3 ARG 22 HG3 ARG 22 10.299 -4.281 2.428
176 HD2 ARG 22 HD2 ARG 22 8.087 -2.971 2.793
177 HD3 ARG 22 HD3 ARG 22 7.306 -4.355 2.003
178 HE ARG 22 HE ARG 22 9.197 -4.911 4.236
179 HH11 ARG 22 HH11 ARG 22 6.327 -3.725 4.784
180 HH12 ARG 22 HH12 ARG 22 5.498 -5.183 5.216
181 HH21 ARG 22 HH21 ARG 22 7.988 -7.275 3.994
182 HH22 ARG 22 HH22 ARG 22 6.440 -7.197 4.765
183 H LEU 23 H LEU 23 10.394 -0.720 -0.919
184 HA LEU 23 HA LEU 23 12.908 -1.422 -2.084
185 HB2 LEU 23 HB2 LEU 23 10.884 -0.349 -3.164
186 HB3 LEU 23 HB3 LEU 23 11.338 1.163 -2.378
187 HG LEU 23 HG LEU 23 13.596 -0.058 -3.768
188 HD11 LEU 23 HD11 LEU 23 12.127 -0.904 -5.406
189 HD12 LEU 23 HD12 LEU 23 12.592 0.670 -6.052
190 HD13 LEU 23 HD13 LEU 23 11.030 0.469 -5.261
191 HD21 LEU 23 HD21 LEU 23 12.154 2.602 -4.032
192 HD22 LEU 23 HD22 LEU 23 13.739 2.229 -4.711
193 HD23 LEU 23 HD23 LEU 23 13.517 2.272 -2.962
194 H HIS 24 H HIS 24 11.956 1.333 -0.012
195 HA HIS 24 HA HIS 24 14.515 2.658 0.010
196 HB2 HIS 24 HB2 HIS 24 12.215 3.534 0.686
197 HB3 HIS 24 HB3 HIS 24 12.389 2.610 2.177
198 HD1 HIS 24 HD1 HIS 24 13.356 5.782 0.590
199 HD2 HIS 24 HD2 HIS 24 14.705 3.475 3.791
200 HE1 HIS 24 HE1 HIS 24 14.860 7.281 1.971
201 H GLN 25 H GLN 25 13.024 0.190 2.106
202 HA GLN 25 HA GLN 25 15.070 0.033 4.100
203 HB2 GLN 25 HB2 GLN 25 12.901 -1.741 3.005
204 HB3 GLN 25 HB3 GLN 25 14.047 -2.413 4.165
205 HG2 GLN 25 HG2 GLN 25 13.230 -1.168 5.899
206 HG3 GLN 25 HG3 GLN 25 12.922 0.236 4.879
207 HE21 GLN 25 HE21 GLN 25 11.663 -3.169 4.847
208 HE22 GLN 25 HE22 GLN 25 10.031 -2.706 4.798
209 H TRP 26 H TRP 26 14.764 -1.443 0.887
210 HA TRP 26 HA TRP 26 16.956 -3.317 1.132
211 HB2 TRP 26 HB2 TRP 26 15.368 -2.030 -1.084
212 HB3 TRP 26 HB3 TRP 26 16.768 -3.025 -1.477
213 HD1 TRP 26 HD1 TRP 26 14.739 -4.015 1.561
214 HE1 TRP 26 HE1 TRP 26 13.452 -6.188 1.052
215 HE3 TRP 26 HE3 TRP 26 15.592 -4.395 -3.461
216 HZ2 TRP 26 HZ2 TRP 26 12.858 -7.865 -1.185
217 HZ3 TRP 26 HZ3 TRP 26 14.654 -6.290 -4.754
218 HH2 TRP 26 HH2 TRP 26 13.289 -8.024 -3.624
219 H ILE 27 H ILE 27 16.715 0.087 0.165
220 HA ILE 27 HA ILE 27 19.479 0.244 -0.804
221 HB ILE 27 HB ILE 27 17.339 2.304 -0.169
222 HG12 ILE 27 HG12 ILE 27 18.269 1.574 -2.925
