NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
575957 |
2mkb   |
19765 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA HIS 1 HA HIS 1 -20.430 -0.053 6.078
2 HB2 HIS 1 HB2 HIS 1 -22.443 1.863 5.218
3 HB3 HIS 1 HB3 HIS 1 -21.735 1.039 3.830
4 HD1 HIS 1 HD1 HIS 1 -24.132 0.568 6.557
5 HD2 HIS 1 HD2 HIS 1 -21.859 -1.915 4.097
6 HE1 HIS 1 HE1 HIS 1 -25.138 -1.747 6.751
7 H ALA 2 H ALA 2 -18.577 -0.580 4.985
8 HA ALA 2 HA ALA 2 -17.666 1.033 2.691
9 HB1 ALA 2 HB1 ALA 2 -15.408 1.350 3.796
10 HB2 ALA 2 HB2 ALA 2 -16.136 0.784 5.298
11 HB3 ALA 2 HB3 ALA 2 -16.714 2.268 4.542
12 H TRP 3 H TRP 3 -17.492 -0.696 1.288
13 HA TRP 3 HA TRP 3 -16.214 -3.222 2.242
14 HB2 TRP 3 HB2 TRP 3 -18.416 -2.526 0.581
15 HB3 TRP 3 HB3 TRP 3 -17.217 -3.295 -0.458
16 HD1 TRP 3 HD1 TRP 3 -16.556 -5.810 0.051
17 HE1 TRP 3 HE1 TRP 3 -17.723 -7.660 1.414
18 HE3 TRP 3 HE3 TRP 3 -19.902 -2.990 2.688
19 HZ2 TRP 3 HZ2 TRP 3 -19.801 -7.913 3.364
20 HZ3 TRP 3 HZ3 TRP 3 -21.461 -4.061 4.288
21 HH2 TRP 3 HH2 TRP 3 -21.415 -6.516 4.630
22 H TYR 4 H TYR 4 -15.708 -0.517 0.043
23 HA TYR 4 HA TYR 4 -13.353 -1.890 -1.161
24 HB2 TYR 4 HB2 TYR 4 -13.522 -0.163 -2.874
25 HB3 TYR 4 HB3 TYR 4 -15.117 -0.854 -2.601
26 HD1 TYR 4 HD1 TYR 4 -12.963 2.103 -2.059
27 HD2 TYR 4 HD2 TYR 4 -16.898 0.447 -1.566
28 HE1 TYR 4 HE1 TYR 4 -13.851 4.361 -1.554
29 HE2 TYR 4 HE2 TYR 4 -17.783 2.706 -1.057
30 HH TYR 4 HH TYR 4 -16.535 5.384 -1.826
31 H SER 5 H SER 5 -13.703 -0.321 1.601
32 HA SER 5 HA SER 5 -11.745 1.838 1.363
33 HB2 SER 5 HB2 SER 5 -13.779 1.220 3.060
34 HB3 SER 5 HB3 SER 5 -12.404 0.650 3.999
35 HG SER 5 HG SER 5 -13.238 3.146 3.614
36 H HIS 6 H HIS 6 -11.615 -1.588 1.995
37 HA HIS 6 HA HIS 6 -8.994 -1.522 3.306
38 HB2 HIS 6 HB2 HIS 6 -10.758 -3.227 3.757
39 HB3 HIS 6 HB3 HIS 6 -10.593 -3.801 2.097
40 HD1 HIS 6 HD1 HIS 6 -9.200 -5.868 2.045
41 HD2 HIS 6 HD2 HIS 6 -7.831 -3.181 4.926
42 HE1 HIS 6 HE1 HIS 6 -7.140 -6.914 3.079
43 H TYR 7 H TYR 7 -10.217 -1.871 0.029
44 HA TYR 7 HA TYR 7 -7.873 -3.031 -1.163
45 HB2 TYR 7 HB2 TYR 7 -10.041 -1.212 -2.264
46 HB3 TYR 7 HB3 TYR 7 -8.892 -2.101 -3.262
47 HD1 TYR 7 HD1 TYR 7 -8.682 -4.709 -2.032
48 HD2 TYR 7 HD2 TYR 7 -12.141 -2.203 -2.470
49 HE1 TYR 7 HE1 TYR 7 -10.144 -6.708 -1.921
50 HE2 TYR 7 HE2 TYR 7 -13.604 -4.201 -2.357
51 HH TYR 7 HH TYR 7 -13.056 -6.813 -1.158
52 H VAL 8 H VAL 8 -8.923 0.360 -0.822
53 HA VAL 8 HA VAL 8 -6.587 1.512 -2.045
54 HB VAL 8 HB VAL 8 -8.803 2.628 -1.683
55 HG11 VAL 8 HG11 VAL 8 -9.266 3.580 0.566
56 HG12 VAL 8 HG12 VAL 8 -7.879 2.700 1.207
57 HG13 VAL 8 HG13 VAL 8 -9.272 1.817 0.580
58 HG21 VAL 8 HG21 VAL 8 -6.944 4.064 -2.180
59 HG22 VAL 8 HG22 VAL 8 -6.328 3.940 -0.532
60 HG23 VAL 8 HG23 VAL 8 -7.823 4.820 -0.851
61 H LEU 9 H LEU 9 -7.299 0.381 1.209
62 HA LEU 9 HA LEU 9 -4.916 1.582 2.424
63 HB2 LEU 9 HB2 LEU 9 -7.343 0.586 3.291
64 HB3 LEU 9 HB3 LEU 9 -6.237 -0.710 3.739
65 HG LEU 9 HG LEU 9 -6.444 0.914 5.573
66 HD11 LEU 9 HD11 LEU 9 -4.088 1.303 5.951
67 HD12 LEU 9 HD12 LEU 9 -3.746 1.215 4.223
68 HD13 LEU 9 HD13 LEU 9 -4.250 -0.232 5.097
69 HD21 LEU 9 HD21 LEU 9 -5.198 2.959 3.720
70 HD22 LEU 9 HD22 LEU 9 -5.884 3.222 5.323
71 HD23 LEU 9 HD23 LEU 9 -6.942 2.846 3.963
72 H LYS 10 H LYS 10 -5.899 -1.646 1.237
73 HA LYS 10 HA LYS 10 -3.470 -3.006 2.026
74 HB2 LYS 10 HB2 LYS 10 -5.757 -3.976 1.454
75 HB3 LYS 10 HB3 LYS 10 -5.375 -3.670 -0.241
76 HG2 LYS 10 HG2 LYS 10 -4.756 -5.944 0.176
77 HG3 LYS 10 HG3 LYS 10 -3.249 -5.030 0.121
78 HD2 LYS 10 HD2 LYS 10 -3.733 -4.798 2.741
79 HD3 LYS 10 HD3 LYS 10 -4.613 -6.301 2.455
80 HE2 LYS 10 HE2 LYS 10 -2.562 -7.253 1.373
81 HE3 LYS 10 HE3 LYS 10 -1.688 -5.774 1.814
82 HZ1 LYS 10 HZ1 LYS 10 -2.224 -6.139 4.119
83 HZ2 LYS 10 HZ2 LYS 10 -1.473 -7.535 3.508
84 HZ3 LYS 10 HZ3 LYS 10 -3.155 -7.505 3.737
85 H PHE 11 H PHE 11 -4.558 -1.502 -1.035
86 HA PHE 11 HA PHE 11 -2.223 -2.151 -2.584
87 HB2 PHE 11 HB2 PHE 11 -4.390 -1.428 -3.515
88 HB3 PHE 11 HB3 PHE 11 -4.212 0.146 -2.741
89 HD1 PHE 11 HD1 PHE 11 -2.916 -2.081 -5.398
90 HD2 PHE 11 HD2 PHE 11 -2.714 1.827 -3.625
91 HE1 PHE 11 HE1 PHE 11 -1.631 -1.260 -7.353
92 HE2 PHE 11 HE2 PHE 11 -1.429 2.648 -5.580
93 HZ PHE 11 HZ PHE 11 -0.888 1.105 -7.445
94 H PHE 12 H PHE 12 -3.078 0.701 -0.595
95 HA PHE 12 HA PHE 12 -0.728 2.251 -1.153
96 HB2 PHE 12 HB2 PHE 12 -2.970 2.879 -0.032
97 HB3 PHE 12 HB3 PHE 12 -2.280 2.211 1.447
98 HD1 PHE 12 HD1 PHE 12 -0.079 3.156 2.309
99 HD2 PHE 12 HD2 PHE 12 -2.367 5.042 -0.799
100 HE1 PHE 12 HE1 PHE 12 1.152 5.276 2.691
101 HE2 PHE 12 HE2 PHE 12 -1.137 7.163 -0.417
102 HZ PHE 12 HZ PHE 12 0.621 7.279 1.327
103 H LEU 13 H LEU 13 -1.464 -0.135 1.415
104 HA LEU 13 HA LEU 13 0.969 0.116 2.896
105 HB2 LEU 13 HB2 LEU 13 -1.242 -1.104 3.421
106 HB3 LEU 13 HB3 LEU 13 -0.604 -2.433 2.452
107 HG LEU 13 HG LEU 13 1.533 -1.891 4.074
108 HD11 LEU 13 HD11 LEU 13 0.665 -1.618 6.359
109 HD12 LEU 13 HD12 LEU 13 -0.979 -1.494 5.731
110 HD13 LEU 13 HD13 LEU 13 0.204 -0.240 5.359
111 HD21 LEU 13 HD21 LEU 13 0.893 -3.919 5.270
112 HD22 LEU 13 HD22 LEU 13 0.462 -4.097 3.570
113 HD23 LEU 13 HD23 LEU 13 -0.784 -3.726 4.762
114 H LEU 14 H LEU 14 0.160 -1.754 -0.016
115 HA LEU 14 HA LEU 14 2.596 -3.318 -0.088
116 HB2 LEU 14 HB2 LEU 14 0.293 -3.667 -1.228
117 HB3 LEU 14 HB3 LEU 14 0.872 -2.525 -2.441
118 HG LEU 14 HG LEU 14 2.765 -4.698 -1.743
119 HD11 LEU 14 HD11 LEU 14 0.540 -5.858 -1.756
120 HD12 LEU 14 HD12 LEU 14 1.608 -6.385 -3.056
121 HD13 LEU 14 HD13 LEU 14 0.288 -5.267 -3.400
122 HD21 LEU 14 HD21 LEU 14 1.740 -3.725 -4.425
123 HD22 LEU 14 HD22 LEU 14 3.249 -4.575 -4.094
124 HD23 LEU 14 HD23 LEU 14 3.034 -2.915 -3.541
125 H VAL 15 H VAL 15 1.555 -0.325 -1.714
126 HA VAL 15 HA VAL 15 4.058 0.048 -3.157
127 HB VAL 15 HB VAL 15 1.700 1.849 -2.501
128 HG11 VAL 15 HG11 VAL 15 3.374 3.397 -3.045
129 HG12 VAL 15 HG12 VAL 15 2.654 3.062 -4.620
130 HG13 VAL 15 HG13 VAL 15 4.172 2.288 -4.162
131 HG21 VAL 15 HG21 VAL 15 2.464 0.122 -4.868
132 HG22 VAL 15 HG22 VAL 15 1.251 1.397 -4.984
133 HG23 VAL 15 HG23 VAL 15 0.998 0.035 -3.892
134 H PHE 16 H PHE 16 2.619 1.532 -0.231
135 HA PHE 16 HA PHE 16 4.826 3.308 0.320
136 HB2 PHE 16 HB2 PHE 16 2.387 3.307 1.163
137 HB3 PHE 16 HB3 PHE 16 2.913 2.091 2.326
138 HD1 PHE 16 HD1 PHE 16 3.599 5.553 1.111
139 HD2 PHE 16 HD2 PHE 16 4.084 2.706 4.291
140 HE1 PHE 16 HE1 PHE 16 4.500 7.341 2.575
141 HE2 PHE 16 HE2 PHE 16 4.983 4.494 5.755
142 HZ PHE 16 HZ PHE 16 5.192 6.812 4.897
143 H GLY 17 H GLY 17 4.088 -0.044 1.256
144 HA2 GLY 17 HA2 GLY 17 6.142 -0.343 3.232
145 HA3 GLY 17 HA3 GLY 17 5.394 -1.666 2.336
146 H GLU 18 H GLU 18 6.115 -1.133 -0.270
147 HA GLU 18 HA GLU 18 8.795 -2.084 -0.440
148 HB2 GLU 18 HB2 GLU 18 6.723 -1.950 -2.110
149 HB3 GLU 18 HB3 GLU 18 7.554 -0.493 -2.654
150 HG2 GLU 18 HG2 GLU 18 9.387 -2.745 -2.302
151 HG3 GLU 18 HG3 GLU 18 8.117 -3.093 -3.476
152 H ASN 19 H ASN 19 7.493 1.201 -0.482
153 HA ASN 19 HA ASN 19 9.828 2.603 -1.353
154 HB2 ASN 19 HB2 ASN 19 7.281 3.149 0.052
155 HB3 ASN 19 HB3 ASN 19 8.566 4.312 0.381
156 HD21 ASN 19 HD21 ASN 19 6.317 3.177 -2.047
157 HD22 ASN 19 HD22 ASN 19 6.768 4.278 -3.258
158 H GLY 20 H GLY 20 8.838 1.396 1.819
159 HA2 GLY 20 HA2 GLY 20 11.180 2.614 3.138
160 HA3 GLY 20 HA3 GLY 20 9.917 1.673 3.934
161 H VAL 21 H VAL 21 9.986 -0.629 2.231
162 HA VAL 21 HA VAL 21 12.163 -2.099 3.423
163 HB VAL 21 HB VAL 21 10.217 -2.675 1.169
164 HG11 VAL 21 HG11 VAL 21 10.821 -5.089 1.636
165 HG12 VAL 21 HG12 VAL 21 12.191 -4.495 2.577
166 HG13 VAL 21 HG13 VAL 21 12.094 -4.158 0.848
167 HG21 VAL 21 HG21 VAL 21 10.255 -3.809 3.971
168 HG22 VAL 21 HG22 VAL 21 8.917 -3.778 2.821
169 HG23 VAL 21 HG23 VAL 21 9.442 -2.287 3.603
170 H PHE 22 H PHE 22 11.833 -0.402 0.361
171 HA PHE 22 HA PHE 22 14.386 -1.574 -0.640
172 HB2 PHE 22 HB2 PHE 22 12.040 -1.137 -1.868
173 HB3 PHE 22 HB3 PHE 22 12.778 0.438 -2.155
174 HD1 PHE 22 HD1 PHE 22 13.337 -3.233 -2.534
175 HD2 PHE 22 HD2 PHE 22 14.453 0.714 -3.808
176 HE1 PHE 22 HE1 PHE 22 14.702 -4.208 -4.359
177 HE2 PHE 22 HE2 PHE 22 15.818 -0.261 -5.635
178 HZ PHE 22 HZ PHE 22 15.943 -2.722 -5.910
179 H PHE 23 H PHE 23 14.125 0.523 1.607
180 HA PHE 23 HA PHE 23 16.273 2.289 0.637
181 HB2 PHE 23 HB2 PHE 23 13.553 3.011 0.389
182 HB3 PHE 23 HB3 PHE 23 14.163 3.939 1.757
183 HD1 PHE 23 HD1 PHE 23 16.100 5.468 1.478
184 HD2 PHE 23 HD2 PHE 23 14.344 3.407 -1.857
185 HE1 PHE 23 HE1 PHE 23 17.261 7.005 -0.085
186 HE2 PHE 23 HE2 PHE 23 15.504 4.944 -3.419
187 HZ PHE 23 HZ PHE 23 16.963 6.743 -2.533
188 H TYR 24 H TYR 24 16.269 0.358 2.711
189 HA TYR 24 HA TYR 24 16.498 2.104 5.142
190 HB2 TYR 24 HB2 TYR 24 14.558 0.224 4.690
191 HB3 TYR 24 HB3 TYR 24 15.776 -0.744 5.515
192 HD1 TYR 24 HD1 TYR 24 14.156 2.638 5.784
193 HD2 TYR 24 HD2 TYR 24 15.740 -0.784 7.843
194 HE1 TYR 24 HE1 TYR 24 13.473 3.626 7.953
195 HE2 TYR 24 HE2 TYR 24 15.057 0.205 10.011
196 HH TYR 24 HH TYR 24 12.958 2.212 10.534
197 H LYS 25 H LYS 25 18.587 1.226 3.223
198 HA LYS 25 HA LYS 25 20.758 0.310 3.237
199 HB2 LYS 25 HB2 LYS 25 20.044 1.031 6.053
200 HB3 LYS 25 HB3 LYS 25 21.525 0.107 5.806
201 HG2 LYS 25 HG2 LYS 25 22.193 1.813 4.062
202 HG3 LYS 25 HG3 LYS 25 20.813 2.782 4.580
203 HD2 LYS 25 HD2 LYS 25 21.739 3.241 6.663
204 HD3 LYS 25 HD3 LYS 25 22.744 1.790 6.650
205 HE2 LYS 25 HE2 LYS 25 24.261 2.765 5.031
206 HE3 LYS 25 HE3 LYS 25 23.188 4.160 4.798
207 HZ1 LYS 25 HZ1 LYS 25 23.436 4.713 7.135
208 HZ2 LYS 25 HZ2 LYS 25 24.961 4.658 6.389
209 HZ3 LYS 25 HZ3 LYS 25 24.449 3.374 7.377
Start of MODEL 2
1 HA HIS 1 HA HIS 1 -15.919 4.762 3.894
2 HB2 HIS 1 HB2 HIS 1 -17.047 6.153 5.889
3 HB3 HIS 1 HB3 HIS 1 -17.592 4.547 6.369
4 HD1 HIS 1 HD1 HIS 1 -15.279 6.422 7.728
5 HD2 HIS 1 HD2 HIS 1 -14.728 2.985 5.432
6 HE1 HIS 1 HE1 HIS 1 -13.003 5.502 8.349
7 H ALA 2 H ALA 2 -17.530 3.381 2.219
8 HA ALA 2 HA ALA 2 -17.805 0.744 3.551
9 HB1 ALA 2 HB1 ALA 2 -19.972 1.970 3.810
10 HB2 ALA 2 HB2 ALA 2 -20.134 0.522 2.818
11 HB3 ALA 2 HB3 ALA 2 -20.069 2.111 2.055
12 H TRP 3 H TRP 3 -17.316 -0.910 2.109
13 HA TRP 3 HA TRP 3 -16.729 -1.992 0.101
14 HB2 TRP 3 HB2 TRP 3 -18.954 -0.438 -0.431
15 HB3 TRP 3 HB3 TRP 3 -17.812 0.106 -1.658
16 HD1 TRP 3 HD1 TRP 3 -19.761 -2.951 -0.504
17 HE1 TRP 3 HE1 TRP 3 -19.653 -4.758 -2.341
18 HE3 TRP 3 HE3 TRP 3 -16.364 -0.806 -3.659
19 HZ2 TRP 3 HZ2 TRP 3 -18.304 -5.230 -4.819
20 HZ3 TRP 3 HZ3 TRP 3 -15.687 -1.953 -5.747
21 HH2 TRP 3 HH2 TRP 3 -16.652 -4.161 -6.330
22 H TYR 4 H TYR 4 -15.139 -1.818 -1.610
23 HA TYR 4 HA TYR 4 -12.950 -1.171 -2.223
24 HB2 TYR 4 HB2 TYR 4 -13.061 0.819 -3.618
25 HB3 TYR 4 HB3 TYR 4 -14.563 -0.078 -3.778
26 HD1 TYR 4 HD1 TYR 4 -12.981 2.947 -2.338
27 HD2 TYR 4 HD2 TYR 4 -16.667 0.835 -2.979
28 HE1 TYR 4 HE1 TYR 4 -14.253 4.972 -1.692
29 HE2 TYR 4 HE2 TYR 4 -17.938 2.864 -2.340
30 HH TYR 4 HH TYR 4 -16.951 5.746 -2.388
31 H SER 5 H SER 5 -13.441 -0.706 0.667
32 HA SER 5 HA SER 5 -11.870 1.786 1.158
33 HB2 SER 5 HB2 SER 5 -13.629 -0.005 2.843
34 HB3 SER 5 HB3 SER 5 -12.635 1.265 3.552
35 HG SER 5 HG SER 5 -13.806 2.776 2.507
36 H HIS 6 H HIS 6 -11.852 -1.713 1.782
37 HA HIS 6 HA HIS 6 -9.298 -1.574 3.225
38 HB2 HIS 6 HB2 HIS 6 -9.633 -3.928 3.540
39 HB3 HIS 6 HB3 HIS 6 -11.228 -3.191 3.653
40 HD1 HIS 6 HD1 HIS 6 -12.948 -3.796 1.857
41 HD2 HIS 6 HD2 HIS 6 -9.174 -5.393 1.089
42 HE1 HIS 6 HE1 HIS 6 -13.238 -5.439 -0.049
43 H TYR 7 H TYR 7 -10.376 -2.167 -0.057
44 HA TYR 7 HA TYR 7 -7.998 -3.445 -1.060
45 HB2 TYR 7 HB2 TYR 7 -10.419 -2.070 -2.102
46 HB3 TYR 7 HB3 TYR 7 -9.039 -2.104 -3.196
47 HD1 TYR 7 HD1 TYR 7 -7.756 -4.542 -3.094
48 HD2 TYR 7 HD2 TYR 7 -11.928 -3.811 -2.371
49 HE1 TYR 7 HE1 TYR 7 -8.270 -6.899 -3.670
50 HE2 TYR 7 HE2 TYR 7 -12.440 -6.167 -2.949
51 HH TYR 7 HH TYR 7 -10.923 -8.026 -4.594
52 H VAL 8 H VAL 8 -9.066 -0.044 -1.090
53 HA VAL 8 HA VAL 8 -6.673 1.036 -2.249
54 HB VAL 8 HB VAL 8 -8.940 2.125 -2.072
55 HG11 VAL 8 HG11 VAL 8 -9.567 3.213 0.024
56 HG12 VAL 8 HG12 VAL 8 -8.106 2.609 0.805
57 HG13 VAL 8 HG13 VAL 8 -9.364 1.483 0.296
58 HG21 VAL 8 HG21 VAL 8 -8.069 4.383 -1.661
59 HG22 VAL 8 HG22 VAL 8 -6.892 3.438 -2.573
60 HG23 VAL 8 HG23 VAL 8 -6.658 3.708 -0.846
61 H LEU 9 H LEU 9 -7.524 0.093 1.018
62 HA LEU 9 HA LEU 9 -5.359 1.489 2.368
63 HB2 LEU 9 HB2 LEU 9 -7.612 0.541 3.250
64 HB3 LEU 9 HB3 LEU 9 -6.782 -1.014 3.292
65 HG LEU 9 HG LEU 9 -4.950 0.181 4.638
66 HD11 LEU 9 HD11 LEU 9 -5.531 2.479 4.194
67 HD12 LEU 9 HD12 LEU 9 -5.843 2.184 5.904
68 HD13 LEU 9 HD13 LEU 9 -7.183 2.227 4.759
69 HD21 LEU 9 HD21 LEU 9 -6.432 0.130 6.745
70 HD22 LEU 9 HD22 LEU 9 -6.355 -1.353 5.795
71 HD23 LEU 9 HD23 LEU 9 -7.757 -0.292 5.661
72 H LYS 10 H LYS 10 -5.799 -1.759 0.964
73 HA LYS 10 HA LYS 10 -3.302 -2.847 1.966
74 HB2 LYS 10 HB2 LYS 10 -5.606 -3.649 0.441
75 HB3 LYS 10 HB3 LYS 10 -4.154 -4.135 -0.435
76 HG2 LYS 10 HG2 LYS 10 -4.610 -4.701 2.507
77 HG3 LYS 10 HG3 LYS 10 -4.971 -5.851 1.220
78 HD2 LYS 10 HD2 LYS 10 -2.701 -6.080 0.617
79 HD3 LYS 10 HD3 LYS 10 -2.239 -4.591 1.442
80 HE2 LYS 10 HE2 LYS 10 -3.433 -6.806 3.083
81 HE3 LYS 10 HE3 LYS 10 -1.738 -6.939 2.574
82 HZ1 LYS 10 HZ1 LYS 10 -2.951 -4.580 3.926
83 HZ2 LYS 10 HZ2 LYS 10 -1.328 -4.723 3.440
84 HZ3 LYS 10 HZ3 LYS 10 -1.940 -5.720 4.670
85 H PHE 11 H PHE 11 -4.303 -1.435 -1.171
86 HA PHE 11 HA PHE 11 -1.833 -1.767 -2.564
87 HB2 PHE 11 HB2 PHE 11 -4.067 -1.143 -3.511
88 HB3 PHE 11 HB3 PHE 11 -3.905 0.448 -2.769
89 HD1 PHE 11 HD1 PHE 11 -2.246 -1.895 -5.164
90 HD2 PHE 11 HD2 PHE 11 -2.707 2.170 -3.854
91 HE1 PHE 11 HE1 PHE 11 -0.931 -1.116 -7.117
92 HE2 PHE 11 HE2 PHE 11 -1.394 2.948 -5.807
93 HZ PHE 11 HZ PHE 11 -0.506 1.306 -7.439
94 H PHE 12 H PHE 12 -3.010 0.931 -0.516
95 HA PHE 12 HA PHE 12 -0.775 2.683 -0.892
96 HB2 PHE 12 HB2 PHE 12 -3.173 2.830 0.326
97 HB3 PHE 12 HB3 PHE 12 -2.174 2.519 1.746
98 HD1 PHE 12 HD1 PHE 12 -0.396 4.095 2.410
99 HD2 PHE 12 HD2 PHE 12 -2.969 4.891 -0.937
100 HE1 PHE 12 HE1 PHE 12 0.335 6.463 2.411
101 HE2 PHE 12 HE2 PHE 12 -2.238 7.260 -0.934
102 HZ PHE 12 HZ PHE 12 -0.586 8.047 0.739
103 H LEU 13 H LEU 13 -1.428 0.232 1.639
104 HA LEU 13 HA LEU 13 1.056 0.548 3.056
105 HB2 LEU 13 HB2 LEU 13 -1.205 -0.627 3.647
106 HB3 LEU 13 HB3 LEU 13 -0.512 -2.022 2.819
107 HG LEU 13 HG LEU 13 1.582 -1.369 4.392
108 HD11 LEU 13 HD11 LEU 13 0.553 -0.867 6.676
109 HD12 LEU 13 HD12 LEU 13 -0.915 -0.409 5.810
110 HD13 LEU 13 HD13 LEU 13 0.584 0.479 5.538
111 HD21 LEU 13 HD21 LEU 13 0.719 -3.106 5.971
112 HD22 LEU 13 HD22 LEU 13 0.548 -3.579 4.282
113 HD23 LEU 13 HD23 LEU 13 -0.854 -2.999 5.181
114 H LEU 14 H LEU 14 0.079 -1.436 0.281
115 HA LEU 14 HA LEU 14 2.469 -3.061 0.163
116 HB2 LEU 14 HB2 LEU 14 -0.024 -2.628 -1.274
117 HB3 LEU 14 HB3 LEU 14 1.311 -2.857 -2.397
118 HG LEU 14 HG LEU 14 0.223 -5.007 -1.769
119 HD11 LEU 14 HD11 LEU 14 2.242 -6.212 -1.474
120 HD12 LEU 14 HD12 LEU 14 2.984 -4.906 -0.549
121 HD13 LEU 14 HD13 LEU 14 2.734 -4.725 -2.286
122 HD21 LEU 14 HD21 LEU 14 1.386 -4.584 0.990
123 HD22 LEU 14 HD22 LEU 14 0.250 -5.825 0.463
124 HD23 LEU 14 HD23 LEU 14 -0.280 -4.150 0.610
125 H VAL 15 H VAL 15 1.479 -0.013 -1.354
126 HA VAL 15 HA VAL 15 3.852 0.214 -3.035
127 HB VAL 15 HB VAL 15 1.595 2.043 -2.176
128 HG11 VAL 15 HG11 VAL 15 2.545 3.494 -4.131
129 HG12 VAL 15 HG12 VAL 15 4.063 2.664 -3.789
130 HG13 VAL 15 HG13 VAL 15 3.287 3.634 -2.536
131 HG21 VAL 15 HG21 VAL 15 0.625 1.466 -4.175
132 HG22 VAL 15 HG22 VAL 15 1.623 0.026 -3.985
133 HG23 VAL 15 HG23 VAL 15 2.174 1.350 -5.010
134 H PHE 16 H PHE 16 2.757 1.990 -0.098
135 HA PHE 16 HA PHE 16 5.208 3.433 0.290
136 HB2 PHE 16 HB2 PHE 16 2.673 2.931 1.657
137 HB3 PHE 16 HB3 PHE 16 4.013 3.083 2.792
138 HD1 PHE 16 HD1 PHE 16 5.368 5.141 2.885
139 HD2 PHE 16 HD2 PHE 16 1.976 4.801 0.271
140 HE1 PHE 16 HE1 PHE 16 5.373 7.600 2.559
141 HE2 PHE 16 HE2 PHE 16 1.982 7.260 -0.056
142 HZ PHE 16 HZ PHE 16 3.680 8.659 1.088
143 H GLY 17 H GLY 17 4.108 0.247 1.440
144 HA2 GLY 17 HA2 GLY 17 6.214 -0.244 3.302
145 HA3 GLY 17 HA3 GLY 17 5.286 -1.497 2.475
146 H GLU 18 H GLU 18 5.960 -0.993 -0.193
147 HA GLU 18 HA GLU 18 8.511 -2.280 -0.438
148 HB2 GLU 18 HB2 GLU 18 6.501 -2.211 -2.034
149 HB3 GLU 18 HB3 GLU 18 7.093 -0.631 -2.542
150 HG2 GLU 18 HG2 GLU 18 9.243 -1.621 -3.199
151 HG3 GLU 18 HG3 GLU 18 8.700 -3.204 -2.640
152 H ASN 19 H ASN 19 7.547 1.122 -0.596
153 HA ASN 19 HA ASN 19 9.998 2.197 -1.611
154 HB2 ASN 19 HB2 ASN 19 7.762 3.256 0.127
155 HB3 ASN 19 HB3 ASN 19 9.095 4.282 -0.403
156 HD21 ASN 19 HD21 ASN 19 6.130 4.272 -1.209
157 HD22 ASN 19 HD22 ASN 19 6.159 4.182 -2.903
158 H GLY 20 H GLY 20 9.176 0.939 1.530
159 HA2 GLY 20 HA2 GLY 20 11.667 2.112 2.688
160 HA3 GLY 20 HA3 GLY 20 10.305 1.524 3.640
161 H VAL 21 H VAL 21 9.905 -0.959 2.213
162 HA VAL 21 HA VAL 21 12.019 -2.548 3.482
163 HB VAL 21 HB VAL 21 9.526 -3.179 1.876
164 HG11 VAL 21 HG11 VAL 21 11.621 -4.976 3.079
165 HG12 VAL 21 HG12 VAL 21 10.808 -5.109 1.519
166 HG13 VAL 21 HG13 VAL 21 9.941 -5.507 3.001
167 HG21 VAL 21 HG21 VAL 21 8.928 -2.298 3.999
168 HG22 VAL 21 HG22 VAL 21 10.248 -3.141 4.812
169 HG23 VAL 21 HG23 VAL 21 8.857 -4.046 4.214
170 H PHE 22 H PHE 22 11.337 -1.424 0.240
171 HA PHE 22 HA PHE 22 13.320 -3.345 -0.902
172 HB2 PHE 22 HB2 PHE 22 10.828 -2.495 -1.714
173 HB3 PHE 22 HB3 PHE 22 11.893 -1.470 -2.675
174 HD1 PHE 22 HD1 PHE 22 10.980 -4.971 -1.874
175 HD2 PHE 22 HD2 PHE 22 13.293 -2.388 -4.410
176 HE1 PHE 22 HE1 PHE 22 11.445 -6.877 -3.392
177 HE2 PHE 22 HE2 PHE 22 13.758 -4.293 -5.928
178 HZ PHE 22 HZ PHE 22 12.833 -6.537 -5.419
179 H PHE 23 H PHE 23 13.574 -0.444 0.566
180 HA PHE 23 HA PHE 23 15.784 0.433 -1.249
181 HB2 PHE 23 HB2 PHE 23 13.464 2.027 -0.138
182 HB3 PHE 23 HB3 PHE 23 14.933 2.803 -0.728
183 HD1 PHE 23 HD1 PHE 23 15.694 2.315 -3.122
184 HD2 PHE 23 HD2 PHE 23 11.797 1.276 -1.643
185 HE1 PHE 23 HE1 PHE 23 14.864 2.108 -5.451
186 HE2 PHE 23 HE2 PHE 23 10.968 1.071 -3.970
187 HZ PHE 23 HZ PHE 23 12.501 1.487 -5.874
188 H TYR 24 H TYR 24 15.695 -0.981 1.419
189 HA TYR 24 HA TYR 24 16.974 1.101 3.143
190 HB2 TYR 24 HB2 TYR 24 16.207 -0.148 4.983
191 HB3 TYR 24 HB3 TYR 24 14.911 -0.355 3.812
192 HD1 TYR 24 HD1 TYR 24 14.778 -2.473 2.459
193 HD2 TYR 24 HD2 TYR 24 17.544 -1.995 5.710
194 HE1 TYR 24 HE1 TYR 24 15.094 -4.929 2.551
195 HE2 TYR 24 HE2 TYR 24 17.860 -4.453 5.802
196 HH TYR 24 HH TYR 24 16.053 -6.573 4.873
197 H LYS 25 H LYS 25 17.672 -1.660 1.219
198 HA LYS 25 HA LYS 25 20.464 -1.698 2.277
199 HB2 LYS 25 HB2 LYS 25 18.439 -3.673 2.660
200 HB3 LYS 25 HB3 LYS 25 19.624 -4.346 1.539
201 HG2 LYS 25 HG2 LYS 25 21.413 -3.511 3.185
202 HG3 LYS 25 HG3 LYS 25 20.090 -3.286 4.331
203 HD2 LYS 25 HD2 LYS 25 20.746 -5.461 4.839
204 HD3 LYS 25 HD3 LYS 25 19.479 -5.762 3.650
205 HE2 LYS 25 HE2 LYS 25 21.145 -6.003 1.870
206 HE3 LYS 25 HE3 LYS 25 22.447 -5.591 3.004
207 HZ1 LYS 25 HZ1 LYS 25 21.829 -7.476 4.372
208 HZ2 LYS 25 HZ2 LYS 25 22.168 -8.003 2.793
209 HZ3 LYS 25 HZ3 LYS 25 20.558 -7.870 3.319
Start of MODEL 3
1 HA HIS 1 HA HIS 1 -18.804 3.559 1.912
2 HB2 HIS 1 HB2 HIS 1 -21.579 4.452 1.129
3 HB3 HIS 1 HB3 HIS 1 -21.313 3.632 2.667
4 HD1 HIS 1 HD1 HIS 1 -19.478 4.792 4.287
5 HD2 HIS 1 HD2 HIS 1 -20.879 7.146 1.143
6 HE1 HIS 1 HE1 HIS 1 -18.850 7.182 4.845
7 H ALA 2 H ALA 2 -18.120 1.469 0.924
8 HA ALA 2 HA ALA 2 -20.291 -0.575 1.107
9 HB1 ALA 2 HB1 ALA 2 -20.051 0.046 -1.249
10 HB2 ALA 2 HB2 ALA 2 -19.400 -1.576 -1.005
11 HB3 ALA 2 HB3 ALA 2 -18.306 -0.201 -1.160
12 H TRP 3 H TRP 3 -18.095 0.134 2.932
13 HA TRP 3 HA TRP 3 -16.353 -0.876 4.158
14 HB2 TRP 3 HB2 TRP 3 -18.302 -2.909 3.270
15 HB3 TRP 3 HB3 TRP 3 -16.745 -3.575 3.758
16 HD1 TRP 3 HD1 TRP 3 -19.770 -1.703 5.104
17 HE1 TRP 3 HE1 TRP 3 -19.667 -1.682 7.681
18 HE3 TRP 3 HE3 TRP 3 -15.102 -3.651 5.819
19 HZ2 TRP 3 HZ2 TRP 3 -17.847 -2.397 9.768
20 HZ3 TRP 3 HZ3 TRP 3 -14.210 -3.970 8.109
21 HH2 TRP 3 HH2 TRP 3 -15.575 -3.346 10.082
22 H TYR 4 H TYR 4 -15.238 0.072 1.894
23 HA TYR 4 HA TYR 4 -13.521 -2.184 0.911
24 HB2 TYR 4 HB2 TYR 4 -13.607 -1.235 -1.278
25 HB3 TYR 4 HB3 TYR 4 -15.262 -1.186 -0.685
26 HD1 TYR 4 HD1 TYR 4 -16.181 0.990 0.238
27 HD2 TYR 4 HD2 TYR 4 -12.419 0.757 -1.821
28 HE1 TYR 4 HE1 TYR 4 -16.233 3.441 -0.135
29 HE2 TYR 4 HE2 TYR 4 -12.470 3.206 -2.192
30 HH TYR 4 HH TYR 4 -14.222 5.009 -2.330
31 H SER 5 H SER 5 -13.174 -0.096 3.143
32 HA SER 5 HA SER 5 -11.149 1.784 2.305
33 HB2 SER 5 HB2 SER 5 -12.136 0.639 4.910
34 HB3 SER 5 HB3 SER 5 -10.750 1.726 4.883
35 HG SER 5 HG SER 5 -12.287 3.182 4.927
36 H HIS 6 H HIS 6 -11.042 -1.608 3.081
37 HA HIS 6 HA HIS 6 -8.234 -1.717 3.828
38 HB2 HIS 6 HB2 HIS 6 -10.075 -3.369 4.402
39 HB3 HIS 6 HB3 HIS 6 -10.020 -3.904 2.722
40 HD1 HIS 6 HD1 HIS 6 -7.674 -3.540 5.707
41 HD2 HIS 6 HD2 HIS 6 -8.053 -5.795 2.221
42 HE1 HIS 6 HE1 HIS 6 -5.828 -5.273 5.770
43 H TYR 7 H TYR 7 -9.992 -1.746 0.797
44 HA TYR 7 HA TYR 7 -7.976 -2.930 -0.869
45 HB2 TYR 7 HB2 TYR 7 -10.306 -1.052 -1.278
46 HB3 TYR 7 HB3 TYR 7 -9.273 -1.511 -2.631
47 HD1 TYR 7 HD1 TYR 7 -8.888 -4.036 -3.039
48 HD2 TYR 7 HD2 TYR 7 -12.038 -2.483 -0.567
49 HE1 TYR 7 HE1 TYR 7 -10.113 -6.183 -3.249
50 HE2 TYR 7 HE2 TYR 7 -13.262 -4.629 -0.775
51 HH TYR 7 HH TYR 7 -12.462 -7.158 -1.277
52 H VAL 8 H VAL 8 -8.725 0.491 -0.150
53 HA VAL 8 HA VAL 8 -6.479 1.551 -1.622
54 HB VAL 8 HB VAL 8 -8.552 2.799 -0.948
55 HG11 VAL 8 HG11 VAL 8 -8.491 3.747 1.426
56 HG12 VAL 8 HG12 VAL 8 -7.314 2.488 1.795
57 HG13 VAL 8 HG13 VAL 8 -8.943 2.050 1.282
58 HG21 VAL 8 HG21 VAL 8 -5.989 4.010 0.132
59 HG22 VAL 8 HG22 VAL 8 -7.411 4.891 -0.424
60 HG23 VAL 8 HG23 VAL 8 -6.439 3.973 -1.573
61 H LEU 9 H LEU 9 -6.870 0.220 1.591
62 HA LEU 9 HA LEU 9 -4.352 1.223 2.675
63 HB2 LEU 9 HB2 LEU 9 -6.645 0.209 3.710
64 HB3 LEU 9 HB3 LEU 9 -5.664 -1.255 3.704
65 HG LEU 9 HG LEU 9 -5.444 -0.058 5.847
66 HD11 LEU 9 HD11 LEU 9 -3.478 -1.259 4.649
67 HD12 LEU 9 HD12 LEU 9 -3.101 -0.205 6.011
68 HD13 LEU 9 HD13 LEU 9 -2.857 0.366 4.361
69 HD21 LEU 9 HD21 LEU 9 -4.662 2.172 6.011
70 HD22 LEU 9 HD22 LEU 9 -5.836 2.224 4.696
71 HD23 LEU 9 HD23 LEU 9 -4.110 2.191 4.336
72 H LYS 10 H LYS 10 -5.492 -1.825 1.187
73 HA LYS 10 HA LYS 10 -2.988 -3.251 1.466
74 HB2 LYS 10 HB2 LYS 10 -5.334 -4.164 1.070
75 HB3 LYS 10 HB3 LYS 10 -5.176 -3.626 -0.604
76 HG2 LYS 10 HG2 LYS 10 -3.171 -5.030 -0.878
77 HG3 LYS 10 HG3 LYS 10 -3.304 -5.557 0.800
78 HD2 LYS 10 HD2 LYS 10 -5.815 -6.118 -0.094
79 HD3 LYS 10 HD3 LYS 10 -4.883 -6.379 -1.568
80 HE2 LYS 10 HE2 LYS 10 -3.853 -7.549 1.002
81 HE3 LYS 10 HE3 LYS 10 -5.183 -8.365 0.156
82 HZ1 LYS 10 HZ1 LYS 10 -3.904 -8.403 -1.855
83 HZ2 LYS 10 HZ2 LYS 10 -2.951 -9.074 -0.619
84 HZ3 LYS 10 HZ3 LYS 10 -2.659 -7.489 -1.152
85 H PHE 11 H PHE 11 -4.434 -1.287 -1.147
86 HA PHE 11 HA PHE 11 -2.336 -1.734 -3.080
87 HB2 PHE 11 HB2 PHE 11 -4.645 -0.903 -3.548
88 HB3 PHE 11 HB3 PHE 11 -4.253 0.598 -2.710
89 HD1 PHE 11 HD1 PHE 11 -3.311 -1.545 -5.613
90 HD2 PHE 11 HD2 PHE 11 -3.050 2.340 -3.796
91 HE1 PHE 11 HE1 PHE 11 -2.318 -0.637 -7.695
92 HE2 PHE 11 HE2 PHE 11 -2.056 3.246 -5.879
93 HZ PHE 11 HZ PHE 11 -1.690 1.758 -7.829
94 H PHE 12 H PHE 12 -2.890 0.784 -0.605
95 HA PHE 12 HA PHE 12 -0.615 2.423 -1.284
96 HB2 PHE 12 HB2 PHE 12 -2.606 3.107 0.058
97 HB3 PHE 12 HB3 PHE 12 -2.076 2.035 1.353
98 HD1 PHE 12 HD1 PHE 12 -0.951 4.936 -0.730
99 HD2 PHE 12 HD2 PHE 12 -0.537 2.787 2.967
100 HE1 PHE 12 HE1 PHE 12 0.537 6.719 0.141
101 HE2 PHE 12 HE2 PHE 12 0.950 4.571 3.837
102 HZ PHE 12 HZ PHE 12 1.488 6.536 2.424
103 H LEU 13 H LEU 13 -1.080 -0.234 1.076
104 HA LEU 13 HA LEU 13 1.559 -0.105 2.225
105 HB2 LEU 13 HB2 LEU 13 -0.615 -1.274 3.016
106 HB3 LEU 13 HB3 LEU 13 -0.142 -2.588 1.939
107 HG LEU 13 HG LEU 13 2.161 -2.446 3.150
108 HD11 LEU 13 HD11 LEU 13 1.810 -1.722 5.573
109 HD12 LEU 13 HD12 LEU 13 0.326 -0.937 5.027
110 HD13 LEU 13 HD13 LEU 13 1.886 -0.416 4.390
111 HD21 LEU 13 HD21 LEU 13 -0.322 -3.456 4.576
112 HD22 LEU 13 HD22 LEU 13 1.329 -3.963 4.932
113 HD23 LEU 13 HD23 LEU 13 0.607 -4.341 3.368
114 H LEU 14 H LEU 14 0.300 -1.584 -0.720
115 HA LEU 14 HA LEU 14 2.550 -3.358 -1.182
116 HB2 LEU 14 HB2 LEU 14 0.169 -3.479 -2.108
117 HB3 LEU 14 HB3 LEU 14 0.626 -2.171 -3.198
118 HG LEU 14 HG LEU 14 2.566 -4.383 -3.146
119 HD11 LEU 14 HD11 LEU 14 -0.176 -4.874 -4.345
120 HD12 LEU 14 HD12 LEU 14 0.384 -5.600 -2.838
121 HD13 LEU 14 HD13 LEU 14 1.201 -5.977 -4.354
122 HD21 LEU 14 HD21 LEU 14 1.002 -3.193 -5.453
123 HD22 LEU 14 HD22 LEU 14 2.577 -3.985 -5.511
124 HD23 LEU 14 HD23 LEU 14 2.416 -2.402 -4.753
125 H VAL 15 H VAL 15 1.805 -0.014 -2.011
126 HA VAL 15 HA VAL 15 4.270 0.203 -3.670
127 HB VAL 15 HB VAL 15 1.871 1.978 -3.120
128 HG11 VAL 15 HG11 VAL 15 3.451 3.631 -3.491
129 HG12 VAL 15 HG12 VAL 15 3.025 3.245 -5.158
130 HG13 VAL 15 HG13 VAL 15 4.490 2.571 -4.444
131 HG21 VAL 15 HG21 VAL 15 1.427 0.129 -4.637
132 HG22 VAL 15 HG22 VAL 15 2.886 0.487 -5.561
133 HG23 VAL 15 HG23 VAL 15 1.529 1.614 -5.584
134 H PHE 16 H PHE 16 2.711 2.113 -1.048
135 HA PHE 16 HA PHE 16 5.156 3.497 -0.338
136 HB2 PHE 16 HB2 PHE 16 2.662 4.128 -0.015
137 HB3 PHE 16 HB3 PHE 16 2.728 3.098 1.416
138 HD1 PHE 16 HD1 PHE 16 4.198 6.109 -0.197
139 HD2 PHE 16 HD2 PHE 16 3.845 3.804 3.411
140 HE1 PHE 16 HE1 PHE 16 5.252 7.952 1.085
141 HE2 PHE 16 HE2 PHE 16 4.900 5.647 4.691
142 HZ PHE 16 HZ PHE 16 5.603 7.721 3.528
143 H GLY 17 H GLY 17 3.579 0.530 0.833
144 HA2 GLY 17 HA2 GLY 17 5.100 0.249 3.254
145 HA3 GLY 17 HA3 GLY 17 4.292 -1.068 2.404
146 H GLU 18 H GLU 18 5.601 -1.111 -0.028
147 HA GLU 18 HA GLU 18 8.014 -2.524 0.519
148 HB2 GLU 18 HB2 GLU 18 6.648 -2.744 -1.530
149 HB3 GLU 18 HB3 GLU 18 7.059 -1.092 -1.988
150 HG2 GLU 18 HG2 GLU 18 9.341 -2.925 -1.424
151 HG3 GLU 18 HG3 GLU 18 8.428 -3.229 -2.901
152 H ASN 19 H ASN 19 7.499 0.830 -0.563
153 HA ASN 19 HA ASN 19 10.227 1.623 -0.778
154 HB2 ASN 19 HB2 ASN 19 7.574 2.938 -0.316
155 HB3 ASN 19 HB3 ASN 19 9.030 3.912 -0.101
156 HD21 ASN 19 HD21 ASN 19 7.273 1.918 -2.504
157 HD22 ASN 19 HD22 ASN 19 8.022 2.614 -3.859
158 H GLY 20 H GLY 20 8.009 1.589 1.991
159 HA2 GLY 20 HA2 GLY 20 9.849 2.797 3.864
160 HA3 GLY 20 HA3 GLY 20 8.397 1.888 4.292
161 H VAL 21 H VAL 21 8.926 -0.598 3.160
162 HA VAL 21 HA VAL 21 10.658 -1.829 5.083
163 HB VAL 21 HB VAL 21 9.496 -2.696 2.418
164 HG11 VAL 21 HG11 VAL 21 11.490 -4.055 2.861
165 HG12 VAL 21 HG12 VAL 21 10.036 -5.018 3.126
166 HG13 VAL 21 HG13 VAL 21 10.930 -4.373 4.503
167 HG21 VAL 21 HG21 VAL 21 8.754 -3.624 5.198
168 HG22 VAL 21 HG22 VAL 21 7.804 -3.738 3.716
169 HG23 VAL 21 HG23 VAL 21 8.043 -2.172 4.492
170 H PHE 22 H PHE 22 11.239 -0.604 1.826
171 HA PHE 22 HA PHE 22 13.923 -1.775 1.631
172 HB2 PHE 22 HB2 PHE 22 12.088 -0.074 0.000
173 HB3 PHE 22 HB3 PHE 22 13.810 0.002 -0.376
174 HD1 PHE 22 HD1 PHE 22 11.300 -2.654 0.531
175 HD2 PHE 22 HD2 PHE 22 14.537 -1.458 -2.029
176 HE1 PHE 22 HE1 PHE 22 11.132 -4.806 -0.685
177 HE2 PHE 22 HE2 PHE 22 14.367 -3.612 -3.245
178 HZ PHE 22 HZ PHE 22 12.666 -5.284 -2.574
179 H PHE 23 H PHE 23 12.625 0.990 3.171
180 HA PHE 23 HA PHE 23 15.304 2.343 3.141
181 HB2 PHE 23 HB2 PHE 23 12.462 3.264 3.050
182 HB3 PHE 23 HB3 PHE 23 13.611 4.283 3.915
183 HD1 PHE 23 HD1 PHE 23 12.903 2.667 0.640
184 HD2 PHE 23 HD2 PHE 23 15.252 5.573 2.755
185 HE1 PHE 23 HE1 PHE 23 13.746 3.550 -1.516
186 HE2 PHE 23 HE2 PHE 23 16.097 6.456 0.597
187 HZ PHE 23 HZ PHE 23 15.344 5.445 -1.537
188 H TYR 24 H TYR 24 14.092 0.170 5.005
189 HA TYR 24 HA TYR 24 14.837 1.541 7.544
190 HB2 TYR 24 HB2 TYR 24 12.189 0.426 6.737
191 HB3 TYR 24 HB3 TYR 24 12.703 0.133 8.397
192 HD1 TYR 24 HD1 TYR 24 13.428 2.123 9.821
193 HD2 TYR 24 HD2 TYR 24 11.382 2.558 6.069
194 HE1 TYR 24 HE1 TYR 24 12.813 4.448 10.425
195 HE2 TYR 24 HE2 TYR 24 10.767 4.881 6.674
196 HH TYR 24 HH TYR 24 10.571 6.082 9.387
197 H LYS 25 H LYS 25 16.677 -0.031 6.665
198 HA LYS 25 HA LYS 25 16.192 -2.799 7.723
199 HB2 LYS 25 HB2 LYS 25 17.998 -1.650 5.579
200 HB3 LYS 25 HB3 LYS 25 18.207 -3.287 6.204
201 HG2 LYS 25 HG2 LYS 25 15.900 -3.846 5.560
202 HG3 LYS 25 HG3 LYS 25 15.658 -2.204 4.965
203 HD2 LYS 25 HD2 LYS 25 18.014 -3.077 3.714
204 HD3 LYS 25 HD3 LYS 25 16.925 -4.463 3.647
205 HE2 LYS 25 HE2 LYS 25 15.999 -3.433 1.834
206 HE3 LYS 25 HE3 LYS 25 15.260 -2.322 3.005
207 HZ1 LYS 25 HZ1 LYS 25 17.780 -1.996 1.491
208 HZ2 LYS 25 HZ2 LYS 25 17.527 -1.152 2.945
209 HZ3 LYS 25 HZ3 LYS 25 16.477 -0.915 1.630
Start of MODEL 4
1 HA HIS 1 HA HIS 1 -18.941 2.740 0.896
2 HB2 HIS 1 HB2 HIS 1 -17.210 2.460 2.800
3 HB3 HIS 1 HB3 HIS 1 -16.497 1.198 1.796
4 HD1 HIS 1 HD1 HIS 1 -14.419 2.984 1.778
5 HD2 HIS 1 HD2 HIS 1 -17.816 4.057 -0.392
6 HE1 HIS 1 HE1 HIS 1 -13.704 4.820 0.183
7 H ALA 2 H ALA 2 -20.309 0.670 -0.171
8 HA ALA 2 HA ALA 2 -20.421 -0.851 -1.971
9 HB1 ALA 2 HB1 ALA 2 -19.278 -0.038 -3.860
10 HB2 ALA 2 HB2 ALA 2 -17.881 0.468 -2.910
11 HB3 ALA 2 HB3 ALA 2 -19.385 1.384 -2.822
12 H TRP 3 H TRP 3 -18.724 -1.645 0.412
13 HA TRP 3 HA TRP 3 -17.215 -3.352 1.022
14 HB2 TRP 3 HB2 TRP 3 -19.099 -4.368 -0.508
15 HB3 TRP 3 HB3 TRP 3 -17.796 -4.541 -1.684
16 HD1 TRP 3 HD1 TRP 3 -18.600 -5.521 1.967
17 HE1 TRP 3 HE1 TRP 3 -17.380 -7.730 2.492
18 HE3 TRP 3 HE3 TRP 3 -16.029 -6.169 -2.398
19 HZ2 TRP 3 HZ2 TRP 3 -15.555 -9.534 1.227
20 HZ3 TRP 3 HZ3 TRP 3 -14.558 -8.138 -2.711
21 HH2 TRP 3 HH2 TRP 3 -14.319 -9.821 -0.906
22 H TYR 4 H TYR 4 -16.053 -1.030 -0.431
23 HA TYR 4 HA TYR 4 -13.614 -2.408 -1.476
24 HB2 TYR 4 HB2 TYR 4 -15.450 -1.390 -3.147
25 HB3 TYR 4 HB3 TYR 4 -14.564 0.096 -2.804
26 HD1 TYR 4 HD1 TYR 4 -12.202 0.334 -3.421
27 HD2 TYR 4 HD2 TYR 4 -14.388 -3.256 -4.308
28 HE1 TYR 4 HE1 TYR 4 -10.400 -0.381 -4.966
29 HE2 TYR 4 HE2 TYR 4 -12.585 -3.972 -5.853
30 HH TYR 4 HH TYR 4 -9.793 -3.218 -5.888
31 H SER 5 H SER 5 -13.636 -1.478 1.086
32 HA SER 5 HA SER 5 -12.354 1.227 0.992
33 HB2 SER 5 HB2 SER 5 -14.387 0.130 2.570
34 HB3 SER 5 HB3 SER 5 -12.974 0.139 3.624
35 HG SER 5 HG SER 5 -12.950 2.264 3.583
36 H HIS 6 H HIS 6 -11.749 -2.136 1.584
37 HA HIS 6 HA HIS 6 -9.297 -1.657 3.153
38 HB2 HIS 6 HB2 HIS 6 -10.851 -3.563 3.569
39 HB3 HIS 6 HB3 HIS 6 -10.487 -4.181 1.959
40 HD1 HIS 6 HD1 HIS 6 -8.566 -5.773 1.833
41 HD2 HIS 6 HD2 HIS 6 -8.322 -3.339 5.210
42 HE1 HIS 6 HE1 HIS 6 -6.552 -6.567 3.145
43 H TYR 7 H TYR 7 -10.215 -2.291 -0.174
44 HA TYR 7 HA TYR 7 -7.696 -3.205 -1.183
45 HB2 TYR 7 HB2 TYR 7 -9.960 -1.627 -2.450
46 HB3 TYR 7 HB3 TYR 7 -8.659 -2.391 -3.362
47 HD1 TYR 7 HD1 TYR 7 -8.278 -4.942 -2.951
48 HD2 TYR 7 HD2 TYR 7 -11.884 -2.852 -1.914
49 HE1 TYR 7 HE1 TYR 7 -9.512 -7.093 -2.902
50 HE2 TYR 7 HE2 TYR 7 -13.118 -5.003 -1.864
51 HH TYR 7 HH TYR 7 -12.084 -7.700 -1.444
52 H VAL 8 H VAL 8 -9.076 0.072 -0.951
53 HA VAL 8 HA VAL 8 -6.805 1.446 -2.060
54 HB VAL 8 HB VAL 8 -9.174 2.297 -1.762
55 HG11 VAL 8 HG11 VAL 8 -9.291 1.455 0.650
56 HG12 VAL 8 HG12 VAL 8 -9.914 3.080 0.369
57 HG13 VAL 8 HG13 VAL 8 -8.317 2.859 1.086
58 HG21 VAL 8 HG21 VAL 8 -6.883 3.933 -0.631
59 HG22 VAL 8 HG22 VAL 8 -8.447 4.612 -1.083
60 HG23 VAL 8 HG23 VAL 8 -7.418 3.876 -2.312
61 H LEU 9 H LEU 9 -7.508 0.158 1.112
62 HA LEU 9 HA LEU 9 -5.352 1.626 2.471
63 HB2 LEU 9 HB2 LEU 9 -7.700 0.576 3.265
64 HB3 LEU 9 HB3 LEU 9 -6.663 -0.809 3.604
65 HG LEU 9 HG LEU 9 -5.134 1.138 4.670
66 HD11 LEU 9 HD11 LEU 9 -6.639 2.965 4.187
67 HD12 LEU 9 HD12 LEU 9 -6.705 2.668 5.924
68 HD13 LEU 9 HD13 LEU 9 -8.005 2.090 4.881
69 HD21 LEU 9 HD21 LEU 9 -7.490 -0.283 5.949
70 HD22 LEU 9 HD22 LEU 9 -6.239 0.557 6.865
71 HD23 LEU 9 HD23 LEU 9 -5.820 -0.846 5.883
72 H LYS 10 H LYS 10 -5.929 -1.665 1.201
73 HA LYS 10 HA LYS 10 -3.414 -2.756 2.182
74 HB2 LYS 10 HB2 LYS 10 -5.756 -3.777 1.290
75 HB3 LYS 10 HB3 LYS 10 -4.803 -3.917 -0.187
76 HG2 LYS 10 HG2 LYS 10 -3.535 -4.810 2.369
77 HG3 LYS 10 HG3 LYS 10 -4.788 -5.839 1.674
78 HD2 LYS 10 HD2 LYS 10 -3.569 -6.205 -0.305
79 HD3 LYS 10 HD3 LYS 10 -2.543 -4.793 -0.045
80 HE2 LYS 10 HE2 LYS 10 -1.189 -5.889 1.506
81 HE3 LYS 10 HE3 LYS 10 -2.471 -7.022 1.976
82 HZ1 LYS 10 HZ1 LYS 10 -1.053 -6.957 -0.641
83 HZ2 LYS 10 HZ2 LYS 10 -2.355 -7.984 -0.268
84 HZ3 LYS 10 HZ3 LYS 10 -0.879 -8.142 0.560
85 H PHE 11 H PHE 11 -4.516 -1.435 -0.958
86 HA PHE 11 HA PHE 11 -2.150 -2.012 -2.461
87 HB2 PHE 11 HB2 PHE 11 -4.275 -1.367 -3.470
88 HB3 PHE 11 HB3 PHE 11 -4.231 0.193 -2.649
89 HD1 PHE 11 HD1 PHE 11 -2.116 -1.910 -4.936
90 HD2 PHE 11 HD2 PHE 11 -3.393 2.034 -3.810
91 HE1 PHE 11 HE1 PHE 11 -0.819 -0.953 -6.819
92 HE2 PHE 11 HE2 PHE 11 -2.096 2.992 -5.696
93 HZ PHE 11 HZ PHE 11 -0.809 1.497 -7.200
94 H PHE 12 H PHE 12 -3.065 0.881 -0.555
95 HA PHE 12 HA PHE 12 -0.730 2.440 -1.153
96 HB2 PHE 12 HB2 PHE 12 -2.923 2.378 0.873
97 HB3 PHE 12 HB3 PHE 12 -1.502 3.344 1.267
98 HD1 PHE 12 HD1 PHE 12 -3.702 2.669 -1.710
99 HD2 PHE 12 HD2 PHE 12 -1.527 5.570 0.595
100 HE1 PHE 12 HE1 PHE 12 -4.497 4.465 -3.221
101 HE2 PHE 12 HE2 PHE 12 -2.324 7.367 -0.917
102 HZ PHE 12 HZ PHE 12 -3.808 6.815 -2.826
103 H LEU 13 H LEU 13 -1.448 0.146 1.497
104 HA LEU 13 HA LEU 13 0.988 0.508 2.966
105 HB2 LEU 13 HB2 LEU 13 -1.277 -0.714 3.484
106 HB3 LEU 13 HB3 LEU 13 -0.490 -2.108 2.743
107 HG LEU 13 HG LEU 13 1.501 -1.404 4.366
108 HD11 LEU 13 HD11 LEU 13 0.286 0.612 5.185
109 HD12 LEU 13 HD12 LEU 13 0.660 -0.519 6.486
110 HD13 LEU 13 HD13 LEU 13 -0.976 -0.439 5.830
111 HD21 LEU 13 HD21 LEU 13 0.404 -3.579 4.419
112 HD22 LEU 13 HD22 LEU 13 -1.015 -2.882 5.201
113 HD23 LEU 13 HD23 LEU 13 0.519 -2.962 6.067
114 H LEU 14 H LEU 14 0.163 -1.545 0.183
115 HA LEU 14 HA LEU 14 2.589 -3.120 0.208
116 HB2 LEU 14 HB2 LEU 14 0.261 -3.470 -0.933
117 HB3 LEU 14 HB3 LEU 14 0.931 -2.476 -2.227
118 HG LEU 14 HG LEU 14 2.929 -4.064 -2.239
119 HD11 LEU 14 HD11 LEU 14 2.454 -6.334 -1.307
120 HD12 LEU 14 HD12 LEU 14 0.997 -5.686 -0.552
121 HD13 LEU 14 HD13 LEU 14 2.584 -5.098 -0.056
122 HD21 LEU 14 HD21 LEU 14 0.142 -5.008 -2.967
123 HD22 LEU 14 HD22 LEU 14 1.605 -5.859 -3.462
124 HD23 LEU 14 HD23 LEU 14 1.316 -4.209 -4.015
125 H VAL 15 H VAL 15 1.562 -0.263 -1.664
126 HA VAL 15 HA VAL 15 4.040 0.038 -3.122
127 HB VAL 15 HB VAL 15 1.791 1.959 -2.412
128 HG11 VAL 15 HG11 VAL 15 2.709 3.072 -4.600
129 HG12 VAL 15 HG12 VAL 15 4.202 2.227 -4.195
130 HG13 VAL 15 HG13 VAL 15 3.521 3.400 -3.068
131 HG21 VAL 15 HG21 VAL 15 2.204 0.826 -5.143
132 HG22 VAL 15 HG22 VAL 15 0.702 1.208 -4.301
133 HG23 VAL 15 HG23 VAL 15 1.581 -0.270 -3.908
134 H PHE 16 H PHE 16 2.734 1.660 -0.200
135 HA PHE 16 HA PHE 16 5.019 3.340 0.283
136 HB2 PHE 16 HB2 PHE 16 2.577 3.334 1.221
137 HB3 PHE 16 HB3 PHE 16 3.213 2.209 2.420
138 HD1 PHE 16 HD1 PHE 16 3.515 5.637 1.036
139 HD2 PHE 16 HD2 PHE 16 4.700 2.941 4.165
140 HE1 PHE 16 HE1 PHE 16 4.467 7.538 2.313
141 HE2 PHE 16 HE2 PHE 16 5.651 4.842 5.442
142 HZ PHE 16 HZ PHE 16 5.534 7.141 4.517
143 H GLY 17 H GLY 17 4.178 0.037 1.334
144 HA2 GLY 17 HA2 GLY 17 6.335 -0.317 3.182
145 HA3 GLY 17 HA3 GLY 17 5.471 -1.623 2.368
146 H GLU 18 H GLU 18 6.070 -0.974 -0.321
147 HA GLU 18 HA GLU 18 8.635 -2.180 -0.675
148 HB2 GLU 18 HB2 GLU 18 6.527 -1.870 -2.220
149 HB3 GLU 18 HB3 GLU 18 7.332 -0.380 -2.708
150 HG2 GLU 18 HG2 GLU 18 8.275 -1.798 -4.254
151 HG3 GLU 18 HG3 GLU 18 9.418 -2.053 -2.938
152 H ASN 19 H ASN 19 7.638 1.210 -0.568
153 HA ASN 19 HA ASN 19 10.144 2.330 -1.469
154 HB2 ASN 19 HB2 ASN 19 7.731 3.327 0.045
155 HB3 ASN 19 HB3 ASN 19 9.097 4.387 -0.299
156 HD21 ASN 19 HD21 ASN 19 6.158 4.037 -1.450
157 HD22 ASN 19 HD22 ASN 19 6.415 4.135 -3.125
158 H GLY 20 H GLY 20 9.154 0.980 1.574
159 HA2 GLY 20 HA2 GLY 20 11.503 2.263 2.910
160 HA3 GLY 20 HA3 GLY 20 10.065 1.722 3.767
161 H VAL 21 H VAL 21 9.974 -0.847 2.162
162 HA VAL 21 HA VAL 21 12.063 -2.257 3.761
163 HB VAL 21 HB VAL 21 9.620 -3.304 2.295
164 HG11 VAL 21 HG11 VAL 21 9.921 -5.304 3.598
165 HG12 VAL 21 HG12 VAL 21 11.191 -4.553 4.566
166 HG13 VAL 21 HG13 VAL 21 11.483 -4.933 2.868
167 HG21 VAL 21 HG21 VAL 21 8.683 -3.404 4.672
168 HG22 VAL 21 HG22 VAL 21 8.832 -1.788 3.981
169 HG23 VAL 21 HG23 VAL 21 10.025 -2.361 5.147
170 H PHE 22 H PHE 22 10.759 -2.151 0.441
171 HA PHE 22 HA PHE 22 12.581 -4.056 -0.687
172 HB2 PHE 22 HB2 PHE 22 10.362 -2.903 -1.534
173 HB3 PHE 22 HB3 PHE 22 11.480 -1.729 -2.228
174 HD1 PHE 22 HD1 PHE 22 10.740 -5.389 -2.067
175 HD2 PHE 22 HD2 PHE 22 12.634 -2.199 -4.232
176 HE1 PHE 22 HE1 PHE 22 11.205 -6.940 -3.945
177 HE2 PHE 22 HE2 PHE 22 13.100 -3.750 -6.109
178 HZ PHE 22 HZ PHE 22 12.385 -6.120 -5.966
179 H PHE 23 H PHE 23 12.943 -0.655 0.090
180 HA PHE 23 HA PHE 23 15.569 -0.588 -1.340
181 HB2 PHE 23 HB2 PHE 23 13.723 1.581 -0.292
182 HB3 PHE 23 HB3 PHE 23 15.273 1.894 -1.073
183 HD1 PHE 23 HD1 PHE 23 15.622 0.736 -3.419
184 HD2 PHE 23 HD2 PHE 23 11.795 1.445 -1.605
185 HE1 PHE 23 HE1 PHE 23 14.532 0.544 -5.639
186 HE2 PHE 23 HE2 PHE 23 10.705 1.254 -3.823
187 HZ PHE 23 HZ PHE 23 12.075 0.803 -5.842
188 H TYR 24 H TYR 24 14.519 1.331 1.456
189 HA TYR 24 HA TYR 24 15.601 1.747 3.516
190 HB2 TYR 24 HB2 TYR 24 14.661 -0.720 3.447
191 HB3 TYR 24 HB3 TYR 24 16.365 -1.161 3.472
192 HD1 TYR 24 HD1 TYR 24 13.915 1.073 5.229
193 HD2 TYR 24 HD2 TYR 24 17.477 -1.310 5.527
194 HE1 TYR 24 HE1 TYR 24 13.981 1.478 7.674
195 HE2 TYR 24 HE2 TYR 24 17.542 -0.905 7.973
196 HH TYR 24 HH TYR 24 15.282 -0.147 9.771
197 H LYS 25 H LYS 25 17.262 2.422 1.370
198 HA LYS 25 HA LYS 25 19.955 1.789 2.490
199 HB2 LYS 25 HB2 LYS 25 18.792 0.949 -0.079
200 HB3 LYS 25 HB3 LYS 25 20.353 1.750 -0.249
201 HG2 LYS 25 HG2 LYS 25 21.101 0.192 1.704
202 HG3 LYS 25 HG3 LYS 25 19.681 -0.761 1.271
203 HD2 LYS 25 HD2 LYS 25 20.611 -1.503 -0.668
204 HD3 LYS 25 HD3 LYS 25 21.347 0.059 -1.025
205 HE2 LYS 25 HE2 LYS 25 22.554 -1.240 1.319
206 HE3 LYS 25 HE3 LYS 25 22.734 -2.187 -0.169
207 HZ1 LYS 25 HZ1 LYS 25 23.287 0.729 0.028
208 HZ2 LYS 25 HZ2 LYS 25 23.583 -0.278 -1.309
209 HZ3 LYS 25 HZ3 LYS 25 24.483 -0.469 0.119
Start of MODEL 5
1 HA HIS 1 HA HIS 1 -19.744 5.631 6.755
2 HB2 HIS 1 HB2 HIS 1 -18.887 4.983 9.487
3 HB3 HIS 1 HB3 HIS 1 -17.949 4.130 8.262
4 HD1 HIS 1 HD1 HIS 1 -18.183 7.338 9.933
5 HD2 HIS 1 HD2 HIS 1 -16.925 6.045 6.174
6 HE1 HIS 1 HE1 HIS 1 -16.789 9.215 8.960
7 H ALA 2 H ALA 2 -18.462 3.753 5.718
8 HA ALA 2 HA ALA 2 -19.971 1.167 5.954
9 HB1 ALA 2 HB1 ALA 2 -19.483 1.143 3.380
10 HB2 ALA 2 HB2 ALA 2 -19.234 2.877 3.584
11 HB3 ALA 2 HB3 ALA 2 -20.793 2.157 3.984
12 H TRP 3 H TRP 3 -18.639 -0.629 4.754
13 HA TRP 3 HA TRP 3 -15.819 -0.437 5.708
14 HB2 TRP 3 HB2 TRP 3 -17.877 -2.352 5.847
15 HB3 TRP 3 HB3 TRP 3 -16.720 -3.019 4.698
16 HD1 TRP 3 HD1 TRP 3 -16.638 -1.358 8.201
17 HE1 TRP 3 HE1 TRP 3 -14.807 -2.525 9.594
18 HE3 TRP 3 HE3 TRP 3 -14.820 -4.619 4.714
19 HZ2 TRP 3 HZ2 TRP 3 -12.834 -4.571 9.270
20 HZ3 TRP 3 HZ3 TRP 3 -12.967 -6.164 5.284
21 HH2 TRP 3 HH2 TRP 3 -11.973 -6.144 7.555
22 H TYR 4 H TYR 4 -15.265 0.938 3.770
23 HA TYR 4 HA TYR 4 -14.626 -0.798 1.417
24 HB2 TYR 4 HB2 TYR 4 -15.409 1.005 -0.069
25 HB3 TYR 4 HB3 TYR 4 -16.708 0.490 1.002
26 HD1 TYR 4 HD1 TYR 4 -17.400 1.901 2.914
27 HD2 TYR 4 HD2 TYR 4 -14.406 3.207 0.126
28 HE1 TYR 4 HE1 TYR 4 -17.639 4.224 3.745
29 HE2 TYR 4 HE2 TYR 4 -14.645 5.531 0.959
30 HH TYR 4 HH TYR 4 -15.527 6.523 3.410
31 H SER 5 H SER 5 -13.123 0.597 3.778
32 HA SER 5 HA SER 5 -11.217 2.238 2.152
33 HB2 SER 5 HB2 SER 5 -11.679 1.992 5.141
34 HB3 SER 5 HB3 SER 5 -10.534 3.093 4.381
35 HG SER 5 HG SER 5 -12.202 4.382 4.322
36 H HIS 6 H HIS 6 -11.385 -0.854 2.467
37 HA HIS 6 HA HIS 6 -8.767 -1.385 3.773
38 HB2 HIS 6 HB2 HIS 6 -11.201 -2.932 2.984
39 HB3 HIS 6 HB3 HIS 6 -9.671 -3.806 3.061
40 HD1 HIS 6 HD1 HIS 6 -8.473 -3.929 5.390
41 HD2 HIS 6 HD2 HIS 6 -12.217 -2.096 5.491
42 HE1 HIS 6 HE1 HIS 6 -9.121 -3.759 7.832
43 H TYR 7 H TYR 7 -10.390 -1.676 0.625
44 HA TYR 7 HA TYR 7 -8.229 -2.944 -0.779
45 HB2 TYR 7 HB2 TYR 7 -10.686 -1.369 -1.432
46 HB3 TYR 7 HB3 TYR 7 -9.493 -1.573 -2.715
47 HD1 TYR 7 HD1 TYR 7 -8.598 -4.011 -3.084
48 HD2 TYR 7 HD2 TYR 7 -12.251 -3.066 -1.032
49 HE1 TYR 7 HE1 TYR 7 -9.418 -6.317 -3.483
50 HE2 TYR 7 HE2 TYR 7 -13.072 -5.371 -1.431
51 HH TYR 7 HH TYR 7 -12.226 -7.283 -3.541
52 H VAL 8 H VAL 8 -9.079 0.476 -0.295
53 HA VAL 8 HA VAL 8 -6.921 1.573 -1.853
54 HB VAL 8 HB VAL 8 -9.034 2.730 -1.101
55 HG11 VAL 8 HG11 VAL 8 -7.620 3.085 1.549
56 HG12 VAL 8 HG12 VAL 8 -8.811 1.812 1.286
57 HG13 VAL 8 HG13 VAL 8 -9.283 3.505 1.137
58 HG21 VAL 8 HG21 VAL 8 -7.052 3.995 -1.911
59 HG22 VAL 8 HG22 VAL 8 -6.455 4.090 -0.254
60 HG23 VAL 8 HG23 VAL 8 -7.960 4.898 -0.698
61 H LEU 9 H LEU 9 -7.175 0.444 1.474
62 HA LEU 9 HA LEU 9 -4.594 1.532 2.320
63 HB2 LEU 9 HB2 LEU 9 -6.765 0.875 3.660
64 HB3 LEU 9 HB3 LEU 9 -6.067 -0.745 3.631
65 HG LEU 9 HG LEU 9 -3.900 0.396 4.480
66 HD11 LEU 9 HD11 LEU 9 -4.460 2.446 5.879
67 HD12 LEU 9 HD12 LEU 9 -5.987 2.527 5.001
68 HD13 LEU 9 HD13 LEU 9 -4.462 2.705 4.134
69 HD21 LEU 9 HD21 LEU 9 -5.429 -1.088 5.815
70 HD22 LEU 9 HD22 LEU 9 -6.316 0.351 6.315
71 HD23 LEU 9 HD23 LEU 9 -4.629 0.147 6.787
72 H LYS 10 H LYS 10 -5.834 -1.567 1.083
73 HA LYS 10 HA LYS 10 -3.505 -3.170 1.572
74 HB2 LYS 10 HB2 LYS 10 -5.982 -3.665 0.754
75 HB3 LYS 10 HB3 LYS 10 -5.256 -3.516 -0.846
76 HG2 LYS 10 HG2 LYS 10 -4.814 -5.740 -0.540
77 HG3 LYS 10 HG3 LYS 10 -3.420 -5.115 0.342
78 HD2 LYS 10 HD2 LYS 10 -4.763 -5.182 2.443
79 HD3 LYS 10 HD3 LYS 10 -6.092 -5.910 1.539
80 HE2 LYS 10 HE2 LYS 10 -4.688 -7.843 0.964
81 HE3 LYS 10 HE3 LYS 10 -3.307 -7.107 1.801
82 HZ1 LYS 10 HZ1 LYS 10 -4.602 -7.049 3.838
83 HZ2 LYS 10 HZ2 LYS 10 -4.510 -8.643 3.256
84 HZ3 LYS 10 HZ3 LYS 10 -5.934 -7.741 3.048
85 H PHE 11 H PHE 11 -4.486 -1.213 -1.261
86 HA PHE 11 HA PHE 11 -2.234 -1.832 -2.928
87 HB2 PHE 11 HB2 PHE 11 -4.298 -0.820 -3.752
88 HB3 PHE 11 HB3 PHE 11 -4.069 0.583 -2.710
89 HD1 PHE 11 HD1 PHE 11 -2.462 -1.313 -5.511
90 HD2 PHE 11 HD2 PHE 11 -2.848 2.447 -3.470
91 HE1 PHE 11 HE1 PHE 11 -1.116 -0.215 -7.280
92 HE2 PHE 11 HE2 PHE 11 -1.503 3.546 -5.239
93 HZ PHE 11 HZ PHE 11 -0.637 2.215 -7.145
94 H PHE 12 H PHE 12 -2.784 0.748 -0.517
95 HA PHE 12 HA PHE 12 -0.339 2.189 -0.941
96 HB2 PHE 12 HB2 PHE 12 -2.508 1.973 1.061
97 HB3 PHE 12 HB3 PHE 12 -0.972 2.549 1.708
98 HD1 PHE 12 HD1 PHE 12 -3.352 3.105 -1.133
99 HD2 PHE 12 HD2 PHE 12 -0.345 4.790 1.428
100 HE1 PHE 12 HE1 PHE 12 -3.770 5.341 -2.115
101 HE2 PHE 12 HE2 PHE 12 -0.762 7.029 0.444
102 HZ PHE 12 HZ PHE 12 -2.475 7.303 -1.328
103 H LEU 13 H LEU 13 -1.164 -0.545 1.204
104 HA LEU 13 HA LEU 13 1.353 -0.686 2.593
105 HB2 LEU 13 HB2 LEU 13 -0.842 -1.735 3.233
106 HB3 LEU 13 HB3 LEU 13 -0.633 -2.882 1.910
107 HG LEU 13 HG LEU 13 1.721 -2.687 3.662
108 HD11 LEU 13 HD11 LEU 13 -0.856 -3.835 4.777
109 HD12 LEU 13 HD12 LEU 13 -0.115 -2.330 5.318
110 HD13 LEU 13 HD13 LEU 13 0.726 -3.861 5.556
111 HD21 LEU 13 HD21 LEU 13 -0.042 -5.014 2.824
112 HD22 LEU 13 HD22 LEU 13 1.589 -5.125 3.487
113 HD23 LEU 13 HD23 LEU 13 1.332 -4.412 1.894
114 H LEU 14 H LEU 14 0.190 -2.102 -0.456
115 HA LEU 14 HA LEU 14 2.523 -3.792 -0.875
116 HB2 LEU 14 HB2 LEU 14 0.006 -3.787 -1.781
117 HB3 LEU 14 HB3 LEU 14 0.743 -2.865 -3.092
118 HG LEU 14 HG LEU 14 2.539 -4.777 -3.074
119 HD11 LEU 14 HD11 LEU 14 1.627 -5.815 -0.987
120 HD12 LEU 14 HD12 LEU 14 1.677 -6.937 -2.347
121 HD13 LEU 14 HD13 LEU 14 0.147 -6.201 -1.866
122 HD21 LEU 14 HD21 LEU 14 1.046 -4.375 -4.956
123 HD22 LEU 14 HD22 LEU 14 -0.294 -5.139 -4.101
124 HD23 LEU 14 HD23 LEU 14 1.083 -6.107 -4.626
125 H VAL 15 H VAL 15 1.646 -0.491 -1.739
126 HA VAL 15 HA VAL 15 3.991 -0.237 -3.552
127 HB VAL 15 HB VAL 15 1.644 1.539 -2.811
128 HG11 VAL 15 HG11 VAL 15 4.178 2.141 -4.240
129 HG12 VAL 15 HG12 VAL 15 3.081 3.227 -3.385
130 HG13 VAL 15 HG13 VAL 15 2.701 2.701 -5.025
131 HG21 VAL 15 HG21 VAL 15 1.638 -0.593 -4.443
132 HG22 VAL 15 HG22 VAL 15 2.249 0.606 -5.582
133 HG23 VAL 15 HG23 VAL 15 0.690 0.851 -4.795
134 H PHE 16 H PHE 16 2.625 1.651 -0.810
135 HA PHE 16 HA PHE 16 5.019 3.150 -0.303
136 HB2 PHE 16 HB2 PHE 16 2.544 3.516 0.394
137 HB3 PHE 16 HB3 PHE 16 2.919 2.453 1.750
138 HD1 PHE 16 HD1 PHE 16 4.133 5.532 -0.002
139 HD2 PHE 16 HD2 PHE 16 3.965 3.312 3.672
140 HE1 PHE 16 HE1 PHE 16 5.195 7.428 1.192
141 HE2 PHE 16 HE2 PHE 16 5.028 5.209 4.865
142 HZ PHE 16 HZ PHE 16 5.643 7.267 3.625
143 H GLY 17 H GLY 17 4.020 -0.076 0.702
144 HA2 GLY 17 HA2 GLY 17 5.617 -0.416 3.019
145 HA3 GLY 17 HA3 GLY 17 5.175 -1.721 1.919
146 H GLU 18 H GLU 18 6.467 -1.156 -0.392
147 HA GLU 18 HA GLU 18 9.192 -1.872 0.109
148 HB2 GLU 18 HB2 GLU 18 7.577 -0.891 -2.234
149 HB3 GLU 18 HB3 GLU 18 9.320 -1.102 -2.404
150 HG2 GLU 18 HG2 GLU 18 7.651 -3.309 -1.221
151 HG3 GLU 18 HG3 GLU 18 7.735 -3.110 -2.972
152 H ASN 19 H ASN 19 7.634 1.255 -0.372
153 HA ASN 19 HA ASN 19 9.992 2.835 -0.810
154 HB2 ASN 19 HB2 ASN 19 7.155 3.261 0.036
155 HB3 ASN 19 HB3 ASN 19 8.288 4.592 0.265
156 HD21 ASN 19 HD21 ASN 19 6.510 2.754 -2.132
157 HD22 ASN 19 HD22 ASN 19 7.033 3.640 -3.481
158 H GLY 20 H GLY 20 8.686 1.384 2.069
159 HA2 GLY 20 HA2 GLY 20 10.511 3.041 3.761
160 HA3 GLY 20 HA3 GLY 20 9.069 2.229 4.365
161 H VAL 21 H VAL 21 9.528 -0.297 2.993
162 HA VAL 21 HA VAL 21 11.167 -1.632 4.926
163 HB VAL 21 HB VAL 21 10.104 -2.409 2.193
164 HG11 VAL 21 HG11 VAL 21 11.550 -4.029 4.296
165 HG12 VAL 21 HG12 VAL 21 11.871 -3.950 2.563
166 HG13 VAL 21 HG13 VAL 21 10.434 -4.782 3.155
167 HG21 VAL 21 HG21 VAL 21 8.491 -1.849 4.072
168 HG22 VAL 21 HG22 VAL 21 9.173 -3.205 4.967
169 HG23 VAL 21 HG23 VAL 21 8.341 -3.487 3.438
170 H PHE 22 H PHE 22 11.993 -0.123 1.870
171 HA PHE 22 HA PHE 22 14.361 -1.489 1.168
172 HB2 PHE 22 HB2 PHE 22 14.691 0.321 -0.259
173 HB3 PHE 22 HB3 PHE 22 12.982 0.513 0.115
174 HD1 PHE 22 HD1 PHE 22 12.415 2.013 2.198
175 HD2 PHE 22 HD2 PHE 22 16.170 2.097 0.114
176 HE1 PHE 22 HE1 PHE 22 12.878 4.264 3.125
177 HE2 PHE 22 HE2 PHE 22 16.633 4.350 1.041
178 HZ PHE 22 HZ PHE 22 14.988 5.433 2.548
179 H PHE 23 H PHE 23 13.809 0.718 3.826
180 HA PHE 23 HA PHE 23 16.545 0.175 4.839
181 HB2 PHE 23 HB2 PHE 23 15.910 2.477 3.392
182 HB3 PHE 23 HB3 PHE 23 15.824 3.002 5.073
183 HD1 PHE 23 HD1 PHE 23 17.791 2.683 6.588
184 HD2 PHE 23 HD2 PHE 23 17.998 1.893 2.370
185 HE1 PHE 23 HE1 PHE 23 20.268 2.722 6.701
186 HE2 PHE 23 HE2 PHE 23 20.474 1.934 2.484
187 HZ PHE 23 HZ PHE 23 21.609 2.347 4.649
188 H TYR 24 H TYR 24 13.745 -0.509 5.636
189 HA TYR 24 HA TYR 24 12.257 -0.394 7.462
190 HB2 TYR 24 HB2 TYR 24 13.471 -0.969 9.523
191 HB3 TYR 24 HB3 TYR 24 14.119 -1.832 8.136
192 HD1 TYR 24 HD1 TYR 24 14.709 1.016 10.458
193 HD2 TYR 24 HD2 TYR 24 16.381 -1.504 7.404
194 HE1 TYR 24 HE1 TYR 24 16.965 1.914 10.952
195 HE2 TYR 24 HE2 TYR 24 18.637 -0.601 7.899
196 HH TYR 24 HH TYR 24 19.538 0.768 10.513
197 H LYS 25 H LYS 25 13.004 2.318 6.476
198 HA LYS 25 HA LYS 25 12.827 4.575 7.138
199 HB2 LYS 25 HB2 LYS 25 11.036 2.969 8.957
200 HB3 LYS 25 HB3 LYS 25 11.125 4.722 9.125
201 HG2 LYS 25 HG2 LYS 25 9.747 4.980 7.368
202 HG3 LYS 25 HG3 LYS 25 10.879 4.102 6.339
203 HD2 LYS 25 HD2 LYS 25 8.862 2.852 6.227
204 HD3 LYS 25 HD3 LYS 25 9.886 1.959 7.353
205 HE2 LYS 25 HE2 LYS 25 8.732 3.332 9.218
206 HE3 LYS 25 HE3 LYS 25 7.527 3.747 7.983
207 HZ1 LYS 25 HZ1 LYS 25 7.233 1.395 7.517
208 HZ2 LYS 25 HZ2 LYS 25 6.923 1.706 9.158
209 HZ3 LYS 25 HZ3 LYS 25 8.391 0.988 8.690
Start of MODEL 6
1 HA HIS 1 HA HIS 1 -21.255 1.934 -2.603
2 HB2 HIS 1 HB2 HIS 1 -22.237 -0.797 -3.394
3 HB3 HIS 1 HB3 HIS 1 -22.988 0.020 -2.023
4 HD1 HIS 1 HD1 HIS 1 -23.046 -0.122 -5.668
5 HD2 HIS 1 HD2 HIS 1 -24.012 2.722 -2.775
6 HE1 HIS 1 HE1 HIS 1 -24.482 1.617 -6.822
7 H ALA 2 H ALA 2 -20.699 -1.537 -1.829
8 HA ALA 2 HA ALA 2 -19.643 -0.665 0.847
9 HB1 ALA 2 HB1 ALA 2 -20.694 -2.705 1.707
10 HB2 ALA 2 HB2 ALA 2 -21.154 -3.184 0.073
11 HB3 ALA 2 HB3 ALA 2 -21.891 -1.764 0.817
12 H TRP 3 H TRP 3 -18.252 -2.539 1.826
13 HA TRP 3 HA TRP 3 -16.203 -3.704 1.694
14 HB2 TRP 3 HB2 TRP 3 -18.169 -5.142 0.639
15 HB3 TRP 3 HB3 TRP 3 -17.249 -4.915 -0.847
16 HD1 TRP 3 HD1 TRP 3 -14.605 -5.691 -0.733
17 HE1 TRP 3 HE1 TRP 3 -13.548 -7.671 0.532
18 HE3 TRP 3 HE3 TRP 3 -18.300 -6.646 2.660
19 HZ2 TRP 3 HZ2 TRP 3 -14.184 -9.429 2.698
20 HZ3 TRP 3 HZ3 TRP 3 -18.050 -8.477 4.310
21 HH2 TRP 3 HH2 TRP 3 -15.998 -9.869 4.333
22 H TYR 4 H TYR 4 -15.589 -1.277 0.845
23 HA TYR 4 HA TYR 4 -13.771 -1.732 -1.458
24 HB2 TYR 4 HB2 TYR 4 -14.708 0.027 -2.769
25 HB3 TYR 4 HB3 TYR 4 -16.094 -0.896 -2.193
26 HD1 TYR 4 HD1 TYR 4 -17.184 -0.082 0.050
27 HD2 TYR 4 HD2 TYR 4 -14.606 2.339 -2.389
28 HE1 TYR 4 HE1 TYR 4 -18.096 1.962 1.115
29 HE2 TYR 4 HE2 TYR 4 -15.519 4.383 -1.324
30 HH TYR 4 HH TYR 4 -18.252 4.597 0.199
31 H SER 5 H SER 5 -13.713 -1.000 1.577
32 HA SER 5 HA SER 5 -12.105 1.519 1.336
33 HB2 SER 5 HB2 SER 5 -13.423 0.299 3.779
34 HB3 SER 5 HB3 SER 5 -12.757 1.923 3.636
35 HG SER 5 HG SER 5 -15.164 0.887 2.753
36 H HIS 6 H HIS 6 -11.622 -1.744 1.475
37 HA HIS 6 HA HIS 6 -9.304 -1.584 3.353
38 HB2 HIS 6 HB2 HIS 6 -11.301 -3.337 3.342
39 HB3 HIS 6 HB3 HIS 6 -10.319 -4.112 2.098
40 HD1 HIS 6 HD1 HIS 6 -7.959 -4.997 2.810
41 HD2 HIS 6 HD2 HIS 6 -10.215 -3.455 5.958
42 HE1 HIS 6 HE1 HIS 6 -6.803 -5.723 4.943
43 H TYR 7 H TYR 7 -10.188 -2.187 -0.002
44 HA TYR 7 HA TYR 7 -7.715 -3.294 -0.931
45 HB2 TYR 7 HB2 TYR 7 -9.865 -1.600 -2.242
46 HB3 TYR 7 HB3 TYR 7 -8.558 -2.364 -3.144
47 HD1 TYR 7 HD1 TYR 7 -8.258 -4.924 -2.871
48 HD2 TYR 7 HD2 TYR 7 -11.821 -2.809 -1.731
49 HE1 TYR 7 HE1 TYR 7 -9.541 -7.046 -2.936
50 HE2 TYR 7 HE2 TYR 7 -13.100 -4.931 -1.795
51 HH TYR 7 HH TYR 7 -11.812 -7.862 -1.684
52 H VAL 8 H VAL 8 -8.861 0.061 -0.690
53 HA VAL 8 HA VAL 8 -6.553 1.330 -1.809
54 HB VAL 8 HB VAL 8 -8.793 2.368 -1.423
55 HG11 VAL 8 HG11 VAL 8 -9.073 1.308 0.872
56 HG12 VAL 8 HG12 VAL 8 -9.517 3.011 0.770
57 HG13 VAL 8 HG13 VAL 8 -7.975 2.543 1.487
58 HG21 VAL 8 HG21 VAL 8 -7.947 4.548 -0.596
59 HG22 VAL 8 HG22 VAL 8 -6.828 3.813 -1.744
60 HG23 VAL 8 HG23 VAL 8 -6.484 3.751 -0.016
61 H LEU 9 H LEU 9 -7.252 0.069 1.401
62 HA LEU 9 HA LEU 9 -4.996 1.297 2.759
63 HB2 LEU 9 HB2 LEU 9 -7.284 0.066 3.514
64 HB3 LEU 9 HB3 LEU 9 -6.179 -1.299 3.655
65 HG LEU 9 HG LEU 9 -6.349 -0.067 5.789
66 HD11 LEU 9 HD11 LEU 9 -4.045 -0.029 6.257
67 HD12 LEU 9 HD12 LEU 9 -3.633 0.565 4.649
68 HD13 LEU 9 HD13 LEU 9 -4.148 -1.107 4.866
69 HD21 LEU 9 HD21 LEU 9 -5.000 2.271 4.440
70 HD22 LEU 9 HD22 LEU 9 -5.813 2.221 6.004
71 HD23 LEU 9 HD23 LEU 9 -6.759 2.162 4.517
72 H LYS 10 H LYS 10 -5.593 -1.902 1.261
73 HA LYS 10 HA LYS 10 -2.979 -2.992 1.877
74 HB2 LYS 10 HB2 LYS 10 -5.449 -3.735 0.571
75 HB3 LYS 10 HB3 LYS 10 -4.086 -4.201 -0.446
76 HG2 LYS 10 HG2 LYS 10 -4.477 -6.047 1.025
77 HG3 LYS 10 HG3 LYS 10 -3.039 -5.228 1.637
78 HD2 LYS 10 HD2 LYS 10 -5.220 -3.932 2.866
79 HD3 LYS 10 HD3 LYS 10 -5.589 -5.654 2.948
80 HE2 LYS 10 HE2 LYS 10 -2.849 -4.613 3.705
81 HE3 LYS 10 HE3 LYS 10 -4.174 -4.682 4.883
82 HZ1 LYS 10 HZ1 LYS 10 -3.100 -6.936 3.270
83 HZ2 LYS 10 HZ2 LYS 10 -4.518 -7.031 4.204
84 HZ3 LYS 10 HZ3 LYS 10 -3.018 -6.759 4.955
85 H PHE 11 H PHE 11 -4.377 -1.406 -1.005
86 HA PHE 11 HA PHE 11 -2.152 -1.663 -2.761
87 HB2 PHE 11 HB2 PHE 11 -4.510 -0.912 -3.267
88 HB3 PHE 11 HB3 PHE 11 -4.116 0.641 -2.529
89 HD1 PHE 11 HD1 PHE 11 -3.160 -1.702 -5.266
90 HD2 PHE 11 HD2 PHE 11 -2.898 2.298 -3.722
91 HE1 PHE 11 HE1 PHE 11 -2.139 -0.946 -7.396
92 HE2 PHE 11 HE2 PHE 11 -1.878 3.053 -5.852
93 HZ PHE 11 HZ PHE 11 -1.498 1.431 -7.689
94 H PHE 12 H PHE 12 -2.917 0.897 -0.368
95 HA PHE 12 HA PHE 12 -0.694 2.610 -0.982
96 HB2 PHE 12 HB2 PHE 12 -2.883 2.886 0.471
97 HB3 PHE 12 HB3 PHE 12 -1.853 2.304 1.777
98 HD1 PHE 12 HD1 PHE 12 0.357 3.517 2.219
99 HD2 PHE 12 HD2 PHE 12 -2.744 5.126 -0.283
100 HE1 PHE 12 HE1 PHE 12 1.350 5.778 2.442
101 HE2 PHE 12 HE2 PHE 12 -1.750 7.387 -0.058
102 HZ PHE 12 HZ PHE 12 0.297 7.713 1.305
103 H LEU 13 H LEU 13 -1.095 0.023 1.468
104 HA LEU 13 HA LEU 13 1.556 0.242 2.580
105 HB2 LEU 13 HB2 LEU 13 -0.660 -0.918 3.391
106 HB3 LEU 13 HB3 LEU 13 -0.056 -2.302 2.478
107 HG LEU 13 HG LEU 13 1.959 -1.017 4.210
108 HD11 LEU 13 HD11 LEU 13 1.082 -1.759 6.300
109 HD12 LEU 13 HD12 LEU 13 -0.229 -2.643 5.520
110 HD13 LEU 13 HD13 LEU 13 -0.236 -0.880 5.526
111 HD21 LEU 13 HD21 LEU 13 2.132 -3.203 2.896
112 HD22 LEU 13 HD22 LEU 13 1.020 -3.894 4.078
113 HD23 LEU 13 HD23 LEU 13 2.596 -3.294 4.595
114 H LEU 14 H LEU 14 0.234 -1.492 -0.206
115 HA LEU 14 HA LEU 14 2.530 -3.221 -0.621
116 HB2 LEU 14 HB2 LEU 14 -0.070 -3.026 -1.527
117 HB3 LEU 14 HB3 LEU 14 0.852 -2.508 -2.937
118 HG LEU 14 HG LEU 14 2.221 -4.750 -1.885
119 HD11 LEU 14 HD11 LEU 14 -0.772 -4.974 -1.762