223 HG13 ILE 27 HG13 ILE 27 17.165 0.478 -2.094
224 HG21 ILE 27 HG21 ILE 27 19.465 3.427 -0.093
225 HG22 ILE 27 HG22 ILE 27 18.765 3.769 -1.676
226 HG23 ILE 27 HG23 ILE 27 20.040 2.561 -1.518
227 HD11 ILE 27 HD11 ILE 27 16.716 3.346 -2.896
228 HD12 ILE 27 HD12 ILE 27 15.765 2.613 -1.604
229 HD13 ILE 27 HD13 ILE 27 15.712 1.936 -3.232
230 H SER 28 H SER 28 17.705 1.416 2.086
231 HA SER 28 HA SER 28 18.481 2.126 4.194
232 HB2 SER 28 HB2 SER 28 20.511 0.120 3.222
233 HB3 SER 28 HB3 SER 28 20.743 0.925 4.770
234 HG SER 28 HG SER 28 19.535 -1.087 4.841
Start of MODEL 27
1 H1 SER 1 H1 SER 1 -22.491 4.834 -4.270
2 H2 SER 1 H2 SER 1 -24.048 5.408 -3.905
3 H3 SER 1 H3 SER 1 -23.802 3.757 -4.230
4 HA SER 1 HA SER 1 -22.630 5.205 -1.904
5 HB2 SER 1 HB2 SER 1 -25.046 3.384 -2.189
6 HB3 SER 1 HB3 SER 1 -24.422 3.997 -0.660
7 HG SER 1 HG SER 1 -26.055 5.356 -1.358
8 H ASP 2 H ASP 2 -20.610 4.050 -2.543
9 HA ASP 2 HA ASP 2 -20.742 1.101 -1.995
10 HB2 ASP 2 HB2 ASP 2 -19.279 2.837 -3.937
11 HB3 ASP 2 HB3 ASP 2 -18.426 1.417 -3.330
12 H ALA 3 H ALA 3 -20.639 2.257 0.325
13 HA ALA 3 HA ALA 3 -18.194 3.400 1.277
14 HB1 ALA 3 HB1 ALA 3 -20.266 1.696 2.706
15 HB2 ALA 3 HB2 ALA 3 -20.400 3.432 2.426
16 HB3 ALA 3 HB3 ALA 3 -19.133 2.804 3.480
17 H ALA 4 H ALA 4 -19.324 0.004 1.190
18 HA ALA 4 HA ALA 4 -17.088 -1.186 2.518
19 HB1 ALA 4 HB1 ALA 4 -19.280 -2.259 2.043
20 HB2 ALA 4 HB2 ALA 4 -17.940 -3.239 1.447
21 HB3 ALA 4 HB3 ALA 4 -18.888 -2.267 0.323
22 H ALA 5 H ALA 5 -17.655 -0.421 -0.929
23 HA ALA 5 HA ALA 5 -15.277 -1.665 -1.959
24 HB1 ALA 5 HB1 ALA 5 -16.513 0.829 -3.113
25 HB2 ALA 5 HB2 ALA 5 -17.443 -0.670 -3.086
26 HB3 ALA 5 HB3 ALA 5 -15.911 -0.597 -3.957
27 H ARG 6 H ARG 6 -15.928 1.645 -0.759
28 HA ARG 6 HA ARG 6 -13.376 2.773 -1.378
29 HB2 ARG 6 HB2 ARG 6 -15.782 3.456 0.008
30 HB3 ARG 6 HB3 ARG 6 -14.431 3.816 1.083
31 HG2 ARG 6 HG2 ARG 6 -14.700 5.794 -0.189
32 HG3 ARG 6 HG3 ARG 6 -13.349 4.965 -0.961
33 HD2 ARG 6 HD2 ARG 6 -14.818 4.084 -2.703
34 HD3 ARG 6 HD3 ARG 6 -16.238 4.774 -1.892
35 HE ARG 6 HE ARG 6 -14.263 6.826 -2.327
36 HH11 ARG 6 HH21 ARG 6 -17.263 6.970 -2.860
37 HH12 ARG 6 HH22 ARG 6 -17.289 7.185 -4.579
38 HH21 ARG 6 HH11 ARG 6 -13.987 6.183 -5.012
39 HH22 ARG 6 HH12 ARG 6 -15.424 6.738 -5.804