120 HD12 LEU 14 HD12 LEU 14 0.441 -5.642 -0.670
121 HD13 LEU 14 HD13 LEU 14 0.175 -6.379 -2.251
122 HD21 LEU 14 HD21 LEU 14 2.078 -4.116 -4.254
123 HD22 LEU 14 HD22 LEU 14 0.349 -4.462 -4.261
124 HD23 LEU 14 HD23 LEU 14 1.510 -5.771 -4.042
125 H VAL 15 H VAL 15 1.809 0.089 -1.423
126 HA VAL 15 HA VAL 15 4.066 0.191 -3.380
127 HB VAL 15 HB VAL 15 1.771 2.058 -2.683
128 HG11 VAL 15 HG11 VAL 15 4.245 2.470 -4.318
129 HG12 VAL 15 HG12 VAL 15 3.346 3.626 -3.335
130 HG13 VAL 15 HG13 VAL 15 2.733 3.150 -4.919
131 HG21 VAL 15 HG21 VAL 15 2.284 0.947 -5.412
132 HG22 VAL 15 HG22 VAL 15 0.751 1.298 -4.613
133 HG23 VAL 15 HG23 VAL 15 1.652 -0.158 -4.190
134 H PHE 16 H PHE 16 2.759 2.204 -0.701
135 HA PHE 16 HA PHE 16 5.245 3.613 -0.253
136 HB2 PHE 16 HB2 PHE 16 2.523 3.493 0.779
137 HB3 PHE 16 HB3 PHE 16 3.688 3.690 2.087
138 HD1 PHE 16 HD1 PHE 16 5.270 5.615 2.084
139 HD2 PHE 16 HD2 PHE 16 2.148 5.235 -0.843
140 HE1 PHE 16 HE1 PHE 16 5.543 8.004 1.480
141 HE2 PHE 16 HE2 PHE 16 2.422 7.623 -1.446
142 HZ PHE 16 HZ PHE 16 4.120 9.009 -0.284
143 H GLY 17 H GLY 17 3.775 0.696 1.176
144 HA2 GLY 17 HA2 GLY 17 5.640 0.409 3.346
145 HA3 GLY 17 HA3 GLY 17 4.669 -0.896 2.659
146 H GLU 18 H GLU 18 5.579 -0.915 0.023
147 HA GLU 18 HA GLU 18 7.990 -2.435 0.182
148 HB2 GLU 18 HB2 GLU 18 6.046 -1.637 -1.745
149 HB3 GLU 18 HB3 GLU 18 7.628 -1.244 -2.416
150 HG2 GLU 18 HG2 GLU 18 8.198 -3.428 -2.663
151 HG3 GLU 18 HG3 GLU 18 7.523 -3.875 -1.097
152 H ASN 19 H ASN 19 7.417 0.993 -0.530
153 HA ASN 19 HA ASN 19 10.044 1.734 -1.352
154 HB2 ASN 19 HB2 ASN 19 7.614 3.030 -0.233
155 HB3 ASN 19 HB3 ASN 19 9.111 3.950 -0.094
156 HD21 ASN 19 HD21 ASN 19 6.738 2.691 -2.372
157 HD22 ASN 19 HD22 ASN 19 7.387 3.445 -3.746
158 H GLY 20 H GLY 20 8.687 1.153 1.841
159 HA2 GLY 20 HA2 GLY 20 11.127 2.162 3.179
160 HA3 GLY 20 HA3 GLY 20 9.665 1.594 3.988
161 H VAL 21 H VAL 21 9.377 -0.898 2.627
162 HA VAL 21 HA VAL 21 11.130 -2.577 4.171
163 HB VAL 21 HB VAL 21 9.272 -3.048 1.822
164 HG11 VAL 21 HG11 VAL 21 10.832 -5.011 3.518
165 HG12 VAL 21 HG12 VAL 21 10.788 -4.893 1.759
166 HG13 VAL 21 HG13 VAL 21 9.374 -5.472 2.639
167 HG21 VAL 21 HG21 VAL 21 8.977 -3.722 4.766
168 HG22 VAL 21 HG22 VAL 21 7.736 -3.847 3.519
169 HG23 VAL 21 HG23 VAL 21 8.322 -2.262 4.024
170 H PHE 22 H PHE 22 11.174 -1.598 0.749
171 HA PHE 22 HA PHE 22 13.493 -3.266 0.110
172 HB2 PHE 22 HB2 PHE 22 11.764 -1.232 -1.257
173 HB3 PHE 22 HB3 PHE 22 13.309 -1.654 -1.990
174 HD1 PHE 22 HD1 PHE 22 10.206 -3.205 -0.573
175 HD2 PHE 22 HD2 PHE 22 13.511 -3.600 -3.290
176 HE1 PHE 22 HE1 PHE 22 9.221 -5.296 -1.469
177 HE2 PHE 22 HE2 PHE 22 12.524 -5.690 -4.185
178 HZ PHE 22 HZ PHE 22 10.379 -6.538 -3.275
179 H PHE 23 H PHE 23 13.206 -0.368 1.808
180 HA PHE 23 HA PHE 23 15.956 0.508 0.986
181 HB2 PHE 23 HB2 PHE 23 13.421 1.917 1.754
182 HB3 PHE 23 HB3 PHE 23 14.958 2.696 2.129
183 HD1 PHE 23 HD1 PHE 23 12.941 1.221 -0.639
184 HD2 PHE 23 HD2 PHE 23 16.273 3.716 0.427
185 HE1 PHE 23 HE1 PHE 23 13.153 1.947 -3.000
186 HE2 PHE 23 HE2 PHE 23 16.483 4.441 -1.934
187 HZ PHE 23 HZ PHE 23 14.923 3.557 -3.648
188 H TYR 24 H TYR 24 15.218 -1.558 3.027
189 HA TYR 24 HA TYR 24 16.643 -0.338 5.344
190 HB2 TYR 24 HB2 TYR 24 13.839 -0.935 5.159
191 HB3 TYR 24 HB3 TYR 24 14.565 -2.026 6.335
192 HD1 TYR 24 HD1 TYR 24 16.139 -0.974 8.112
193 HD2 TYR 24 HD2 TYR 24 13.344 1.285 5.758
194 HE1 TYR 24 HE1 TYR 24 16.231 0.867 9.771
195 HE2 TYR 24 HE2 TYR 24 13.436 3.126 7.417
196 HH TYR 24 HH TYR 24 15.536 3.781 9.320
197 H LYS 25 H LYS 25 18.095 -1.910 3.840
198 HA LYS 25 HA LYS 25 17.979 -4.639 5.085
199 HB2 LYS 25 HB2 LYS 25 17.299 -4.583 2.700
200 HB3 LYS 25 HB3 LYS 25 18.837 -3.826 2.287
201 HG2 LYS 25 HG2 LYS 25 19.044 -6.194 1.843
202 HG3 LYS 25 HG3 LYS 25 20.003 -5.831 3.278
203 HD2 LYS 25 HD2 LYS 25 17.559 -6.383 4.393
204 HD3 LYS 25 HD3 LYS 25 17.566 -7.476 3.010
205 HE2 LYS 25 HE2 LYS 25 18.660 -8.807 4.582
206 HE3 LYS 25 HE3 LYS 25 20.055 -7.968 3.878
207 HZ1 LYS 25 HZ1 LYS 25 19.842 -6.252 5.575
208 HZ2 LYS 25 HZ2 LYS 25 20.052 -7.777 6.298
209 HZ3 LYS 25 HZ3 LYS 25 18.513 -7.060 6.256
Start of MODEL 7
1 HA HIS 1 HA HIS 1 -24.357 -3.128 2.392
2 HB2 HIS 1 HB2 HIS 1 -24.130 -1.006 3.753
3 HB3 HIS 1 HB3 HIS 1 -22.690 -0.625 2.810
4 HD1 HIS 1 HD1 HIS 1 -26.428 -1.066 2.450
5 HD2 HIS 1 HD2 HIS 1 -23.199 0.322 0.206
6 HE1 HIS 1 HE1 HIS 1 -27.407 0.031 0.388
7 H ALA 2 H ALA 2 -21.071 -1.675 2.089
8 HA ALA 2 HA ALA 2 -20.682 -3.266 -0.419
9 HB1 ALA 2 HB1 ALA 2 -21.549 -1.011 -0.953
10 HB2 ALA 2 HB2 ALA 2 -19.882 -1.187 -1.503
11 HB3 ALA 2 HB3 ALA 2 -20.234 -0.287 -0.027
12 H TRP 3 H TRP 3 -18.414 -3.580 -0.958
13 HA TRP 3 HA TRP 3 -16.531 -2.997 1.308
14 HB2 TRP 3 HB2 TRP 3 -17.461 -5.439 0.255
15 HB3 TRP 3 HB3 TRP 3 -15.823 -5.267 -0.372
16 HD1 TRP 3 HD1 TRP 3 -14.285 -3.962 1.909
17 HE1 TRP 3 HE1 TRP 3 -13.950 -5.133 4.178
18 HE3 TRP 3 HE3 TRP 3 -18.149 -7.302 1.763
19 HZ2 TRP 3 HZ2 TRP 3 -15.153 -7.213 5.728
20 HZ3 TRP 3 HZ3 TRP 3 -18.528 -8.866 3.647
21 HH2 TRP 3 HH2 TRP 3 -17.037 -8.826 5.628
22 H TYR 4 H TYR 4 -15.653 -1.096 0.315
23 HA TYR 4 HA TYR 4 -13.836 -1.651 -1.979
24 HB2 TYR 4 HB2 TYR 4 -14.704 0.301 -3.192
25 HB3 TYR 4 HB3 TYR 4 -16.010 -0.836 -2.870
26 HD1 TYR 4 HD1 TYR 4 -17.701 -0.356 -1.127
27 HD2 TYR 4 HD2 TYR 4 -14.620 2.473 -2.111
28 HE1 TYR 4 HE1 TYR 4 -18.965 1.428 0.042
29 HE2 TYR 4 HE2 TYR 4 -15.884 4.256 -0.939
30 HH TYR 4 HH TYR 4 -17.989 3.907 1.211
31 H SER 5 H SER 5 -13.729 -0.844 1.046
32 HA SER 5 HA SER 5 -12.008 1.589 0.705
33 HB2 SER 5 HB2 SER 5 -14.167 1.622 2.106
34 HB3 SER 5 HB3 SER 5 -13.305 0.593 3.248
35 HG SER 5 HG SER 5 -12.329 2.315 3.930
36 H HIS 6 H HIS 6 -11.817 -1.730 1.203
37 HA HIS 6 HA HIS 6 -9.510 -1.604 3.065
38 HB2 HIS 6 HB2 HIS 6 -11.204 -3.790 1.839
39 HB3 HIS 6 HB3 HIS 6 -9.741 -4.157 2.751
40 HD1 HIS 6 HD1 HIS 6 -13.082 -2.395 3.191
41 HD2 HIS 6 HD2 HIS 6 -10.065 -4.084 5.519
42 HE1 HIS 6 HE1 HIS 6 -13.923 -2.374 5.578
43 H TYR 7 H TYR 7 -10.232 -2.065 -0.331
44 HA TYR 7 HA TYR 7 -7.717 -3.256 -1.111
45 HB2 TYR 7 HB2 TYR 7 -9.767 -1.589 -2.612
46 HB3 TYR 7 HB3 TYR 7 -8.469 -2.498 -3.383
47 HD1 TYR 7 HD1 TYR 7 -8.331 -5.042 -2.850
48 HD2 TYR 7 HD2 TYR 7 -11.820 -2.635 -2.149
49 HE1 TYR 7 HE1 TYR 7 -9.733 -7.087 -2.804
50 HE2 TYR 7 HE2 TYR 7 -13.221 -4.679 -2.102
51 HH TYR 7 HH TYR 7 -12.290 -7.532 -1.545
52 H VAL 8 H VAL 8 -8.938 0.083 -1.083
53 HA VAL 8 HA VAL 8 -6.581 1.350 -2.092
54 HB VAL 8 HB VAL 8 -8.832 2.380 -1.938
55 HG11 VAL 8 HG11 VAL 8 -9.378 1.367 0.311
56 HG12 VAL 8 HG12 VAL 8 -9.765 3.081 0.174
57 HG13 VAL 8 HG13 VAL 8 -8.318 2.572 1.043
58 HG21 VAL 8 HG21 VAL 8 -7.027 3.941 -2.144
59 HG22 VAL 8 HG22 VAL 8 -6.583 3.754 -0.447
60 HG23 VAL 8 HG23 VAL 8 -8.081 4.577 -0.881
61 H LEU 9 H LEU 9 -7.493 0.266 1.142
62 HA LEU 9 HA LEU 9 -5.276 1.585 2.516
63 HB2 LEU 9 HB2 LEU 9 -7.555 0.841 3.439
64 HB3 LEU 9 HB3 LEU 9 -6.917 -0.804 3.410
65 HG LEU 9 HG LEU 9 -5.147 1.204 4.676
66 HD11 LEU 9 HD11 LEU 9 -7.754 0.346 5.971
67 HD12 LEU 9 HD12 LEU 9 -7.337 1.989 5.480
68 HD13 LEU 9 HD13 LEU 9 -6.445 1.204 6.784
69 HD21 LEU 9 HD21 LEU 9 -4.965 -1.397 4.525
70 HD22 LEU 9 HD22 LEU 9 -6.147 -1.393 5.834
71 HD23 LEU 9 HD23 LEU 9 -4.581 -0.614 6.057
72 H LYS 10 H LYS 10 -5.936 -1.684 1.236
73 HA LYS 10 HA LYS 10 -3.453 -2.855 2.199
74 HB2 LYS 10 HB2 LYS 10 -5.588 -4.053 1.639
75 HB3 LYS 10 HB3 LYS 10 -5.302 -3.687 -0.063
76 HG2 LYS 10 HG2 LYS 10 -3.757 -5.329 -0.268
77 HG3 LYS 10 HG3 LYS 10 -2.970 -4.889 1.248
78 HD2 LYS 10 HD2 LYS 10 -3.827 -7.049 1.672
79 HD3 LYS 10 HD3 LYS 10 -5.022 -5.974 2.398
80 HE2 LYS 10 HE2 LYS 10 -5.589 -6.465 -0.433
81 HE3 LYS 10 HE3 LYS 10 -5.573 -7.963 0.520
82 HZ1 LYS 10 HZ1 LYS 10 -7.040 -6.973 2.123
83 HZ2 LYS 10 HZ2 LYS 10 -7.743 -6.804 0.586
84 HZ3 LYS 10 HZ3 LYS 10 -6.989 -5.473 1.328
85 H PHE 11 H PHE 11 -4.517 -1.396 -0.878
86 HA PHE 11 HA PHE 11 -2.168 -2.017 -2.414
87 HB2 PHE 11 HB2 PHE 11 -4.393 -1.301 -3.287
88 HB3 PHE 11 HB3 PHE 11 -4.121 0.305 -2.611
89 HD1 PHE 11 HD1 PHE 11 -2.956 -2.143 -5.141
90 HD2 PHE 11 HD2 PHE 11 -2.632 1.877 -3.661
91 HE1 PHE 11 HE1 PHE 11 -1.696 -1.494 -7.176
92 HE2 PHE 11 HE2 PHE 11 -1.373 2.525 -5.696
93 HZ PHE 11 HZ PHE 11 -0.905 0.840 -7.453
94 H PHE 12 H PHE 12 -3.065 0.894 -0.512
95 HA PHE 12 HA PHE 12 -0.717 2.428 -1.087
96 HB2 PHE 12 HB2 PHE 12 -3.035 2.936 0.100
97 HB3 PHE 12 HB3 PHE 12 -2.126 2.554 1.563
98 HD1 PHE 12 HD1 PHE 12 0.104 3.783 1.950
99 HD2 PHE 12 HD2 PHE 12 -2.820 5.044 -0.934
100 HE1 PHE 12 HE1 PHE 12 1.127 6.040 1.899
101 HE2 PHE 12 HE2 PHE 12 -1.794 7.302 -0.985
102 HZ PHE 12 HZ PHE 12 0.179 7.800 0.431
103 H LEU 13 H LEU 13 -1.442 0.180 1.606
104 HA LEU 13 HA LEU 13 1.015 0.508 3.036
105 HB2 LEU 13 HB2 LEU 13 -1.238 -0.655 3.630
106 HB3 LEU 13 HB3 LEU 13 -0.551 -2.066 2.825
107 HG LEU 13 HG LEU 13 1.541 -1.421 4.396
108 HD11 LEU 13 HD11 LEU 13 0.558 0.473 5.493
109 HD12 LEU 13 HD12 LEU 13 0.531 -0.846 6.664
110 HD13 LEU 13 HD13 LEU 13 -0.941 -0.401 5.801
111 HD21 LEU 13 HD21 LEU 13 -0.891 -2.940 5.391
112 HD22 LEU 13 HD22 LEU 13 0.780 -3.178 5.901
113 HD23 LEU 13 HD23 LEU 13 0.291 -3.594 4.260
114 H LEU 14 H LEU 14 0.151 -1.530 0.255
115 HA LEU 14 HA LEU 14 2.563 -3.137 0.285
116 HB2 LEU 14 HB2 LEU 14 0.204 -3.442 -0.852
117 HB3 LEU 14 HB3 LEU 14 0.933 -2.524 -2.169
118 HG LEU 14 HG LEU 14 2.900 -4.211 -1.974
119 HD11 LEU 14 HD11 LEU 14 0.682 -5.806 -0.651
120 HD12 LEU 14 HD12 LEU 14 2.103 -5.177 0.185
121 HD13 LEU 14 HD13 LEU 14 2.290 -6.399 -1.073
122 HD21 LEU 14 HD21 LEU 14 1.749 -5.775 -3.485
123 HD22 LEU 14 HD22 LEU 14 1.290 -4.115 -3.862
124 HD23 LEU 14 HD23 LEU 14 0.185 -5.152 -2.959
125 H VAL 15 H VAL 15 1.537 -0.303 -1.621
126 HA VAL 15 HA VAL 15 4.016 -0.017 -3.080
127 HB VAL 15 HB VAL 15 1.756 1.901 -2.400
128 HG11 VAL 15 HG11 VAL 15 2.639 3.063 -4.530
129 HG12 VAL 15 HG12 VAL 15 4.124 2.151 -4.261
130 HG13 VAL 15 HG13 VAL 15 3.562 3.299 -3.046
131 HG21 VAL 15 HG21 VAL 15 0.935 1.344 -4.630
132 HG22 VAL 15 HG22 VAL 15 1.163 -0.148 -3.718
133 HG23 VAL 15 HG23 VAL 15 2.349 0.333 -4.931
134 H PHE 16 H PHE 16 2.702 1.626 -0.175
135 HA PHE 16 HA PHE 16 4.969 3.328 0.302
136 HB2 PHE 16 HB2 PHE 16 2.568 3.379 1.244
137 HB3 PHE 16 HB3 PHE 16 3.113 2.149 2.383
138 HD1 PHE 16 HD1 PHE 16 3.751 5.616 1.179
139 HD2 PHE 16 HD2 PHE 16 4.452 2.714 4.269
140 HE1 PHE 16 HE1 PHE 16 4.749 7.380 2.609
141 HE2 PHE 16 HE2 PHE 16 5.450 4.477 5.698
142 HZ PHE 16 HZ PHE 16 5.599 6.810 4.869
143 H GLY 17 H GLY 17 4.176 0.010 1.332
144 HA2 GLY 17 HA2 GLY 17 6.347 -0.327 3.174
145 HA3 GLY 17 HA3 GLY 17 5.496 -1.639 2.355
146 H GLU 18 H GLU 18 6.050 -0.942 -0.330
147 HA GLU 18 HA GLU 18 8.655 -2.075 -0.707
148 HB2 GLU 18 HB2 GLU 18 6.593 -0.691 -2.400
149 HB3 GLU 18 HB3 GLU 18 8.164 -1.090 -3.099
150 HG2 GLU 18 HG2 GLU 18 7.297 -3.381 -1.659
151 HG3 GLU 18 HG3 GLU 18 5.927 -2.831 -2.622
152 H ASN 19 H ASN 19 7.551 1.245 -0.391
153 HA ASN 19 HA ASN 19 9.920 2.515 -1.464
154 HB2 ASN 19 HB2 ASN 19 7.480 3.239 0.070
155 HB3 ASN 19 HB3 ASN 19 8.844 4.345 0.227
156 HD21 ASN 19 HD21 ASN 19 6.398 3.136 -1.987
157 HD22 ASN 19 HD22 ASN 19 6.791 4.163 -3.279
158 H GLY 20 H GLY 20 9.116 1.089 1.620
159 HA2 GLY 20 HA2 GLY 20 11.568 2.251 2.854
160 HA3 GLY 20 HA3 GLY 20 10.241 1.508 3.747
161 H VAL 21 H VAL 21 10.083 -0.809 1.867
162 HA VAL 21 HA VAL 21 12.374 -2.333 3.007
163 HB VAL 21 HB VAL 21 9.739 -3.123 1.725
164 HG11 VAL 21 HG11 VAL 21 11.909 -4.832 2.984
165 HG12 VAL 21 HG12 VAL 21 11.403 -4.859 1.295
166 HG13 VAL 21 HG13 VAL 21 10.300 -5.412 2.555
167 HG21 VAL 21 HG21 VAL 21 10.072 -2.069 4.173
168 HG22 VAL 21 HG22 VAL 21 10.481 -3.743 4.551
169 HG23 VAL 21 HG23 VAL 21 8.904 -3.354 3.864
170 H PHE 22 H PHE 22 10.818 -1.649 -0.121
171 HA PHE 22 HA PHE 22 13.062 -3.045 -1.516
172 HB2 PHE 22 HB2 PHE 22 10.328 -3.144 -1.803
173 HB3 PHE 22 HB3 PHE 22 10.780 -1.995 -3.063
174 HD1 PHE 22 HD1 PHE 22 11.249 -5.442 -1.806
175 HD2 PHE 22 HD2 PHE 22 12.086 -2.673 -4.983
176 HE1 PHE 22 HE1 PHE 22 12.043 -7.313 -3.229
177 HE2 PHE 22 HE2 PHE 22 12.878 -4.544 -6.404
178 HZ PHE 22 HZ PHE 22 12.858 -6.863 -5.528
179 H PHE 23 H PHE 23 12.700 -0.033 -0.387
180 HA PHE 23 HA PHE 23 14.270 1.169 -2.585
181 HB2 PHE 23 HB2 PHE 23 11.413 1.550 -2.181
182 HB3 PHE 23 HB3 PHE 23 12.274 3.083 -2.058
183 HD1 PHE 23 HD1 PHE 23 14.117 3.495 -3.911
184 HD2 PHE 23 HD2 PHE 23 10.836 0.748 -4.301
185 HE1 PHE 23 HE1 PHE 23 14.351 3.566 -6.379
186 HE2 PHE 23 HE2 PHE 23 11.072 0.819 -6.769
187 HZ PHE 23 HZ PHE 23 12.828 2.228 -7.807
188 H TYR 24 H TYR 24 15.150 0.596 -0.007
189 HA TYR 24 HA TYR 24 15.610 3.327 1.084
190 HB2 TYR 24 HB2 TYR 24 13.633 1.724 2.074
191 HB3 TYR 24 HB3 TYR 24 14.987 1.229 3.087
192 HD1 TYR 24 HD1 TYR 24 13.038 4.181 1.916
193 HD2 TYR 24 HD2 TYR 24 15.819 2.646 4.807
194 HE1 TYR 24 HE1 TYR 24 12.788 6.252 3.256
195 HE2 TYR 24 HE2 TYR 24 15.568 4.717 6.147
196 HH TYR 24 HH TYR 24 14.683 7.401 5.233
197 H LYS 25 H LYS 25 17.385 1.552 -0.335
198 HA LYS 25 HA LYS 25 19.294 0.755 1.846
199 HB2 LYS 25 HB2 LYS 25 18.654 -0.437 -0.866
200 HB3 LYS 25 HB3 LYS 25 20.082 -0.901 0.059
201 HG2 LYS 25 HG2 LYS 25 18.796 -1.826 1.812
202 HG3 LYS 25 HG3 LYS 25 17.332 -0.984 1.301
203 HD2 LYS 25 HD2 LYS 25 17.373 -2.345 -0.817
204 HD3 LYS 25 HD3 LYS 25 18.708 -3.273 -0.133
205 HE2 LYS 25 HE2 LYS 25 16.438 -3.032 1.721
206 HE3 LYS 25 HE3 LYS 25 16.023 -3.874 0.216
207 HZ1 LYS 25 HZ1 LYS 25 17.997 -5.253 0.481
208 HZ2 LYS 25 HZ2 LYS 25 16.982 -5.406 1.835
209 HZ3 LYS 25 HZ3 LYS 25 18.388 -4.458 1.928
Start of MODEL 8
1 HA HIS 1 HA HIS 1 -22.732 0.970 4.049
2 HB2 HIS 1 HB2 HIS 1 -24.343 2.976 4.032
3 HB3 HIS 1 HB3 HIS 1 -22.948 3.957 3.581
4 HD1 HIS 1 HD1 HIS 1 -21.721 3.258 1.297
5 HD2 HIS 1 HD2 HIS 1 -25.456 1.515 1.927
6 HE1 HIS 1 HE1 HIS 1 -22.471 2.341 -0.941
7 H ALA 2 H ALA 2 -20.377 0.630 4.925
8 HA ALA 2 HA ALA 2 -18.524 1.930 3.037
9 HB1 ALA 2 HB1 ALA 2 -18.583 2.433 6.009
10 HB2 ALA 2 HB2 ALA 2 -18.422 3.601 4.698
11 HB3 ALA 2 HB3 ALA 2 -17.066 2.554 5.118
12 H TRP 3 H TRP 3 -17.363 0.189 2.310
13 HA TRP 3 HA TRP 3 -16.091 -1.640 4.261
14 HB2 TRP 3 HB2 TRP 3 -17.106 -3.631 3.157
15 HB3 TRP 3 HB3 TRP 3 -18.322 -2.596 3.901
16 HD1 TRP 3 HD1 TRP 3 -16.917 -3.599 0.481
17 HE1 TRP 3 HE1 TRP 3 -18.634 -2.963 -1.335
18 HE3 TRP 3 HE3 TRP 3 -20.300 -1.037 3.321
19 HZ2 TRP 3 HZ2 TRP 3 -21.113 -1.556 -1.553
20 HZ3 TRP 3 HZ3 TRP 3 -22.329 -0.061 2.285
21 HH2 TRP 3 HH2 TRP 3 -22.739 -0.319 -0.146
22 H TYR 4 H TYR 4 -15.254 0.320 2.069
23 HA TYR 4 HA TYR 4 -13.623 -1.617 0.459
24 HB2 TYR 4 HB2 TYR 4 -13.853 -0.084 -1.421
25 HB3 TYR 4 HB3 TYR 4 -15.455 -0.456 -0.793
26 HD1 TYR 4 HD1 TYR 4 -16.743 1.228 0.469
27 HD2 TYR 4 HD2 TYR 4 -12.872 2.133 -1.160
28 HE1 TYR 4 HE1 TYR 4 -17.168 3.648 0.800
29 HE2 TYR 4 HE2 TYR 4 -13.297 4.552 -0.827
30 HH TYR 4 HH TYR 4 -15.735 5.983 -0.660
31 H SER 5 H SER 5 -13.158 0.138 3.029
32 HA SER 5 HA SER 5 -11.052 2.003 2.228
33 HB2 SER 5 HB2 SER 5 -10.832 2.252 4.688
34 HB3 SER 5 HB3 SER 5 -12.515 2.357 4.176
35 HG SER 5 HG SER 5 -12.429 0.949 5.890
36 H HIS 6 H HIS 6 -11.190 -1.387 2.906
37 HA HIS 6 HA HIS 6 -8.430 -1.680 3.810
38 HB2 HIS 6 HB2 HIS 6 -10.435 -3.185 4.299
39 HB3 HIS 6 HB3 HIS 6 -10.296 -3.760 2.638
40 HD1 HIS 6 HD1 HIS 6 -9.358 -6.081 2.964
41 HD2 HIS 6 HD2 HIS 6 -7.235 -3.210 5.119
42 HE1 HIS 6 HE1 HIS 6 -7.331 -7.258 3.926
43 H TYR 7 H TYR 7 -10.126 -1.812 0.721
44 HA TYR 7 HA TYR 7 -8.052 -3.032 -0.842
45 HB2 TYR 7 HB2 TYR 7 -10.212 -1.023 -1.569
46 HB3 TYR 7 HB3 TYR 7 -9.307 -1.989 -2.732
47 HD1 TYR 7 HD1 TYR 7 -9.203 -4.641 -1.852
48 HD2 TYR 7 HD2 TYR 7 -12.361 -1.805 -1.188
49 HE1 TYR 7 HE1 TYR 7 -10.813 -6.503 -1.547
50 HE2 TYR 7 HE2 TYR 7 -13.970 -3.668 -0.883
51 HH TYR 7 HH TYR 7 -13.544 -6.645 -1.886
52 H VAL 8 H VAL 8 -8.858 0.399 -0.279
53 HA VAL 8 HA VAL 8 -6.636 1.466 -1.762
54 HB VAL 8 HB VAL 8 -8.724 2.680 -1.087
55 HG11 VAL 8 HG11 VAL 8 -9.007 1.893 1.178
56 HG12 VAL 8 HG12 VAL 8 -8.752 3.635 1.244
57 HG13 VAL 8 HG13 VAL 8 -7.435 2.537 1.652
58 HG21 VAL 8 HG21 VAL 8 -7.633 4.805 -0.629
59 HG22 VAL 8 HG22 VAL 8 -6.627 3.881 -1.744
60 HG23 VAL 8 HG23 VAL 8 -6.192 3.978 -0.037
61 H LEU 9 H LEU 9 -6.961 0.216 1.503
62 HA LEU 9 HA LEU 9 -4.454 1.304 2.518
63 HB2 LEU 9 HB2 LEU 9 -6.635 0.381 3.694
64 HB3 LEU 9 HB3 LEU 9 -5.814 -1.173 3.551
65 HG LEU 9 HG LEU 9 -3.775 0.035 4.592
66 HD11 LEU 9 HD11 LEU 9 -4.504 2.321 4.410
67 HD12 LEU 9 HD12 LEU 9 -4.520 1.915 6.125
68 HD13 LEU 9 HD13 LEU 9 -6.030 1.960 5.215
69 HD21 LEU 9 HD21 LEU 9 -6.330 -0.663 6.044
70 HD22 LEU 9 HD22 LEU 9 -4.879 -0.185 6.924
71 HD23 LEU 9 HD23 LEU 9 -4.856 -1.620 5.899
72 H LYS 10 H LYS 10 -5.492 -1.734 0.970
73 HA LYS 10 HA LYS 10 -3.054 -3.215 1.360
74 HB2 LYS 10 HB2 LYS 10 -5.279 -4.137 0.707
75 HB3 LYS 10 HB3 LYS 10 -5.127 -3.344 -0.861
76 HG2 LYS 10 HG2 LYS 10 -3.607 -4.865 -1.633
77 HG3 LYS 10 HG3 LYS 10 -2.826 -5.034 -0.061
78 HD2 LYS 10 HD2 LYS 10 -4.766 -6.377 0.731
79 HD3 LYS 10 HD3 LYS 10 -5.476 -6.261 -0.878
80 HE2 LYS 10 HE2 LYS 10 -4.349 -8.345 -0.941
81 HE3 LYS 10 HE3 LYS 10 -3.179 -7.242 -1.691
82 HZ1 LYS 10 HZ1 LYS 10 -2.015 -7.004 0.326
83 HZ2 LYS 10 HZ2 LYS 10 -2.302 -8.671 0.184
84 HZ3 LYS 10 HZ3 LYS 10 -3.248 -7.731 1.235
85 H PHE 11 H PHE 11 -4.187 -1.079 -1.273
86 HA PHE 11 HA PHE 11 -1.943 -1.438 -3.030
87 HB2 PHE 11 HB2 PHE 11 -4.229 -0.417 -3.492
88 HB3 PHE 11 HB3 PHE 11 -3.673 1.028 -2.648
89 HD1 PHE 11 HD1 PHE 11 -1.928 2.457 -3.596
90 HD2 PHE 11 HD2 PHE 11 -3.280 -1.062 -5.657
91 HE1 PHE 11 HE1 PHE 11 -0.804 3.237 -5.664
92 HE2 PHE 11 HE2 PHE 11 -2.156 -0.282 -7.725
93 HZ PHE 11 HZ PHE 11 -0.919 1.867 -7.730
94 H PHE 12 H PHE 12 -2.618 0.991 -0.481
95 HA PHE 12 HA PHE 12 -0.226 2.529 -0.797
96 HB2 PHE 12 HB2 PHE 12 -2.483 2.294 0.989
97 HB3 PHE 12 HB3 PHE 12 -1.009 2.484 1.938
98 HD1 PHE 12 HD1 PHE 12 0.556 4.412 1.415
99 HD2 PHE 12 HD2 PHE 12 -3.401 4.118 -0.234
100 HE1 PHE 12 HE1 PHE 12 0.611 6.826 0.851
101 HE2 PHE 12 HE2 PHE 12 -3.345 6.533 -0.797
102 HZ PHE 12 HZ PHE 12 -1.339 7.887 -0.254
103 H LEU 13 H LEU 13 -0.943 -0.331 1.238
104 HA LEU 13 HA LEU 13 1.675 -0.420 2.484
105 HB2 LEU 13 HB2 LEU 13 -0.616 -1.471 3.154
106 HB3 LEU 13 HB3 LEU 13 -0.168 -2.772 2.048
107 HG LEU 13 HG LEU 13 2.088 -2.791 3.351
108 HD11 LEU 13 HD11 LEU 13 1.903 -0.819 4.667
109 HD12 LEU 13 HD12 LEU 13 1.633 -2.145 5.797
110 HD13 LEU 13 HD13 LEU 13 0.264 -1.221 5.180
111 HD21 LEU 13 HD21 LEU 13 0.625 -4.673 3.504
112 HD22 LEU 13 HD22 LEU 13 -0.560 -3.766 4.446
113 HD23 LEU 13 HD23 LEU 13 0.983 -4.217 5.170
114 H LEU 14 H LEU 14 0.330 -1.692 -0.522
115 HA LEU 14 HA LEU 14 2.531 -3.525 -1.059
116 HB2 LEU 14 HB2 LEU 14 0.023 -3.423 -1.884
117 HB3 LEU 14 HB3 LEU 14 0.680 -2.366 -3.130
118 HG LEU 14 HG LEU 14 0.558 -4.799 -3.783
119 HD11 LEU 14 HD11 LEU 14 2.356 -2.954 -4.497
120 HD12 LEU 14 HD12 LEU 14 2.446 -4.614 -5.082
121 HD13 LEU 14 HD13 LEU 14 3.457 -4.100 -3.732
122 HD21 LEU 14 HD21 LEU 14 1.289 -5.511 -1.394
123 HD22 LEU 14 HD22 LEU 14 2.930 -5.196 -1.959
124 HD23 LEU 14 HD23 LEU 14 1.941 -6.416 -2.760
125 H VAL 15 H VAL 15 1.705 -0.206 -1.977
126 HA VAL 15 HA VAL 15 4.156 0.010 -3.650
127 HB VAL 15 HB VAL 15 1.802 1.848 -3.079
128 HG11 VAL 15 HG11 VAL 15 4.252 2.187 -4.817
129 HG12 VAL 15 HG12 VAL 15 3.601 3.303 -3.617
130 HG13 VAL 15 HG13 VAL 15 2.754 3.061 -5.144
131 HG21 VAL 15 HG21 VAL 15 0.812 0.956 -4.930
132 HG22 VAL 15 HG22 VAL 15 1.887 -0.410 -4.633
133 HG23 VAL 15 HG23 VAL 15 2.339 0.830 -5.802
134 H PHE 16 H PHE 16 2.613 2.006 -1.085
135 HA PHE 16 HA PHE 16 5.030 3.442 -0.438
136 HB2 PHE 16 HB2 PHE 16 2.439 3.860 -0.024
137 HB3 PHE 16 HB3 PHE 16 2.778 3.049 1.504
138 HD1 PHE 16 HD1 PHE 16 4.505 3.978 3.060
139 HD2 PHE 16 HD2 PHE 16 3.235 6.080 -0.465
140 HE1 PHE 16 HE1 PHE 16 5.486 6.072 3.955
141 HE2 PHE 16 HE2 PHE 16 4.215 8.174 0.431
142 HZ PHE 16 HZ PHE 16 5.341 8.169 2.641
143 H GLY 17 H GLY 17 3.540 0.477 0.871
144 HA2 GLY 17 HA2 GLY 17 5.171 0.267 3.222
145 HA3 GLY 17 HA3 GLY 17 4.357 -1.082 2.431
146 H GLU 18 H GLU 18 5.576 -1.083 -0.070
147 HA GLU 18 HA GLU 18 8.034 -2.456 0.402
148 HB2 GLU 18 HB2 GLU 18 6.549 -2.688 -1.586
149 HB3 GLU 18 HB3 GLU 18 7.005 -1.064 -2.096
150 HG2 GLU 18 HG2 GLU 18 8.358 -2.655 -3.332
151 HG3 GLU 18 HG3 GLU 18 9.400 -1.829 -2.174
152 H ASN 19 H ASN 19 7.367 0.906 -0.513
153 HA ASN 19 HA ASN 19 10.097 1.731 -0.899
154 HB2 ASN 19 HB2 ASN 19 7.435 3.015 -0.385
155 HB3 ASN 19 HB3 ASN 19 8.883 4.012 -0.259
156 HD21 ASN 19 HD21 ASN 19 6.861 2.180 -2.512
157 HD22 ASN 19 HD22 ASN 19 7.623 2.735 -3.923
158 H GLY 20 H GLY 20 7.995 1.541 1.935
159 HA2 GLY 20 HA2 GLY 20 9.869 2.896 3.712
160 HA3 GLY 20 HA3 GLY 20 8.411 2.036 4.207
161 H VAL 21 H VAL 21 9.087 -0.479 2.904
162 HA VAL 21 HA VAL 21 10.636 -1.719 4.984
163 HB VAL 21 HB VAL 21 9.641 -2.525 2.247
164 HG11 VAL 21 HG11 VAL 21 10.169 -4.914 3.241
165 HG12 VAL 21 HG12 VAL 21 11.398 -4.041 4.156
166 HG13 VAL 21 HG13 VAL 21 11.425 -4.017 2.392
167 HG21 VAL 21 HG21 VAL 21 8.885 -3.509 5.012
168 HG22 VAL 21 HG22 VAL 21 8.011 -3.776 3.504
169 HG23 VAL 21 HG23 VAL 21 8.074 -2.162 4.212
170 H PHE 22 H PHE 22 11.606 -0.112 2.059
171 HA PHE 22 HA PHE 22 13.720 0.205 1.059
172 HB2 PHE 22 HB2 PHE 22 13.927 0.631 3.702
173 HB3 PHE 22 HB3 PHE 22 15.011 -0.754 3.582
174 HD1 PHE 22 HD1 PHE 22 14.358 2.676 2.296
175 HD2 PHE 22 HD2 PHE 22 17.171 -0.561 2.572
176 HE1 PHE 22 HE1 PHE 22 16.142 4.148 1.401
177 HE2 PHE 22 HE2 PHE 22 18.953 0.913 1.676
178 HZ PHE 22 HZ PHE 22 18.439 3.267 1.091
179 H PHE 23 H PHE 23 12.439 -2.469 0.907
180 HA PHE 23 HA PHE 23 12.946 -4.636 0.145
181 HB2 PHE 23 HB2 PHE 23 15.204 -2.856 -0.634
182 HB3 PHE 23 HB3 PHE 23 15.493 -4.590 -0.773
183 HD1 PHE 23 HD1 PHE 23 14.110 -5.989 -2.257
184 HD2 PHE 23 HD2 PHE 23 13.550 -1.736 -2.019
185 HE1 PHE 23 HE1 PHE 23 12.763 -6.049 -4.338
186 HE2 PHE 23 HE2 PHE 23 12.202 -1.796 -4.099
187 HZ PHE 23 HZ PHE 23 11.807 -3.954 -5.257
188 H TYR 24 H TYR 24 13.342 -4.089 2.974
189 HA TYR 24 HA TYR 24 15.735 -5.739 3.666
190 HB2 TYR 24 HB2 TYR 24 14.875 -3.353 4.603
191 HB3 TYR 24 HB3 TYR 24 14.024 -4.418 5.719
192 HD1 TYR 24 HD1 TYR 24 17.362 -3.451 4.421
193 HD2 TYR 24 HD2 TYR 24 15.205 -5.685 7.389
194 HE1 TYR 24 HE1 TYR 24 19.464 -3.796 5.689
195 HE2 TYR 24 HE2 TYR 24 17.308 -6.030 8.657
196 HH TYR 24 HH TYR 24 19.789 -4.399 8.578
197 H LYS 25 H LYS 25 13.613 -7.167 2.521
198 HA LYS 25 HA LYS 25 11.845 -8.254 4.600
199 HB2 LYS 25 HB2 LYS 25 12.407 -8.735 1.678
200 HB3 LYS 25 HB3 LYS 25 11.402 -9.868 2.581
201 HG2 LYS 25 HG2 LYS 25 9.681 -8.471 2.119
202 HG3 LYS 25 HG3 LYS 25 10.382 -7.404 3.335
203 HD2 LYS 25 HD2 LYS 25 10.113 -6.065 1.372
204 HD3 LYS 25 HD3 LYS 25 11.832 -6.442 1.467
205 HE2 LYS 25 HE2 LYS 25 11.509 -7.057 -0.734
206 HE3 LYS 25 HE3 LYS 25 10.962 -8.573 0.005
207 HZ1 LYS 25 HZ1 LYS 25 9.245 -6.235 -0.662
208 HZ2 LYS 25 HZ2 LYS 25 8.712 -7.654 0.108
209 HZ3 LYS 25 HZ3 LYS 25 9.274 -7.712 -1.494
Start of MODEL 9
1 HA HIS 1 HA HIS 1 -21.801 2.713 -1.389
2 HB2 HIS 1 HB2 HIS 1 -20.378 1.979 -3.933
3 HB3 HIS 1 HB3 HIS 1 -21.982 1.311 -3.632
4 HD1 HIS 1 HD1 HIS 1 -20.277 4.349 -4.768
5 HD2 HIS 1 HD2 HIS 1 -24.012 3.419 -3.168
6 HE1 HIS 1 HE1 HIS 1 -21.772 6.340 -5.235
7 H ALA 2 H ALA 2 -19.551 0.177 -2.609
8 HA ALA 2 HA ALA 2 -20.961 -1.840 -0.935
9 HB1 ALA 2 HB1 ALA 2 -20.375 -2.081 -3.414
10 HB2 ALA 2 HB2 ALA 2 -19.866 -3.415 -2.379
11 HB3 ALA 2 HB3 ALA 2 -18.691 -2.211 -2.907
12 H TRP 3 H TRP 3 -19.205 -3.600 -0.106
13 HA TRP 3 HA TRP 3 -17.535 -2.178 1.855
14 HB2 TRP 3 HB2 TRP 3 -18.306 -5.037 1.259
15 HB3 TRP 3 HB3 TRP 3 -17.069 -4.672 2.461
16 HD1 TRP 3 HD1 TRP 3 -17.866 -2.928 4.467
17 HE1 TRP 3 HE1 TRP 3 -20.153 -2.776 5.650
18 HE3 TRP 3 HE3 TRP 3 -20.786 -5.370 1.061
19 HZ2 TRP 3 HZ2 TRP 3 -22.862 -3.585 5.209
20 HZ3 TRP 3 HZ3 TRP 3 -23.212 -5.665 1.467
21 HH2 TRP 3 HH2 TRP 3 -24.253 -4.776 3.535
22 H TYR 4 H TYR 4 -16.237 -1.292 -0.145
23 HA TYR 4 HA TYR 4 -13.943 -3.159 -0.656
24 HB2 TYR 4 HB2 TYR 4 -15.738 -2.532 -2.524
25 HB3 TYR 4 HB3 TYR 4 -14.768 -1.062 -2.638
26 HD1 TYR 4 HD1 TYR 4 -14.700 -4.756 -2.933
27 HD2 TYR 4 HD2 TYR 4 -12.535 -1.094 -3.543
28 HE1 TYR 4 HE1 TYR 4 -12.996 -5.983 -4.253
29 HE2 TYR 4 HE2 TYR 4 -10.833 -2.322 -4.862
30 HH TYR 4 HH TYR 4 -11.212 -5.076 -6.249
31 H SER 5 H SER 5 -13.847 -1.443 1.511
32 HA SER 5 HA SER 5 -12.346 0.976 0.617
33 HB2 SER 5 HB2 SER 5 -14.351 0.902 2.283
34 HB3 SER 5 HB3 SER 5 -13.169 0.286 3.434
35 HG SER 5 HG SER 5 -12.572 2.280 3.671
36 H HIS 6 H HIS 6 -11.894 -2.143 2.083
37 HA HIS 6 HA HIS 6 -9.350 -1.497 3.384
38 HB2 HIS 6 HB2 HIS 6 -11.144 -3.318 3.927
39 HB3 HIS 6 HB3 HIS 6 -10.355 -4.247 2.653
40 HD1 HIS 6 HD1 HIS 6 -9.942 -5.717 5.058
41 HD2 HIS 6 HD2 HIS 6 -7.588 -2.347 4.349
42 HE1 HIS 6 HE1 HIS 6 -7.895 -5.948 6.531
43 H TYR 7 H TYR 7 -10.383 -2.773 0.270
44 HA TYR 7 HA TYR 7 -7.906 -3.868 -0.634
45 HB2 TYR 7 HB2 TYR 7 -10.348 -2.672 -1.938
46 HB3 TYR 7 HB3 TYR 7 -8.998 -3.238 -2.919
47 HD1 TYR 7 HD1 TYR 7 -8.240 -5.640 -2.716
48 HD2 TYR 7 HD2 TYR 7 -11.872 -4.202 -0.926
49 HE1 TYR 7 HE1 TYR 7 -9.053 -7.972 -2.492
50 HE2 TYR 7 HE2 TYR 7 -12.684 -6.534 -0.700
51 HH TYR 7 HH TYR 7 -10.760 -9.175 -0.890
52 H VAL 8 H VAL 8 -9.286 -0.614 -1.184
53 HA VAL 8 HA VAL 8 -7.028 0.463 -2.562
54 HB VAL 8 HB VAL 8 -9.369 1.398 -2.417
55 HG11 VAL 8 HG11 VAL 8 -10.062 2.649 -0.500
56 HG12 VAL 8 HG12 VAL 8 -8.462 2.540 0.234
57 HG13 VAL 8 HG13 VAL 8 -9.477 1.104 0.111
58 HG21 VAL 8 HG21 VAL 8 -7.380 2.725 -3.207
59 HG22 VAL 8 HG22 VAL 8 -7.219 3.363 -1.570
60 HG23 VAL 8 HG23 VAL 8 -8.667 3.714 -2.516
61 H LEU 9 H LEU 9 -7.713 0.069 0.877
62 HA LEU 9 HA LEU 9 -5.553 1.742 1.855
63 HB2 LEU 9 HB2 LEU 9 -7.671 0.897 3.047
64 HB3 LEU 9 HB3 LEU 9 -6.831 -0.645 3.218
65 HG LEU 9 HG LEU 9 -5.238 1.708 4.025
66 HD11 LEU 9 HD11 LEU 9 -6.430 1.909 6.209
67 HD12 LEU 9 HD12 LEU 9 -7.709 0.874 5.575
68 HD13 LEU 9 HD13 LEU 9 -7.413 2.454 4.850
69 HD21 LEU 9 HD21 LEU 9 -4.815 -0.858 4.302
70 HD22 LEU 9 HD22 LEU 9 -5.913 -0.721 5.675
71 HD23 LEU 9 HD23 LEU 9 -4.419 0.214 5.644
72 H LYS 10 H LYS 10 -5.900 -1.740 1.121
73 HA LYS 10 HA LYS 10 -3.343 -2.604 2.090
74 HB2 LYS 10 HB2 LYS 10 -5.603 -3.599 0.589
75 HB3 LYS 10 HB3 LYS 10 -4.110 -4.122 -0.191
76 HG2 LYS 10 HG2 LYS 10 -4.220 -5.803 1.354
77 HG3 LYS 10 HG3 LYS 10 -3.463 -4.599 2.397
78 HD2 LYS 10 HD2 LYS 10 -5.499 -4.052 3.453
79 HD3 LYS 10 HD3 LYS 10 -6.465 -4.760 2.157
80 HE2 LYS 10 HE2 LYS 10 -4.715 -6.779 3.288
81 HE3 LYS 10 HE3 LYS 10 -5.695 -6.027 4.563
82 HZ1 LYS 10 HZ1 LYS 10 -6.788 -6.951 1.956
83 HZ2 LYS 10 HZ2 LYS 10 -7.671 -6.390 3.295
84 HZ3 LYS 10 HZ3 LYS 10 -6.843 -7.871 3.380
85 H PHE 11 H PHE 11 -4.380 -1.361 -1.097
86 HA PHE 11 HA PHE 11 -1.896 -1.737 -2.484
87 HB2 PHE 11 HB2 PHE 11 -3.896 -1.298 -3.715
88 HB3 PHE 11 HB3 PHE 11 -4.267 0.130 -2.752
89 HD1 PHE 11 HD1 PHE 11 -1.588 -1.222 -5.011
90 HD2 PHE 11 HD2 PHE 11 -3.699 2.237 -3.584
91 HE1 PHE 11 HE1 PHE 11 -0.359 0.198 -6.631
92 HE2 PHE 11 HE2 PHE 11 -2.471 3.656 -5.204
93 HZ PHE 11 HZ PHE 11 -0.800 2.638 -6.727
94 H PHE 12 H PHE 12 -3.190 1.030 -0.618
95 HA PHE 12 HA PHE 12 -1.055 2.870 -1.056
96 HB2 PHE 12 HB2 PHE 12 -3.245 2.409 0.906
97 HB3 PHE 12 HB3 PHE 12 -1.937 3.459 1.449
98 HD1 PHE 12 HD1 PHE 12 -3.881 2.898 -1.725
99 HD2 PHE 12 HD2 PHE 12 -2.263 5.728 1.074
100 HE1 PHE 12 HE1 PHE 12 -4.811 4.760 -3.070
101 HE2 PHE 12 HE2 PHE 12 -3.195 7.590 -0.272
102 HZ PHE 12 HZ PHE 12 -4.468 7.106 -2.343
103 H LEU 13 H LEU 13 -1.476 0.328 1.416
104 HA LEU 13 HA LEU 13 0.941 0.892 2.887
105 HB2 LEU 13 HB2 LEU 13 -1.206 -0.525 3.416
106 HB3 LEU 13 HB3 LEU 13 -0.330 -1.830 2.616
107 HG LEU 13 HG LEU 13 1.051 -0.218 4.743
108 HD11 LEU 13 HD11 LEU 13 0.148 -1.539 6.498
109 HD12 LEU 13 HD12 LEU 13 -0.600 -2.669 5.369
110 HD13 LEU 13 HD13 LEU 13 -1.250 -1.039 5.545
111 HD21 LEU 13 HD21 LEU 13 1.290 -2.918 3.452
112 HD22 LEU 13 HD22 LEU 13 1.904 -2.704 5.092
113 HD23 LEU 13 HD23 LEU 13 2.545 -1.721 3.775
114 H LEU 14 H LEU 14 0.195 -1.225 0.120
115 HA LEU 14 HA LEU 14 2.714 -2.594 -0.005
116 HB2 LEU 14 HB2 LEU 14 0.264 -2.667 -1.273
117 HB3 LEU 14 HB3 LEU 14 1.310 -2.041 -2.543
118 HG LEU 14 HG LEU 14 1.244 -4.488 -2.646
119 HD11 LEU 14 HD11 LEU 14 3.377 -3.284 -3.167
120 HD12 LEU 14 HD12 LEU 14 3.633 -4.931 -2.591
121 HD13 LEU 14 HD13 LEU 14 3.899 -3.566 -1.506
122 HD21 LEU 14 HD21 LEU 14 2.461 -4.491 0.129
123 HD22 LEU 14 HD22 LEU 14 1.914 -5.881 -0.808
124 HD23 LEU 14 HD23 LEU 14 0.739 -4.735 -0.163
125 H VAL 15 H VAL 15 1.610 0.506 -1.291
126 HA VAL 15 HA VAL 15 3.888 0.990 -3.015
127 HB VAL 15 HB VAL 15 1.848 2.813 -1.689
128 HG11 VAL 15 HG11 VAL 15 3.793 4.122 -2.360
129 HG12 VAL 15 HG12 VAL 15 2.483 4.416 -3.504
130 HG13 VAL 15 HG13 VAL 15 3.813 3.342 -3.941
131 HG21 VAL 15 HG21 VAL 15 1.747 2.311 -4.592
132 HG22 VAL 15 HG22 VAL 15 0.444 2.300 -3.403
133 HG23 VAL 15 HG23 VAL 15 1.461 0.874 -3.609
134 H PHE 16 H PHE 16 3.031 2.240 0.248
135 HA PHE 16 HA PHE 16 5.582 3.582 0.623
136 HB2 PHE 16 HB2 PHE 16 3.188 3.888 1.693
137 HB3 PHE 16 HB3 PHE 16 3.770 2.694 2.852
138 HD1 PHE 16 HD1 PHE 16 5.677 3.184 4.325
139 HD2 PHE 16 HD2 PHE 16 4.176 6.113 1.566
140 HE1 PHE 16 HE1 PHE 16 6.949 4.951 5.509
141 HE2 PHE 16 HE2 PHE 16 5.448 7.881 2.751
142 HZ PHE 16 HZ PHE 16 6.834 7.300 4.724
143 H GLY 17 H GLY 17 4.257 0.425 1.631
144 HA2 GLY 17 HA2 GLY 17 6.408 -0.333 3.361
145 HA3 GLY 17 HA3 GLY 17 5.304 -1.453 2.566
146 H GLU 18 H GLU 18 5.863 -0.982 -0.126
147 HA GLU 18 HA GLU 18 8.219 -2.530 -0.567
148 HB2 GLU 18 HB2 GLU 18 6.198 -2.154 -2.076
149 HB3 GLU 18 HB3 GLU 18 6.909 -0.596 -2.499
150 HG2 GLU 18 HG2 GLU 18 8.966 -1.768 -3.263
151 HG3 GLU 18 HG3 GLU 18 8.197 -3.315 -2.901
152 H ASN 19 H ASN 19 7.696 0.976 -0.588
153 HA ASN 19 HA ASN 19 10.266 1.754 -1.590
154 HB2 ASN 19 HB2 ASN 19 8.004 2.963 -0.070
155 HB3 ASN 19 HB3 ASN 19 9.540 3.829 -0.030
156 HD21 ASN 19 HD21 ASN 19 6.934 2.729 -2.176
157 HD22 ASN 19 HD22 ASN 19 7.409 3.663 -3.511
158 H GLY 20 H GLY 20 9.141 0.882 1.638
159 HA2 GLY 20 HA2 GLY 20 11.671 1.670 2.911
160 HA3 GLY 20 HA3 GLY 20 10.304 0.896 3.714
161 H VAL 21 H VAL 21 10.001 -1.346 1.980
162 HA VAL 21 HA VAL 21 11.951 -3.157 3.073
163 HB VAL 21 HB VAL 21 9.919 -3.338 0.830
164 HG11 VAL 21 HG11 VAL 21 10.189 -5.847 1.191
165 HG12 VAL 21 HG12 VAL 21 11.674 -5.476 2.068
166 HG13 VAL 21 HG13 VAL 21 11.529 -5.056 0.361
167 HG21 VAL 21 HG21 VAL 21 9.804 -4.693 3.519
168 HG22 VAL 21 HG22 VAL 21 8.477 -4.257 2.442
169 HG23 VAL 21 HG23 VAL 21 9.318 -3.006 3.357
170 H PHE 22 H PHE 22 11.789 -1.390 0.025
171 HA PHE 22 HA PHE 22 13.978 -2.886 -1.225
172 HB2 PHE 22 HB2 PHE 22 12.188 -0.579 -1.852
173 HB3 PHE 22 HB3 PHE 22 13.697 -0.701 -2.754
174 HD1 PHE 22 HD1 PHE 22 10.967 -3.001 -1.558
175 HD2 PHE 22 HD2 PHE 22 13.614 -1.882 -4.752
176 HE1 PHE 22 HE1 PHE 22 9.972 -4.757 -2.998
177 HE2 PHE 22 HE2 PHE 22 12.617 -3.638 -6.190
178 HZ PHE 22 HZ PHE 22 10.797 -5.075 -5.314
179 H PHE 23 H PHE 23 14.024 -0.734 1.297
180 HA PHE 23 HA PHE 23 16.619 0.503 0.441
181 HB2 PHE 23 HB2 PHE 23 14.238 1.376 2.008
182 HB3 PHE 23 HB3 PHE 23 15.802 1.951 2.584
183 HD1 PHE 23 HD1 PHE 23 13.947 1.522 -0.659
184 HD2 PHE 23 HD2 PHE 23 16.631 3.928 1.677
185 HE1 PHE 23 HE1 PHE 23 13.988 3.223 -2.461
186 HE2 PHE 23 HE2 PHE 23 16.672 5.629 -0.127
187 HZ PHE 23 HZ PHE 23 15.352 5.277 -2.195
188 H TYR 24 H TYR 24 16.297 -2.228 1.563
189 HA TYR 24 HA TYR 24 18.168 -1.956 3.844
190 HB2 TYR 24 HB2 TYR 24 15.477 -2.062 4.310
191 HB3 TYR 24 HB3 TYR 24 15.881 -3.777 4.340
192 HD1 TYR 24 HD1 TYR 24 18.027 -4.419 5.729
193 HD2 TYR 24 HD2 TYR 24 15.800 -0.781 6.241
194 HE1 TYR 24 HE1 TYR 24 18.980 -4.155 8.002
195 HE2 TYR 24 HE2 TYR 24 16.754 -0.519 8.515
196 HH TYR 24 HH TYR 24 17.888 -2.635 10.288
197 H LYS 25 H LYS 25 19.004 -2.919 1.499
198 HA LYS 25 HA LYS 25 19.106 -5.889 1.893
199 HB2 LYS 25 HB2 LYS 25 17.557 -4.914 0.027
200 HB3 LYS 25 HB3 LYS 25 19.066 -4.583 -0.825
201 HG2 LYS 25 HG2 LYS 25 19.694 -7.003 -0.492
202 HG3 LYS 25 HG3 LYS 25 18.071 -7.278 0.140
203 HD2 LYS 25 HD2 LYS 25 17.527 -7.699 -2.026
204 HD3 LYS 25 HD3 LYS 25 17.525 -5.942 -2.193
205 HE2 LYS 25 HE2 LYS 25 19.770 -5.925 -3.049
206 HE3 LYS 25 HE3 LYS 25 20.021 -7.623 -2.599
207 HZ1 LYS 25 HZ1 LYS 25 17.998 -6.630 -4.542
208 HZ2 LYS 25 HZ2 LYS 25 18.224 -8.254 -4.093
209 HZ3 LYS 25 HZ3 LYS 25 19.440 -7.427 -4.945
Start of MODEL 10
1 HA HIS 1 HA HIS 1 -19.360 -4.441 -3.121
2 HB2 HIS 1 HB2 HIS 1 -21.465 -6.085 -1.745
3 HB3 HIS 1 HB3 HIS 1 -21.860 -4.435 -2.224
4 HD1 HIS 1 HD1 HIS 1 -21.472 -7.836 -3.559
5 HD2 HIS 1 HD2 HIS 1 -21.497 -3.969 -5.117
6 HE1 HIS 1 HE1 HIS 1 -21.792 -8.073 -6.059
7 H ALA 2 H ALA 2 -20.599 -5.061 0.204
8 HA ALA 2 HA ALA 2 -20.310 -2.247 0.948
9 HB1 ALA 2 HB1 ALA 2 -21.137 -3.103 3.121
10 HB2 ALA 2 HB2 ALA 2 -20.886 -4.757 2.561
11 HB3 ALA 2 HB3 ALA 2 -22.099 -3.738 1.785
12 H TRP 3 H TRP 3 -18.930 -1.530 2.761
13 HA TRP 3 HA TRP 3 -16.813 -1.288 3.772
14 HB2 TRP 3 HB2 TRP 3 -17.994 -3.597 4.589
15 HB3 TRP 3 HB3 TRP 3 -16.499 -4.242 3.914
16 HD1 TRP 3 HD1 TRP 3 -14.263 -2.538 4.725
17 HE1 TRP 3 HE1 TRP 3 -13.704 -1.905 7.159
18 HE3 TRP 3 HE3 TRP 3 -18.802 -3.364 6.917
19 HZ2 TRP 3 HZ2 TRP 3 -15.008 -1.770 9.701
20 HZ3 TRP 3 HZ3 TRP 3 -19.115 -2.976 9.344
21 HH2 TRP 3 HH2 TRP 3 -17.225 -2.180 10.738
22 H TYR 4 H TYR 4 -16.726 -1.247 0.938
23 HA TYR 4 HA TYR 4 -14.519 -3.010 0.068
24 HB2 TYR 4 HB2 TYR 4 -14.979 -2.027 -2.115
25 HB3 TYR 4 HB3 TYR 4 -16.510 -2.433 -1.346
26 HD1 TYR 4 HD1 TYR 4 -14.192 0.355 -2.167
27 HD2 TYR 4 HD2 TYR 4 -18.094 -0.731 -0.732
28 HE1 TYR 4 HE1 TYR 4 -14.932 2.710 -2.392
29 HE2 TYR 4 HE2 TYR 4 -18.831 1.623 -0.956
30 HH TYR 4 HH TYR 4 -17.294 4.041 -0.948
31 H SER 5 H SER 5 -14.439 -0.417 2.003
32 HA SER 5 HA SER 5 -12.393 1.202 0.634
33 HB2 SER 5 HB2 SER 5 -14.297 1.941 2.224
34 HB3 SER 5 HB3 SER 5 -13.269 1.341 3.522
35 HG SER 5 HG SER 5 -12.047 3.033 3.287
36 H HIS 6 H HIS 6 -11.893 -1.744 1.492
37 HA HIS 6 HA HIS 6 -9.605 -1.291 3.360
38 HB2 HIS 6 HB2 HIS 6 -11.489 -3.518 2.717
39 HB3 HIS 6 HB3 HIS 6 -9.862 -3.963 3.230
40 HD1 HIS 6 HD1 HIS 6 -10.898 -4.870 5.493
41 HD2 HIS 6 HD2 HIS 6 -11.342 -0.767 4.901
42 HE1 HIS 6 HE1 HIS 6 -11.563 -3.890 7.731
43 H TYR 7 H TYR 7 -10.459 -2.574 0.176
44 HA TYR 7 HA TYR 7 -7.924 -3.731 -0.495
45 HB2 TYR 7 HB2 TYR 7 -10.116 -2.465 -2.176
46 HB3 TYR 7 HB3 TYR 7 -8.795 -3.426 -2.842
47 HD1 TYR 7 HD1 TYR 7 -8.495 -5.832 -1.973
48 HD2 TYR 7 HD2 TYR 7 -12.054 -3.512 -1.325
49 HE1 TYR 7 HE1 TYR 7 -9.760 -7.908 -1.485
50 HE2 TYR 7 HE2 TYR 7 -13.317 -5.589 -0.837
51 HH TYR 7 HH TYR 7 -12.352 -8.148 0.098
52 H VAL 8 H VAL 8 -9.247 -0.469 -1.000
53 HA VAL 8 HA VAL 8 -7.015 0.642 -2.393
54 HB VAL 8 HB VAL 8 -9.305 1.621 -2.190
55 HG11 VAL 8 HG11 VAL 8 -8.465 2.487 0.587
56 HG12 VAL 8 HG12 VAL 8 -9.487 1.079 0.294
57 HG13 VAL 8 HG13 VAL 8 -10.042 2.685 -0.176
58 HG21 VAL 8 HG21 VAL 8 -8.589 3.948 -1.978
59 HG22 VAL 8 HG22 VAL 8 -7.348 3.028 -2.827
60 HG23 VAL 8 HG23 VAL 8 -7.126 3.448 -1.130
61 H LEU 9 H LEU 9 -7.632 0.122 1.045
62 HA LEU 9 HA LEU 9 -5.423 1.709 2.048
63 HB2 LEU 9 HB2 LEU 9 -7.566 0.766 3.202
64 HB3 LEU 9 HB3 LEU 9 -6.632 -0.719 3.382
65 HG LEU 9 HG LEU 9 -5.354 1.860 4.210
66 HD11 LEU 9 HD11 LEU 9 -7.725 1.776 5.155
67 HD12 LEU 9 HD12 LEU 9 -6.428 1.875 6.345
68 HD13 LEU 9 HD13 LEU 9 -7.223 0.332 6.034
69 HD21 LEU 9 HD21 LEU 9 -5.181 -1.062 4.843
70 HD22 LEU 9 HD22 LEU 9 -4.709 0.087 6.095
71 HD23 LEU 9 HD23 LEU 9 -3.886 0.095 4.535
72 H LYS 10 H LYS 10 -5.828 -1.744 1.185
73 HA LYS 10 HA LYS 10 -3.226 -2.626 2.049
74 HB2 LYS 10 HB2 LYS 10 -5.342 -3.957 1.423
75 HB3 LYS 10 HB3 LYS 10 -4.850 -3.731 -0.257
76 HG2 LYS 10 HG2 LYS 10 -2.536 -4.641 0.563
77 HG3 LYS 10 HG3 LYS 10 -3.461 -5.274 1.924
78 HD2 LYS 10 HD2 LYS 10 -4.596 -5.763 -0.782
79 HD3 LYS 10 HD3 LYS 10 -3.126 -6.648 -0.375
80 HE2 LYS 10 HE2 LYS 10 -4.395 -8.108 0.803
81 HE3 LYS 10 HE3 LYS 10 -4.811 -6.789 1.914
82 HZ1 LYS 10 HZ1 LYS 10 -6.432 -6.086 0.077
83 HZ2 LYS 10 HZ2 LYS 10 -6.857 -7.421 1.035
84 HZ3 LYS 10 HZ3 LYS 10 -6.236 -7.658 -0.527
85 H PHE 11 H PHE 11 -4.430 -1.262 -1.013
86 HA PHE 11 HA PHE 11 -2.063 -1.698 -2.586
87 HB2 PHE 11 HB2 PHE 11 -4.206 -1.150 -3.583
88 HB3 PHE 11 HB3 PHE 11 -4.305 0.350 -2.662
89 HD1 PHE 11 HD1 PHE 11 -2.139 -1.412 -5.163
90 HD2 PHE 11 HD2 PHE 11 -3.506 2.347 -3.594
91 HE1 PHE 11 HE1 PHE 11 -0.929 -0.218 -6.968
92 HE2 PHE 11 HE2 PHE 11 -2.295 3.540 -5.400
93 HZ PHE 11 HZ PHE 11 -1.007 2.258 -7.087
94 H PHE 12 H PHE 12 -3.146 1.081 -0.600
95 HA PHE 12 HA PHE 12 -0.920 2.806 -1.126
96 HB2 PHE 12 HB2 PHE 12 -3.213 2.591 0.676
97 HB3 PHE 12 HB3 PHE 12 -1.816 3.301 1.485
98 HD1 PHE 12 HD1 PHE 12 -0.849 5.413 0.727
99 HD2 PHE 12 HD2 PHE 12 -4.249 3.688 -1.254
100 HE1 PHE 12 HE1 PHE 12 -1.255 7.561 -0.445
101 HE2 PHE 12 HE2 PHE 12 -4.654 5.836 -2.426
102 HZ PHE 12 HZ PHE 12 -3.158 7.772 -2.021
103 H LEU 13 H LEU 13 -1.490 0.408 1.472
104 HA LEU 13 HA LEU 13 1.005 0.815 2.853
105 HB2 LEU 13 HB2 LEU 13 -1.245 -0.429 3.456
106 HB3 LEU 13 HB3 LEU 13 -0.445 -1.820 2.724
107 HG LEU 13 HG LEU 13 1.570 -1.074 4.272
108 HD11 LEU 13 HD11 LEU 13 0.589 -0.241 6.472
109 HD12 LEU 13 HD12 LEU 13 -0.878 0.146 5.574
110 HD13 LEU 13 HD13 LEU 13 0.641 0.946 5.170
111 HD21 LEU 13 HD21 LEU 13 0.382 -3.232 4.410
112 HD22 LEU 13 HD22 LEU 13 -0.918 -2.465 5.320
113 HD23 LEU 13 HD23 LEU 13 0.693 -2.593 6.023
114 H LEU 14 H LEU 14 0.025 -1.316 0.172
115 HA LEU 14 HA LEU 14 2.358 -2.947 0.008
116 HB2 LEU 14 HB2 LEU 14 0.211 -3.328 -1.171
117 HB3 LEU 14 HB3 LEU 14 0.505 -1.897 -2.157
118 HG LEU 14 HG LEU 14 2.700 -3.032 -2.863
119 HD11 LEU 14 HD11 LEU 14 2.652 -5.520 -2.688
120 HD12 LEU 14 HD12 LEU 14 1.235 -5.393 -1.646
121 HD13 LEU 14 HD13 LEU 14 2.782 -4.736 -1.114
122 HD21 LEU 14 HD21 LEU 14 0.859 -2.869 -4.417
123 HD22 LEU 14 HD22 LEU 14 -0.009 -4.174 -3.607
124 HD23 LEU 14 HD23 LEU 14 1.472 -4.520 -4.501
125 H VAL 15 H VAL 15 1.592 0.179 -1.504
126 HA VAL 15 HA VAL 15 4.087 0.452 -2.948
127 HB VAL 15 HB VAL 15 1.920 2.362 -2.010
128 HG11 VAL 15 HG11 VAL 15 4.424 2.876 -3.614
129 HG12 VAL 15 HG12 VAL 15 3.776 3.802 -2.261
130 HG13 VAL 15 HG13 VAL 15 2.983 3.868 -3.834
131 HG21 VAL 15 HG21 VAL 15 1.064 2.175 -4.202
132 HG22 VAL 15 HG22 VAL 15 1.557 0.527 -3.814
133 HG23 VAL 15 HG23 VAL 15 2.580 1.535 -4.835
134 H PHE 16 H PHE 16 2.897 1.723 0.177
135 HA PHE 16 HA PHE 16 5.219 3.225 0.904
136 HB2 PHE 16 HB2 PHE 16 2.797 3.090 1.871
137 HB3 PHE 16 HB3 PHE 16 3.432 1.764 2.846
138 HD1 PHE 16 HD1 PHE 16 3.596 5.382 2.177
139 HD2 PHE 16 HD2 PHE 16 5.132 2.155 4.560
140 HE1 PHE 16 HE1 PHE 16 4.600 7.019 3.747
141 HE2 PHE 16 HE2 PHE 16 6.135 3.792 6.129
142 HZ PHE 16 HZ PHE 16 5.869 6.224 5.723
143 H GLY 17 H GLY 17 4.382 -0.203 1.336
144 HA2 GLY 17 HA2 GLY 17 6.581 -0.846 3.082
145 HA3 GLY 17 HA3 GLY 17 5.636 -2.008 2.150
146 H GLU 18 H GLU 18 6.232 -0.741 -0.454
147 HA GLU 18 HA GLU 18 8.612 -2.164 -1.132
148 HB2 GLU 18 HB2 GLU 18 6.827 -0.123 -2.406
149 HB3 GLU 18 HB3 GLU 18 8.360 -0.499 -3.194
150 HG2 GLU 18 HG2 GLU 18 7.780 -2.882 -3.244
151 HG3 GLU 18 HG3 GLU 18 6.271 -2.549 -2.394
152 H ASN 19 H ASN 19 8.249 1.402 -1.295
153 HA ASN 19 HA ASN 19 11.066 1.904 -1.319
154 HB2 ASN 19 HB2 ASN 19 10.370 4.237 -0.765
155 HB3 ASN 19 HB3 ASN 19 9.407 3.541 -2.064
156 HD21 ASN 19 HD21 ASN 19 7.172 3.666 -1.790
157 HD22 ASN 19 HD22 ASN 19 6.391 3.957 -0.313
158 H GLY 20 H GLY 20 8.851 1.237 1.295
159 HA2 GLY 20 HA2 GLY 20 10.471 2.261 3.454
160 HA3 GLY 20 HA3 GLY 20 9.181 1.066 3.615
161 H VAL 21 H VAL 21 10.167 -0.935 1.868
162 HA VAL 21 HA VAL 21 12.120 -2.243 3.576
163 HB VAL 21 HB VAL 21 10.852 -2.801 0.886
164 HG11 VAL 21 HG11 VAL 21 11.853 -5.163 1.286
165 HG12 VAL 21 HG12 VAL 21 13.002 -4.341 2.342
166 HG13 VAL 21 HG13 VAL 21 12.919 -3.919 0.632
167 HG21 VAL 21 HG21 VAL 21 10.625 -4.559 3.293
168 HG22 VAL 21 HG22 VAL 21 9.419 -4.180 2.062
169 HG23 VAL 21 HG23 VAL 21 9.780 -3.011 3.330
170 H PHE 22 H PHE 22 12.302 -0.274 0.686
171 HA PHE 22 HA PHE 22 14.919 -1.001 -0.226
172 HB2 PHE 22 HB2 PHE 22 13.007 0.391 -1.302
173 HB3 PHE 22 HB3 PHE 22 13.692 1.750 -0.413
174 HD1 PHE 22 HD1 PHE 22 15.933 2.604 -0.933
175 HD2 PHE 22 HD2 PHE 22 14.223 -0.664 -3.135
176 HE1 PHE 22 HE1 PHE 22 17.671 2.873 -2.683
177 HE2 PHE 22 HE2 PHE 22 15.961 -0.395 -4.885
178 HZ PHE 22 HZ PHE 22 17.685 1.374 -4.659
179 H PHE 23 H PHE 23 13.807 1.229 2.277
180 HA PHE 23 HA PHE 23 16.652 1.990 2.845
181 HB2 PHE 23 HB2 PHE 23 14.468 3.549 2.344
182 HB3 PHE 23 HB3 PHE 23 14.396 3.448 4.104
183 HD1 PHE 23 HD1 PHE 23 16.566 4.384 1.231
184 HD2 PHE 23 HD2 PHE 23 15.989 4.577 5.484
185 HE1 PHE 23 HE1 PHE 23 18.400 6.044 1.405
186 HE2 PHE 23 HE2 PHE 23 17.823 6.238 5.656
187 HZ PHE 23 HZ PHE 23 19.028 6.971 3.617
188 H TYR 24 H TYR 24 14.775 -0.397 3.812
189 HA TYR 24 HA TYR 24 15.764 -0.328 6.604
190 HB2 TYR 24 HB2 TYR 24 13.326 0.699 6.101
191 HB3 TYR 24 HB3 TYR 24 12.879 -0.999 6.239
192 HD1 TYR 24 HD1 TYR 24 13.565 -2.282 8.325
193 HD2 TYR 24 HD2 TYR 24 13.857 1.992 8.020
194 HE1 TYR 24 HE1 TYR 24 13.708 -2.116 10.795
195 HE2 TYR 24 HE2 TYR 24 14.000 2.159 10.491
196 HH TYR 24 HH TYR 24 14.868 0.054 12.424
197 H LYS 25 H LYS 25 16.949 -2.038 5.134
198 HA LYS 25 HA LYS 25 15.507 -4.655 5.416
199 HB2 LYS 25 HB2 LYS 25 15.716 -3.657 3.064
200 HB3 LYS 25 HB3 LYS 25 17.453 -3.920 3.214
201 HG2 LYS 25 HG2 LYS 25 16.608 -5.862 2.118
202 HG3 LYS 25 HG3 LYS 25 16.892 -6.350 3.789
203 HD2 LYS 25 HD2 LYS 25 14.314 -5.392 3.909
204 HD3 LYS 25 HD3 LYS 25 14.355 -6.126 2.307
205 HE2 LYS 25 HE2 LYS 25 15.458 -7.626 4.687
206 HE3 LYS 25 HE3 LYS 25 13.721 -7.654 4.324
207 HZ1 LYS 25 HZ1 LYS 25 14.781 -9.435 3.131
208 HZ2 LYS 25 HZ2 LYS 25 15.934 -8.375 2.472
209 HZ3 LYS 25 HZ3 LYS 25 14.302 -8.254 2.012
Start of MODEL 11
1 HA HIS 1 HA HIS 1 -16.276 1.503 6.683
2 HB2 HIS 1 HB2 HIS 1 -14.217 2.994 6.651
3 HB3 HIS 1 HB3 HIS 1 -14.057 2.614 4.936
4 HD1 HIS 1 HD1 HIS 1 -15.590 3.827 3.315
5 HD2 HIS 1 HD2 HIS 1 -16.663 4.457 7.295
6 HE1 HIS 1 HE1 HIS 1 -17.380 5.617 3.301
7 H ALA 2 H ALA 2 -17.873 1.123 5.182
8 HA ALA 2 HA ALA 2 -18.954 0.231 3.286
9 HB1 ALA 2 HB1 ALA 2 -16.437 1.025 1.818
10 HB2 ALA 2 HB2 ALA 2 -17.509 2.244 2.506
11 HB3 ALA 2 HB3 ALA 2 -18.108 1.139 1.269
12 H TRP 3 H TRP 3 -17.645 -0.962 0.959
13 HA TRP 3 HA TRP 3 -16.529 -3.464 2.196
14 HB2 TRP 3 HB2 TRP 3 -18.521 -2.947 -0.018
15 HB3 TRP 3 HB3 TRP 3 -17.671 -4.488 0.094
16 HD1 TRP 3 HD1 TRP 3 -18.228 -6.070 2.137
17 HE1 TRP 3 HE1 TRP 3 -20.192 -6.124 3.808
18 HE3 TRP 3 HE3 TRP 3 -20.216 -1.439 1.311
19 HZ2 TRP 3 HZ2 TRP 3 -22.322 -4.426 4.680
20 HZ3 TRP 3 HZ3 TRP 3 -22.210 -0.683 2.575
21 HH2 TRP 3 HH2 TRP 3 -23.264 -2.170 4.256
22 H TYR 4 H TYR 4 -16.674 -1.586 -0.853
23 HA TYR 4 HA TYR 4 -14.277 -2.852 -1.940
24 HB2 TYR 4 HB2 TYR 4 -14.729 -1.436 -3.834
25 HB3 TYR 4 HB3 TYR 4 -16.293 -1.951 -3.206
26 HD1 TYR 4 HD1 TYR 4 -13.888 0.867 -3.393
27 HD2 TYR 4 HD2 TYR 4 -17.819 -0.379 -2.184
28 HE1 TYR 4 HE1 TYR 4 -14.545 3.237 -3.079
29 HE2 TYR 4 HE2 TYR 4 -18.472 1.991 -1.869
30 HH TYR 4 HH TYR 4 -17.326 4.391 -3.089
31 H SER 5 H SER 5 -14.688 -0.418 0.387
32 HA SER 5 HA SER 5 -12.385 1.232 -0.425
33 HB2 SER 5 HB2 SER 5 -14.419 1.174 1.783
34 HB3 SER 5 HB3 SER 5 -12.974 2.161 1.974
35 HG SER 5 HG SER 5 -14.914 2.271 -0.098
36 H HIS 6 H HIS 6 -12.053 -1.746 0.322
37 HA HIS 6 HA HIS 6 -10.210 -1.437 2.656
38 HB2 HIS 6 HB2 HIS 6 -11.720 -3.728 1.396
39 HB3 HIS 6 HB3 HIS 6 -10.389 -4.026 2.513
40 HD1 HIS 6 HD1 HIS 6 -13.943 -3.057 2.393
41 HD2 HIS 6 HD2 HIS 6 -10.850 -2.898 5.185
42 HE1 HIS 6 HE1 HIS 6 -15.026 -2.615 4.641
43 H TYR 7 H TYR 7 -10.399 -2.553 -0.698
44 HA TYR 7 HA TYR 7 -7.761 -3.636 -0.933
45 HB2 TYR 7 HB2 TYR 7 -9.694 -2.340 -2.876
46 HB3 TYR 7 HB3 TYR 7 -8.183 -3.081 -3.400
47 HD1 TYR 7 HD1 TYR 7 -7.773 -5.530 -2.940
48 HD2 TYR 7 HD2 TYR 7 -11.594 -3.669 -2.299
49 HE1 TYR 7 HE1 TYR 7 -8.857 -7.760 -2.906
50 HE2 TYR 7 HE2 TYR 7 -12.674 -5.899 -2.264
51 HH TYR 7 HH TYR 7 -11.613 -8.474 -3.472
52 H VAL 8 H VAL 8 -9.021 -0.346 -1.340
53 HA VAL 8 HA VAL 8 -6.593 0.865 -2.280
54 HB VAL 8 HB VAL 8 -8.909 1.815 -2.403
55 HG11 VAL 8 HG11 VAL 8 -9.970 2.762 -0.474
56 HG12 VAL 8 HG12 VAL 8 -8.536 2.507 0.521
57 HG13 VAL 8 HG13 VAL 8 -9.490 1.127 -0.021
58 HG21 VAL 8 HG21 VAL 8 -6.926 3.560 -0.911
59 HG22 VAL 8 HG22 VAL 8 -8.262 4.132 -1.909
60 HG23 VAL 8 HG23 VAL 8 -6.913 3.270 -2.650
61 H LEU 9 H LEU 9 -7.792 0.077 0.942
62 HA LEU 9 HA LEU 9 -5.817 1.599 2.431
63 HB2 LEU 9 HB2 LEU 9 -8.082 0.718 3.199
64 HB3 LEU 9 HB3 LEU 9 -7.353 -0.886 3.255
65 HG LEU 9 HG LEU 9 -5.877 1.294 4.646
66 HD11 LEU 9 HD11 LEU 9 -8.602 0.304 5.436
67 HD12 LEU 9 HD12 LEU 9 -7.931 1.931 5.552
68 HD13 LEU 9 HD13 LEU 9 -7.420 0.684 6.689
69 HD21 LEU 9 HD21 LEU 9 -6.041 -0.830 6.337
70 HD22 LEU 9 HD22 LEU 9 -4.816 -0.689 5.077
71 HD23 LEU 9 HD23 LEU 9 -6.270 -1.646 4.791
72 H LYS 10 H LYS 10 -6.009 -1.748 1.206
73 HA LYS 10 HA LYS 10 -3.503 -2.575 2.476
74 HB2 LYS 10 HB2 LYS 10 -5.379 -4.111 1.995
75 HB3 LYS 10 HB3 LYS 10 -5.216 -3.780 0.272
76 HG2 LYS 10 HG2 LYS 10 -4.086 -5.874 0.749
77 HG3 LYS 10 HG3 LYS 10 -2.862 -4.657 0.387
78 HD2 LYS 10 HD2 LYS 10 -2.037 -5.737 2.323
79 HD3 LYS 10 HD3 LYS 10 -2.779 -4.262 2.945
80 HE2 LYS 10 HE2 LYS 10 -4.705 -5.429 3.727
81 HE3 LYS 10 HE3 LYS 10 -4.312 -6.872 2.772
82 HZ1 LYS 10 HZ1 LYS 10 -2.530 -5.767 4.876
83 HZ2 LYS 10 HZ2 LYS 10 -2.380 -7.258 4.073
84 HZ3 LYS 10 HZ3 LYS 10 -3.653 -7.003 5.169
85 H PHE 11 H PHE 11 -4.514 -1.437 -0.740
86 HA PHE 11 HA PHE 11 -2.079 -1.980 -2.153
87 HB2 PHE 11 HB2 PHE 11 -4.115 -1.488 -3.328
88 HB3 PHE 11 HB3 PHE 11 -4.330 0.027 -2.455
89 HD1 PHE 11 HD1 PHE 11 -1.844 -1.691 -4.688
90 HD2 PHE 11 HD2 PHE 11 -3.634 2.017 -3.459
91 HE1 PHE 11 HE1 PHE 11 -0.563 -0.491 -6.438
92 HE2 PHE 11 HE2 PHE 11 -2.354 3.216 -5.209
93 HZ PHE 11 HZ PHE 11 -0.818 1.962 -6.699
94 H PHE 12 H PHE 12 -3.215 1.050 -0.576
95 HA PHE 12 HA PHE 12 -0.923 2.644 -1.100
96 HB2 PHE 12 HB2 PHE 12 -3.239 2.601 0.726
97 HB3 PHE 12 HB3 PHE 12 -1.850 3.484 1.360
98 HD1 PHE 12 HD1 PHE 12 -0.869 5.380 0.072
99 HD2 PHE 12 HD2 PHE 12 -4.489 3.424 -1.161
100 HE1 PHE 12 HE1 PHE 12 -1.391 7.287 -1.424
101 HE2 PHE 12 HE2 PHE 12 -5.010 5.331 -2.657
102 HZ PHE 12 HZ PHE 12 -3.461 7.263 -2.789
103 H LEU 13 H LEU 13 -1.606 0.500 1.687
104 HA LEU 13 HA LEU 13 0.804 1.031 3.147
105 HB2 LEU 13 HB2 LEU 13 -1.439 -0.213 3.726
106 HB3 LEU 13 HB3 LEU 13 -0.601 -1.635 3.101
107 HG LEU 13 HG LEU 13 1.335 -0.929 4.677
108 HD11 LEU 13 HD11 LEU 13 0.547 1.294 5.249
109 HD12 LEU 13 HD12 LEU 13 0.491 0.298 6.704
110 HD13 LEU 13 HD13 LEU 13 -0.992 0.647 5.816
111 HD21 LEU 13 HD21 LEU 13 -0.066 -2.916 5.047
112 HD22 LEU 13 HD22 LEU 13 -1.312 -1.915 5.793
113 HD23 LEU 13 HD23 LEU 13 0.254 -2.106 6.580
114 H LEU 14 H LEU 14 0.034 -1.336 0.592
115 HA LEU 14 HA LEU 14 2.487 -2.825 0.707
116 HB2 LEU 14 HB2 LEU 14 0.096 -2.999 -0.591
117 HB3 LEU 14 HB3 LEU 14 1.126 -2.439 -1.906
118 HG LEU 14 HG LEU 14 1.072 -4.897 -1.841
119 HD11 LEU 14 HD11 LEU 14 3.427 -5.285 -1.940
120 HD12 LEU 14 HD12 LEU 14 3.762 -3.979 -0.803
121 HD13 LEU 14 HD13 LEU 14 3.193 -3.608 -2.430
122 HD21 LEU 14 HD21 LEU 14 2.391 -4.718 0.877
123 HD22 LEU 14 HD22 LEU 14 1.775 -6.156 0.064
124 HD23 LEU 14 HD23 LEU 14 0.652 -4.947 0.684
125 H VAL 15 H VAL 15 1.511 0.026 -1.178
126 HA VAL 15 HA VAL 15 3.924 0.280 -2.731
127 HB VAL 15 HB VAL 15 1.800 2.255 -1.820
128 HG11 VAL 15 HG11 VAL 15 3.994 2.539 -3.896
129 HG12 VAL 15 HG12 VAL 15 3.771 3.522 -2.447
130 HG13 VAL 15 HG13 VAL 15 2.609 3.624 -3.770
131 HG21 VAL 15 HG21 VAL 15 2.211 0.871 -4.490
132 HG22 VAL 15 HG22 VAL 15 0.844 1.884 -4.025
133 HG23 VAL 15 HG23 VAL 15 1.081 0.315 -3.255
134 H PHE 16 H PHE 16 2.943 1.550 0.450
135 HA PHE 16 HA PHE 16 5.202 3.287 0.870
136 HB2 PHE 16 HB2 PHE 16 2.870 2.977 2.069
137 HB3 PHE 16 HB3 PHE 16 3.755 1.825 3.068
138 HD1 PHE 16 HD1 PHE 16 5.632 2.560 4.486
139 HD2 PHE 16 HD2 PHE 16 3.341 5.358 2.168
140 HE1 PHE 16 HE1 PHE 16 6.584 4.432 5.804
141 HE2 PHE 16 HE2 PHE 16 4.294 7.229 3.487
142 HZ PHE 16 HZ PHE 16 5.915 6.766 5.305
143 H GLY 17 H GLY 17 4.596 -0.142 1.667
144 HA2 GLY 17 HA2 GLY 17 7.020 -0.581 3.141
145 HA3 GLY 17 HA3 GLY 17 6.056 -1.842 2.369
146 H GLU 18 H GLU 18 6.202 -1.077 -0.312
147 HA GLU 18 HA GLU 18 8.690 -2.145 -1.169
148 HB2 GLU 18 HB2 GLU 18 6.333 -1.641 -2.323
149 HB3 GLU 18 HB3 GLU 18 7.181 -0.193 -2.870
150 HG2 GLU 18 HG2 GLU 18 7.635 -1.733 -4.585
151 HG3 GLU 18 HG3 GLU 18 9.071 -1.852 -3.569
152 H ASN 19 H ASN 19 7.698 1.203 -0.606
153 HA ASN 19 HA ASN 19 9.986 2.515 -1.735
154 HB2 ASN 19 HB2 ASN 19 7.748 3.108 0.124
155 HB3 ASN 19 HB3 ASN 19 9.158 4.155 0.279
156 HD21 ASN 19 HD21 ASN 19 6.385 3.440 -1.692
157 HD22 ASN 19 HD22 ASN 19 6.719 4.556 -2.925
158 H GLY 20 H GLY 20 9.329 1.147 1.461
159 HA2 GLY 20 HA2 GLY 20 11.869 2.049 2.596
160 HA3 GLY 20 HA3 GLY 20 10.712 0.968 3.374
161 H VAL 21 H VAL 21 10.558 -0.972 1.231
162 HA VAL 21 HA VAL 21 12.715 -2.711 1.906
163 HB VAL 21 HB VAL 21 10.738 -2.590 -0.386
164 HG11 VAL 21 HG11 VAL 21 12.554 -3.899 -1.247
165 HG12 VAL 21 HG12 VAL 21 11.346 -5.050 -0.676
166 HG13 VAL 21 HG13 VAL 21 12.779 -4.722 0.296
167 HG21 VAL 21 HG21 VAL 21 9.968 -2.970 2.008
168 HG22 VAL 21 HG22 VAL 21 10.897 -4.468 1.988
169 HG23 VAL 21 HG23 VAL 21 9.544 -4.255 0.878
170 H PHE 22 H PHE 22 12.513 -0.177 -0.493
171 HA PHE 22 HA PHE 22 14.791 -1.122 -2.079
172 HB2 PHE 22 HB2 PHE 22 12.762 0.997 -2.111
173 HB3 PHE 22 HB3 PHE 22 14.340 1.553 -2.667
174 HD1 PHE 22 HD1 PHE 22 11.699 -1.013 -3.197
175 HD2 PHE 22 HD2 PHE 22 15.242 0.844 -4.762
176 HE1 PHE 22 HE1 PHE 22 11.341 -2.159 -5.366
177 HE2 PHE 22 HE2 PHE 22 14.883 -0.302 -6.932
178 HZ PHE 22 HZ PHE 22 12.933 -1.804 -7.234
179 H PHE 23 H PHE 23 14.455 0.578 0.883
180 HA PHE 23 HA PHE 23 17.292 1.538 0.678
181 HB2 PHE 23 HB2 PHE 23 15.025 3.081 0.811
182 HB3 PHE 23 HB3 PHE 23 15.447 2.938 2.517
183 HD1 PHE 23 HD1 PHE 23 16.847 3.833 -0.829
184 HD2 PHE 23 HD2 PHE 23 17.233 4.189 3.435
185 HE1 PHE 23 HE1 PHE 23 18.646 5.513 -1.132
186 HE2 PHE 23 HE2 PHE 23 19.032 5.869 3.131
187 HZ PHE 23 HZ PHE 23 19.739 6.530 0.848
188 H TYR 24 H TYR 24 16.074 -1.013 1.822
189 HA TYR 24 HA TYR 24 17.403 -0.852 4.475
190 HB2 TYR 24 HB2 TYR 24 14.594 -0.676 4.066
191 HB3 TYR 24 HB3 TYR 24 14.905 -2.274 4.737
192 HD1 TYR 24 HD1 TYR 24 16.292 -2.462 6.864
193 HD2 TYR 24 HD2 TYR 24 14.735 1.272 5.417
194 HE1 TYR 24 HE1 TYR 24 16.612 -1.458 9.109
195 HE2 TYR 24 HE2 TYR 24 15.055 2.275 7.662
196 HH TYR 24 HH TYR 24 15.215 0.919 10.275
197 H LYS 25 H LYS 25 18.303 -2.187 2.147
198 HA LYS 25 HA LYS 25 17.926 -5.062 2.928
199 HB2 LYS 25 HB2 LYS 25 17.237 -3.685 0.513
200 HB3 LYS 25 HB3 LYS 25 18.565 -4.789 0.148
201 HG2 LYS 25 HG2 LYS 25 17.238 -6.571 1.422
202 HG3 LYS 25 HG3 LYS 25 15.875 -5.454 1.357
203 HD2 LYS 25 HD2 LYS 25 15.511 -5.841 -0.849
204 HD3 LYS 25 HD3 LYS 25 17.234 -5.812 -1.228
205 HE2 LYS 25 HE2 LYS 25 17.110 -8.144 0.166
206 HE3 LYS 25 HE3 LYS 25 15.492 -8.125 -0.562
207 HZ1 LYS 25 HZ1 LYS 25 17.018 -9.087 -2.126
208 HZ2 LYS 25 HZ2 LYS 25 18.085 -7.773 -1.978
209 HZ3 LYS 25 HZ3 LYS 25 16.562 -7.559 -2.704
Start of MODEL 12
1 HA HIS 1 HA HIS 1 -21.501 2.514 -0.254
2 HB2 HIS 1 HB2 HIS 1 -24.018 2.269 -0.560
3 HB3 HIS 1 HB3 HIS 1 -23.684 1.639 -2.172
4 HD1 HIS 1 HD1 HIS 1 -24.248 -0.807 -1.845
5 HD2 HIS 1 HD2 HIS 1 -21.647 0.619 1.085
6 HE1 HIS 1 HE1 HIS 1 -23.487 -2.825 -0.517
7 H ALA 2 H ALA 2 -19.526 1.881 -1.050
8 HA ALA 2 HA ALA 2 -19.384 0.744 -3.801
9 HB1 ALA 2 HB1 ALA 2 -17.697 3.008 -2.685
10 HB2 ALA 2 HB2 ALA 2 -18.820 3.101 -4.042
11 HB3 ALA 2 HB3 ALA 2 -17.335 2.159 -4.188
12 H TRP 3 H TRP 3 -18.149 -1.107 -3.768
13 HA TRP 3 HA TRP 3 -16.809 -1.915 -1.283
14 HB2 TRP 3 HB2 TRP 3 -18.181 -3.235 -3.167
15 HB3 TRP 3 HB3 TRP 3 -16.571 -3.416 -3.865
16 HD1 TRP 3 HD1 TRP 3 -14.657 -4.410 -2.082
17 HE1 TRP 3 HE1 TRP 3 -14.943 -6.278 -0.326
18 HE3 TRP 3 HE3 TRP 3 -19.745 -4.429 -1.630
19 HZ2 TRP 3 HZ2 TRP 3 -17.051 -7.605 1.081
20 HZ3 TRP 3 HZ3 TRP 3 -20.864 -6.003 -0.078
21 HH2 TRP 3 HH2 TRP 3 -19.524 -7.589 1.278
22 H TYR 4 H TYR 4 -15.228 -0.024 -1.451
23 HA TYR 4 HA TYR 4 -12.728 -0.945 -2.733
24 HB2 TYR 4 HB2 TYR 4 -14.283 0.515 -4.286
25 HB3 TYR 4 HB3 TYR 4 -13.681 1.853 -3.309
26 HD1 TYR 4 HD1 TYR 4 -12.262 -1.242 -4.920
27 HD2 TYR 4 HD2 TYR 4 -11.844 2.971 -4.184