40 H VAL 7 H VAL 7 -14.516 0.869 1.353
41 HA VAL 7 HA VAL 7 -12.203 1.124 3.041
42 HB VAL 7 HB VAL 7 -14.252 -1.099 2.684
43 HG11 VAL 7 HG11 VAL 7 -12.132 -0.605 4.779
44 HG12 VAL 7 HG12 VAL 7 -12.467 -2.089 3.887
45 HG13 VAL 7 HG13 VAL 7 -13.582 -1.543 5.139
46 HG21 VAL 7 HG21 VAL 7 -15.657 0.134 3.978
47 HG22 VAL 7 HG22 VAL 7 -14.629 1.500 3.546
48 HG23 VAL 7 HG23 VAL 7 -14.358 0.638 5.059
49 H THR 8 H THR 8 -13.070 -1.125 0.407
50 HA THR 8 HA THR 8 -10.727 -2.798 0.629
51 HB THR 8 HB THR 8 -12.481 -2.201 -1.774
52 HG1 THR 8 HG1 THR 8 -13.977 -3.273 -0.784
53 HG21 THR 8 HG21 THR 8 -10.379 -3.503 -2.188
54 HG22 THR 8 HG22 THR 8 -11.848 -4.420 -2.520
55 HG23 THR 8 HG23 THR 8 -10.949 -4.707 -1.030
56 H ALA 9 H ALA 9 -11.485 0.141 -1.176
57 HA ALA 9 HA ALA 9 -9.126 0.209 -2.816
58 HB1 ALA 9 HB1 ALA 9 -10.794 1.648 -3.543
59 HB2 ALA 9 HB2 ALA 9 -9.810 2.793 -2.633
60 HB3 ALA 9 HB3 ALA 9 -11.255 2.095 -1.901
61 H ILE 10 H ILE 10 -9.828 1.466 0.407
62 HA ILE 10 HA ILE 10 -7.422 2.963 0.823
63 HB ILE 10 HB ILE 10 -9.308 1.450 2.663
64 HG12 ILE 10 HG12 ILE 10 -8.989 4.437 2.405
65 HG13 ILE 10 HG13 ILE 10 -9.985 3.545 1.256
66 HG21 ILE 10 HG21 ILE 10 -7.351 1.609 3.974
67 HG22 ILE 10 HG22 ILE 10 -8.260 3.055 4.416
68 HG23 ILE 10 HG23 ILE 10 -6.909 3.172 3.286
69 HD11 ILE 10 HD11 ILE 10 -10.406 3.981 4.188
70 HD12 ILE 10 HD12 ILE 10 -11.003 2.488 3.464
71 HD13 ILE 10 HD13 ILE 10 -11.574 4.046 2.867
72 H LEU 11 H LEU 11 -8.234 -0.463 1.350
73 HA LEU 11 HA LEU 11 -5.707 -1.255 2.483
74 HB2 LEU 11 HB2 LEU 11 -8.115 -2.368 2.323
75 HB3 LEU 11 HB3 LEU 11 -7.439 -3.088 0.862
76 HG LEU 11 HG LEU 11 -5.703 -3.191 3.267
77 HD11 LEU 11 HD11 LEU 11 -7.864 -3.682 4.295
78 HD12 LEU 11 HD12 LEU 11 -6.933 -5.173 4.150
79 HD13 LEU 11 HD13 LEU 11 -8.239 -4.836 3.015
80 HD21 LEU 11 HD21 LEU 11 -5.133 -4.217 1.066
81 HD22 LEU 11 HD22 LEU 11 -6.549 -5.260 1.211
82 HD23 LEU 11 HD23 LEU 11 -5.218 -5.415 2.357
83 H SER 12 H SER 12 -6.990 -1.184 -0.812
84 HA SER 12 HA SER 12 -4.858 -2.516 -2.164
85 HB2 SER 12 HB2 SER 12 -6.931 -0.450 -2.887
86 HB3 SER 12 HB3 SER 12 -5.749 -0.975 -4.082
87 HG SER 12 HG SER 12 -7.819 -2.390 -2.836
88 H SER 13 H SER 13 -5.340 0.976 -1.481