28 HE1 TYR 4 HE1 TYR 4 -10.165 -1.218 -6.242
29 HE2 TYR 4 HE2 TYR 4 -9.748 2.992 -5.507
30 HH TYR 4 HH TYR 4 -7.917 0.931 -6.083
31 H SER 5 H SER 5 -13.517 -0.627 0.036
32 HA SER 5 HA SER 5 -12.142 1.854 0.939
33 HB2 SER 5 HB2 SER 5 -13.935 -0.232 2.173
34 HB3 SER 5 HB3 SER 5 -13.026 0.881 3.191
35 HG SER 5 HG SER 5 -15.005 1.442 1.247
36 H HIS 6 H HIS 6 -12.008 -1.676 1.431
37 HA HIS 6 HA HIS 6 -9.535 -1.577 2.971
38 HB2 HIS 6 HB2 HIS 6 -11.446 -3.571 1.901
39 HB3 HIS 6 HB3 HIS 6 -9.792 -4.154 2.080
40 HD1 HIS 6 HD1 HIS 6 -12.823 -3.751 3.970
41 HD2 HIS 6 HD2 HIS 6 -8.761 -3.453 4.864
42 HE1 HIS 6 HE1 HIS 6 -12.627 -3.938 6.489
43 H TYR 7 H TYR 7 -10.306 -1.669 -0.426
44 HA TYR 7 HA TYR 7 -7.913 -2.858 -1.454
45 HB2 TYR 7 HB2 TYR 7 -10.173 -1.194 -2.398
46 HB3 TYR 7 HB3 TYR 7 -8.705 -1.057 -3.363
47 HD1 TYR 7 HD1 TYR 7 -7.516 -3.337 -3.960
48 HD2 TYR 7 HD2 TYR 7 -11.641 -2.968 -2.813
49 HE1 TYR 7 HE1 TYR 7 -8.008 -5.519 -5.026
50 HE2 TYR 7 HE2 TYR 7 -12.131 -5.152 -3.881
51 HH TYR 7 HH TYR 7 -10.127 -7.386 -4.499
52 H VAL 8 H VAL 8 -8.741 0.558 -0.834
53 HA VAL 8 HA VAL 8 -6.190 1.611 -1.664
54 HB VAL 8 HB VAL 8 -8.510 2.741 -1.304
55 HG11 VAL 8 HG11 VAL 8 -7.390 3.308 1.438
56 HG12 VAL 8 HG12 VAL 8 -8.490 1.957 1.167
57 HG13 VAL 8 HG13 VAL 8 -9.019 3.605 0.830
58 HG21 VAL 8 HG21 VAL 8 -5.916 4.016 -0.390
59 HG22 VAL 8 HG22 VAL 8 -7.384 4.921 -0.763
60 HG23 VAL 8 HG23 VAL 8 -6.568 4.002 -2.028
61 H LEU 9 H LEU 9 -7.343 0.178 1.314
62 HA LEU 9 HA LEU 9 -5.100 1.113 2.957
63 HB2 LEU 9 HB2 LEU 9 -7.671 0.007 3.313
64 HB3 LEU 9 HB3 LEU 9 -6.558 -1.207 3.939
65 HG LEU 9 HG LEU 9 -7.249 0.425 5.685
66 HD11 LEU 9 HD11 LEU 9 -5.099 0.687 6.618
67 HD12 LEU 9 HD12 LEU 9 -4.344 0.918 5.041
68 HD13 LEU 9 HD13 LEU 9 -4.907 -0.682 5.524
69 HD21 LEU 9 HD21 LEU 9 -7.338 2.318 3.882
70 HD22 LEU 9 HD22 LEU 9 -5.621 2.507 4.238
71 HD23 LEU 9 HD23 LEU 9 -6.817 2.727 5.516
72 H LYS 10 H LYS 10 -5.858 -1.700 0.956
73 HA LYS 10 HA LYS 10 -3.562 -3.247 2.015
74 HB2 LYS 10 HB2 LYS 10 -5.921 -4.082 1.303
75 HB3 LYS 10 HB3 LYS 10 -5.321 -3.922 -0.347
76 HG2 LYS 10 HG2 LYS 10 -4.740 -6.127 0.111
77 HG3 LYS 10 HG3 LYS 10 -3.264 -5.289 0.597
78 HD2 LYS 10 HD2 LYS 10 -4.757 -5.150 2.898
79 HD3 LYS 10 HD3 LYS 10 -5.247 -6.716 2.252
80 HE2 LYS 10 HE2 LYS 10 -2.321 -6.102 2.208
81 HE3 LYS 10 HE3 LYS 10 -3.054 -6.466 3.783
82 HZ1 LYS 10 HZ1 LYS 10 -3.960 -8.483 2.933
83 HZ2 LYS 10 HZ2 LYS 10 -2.312 -8.467 2.519
84 HZ3 LYS 10 HZ3 LYS 10 -3.488 -8.111 1.346
85 H PHE 11 H PHE 11 -4.504 -1.500 -0.950
86 HA PHE 11 HA PHE 11 -2.137 -2.278 -2.457
87 HB2 PHE 11 HB2 PHE 11 -4.307 -1.644 -3.463
88 HB3 PHE 11 HB3 PHE 11 -4.146 -0.021 -2.792
89 HD1 PHE 11 HD1 PHE 11 -2.687 -2.444 -5.204
90 HD2 PHE 11 HD2 PHE 11 -2.737 1.623 -3.820
91 HE1 PHE 11 HE1 PHE 11 -1.365 -1.752 -7.185
92 HE2 PHE 11 HE2 PHE 11 -1.416 2.314 -5.800
93 HZ PHE 11 HZ PHE 11 -0.730 0.627 -7.483
94 H PHE 12 H PHE 12 -3.120 0.781 -0.826
95 HA PHE 12 HA PHE 12 -0.752 2.262 -1.376
96 HB2 PHE 12 HB2 PHE 12 -2.969 3.057 -0.439
97 HB3 PHE 12 HB3 PHE 12 -2.475 2.389 1.117
98 HD1 PHE 12 HD1 PHE 12 -1.425 4.788 -1.551
99 HD2 PHE 12 HD2 PHE 12 -1.065 3.610 2.565
100 HE1 PHE 12 HE1 PHE 12 -0.120 6.841 -1.077
101 HE2 PHE 12 HE2 PHE 12 0.242 5.665 3.037
102 HZ PHE 12 HZ PHE 12 0.713 7.280 1.217
103 H LEU 13 H LEU 13 -1.550 0.230 1.475
104 HA LEU 13 HA LEU 13 0.849 0.616 2.946
105 HB2 LEU 13 HB2 LEU 13 -1.275 -0.505 3.682
106 HB3 LEU 13 HB3 LEU 13 -0.840 -1.896 2.688
107 HG LEU 13 HG LEU 13 1.424 -1.218 4.307
108 HD11 LEU 13 HD11 LEU 13 0.546 -1.403 6.538
109 HD12 LEU 13 HD12 LEU 13 -1.080 -1.722 5.935
110 HD13 LEU 13 HD13 LEU 13 -0.365 -0.122 5.737
111 HD21 LEU 13 HD21 LEU 13 1.287 -3.506 4.927
112 HD22 LEU 13 HD22 LEU 13 0.597 -3.450 3.306
113 HD23 LEU 13 HD23 LEU 13 -0.462 -3.544 4.713
114 H LEU 14 H LEU 14 0.113 -1.640 0.285
115 HA LEU 14 HA LEU 14 2.578 -3.135 0.419
116 HB2 LEU 14 HB2 LEU 14 0.278 -3.582 -0.756
117 HB3 LEU 14 HB3 LEU 14 0.969 -2.651 -2.084
118 HG LEU 14 HG LEU 14 2.725 -4.756 -0.947
119 HD11 LEU 14 HD11 LEU 14 0.525 -5.888 -0.930
120 HD12 LEU 14 HD12 LEU 14 1.579 -6.556 -2.177
121 HD13 LEU 14 HD13 LEU 14 0.287 -5.441 -2.620
122 HD21 LEU 14 HD21 LEU 14 3.491 -4.893 -3.166
123 HD22 LEU 14 HD22 LEU 14 3.047 -3.193 -3.015
124 HD23 LEU 14 HD23 LEU 14 1.961 -4.318 -3.829
125 H VAL 15 H VAL 15 1.527 -0.415 -1.632
126 HA VAL 15 HA VAL 15 4.004 -0.113 -3.073
127 HB VAL 15 HB VAL 15 1.684 1.745 -2.443
128 HG11 VAL 15 HG11 VAL 15 3.463 3.216 -3.018
129 HG12 VAL 15 HG12 VAL 15 2.573 2.977 -4.521
130 HG13 VAL 15 HG13 VAL 15 4.084 2.111 -4.245
131 HG21 VAL 15 HG21 VAL 15 1.513 -0.459 -3.883
132 HG22 VAL 15 HG22 VAL 15 2.314 0.517 -5.114
133 HG23 VAL 15 HG23 VAL 15 0.756 1.025 -4.463
134 H PHE 16 H PHE 16 2.674 1.613 -0.222
135 HA PHE 16 HA PHE 16 4.945 3.333 0.192
136 HB2 PHE 16 HB2 PHE 16 2.466 3.284 1.121
137 HB3 PHE 16 HB3 PHE 16 3.185 2.326 2.414
138 HD1 PHE 16 HD1 PHE 16 5.133 3.284 3.724
139 HD2 PHE 16 HD2 PHE 16 2.783 5.640 1.007
140 HE1 PHE 16 HE1 PHE 16 5.989 5.357 4.779
141 HE2 PHE 16 HE2 PHE 16 3.639 7.712 2.064
142 HZ PHE 16 HZ PHE 16 5.243 7.571 3.951
143 H GLY 17 H GLY 17 4.156 0.048 1.290
144 HA2 GLY 17 HA2 GLY 17 6.233 -0.220 3.243
145 HA3 GLY 17 HA3 GLY 17 5.445 -1.560 2.408
146 H GLU 18 H GLU 18 6.135 -1.045 -0.242
147 HA GLU 18 HA GLU 18 8.793 -2.090 -0.418
148 HB2 GLU 18 HB2 GLU 18 6.600 -1.256 -2.154
149 HB3 GLU 18 HB3 GLU 18 8.166 -0.875 -2.866
150 HG2 GLU 18 HG2 GLU 18 8.379 -3.036 -3.459
151 HG3 GLU 18 HG3 GLU 18 8.416 -3.467 -1.750
152 H ASN 19 H ASN 19 7.540 1.218 -0.625
153 HA ASN 19 HA ASN 19 9.882 2.539 -1.563
154 HB2 ASN 19 HB2 ASN 19 7.384 3.195 -0.111
155 HB3 ASN 19 HB3 ASN 19 8.696 4.357 0.088
156 HD21 ASN 19 HD21 ASN 19 6.618 2.790 -2.354
157 HD22 ASN 19 HD22 ASN 19 6.922 3.927 -3.577
158 H GLY 20 H GLY 20 9.149 1.167 1.564
159 HA2 GLY 20 HA2 GLY 20 11.562 2.480 2.732
160 HA3 GLY 20 HA3 GLY 20 10.244 1.790 3.677
161 H VAL 21 H VAL 21 10.017 -0.692 2.190
162 HA VAL 21 HA VAL 21 12.207 -2.169 3.459
163 HB VAL 21 HB VAL 21 9.796 -2.914 1.784
164 HG11 VAL 21 HG11 VAL 21 11.365 -4.682 1.412
165 HG12 VAL 21 HG12 VAL 21 10.286 -5.255 2.683
166 HG13 VAL 21 HG13 VAL 21 11.894 -4.660 3.095
167 HG21 VAL 21 HG21 VAL 21 10.195 -3.695 4.643
168 HG22 VAL 21 HG22 VAL 21 8.707 -3.286 3.789
169 HG23 VAL 21 HG23 VAL 21 9.807 -2.009 4.305
170 H PHE 22 H PHE 22 11.146 -1.597 0.102
171 HA PHE 22 HA PHE 22 13.210 -3.196 -1.127
172 HB2 PHE 22 HB2 PHE 22 10.946 -2.331 -2.027
173 HB3 PHE 22 HB3 PHE 22 11.803 -0.828 -2.361
174 HD1 PHE 22 HD1 PHE 22 11.761 -4.481 -3.080
175 HD2 PHE 22 HD2 PHE 22 13.289 -0.628 -4.211
176 HE1 PHE 22 HE1 PHE 22 12.671 -5.455 -5.170
177 HE2 PHE 22 HE2 PHE 22 14.200 -1.604 -6.301
178 HZ PHE 22 HZ PHE 22 13.890 -4.018 -6.781
179 H PHE 23 H PHE 23 13.269 -0.030 0.273
180 HA PHE 23 HA PHE 23 15.863 0.573 -1.109
181 HB2 PHE 23 HB2 PHE 23 13.756 2.336 0.188
182 HB3 PHE 23 HB3 PHE 23 15.278 2.935 -0.470
183 HD1 PHE 23 HD1 PHE 23 15.749 2.776 -2.909
184 HD2 PHE 23 HD2 PHE 23 11.949 1.641 -1.256
185 HE1 PHE 23 HE1 PHE 23 14.743 2.835 -5.175
186 HE2 PHE 23 HE2 PHE 23 10.945 1.701 -3.521
187 HZ PHE 23 HZ PHE 23 12.342 2.299 -5.481
188 H TYR 24 H TYR 24 16.006 -1.223 1.000
189 HA TYR 24 HA TYR 24 17.634 0.260 2.955
190 HB2 TYR 24 HB2 TYR 24 14.932 -0.012 3.417
191 HB3 TYR 24 HB3 TYR 24 15.584 -1.409 4.269
192 HD1 TYR 24 HD1 TYR 24 15.564 2.275 4.061
193 HD2 TYR 24 HD2 TYR 24 17.062 -1.145 6.185
194 HE1 TYR 24 HE1 TYR 24 16.305 3.749 5.910
195 HE2 TYR 24 HE2 TYR 24 17.803 0.331 8.035
196 HH TYR 24 HH TYR 24 18.414 3.235 7.936
197 H LYS 25 H LYS 25 18.698 -1.531 1.291
198 HA LYS 25 HA LYS 25 19.297 -3.873 3.025
199 HB2 LYS 25 HB2 LYS 25 17.348 -4.160 1.253
200 HB3 LYS 25 HB3 LYS 25 18.690 -4.330 0.121
201 HG2 LYS 25 HG2 LYS 25 19.570 -5.972 2.067
202 HG3 LYS 25 HG3 LYS 25 17.833 -6.135 2.328
203 HD2 LYS 25 HD2 LYS 25 19.086 -6.409 -0.411
204 HD3 LYS 25 HD3 LYS 25 18.886 -7.784 0.675
205 HE2 LYS 25 HE2 LYS 25 16.530 -7.673 0.589
206 HE3 LYS 25 HE3 LYS 25 16.540 -5.991 0.023
207 HZ1 LYS 25 HZ1 LYS 25 17.455 -8.389 -1.478
208 HZ2 LYS 25 HZ2 LYS 25 17.718 -6.791 -1.996
209 HZ3 LYS 25 HZ3 LYS 25 16.135 -7.392 -1.854
Start of MODEL 13
1 HA HIS 1 HA HIS 1 -19.887 2.331 3.084
2 HB2 HIS 1 HB2 HIS 1 -20.288 0.220 1.676
3 HB3 HIS 1 HB3 HIS 1 -21.334 1.592 1.334
4 HD1 HIS 1 HD1 HIS 1 -21.532 2.128 -1.083
5 HD2 HIS 1 HD2 HIS 1 -17.893 0.287 -0.239
6 HE1 HIS 1 HE1 HIS 1 -20.334 1.859 -3.298
7 H ALA 2 H ALA 2 -18.869 -0.115 3.239
8 HA ALA 2 HA ALA 2 -15.957 0.325 3.465
9 HB1 ALA 2 HB1 ALA 2 -17.616 -0.730 5.160
10 HB2 ALA 2 HB2 ALA 2 -16.071 -1.545 4.924
11 HB3 ALA 2 HB3 ALA 2 -17.524 -2.169 4.145
12 H TRP 3 H TRP 3 -15.215 -2.457 3.162
13 HA TRP 3 HA TRP 3 -14.550 -4.038 1.552
14 HB2 TRP 3 HB2 TRP 3 -16.697 -2.834 -0.220
15 HB3 TRP 3 HB3 TRP 3 -16.069 -4.478 -0.252
16 HD1 TRP 3 HD1 TRP 3 -16.343 -5.641 2.440
17 HE1 TRP 3 HE1 TRP 3 -18.559 -5.774 3.752
18 HE3 TRP 3 HE3 TRP 3 -18.993 -1.972 0.073
19 HZ2 TRP 3 HZ2 TRP 3 -21.115 -4.494 3.791
20 HZ3 TRP 3 HZ3 TRP 3 -21.315 -1.452 0.768
21 HH2 TRP 3 HH2 TRP 3 -22.378 -2.707 2.623
22 H TYR 4 H TYR 4 -15.535 -1.238 -0.494
23 HA TYR 4 HA TYR 4 -13.097 -1.399 -2.058
24 HB2 TYR 4 HB2 TYR 4 -14.249 0.029 -3.421
25 HB3 TYR 4 HB3 TYR 4 -15.612 -0.372 -2.384
26 HD1 TYR 4 HD1 TYR 4 -16.121 1.146 -0.391
27 HD2 TYR 4 HD2 TYR 4 -13.375 2.228 -3.513
28 HE1 TYR 4 HE1 TYR 4 -16.297 3.528 0.278
29 HE2 TYR 4 HE2 TYR 4 -13.552 4.609 -2.844
30 HH TYR 4 HH TYR 4 -14.237 5.778 -0.383
31 H SER 5 H SER 5 -14.019 0.300 0.847
32 HA SER 5 HA SER 5 -11.935 2.323 0.773
33 HB2 SER 5 HB2 SER 5 -12.653 2.635 3.134
34 HB3 SER 5 HB3 SER 5 -14.034 2.537 2.045
35 HG SER 5 HG SER 5 -13.126 0.748 3.979
36 H HIS 6 H HIS 6 -12.073 -1.025 1.757
37 HA HIS 6 HA HIS 6 -9.554 -0.852 3.302
38 HB2 HIS 6 HB2 HIS 6 -11.695 -2.882 2.754
39 HB3 HIS 6 HB3 HIS 6 -10.126 -3.440 3.334
40 HD1 HIS 6 HD1 HIS 6 -9.269 -2.196 5.617
41 HD2 HIS 6 HD2 HIS 6 -13.341 -1.925 4.767
42 HE1 HIS 6 HE1 HIS 6 -10.407 -1.508 7.773
43 H TYR 7 H TYR 7 -10.742 -2.095 0.206
44 HA TYR 7 HA TYR 7 -8.388 -3.561 -0.540
45 HB2 TYR 7 HB2 TYR 7 -10.880 -2.575 -1.733
46 HB3 TYR 7 HB3 TYR 7 -9.544 -2.599 -2.883
47 HD1 TYR 7 HD1 TYR 7 -8.188 -4.747 -3.134
48 HD2 TYR 7 HD2 TYR 7 -11.947 -4.585 -1.063
49 HE1 TYR 7 HE1 TYR 7 -8.412 -7.207 -3.348
50 HE2 TYR 7 HE2 TYR 7 -12.170 -7.045 -1.274
51 HH TYR 7 HH TYR 7 -10.155 -9.051 -1.615
52 H VAL 8 H VAL 8 -9.374 -0.190 -1.125
53 HA VAL 8 HA VAL 8 -7.062 0.567 -2.657
54 HB VAL 8 HB VAL 8 -9.289 1.765 -2.446
55 HG11 VAL 8 HG11 VAL 8 -9.327 1.585 0.085
56 HG12 VAL 8 HG12 VAL 8 -9.707 3.185 -0.553
57 HG13 VAL 8 HG13 VAL 8 -8.110 2.861 0.120
58 HG21 VAL 8 HG21 VAL 8 -7.218 2.821 -3.395
59 HG22 VAL 8 HG22 VAL 8 -6.872 3.478 -1.795
60 HG23 VAL 8 HG23 VAL 8 -8.323 3.983 -2.662
61 H LEU 9 H LEU 9 -7.677 0.275 0.789
62 HA LEU 9 HA LEU 9 -5.324 1.721 1.696
63 HB2 LEU 9 HB2 LEU 9 -7.572 1.007 2.878
64 HB3 LEU 9 HB3 LEU 9 -6.702 -0.492 3.207
65 HG LEU 9 HG LEU 9 -4.800 1.088 4.053
66 HD11 LEU 9 HD11 LEU 9 -5.728 3.196 5.028
67 HD12 LEU 9 HD12 LEU 9 -7.241 2.885 4.178
68 HD13 LEU 9 HD13 LEU 9 -5.763 3.185 3.264
69 HD21 LEU 9 HD21 LEU 9 -5.841 1.118 6.305
70 HD22 LEU 9 HD22 LEU 9 -6.092 -0.429 5.498
71 HD23 LEU 9 HD23 LEU 9 -7.405 0.748 5.577
72 H LYS 10 H LYS 10 -6.078 -1.681 0.940
73 HA LYS 10 HA LYS 10 -3.680 -2.888 1.926
74 HB2 LYS 10 HB2 LYS 10 -5.908 -3.882 1.043
75 HB3 LYS 10 HB3 LYS 10 -5.185 -3.732 -0.559
76 HG2 LYS 10 HG2 LYS 10 -3.549 -5.324 -0.122
77 HG3 LYS 10 HG3 LYS 10 -3.604 -5.055 1.621
78 HD2 LYS 10 HD2 LYS 10 -6.108 -5.948 1.289
79 HD3 LYS 10 HD3 LYS 10 -5.361 -6.755 -0.092
80 HE2 LYS 10 HE2 LYS 10 -3.563 -7.598 1.511
81 HE3 LYS 10 HE3 LYS 10 -4.594 -7.012 2.833
82 HZ1 LYS 10 HZ1 LYS 10 -5.152 -9.292 2.346
83 HZ2 LYS 10 HZ2 LYS 10 -5.377 -8.935 0.701
84 HZ3 LYS 10 HZ3 LYS 10 -6.440 -8.299 1.866
85 H PHE 11 H PHE 11 -4.465 -1.547 -1.309
86 HA PHE 11 HA PHE 11 -1.944 -2.135 -2.551
87 HB2 PHE 11 HB2 PHE 11 -4.019 -1.517 -3.744
88 HB3 PHE 11 HB3 PHE 11 -3.964 0.093 -3.022
89 HD1 PHE 11 HD1 PHE 11 -2.365 -2.195 -5.444
90 HD2 PHE 11 HD2 PHE 11 -2.361 1.761 -3.769
91 HE1 PHE 11 HE1 PHE 11 -0.871 -1.425 -7.266
92 HE2 PHE 11 HE2 PHE 11 -0.867 2.531 -5.592
93 HZ PHE 11 HZ PHE 11 -0.122 0.938 -7.340
94 H PHE 12 H PHE 12 -3.125 0.783 -0.835
95 HA PHE 12 HA PHE 12 -0.816 2.420 -1.173
96 HB2 PHE 12 HB2 PHE 12 -3.244 2.297 0.451
97 HB3 PHE 12 HB3 PHE 12 -1.894 2.988 1.351
98 HD1 PHE 12 HD1 PHE 12 -0.739 5.016 0.542
99 HD2 PHE 12 HD2 PHE 12 -4.177 3.423 -1.484
100 HE1 PHE 12 HE1 PHE 12 -0.996 7.147 -0.698
101 HE2 PHE 12 HE2 PHE 12 -4.433 5.556 -2.723
102 HZ PHE 12 HZ PHE 12 -2.842 7.417 -2.331
103 H LEU 13 H LEU 13 -1.652 0.154 1.478
104 HA LEU 13 HA LEU 13 0.678 0.510 3.074
105 HB2 LEU 13 HB2 LEU 13 -1.542 -0.789 3.450
106 HB3 LEU 13 HB3 LEU 13 -0.732 -2.128 2.637
107 HG LEU 13 HG LEU 13 1.196 -1.708 4.322
108 HD11 LEU 13 HD11 LEU 13 -1.112 -0.250 5.642
109 HD12 LEU 13 HD12 LEU 13 0.461 0.422 5.212
110 HD13 LEU 13 HD13 LEU 13 0.337 -0.776 6.500
111 HD21 LEU 13 HD21 LEU 13 0.058 -3.125 6.014
112 HD22 LEU 13 HD22 LEU 13 -0.257 -3.691 4.375
113 HD23 LEU 13 HD23 LEU 13 -1.491 -2.779 5.246
114 H LEU 14 H LEU 14 0.084 -1.596 0.260
115 HA LEU 14 HA LEU 14 2.528 -3.076 0.313
116 HB2 LEU 14 HB2 LEU 14 0.249 -3.147 -1.103
117 HB3 LEU 14 HB3 LEU 14 1.238 -2.266 -2.265
118 HG LEU 14 HG LEU 14 1.331 -4.706 -2.659
119 HD11 LEU 14 HD11 LEU 14 3.352 -3.059 -2.912
120 HD12 LEU 14 HD12 LEU 14 3.635 -4.795 -3.040
121 HD13 LEU 14 HD13 LEU 14 4.017 -3.948 -1.541
122 HD21 LEU 14 HD21 LEU 14 2.170 -6.234 -1.041
123 HD22 LEU 14 HD22 LEU 14 1.033 -5.218 -0.154
124 HD23 LEU 14 HD23 LEU 14 2.768 -4.935 -0.008
125 H VAL 15 H VAL 15 1.684 0.043 -1.156
126 HA VAL 15 HA VAL 15 4.212 0.474 -2.497
127 HB VAL 15 HB VAL 15 2.079 2.403 -1.502
128 HG11 VAL 15 HG11 VAL 15 3.030 3.668 -3.608
129 HG12 VAL 15 HG12 VAL 15 4.470 2.700 -3.295
130 HG13 VAL 15 HG13 VAL 15 3.861 3.799 -2.059
131 HG21 VAL 15 HG21 VAL 15 1.944 0.371 -3.463
132 HG22 VAL 15 HG22 VAL 15 2.108 1.885 -4.351
133 HG23 VAL 15 HG23 VAL 15 0.787 1.675 -3.203
134 H PHE 16 H PHE 16 2.939 1.330 0.720
135 HA PHE 16 HA PHE 16 5.050 3.047 1.590
136 HB2 PHE 16 HB2 PHE 16 2.946 1.306 2.807
137 HB3 PHE 16 HB3 PHE 16 4.233 1.867 3.871
138 HD1 PHE 16 HD1 PHE 16 4.834 4.449 3.635
139 HD2 PHE 16 HD2 PHE 16 1.090 2.682 2.485
140 HE1 PHE 16 HE1 PHE 16 3.737 6.667 3.791
141 HE2 PHE 16 HE2 PHE 16 -0.004 4.900 2.641
142 HZ PHE 16 HZ PHE 16 1.319 6.894 3.293
143 H GLY 17 H GLY 17 4.676 -0.503 1.810
144 HA2 GLY 17 HA2 GLY 17 7.105 -1.003 3.249
145 HA3 GLY 17 HA3 GLY 17 6.243 -2.189 2.267
146 H GLU 18 H GLU 18 6.388 -1.218 -0.267
147 HA GLU 18 HA GLU 18 9.054 -1.816 -1.098
148 HB2 GLU 18 HB2 GLU 18 6.590 -1.593 -2.256
149 HB3 GLU 18 HB3 GLU 18 7.369 -0.132 -2.865
150 HG2 GLU 18 HG2 GLU 18 8.802 -1.300 -4.191
151 HG3 GLU 18 HG3 GLU 18 9.066 -2.545 -2.970
152 H ASN 19 H ASN 19 7.484 1.253 -0.337
153 HA ASN 19 HA ASN 19 9.431 3.031 -1.458
154 HB2 ASN 19 HB2 ASN 19 7.176 3.084 0.427
155 HB3 ASN 19 HB3 ASN 19 8.409 4.292 0.785
156 HD21 ASN 19 HD21 ASN 19 6.239 3.135 -1.818
157 HD22 ASN 19 HD22 ASN 19 6.258 4.590 -2.694
158 H GLY 20 H GLY 20 9.514 1.019 1.383
159 HA2 GLY 20 HA2 GLY 20 11.960 2.435 2.350
160 HA3 GLY 20 HA3 GLY 20 10.936 1.416 3.359
161 H VAL 21 H VAL 21 10.641 -0.809 1.598
162 HA VAL 21 HA VAL 21 13.194 -2.149 2.064
163 HB VAL 21 HB VAL 21 10.563 -2.928 0.779
164 HG11 VAL 21 HG11 VAL 21 12.191 -4.367 -0.230
165 HG12 VAL 21 HG12 VAL 21 11.466 -5.296 1.083
166 HG13 VAL 21 HG13 VAL 21 13.059 -4.564 1.293
167 HG21 VAL 21 HG21 VAL 21 11.675 -4.092 3.305
168 HG22 VAL 21 HG22 VAL 21 9.995 -3.817 2.846
169 HG23 VAL 21 HG23 VAL 21 10.999 -2.464 3.367
170 H PHE 22 H PHE 22 11.326 -1.344 -0.879
171 HA PHE 22 HA PHE 22 13.304 -2.310 -2.733
172 HB2 PHE 22 HB2 PHE 22 10.697 -1.327 -2.779
173 HB3 PHE 22 HB3 PHE 22 11.612 -0.125 -3.687
174 HD1 PHE 22 HD1 PHE 22 10.698 -3.710 -3.490
175 HD2 PHE 22 HD2 PHE 22 12.609 -0.648 -5.820
176 HE1 PHE 22 HE1 PHE 22 10.770 -5.239 -5.441
177 HE2 PHE 22 HE2 PHE 22 12.680 -2.177 -7.771
178 HZ PHE 22 HZ PHE 22 11.759 -4.472 -7.581
179 H PHE 23 H PHE 23 13.149 0.603 -0.859
180 HA PHE 23 HA PHE 23 15.091 1.993 -2.646
181 HB2 PHE 23 HB2 PHE 23 13.225 2.749 -0.413
182 HB3 PHE 23 HB3 PHE 23 14.574 3.813 -0.809
183 HD1 PHE 23 HD1 PHE 23 14.732 4.892 -3.022
184 HD2 PHE 23 HD2 PHE 23 11.378 2.427 -1.960
185 HE1 PHE 23 HE1 PHE 23 13.459 5.791 -4.949
186 HE2 PHE 23 HE2 PHE 23 10.105 3.327 -3.888
187 HZ PHE 23 HZ PHE 23 11.146 5.009 -5.382
188 H TYR 24 H TYR 24 15.570 -0.349 -0.567
189 HA TYR 24 HA TYR 24 17.696 1.022 1.041
190 HB2 TYR 24 HB2 TYR 24 15.602 -0.667 1.738
191 HB3 TYR 24 HB3 TYR 24 16.991 -1.752 1.703
192 HD1 TYR 24 HD1 TYR 24 19.071 -1.131 3.027
193 HD2 TYR 24 HD2 TYR 24 15.319 0.907 3.498
194 HE1 TYR 24 HE1 TYR 24 19.833 -0.227 5.207
195 HE2 TYR 24 HE2 TYR 24 16.082 1.811 5.675
196 HH TYR 24 HH TYR 24 18.189 0.726 7.479
197 H LYS 25 H LYS 25 18.083 0.298 -1.771
198 HA LYS 25 HA LYS 25 19.857 -2.093 -1.632
199 HB2 LYS 25 HB2 LYS 25 19.310 -2.377 -3.840
200 HB3 LYS 25 HB3 LYS 25 17.952 -1.341 -3.417
201 HG2 LYS 25 HG2 LYS 25 20.556 -0.140 -4.363
202 HG3 LYS 25 HG3 LYS 25 19.372 -0.742 -5.519
203 HD2 LYS 25 HD2 LYS 25 17.712 0.797 -4.791
204 HD3 LYS 25 HD3 LYS 25 18.610 1.192 -3.327
205 HE2 LYS 25 HE2 LYS 25 20.042 1.685 -5.892
206 HE3 LYS 25 HE3 LYS 25 18.684 2.767 -5.526
207 HZ1 LYS 25 HZ1 LYS 25 20.819 2.075 -3.574
208 HZ2 LYS 25 HZ2 LYS 25 19.594 3.240 -3.389
209 HZ3 LYS 25 HZ3 LYS 25 20.835 3.483 -4.525
Start of MODEL 14
1 HA HIS 1 HA HIS 1 -21.054 0.883 5.200
2 HB2 HIS 1 HB2 HIS 1 -21.116 3.474 5.600
3 HB3 HIS 1 HB3 HIS 1 -20.925 3.575 3.849
4 HD1 HIS 1 HD1 HIS 1 -22.799 2.250 2.411
5 HD2 HIS 1 HD2 HIS 1 -23.707 2.894 6.430
6 HE1 HIS 1 HE1 HIS 1 -25.291 1.867 2.654
7 H ALA 2 H ALA 2 -19.160 2.827 2.830
8 HA ALA 2 HA ALA 2 -20.024 1.181 0.578
9 HB1 ALA 2 HB1 ALA 2 -19.485 3.592 0.424
10 HB2 ALA 2 HB2 ALA 2 -18.440 2.651 -0.642
11 HB3 ALA 2 HB3 ALA 2 -17.820 3.251 0.897
12 H TRP 3 H TRP 3 -18.584 -0.185 -0.698
13 HA TRP 3 HA TRP 3 -16.675 -1.708 0.944
14 HB2 TRP 3 HB2 TRP 3 -16.977 -3.343 -0.696
15 HB3 TRP 3 HB3 TRP 3 -18.482 -2.446 -0.865
16 HD1 TRP 3 HD1 TRP 3 -18.472 -0.504 -2.850
17 HE1 TRP 3 HE1 TRP 3 -17.338 -0.570 -5.165
18 HE3 TRP 3 HE3 TRP 3 -15.059 -4.223 -2.060
19 HZ2 TRP 3 HZ2 TRP 3 -15.263 -2.010 -6.503
20 HZ3 TRP 3 HZ3 TRP 3 -13.519 -4.921 -3.871
21 HH2 TRP 3 HH2 TRP 3 -13.617 -3.819 -6.090
22 H TYR 4 H TYR 4 -14.663 -2.431 -0.669
23 HA TYR 4 HA TYR 4 -12.619 -1.790 -1.622
24 HB2 TYR 4 HB2 TYR 4 -13.692 -0.979 -3.509
25 HB3 TYR 4 HB3 TYR 4 -14.619 0.210 -2.607
26 HD1 TYR 4 HD1 TYR 4 -11.302 -0.561 -4.067
27 HD2 TYR 4 HD2 TYR 4 -13.760 2.415 -2.180
28 HE1 TYR 4 HE1 TYR 4 -9.653 1.189 -4.671
29 HE2 TYR 4 HE2 TYR 4 -12.114 4.163 -2.787
30 HH TYR 4 HH TYR 4 -10.143 4.161 -4.935
31 H SER 5 H SER 5 -13.957 -0.193 0.990
32 HA SER 5 HA SER 5 -12.247 2.085 1.333
33 HB2 SER 5 HB2 SER 5 -13.801 0.259 3.172
34 HB3 SER 5 HB3 SER 5 -12.872 1.615 3.804
35 HG SER 5 HG SER 5 -14.125 3.005 2.598
36 H HIS 6 H HIS 6 -11.872 -1.340 2.110
37 HA HIS 6 HA HIS 6 -9.247 -0.897 3.402
38 HB2 HIS 6 HB2 HIS 6 -10.897 -2.542 4.270
39 HB3 HIS 6 HB3 HIS 6 -10.817 -3.413 2.738
40 HD1 HIS 6 HD1 HIS 6 -9.413 -5.449 3.038
41 HD2 HIS 6 HD2 HIS 6 -7.865 -2.202 5.150
42 HE1 HIS 6 HE1 HIS 6 -7.255 -6.244 4.097
43 H TYR 7 H TYR 7 -10.587 -1.891 0.322
44 HA TYR 7 HA TYR 7 -8.338 -3.233 -0.805
45 HB2 TYR 7 HB2 TYR 7 -10.652 -1.619 -1.883
46 HB3 TYR 7 HB3 TYR 7 -9.449 -2.304 -2.974
47 HD1 TYR 7 HD1 TYR 7 -12.002 -3.135 -0.403
48 HD2 TYR 7 HD2 TYR 7 -9.372 -4.654 -3.442
49 HE1 TYR 7 HE1 TYR 7 -13.130 -5.335 -0.277
50 HE2 TYR 7 HE2 TYR 7 -10.503 -6.858 -3.314
51 HH TYR 7 HH TYR 7 -13.296 -7.429 -2.279
52 H VAL 8 H VAL 8 -9.259 0.211 -0.885
53 HA VAL 8 HA VAL 8 -6.979 1.123 -2.374
54 HB VAL 8 HB VAL 8 -9.196 2.300 -1.875
55 HG11 VAL 8 HG11 VAL 8 -7.790 3.101 0.684
56 HG12 VAL 8 HG12 VAL 8 -9.036 1.855 0.616
57 HG13 VAL 8 HG13 VAL 8 -9.429 3.519 0.181
58 HG21 VAL 8 HG21 VAL 8 -7.209 3.426 -2.888
59 HG22 VAL 8 HG22 VAL 8 -6.672 3.870 -1.268
60 HG23 VAL 8 HG23 VAL 8 -8.183 4.520 -1.906
61 H LEU 9 H LEU 9 -7.490 0.424 1.034
62 HA LEU 9 HA LEU 9 -5.036 1.680 1.984
63 HB2 LEU 9 HB2 LEU 9 -7.339 0.921 3.130
64 HB3 LEU 9 HB3 LEU 9 -6.413 -0.549 3.431
65 HG LEU 9 HG LEU 9 -4.560 1.065 4.288
66 HD11 LEU 9 HD11 LEU 9 -5.625 3.137 5.318
67 HD12 LEU 9 HD12 LEU 9 -7.026 2.823 4.295
68 HD13 LEU 9 HD13 LEU 9 -5.459 3.169 3.562
69 HD21 LEU 9 HD21 LEU 9 -5.658 1.123 6.542
70 HD22 LEU 9 HD22 LEU 9 -5.769 -0.455 5.761
71 HD23 LEU 9 HD23 LEU 9 -7.167 0.622 5.779
72 H LYS 10 H LYS 10 -6.032 -1.634 1.082
73 HA LYS 10 HA LYS 10 -3.648 -3.001 1.882
74 HB2 LYS 10 HB2 LYS 10 -6.052 -3.720 0.944
75 HB3 LYS 10 HB3 LYS 10 -5.162 -3.799 -0.576
76 HG2 LYS 10 HG2 LYS 10 -3.846 -5.559 0.122
77 HG3 LYS 10 HG3 LYS 10 -3.901 -5.066 1.814
78 HD2 LYS 10 HD2 LYS 10 -6.460 -5.668 1.599
79 HD3 LYS 10 HD3 LYS 10 -5.909 -6.644 0.237
80 HE2 LYS 10 HE2 LYS 10 -4.179 -7.664 1.816
81 HE3 LYS 10 HE3 LYS 10 -5.056 -6.872 3.139
82 HZ1 LYS 10 HZ1 LYS 10 -7.110 -7.917 2.296
83 HZ2 LYS 10 HZ2 LYS 10 -5.961 -9.065 2.798
84 HZ3 LYS 10 HZ3 LYS 10 -6.197 -8.762 1.143
85 H PHE 11 H PHE 11 -4.519 -1.376 -1.179
86 HA PHE 11 HA PHE 11 -2.116 -2.093 -2.613
87 HB2 PHE 11 HB2 PHE 11 -4.291 -1.326 -3.591
88 HB3 PHE 11 HB3 PHE 11 -3.990 0.281 -2.930
89 HD1 PHE 11 HD1 PHE 11 -2.157 1.686 -3.800
90 HD2 PHE 11 HD2 PHE 11 -3.036 -2.161 -5.498
91 HE1 PHE 11 HE1 PHE 11 -0.782 2.248 -5.784
92 HE2 PHE 11 HE2 PHE 11 -1.660 -1.598 -7.483
93 HZ PHE 11 HZ PHE 11 -0.532 0.606 -7.626
94 H PHE 12 H PHE 12 -3.065 0.792 -0.718
95 HA PHE 12 HA PHE 12 -0.707 2.349 -1.161
96 HB2 PHE 12 HB2 PHE 12 -2.954 2.199 0.800
97 HB3 PHE 12 HB3 PHE 12 -1.539 3.131 1.290
98 HD1 PHE 12 HD1 PHE 12 -3.340 2.627 -1.976
99 HD2 PHE 12 HD2 PHE 12 -1.850 5.412 0.938
100 HE1 PHE 12 HE1 PHE 12 -4.088 4.513 -3.398
101 HE2 PHE 12 HE2 PHE 12 -2.600 7.297 -0.486
102 HZ PHE 12 HZ PHE 12 -3.718 6.850 -2.652
103 H LEU 13 H LEU 13 -1.518 0.014 1.435
104 HA LEU 13 HA LEU 13 0.897 0.266 2.943
105 HB2 LEU 13 HB2 LEU 13 -1.376 -0.917 3.415
106 HB3 LEU 13 HB3 LEU 13 -0.660 -2.296 2.580
107 HG LEU 13 HG LEU 13 1.352 -1.957 4.184
108 HD11 LEU 13 HD11 LEU 13 -0.810 -0.290 5.484
109 HD12 LEU 13 HD12 LEU 13 0.861 0.164 5.146
110 HD13 LEU 13 HD13 LEU 13 0.504 -1.007 6.416
111 HD21 LEU 13 HD21 LEU 13 -1.340 -2.889 5.235
112 HD22 LEU 13 HD22 LEU 13 0.224 -3.308 5.932
113 HD23 LEU 13 HD23 LEU 13 -0.197 -3.866 4.313
114 H LEU 14 H LEU 14 0.066 -1.788 0.145
115 HA LEU 14 HA LEU 14 2.440 -3.392 0.108
116 HB2 LEU 14 HB2 LEU 14 0.229 -3.682 -1.140
117 HB3 LEU 14 HB3 LEU 14 0.801 -2.445 -2.259
118 HG LEU 14 HG LEU 14 2.807 -4.523 -1.773
119 HD11 LEU 14 HD11 LEU 14 0.182 -5.303 -3.084
120 HD12 LEU 14 HD12 LEU 14 0.785 -5.928 -1.549
121 HD13 LEU 14 HD13 LEU 14 1.645 -6.287 -3.045
122 HD21 LEU 14 HD21 LEU 14 2.779 -2.765 -3.589
123 HD22 LEU 14 HD22 LEU 14 1.425 -3.625 -4.321
124 HD23 LEU 14 HD23 LEU 14 2.997 -4.411 -4.184
125 H VAL 15 H VAL 15 1.633 -0.347 -1.556
126 HA VAL 15 HA VAL 15 4.191 -0.038 -2.875
127 HB VAL 15 HB VAL 15 1.939 1.863 -2.131
128 HG11 VAL 15 HG11 VAL 15 4.490 2.299 -3.677
129 HG12 VAL 15 HG12 VAL 15 3.744 3.334 -2.459
130 HG13 VAL 15 HG13 VAL 15 3.039 3.221 -4.072
131 HG21 VAL 15 HG21 VAL 15 1.202 0.219 -3.713
132 HG22 VAL 15 HG22 VAL 15 2.701 0.336 -4.634
133 HG23 VAL 15 HG23 VAL 15 1.549 1.672 -4.649
134 H PHE 16 H PHE 16 2.877 1.025 0.253
135 HA PHE 16 HA PHE 16 4.958 2.844 1.000
136 HB2 PHE 16 HB2 PHE 16 2.617 2.314 2.011
137 HB3 PHE 16 HB3 PHE 16 3.453 1.040 2.898
138 HD1 PHE 16 HD1 PHE 16 3.193 4.694 2.375
139 HD2 PHE 16 HD2 PHE 16 5.021 1.557 4.671
140 HE1 PHE 16 HE1 PHE 16 3.990 6.365 4.024
141 HE2 PHE 16 HE2 PHE 16 5.817 3.228 6.321
142 HZ PHE 16 HZ PHE 16 5.303 5.632 5.997
143 H GLY 17 H GLY 17 4.664 -0.697 1.362
144 HA2 GLY 17 HA2 GLY 17 6.962 -1.085 3.024
145 HA3 GLY 17 HA3 GLY 17 6.262 -2.312 1.966
146 H GLU 18 H GLU 18 6.588 -1.154 -0.535
147 HA GLU 18 HA GLU 18 9.332 -1.704 -1.151
148 HB2 GLU 18 HB2 GLU 18 7.203 -1.738 -2.618
149 HB3 GLU 18 HB3 GLU 18 7.433 0.003 -2.778
150 HG2 GLU 18 HG2 GLU 18 8.602 -0.777 -4.636
151 HG3 GLU 18 HG3 GLU 18 9.893 -0.680 -3.438
152 H ASN 19 H ASN 19 7.586 1.324 -0.567
153 HA ASN 19 HA ASN 19 9.771 3.105 -1.214
154 HB2 ASN 19 HB2 ASN 19 7.131 3.213 0.191
155 HB3 ASN 19 HB3 ASN 19 8.253 4.547 0.463
156 HD21 ASN 19 HD21 ASN 19 6.338 2.884 -2.026
157 HD22 ASN 19 HD22 ASN 19 6.494 4.101 -3.198
158 H GLY 20 H GLY 20 8.658 1.526 1.753
159 HA2 GLY 20 HA2 GLY 20 10.473 2.828 3.559
160 HA3 GLY 20 HA3 GLY 20 9.664 1.288 3.860
161 H VAL 21 H VAL 21 10.670 -0.226 1.698
162 HA VAL 21 HA VAL 21 13.224 -1.075 2.702
163 HB VAL 21 HB VAL 21 11.752 -1.512 0.084
164 HG11 VAL 21 HG11 VAL 21 13.280 -3.585 -0.007
165 HG12 VAL 21 HG12 VAL 21 14.297 -2.739 1.159
166 HG13 VAL 21 HG13 VAL 21 14.010 -2.038 -0.433
167 HG21 VAL 21 HG21 VAL 21 11.104 -2.355 2.605
168 HG22 VAL 21 HG22 VAL 21 12.118 -3.689 2.058
169 HG23 VAL 21 HG23 VAL 21 10.685 -3.235 1.135
170 H PHE 22 H PHE 22 12.314 1.199 0.163
171 HA PHE 22 HA PHE 22 14.952 1.465 -1.009
172 HB2 PHE 22 HB2 PHE 22 12.610 2.003 -1.960
173 HB3 PHE 22 HB3 PHE 22 12.724 3.506 -1.044
174 HD1 PHE 22 HD1 PHE 22 14.343 1.477 -3.710
175 HD2 PHE 22 HD2 PHE 22 14.121 5.305 -1.770
176 HE1 PHE 22 HE1 PHE 22 15.744 2.467 -5.500
177 HE2 PHE 22 HE2 PHE 22 15.523 6.293 -3.560
178 HZ PHE 22 HZ PHE 22 16.334 4.875 -5.425
179 H PHE 23 H PHE 23 13.326 2.921 1.727
180 HA PHE 23 HA PHE 23 15.295 5.110 1.986
181 HB2 PHE 23 HB2 PHE 23 12.738 4.213 3.254
182 HB3 PHE 23 HB3 PHE 23 13.806 5.231 4.218
183 HD1 PHE 23 HD1 PHE 23 12.542 5.061 0.677
184 HD2 PHE 23 HD2 PHE 23 13.466 7.526 4.072
185 HE1 PHE 23 HE1 PHE 23 11.757 7.058 -0.561
186 HE2 PHE 23 HE2 PHE 23 12.681 9.525 2.831
187 HZ PHE 23 HZ PHE 23 11.827 9.291 0.516
188 H TYR 24 H TYR 24 16.389 2.415 2.109
189 HA TYR 24 HA TYR 24 17.557 2.488 4.850
190 HB2 TYR 24 HB2 TYR 24 15.685 0.564 3.738
191 HB3 TYR 24 HB3 TYR 24 17.202 -0.229 4.153
192 HD1 TYR 24 HD1 TYR 24 18.185 0.187 6.489
193 HD2 TYR 24 HD2 TYR 24 14.141 1.169 5.422
194 HE1 TYR 24 HE1 TYR 24 17.566 0.246 8.890
195 HE2 TYR 24 HE2 TYR 24 13.522 1.228 7.823
196 HH TYR 24 HH TYR 24 14.862 -0.104 10.100
197 H LYS 25 H LYS 25 18.756 3.389 2.426
198 HA LYS 25 HA LYS 25 20.475 1.232 1.372
199 HB2 LYS 25 HB2 LYS 25 20.125 4.199 0.882
200 HB3 LYS 25 HB3 LYS 25 21.401 3.273 0.092
201 HG2 LYS 25 HG2 LYS 25 18.854 1.890 -0.101
202 HG3 LYS 25 HG3 LYS 25 18.734 3.520 -0.763
203 HD2 LYS 25 HD2 LYS 25 21.090 1.794 -1.480
204 HD3 LYS 25 HD3 LYS 25 19.551 1.561 -2.309
205 HE2 LYS 25 HE2 LYS 25 19.609 3.683 -3.301
206 HE3 LYS 25 HE3 LYS 25 20.684 4.344 -2.053
207 HZ1 LYS 25 HZ1 LYS 25 22.439 2.870 -2.833
208 HZ2 LYS 25 HZ2 LYS 25 21.908 3.877 -4.094
209 HZ3 LYS 25 HZ3 LYS 25 21.418 2.252 -4.039
Start of MODEL 15
1 HA HIS 1 HA HIS 1 -21.870 -6.412 3.197
2 HB2 HIS 1 HB2 HIS 1 -20.327 -4.837 5.242
3 HB3 HIS 1 HB3 HIS 1 -20.554 -4.159 3.631
4 HD1 HIS 1 HD1 HIS 1 -22.185 -4.378 6.841
5 HD2 HIS 1 HD2 HIS 1 -23.497 -4.212 2.886
6 HE1 HIS 1 HE1 HIS 1 -24.624 -3.699 6.923
7 H ALA 2 H ALA 2 -20.506 -5.406 1.403
8 HA ALA 2 HA ALA 2 -18.271 -7.152 0.740
9 HB1 ALA 2 HB1 ALA 2 -19.352 -4.622 -0.548
10 HB2 ALA 2 HB2 ALA 2 -19.903 -6.262 -0.893
11 HB3 ALA 2 HB3 ALA 2 -18.262 -5.775 -1.319
12 H TRP 3 H TRP 3 -16.060 -6.635 0.733
13 HA TRP 3 HA TRP 3 -15.263 -4.278 2.354
14 HB2 TRP 3 HB2 TRP 3 -13.952 -6.816 1.367
15 HB3 TRP 3 HB3 TRP 3 -12.992 -5.519 2.078
16 HD1 TRP 3 HD1 TRP 3 -13.343 -4.976 4.651
17 HE1 TRP 3 HE1 TRP 3 -14.386 -6.335 6.578
18 HE3 TRP 3 HE3 TRP 3 -15.823 -8.547 1.971
19 HZ2 TRP 3 HZ2 TRP 3 -16.052 -8.633 6.935
20 HZ3 TRP 3 HZ3 TRP 3 -17.129 -10.306 3.127
21 HH2 TRP 3 HH2 TRP 3 -17.246 -10.354 5.604
22 H TYR 4 H TYR 4 -15.853 -2.763 0.557
23 HA TYR 4 HA TYR 4 -14.047 -2.811 -1.801
24 HB2 TYR 4 HB2 TYR 4 -15.604 -1.259 -2.741
25 HB3 TYR 4 HB3 TYR 4 -16.579 -2.432 -1.864
26 HD1 TYR 4 HD1 TYR 4 -17.674 -1.834 0.260
27 HD2 TYR 4 HD2 TYR 4 -15.351 1.031 -1.943
28 HE1 TYR 4 HE1 TYR 4 -18.652 -0.002 1.611
29 HE2 TYR 4 HE2 TYR 4 -16.332 2.864 -0.591
30 HH TYR 4 HH TYR 4 -18.856 2.919 0.872
31 H SER 5 H SER 5 -14.090 -1.459 1.313
32 HA SER 5 HA SER 5 -12.379 0.854 0.479
33 HB2 SER 5 HB2 SER 5 -14.159 0.235 2.834
34 HB3 SER 5 HB3 SER 5 -12.938 1.501 2.941
35 HG SER 5 HG SER 5 -15.051 2.196 2.201
36 H HIS 6 H HIS 6 -11.738 -2.193 1.069
37 HA HIS 6 HA HIS 6 -9.666 -1.747 3.179
38 HB2 HIS 6 HB2 HIS 6 -11.326 -4.035 2.208
39 HB3 HIS 6 HB3 HIS 6 -9.725 -4.412 2.842
40 HD1 HIS 6 HD1 HIS 6 -12.450 -1.978 3.994
41 HD2 HIS 6 HD2 HIS 6 -10.032 -5.018 5.509
42 HE1 HIS 6 HE1 HIS 6 -12.983 -2.154 6.462
43 H TYR 7 H TYR 7 -10.161 -3.097 -0.071
44 HA TYR 7 HA TYR 7 -7.465 -3.876 -0.600
45 HB2 TYR 7 HB2 TYR 7 -9.737 -2.922 -2.370
46 HB3 TYR 7 HB3 TYR 7 -8.246 -3.615 -3.005
47 HD1 TYR 7 HD1 TYR 7 -7.534 -5.934 -1.925
48 HD2 TYR 7 HD2 TYR 7 -11.527 -4.347 -1.906
49 HE1 TYR 7 HE1 TYR 7 -8.441 -8.214 -1.558
50 HE2 TYR 7 HE2 TYR 7 -12.431 -6.625 -1.539
51 HH TYR 7 HH TYR 7 -11.031 -9.282 -2.170
52 H VAL 8 H VAL 8 -9.163 -0.795 -1.075
53 HA VAL 8 HA VAL 8 -7.061 0.621 -2.398
54 HB VAL 8 HB VAL 8 -9.465 1.298 -2.213
55 HG11 VAL 8 HG11 VAL 8 -10.356 2.214 -0.192
56 HG12 VAL 8 HG12 VAL 8 -8.774 2.216 0.588
57 HG13 VAL 8 HG13 VAL 8 -9.596 0.690 0.264
58 HG21 VAL 8 HG21 VAL 8 -7.753 2.961 -2.831
59 HG22 VAL 8 HG22 VAL 8 -7.483 3.324 -1.127
60 HG23 VAL 8 HG23 VAL 8 -9.033 3.708 -1.876
61 H LEU 9 H LEU 9 -7.688 -0.044 1.014
62 HA LEU 9 HA LEU 9 -5.657 1.771 2.051
63 HB2 LEU 9 HB2 LEU 9 -7.784 0.693 3.143
64 HB3 LEU 9 HB3 LEU 9 -6.725 -0.685 3.442
65 HG LEU 9 HG LEU 9 -5.638 1.987 4.168
66 HD11 LEU 9 HD11 LEU 9 -7.888 2.275 5.001
67 HD12 LEU 9 HD12 LEU 9 -6.857 1.872 6.374
68 HD13 LEU 9 HD13 LEU 9 -7.904 0.641 5.666
69 HD21 LEU 9 HD21 LEU 9 -4.621 -0.396 4.489
70 HD22 LEU 9 HD22 LEU 9 -5.741 -0.515 5.846
71 HD23 LEU 9 HD23 LEU 9 -4.513 0.750 5.826
72 H LYS 10 H LYS 10 -5.794 -1.715 1.260
73 HA LYS 10 HA LYS 10 -3.171 -2.384 2.263
74 HB2 LYS 10 HB2 LYS 10 -5.191 -3.866 1.607
75 HB3 LYS 10 HB3 LYS 10 -4.609 -3.702 -0.050
76 HG2 LYS 10 HG2 LYS 10 -3.426 -5.586 0.532
77 HG3 LYS 10 HG3 LYS 10 -2.290 -4.376 1.128
78 HD2 LYS 10 HD2 LYS 10 -3.094 -4.592 3.374
79 HD3 LYS 10 HD3 LYS 10 -4.487 -5.539 2.853
80 HE2 LYS 10 HE2 LYS 10 -3.140 -7.305 3.484
81 HE3 LYS 10 HE3 LYS 10 -2.468 -7.079 1.857
82 HZ1 LYS 10 HZ1 LYS 10 -0.704 -7.021 3.505
83 HZ2 LYS 10 HZ2 LYS 10 -1.490 -5.772 4.346
84 HZ3 LYS 10 HZ3 LYS 10 -0.874 -5.494 2.787
85 H PHE 11 H PHE 11 -4.360 -1.327 -0.935
86 HA PHE 11 HA PHE 11 -1.935 -1.645 -2.413
87 HB2 PHE 11 HB2 PHE 11 -4.181 -1.233 -3.366
88 HB3 PHE 11 HB3 PHE 11 -4.187 0.383 -2.660
89 HD1 PHE 11 HD1 PHE 11 -2.211 -1.809 -4.971
90 HD2 PHE 11 HD2 PHE 11 -3.298 2.196 -3.859
91 HE1 PHE 11 HE1 PHE 11 -1.011 -0.930 -6.957
92 HE2 PHE 11 HE2 PHE 11 -2.099 3.073 -5.843
93 HZ PHE 11 HZ PHE 11 -0.956 1.510 -7.392
94 H PHE 12 H PHE 12 -3.213 1.190 -0.617
95 HA PHE 12 HA PHE 12 -1.029 2.966 -1.163
96 HB2 PHE 12 HB2 PHE 12 -3.393 2.787 0.534
97 HB3 PHE 12 HB3 PHE 12 -2.056 3.548 1.395
98 HD1 PHE 12 HD1 PHE 12 -0.868 5.518 0.342
99 HD2 PHE 12 HD2 PHE 12 -4.544 3.930 -1.215
100 HE1 PHE 12 HE1 PHE 12 -1.237 7.616 -0.929
101 HE2 PHE 12 HE2 PHE 12 -4.912 6.027 -2.485
102 HZ PHE 12 HZ PHE 12 -3.259 7.870 -2.342
103 H LEU 13 H LEU 13 -1.591 0.613 1.458
104 HA LEU 13 HA LEU 13 0.826 1.207 2.939
105 HB2 LEU 13 HB2 LEU 13 -1.500 -0.299 3.239
106 HB3 LEU 13 HB3 LEU 13 -0.241 -1.526 3.120
107 HG LEU 13 HG LEU 13 -0.570 -0.873 5.463
108 HD11 LEU 13 HD11 LEU 13 1.710 -0.504 6.026
109 HD12 LEU 13 HD12 LEU 13 2.017 0.379 4.530
110 HD13 LEU 13 HD13 LEU 13 1.751 -1.363 4.486
111 HD21 LEU 13 HD21 LEU 13 -0.302 1.373 6.233
112 HD22 LEU 13 HD22 LEU 13 -1.367 1.475 4.832
113 HD23 LEU 13 HD23 LEU 13 0.335 1.906 4.678
114 H LEU 14 H LEU 14 0.021 -1.012 0.289
115 HA LEU 14 HA LEU 14 2.438 -2.577 0.357
116 HB2 LEU 14 HB2 LEU 14 0.012 -2.516 -1.025
117 HB3 LEU 14 HB3 LEU 14 1.209 -2.186 -2.274
118 HG LEU 14 HG LEU 14 0.860 -4.595 -2.104
119 HD11 LEU 14 HD11 LEU 14 3.206 -3.583 -2.420
120 HD12 LEU 14 HD12 LEU 14 3.129 -5.272 -1.925
121 HD13 LEU 14 HD13 LEU 14 3.493 -4.022 -0.736
122 HD21 LEU 14 HD21 LEU 14 1.048 -5.816 -0.089
123 HD22 LEU 14 HD22 LEU 14 0.159 -4.368 0.386
124 HD23 LEU 14 HD23 LEU 14 1.883 -4.499 0.735
125 H VAL 15 H VAL 15 1.509 0.361 -1.419
126 HA VAL 15 HA VAL 15 3.887 0.604 -3.012
127 HB VAL 15 HB VAL 15 1.826 2.566 -1.954
128 HG11 VAL 15 HG11 VAL 15 2.763 3.984 -3.934
129 HG12 VAL 15 HG12 VAL 15 4.216 3.003 -3.739
130 HG13 VAL 15 HG13 VAL 15 3.638 3.998 -2.404
131 HG21 VAL 15 HG21 VAL 15 2.284 1.496 -4.754
132 HG22 VAL 15 HG22 VAL 15 0.889 2.402 -4.170
133 HG23 VAL 15 HG23 VAL 15 1.170 0.755 -3.607
134 H PHE 16 H PHE 16 3.000 2.093 0.131
135 HA PHE 16 HA PHE 16 5.514 3.450 0.529
136 HB2 PHE 16 HB2 PHE 16 3.167 3.737 1.621
137 HB3 PHE 16 HB3 PHE 16 3.677 2.442 2.706
138 HD1 PHE 16 HD1 PHE 16 4.686 5.798 1.404
139 HD2 PHE 16 HD2 PHE 16 5.096 2.892 4.540
140 HE1 PHE 16 HE1 PHE 16 5.977 7.433 2.749
141 HE2 PHE 16 HE2 PHE 16 6.386 4.527 5.886
142 HZ PHE 16 HZ PHE 16 6.827 6.797 4.991
143 H GLY 17 H GLY 17 4.296 0.235 1.479
144 HA2 GLY 17 HA2 GLY 17 6.474 -0.514 3.173
145 HA3 GLY 17 HA3 GLY 17 5.414 -1.645 2.330
146 H GLU 18 H GLU 18 5.955 -0.974 -0.339
147 HA GLU 18 HA GLU 18 8.329 -2.442 -0.903
148 HB2 GLU 18 HB2 GLU 18 6.203 -1.665 -2.309
149 HB3 GLU 18 HB3 GLU 18 7.283 -0.354 -2.785
150 HG2 GLU 18 HG2 GLU 18 8.539 -1.715 -4.092
151 HG3 GLU 18 HG3 GLU 18 8.555 -3.002 -2.885
152 H ASN 19 H ASN 19 7.768 1.048 -0.639
153 HA ASN 19 HA ASN 19 10.356 1.937 -1.501
154 HB2 ASN 19 HB2 ASN 19 8.035 2.994 0.056
155 HB3 ASN 19 HB3 ASN 19 9.555 3.882 0.173
156 HD21 ASN 19 HD21 ASN 19 7.002 2.866 -2.083
157 HD22 ASN 19 HD22 ASN 19 7.465 3.909 -3.339
158 H GLY 20 H GLY 20 9.095 0.899 1.635
159 HA2 GLY 20 HA2 GLY 20 11.548 1.583 3.077
160 HA3 GLY 20 HA3 GLY 20 10.169 0.703 3.736
161 H VAL 21 H VAL 21 10.082 -1.352 1.690
162 HA VAL 21 HA VAL 21 11.853 -3.291 2.782
163 HB VAL 21 HB VAL 21 10.271 -3.057 0.217
164 HG11 VAL 21 HG11 VAL 21 10.651 -5.643 0.194
165 HG12 VAL 21 HG12 VAL 21 12.088 -5.275 1.147
166 HG13 VAL 21 HG13 VAL 21 11.906 -4.599 -0.473
167 HG21 VAL 21 HG21 VAL 21 9.833 -5.034 2.437
168 HG22 VAL 21 HG22 VAL 21 8.656 -4.317 1.337
169 HG23 VAL 21 HG23 VAL 21 9.322 -3.362 2.661
170 H PHE 22 H PHE 22 12.400 -0.928 0.254
171 HA PHE 22 HA PHE 22 14.967 -2.267 -0.498
172 HB2 PHE 22 HB2 PHE 22 13.242 -0.116 -1.760
173 HB3 PHE 22 HB3 PHE 22 14.823 -0.569 -2.393
174 HD1 PHE 22 HD1 PHE 22 14.887 -3.481 -2.025
175 HD2 PHE 22 HD2 PHE 22 11.655 -0.943 -3.279
176 HE1 PHE 22 HE1 PHE 22 13.855 -5.388 -3.227
177 HE2 PHE 22 HE2 PHE 22 10.624 -2.852 -4.480
178 HZ PHE 22 HZ PHE 22 11.724 -5.074 -4.454
179 H PHE 23 H PHE 23 14.492 -0.656 2.038
180 HA PHE 23 HA PHE 23 16.911 1.002 1.856
181 HB2 PHE 23 HB2 PHE 23 14.446 2.112 1.167
182 HB3 PHE 23 HB3 PHE 23 14.680 2.627 2.837
183 HD1 PHE 23 HD1 PHE 23 16.643 3.981 3.480
184 HD2 PHE 23 HD2 PHE 23 15.920 2.870 -0.606
185 HE1 PHE 23 HE1 PHE 23 18.282 5.683 2.726
186 HE2 PHE 23 HE2 PHE 23 17.559 4.571 -1.360
187 HZ PHE 23 HZ PHE 23 18.739 5.978 0.307
188 H TYR 24 H TYR 24 15.911 -1.279 3.524
189 HA TYR 24 HA TYR 24 16.158 0.046 6.199
190 HB2 TYR 24 HB2 TYR 24 14.344 -1.198 7.026
191 HB3 TYR 24 HB3 TYR 24 13.820 -0.773 5.401
192 HD1 TYR 24 HD1 TYR 24 14.231 -2.491 3.517
193 HD2 TYR 24 HD2 TYR 24 14.500 -3.454 7.694
194 HE1 TYR 24 HE1 TYR 24 13.975 -4.897 2.979
195 HE2 TYR 24 HE2 TYR 24 14.241 -5.860 7.155
196 HH TYR 24 HH TYR 24 14.456 -7.063 3.941
197 H LYS 25 H LYS 25 17.390 -2.341 4.092
198 HA LYS 25 HA LYS 25 19.062 -3.442 6.292
199 HB2 LYS 25 HB2 LYS 25 16.829 -4.743 5.508
200 HB3 LYS 25 HB3 LYS 25 17.958 -5.371 4.307
201 HG2 LYS 25 HG2 LYS 25 18.347 -6.894 5.992
202 HG3 LYS 25 HG3 LYS 25 19.507 -5.655 6.469
203 HD2 LYS 25 HD2 LYS 25 18.440 -5.687 8.471
204 HD3 LYS 25 HD3 LYS 25 17.185 -4.756 7.650
205 HE2 LYS 25 HE2 LYS 25 15.966 -6.559 8.569
206 HE3 LYS 25 HE3 LYS 25 16.291 -7.128 6.919
207 HZ1 LYS 25 HZ1 LYS 25 18.393 -8.106 7.813
208 HZ2 LYS 25 HZ2 LYS 25 16.978 -8.843 8.397
209 HZ3 LYS 25 HZ3 LYS 25 17.837 -7.754 9.377
Start of MODEL 16
1 HA HIS 1 HA HIS 1 -20.171 0.403 6.858
2 HB2 HIS 1 HB2 HIS 1 -22.277 -1.398 5.644
3 HB3 HIS 1 HB3 HIS 1 -20.731 -2.039 6.199
4 HD1 HIS 1 HD1 HIS 1 -24.052 -1.251 7.392
5 HD2 HIS 1 HD2 HIS 1 -20.240 -1.263 9.081
6 HE1 HIS 1 HE1 HIS 1 -24.381 -1.262 9.903
7 H ALA 2 H ALA 2 -18.253 -0.177 5.784
8 HA ALA 2 HA ALA 2 -18.337 -0.096 2.781
9 HB1 ALA 2 HB1 ALA 2 -15.970 0.612 4.512
10 HB2 ALA 2 HB2 ALA 2 -17.259 1.782 4.230
11 HB3 ALA 2 HB3 ALA 2 -16.332 1.148 2.872
12 H TRP 3 H TRP 3 -17.587 -1.922 1.775
13 HA TRP 3 HA TRP 3 -16.137 -3.965 3.423
14 HB2 TRP 3 HB2 TRP 3 -18.375 -4.504 2.433
15 HB3 TRP 3 HB3 TRP 3 -17.697 -4.226 0.829
16 HD1 TRP 3 HD1 TRP 3 -17.644 -6.683 3.731
17 HE1 TRP 3 HE1 TRP 3 -16.479 -8.854 2.971
18 HE3 TRP 3 HE3 TRP 3 -15.908 -5.198 -0.834
19 HZ2 TRP 3 HZ2 TRP 3 -15.003 -9.831 0.720
20 HZ3 TRP 3 HZ3 TRP 3 -14.627 -6.765 -2.265
21 HH2 TRP 3 HH2 TRP 3 -14.174 -9.078 -1.494
22 H TYR 4 H TYR 4 -16.222 -2.582 0.114
23 HA TYR 4 HA TYR 4 -13.612 -3.711 -0.577
24 HB2 TYR 4 HB2 TYR 4 -14.058 -2.721 -2.721
25 HB3 TYR 4 HB3 TYR 4 -15.607 -3.299 -2.111
26 HD1 TYR 4 HD1 TYR 4 -13.549 -0.328 -2.826
27 HD2 TYR 4 HD2 TYR 4 -17.331 -1.727 -1.343
28 HE1 TYR 4 HE1 TYR 4 -14.470 1.965 -3.009
29 HE2 TYR 4 HE2 TYR 4 -18.250 0.567 -1.527
30 HH TYR 4 HH TYR 4 -16.451 3.254 -1.769
31 H SER 5 H SER 5 -14.442 -1.112 1.350
32 HA SER 5 HA SER 5 -12.651 0.953 0.456
33 HB2 SER 5 HB2 SER 5 -14.612 1.174 2.000
34 HB3 SER 5 HB3 SER 5 -13.691 0.320 3.234
35 HG SER 5 HG SER 5 -13.065 2.292 3.684
36 H HIS 6 H HIS 6 -11.997 -2.077 1.957
37 HA HIS 6 HA HIS 6 -9.538 -1.184 3.310
38 HB2 HIS 6 HB2 HIS 6 -11.195 -3.047 4.006
39 HB3 HIS 6 HB3 HIS 6 -10.417 -4.020 2.755
40 HD1 HIS 6 HD1 HIS 6 -9.360 -1.899 5.753
41 HD2 HIS 6 HD2 HIS 6 -8.151 -5.305 3.672
42 HE1 HIS 6 HE1 HIS 6 -7.360 -2.828 6.998
43 H TYR 7 H TYR 7 -10.452 -2.640 0.245
44 HA TYR 7 HA TYR 7 -7.958 -3.739 -0.566
45 HB2 TYR 7 HB2 TYR 7 -10.340 -2.529 -1.966
46 HB3 TYR 7 HB3 TYR 7 -8.952 -3.089 -2.899
47 HD1 TYR 7 HD1 TYR 7 -8.290 -5.475 -2.873
48 HD2 TYR 7 HD2 TYR 7 -11.806 -4.086 -0.834
49 HE1 TYR 7 HE1 TYR 7 -9.109 -7.809 -2.695
50 HE2 TYR 7 HE2 TYR 7 -12.625 -6.418 -0.657
51 HH TYR 7 HH TYR 7 -11.354 -8.817 -0.642
52 H VAL 8 H VAL 8 -9.258 -0.456 -1.094
53 HA VAL 8 HA VAL 8 -6.971 0.608 -2.438
54 HB VAL 8 HB VAL 8 -9.301 1.578 -2.273
55 HG11 VAL 8 HG11 VAL 8 -9.972 2.798 -0.328
56 HG12 VAL 8 HG12 VAL 8 -8.376 2.637 0.407
57 HG13 VAL 8 HG13 VAL 8 -9.419 1.224 0.245
58 HG21 VAL 8 HG21 VAL 8 -7.099 3.468 -1.390
59 HG22 VAL 8 HG22 VAL 8 -8.556 3.893 -2.288
60 HG23 VAL 8 HG23 VAL 8 -7.312 2.898 -3.044
61 H LEU 9 H LEU 9 -7.690 0.134 0.975
62 HA LEU 9 HA LEU 9 -5.543 1.751 2.050
63 HB2 LEU 9 HB2 LEU 9 -7.722 0.723 3.102
64 HB3 LEU 9 HB3 LEU 9 -6.713 -0.700 3.364
65 HG LEU 9 HG LEU 9 -5.484 1.873 4.164
66 HD11 LEU 9 HD11 LEU 9 -7.847 0.696 5.660
67 HD12 LEU 9 HD12 LEU 9 -7.789 2.281 4.889
68 HD13 LEU 9 HD13 LEU 9 -6.772 1.945 6.290
69 HD21 LEU 9 HD21 LEU 9 -4.526 0.537 5.852
70 HD22 LEU 9 HD22 LEU 9 -4.681 -0.586 4.502
71 HD23 LEU 9 HD23 LEU 9 -5.855 -0.622 5.817
72 H LYS 10 H LYS 10 -5.861 -1.724 1.225
73 HA LYS 10 HA LYS 10 -3.250 -2.521 2.155
74 HB2 LYS 10 HB2 LYS 10 -5.409 -3.851 1.437
75 HB3 LYS 10 HB3 LYS 10 -4.690 -3.784 -0.173
76 HG2 LYS 10 HG2 LYS 10 -2.954 -5.180 0.391
77 HG3 LYS 10 HG3 LYS 10 -2.893 -4.604 2.057
78 HD2 LYS 10 HD2 LYS 10 -5.250 -5.778 2.235
79 HD3 LYS 10 HD3 LYS 10 -4.675 -6.690 0.839
80 HE2 LYS 10 HE2 LYS 10 -3.772 -8.047 2.471
81 HE3 LYS 10 HE3 LYS 10 -2.475 -6.837 2.449
82 HZ1 LYS 10 HZ1 LYS 10 -4.886 -6.804 4.194
83 HZ2 LYS 10 HZ2 LYS 10 -3.727 -5.562 4.119
84 HZ3 LYS 10 HZ3 LYS 10 -3.292 -7.101 4.694
85 H PHE 11 H PHE 11 -4.461 -1.353 -0.990
86 HA PHE 11 HA PHE 11 -2.113 -1.746 -2.557
87 HB2 PHE 11 HB2 PHE 11 -4.293 -1.180 -3.489
88 HB3 PHE 11 HB3 PHE 11 -4.314 0.348 -2.609
89 HD1 PHE 11 HD1 PHE 11 -2.372 -1.553 -5.184
90 HD2 PHE 11 HD2 PHE 11 -3.403 2.294 -3.573
91 HE1 PHE 11 HE1 PHE 11 -1.196 -0.448 -7.067
92 HE2 PHE 11 HE2 PHE 11 -2.227 3.398 -5.455
93 HZ PHE 11 HZ PHE 11 -1.122 2.027 -7.202
94 H PHE 12 H PHE 12 -3.124 1.037 -0.544
95 HA PHE 12 HA PHE 12 -0.901 2.750 -1.130
96 HB2 PHE 12 HB2 PHE 12 -3.120 2.519 0.791
97 HB3 PHE 12 HB3 PHE 12 -1.703 3.323 1.465
98 HD1 PHE 12 HD1 PHE 12 -4.232 3.425 -1.241
99 HD2 PHE 12 HD2 PHE 12 -0.972 5.477 0.662
100 HE1 PHE 12 HE1 PHE 12 -4.803 5.491 -2.489
101 HE2 PHE 12 HE2 PHE 12 -1.544 7.543 -0.586
102 HZ PHE 12 HZ PHE 12 -3.460 7.548 -2.162
103 H LEU 13 H LEU 13 -1.421 0.371 1.496
104 HA LEU 13 HA LEU 13 1.096 0.778 2.827
105 HB2 LEU 13 HB2 LEU 13 -0.968 -0.352 3.716
106 HB3 LEU 13 HB3 LEU 13 -0.633 -1.712 2.644
107 HG LEU 13 HG LEU 13 1.650 -1.880 3.747
108 HD11 LEU 13 HD11 LEU 13 1.718 -0.846 6.068
109 HD12 LEU 13 HD12 LEU 13 0.325 0.124 5.592
110 HD13 LEU 13 HD13 LEU 13 1.857 0.301 4.736
111 HD21 LEU 13 HD21 LEU 13 -0.688 -2.204 5.648
112 HD22 LEU 13 HD22 LEU 13 0.803 -3.145 5.616
113 HD23 LEU 13 HD23 LEU 13 -0.370 -3.306 4.308
114 H LEU 14 H LEU 14 0.099 -1.309 0.127
115 HA LEU 14 HA LEU 14 2.462 -2.930 -0.033
116 HB2 LEU 14 HB2 LEU 14 0.217 -3.309 -1.117
117 HB3 LEU 14 HB3 LEU 14 0.596 -2.004 -2.239
118 HG LEU 14 HG LEU 14 2.819 -3.823 -2.159
119 HD11 LEU 14 HD11 LEU 14 1.768 -5.863 -2.956
120 HD12 LEU 14 HD12 LEU 14 0.171 -5.120 -2.868
121 HD13 LEU 14 HD13 LEU 14 1.073 -5.452 -1.389
122 HD21 LEU 14 HD21 LEU 14 0.784 -3.423 -4.367
123 HD22 LEU 14 HD22 LEU 14 2.490 -3.836 -4.535
124 HD23 LEU 14 HD23 LEU 14 2.022 -2.227 -3.986
125 H VAL 15 H VAL 15 1.573 0.156 -1.551
126 HA VAL 15 HA VAL 15 3.992 0.428 -3.127
127 HB VAL 15 HB VAL 15 1.823 2.321 -2.161
128 HG11 VAL 15 HG11 VAL 15 2.804 3.741 -4.138
129 HG12 VAL 15 HG12 VAL 15 4.284 2.835 -3.815
130 HG13 VAL 15 HG13 VAL 15 3.566 3.833 -2.550
131 HG21 VAL 15 HG21 VAL 15 0.970 2.114 -4.403
132 HG22 VAL 15 HG22 VAL 15 1.302 0.477 -3.833
133 HG23 VAL 15 HG23 VAL 15 2.422 1.271 -4.940
134 H PHE 16 H PHE 16 2.911 1.865 -0.020
135 HA PHE 16 HA PHE 16 5.343 3.327 0.490
136 HB2 PHE 16 HB2 PHE 16 2.856 3.286 1.525
137 HB3 PHE 16 HB3 PHE 16 3.663 2.275 2.724
138 HD1 PHE 16 HD1 PHE 16 5.896 3.175 3.714
139 HD2 PHE 16 HD2 PHE 16 3.036 5.626 1.648
140 HE1 PHE 16 HE1 PHE 16 6.872 5.198 4.762
141 HE2 PHE 16 HE2 PHE 16 4.014 7.650 2.696
142 HZ PHE 16 HZ PHE 16 5.932 7.435 4.253
143 H GLY 17 H GLY 17 4.287 0.020 1.267
144 HA2 GLY 17 HA2 GLY 17 6.370 -0.654 3.099
145 HA3 GLY 17 HA3 GLY 17 5.480 -1.814 2.113
146 H GLU 18 H GLU 18 6.192 -0.955 -0.465
147 HA GLU 18 HA GLU 18 8.743 -2.186 -0.846
148 HB2 GLU 18 HB2 GLU 18 6.605 -1.081 -2.386
149 HB3 GLU 18 HB3 GLU 18 8.104 -0.371 -2.981
150 HG2 GLU 18 HG2 GLU 18 7.971 -3.330 -2.470
151 HG3 GLU 18 HG3 GLU 18 7.290 -2.672 -3.957
152 H ASN 19 H ASN 19 7.794 1.217 -0.544
153 HA ASN 19 HA ASN 19 10.316 2.415 -1.180
154 HB2 ASN 19 HB2 ASN 19 7.828 3.135 0.321
155 HB3 ASN 19 HB3 ASN 19 9.241 4.167 0.543
156 HD21 ASN 19 HD21 ASN 19 6.744 3.213 -1.729
157 HD22 ASN 19 HD22 ASN 19 7.196 4.282 -2.967
158 H GLY 20 H GLY 20 8.989 1.087 1.815
159 HA2 GLY 20 HA2 GLY 20 11.244 1.909 3.469
160 HA3 GLY 20 HA3 GLY 20 9.965 0.788 3.945
161 H VAL 21 H VAL 21 10.201 -1.127 1.890
162 HA VAL 21 HA VAL 21 12.292 -2.818 2.844
163 HB VAL 21 HB VAL 21 10.677 -2.738 0.278
164 HG11 VAL 21 HG11 VAL 21 12.520 -4.897 1.345
165 HG12 VAL 21 HG12 VAL 21 12.664 -4.043 -0.192
166 HG13 VAL 21 HG13 VAL 21 11.328 -5.163 0.072
167 HG21 VAL 21 HG21 VAL 21 9.703 -3.129 2.705
168 HG22 VAL 21 HG22 VAL 21 10.383 -4.742 2.495
169 HG23 VAL 21 HG23 VAL 21 9.168 -4.143 1.366
170 H PHE 22 H PHE 22 12.194 -0.527 0.156
171 HA PHE 22 HA PHE 22 14.619 -1.236 -1.164
172 HB2 PHE 22 HB2 PHE 22 12.685 0.361 -1.803
173 HB3 PHE 22 HB3 PHE 22 13.545 1.569 -0.851
174 HD1 PHE 22 HD1 PHE 22 15.762 2.381 -1.540
175 HD2 PHE 22 HD2 PHE 22 13.588 -0.471 -3.904
176 HE1 PHE 22 HE1 PHE 22 17.279 2.813 -3.455
177 HE2 PHE 22 HE2 PHE 22 15.104 -0.040 -5.819
178 HZ PHE 22 HZ PHE 22 16.949 1.603 -5.595
179 H PHE 23 H PHE 23 14.021 0.764 1.690
180 HA PHE 23 HA PHE 23 16.898 1.514 1.855
181 HB2 PHE 23 HB2 PHE 23 14.509 2.810 2.370
182 HB3 PHE 23 HB3 PHE 23 15.047 2.352 3.986
183 HD1 PHE 23 HD1 PHE 23 15.995 4.186 0.899
184 HD2 PHE 23 HD2 PHE 23 16.973 3.366 5.001
185 HE1 PHE 23 HE1 PHE 23 17.655 6.028 0.872
186 HE2 PHE 23 HE2 PHE 23 18.632 5.208 4.974
187 HZ PHE 23 HZ PHE 23 18.973 6.539 2.909
188 H TYR 24 H TYR 24 15.703 -1.295 2.439
189 HA TYR 24 HA TYR 24 16.868 -1.574 5.191
190 HB2 TYR 24 HB2 TYR 24 14.256 -2.267 4.051
191 HB3 TYR 24 HB3 TYR 24 15.031 -3.641 4.837
192 HD1 TYR 24 HD1 TYR 24 13.898 -0.136 5.334
193 HD2 TYR 24 HD2 TYR 24 15.290 -3.738 7.213
194 HE1 TYR 24 HE1 TYR 24 13.296 0.790 7.553
195 HE2 TYR 24 HE2 TYR 24 14.689 -2.812 9.433
196 HH TYR 24 HH TYR 24 14.316 0.166 10.142
197 H LYS 25 H LYS 25 18.298 -1.880 2.665
198 HA LYS 25 HA LYS 25 19.004 -4.781 2.868
199 HB2 LYS 25 HB2 LYS 25 18.038 -3.180 0.538
200 HB3 LYS 25 HB3 LYS 25 19.311 -4.360 0.225
201 HG2 LYS 25 HG2 LYS 25 16.925 -5.187 1.848
202 HG3 LYS 25 HG3 LYS 25 16.778 -5.091 0.094
203 HD2 LYS 25 HD2 LYS 25 18.934 -6.500 0.011
204 HD3 LYS 25 HD3 LYS 25 18.639 -6.829 1.717
205 HE2 LYS 25 HE2 LYS 25 16.255 -7.196 0.010
206 HE3 LYS 25 HE3 LYS 25 17.582 -8.321 -0.340
207 HZ1 LYS 25 HZ1 LYS 25 16.530 -7.728 2.380
208 HZ2 LYS 25 HZ2 LYS 25 17.747 -8.850 1.994
209 HZ3 LYS 25 HZ3 LYS 25 16.150 -9.115 1.480
Start of MODEL 17
1 HA HIS 1 HA HIS 1 -19.566 -2.013 5.005
2 HB2 HIS 1 HB2 HIS 1 -18.788 -1.316 7.820
3 HB3 HIS 1 HB3 HIS 1 -18.980 -0.008 6.653
4 HD1 HIS 1 HD1 HIS 1 -21.376 -0.042 5.321
5 HD2 HIS 1 HD2 HIS 1 -21.187 -2.224 8.869
6 HE1 HIS 1 HE1 HIS 1 -23.769 -0.467 6.030
7 H ALA 2 H ALA 2 -18.403 -0.039 4.134
8 HA ALA 2 HA ALA 2 -16.542 0.968 3.100
9 HB1 ALA 2 HB1 ALA 2 -14.707 1.299 4.517
10 HB2 ALA 2 HB2 ALA 2 -14.810 -0.327 5.191
11 HB3 ALA 2 HB3 ALA 2 -15.982 0.901 5.668
12 H TRP 3 H TRP 3 -16.396 -0.191 1.165
13 HA TRP 3 HA TRP 3 -14.945 -2.798 1.153
14 HB2 TRP 3 HB2 TRP 3 -16.728 -1.276 -0.755
15 HB3 TRP 3 HB3 TRP 3 -15.789 -2.665 -1.302
16 HD1 TRP 3 HD1 TRP 3 -18.742 -1.702 0.881
17 HE1 TRP 3 HE1 TRP 3 -19.998 -3.839 1.591
18 HE3 TRP 3 HE3 TRP 3 -15.481 -5.248 -0.814
19 HZ2 TRP 3 HZ2 TRP 3 -19.663 -6.678 1.458
20 HZ3 TRP 3 HZ3 TRP 3 -15.974 -7.658 -0.511
21 HH2 TRP 3 HH2 TRP 3 -18.059 -8.376 0.623
22 H TYR 4 H TYR 4 -14.979 0.163 -0.882
23 HA TYR 4 HA TYR 4 -12.421 -0.277 -2.079
24 HB2 TYR 4 HB2 TYR 4 -12.714 1.965 -2.911
25 HB3 TYR 4 HB3 TYR 4 -14.319 1.249 -2.816
26 HD1 TYR 4 HD1 TYR 4 -11.992 3.680 -1.301
27 HD2 TYR 4 HD2 TYR 4 -15.941 1.994 -1.147
28 HE1 TYR 4 HE1 TYR 4 -12.719 5.516 0.198
29 HE2 TYR 4 HE2 TYR 4 -16.666 3.830 0.353
30 HH TYR 4 HH TYR 4 -15.289 6.595 0.669
31 H SER 5 H SER 5 -13.303 1.051 1.028
32 HA SER 5 HA SER 5 -10.971 2.593 1.612
33 HB2 SER 5 HB2 SER 5 -12.892 1.016 3.344
34 HB3 SER 5 HB3 SER 5 -11.714 2.161 3.981
35 HG SER 5 HG SER 5 -14.074 2.592 2.597
36 H HIS 6 H HIS 6 -11.579 -0.881 1.793
37 HA HIS 6 HA HIS 6 -9.096 -1.444 3.250
38 HB2 HIS 6 HB2 HIS 6 -11.446 -2.708 3.063
39 HB3 HIS 6 HB3 HIS 6 -10.625 -3.516 1.727
40 HD1 HIS 6 HD1 HIS 6 -8.293 -4.713 2.351
41 HD2 HIS 6 HD2 HIS 6 -10.663 -3.588 5.592
42 HE1 HIS 6 HE1 HIS 6 -7.401 -5.969 4.360
43 H TYR 7 H TYR 7 -10.200 -1.475 -0.107
44 HA TYR 7 HA TYR 7 -7.962 -2.862 -1.248
45 HB2 TYR 7 HB2 TYR 7 -9.985 -0.852 -2.258
46 HB3 TYR 7 HB3 TYR 7 -8.756 -1.536 -3.321
47 HD1 TYR 7 HD1 TYR 7 -8.541 -4.162 -3.290
48 HD2 TYR 7 HD2 TYR 7 -12.002 -1.996 -1.964
49 HE1 TYR 7 HE1 TYR 7 -9.929 -6.198 -3.580
50 HE2 TYR 7 HE2 TYR 7 -13.389 -4.028 -2.251
51 HH TYR 7 HH TYR 7 -12.991 -6.299 -3.928
52 H VAL 8 H VAL 8 -8.587 0.615 -0.741
53 HA VAL 8 HA VAL 8 -6.085 1.519 -1.851
54 HB VAL 8 HB VAL 8 -8.145 2.899 -1.495
55 HG11 VAL 8 HG11 VAL 8 -8.846 2.082 0.680
56 HG12 VAL 8 HG12 VAL 8 -8.517 3.808 0.811
57 HG13 VAL 8 HG13 VAL 8 -7.345 2.640 1.419
58 HG21 VAL 8 HG21 VAL 8 -6.981 4.917 -0.844
59 HG22 VAL 8 HG22 VAL 8 -5.844 3.906 -1.734
60 HG23 VAL 8 HG23 VAL 8 -5.759 3.989 0.026
61 H LEU 9 H LEU 9 -7.024 0.267 1.288
62 HA LEU 9 HA LEU 9 -4.668 1.147 2.745
63 HB2 LEU 9 HB2 LEU 9 -7.023 0.345 3.546
64 HB3 LEU 9 HB3 LEU 9 -6.361 -1.279 3.359
65 HG LEU 9 HG LEU 9 -4.388 -0.451 4.795
66 HD11 LEU 9 HD11 LEU 9 -4.764 1.926 4.704
67 HD12 LEU 9 HD12 LEU 9 -5.086 1.415 6.362
68 HD13 LEU 9 HD13 LEU 9 -6.426 1.741 5.262
69 HD21 LEU 9 HD21 LEU 9 -5.592 -0.948 6.859
70 HD22 LEU 9 HD22 LEU 9 -6.206 -1.988 5.574
71 HD23 LEU 9 HD23 LEU 9 -7.133 -0.577 6.086
72 H LYS 10 H LYS 10 -5.601 -1.809 0.972
73 HA LYS 10 HA LYS 10 -3.217 -3.324 1.622
74 HB2 LYS 10 HB2 LYS 10 -5.633 -3.518 -0.016
75 HB3 LYS 10 HB3 LYS 10 -4.233 -4.207 -0.839
76 HG2 LYS 10 HG2 LYS 10 -3.755 -5.645 1.063
77 HG3 LYS 10 HG3 LYS 10 -5.041 -4.887 2.003
78 HD2 LYS 10 HD2 LYS 10 -6.105 -6.810 1.205
79 HD3 LYS 10 HD3 LYS 10 -6.570 -5.610 -0.001
80 HE2 LYS 10 HE2 LYS 10 -5.811 -7.325 -1.394
81 HE3 LYS 10 HE3 LYS 10 -4.299 -6.426 -1.164
82 HZ1 LYS 10 HZ1 LYS 10 -5.235 -8.773 0.405
83 HZ2 LYS 10 HZ2 LYS 10 -3.881 -7.832 0.820
84 HZ3 LYS 10 HZ3 LYS 10 -3.894 -8.713 -0.633
85 H PHE 11 H PHE 11 -4.184 -1.346 -1.204
86 HA PHE 11 HA PHE 11 -1.799 -1.687 -2.749
87 HB2 PHE 11 HB2 PHE 11 -4.120 -0.680 -3.319
88 HB3 PHE 11 HB3 PHE 11 -3.500 0.815 -2.620
89 HD1 PHE 11 HD1 PHE 11 -3.017 -1.684 -5.319
90 HD2 PHE 11 HD2 PHE 11 -1.855 2.148 -3.763
91 HE1 PHE 11 HE1 PHE 11 -1.847 -1.175 -7.446
92 HE2 PHE 11 HE2 PHE 11 -0.686 2.657 -5.890
93 HZ PHE 11 HZ PHE 11 -0.682 0.996 -7.732
94 H PHE 12 H PHE 12 -2.711 0.801 -0.331
95 HA PHE 12 HA PHE 12 -0.294 2.344 -0.503
96 HB2 PHE 12 HB2 PHE 12 -2.443 3.063 0.531
97 HB3 PHE 12 HB3 PHE 12 -2.205 1.879 1.817
98 HD1 PHE 12 HD1 PHE 12 -0.684 4.893 0.216
99 HD2 PHE 12 HD2 PHE 12 -0.849 2.376 3.694
100 HE1 PHE 12 HE1 PHE 12 0.708 6.522 1.461
101 HE2 PHE 12 HE2 PHE 12 0.543 4.007 4.940
102 HZ PHE 12 HZ PHE 12 1.323 6.080 3.823
103 H LEU 13 H LEU 13 -1.271 -0.356 1.637
104 HA LEU 13 HA LEU 13 1.109 -0.475 3.217
105 HB2 LEU 13 HB2 LEU 13 -1.044 -1.580 3.734
106 HB3 LEU 13 HB3 LEU 13 -0.836 -2.641 2.341
107 HG LEU 13 HG LEU 13 1.493 -2.650 4.121
108 HD11 LEU 13 HD11 LEU 13 0.482 -3.776 5.991
109 HD12 LEU 13 HD12 LEU 13 -1.091 -3.812 5.193
110 HD13 LEU 13 HD13 LEU 13 -0.417 -2.278 5.748
111 HD21 LEU 13 HD21 LEU 13 1.172 -5.093 3.871
112 HD22 LEU 13 HD22 LEU 13 1.097 -4.280 2.307
113 HD23 LEU 13 HD23 LEU 13 -0.389 -4.807 3.100
114 H LEU 14 H LEU 14 0.353 -1.743 -0.002
115 HA LEU 14 HA LEU 14 2.799 -3.372 -0.140
116 HB2 LEU 14 HB2 LEU 14 0.346 -3.522 -1.280
117 HB3 LEU 14 HB3 LEU 14 1.212 -2.673 -2.559
118 HG LEU 14 HG LEU 14 3.042 -4.515 -2.176
119 HD11 LEU 14 HD11 LEU 14 0.544 -5.885 -1.129
120 HD12 LEU 14 HD12 LEU 14 1.955 -5.461 -0.159
121 HD13 LEU 14 HD13 LEU 14 2.097 -6.663 -1.441
122 HD21 LEU 14 HD21 LEU 14 0.395 -4.822 -3.594
123 HD22 LEU 14 HD22 LEU 14 1.632 -6.074 -3.703
124 HD23 LEU 14 HD23 LEU 14 1.975 -4.444 -4.282
125 H VAL 15 H VAL 15 1.542 -0.563 -1.967
126 HA VAL 15 HA VAL 15 3.995 0.035 -3.325
127 HB VAL 15 HB VAL 15 1.542 1.660 -2.581
128 HG11 VAL 15 HG11 VAL 15 2.493 3.059 -4.628
129 HG12 VAL 15 HG12 VAL 15 4.038 2.426 -4.057
130 HG13 VAL 15 HG13 VAL 15 3.031 3.398 -2.983
131 HG21 VAL 15 HG21 VAL 15 0.760 0.224 -4.186
132 HG22 VAL 15 HG22 VAL 15 2.372 -0.114 -4.815
133 HG23 VAL 15 HG23 VAL 15 1.537 1.367 -5.283
134 H PHE 16 H PHE 16 2.518 1.708 -0.490
135 HA PHE 16 HA PHE 16 4.853 3.310 0.064
136 HB2 PHE 16 HB2 PHE 16 2.326 3.478 0.796
137 HB3 PHE 16 HB3 PHE 16 2.848 2.471 2.148
138 HD1 PHE 16 HD1 PHE 16 3.381 5.714 0.420
139 HD2 PHE 16 HD2 PHE 16 4.235 3.346 3.901
140 HE1 PHE 16 HE1 PHE 16 4.329 7.710 1.547
141 HE2 PHE 16 HE2 PHE 16 5.180 5.341 5.027
142 HZ PHE 16 HZ PHE 16 5.229 7.524 3.850
143 H GLY 17 H GLY 17 3.791 0.093 1.142
144 HA2 GLY 17 HA2 GLY 17 5.675 -0.246 3.269
145 HA3 GLY 17 HA3 GLY 17 4.916 -1.562 2.370
146 H GLU 18 H GLU 18 5.842 -1.392 -0.139