89 HA SER 13 HA SER 13 -2.923 1.882 -2.745
90 HB2 SER 13 HB2 SER 13 -3.440 3.948 -1.641
91 HB3 SER 13 HB3 SER 13 -4.990 3.191 -1.990
92 HG SER 13 HG SER 13 -5.291 2.832 0.091
93 H LEU 14 H LEU 14 -3.626 0.686 0.525
94 HA LEU 14 HA LEU 14 -1.161 1.382 1.798
95 HB2 LEU 14 HB2 LEU 14 -3.549 -0.029 2.350
96 HB3 LEU 14 HB3 LEU 14 -2.243 -1.173 2.653
97 HG LEU 14 HG LEU 14 -2.059 1.638 3.711
98 HD11 LEU 14 HD11 LEU 14 -3.291 -0.656 5.249
99 HD12 LEU 14 HD12 LEU 14 -4.270 0.524 4.376
100 HD13 LEU 14 HD13 LEU 14 -3.230 1.048 5.701
101 HD21 LEU 14 HD21 LEU 14 -0.107 0.037 3.726
102 HD22 LEU 14 HD22 LEU 14 -1.050 -1.015 4.781
103 HD23 LEU 14 HD23 LEU 14 -0.585 0.596 5.328
104 H THR 15 H THR 15 -2.133 -1.524 -0.045
105 HA THR 15 HA THR 15 0.230 -3.075 0.280
106 HB THR 15 HB THR 15 -1.485 -2.850 -2.217
107 HG1 THR 15 HG1 THR 15 -3.081 -3.577 -1.085
108 HG21 THR 15 HG21 THR 15 -0.482 -5.408 -1.036
109 HG22 THR 15 HG22 THR 15 0.661 -4.386 -1.908
110 HG23 THR 15 HG23 THR 15 -0.780 -4.993 -2.724
111 H VAL 16 H VAL 16 -0.575 -0.550 -2.119
112 HA VAL 16 HA VAL 16 1.846 -0.733 -3.666
113 HB VAL 16 HB VAL 16 -0.062 1.577 -3.127
114 HG11 VAL 16 HG11 VAL 16 0.750 2.293 -5.441
115 HG12 VAL 16 HG12 VAL 16 2.061 1.131 -5.238
116 HG13 VAL 16 HG13 VAL 16 1.908 2.493 -4.127
117 HG21 VAL 16 HG21 VAL 16 -1.462 0.045 -4.125
118 HG22 VAL 16 HG22 VAL 16 -0.134 -0.830 -4.885
119 HG23 VAL 16 HG23 VAL 16 -0.709 0.683 -5.586
120 H THR 17 H THR 17 0.923 1.304 -0.865
121 HA THR 17 HA THR 17 3.318 2.855 -0.696
122 HB THR 17 HB THR 17 1.482 1.873 1.520
123 HG1 THR 17 HG1 THR 17 0.065 3.183 0.721
124 HG21 THR 17 HG21 THR 17 2.252 3.695 2.803
125 HG22 THR 17 HG22 THR 17 2.952 4.502 1.400
126 HG23 THR 17 HG23 THR 17 3.722 3.060 2.063
127 H GLN 18 H GLN 18 2.471 -0.333 0.676
128 HA GLN 18 HA GLN 18 4.816 -0.705 2.271
129 HB2 GLN 18 HB2 GLN 18 2.586 -2.283 1.163
130 HB3 GLN 18 HB3 GLN 18 4.054 -3.221 1.434
131 HG2 GLN 18 HG2 GLN 18 3.662 -1.498 3.690
132 HG3 GLN 18 HG3 GLN 18 2.150 -2.349 3.371
133 HE21 GLN 18 HE21 GLN 18 2.533 -4.842 2.889
134 HE22 GLN 18 HE22 GLN 18 3.659 -5.615 3.896
135 H LEU 19 H LEU 19 4.133 -1.433 -1.115
136 HA LEU 19 HA LEU 19 6.526 -2.837 -1.782
137 HB2 LEU 19 HB2 LEU 19 4.329 -2.360 -3.104