147 HA GLU 18 HA GLU 18 8.555 -2.304 0.013
148 HB2 GLU 18 HB2 GLU 18 6.520 -1.669 -2.054
149 HB3 GLU 18 HB3 GLU 18 8.194 -1.647 -2.609
150 HG2 GLU 18 HG2 GLU 18 8.252 -3.896 -2.625
151 HG3 GLU 18 HG3 GLU 18 7.805 -3.943 -0.920
152 H ASN 19 H ASN 19 7.153 0.855 -0.779
153 HA ASN 19 HA ASN 19 9.562 2.146 -1.657
154 HB2 ASN 19 HB2 ASN 19 6.850 2.894 -0.682
155 HB3 ASN 19 HB3 ASN 19 8.082 4.153 -0.592
156 HD21 ASN 19 HD21 ASN 19 6.513 1.887 -2.895
157 HD22 ASN 19 HD22 ASN 19 6.858 2.814 -4.274
158 H GLY 20 H GLY 20 8.092 1.707 1.536
159 HA2 GLY 20 HA2 GLY 20 10.112 3.274 2.934
160 HA3 GLY 20 HA3 GLY 20 8.897 2.242 3.690
161 H VAL 21 H VAL 21 9.500 -0.198 2.361
162 HA VAL 21 HA VAL 21 11.571 -1.284 3.971
163 HB VAL 21 HB VAL 21 10.243 -2.091 1.376
164 HG11 VAL 21 HG11 VAL 21 11.351 -4.412 2.331
165 HG12 VAL 21 HG12 VAL 21 12.635 -3.251 2.663
166 HG13 VAL 21 HG13 VAL 21 12.033 -3.453 1.019
167 HG21 VAL 21 HG21 VAL 21 10.124 -3.503 4.034
168 HG22 VAL 21 HG22 VAL 21 8.936 -3.498 2.730
169 HG23 VAL 21 HG23 VAL 21 9.136 -2.071 3.746
170 H PHE 22 H PHE 22 11.762 -0.816 0.436
171 HA PHE 22 HA PHE 22 13.533 -0.142 -0.961
172 HB2 PHE 22 HB2 PHE 22 13.595 1.611 0.974
173 HB3 PHE 22 HB3 PHE 22 15.014 0.718 1.520
174 HD1 PHE 22 HD1 PHE 22 16.968 0.410 -0.066
175 HD2 PHE 22 HD2 PHE 22 13.714 3.093 -0.886
176 HE1 PHE 22 HE1 PHE 22 18.357 1.578 -1.758
177 HE2 PHE 22 HE2 PHE 22 15.103 4.260 -2.577
178 HZ PHE 22 HZ PHE 22 17.423 3.503 -3.013
179 H PHE 23 H PHE 23 14.880 -1.407 2.081
180 HA PHE 23 HA PHE 23 16.315 -3.517 0.527
181 HB2 PHE 23 HB2 PHE 23 17.565 -1.275 1.333
182 HB3 PHE 23 HB3 PHE 23 17.692 -2.203 2.828
183 HD1 PHE 23 HD1 PHE 23 18.439 -2.272 -0.820
184 HD2 PHE 23 HD2 PHE 23 19.210 -4.031 3.024
185 HE1 PHE 23 HE1 PHE 23 20.310 -3.578 -1.791
186 HE2 PHE 23 HE2 PHE 23 21.080 -5.337 2.051
187 HZ PHE 23 HZ PHE 23 21.630 -5.111 -0.356
188 H TYR 24 H TYR 24 16.012 -2.415 3.915
189 HA TYR 24 HA TYR 24 15.575 -3.631 5.896
190 HB2 TYR 24 HB2 TYR 24 13.449 -3.523 4.249
191 HB3 TYR 24 HB3 TYR 24 13.624 -5.272 4.345
192 HD1 TYR 24 HD1 TYR 24 13.721 -6.366 6.653
193 HD2 TYR 24 HD2 TYR 24 12.520 -2.286 6.044
194 HE1 TYR 24 HE1 TYR 24 12.656 -6.345 8.890
195 HE2 TYR 24 HE2 TYR 24 11.455 -2.267 8.283
196 HH TYR 24 HH TYR 24 10.478 -4.566 9.873
197 H LYS 25 H LYS 25 17.842 -4.665 4.752
198 HA LYS 25 HA LYS 25 17.556 -7.598 5.269
199 HB2 LYS 25 HB2 LYS 25 18.272 -6.185 2.792
200 HB3 LYS 25 HB3 LYS 25 19.460 -7.401 3.257
201 HG2 LYS 25 HG2 LYS 25 16.545 -8.107 3.360
202 HG3 LYS 25 HG3 LYS 25 17.366 -8.087 1.799
203 HD2 LYS 25 HD2 LYS 25 18.635 -9.519 4.117
204 HD3 LYS 25 HD3 LYS 25 17.334 -10.301 3.219
205 HE2 LYS 25 HE2 LYS 25 19.528 -9.049 1.612
206 HE3 LYS 25 HE3 LYS 25 19.892 -10.566 2.458
207 HZ1 LYS 25 HZ1 LYS 25 17.537 -10.099 0.698
208 HZ2 LYS 25 HZ2 LYS 25 17.903 -11.549 1.507
209 HZ3 LYS 25 HZ3 LYS 25 18.918 -10.985 0.268
Start of MODEL 18
1 HA HIS 1 HA HIS 1 -19.607 3.254 3.103
2 HB2 HIS 1 HB2 HIS 1 -20.981 2.086 4.902
3 HB3 HIS 1 HB3 HIS 1 -21.548 3.693 4.462
4 HD1 HIS 1 HD1 HIS 1 -22.417 0.044 4.109
5 HD2 HIS 1 HD2 HIS 1 -24.078 3.752 3.176
6 HE1 HIS 1 HE1 HIS 1 -24.817 -0.396 3.431
7 H ALA 2 H ALA 2 -19.203 1.853 0.831
8 HA ALA 2 HA ALA 2 -19.757 -1.017 1.187
9 HB1 ALA 2 HB1 ALA 2 -18.221 -1.024 -0.916
10 HB2 ALA 2 HB2 ALA 2 -18.329 0.733 -0.818
11 HB3 ALA 2 HB3 ALA 2 -19.790 -0.228 -1.044
12 H TRP 3 H TRP 3 -17.760 -2.533 0.913
13 HA TRP 3 HA TRP 3 -15.811 -1.852 3.028
14 HB2 TRP 3 HB2 TRP 3 -17.171 -4.114 2.257
15 HB3 TRP 3 HB3 TRP 3 -15.584 -4.399 1.545
16 HD1 TRP 3 HD1 TRP 3 -17.232 -3.634 4.936
17 HE1 TRP 3 HE1 TRP 3 -15.684 -4.500 6.807
18 HE3 TRP 3 HE3 TRP 3 -13.217 -5.109 2.147
19 HZ2 TRP 3 HZ2 TRP 3 -13.087 -5.667 7.083
20 HZ3 TRP 3 HZ3 TRP 3 -11.222 -6.095 3.238
21 HH2 TRP 3 HH2 TRP 3 -11.152 -6.376 5.700
22 H TYR 4 H TYR 4 -14.980 -0.102 1.382
23 HA TYR 4 HA TYR 4 -12.931 -1.317 -0.440
24 HB2 TYR 4 HB2 TYR 4 -13.123 0.804 -1.696
25 HB3 TYR 4 HB3 TYR 4 -14.699 0.037 -1.523
26 HD1 TYR 4 HD1 TYR 4 -12.499 2.726 -0.179
27 HD2 TYR 4 HD2 TYR 4 -16.471 1.096 -0.315
28 HE1 TYR 4 HE1 TYR 4 -13.374 4.763 0.927
29 HE2 TYR 4 HE2 TYR 4 -17.345 3.135 0.789
30 HH TYR 4 HH TYR 4 -15.912 5.924 0.899
31 H SER 5 H SER 5 -13.298 0.351 2.499
32 HA SER 5 HA SER 5 -11.063 2.140 2.482
33 HB2 SER 5 HB2 SER 5 -13.005 1.949 4.123
34 HB3 SER 5 HB3 SER 5 -12.166 0.568 4.825
35 HG SER 5 HG SER 5 -11.424 2.261 5.967
36 H HIS 6 H HIS 6 -11.301 -1.330 3.025
37 HA HIS 6 HA HIS 6 -8.546 -1.576 4.017
38 HB2 HIS 6 HB2 HIS 6 -10.717 -3.524 3.191
39 HB3 HIS 6 HB3 HIS 6 -9.149 -4.040 3.811
40 HD1 HIS 6 HD1 HIS 6 -12.355 -2.397 4.858
41 HD2 HIS 6 HD2 HIS 6 -8.743 -3.547 6.593
42 HE1 HIS 6 HE1 HIS 6 -12.668 -2.199 7.362
43 H TYR 7 H TYR 7 -10.229 -1.835 0.948
44 HA TYR 7 HA TYR 7 -8.171 -3.238 -0.508
45 HB2 TYR 7 HB2 TYR 7 -10.506 -1.448 -1.202
46 HB3 TYR 7 HB3 TYR 7 -9.441 -2.072 -2.462
47 HD1 TYR 7 HD1 TYR 7 -11.696 -3.080 0.327
48 HD2 TYR 7 HD2 TYR 7 -9.595 -4.331 -3.204
49 HE1 TYR 7 HE1 TYR 7 -12.907 -5.239 0.371
50 HE2 TYR 7 HE2 TYR 7 -10.810 -6.493 -3.158
51 HH TYR 7 HH TYR 7 -12.278 -7.722 -0.627
52 H VAL 8 H VAL 8 -8.975 0.229 -0.216
53 HA VAL 8 HA VAL 8 -6.787 1.196 -1.799
54 HB VAL 8 HB VAL 8 -8.867 2.438 -1.102
55 HG11 VAL 8 HG11 VAL 8 -8.859 3.509 1.135
56 HG12 VAL 8 HG12 VAL 8 -7.407 2.599 1.554
57 HG13 VAL 8 HG13 VAL 8 -8.925 1.752 1.252
58 HG21 VAL 8 HG21 VAL 8 -7.749 4.598 -0.819
59 HG22 VAL 8 HG22 VAL 8 -6.854 3.613 -1.976
60 HG23 VAL 8 HG23 VAL 8 -6.263 3.787 -0.324
61 H LEU 9 H LEU 9 -7.002 0.118 1.535
62 HA LEU 9 HA LEU 9 -4.502 1.289 2.444
63 HB2 LEU 9 HB2 LEU 9 -6.524 0.447 3.793
64 HB3 LEU 9 HB3 LEU 9 -5.906 -1.179 3.500
65 HG LEU 9 HG LEU 9 -3.648 -0.210 4.400
66 HD11 LEU 9 HD11 LEU 9 -4.417 2.142 4.433
67 HD12 LEU 9 HD12 LEU 9 -3.962 1.596 6.047
68 HD13 LEU 9 HD13 LEU 9 -5.665 1.713 5.603
69 HD21 LEU 9 HD21 LEU 9 -4.332 -0.787 6.706
70 HD22 LEU 9 HD22 LEU 9 -4.997 -1.933 5.543
71 HD23 LEU 9 HD23 LEU 9 -6.027 -0.676 6.230
72 H LYS 10 H LYS 10 -5.462 -1.855 1.048
73 HA LYS 10 HA LYS 10 -2.921 -3.177 1.380
74 HB2 LYS 10 HB2 LYS 10 -5.506 -3.715 0.389
75 HB3 LYS 10 HB3 LYS 10 -4.423 -3.984 -0.977
76 HG2 LYS 10 HG2 LYS 10 -3.001 -5.425 0.489
77 HG3 LYS 10 HG3 LYS 10 -4.192 -5.233 1.777
78 HD2 LYS 10 HD2 LYS 10 -5.479 -6.014 -0.707
79 HD3 LYS 10 HD3 LYS 10 -4.221 -7.166 -0.263
80 HE2 LYS 10 HE2 LYS 10 -6.196 -7.938 0.851
81 HE3 LYS 10 HE3 LYS 10 -5.259 -7.113 2.111
82 HZ1 LYS 10 HZ1 LYS 10 -7.322 -5.780 0.434
83 HZ2 LYS 10 HZ2 LYS 10 -6.509 -5.121 1.773
84 HZ3 LYS 10 HZ3 LYS 10 -7.622 -6.386 1.989
85 H PHE 11 H PHE 11 -4.324 -1.275 -1.305
86 HA PHE 11 HA PHE 11 -2.152 -1.605 -3.155
87 HB2 PHE 11 HB2 PHE 11 -4.395 -0.817 -3.765
88 HB3 PHE 11 HB3 PHE 11 -4.197 0.608 -2.747
89 HD1 PHE 11 HD1 PHE 11 -2.794 -1.139 -5.735
90 HD2 PHE 11 HD2 PHE 11 -3.125 2.553 -3.565
91 HE1 PHE 11 HE1 PHE 11 -1.716 0.064 -7.616
92 HE2 PHE 11 HE2 PHE 11 -2.048 3.756 -5.445
93 HZ PHE 11 HZ PHE 11 -1.343 2.511 -7.472
94 H PHE 12 H PHE 12 -2.764 0.768 -0.565
95 HA PHE 12 HA PHE 12 -0.537 2.509 -1.165
96 HB2 PHE 12 HB2 PHE 12 -2.481 2.009 1.039
97 HB3 PHE 12 HB3 PHE 12 -1.009 2.872 1.478
98 HD1 PHE 12 HD1 PHE 12 -3.383 2.860 -1.443
99 HD2 PHE 12 HD2 PHE 12 -1.202 5.186 1.436
100 HE1 PHE 12 HE1 PHE 12 -4.306 4.939 -2.425
101 HE2 PHE 12 HE2 PHE 12 -2.126 7.265 0.452
102 HZ PHE 12 HZ PHE 12 -3.677 7.143 -1.478
103 H LEU 13 H LEU 13 -0.929 -0.313 0.989
104 HA LEU 13 HA LEU 13 1.687 -0.172 2.196
105 HB2 LEU 13 HB2 LEU 13 -0.513 -1.464 2.809
106 HB3 LEU 13 HB3 LEU 13 0.127 -2.710 1.738
107 HG LEU 13 HG LEU 13 2.318 -2.477 3.104
108 HD11 LEU 13 HD11 LEU 13 0.307 -1.177 4.969
109 HD12 LEU 13 HD12 LEU 13 1.751 -0.423 4.293
110 HD13 LEU 13 HD13 LEU 13 1.906 -1.737 5.458
111 HD21 LEU 13 HD21 LEU 13 0.818 -4.437 3.208
112 HD22 LEU 13 HD22 LEU 13 -0.187 -3.608 4.396
113 HD23 LEU 13 HD23 LEU 13 1.468 -4.060 4.803
114 H LEU 14 H LEU 14 0.470 -1.615 -0.804
115 HA LEU 14 HA LEU 14 2.819 -3.223 -1.348
116 HB2 LEU 14 HB2 LEU 14 0.335 -3.278 -2.234
117 HB3 LEU 14 HB3 LEU 14 0.949 -2.154 -3.446
118 HG LEU 14 HG LEU 14 2.855 -3.892 -3.778
119 HD11 LEU 14 HD11 LEU 14 0.726 -5.657 -2.528
120 HD12 LEU 14 HD12 LEU 14 2.239 -5.208 -1.741
121 HD13 LEU 14 HD13 LEU 14 2.265 -6.187 -3.207
122 HD21 LEU 14 HD21 LEU 14 1.041 -3.413 -5.414
123 HD22 LEU 14 HD22 LEU 14 0.014 -4.590 -4.595
124 HD23 LEU 14 HD23 LEU 14 1.486 -5.118 -5.407
125 H VAL 15 H VAL 15 1.980 0.129 -1.913
126 HA VAL 15 HA VAL 15 4.368 0.481 -3.676
127 HB VAL 15 HB VAL 15 1.917 2.162 -3.048
128 HG11 VAL 15 HG11 VAL 15 2.921 3.542 -5.040
129 HG12 VAL 15 HG12 VAL 15 4.449 2.817 -4.540
130 HG13 VAL 15 HG13 VAL 15 3.537 3.818 -3.411
131 HG21 VAL 15 HG21 VAL 15 2.890 0.894 -5.631
132 HG22 VAL 15 HG22 VAL 15 1.365 1.748 -5.393
133 HG23 VAL 15 HG23 VAL 15 1.647 0.205 -4.588
134 H PHE 16 H PHE 16 2.758 2.215 -0.966
135 HA PHE 16 HA PHE 16 5.188 3.659 -0.252
136 HB2 PHE 16 HB2 PHE 16 2.684 4.281 0.027
137 HB3 PHE 16 HB3 PHE 16 2.732 3.256 1.462
138 HD1 PHE 16 HD1 PHE 16 4.205 6.272 -0.137
139 HD2 PHE 16 HD2 PHE 16 3.827 3.968 3.469
140 HE1 PHE 16 HE1 PHE 16 5.231 8.124 1.153
141 HE2 PHE 16 HE2 PHE 16 4.853 5.821 4.760
142 HZ PHE 16 HZ PHE 16 5.555 7.899 3.602
143 H GLY 17 H GLY 17 3.572 0.701 0.908
144 HA2 GLY 17 HA2 GLY 17 5.131 0.431 3.323
145 HA3 GLY 17 HA3 GLY 17 4.237 -0.869 2.532
146 H GLU 18 H GLU 18 5.433 -1.098 0.091
147 HA GLU 18 HA GLU 18 7.839 -2.535 0.630
148 HB2 GLU 18 HB2 GLU 18 6.205 -1.695 -1.666
149 HB3 GLU 18 HB3 GLU 18 7.914 -1.878 -2.059
150 HG2 GLU 18 HG2 GLU 18 7.269 -4.067 -2.345
151 HG3 GLU 18 HG3 GLU 18 7.594 -4.118 -0.613
152 H ASN 19 H ASN 19 7.289 0.850 -0.108
153 HA ASN 19 HA ASN 19 10.025 1.475 -0.858
154 HB2 ASN 19 HB2 ASN 19 7.463 2.844 -0.343
155 HB3 ASN 19 HB3 ASN 19 8.889 3.814 0.028
156 HD21 ASN 19 HD21 ASN 19 7.165 2.150 -2.593
157 HD22 ASN 19 HD22 ASN 19 8.050 2.863 -3.856
158 H GLY 20 H GLY 20 8.334 1.118 2.178
159 HA2 GLY 20 HA2 GLY 20 10.624 2.334 3.653
160 HA3 GLY 20 HA3 GLY 20 9.025 2.044 4.333
161 H VAL 21 H VAL 21 8.947 -0.719 3.091
162 HA VAL 21 HA VAL 21 10.566 -2.045 5.213
163 HB VAL 21 HB VAL 21 8.257 -2.945 3.463
164 HG11 VAL 21 HG11 VAL 21 9.774 -4.363 5.670
165 HG12 VAL 21 HG12 VAL 21 9.561 -4.896 4.002
166 HG13 VAL 21 HG13 VAL 21 8.185 -4.877 5.104
167 HG21 VAL 21 HG21 VAL 21 7.459 -1.380 5.075
168 HG22 VAL 21 HG22 VAL 21 8.504 -2.033 6.337
169 HG23 VAL 21 HG23 VAL 21 7.120 -2.967 5.768
170 H PHE 22 H PHE 22 10.014 -2.138 1.703
171 HA PHE 22 HA PHE 22 12.212 -4.134 1.415
172 HB2 PHE 22 HB2 PHE 22 9.685 -3.811 0.275
173 HB3 PHE 22 HB3 PHE 22 10.794 -3.306 -0.999
174 HD1 PHE 22 HD1 PHE 22 12.472 -4.861 -1.909
175 HD2 PHE 22 HD2 PHE 22 9.670 -6.098 1.105
176 HE1 PHE 22 HE1 PHE 22 13.021 -7.235 -2.372
177 HE2 PHE 22 HE2 PHE 22 10.220 -8.472 0.641
178 HZ PHE 22 HZ PHE 22 11.895 -9.040 -1.097
179 H PHE 23 H PHE 23 11.743 -0.758 1.193
180 HA PHE 23 HA PHE 23 14.244 -0.511 -0.440
181 HB2 PHE 23 HB2 PHE 23 11.512 0.444 -0.930
182 HB3 PHE 23 HB3 PHE 23 12.714 1.730 -1.036
183 HD1 PHE 23 HD1 PHE 23 14.786 1.334 -2.496
184 HD2 PHE 23 HD2 PHE 23 11.274 -1.133 -2.678
185 HE1 PHE 23 HE1 PHE 23 15.487 0.501 -4.723
186 HE2 PHE 23 HE2 PHE 23 11.975 -1.967 -4.906
187 HZ PHE 23 HZ PHE 23 14.082 -1.149 -5.928
188 H TYR 24 H TYR 24 14.071 -0.445 2.436
189 HA TYR 24 HA TYR 24 15.018 2.342 2.909
190 HB2 TYR 24 HB2 TYR 24 12.467 1.466 3.557
191 HB3 TYR 24 HB3 TYR 24 13.345 1.263 5.071
192 HD1 TYR 24 HD1 TYR 24 12.782 3.743 2.317
193 HD2 TYR 24 HD2 TYR 24 13.710 3.112 6.463
194 HE1 TYR 24 HE1 TYR 24 12.648 6.186 2.718
195 HE2 TYR 24 HE2 TYR 24 13.580 5.555 6.864
196 HH TYR 24 HH TYR 24 12.126 7.601 5.277
197 H LYS 25 H LYS 25 16.307 -0.373 2.740
198 HA LYS 25 HA LYS 25 17.930 -1.634 3.889
199 HB2 LYS 25 HB2 LYS 25 17.944 1.103 5.149
200 HB3 LYS 25 HB3 LYS 25 19.009 -0.152 5.780
201 HG2 LYS 25 HG2 LYS 25 20.427 0.637 4.168
202 HG3 LYS 25 HG3 LYS 25 19.492 -0.440 3.132
203 HD2 LYS 25 HD2 LYS 25 19.516 1.654 1.997
204 HD3 LYS 25 HD3 LYS 25 17.920 1.547 2.739
205 HE2 LYS 25 HE2 LYS 25 19.237 2.743 4.771
206 HE3 LYS 25 HE3 LYS 25 20.197 3.354 3.410
207 HZ1 LYS 25 HZ1 LYS 25 18.256 4.758 3.821
208 HZ2 LYS 25 HZ2 LYS 25 17.227 3.426 3.595
209 HZ3 LYS 25 HZ3 LYS 25 18.157 4.017 2.300
Start of MODEL 19
1 HA HIS 1 HA HIS 1 -15.781 3.784 9.364
2 HB2 HIS 1 HB2 HIS 1 -13.546 2.639 9.220
3 HB3 HIS 1 HB3 HIS 1 -14.212 2.651 10.850
4 HD1 HIS 1 HD1 HIS 1 -14.050 0.316 7.828
5 HD2 HIS 1 HD2 HIS 1 -14.409 0.126 11.978
6 HE1 HIS 1 HE1 HIS 1 -13.974 -2.138 8.442
7 H ALA 2 H ALA 2 -17.833 2.077 8.006
8 HA ALA 2 HA ALA 2 -18.378 1.524 5.780
9 HB1 ALA 2 HB1 ALA 2 -17.200 2.691 4.161
10 HB2 ALA 2 HB2 ALA 2 -15.634 2.319 4.882
11 HB3 ALA 2 HB3 ALA 2 -16.663 3.563 5.595
12 H TRP 3 H TRP 3 -18.067 -0.281 4.348
13 HA TRP 3 HA TRP 3 -16.068 -2.274 5.343
14 HB2 TRP 3 HB2 TRP 3 -18.782 -2.410 5.003
15 HB3 TRP 3 HB3 TRP 3 -18.216 -3.087 3.476
16 HD1 TRP 3 HD1 TRP 3 -17.817 -3.590 7.273
17 HE1 TRP 3 HE1 TRP 3 -17.171 -6.046 7.703
18 HE3 TRP 3 HE3 TRP 3 -17.301 -5.222 2.461
19 HZ2 TRP 3 HZ2 TRP 3 -16.523 -8.395 6.204
20 HZ3 TRP 3 HZ3 TRP 3 -16.670 -7.571 1.992
21 HH2 TRP 3 HH2 TRP 3 -16.280 -9.159 3.855
22 H TYR 4 H TYR 4 -15.833 -0.007 3.140
23 HA TYR 4 HA TYR 4 -14.590 -1.808 1.094
24 HB2 TYR 4 HB2 TYR 4 -15.377 -0.160 -0.609
25 HB3 TYR 4 HB3 TYR 4 -16.710 -0.915 0.257
26 HD1 TYR 4 HD1 TYR 4 -14.701 2.187 -0.091
27 HD2 TYR 4 HD2 TYR 4 -18.143 0.360 1.720
28 HE1 TYR 4 HE1 TYR 4 -15.533 4.422 0.585
29 HE2 TYR 4 HE2 TYR 4 -18.976 2.597 2.392
30 HH TYR 4 HH TYR 4 -18.319 5.240 1.191
31 H SER 5 H SER 5 -13.522 -0.201 3.472
32 HA SER 5 HA SER 5 -11.707 1.676 2.004
33 HB2 SER 5 HB2 SER 5 -13.300 1.985 4.245
34 HB3 SER 5 HB3 SER 5 -11.715 1.671 4.947
35 HG SER 5 HG SER 5 -12.639 3.885 3.734
36 H HIS 6 H HIS 6 -11.436 -1.374 2.289
37 HA HIS 6 HA HIS 6 -8.889 -1.481 3.859
38 HB2 HIS 6 HB2 HIS 6 -10.788 -3.635 2.874
39 HB3 HIS 6 HB3 HIS 6 -9.331 -3.939 3.820
40 HD1 HIS 6 HD1 HIS 6 -9.439 -1.898 6.004
41 HD2 HIS 6 HD2 HIS 6 -12.876 -3.839 4.664
42 HE1 HIS 6 HE1 HIS 6 -11.131 -1.734 7.880
43 H TYR 7 H TYR 7 -10.314 -2.398 0.725
44 HA TYR 7 HA TYR 7 -7.958 -3.511 -0.448
45 HB2 TYR 7 HB2 TYR 7 -10.556 -2.354 -1.359
46 HB3 TYR 7 HB3 TYR 7 -9.293 -2.537 -2.575
47 HD1 TYR 7 HD1 TYR 7 -8.067 -4.855 -2.634
48 HD2 TYR 7 HD2 TYR 7 -11.900 -4.195 -0.810
49 HE1 TYR 7 HE1 TYR 7 -8.557 -7.282 -2.781
50 HE2 TYR 7 HE2 TYR 7 -12.388 -6.621 -0.958
51 HH TYR 7 HH TYR 7 -11.206 -8.624 -2.803
52 H VAL 8 H VAL 8 -9.220 -0.185 -0.432
53 HA VAL 8 HA VAL 8 -7.185 0.987 -2.069
54 HB VAL 8 HB VAL 8 -9.379 2.007 -1.448
55 HG11 VAL 8 HG11 VAL 8 -8.129 2.659 1.227
56 HG12 VAL 8 HG12 VAL 8 -9.165 1.251 1.001
57 HG13 VAL 8 HG13 VAL 8 -9.807 2.870 0.726
58 HG21 VAL 8 HG21 VAL 8 -7.482 3.409 -2.254
59 HG22 VAL 8 HG22 VAL 8 -6.996 3.674 -0.580
60 HG23 VAL 8 HG23 VAL 8 -8.546 4.288 -1.155
61 H LEU 9 H LEU 9 -7.313 0.189 1.367
62 HA LEU 9 HA LEU 9 -4.900 1.615 2.127
63 HB2 LEU 9 HB2 LEU 9 -6.949 0.597 3.480
64 HB3 LEU 9 HB3 LEU 9 -5.922 -0.838 3.529
65 HG LEU 9 HG LEU 9 -4.056 0.811 4.302
66 HD11 LEU 9 HD11 LEU 9 -5.114 2.696 5.670
67 HD12 LEU 9 HD12 LEU 9 -6.592 2.399 4.754
68 HD13 LEU 9 HD13 LEU 9 -5.125 2.913 3.920
69 HD21 LEU 9 HD21 LEU 9 -5.046 -0.932 5.733
70 HD22 LEU 9 HD22 LEU 9 -6.412 0.126 6.091
71 HD23 LEU 9 HD23 LEU 9 -4.796 0.551 6.656
72 H LYS 10 H LYS 10 -5.640 -1.682 1.002
73 HA LYS 10 HA LYS 10 -3.087 -2.884 1.482
74 HB2 LYS 10 HB2 LYS 10 -5.457 -3.324 -0.300
75 HB3 LYS 10 HB3 LYS 10 -3.989 -4.239 -0.640
76 HG2 LYS 10 HG2 LYS 10 -5.030 -4.114 2.176
77 HG3 LYS 10 HG3 LYS 10 -5.773 -5.224 1.024
78 HD2 LYS 10 HD2 LYS 10 -2.779 -5.137 1.347
79 HD3 LYS 10 HD3 LYS 10 -3.773 -6.084 2.454
80 HE2 LYS 10 HE2 LYS 10 -4.620 -7.455 0.672
81 HE3 LYS 10 HE3 LYS 10 -3.958 -6.368 -0.564
82 HZ1 LYS 10 HZ1 LYS 10 -1.728 -6.808 0.344
83 HZ2 LYS 10 HZ2 LYS 10 -2.464 -8.220 -0.251
84 HZ3 LYS 10 HZ3 LYS 10 -2.393 -7.937 1.422
85 H PHE 11 H PHE 11 -4.378 -1.124 -1.354
86 HA PHE 11 HA PHE 11 -2.092 -1.424 -3.055
87 HB2 PHE 11 HB2 PHE 11 -4.343 -0.690 -3.772
88 HB3 PHE 11 HB3 PHE 11 -4.164 0.790 -2.829
89 HD1 PHE 11 HD1 PHE 11 -2.652 -1.146 -5.646
90 HD2 PHE 11 HD2 PHE 11 -3.066 2.680 -3.734
91 HE1 PHE 11 HE1 PHE 11 -1.496 -0.067 -7.554
92 HE2 PHE 11 HE2 PHE 11 -1.910 3.758 -5.643
93 HZ PHE 11 HZ PHE 11 -1.124 2.386 -7.554
94 H PHE 12 H PHE 12 -2.970 1.084 -0.666
95 HA PHE 12 HA PHE 12 -0.688 2.791 -1.117
96 HB2 PHE 12 HB2 PHE 12 -2.812 2.376 0.955
97 HB3 PHE 12 HB3 PHE 12 -1.415 3.351 1.405
98 HD1 PHE 12 HD1 PHE 12 -3.689 2.950 -1.568
99 HD2 PHE 12 HD2 PHE 12 -1.609 5.640 1.059
100 HE1 PHE 12 HE1 PHE 12 -4.638 4.882 -2.795
101 HE2 PHE 12 HE2 PHE 12 -2.559 7.572 -0.171
102 HZ PHE 12 HZ PHE 12 -4.074 7.193 -2.097
103 H LEU 13 H LEU 13 -1.341 0.174 1.237
104 HA LEU 13 HA LEU 13 1.187 0.343 2.613
105 HB2 LEU 13 HB2 LEU 13 -1.106 -0.814 3.174
106 HB3 LEU 13 HB3 LEU 13 -0.425 -2.182 2.291
107 HG LEU 13 HG LEU 13 1.283 -0.866 4.365
108 HD11 LEU 13 HD11 LEU 13 -0.929 -1.128 5.458
109 HD12 LEU 13 HD12 LEU 13 0.268 -2.229 6.138
110 HD13 LEU 13 HD13 LEU 13 -0.940 -2.832 5.003
111 HD21 LEU 13 HD21 LEU 13 0.925 -3.570 3.104
112 HD22 LEU 13 HD22 LEU 13 1.681 -3.460 4.694
113 HD23 LEU 13 HD23 LEU 13 2.399 -2.626 3.317
114 H LEU 14 H LEU 14 0.135 -1.327 -0.331
115 HA LEU 14 HA LEU 14 2.397 -3.107 -0.564
116 HB2 LEU 14 HB2 LEU 14 0.109 -3.181 -1.716
117 HB3 LEU 14 HB3 LEU 14 0.722 -1.926 -2.793
118 HG LEU 14 HG LEU 14 2.704 -3.491 -3.240
119 HD11 LEU 14 HD11 LEU 14 2.571 -5.080 -1.497
120 HD12 LEU 14 HD12 LEU 14 1.962 -5.952 -2.905
121 HD13 LEU 14 HD13 LEU 14 0.834 -5.303 -1.714
122 HD21 LEU 14 HD21 LEU 14 0.721 -3.091 -4.770
123 HD22 LEU 14 HD22 LEU 14 -0.015 -4.537 -4.080
124 HD23 LEU 14 HD23 LEU 14 1.501 -4.658 -4.973
125 H VAL 15 H VAL 15 1.679 0.096 -1.946
126 HA VAL 15 HA VAL 15 4.201 0.345 -3.362
127 HB VAL 15 HB VAL 15 2.090 2.331 -2.444
128 HG11 VAL 15 HG11 VAL 15 3.202 3.628 -4.467
129 HG12 VAL 15 HG12 VAL 15 4.613 2.662 -4.033
130 HG13 VAL 15 HG13 VAL 15 3.889 3.749 -2.847
131 HG21 VAL 15 HG21 VAL 15 2.475 1.662 -5.306
132 HG22 VAL 15 HG22 VAL 15 0.982 1.869 -4.391
133 HG23 VAL 15 HG23 VAL 15 1.863 0.344 -4.305
134 H PHE 16 H PHE 16 2.961 1.694 -0.276
135 HA PHE 16 HA PHE 16 5.468 2.993 0.412
136 HB2 PHE 16 HB2 PHE 16 3.089 3.551 1.160
137 HB3 PHE 16 HB3 PHE 16 3.202 2.165 2.245
138 HD1 PHE 16 HD1 PHE 16 5.055 5.285 1.292
139 HD2 PHE 16 HD2 PHE 16 4.139 2.436 4.375
140 HE1 PHE 16 HE1 PHE 16 6.291 6.667 2.937
141 HE2 PHE 16 HE2 PHE 16 5.377 3.819 6.020
142 HZ PHE 16 HZ PHE 16 6.453 5.934 5.301
143 H GLY 17 H GLY 17 4.217 -0.261 0.816
144 HA2 GLY 17 HA2 GLY 17 5.771 -1.076 3.072
145 HA3 GLY 17 HA3 GLY 17 5.148 -2.161 1.829
146 H GLU 18 H GLU 18 6.441 -1.413 -0.439
147 HA GLU 18 HA GLU 18 9.141 -2.396 -0.004
148 HB2 GLU 18 HB2 GLU 18 7.520 -1.371 -2.333
149 HB3 GLU 18 HB3 GLU 18 9.232 -1.749 -2.532
150 HG2 GLU 18 HG2 GLU 18 7.442 -3.763 -1.210
151 HG3 GLU 18 HG3 GLU 18 7.410 -3.611 -2.966
152 H ASN 19 H ASN 19 7.736 0.781 -0.757
153 HA ASN 19 HA ASN 19 10.294 2.128 -1.031
154 HB2 ASN 19 HB2 ASN 19 7.406 2.910 -0.729
155 HB3 ASN 19 HB3 ASN 19 8.661 4.147 -0.651
156 HD21 ASN 19 HD21 ASN 19 7.089 1.799 -2.788
157 HD22 ASN 19 HD22 ASN 19 7.798 2.366 -4.223
158 H GLY 20 H GLY 20 8.567 0.986 1.689
159 HA2 GLY 20 HA2 GLY 20 9.912 2.939 3.500
160 HA3 GLY 20 HA3 GLY 20 8.497 1.979 3.932
161 H VAL 21 H VAL 21 9.527 -0.536 2.811
162 HA VAL 21 HA VAL 21 11.504 -1.152 4.966
163 HB VAL 21 HB VAL 21 9.747 -2.979 3.298
164 HG11 VAL 21 HG11 VAL 21 10.254 -4.652 4.981
165 HG12 VAL 21 HG12 VAL 21 11.149 -3.473 5.941
166 HG13 VAL 21 HG13 VAL 21 11.777 -3.997 4.378
167 HG21 VAL 21 HG21 VAL 21 8.404 -3.085 5.466
168 HG22 VAL 21 HG22 VAL 21 8.283 -1.568 4.576
169 HG23 VAL 21 HG23 VAL 21 9.319 -1.674 5.999
170 H PHE 22 H PHE 22 10.827 -2.118 1.590
171 HA PHE 22 HA PHE 22 13.425 -3.264 1.116
172 HB2 PHE 22 HB2 PHE 22 11.109 -3.476 -0.103
173 HB3 PHE 22 HB3 PHE 22 11.668 -2.078 -1.019
174 HD1 PHE 22 HD1 PHE 22 12.302 -5.628 -0.229
175 HD2 PHE 22 HD2 PHE 22 13.533 -2.241 -2.566
176 HE1 PHE 22 HE1 PHE 22 13.694 -7.112 -1.645
177 HE2 PHE 22 HE2 PHE 22 14.925 -3.726 -3.983
178 HZ PHE 22 HZ PHE 22 15.006 -6.161 -3.523
179 H PHE 23 H PHE 23 12.127 -0.012 0.772
180 HA PHE 23 HA PHE 23 14.642 0.956 -0.498
181 HB2 PHE 23 HB2 PHE 23 12.016 1.457 -0.967
182 HB3 PHE 23 HB3 PHE 23 12.372 2.763 0.160
183 HD1 PHE 23 HD1 PHE 23 13.539 1.164 -3.008
184 HD2 PHE 23 HD2 PHE 23 13.559 4.681 -0.541
185 HE1 PHE 23 HE1 PHE 23 14.646 2.434 -4.827
186 HE2 PHE 23 HE2 PHE 23 14.667 5.951 -2.360
187 HZ PHE 23 HZ PHE 23 15.211 4.827 -4.503
188 H TYR 24 H TYR 24 14.649 0.081 2.319
189 HA TYR 24 HA TYR 24 15.787 2.515 3.528
190 HB2 TYR 24 HB2 TYR 24 13.098 2.023 3.836
191 HB3 TYR 24 HB3 TYR 24 13.768 1.236 5.265
192 HD1 TYR 24 HD1 TYR 24 13.592 4.448 3.401
193 HD2 TYR 24 HD2 TYR 24 14.689 2.504 7.072
194 HE1 TYR 24 HE1 TYR 24 13.882 6.658 4.485
195 HE2 TYR 24 HE2 TYR 24 14.979 4.714 8.154
196 HH TYR 24 HH TYR 24 13.769 7.311 7.381
197 H LYS 25 H LYS 25 16.810 -0.142 2.789
198 HA LYS 25 HA LYS 25 17.655 -1.096 5.505
199 HB2 LYS 25 HB2 LYS 25 15.887 -2.439 4.060
200 HB3 LYS 25 HB3 LYS 25 17.321 -2.965 3.175
201 HG2 LYS 25 HG2 LYS 25 18.339 -3.693 5.338
202 HG3 LYS 25 HG3 LYS 25 16.833 -3.267 6.154
203 HD2 LYS 25 HD2 LYS 25 16.337 -5.466 5.749
204 HD3 LYS 25 HD3 LYS 25 15.841 -4.826 4.181
205 HE2 LYS 25 HE2 LYS 25 18.247 -5.245 3.398
206 HE3 LYS 25 HE3 LYS 25 18.454 -6.192 4.886
207 HZ1 LYS 25 HZ1 LYS 25 16.359 -7.380 4.255
208 HZ2 LYS 25 HZ2 LYS 25 17.677 -7.683 3.227
209 HZ3 LYS 25 HZ3 LYS 25 16.445 -6.619 2.740
Start of MODEL 20
1 HA HIS 1 HA HIS 1 -22.352 0.892 -0.809
2 HB2 HIS 1 HB2 HIS 1 -24.109 1.342 -2.585
3 HB3 HIS 1 HB3 HIS 1 -22.814 1.944 -3.620
4 HD1 HIS 1 HD1 HIS 1 -21.653 0.224 -5.010
5 HD2 HIS 1 HD2 HIS 1 -23.569 -1.493 -1.728
6 HE1 HIS 1 HE1 HIS 1 -21.372 -2.282 -5.245
7 H ALA 2 H ALA 2 -20.208 1.625 -0.019
8 HA ALA 2 HA ALA 2 -18.164 1.510 -2.145
9 HB1 ALA 2 HB1 ALA 2 -17.146 3.668 -1.160
10 HB2 ALA 2 HB2 ALA 2 -18.722 3.927 -0.413
11 HB3 ALA 2 HB3 ALA 2 -18.579 3.858 -2.170
12 H TRP 3 H TRP 3 -17.299 -0.334 -1.127
13 HA TRP 3 HA TRP 3 -16.348 0.007 1.702
14 HB2 TRP 3 HB2 TRP 3 -16.966 -2.526 0.138
15 HB3 TRP 3 HB3 TRP 3 -16.587 -2.427 1.856
16 HD1 TRP 3 HD1 TRP 3 -19.439 -3.051 -0.069
17 HE1 TRP 3 HE1 TRP 3 -21.615 -2.151 0.979
18 HE3 TRP 3 HE3 TRP 3 -17.495 0.237 3.324
19 HZ2 TRP 3 HZ2 TRP 3 -22.424 -0.284 2.987
20 HZ3 TRP 3 HZ3 TRP 3 -18.991 1.560 4.789
21 HH2 TRP 3 HH2 TRP 3 -21.451 1.304 4.626
22 H TYR 4 H TYR 4 -14.606 1.156 0.057
23 HA TYR 4 HA TYR 4 -12.570 -0.915 -0.680
24 HB2 TYR 4 HB2 TYR 4 -11.753 0.739 -2.267
25 HB3 TYR 4 HB3 TYR 4 -13.497 0.596 -2.458
26 HD1 TYR 4 HD1 TYR 4 -10.776 2.697 -1.049
27 HD2 TYR 4 HD2 TYR 4 -14.970 2.434 -1.953
28 HE1 TYR 4 HE1 TYR 4 -11.022 5.125 -0.618
29 HE2 TYR 4 HE2 TYR 4 -15.212 4.864 -1.524
30 HH TYR 4 HH TYR 4 -13.786 6.613 -0.001
31 H SER 5 H SER 5 -13.208 0.888 1.945
32 HA SER 5 HA SER 5 -10.946 2.491 2.503
33 HB2 SER 5 HB2 SER 5 -13.018 2.350 3.849
34 HB3 SER 5 HB3 SER 5 -12.582 0.716 4.343
35 HG SER 5 HG SER 5 -11.986 2.412 5.847
36 H HIS 6 H HIS 6 -11.352 -1.012 2.741
37 HA HIS 6 HA HIS 6 -8.681 -1.388 3.933
38 HB2 HIS 6 HB2 HIS 6 -10.775 -2.734 4.460
39 HB3 HIS 6 HB3 HIS 6 -10.644 -3.426 2.843
40 HD1 HIS 6 HD1 HIS 6 -8.325 -2.939 5.847
41 HD2 HIS 6 HD2 HIS 6 -9.138 -5.731 2.859
42 HE1 HIS 6 HE1 HIS 6 -6.796 -4.913 6.276
43 H TYR 7 H TYR 7 -10.270 -1.711 0.796
44 HA TYR 7 HA TYR 7 -8.187 -3.129 -0.573
45 HB2 TYR 7 HB2 TYR 7 -10.550 -1.433 -1.259
46 HB3 TYR 7 HB3 TYR 7 -9.373 -1.733 -2.537
47 HD1 TYR 7 HD1 TYR 7 -8.706 -4.148 -3.038
48 HD2 TYR 7 HD2 TYR 7 -12.105 -3.107 -0.624
49 HE1 TYR 7 HE1 TYR 7 -9.642 -6.420 -3.376
50 HE2 TYR 7 HE2 TYR 7 -13.039 -5.380 -0.963
51 HH TYR 7 HH TYR 7 -12.476 -7.290 -3.162
52 H VAL 8 H VAL 8 -8.837 0.357 -0.197
53 HA VAL 8 HA VAL 8 -6.610 1.261 -1.777
54 HB VAL 8 HB VAL 8 -8.653 2.568 -1.045
55 HG11 VAL 8 HG11 VAL 8 -8.824 3.438 1.154
56 HG12 VAL 8 HG12 VAL 8 -7.165 2.984 1.552
57 HG13 VAL 8 HG13 VAL 8 -8.404 1.741 1.381
58 HG21 VAL 8 HG21 VAL 8 -7.429 4.684 -0.745
59 HG22 VAL 8 HG22 VAL 8 -6.637 3.682 -1.961
60 HG23 VAL 8 HG23 VAL 8 -5.966 3.790 -0.334
61 H LEU 9 H LEU 9 -6.918 0.183 1.553
62 HA LEU 9 HA LEU 9 -4.346 1.172 2.482
63 HB2 LEU 9 HB2 LEU 9 -6.626 0.170 3.612
64 HB3 LEU 9 HB3 LEU 9 -5.579 -1.244 3.700
65 HG LEU 9 HG LEU 9 -5.374 0.108 5.744
66 HD11 LEU 9 HD11 LEU 9 -3.367 -1.064 4.601
67 HD12 LEU 9 HD12 LEU 9 -3.018 0.123 5.857
68 HD13 LEU 9 HD13 LEU 9 -2.850 0.562 4.158
69 HD21 LEU 9 HD21 LEU 9 -4.233 2.317 4.021
70 HD22 LEU 9 HD22 LEU 9 -4.678 2.386 5.725
71 HD23 LEU 9 HD23 LEU 9 -5.932 2.281 4.491
72 H LYS 10 H LYS 10 -5.533 -1.866 1.041
73 HA LYS 10 HA LYS 10 -3.103 -3.390 1.391
74 HB2 LYS 10 HB2 LYS 10 -5.588 -4.024 0.772
75 HB3 LYS 10 HB3 LYS 10 -5.040 -3.761 -0.885
76 HG2 LYS 10 HG2 LYS 10 -4.401 -5.947 -0.756
77 HG3 LYS 10 HG3 LYS 10 -2.996 -5.284 0.080
78 HD2 LYS 10 HD2 LYS 10 -3.670 -6.840 1.650
79 HD3 LYS 10 HD3 LYS 10 -4.617 -5.453 2.189
80 HE2 LYS 10 HE2 LYS 10 -6.516 -6.284 0.727
81 HE3 LYS 10 HE3 LYS 10 -5.572 -7.764 0.466
82 HZ1 LYS 10 HZ1 LYS 10 -6.513 -6.656 3.056
83 HZ2 LYS 10 HZ2 LYS 10 -5.353 -7.893 2.943
84 HZ3 LYS 10 HZ3 LYS 10 -6.928 -8.146 2.361
85 H PHE 11 H PHE 11 -4.369 -1.405 -1.305
86 HA PHE 11 HA PHE 11 -2.162 -1.911 -3.104
87 HB2 PHE 11 HB2 PHE 11 -4.498 -1.069 -3.639
88 HB3 PHE 11 HB3 PHE 11 -4.020 0.487 -2.962
89 HD1 PHE 11 HD1 PHE 11 -3.218 -2.001 -5.616
90 HD2 PHE 11 HD2 PHE 11 -2.686 2.021 -4.204
91 HE1 PHE 11 HE1 PHE 11 -2.159 -1.383 -7.772
92 HE2 PHE 11 HE2 PHE 11 -1.628 2.639 -6.359
93 HZ PHE 11 HZ PHE 11 -1.364 0.937 -8.143
94 H PHE 12 H PHE 12 -2.901 0.750 -0.822
95 HA PHE 12 HA PHE 12 -0.590 2.355 -1.383
96 HB2 PHE 12 HB2 PHE 12 -2.647 3.063 -0.166
97 HB3 PHE 12 HB3 PHE 12 -2.192 2.014 1.177
98 HD1 PHE 12 HD1 PHE 12 -0.860 4.823 -0.920
99 HD2 PHE 12 HD2 PHE 12 -0.837 2.848 2.894
100 HE1 PHE 12 HE1 PHE 12 0.580 6.620 0.002
101 HE2 PHE 12 HE2 PHE 12 0.601 4.646 3.817
102 HZ PHE 12 HZ PHE 12 1.310 6.532 2.370