138 HB3 LEU 19 HB3 LEU 19 5.118 -0.859 -3.588
139 HG LEU 19 HG LEU 19 6.734 -3.340 -3.866
140 HD11 LEU 19 HD11 LEU 19 5.628 -4.148 -5.796
141 HD12 LEU 19 HD12 LEU 19 4.640 -2.695 -5.944
142 HD13 LEU 19 HD13 LEU 19 4.324 -3.849 -4.648
143 HD21 LEU 19 HD21 LEU 19 6.913 -1.976 -6.201
144 HD22 LEU 19 HD22 LEU 19 7.883 -1.577 -4.784
145 HD23 LEU 19 HD23 LEU 19 6.414 -0.666 -5.132
146 H LEU 20 H LEU 20 5.761 0.655 -1.842
147 HA LEU 20 HA LEU 20 8.351 1.556 -2.731
148 HB2 LEU 20 HB2 LEU 20 5.807 2.625 -1.785
149 HB3 LEU 20 HB3 LEU 20 7.163 3.554 -1.145
150 HG LEU 20 HG LEU 20 7.040 2.814 -4.067
151 HD11 LEU 20 HD11 LEU 20 5.820 5.248 -2.726
152 HD12 LEU 20 HD12 LEU 20 4.938 3.974 -3.567
153 HD13 LEU 20 HD13 LEU 20 6.014 5.043 -4.466
154 HD21 LEU 20 HD21 LEU 20 8.373 4.987 -4.166
155 HD22 LEU 20 HD22 LEU 20 9.172 3.648 -3.343
156 HD23 LEU 20 HD23 LEU 20 8.420 4.938 -2.404
157 H ARG 21 H ARG 21 6.916 1.034 0.505
158 HA ARG 21 HA ARG 21 9.053 2.116 2.071
159 HB2 ARG 21 HB2 ARG 21 6.844 0.111 2.436
160 HB3 ARG 21 HB3 ARG 21 8.057 0.274 3.706
161 HG2 ARG 21 HG2 ARG 21 6.518 2.619 2.554
162 HG3 ARG 21 HG3 ARG 21 6.026 1.752 4.008
163 HD2 ARG 21 HD2 ARG 21 8.799 2.950 3.731
164 HD3 ARG 21 HD3 ARG 21 7.434 3.863 4.402
165 HE ARG 21 HE ARG 21 8.390 1.259 5.544
166 HH11 ARG 21 HH21 ARG 21 9.276 3.713 6.947
167 HH12 ARG 21 HH22 ARG 21 8.044 3.939 8.143
168 HH21 ARG 21 HH11 ARG 21 5.771 1.826 6.582
169 HH22 ARG 21 HH12 ARG 21 6.054 2.866 7.936
170 H ARG 22 H ARG 22 8.558 -1.128 0.669
171 HA ARG 22 HA ARG 22 10.762 -2.461 1.921
172 HB2 ARG 22 HB2 ARG 22 9.017 -2.779 -0.477
173 HB3 ARG 22 HB3 ARG 22 10.531 -3.682 -0.494
174 HG2 ARG 22 HG2 ARG 22 8.568 -3.742 1.816
175 HG3 ARG 22 HG3 ARG 22 8.589 -4.939 0.521
176 HD2 ARG 22 HD2 ARG 22 11.222 -4.963 1.227
177 HD3 ARG 22 HD3 ARG 22 10.470 -4.592 2.791
178 HE ARG 22 HE ARG 22 10.110 -7.079 1.256
179 HH11 ARG 22 HH11 ARG 22 10.248 -6.152 4.341
180 HH12 ARG 22 HH12 ARG 22 8.743 -6.827 4.869
181 HH21 ARG 22 HH21 ARG 22 7.587 -7.442 1.649
182 HH22 ARG 22 HH22 ARG 22 7.232 -7.561 3.340
183 H LEU 23 H LEU 23 10.528 -0.606 -1.120
184 HA LEU 23 HA LEU 23 13.211 -0.958 -2.041
185 HB2 LEU 23 HB2 LEU 23 11.310 -0.041 -3.347
186 HB3 LEU 23 HB3 LEU 23 11.289 1.385 -2.311
187 HG LEU 23 HG LEU 23 13.941 0.812 -3.439
188 HD11 LEU 23 HD11 LEU 23 11.625 1.505 -5.272
189 HD12 LEU 23 HD12 LEU 23 12.620 0.051 -5.349
190 HD13 LEU 23 HD13 LEU 23 13.328 1.624 -5.715
191 HD21 LEU 23 HD21 LEU 23 12.989 2.911 -2.230
192 HD22 LEU 23 HD22 LEU 23 12.259 3.294 -3.788
193 HD23 LEU 23 HD23 LEU 23 14.012 3.164 -3.643
194 H HIS 24 H HIS 24 11.753 1.470 0.139
195 HA HIS 24 HA HIS 24 14.096 3.088 0.518
196 HB2 HIS 24 HB2 HIS 24 11.488 3.262 1.173
197 HB3 HIS 24 HB3 HIS 24 12.116 2.695 2.721
198 HD1 HIS 24 HD1 HIS 24 14.456 4.138 3.436
199 HD2 HIS 24 HD2 HIS 24 11.637 6.001 0.991
200 HE1 HIS 24 HE1 HIS 24 14.889 6.626 3.609
201 H GLN 25 H GLN 25 12.825 0.255 2.300
202 HA GLN 25 HA GLN 25 14.726 0.202 4.426
203 HB2 GLN 25 HB2 GLN 25 12.572 -1.142 4.067
204 HB3 GLN 25 HB3 GLN 25 13.518 -2.193 3.014
205 HG2 GLN 25 HG2 GLN 25 15.001 -1.808 5.429
206 HG3 GLN 25 HG3 GLN 25 13.351 -2.250 5.867
207 HE21 GLN 25 HE21 GLN 25 16.093 -3.318 3.792
208 HE22 GLN 25 HE22 GLN 25 15.653 -4.957 3.799
209 H TRP 26 H TRP 26 14.880 -1.089 1.107
210 HA TRP 26 HA TRP 26 17.333 -2.555 1.357
211 HB2 TRP 26 HB2 TRP 26 15.545 -2.533 -0.496
212 HB3 TRP 26 HB3 TRP 26 16.338 -1.074 -1.091
213 HD1 TRP 26 HD1 TRP 26 18.662 -1.315 -2.260
214 HE1 TRP 26 HE1 TRP 26 20.034 -3.345 -3.065
215 HE3 TRP 26 HE3 TRP 26 16.122 -5.079 0.076
216 HZ2 TRP 26 HZ2 TRP 26 20.050 -6.190 -2.758
217 HZ3 TRP 26 HZ3 TRP 26 16.836 -7.436 -0.196
218 HH2 TRP 26 HH2 TRP 26 18.795 -7.996 -1.609
219 H ILE 27 H ILE 27 16.632 0.865 0.710
220 HA ILE 27 HA ILE 27 19.448 1.549 0.189
221 HB ILE 27 HB ILE 27 16.946 3.215 0.659
222 HG12 ILE 27 HG12 ILE 27 18.235 2.860 -2.019
223 HG13 ILE 27 HG13 ILE 27 17.266 1.526 -1.391
224 HG21 ILE 27 HG21 ILE 27 18.252 5.003 -0.496
225 HG22 ILE 27 HG22 ILE 27 19.669 3.952 -0.457
226 HG23 ILE 27 HG23 ILE 27 18.962 4.535 1.050
227 HD11 ILE 27 HD11 ILE 27 15.658 2.785 -2.522
228 HD12 ILE 27 HD12 ILE 27 16.408 4.320 -2.083
229 HD13 ILE 27 HD13 ILE 27 15.506 3.404 -0.877
230 H SER 28 H SER 28 17.064 2.004 2.816
231 HA SER 28 HA SER 28 19.288 2.261 4.766
232 HB2 SER 28 HB2 SER 28 18.002 4.341 5.659
233 HB3 SER 28 HB3 SER 28 18.993 4.545 4.220
234 HG SER 28 HG SER 28 17.196 4.568 2.979