103 H LEU 13 H LEU 13 -1.164 -0.267 0.978
104 HA LEU 13 HA LEU 13 1.369 -0.117 2.323
105 HB2 LEU 13 HB2 LEU 13 -0.768 -1.322 2.999
106 HB3 LEU 13 HB3 LEU 13 -0.354 -2.563 1.816
107 HG LEU 13 HG LEU 13 1.850 -1.850 3.645
108 HD11 LEU 13 HD11 LEU 13 0.930 -3.012 5.575
109 HD12 LEU 13 HD12 LEU 13 -0.571 -3.338 4.709
110 HD13 LEU 13 HD13 LEU 13 -0.147 -1.684 5.148
111 HD21 LEU 13 HD21 LEU 13 2.222 -4.220 3.584
112 HD22 LEU 13 HD22 LEU 13 1.733 -3.760 1.954
113 HD23 LEU 13 HD23 LEU 13 0.574 -4.530 3.038
114 H LEU 14 H LEU 14 0.338 -1.687 -0.684
115 HA LEU 14 HA LEU 14 2.746 -3.283 -1.016
116 HB2 LEU 14 HB2 LEU 14 0.346 -3.547 -1.990
117 HB3 LEU 14 HB3 LEU 14 0.871 -2.374 -3.197
118 HG LEU 14 HG LEU 14 2.911 -3.918 -3.546
119 HD11 LEU 14 HD11 LEU 14 2.546 -6.271 -2.945
120 HD12 LEU 14 HD12 LEU 14 1.017 -5.852 -2.173
121 HD13 LEU 14 HD13 LEU 14 2.536 -5.266 -1.495
122 HD21 LEU 14 HD21 LEU 14 1.024 -3.673 -5.149
123 HD22 LEU 14 HD22 LEU 14 0.148 -4.939 -4.285
124 HD23 LEU 14 HD23 LEU 14 1.653 -5.320 -5.121
125 H VAL 15 H VAL 15 1.932 0.032 -1.650
126 HA VAL 15 HA VAL 15 4.290 0.358 -3.460
127 HB VAL 15 HB VAL 15 1.887 2.100 -2.796
128 HG11 VAL 15 HG11 VAL 15 2.829 3.367 -4.884
129 HG12 VAL 15 HG12 VAL 15 4.356 2.604 -4.443
130 HG13 VAL 15 HG13 VAL 15 3.546 3.679 -3.305
131 HG21 VAL 15 HG21 VAL 15 2.629 0.892 -5.465
132 HG22 VAL 15 HG22 VAL 15 1.063 1.510 -4.939
133 HG23 VAL 15 HG23 VAL 15 1.675 -0.009 -4.286
134 H PHE 16 H PHE 16 2.706 2.221 -0.824
135 HA PHE 16 HA PHE 16 5.082 3.678 -0.094
136 HB2 PHE 16 HB2 PHE 16 2.583 4.163 0.330
137 HB3 PHE 16 HB3 PHE 16 2.715 3.037 1.680
138 HD1 PHE 16 HD1 PHE 16 4.218 6.143 0.244
139 HD2 PHE 16 HD2 PHE 16 3.622 3.729 3.748
140 HE1 PHE 16 HE1 PHE 16 5.196 7.939 1.647
141 HE2 PHE 16 HE2 PHE 16 4.599 5.526 5.150
142 HZ PHE 16 HZ PHE 16 5.387 7.630 4.101
143 H GLY 17 H GLY 17 3.620 0.643 1.094
144 HA2 GLY 17 HA2 GLY 17 5.354 0.309 3.363
145 HA3 GLY 17 HA3 GLY 17 4.461 -0.987 2.565
146 H GLU 18 H GLU 18 5.545 -0.840 -0.013
147 HA GLU 18 HA GLU 18 7.963 -2.333 0.231
148 HB2 GLU 18 HB2 GLU 18 6.435 -0.946 -1.946
149 HB3 GLU 18 HB3 GLU 18 8.048 -1.558 -2.312
150 HG2 GLU 18 HG2 GLU 18 6.045 -3.324 -0.920
151 HG3 GLU 18 HG3 GLU 18 5.992 -3.133 -2.672
152 H ASN 19 H ASN 19 7.381 1.117 -0.326
153 HA ASN 19 HA ASN 19 10.066 1.906 -0.928
154 HB2 ASN 19 HB2 ASN 19 7.540 3.156 0.049
155 HB3 ASN 19 HB3 ASN 19 9.021 4.085 0.274
156 HD21 ASN 19 HD21 ASN 19 6.743 2.898 -2.117
157 HD22 ASN 19 HD22 ASN 19 7.470 3.644 -3.457
158 H GLY 20 H GLY 20 8.360 1.408 2.128
159 HA2 GLY 20 HA2 GLY 20 10.604 2.371 3.749
160 HA3 GLY 20 HA3 GLY 20 9.119 1.643 4.363
161 H VAL 21 H VAL 21 9.161 -0.792 2.905
162 HA VAL 21 HA VAL 21 10.936 -2.379 4.528
163 HB VAL 21 HB VAL 21 9.320 -2.946 2.024
164 HG11 VAL 21 HG11 VAL 21 9.513 -5.360 2.867
165 HG12 VAL 21 HG12 VAL 21 10.851 -4.793 3.869
166 HG13 VAL 21 HG13 VAL 21 10.955 -4.682 2.111
167 HG21 VAL 21 HG21 VAL 21 8.775 -3.701 4.909
168 HG22 VAL 21 HG22 VAL 21 7.666 -3.811 3.542
169 HG23 VAL 21 HG23 VAL 21 8.143 -2.232 4.166
170 H PHE 22 H PHE 22 11.266 -0.969 1.324
171 HA PHE 22 HA PHE 22 13.360 -2.522 0.232
172 HB2 PHE 22 HB2 PHE 22 11.938 -0.562 -0.709
173 HB3 PHE 22 HB3 PHE 22 13.179 0.480 -0.015
174 HD1 PHE 22 HD1 PHE 22 15.583 0.193 -0.733
175 HD2 PHE 22 HD2 PHE 22 12.326 -1.783 -2.719
176 HE1 PHE 22 HE1 PHE 22 17.038 -0.235 -2.695
177 HE2 PHE 22 HE2 PHE 22 13.782 -2.213 -4.680
178 HZ PHE 22 HZ PHE 22 16.138 -1.438 -4.669
179 H PHE 23 H PHE 23 13.499 0.075 2.636
180 HA PHE 23 HA PHE 23 16.457 -0.364 2.864
181 HB2 PHE 23 HB2 PHE 23 14.679 2.048 3.285
182 HB3 PHE 23 HB3 PHE 23 16.348 2.002 3.850
183 HD1 PHE 23 HD1 PHE 23 18.171 1.376 2.101
184 HD2 PHE 23 HD2 PHE 23 14.202 2.652 1.064
185 HE1 PHE 23 HE1 PHE 23 18.956 1.968 -0.175
186 HE2 PHE 23 HE2 PHE 23 14.988 3.244 -1.212
187 HZ PHE 23 HZ PHE 23 17.365 2.902 -1.831
188 H TYR 24 H TYR 24 14.094 1.163 5.043
189 HA TYR 24 HA TYR 24 13.683 0.834 7.344
190 HB2 TYR 24 HB2 TYR 24 13.027 -1.362 5.919
191 HB3 TYR 24 HB3 TYR 24 14.221 -2.077 7.000
192 HD1 TYR 24 HD1 TYR 24 10.972 -0.324 6.811
193 HD2 TYR 24 HD2 TYR 24 13.830 -2.229 9.393
194 HE1 TYR 24 HE1 TYR 24 9.301 -0.352 8.644
195 HE2 TYR 24 HE2 TYR 24 12.159 -2.256 11.224
196 HH TYR 24 HH TYR 24 9.236 -2.166 11.044
197 H LYS 25 H LYS 25 16.275 1.663 6.949
198 HA LYS 25 HA LYS 25 18.299 1.842 8.140
199 HB2 LYS 25 HB2 LYS 25 16.575 1.063 9.975
200 HB3 LYS 25 HB3 LYS 25 17.441 -0.470 9.866
201 HG2 LYS 25 HG2 LYS 25 19.583 0.768 10.251
202 HG3 LYS 25 HG3 LYS 25 18.642 2.239 10.504
203 HD2 LYS 25 HD2 LYS 25 17.865 1.558 12.551
204 HD3 LYS 25 HD3 LYS 25 17.803 -0.139 12.077
205 HE2 LYS 25 HE2 LYS 25 19.596 -0.094 13.619
206 HE3 LYS 25 HE3 LYS 25 20.430 0.041 12.058
207 HZ1 LYS 25 HZ1 LYS 25 20.337 2.456 12.261
208 HZ2 LYS 25 HZ2 LYS 25 21.169 1.777 13.578
209 HZ3 LYS 25 HZ3 LYS 25 19.571 2.321 13.770
Start of MODEL 21
1 HA HIS 1 HA HIS 1 -21.395 -3.764 -5.356
2 HB2 HIS 1 HB2 HIS 1 -22.982 -2.839 -7.164
3 HB3 HIS 1 HB3 HIS 1 -21.589 -1.938 -7.763
4 HD1 HIS 1 HD1 HIS 1 -19.663 -3.284 -8.854
5 HD2 HIS 1 HD2 HIS 1 -22.824 -5.666 -7.543
6 HE1 HIS 1 HE1 HIS 1 -19.284 -5.585 -9.841
7 H ALA 2 H ALA 2 -19.209 -4.205 -6.063
8 HA ALA 2 HA ALA 2 -16.899 -3.805 -6.311
9 HB1 ALA 2 HB1 ALA 2 -18.099 -1.985 -7.862
10 HB2 ALA 2 HB2 ALA 2 -16.354 -1.962 -7.601
11 HB3 ALA 2 HB3 ALA 2 -17.398 -0.879 -6.680
12 H TRP 3 H TRP 3 -15.647 -3.866 -4.503
13 HA TRP 3 HA TRP 3 -16.181 -1.911 -2.302
14 HB2 TRP 3 HB2 TRP 3 -16.336 -4.418 -1.962
15 HB3 TRP 3 HB3 TRP 3 -14.605 -4.504 -2.283
16 HD1 TRP 3 HD1 TRP 3 -13.457 -4.839 -0.041
17 HE1 TRP 3 HE1 TRP 3 -13.585 -3.729 2.283
18 HE3 TRP 3 HE3 TRP 3 -17.358 -1.628 -0.805
19 HZ2 TRP 3 HZ2 TRP 3 -15.134 -1.743 3.637
20 HZ3 TRP 3 HZ3 TRP 3 -18.136 -0.142 1.016
21 HH2 TRP 3 HH2 TRP 3 -17.030 -0.194 3.234
22 H TYR 4 H TYR 4 -14.807 -0.170 -2.422
23 HA TYR 4 HA TYR 4 -11.913 -0.708 -3.005
24 HB2 TYR 4 HB2 TYR 4 -13.717 0.596 -4.640
25 HB3 TYR 4 HB3 TYR 4 -12.972 1.934 -3.764
26 HD1 TYR 4 HD1 TYR 4 -11.997 -1.265 -5.477
27 HD2 TYR 4 HD2 TYR 4 -10.973 2.812 -4.582
28 HE1 TYR 4 HE1 TYR 4 -9.969 -1.463 -6.891
29 HE2 TYR 4 HE2 TYR 4 -8.946 2.612 -5.996
30 HH TYR 4 HH TYR 4 -7.525 -0.007 -6.812
31 H SER 5 H SER 5 -13.513 -0.298 -0.421
32 HA SER 5 HA SER 5 -12.428 2.286 0.560
33 HB2 SER 5 HB2 SER 5 -14.259 0.162 1.705
34 HB3 SER 5 HB3 SER 5 -13.775 1.600 2.598
35 HG SER 5 HG SER 5 -15.493 2.374 1.614
36 H HIS 6 H HIS 6 -11.992 -1.191 0.940
37 HA HIS 6 HA HIS 6 -9.871 -0.768 2.991
38 HB2 HIS 6 HB2 HIS 6 -11.669 -2.430 3.389
39 HB3 HIS 6 HB3 HIS 6 -11.215 -3.266 1.904
40 HD1 HIS 6 HD1 HIS 6 -9.675 -2.287 5.254
41 HD2 HIS 6 HD2 HIS 6 -9.198 -5.138 2.249
42 HE1 HIS 6 HE1 HIS 6 -7.920 -3.913 6.081
43 H TYR 7 H TYR 7 -10.368 -1.759 -0.340
44 HA TYR 7 HA TYR 7 -7.879 -3.047 -0.863
45 HB2 TYR 7 HB2 TYR 7 -9.912 -1.502 -2.462
46 HB3 TYR 7 HB3 TYR 7 -8.432 -2.061 -3.238
47 HD1 TYR 7 HD1 TYR 7 -11.454 -3.168 -1.373
48 HD2 TYR 7 HD2 TYR 7 -8.102 -4.366 -3.779
49 HE1 TYR 7 HE1 TYR 7 -12.426 -5.436 -1.598
50 HE2 TYR 7 HE2 TYR 7 -9.079 -6.635 -4.004
51 HH TYR 7 HH TYR 7 -10.997 -7.992 -2.243
52 H VAL 8 H VAL 8 -8.783 0.373 -0.788
53 HA VAL 8 HA VAL 8 -6.371 1.456 -1.891
54 HB VAL 8 HB VAL 8 -8.577 2.622 -1.528
55 HG11 VAL 8 HG11 VAL 8 -9.175 3.443 0.653
56 HG12 VAL 8 HG12 VAL 8 -7.657 2.874 1.348
57 HG13 VAL 8 HG13 VAL 8 -8.874 1.714 0.819
58 HG21 VAL 8 HG21 VAL 8 -7.595 4.780 -0.960
59 HG22 VAL 8 HG22 VAL 8 -6.445 3.865 -1.934
60 HG23 VAL 8 HG23 VAL 8 -6.221 3.986 -0.190
61 H LEU 9 H LEU 9 -7.246 0.385 1.358
62 HA LEU 9 HA LEU 9 -4.892 1.429 2.704
63 HB2 LEU 9 HB2 LEU 9 -6.984 0.906 3.866
64 HB3 LEU 9 HB3 LEU 9 -6.885 -0.774 3.346
65 HG LEU 9 HG LEU 9 -4.432 0.011 4.674
66 HD11 LEU 9 HD11 LEU 9 -5.971 1.614 5.823
67 HD12 LEU 9 HD12 LEU 9 -5.319 0.390 6.913
68 HD13 LEU 9 HD13 LEU 9 -6.972 0.248 6.316
69 HD21 LEU 9 HD21 LEU 9 -4.985 -1.974 6.041
70 HD22 LEU 9 HD22 LEU 9 -5.227 -2.306 4.326
71 HD23 LEU 9 HD23 LEU 9 -6.615 -1.985 5.367
72 H LYS 10 H LYS 10 -5.799 -1.747 1.321
73 HA LYS 10 HA LYS 10 -3.355 -3.110 2.048
74 HB2 LYS 10 HB2 LYS 10 -5.685 -3.510 0.203
75 HB3 LYS 10 HB3 LYS 10 -4.266 -4.531 -0.024
76 HG2 LYS 10 HG2 LYS 10 -4.680 -4.520 2.746
77 HG3 LYS 10 HG3 LYS 10 -6.298 -4.648 2.057
78 HD2 LYS 10 HD2 LYS 10 -5.835 -6.863 1.879
79 HD3 LYS 10 HD3 LYS 10 -4.879 -6.391 0.474
80 HE2 LYS 10 HE2 LYS 10 -3.003 -5.941 2.309
81 HE3 LYS 10 HE3 LYS 10 -3.953 -7.124 3.231
82 HZ1 LYS 10 HZ1 LYS 10 -2.456 -8.374 1.917
83 HZ2 LYS 10 HZ2 LYS 10 -2.776 -7.451 0.526
84 HZ3 LYS 10 HZ3 LYS 10 -3.960 -8.505 1.142
85 H PHE 11 H PHE 11 -4.390 -1.295 -0.840
86 HA PHE 11 HA PHE 11 -2.143 -1.900 -2.516
87 HB2 PHE 11 HB2 PHE 11 -4.447 -0.772 -2.978
88 HB3 PHE 11 HB3 PHE 11 -3.650 0.720 -2.477
89 HD1 PHE 11 HD1 PHE 11 -3.570 -2.062 -4.937
90 HD2 PHE 11 HD2 PHE 11 -2.046 1.815 -3.884
91 HE1 PHE 11 HE1 PHE 11 -2.550 -1.852 -7.188
92 HE2 PHE 11 HE2 PHE 11 -1.028 2.025 -6.136
93 HZ PHE 11 HZ PHE 11 -1.278 0.192 -7.787
94 H PHE 12 H PHE 12 -2.706 0.708 -0.130
95 HA PHE 12 HA PHE 12 -0.256 2.141 -0.622
96 HB2 PHE 12 HB2 PHE 12 -2.540 2.223 1.119
97 HB3 PHE 12 HB3 PHE 12 -1.087 2.368 2.108
98 HD1 PHE 12 HD1 PHE 12 0.684 4.088 1.412
99 HD2 PHE 12 HD2 PHE 12 -3.308 4.045 -0.177
100 HE1 PHE 12 HE1 PHE 12 0.953 6.440 0.675
101 HE2 PHE 12 HE2 PHE 12 -3.037 6.398 -0.915
102 HZ PHE 12 HZ PHE 12 -0.908 7.596 -0.488
103 H LEU 13 H LEU 13 -1.124 -0.422 1.725
104 HA LEU 13 HA LEU 13 1.365 -0.557 3.114
105 HB2 LEU 13 HB2 LEU 13 -0.977 -1.664 3.496
106 HB3 LEU 13 HB3 LEU 13 -0.358 -2.949 2.457
107 HG LEU 13 HG LEU 13 1.474 -2.072 4.617
108 HD11 LEU 13 HD11 LEU 13 -0.862 -2.058 5.644
109 HD12 LEU 13 HD12 LEU 13 0.297 -3.154 6.396
110 HD13 LEU 13 HD13 LEU 13 -0.927 -3.785 5.295
111 HD21 LEU 13 HD21 LEU 13 0.498 -4.762 3.600
112 HD22 LEU 13 HD22 LEU 13 1.799 -4.531 4.767
113 HD23 LEU 13 HD23 LEU 13 1.986 -3.952 3.111
114 H LEU 14 H LEU 14 0.336 -1.894 0.007
115 HA LEU 14 HA LEU 14 2.697 -3.594 -0.332
116 HB2 LEU 14 HB2 LEU 14 0.221 -3.725 -1.262
117 HB3 LEU 14 HB3 LEU 14 0.867 -2.694 -2.537
118 HG LEU 14 HG LEU 14 2.602 -4.979 -1.888
119 HD11 LEU 14 HD11 LEU 14 0.301 -5.953 -1.554
120 HD12 LEU 14 HD12 LEU 14 1.199 -6.681 -2.887
121 HD13 LEU 14 HD13 LEU 14 -0.071 -5.504 -3.219
122 HD21 LEU 14 HD21 LEU 14 2.776 -3.363 -3.841
123 HD22 LEU 14 HD22 LEU 14 1.324 -4.119 -4.500
124 HD23 LEU 14 HD23 LEU 14 2.795 -5.069 -4.289
125 H VAL 15 H VAL 15 1.498 -0.594 -1.854
126 HA VAL 15 HA VAL 15 3.911 -0.151 -3.418
127 HB VAL 15 HB VAL 15 1.543 1.585 -2.639
128 HG11 VAL 15 HG11 VAL 15 3.913 2.091 -4.424
129 HG12 VAL 15 HG12 VAL 15 3.140 3.178 -3.269
130 HG13 VAL 15 HG13 VAL 15 2.353 2.819 -4.806
131 HG21 VAL 15 HG21 VAL 15 1.528 -0.618 -4.205
132 HG22 VAL 15 HG22 VAL 15 2.003 0.585 -5.404
133 HG23 VAL 15 HG23 VAL 15 0.494 0.776 -4.515
134 H PHE 16 H PHE 16 2.541 1.579 -0.571
135 HA PHE 16 HA PHE 16 4.865 3.231 -0.155
136 HB2 PHE 16 HB2 PHE 16 2.358 3.325 0.697
137 HB3 PHE 16 HB3 PHE 16 3.007 2.410 2.058
138 HD1 PHE 16 HD1 PHE 16 3.259 5.586 0.162
139 HD2 PHE 16 HD2 PHE 16 4.491 3.421 3.661
140 HE1 PHE 16 HE1 PHE 16 4.192 7.672 1.123
141 HE2 PHE 16 HE2 PHE 16 5.425 5.507 4.623
142 HZ PHE 16 HZ PHE 16 5.276 7.632 3.354
143 H GLY 17 H GLY 17 3.970 -0.014 0.957
144 HA2 GLY 17 HA2 GLY 17 5.877 -0.295 3.060
145 HA3 GLY 17 HA3 GLY 17 5.217 -1.632 2.116
146 H GLU 18 H GLU 18 6.136 -0.974 -0.445
147 HA GLU 18 HA GLU 18 8.875 -1.877 -0.329
148 HB2 GLU 18 HB2 GLU 18 6.869 -1.062 -2.378
149 HB3 GLU 18 HB3 GLU 18 8.561 -1.058 -2.877
150 HG2 GLU 18 HG2 GLU 18 8.765 -3.397 -1.989
151 HG3 GLU 18 HG3 GLU 18 7.029 -3.388 -1.689
152 H ASN 19 H ASN 19 7.397 1.288 -0.387
153 HA ASN 19 HA ASN 19 9.730 2.749 -1.321
154 HB2 ASN 19 HB2 ASN 19 7.043 3.292 -0.170
155 HB3 ASN 19 HB3 ASN 19 8.247 4.560 0.057
156 HD21 ASN 19 HD21 ASN 19 6.335 2.836 -2.362
157 HD22 ASN 19 HD22 ASN 19 6.749 3.841 -3.666
158 H GLY 20 H GLY 20 8.863 1.295 1.690
159 HA2 GLY 20 HA2 GLY 20 10.956 2.889 3.109
160 HA3 GLY 20 HA3 GLY 20 9.581 2.142 3.916
161 H VAL 21 H VAL 21 9.746 -0.410 2.475
162 HA VAL 21 HA VAL 21 11.993 -1.570 4.019
163 HB VAL 21 HB VAL 21 9.618 -2.694 2.509
164 HG11 VAL 21 HG11 VAL 21 11.772 -4.146 4.075
165 HG12 VAL 21 HG12 VAL 21 11.427 -4.319 2.353
166 HG13 VAL 21 HG13 VAL 21 10.257 -4.879 3.548
167 HG21 VAL 21 HG21 VAL 21 10.279 -2.750 5.467
168 HG22 VAL 21 HG22 VAL 21 8.751 -3.190 4.706
169 HG23 VAL 21 HG23 VAL 21 9.274 -1.507 4.723
170 H PHE 22 H PHE 22 10.866 -1.401 0.650
171 HA PHE 22 HA PHE 22 13.339 -2.766 -0.271
172 HB2 PHE 22 HB2 PHE 22 10.695 -1.974 -1.492
173 HB3 PHE 22 HB3 PHE 22 12.034 -2.525 -2.499
174 HD1 PHE 22 HD1 PHE 22 9.686 -3.485 0.198
175 HD2 PHE 22 HD2 PHE 22 12.775 -4.827 -2.470
176 HE1 PHE 22 HE1 PHE 22 9.146 -5.839 0.757
177 HE2 PHE 22 HE2 PHE 22 12.234 -7.181 -1.910
178 HZ PHE 22 HZ PHE 22 10.419 -7.688 -0.297
179 H PHE 23 H PHE 23 12.225 0.424 0.218
180 HA PHE 23 HA PHE 23 14.326 1.473 -1.650
181 HB2 PHE 23 HB2 PHE 23 11.713 1.720 -2.094
182 HB3 PHE 23 HB3 PHE 23 11.872 3.043 -0.942
183 HD1 PHE 23 HD1 PHE 23 13.341 1.676 -4.100
184 HD2 PHE 23 HD2 PHE 23 12.719 5.134 -1.627
185 HE1 PHE 23 HE1 PHE 23 14.274 3.122 -5.886
186 HE2 PHE 23 HE2 PHE 23 13.652 6.578 -3.412
187 HZ PHE 23 HZ PHE 23 14.430 5.573 -5.542
188 H TYR 24 H TYR 24 14.146 0.892 1.423
189 HA TYR 24 HA TYR 24 15.502 3.383 2.238
190 HB2 TYR 24 HB2 TYR 24 12.742 3.096 2.550
191 HB3 TYR 24 HB3 TYR 24 13.389 2.702 4.143
192 HD1 TYR 24 HD1 TYR 24 14.830 4.344 5.351
193 HD2 TYR 24 HD2 TYR 24 12.868 5.322 1.656
194 HE1 TYR 24 HE1 TYR 24 15.216 6.755 5.784
195 HE2 TYR 24 HE2 TYR 24 13.253 7.734 2.091
196 HH TYR 24 HH TYR 24 15.320 8.979 3.822
197 H LYS 25 H LYS 25 16.233 0.512 2.037
198 HA LYS 25 HA LYS 25 17.055 0.091 4.883
199 HB2 LYS 25 HB2 LYS 25 15.546 -1.724 3.014
200 HB3 LYS 25 HB3 LYS 25 16.588 -2.424 4.253
201 HG2 LYS 25 HG2 LYS 25 15.379 -1.057 5.970
202 HG3 LYS 25 HG3 LYS 25 14.274 -0.516 4.706
203 HD2 LYS 25 HD2 LYS 25 13.150 -2.347 5.686
204 HD3 LYS 25 HD3 LYS 25 13.890 -3.033 4.239
205 HE2 LYS 25 HE2 LYS 25 15.724 -3.961 5.541
206 HE3 LYS 25 HE3 LYS 25 15.147 -3.143 7.006
207 HZ1 LYS 25 HZ1 LYS 25 13.552 -5.088 5.419
208 HZ2 LYS 25 HZ2 LYS 25 13.089 -4.356 6.880
209 HZ3 LYS 25 HZ3 LYS 25 14.373 -5.469 6.853
Start of MODEL 22
1 HA HIS 1 HA HIS 1 -19.106 -2.141 5.457
2 HB2 HIS 1 HB2 HIS 1 -19.456 -4.964 4.959
3 HB3 HIS 1 HB3 HIS 1 -18.048 -4.386 4.071
4 HD1 HIS 1 HD1 HIS 1 -19.213 -5.226 7.460
5 HD2 HIS 1 HD2 HIS 1 -16.070 -3.052 5.794
6 HE1 HIS 1 HE1 HIS 1 -17.520 -4.878 9.311
7 H ALA 2 H ALA 2 -17.553 -1.184 4.046
8 HA ALA 2 HA ALA 2 -18.512 -0.650 1.306
9 HB1 ALA 2 HB1 ALA 2 -15.978 0.281 2.684
10 HB2 ALA 2 HB2 ALA 2 -17.549 1.028 2.977
11 HB3 ALA 2 HB3 ALA 2 -16.837 1.075 1.364
12 H TRP 3 H TRP 3 -17.698 -1.650 -0.510
13 HA TRP 3 HA TRP 3 -15.606 -3.721 -0.186
14 HB2 TRP 3 HB2 TRP 3 -17.933 -3.649 -1.517
15 HB3 TRP 3 HB3 TRP 3 -16.885 -3.046 -2.800
16 HD1 TRP 3 HD1 TRP 3 -17.205 -6.054 -0.410
17 HE1 TRP 3 HE1 TRP 3 -16.103 -8.098 -1.529
18 HE3 TRP 3 HE3 TRP 3 -15.316 -3.849 -4.612
19 HZ2 TRP 3 HZ2 TRP 3 -14.617 -8.716 -3.893
20 HZ3 TRP 3 HZ3 TRP 3 -14.064 -5.188 -6.278
21 HH2 TRP 3 HH2 TRP 3 -13.712 -7.617 -5.925
22 H TYR 4 H TYR 4 -15.310 -0.493 -0.565
23 HA TYR 4 HA TYR 4 -13.004 -0.752 -2.466
24 HB2 TYR 4 HB2 TYR 4 -13.605 1.512 -3.259
25 HB3 TYR 4 HB3 TYR 4 -14.959 0.402 -3.455
26 HD1 TYR 4 HD1 TYR 4 -13.628 3.240 -1.499
27 HD2 TYR 4 HD2 TYR 4 -16.972 0.610 -2.099
28 HE1 TYR 4 HE1 TYR 4 -15.049 4.731 -0.120
29 HE2 TYR 4 HE2 TYR 4 -18.391 2.101 -0.718
30 HH TYR 4 HH TYR 4 -17.168 4.478 1.282
31 H SER 5 H SER 5 -13.402 -0.628 0.661
32 HA SER 5 HA SER 5 -11.653 1.733 1.201
33 HB2 SER 5 HB2 SER 5 -13.940 1.239 2.332
34 HB3 SER 5 HB3 SER 5 -13.062 -0.001 3.225
35 HG SER 5 HG SER 5 -12.797 2.793 3.267
36 H HIS 6 H HIS 6 -11.683 -1.750 1.181
37 HA HIS 6 HA HIS 6 -9.303 -1.980 2.910
38 HB2 HIS 6 HB2 HIS 6 -11.474 -3.567 2.358
39 HB3 HIS 6 HB3 HIS 6 -10.240 -4.296 1.330
40 HD1 HIS 6 HD1 HIS 6 -10.911 -3.421 4.955
41 HD2 HIS 6 HD2 HIS 6 -8.272 -5.741 2.710
42 HE1 HIS 6 HE1 HIS 6 -9.577 -4.794 6.612
43 H TYR 7 H TYR 7 -10.132 -2.190 -0.524
44 HA TYR 7 HA TYR 7 -7.572 -3.179 -1.422
45 HB2 TYR 7 HB2 TYR 7 -9.772 -1.581 -2.774
46 HB3 TYR 7 HB3 TYR 7 -8.426 -2.326 -3.636
47 HD1 TYR 7 HD1 TYR 7 -8.023 -4.917 -2.754
48 HD2 TYR 7 HD2 TYR 7 -11.755 -2.790 -2.849
49 HE1 TYR 7 HE1 TYR 7 -9.252 -7.070 -2.808
50 HE2 TYR 7 HE2 TYR 7 -12.981 -4.943 -2.903
51 HH TYR 7 HH TYR 7 -12.308 -7.461 -2.037
52 H VAL 8 H VAL 8 -8.929 0.085 -1.058
53 HA VAL 8 HA VAL 8 -6.655 1.493 -2.123
54 HB VAL 8 HB VAL 8 -9.006 2.359 -1.813
55 HG11 VAL 8 HG11 VAL 8 -8.197 2.740 1.079
56 HG12 VAL 8 HG12 VAL 8 -9.205 1.398 0.537
57 HG13 VAL 8 HG13 VAL 8 -9.769 3.058 0.348
58 HG21 VAL 8 HG21 VAL 8 -7.286 3.974 -2.261
59 HG22 VAL 8 HG22 VAL 8 -6.689 3.890 -0.603
60 HG23 VAL 8 HG23 VAL 8 -8.256 4.626 -0.941
61 H LEU 9 H LEU 9 -7.441 0.205 1.063
62 HA LEU 9 HA LEU 9 -5.210 1.550 2.419
63 HB2 LEU 9 HB2 LEU 9 -7.593 0.445 3.178
64 HB3 LEU 9 HB3 LEU 9 -6.486 -0.867 3.581
65 HG LEU 9 HG LEU 9 -5.064 1.128 4.626
66 HD11 LEU 9 HD11 LEU 9 -7.925 2.127 4.606
67 HD12 LEU 9 HD12 LEU 9 -6.499 2.947 3.968
68 HD13 LEU 9 HD13 LEU 9 -6.693 2.740 5.709
69 HD21 LEU 9 HD21 LEU 9 -5.930 -0.824 5.859
70 HD22 LEU 9 HD22 LEU 9 -7.525 -0.075 5.936
71 HD23 LEU 9 HD23 LEU 9 -6.167 0.653 6.793
72 H LYS 10 H LYS 10 -5.916 -1.697 1.107
73 HA LYS 10 HA LYS 10 -3.471 -2.949 2.000
74 HB2 LYS 10 HB2 LYS 10 -5.573 -4.098 1.292
75 HB3 LYS 10 HB3 LYS 10 -5.286 -3.560 -0.362
76 HG2 LYS 10 HG2 LYS 10 -4.252 -5.596 -0.536
77 HG3 LYS 10 HG3 LYS 10 -2.892 -4.714 0.157
78 HD2 LYS 10 HD2 LYS 10 -3.331 -5.534 2.342
79 HD3 LYS 10 HD3 LYS 10 -4.950 -6.079 1.898
80 HE2 LYS 10 HE2 LYS 10 -3.872 -8.119 1.743
81 HE3 LYS 10 HE3 LYS 10 -3.478 -7.520 0.121
82 HZ1 LYS 10 HZ1 LYS 10 -1.825 -7.177 2.572
83 HZ2 LYS 10 HZ2 LYS 10 -1.469 -6.491 1.059
84 HZ3 LYS 10 HZ3 LYS 10 -1.460 -8.180 1.254
85 H PHE 11 H PHE 11 -4.431 -1.411 -1.093
86 HA PHE 11 HA PHE 11 -1.930 -1.862 -2.452
87 HB2 PHE 11 HB2 PHE 11 -4.062 -1.344 -3.567
88 HB3 PHE 11 HB3 PHE 11 -4.103 0.237 -2.787
89 HD1 PHE 11 HD1 PHE 11 -2.006 -1.878 -5.057
90 HD2 PHE 11 HD2 PHE 11 -3.068 2.089 -3.798
91 HE1 PHE 11 HE1 PHE 11 -0.640 -0.929 -6.895
92 HE2 PHE 11 HE2 PHE 11 -1.700 3.038 -5.635
93 HZ PHE 11 HZ PHE 11 -0.486 1.529 -7.184
94 H PHE 12 H PHE 12 -3.207 0.970 -0.654
95 HA PHE 12 HA PHE 12 -0.956 2.692 -1.029
96 HB2 PHE 12 HB2 PHE 12 -3.263 3.256 -0.176
97 HB3 PHE 12 HB3 PHE 12 -2.830 2.493 1.352
98 HD1 PHE 12 HD1 PHE 12 -1.872 5.220 -1.006
99 HD2 PHE 12 HD2 PHE 12 -1.547 3.649 2.979
100 HE1 PHE 12 HE1 PHE 12 -0.782 7.321 -0.267
101 HE2 PHE 12 HE2 PHE 12 -0.455 5.750 3.718
102 HZ PHE 12 HZ PHE 12 -0.073 7.586 2.095
103 H LEU 13 H LEU 13 -1.707 0.394 1.623
104 HA LEU 13 HA LEU 13 0.687 0.910 3.145
105 HB2 LEU 13 HB2 LEU 13 -1.538 -0.216 3.803
106 HB3 LEU 13 HB3 LEU 13 -0.884 -1.673 3.054
107 HG LEU 13 HG LEU 13 1.217 -1.162 4.555
108 HD11 LEU 13 HD11 LEU 13 0.613 0.965 5.448
109 HD12 LEU 13 HD12 LEU 13 0.374 -0.179 6.769
110 HD13 LEU 13 HD13 LEU 13 -1.013 0.416 5.855
111 HD21 LEU 13 HD21 LEU 13 -0.254 -3.142 4.767
112 HD22 LEU 13 HD22 LEU 13 -1.390 -2.193 5.725
113 HD23 LEU 13 HD23 LEU 13 0.223 -2.533 6.351
114 H LEU 14 H LEU 14 -0.100 -1.475 0.598
115 HA LEU 14 HA LEU 14 2.306 -3.021 0.793
116 HB2 LEU 14 HB2 LEU 14 0.030 -3.358 -0.481
117 HB3 LEU 14 HB3 LEU 14 0.855 -2.515 -1.792
118 HG LEU 14 HG LEU 14 2.746 -4.185 -1.543
119 HD11 LEU 14 HD11 LEU 14 2.366 -5.019 0.676
120 HD12 LEU 14 HD12 LEU 14 2.027 -6.357 -0.421
121 HD13 LEU 14 HD13 LEU 14 0.698 -5.449 0.298
122 HD21 LEU 14 HD21 LEU 14 1.683 -5.783 -2.934
123 HD22 LEU 14 HD22 LEU 14 0.761 -4.303 -3.201
124 HD23 LEU 14 HD23 LEU 14 0.123 -5.562 -2.142
125 H VAL 15 H VAL 15 1.513 -0.110 -1.088
126 HA VAL 15 HA VAL 15 3.977 0.010 -2.586
127 HB VAL 15 HB VAL 15 1.874 2.031 -1.749
128 HG11 VAL 15 HG11 VAL 15 2.948 3.413 -3.655
129 HG12 VAL 15 HG12 VAL 15 4.369 2.397 -3.412
130 HG13 VAL 15 HG13 VAL 15 3.771 3.407 -2.095
131 HG21 VAL 15 HG21 VAL 15 1.144 1.826 -4.058
132 HG22 VAL 15 HG22 VAL 15 1.280 0.206 -3.376
133 HG23 VAL 15 HG23 VAL 15 2.537 0.818 -4.450
134 H PHE 16 H PHE 16 2.937 1.459 0.510
135 HA PHE 16 HA PHE 16 5.263 3.027 1.035
136 HB2 PHE 16 HB2 PHE 16 2.881 2.028 2.402
137 HB3 PHE 16 HB3 PHE 16 4.267 2.123 3.490
138 HD1 PHE 16 HD1 PHE 16 2.295 4.089 1.000
139 HD2 PHE 16 HD2 PHE 16 5.040 4.205 4.303
140 HE1 PHE 16 HE1 PHE 16 2.035 6.552 1.131
141 HE2 PHE 16 HE2 PHE 16 4.778 6.667 4.433
142 HZ PHE 16 HZ PHE 16 3.275 7.841 2.848
143 H GLY 17 H GLY 17 4.535 -0.393 1.803
144 HA2 GLY 17 HA2 GLY 17 6.883 -0.889 3.368
145 HA3 GLY 17 HA3 GLY 17 5.947 -2.127 2.527
146 H GLU 18 H GLU 18 6.232 -1.427 -0.116
147 HA GLU 18 HA GLU 18 8.901 -2.334 -0.729
148 HB2 GLU 18 HB2 GLU 18 6.451 -1.423 -2.173
149 HB3 GLU 18 HB3 GLU 18 7.961 -1.422 -3.085
150 HG2 GLU 18 HG2 GLU 18 8.254 -3.736 -2.861
151 HG3 GLU 18 HG3 GLU 18 7.202 -3.829 -1.449
152 H ASN 19 H ASN 19 7.308 0.847 -0.991
153 HA ASN 19 HA ASN 19 9.480 2.317 -2.106
154 HB2 ASN 19 HB2 ASN 19 7.074 2.903 -0.405
155 HB3 ASN 19 HB3 ASN 19 8.258 4.185 -0.652
156 HD21 ASN 19 HD21 ASN 19 6.207 5.129 -1.829
157 HD22 ASN 19 HD22 ASN 19 6.054 4.756 -3.477
158 H GLY 20 H GLY 20 8.725 1.423 1.232
159 HA2 GLY 20 HA2 GLY 20 10.874 2.968 2.422
160 HA3 GLY 20 HA3 GLY 20 9.933 1.711 3.229
161 H VAL 21 H VAL 21 10.433 -0.525 1.681
162 HA VAL 21 HA VAL 21 13.064 -1.316 2.550
163 HB VAL 21 HB VAL 21 10.988 -2.465 0.672
164 HG11 VAL 21 HG11 VAL 21 13.682 -3.571 1.483
165 HG12 VAL 21 HG12 VAL 21 12.991 -3.452 -0.136
166 HG13 VAL 21 HG13 VAL 21 12.351 -4.628 1.011
167 HG21 VAL 21 HG21 VAL 21 10.242 -3.645 2.507
168 HG22 VAL 21 HG22 VAL 21 10.912 -2.249 3.350
169 HG23 VAL 21 HG23 VAL 21 11.848 -3.740 3.229
170 H PHE 22 H PHE 22 11.853 0.005 -0.478
171 HA PHE 22 HA PHE 22 13.999 -0.674 -2.223
172 HB2 PHE 22 HB2 PHE 22 11.718 0.349 -2.724
173 HB3 PHE 22 HB3 PHE 22 12.393 1.894 -2.210
174 HD1 PHE 22 HD1 PHE 22 14.266 2.932 -3.473
175 HD2 PHE 22 HD2 PHE 22 12.337 -0.661 -4.826
176 HE1 PHE 22 HE1 PHE 22 15.265 3.241 -5.721
177 HE2 PHE 22 HE2 PHE 22 13.338 -0.349 -7.075
178 HZ PHE 22 HZ PHE 22 14.802 1.602 -7.522
179 H PHE 23 H PHE 23 13.699 1.904 0.179
180 HA PHE 23 HA PHE 23 16.430 2.885 -0.564
181 HB2 PHE 23 HB2 PHE 23 14.064 4.141 0.852
182 HB3 PHE 23 HB3 PHE 23 15.645 4.916 0.762
183 HD1 PHE 23 HD1 PHE 23 16.690 5.165 -1.623
184 HD2 PHE 23 HD2 PHE 23 12.521 4.436 -0.891
185 HE1 PHE 23 HE1 PHE 23 16.143 6.011 -3.889
186 HE2 PHE 23 HE2 PHE 23 11.975 5.282 -3.155
187 HZ PHE 23 HZ PHE 23 13.785 6.070 -4.655
188 H TYR 24 H TYR 24 14.590 3.060 2.476
189 HA TYR 24 HA TYR 24 15.216 2.552 4.694
190 HB2 TYR 24 HB2 TYR 24 15.400 0.331 3.025
191 HB3 TYR 24 HB3 TYR 24 16.920 0.301 3.915
192 HD1 TYR 24 HD1 TYR 24 16.905 0.277 6.420
193 HD2 TYR 24 HD2 TYR 24 13.306 -0.112 4.106
194 HE1 TYR 24 HE1 TYR 24 15.715 -0.591 8.415
195 HE2 TYR 24 HE2 TYR 24 12.118 -0.981 6.100
196 HH TYR 24 HH TYR 24 13.076 -2.275 8.392
197 H LYS 25 H LYS 25 16.940 4.464 3.340
198 HA LYS 25 HA LYS 25 19.034 5.513 3.584
199 HB2 LYS 25 HB2 LYS 25 18.493 3.974 6.102
200 HB3 LYS 25 HB3 LYS 25 20.069 4.744 5.921
201 HG2 LYS 25 HG2 LYS 25 18.789 6.874 5.292
202 HG3 LYS 25 HG3 LYS 25 17.346 6.056 5.892
203 HD2 LYS 25 HD2 LYS 25 18.010 6.194 8.077
204 HD3 LYS 25 HD3 LYS 25 19.714 5.969 7.680
205 HE2 LYS 25 HE2 LYS 25 19.893 8.286 6.918
206 HE3 LYS 25 HE3 LYS 25 18.154 8.531 7.174
207 HZ1 LYS 25 HZ1 LYS 25 20.106 7.724 9.272
208 HZ2 LYS 25 HZ2 LYS 25 18.440 7.974 9.504
209 HZ3 LYS 25 HZ3 LYS 25 19.449 9.278 9.095
Start of MODEL 23
1 HA HIS 1 HA HIS 1 -20.579 5.223 -4.915
2 HB2 HIS 1 HB2 HIS 1 -17.748 5.457 -5.911
3 HB3 HIS 1 HB3 HIS 1 -18.930 4.569 -6.871
4 HD1 HIS 1 HD1 HIS 1 -17.781 7.957 -6.127
5 HD2 HIS 1 HD2 HIS 1 -21.308 6.232 -7.528
6 HE1 HIS 1 HE1 HIS 1 -19.139 9.833 -7.151
7 H ALA 2 H ALA 2 -17.438 3.470 -4.768
8 HA ALA 2 HA ALA 2 -18.984 0.921 -4.438
9 HB1 ALA 2 HB1 ALA 2 -16.292 1.639 -5.624
10 HB2 ALA 2 HB2 ALA 2 -17.694 0.963 -6.455
11 HB3 ALA 2 HB3 ALA 2 -16.774 -0.031 -5.325
12 H TRP 3 H TRP 3 -17.695 -0.781 -3.152
13 HA TRP 3 HA TRP 3 -16.762 0.452 -0.617
14 HB2 TRP 3 HB2 TRP 3 -17.969 -2.079 -1.560
15 HB3 TRP 3 HB3 TRP 3 -16.777 -2.276 -0.276
16 HD1 TRP 3 HD1 TRP 3 -20.182 -0.746 -1.006
17 HE1 TRP 3 HE1 TRP 3 -21.281 -0.046 1.217
18 HE3 TRP 3 HE3 TRP 3 -16.275 -1.515 2.188
19 HZ2 TRP 3 HZ2 TRP 3 -20.594 0.159 3.988
20 HZ3 TRP 3 HZ3 TRP 3 -16.522 -1.060 4.611
21 HH2 TRP 3 HH2 TRP 3 -18.676 -0.225 5.514
22 H TYR 4 H TYR 4 -14.741 1.134 -1.985
23 HA TYR 4 HA TYR 4 -12.747 -1.100 -2.094
24 HB2 TYR 4 HB2 TYR 4 -11.587 0.308 -3.723
25 HB3 TYR 4 HB3 TYR 4 -13.278 0.153 -4.190
26 HD1 TYR 4 HD1 TYR 4 -10.764 2.413 -2.654
27 HD2 TYR 4 HD2 TYR 4 -14.758 2.057 -4.198
28 HE1 TYR 4 HE1 TYR 4 -11.000 4.880 -2.615
29 HE2 TYR 4 HE2 TYR 4 -14.992 4.525 -4.157
30 HH TYR 4 HH TYR 4 -13.223 6.543 -4.266
31 H SER 5 H SER 5 -13.668 1.016 0.159
32 HA SER 5 HA SER 5 -11.444 2.633 0.845
33 HB2 SER 5 HB2 SER 5 -13.760 2.625 1.837
34 HB3 SER 5 HB3 SER 5 -13.325 1.159 2.710
35 HG SER 5 HG SER 5 -11.716 2.315 3.769
36 H HIS 6 H HIS 6 -12.034 -0.800 1.437
37 HA HIS 6 HA HIS 6 -9.628 -1.092 3.107
38 HB2 HIS 6 HB2 HIS 6 -11.931 -2.735 2.174
39 HB3 HIS 6 HB3 HIS 6 -10.447 -3.615 2.540
40 HD1 HIS 6 HD1 HIS 6 -12.533 -0.872 4.210
41 HD2 HIS 6 HD2 HIS 6 -10.278 -4.231 5.216
42 HE1 HIS 6 HE1 HIS 6 -12.712 -1.130 6.723
43 H TYR 7 H TYR 7 -10.635 -1.741 -0.219
44 HA TYR 7 HA TYR 7 -8.337 -3.248 -1.047
45 HB2 TYR 7 HB2 TYR 7 -10.514 -1.631 -2.327
46 HB3 TYR 7 HB3 TYR 7 -9.143 -2.112 -3.325
47 HD1 TYR 7 HD1 TYR 7 -8.462 -4.616 -3.275
48 HD2 TYR 7 HD2 TYR 7 -12.263 -3.149 -1.911
49 HE1 TYR 7 HE1 TYR 7 -9.423 -6.891 -3.508
50 HE2 TYR 7 HE2 TYR 7 -13.223 -5.424 -2.145
51 HH TYR 7 HH TYR 7 -11.927 -7.978 -2.103
52 H VAL 8 H VAL 8 -9.078 0.236 -1.233
53 HA VAL 8 HA VAL 8 -6.583 1.022 -2.420
54 HB VAL 8 HB VAL 8 -8.769 2.320 -2.251
55 HG11 VAL 8 HG11 VAL 8 -9.281 3.526 -0.253
56 HG12 VAL 8 HG12 VAL 8 -7.739 3.096 0.486
57 HG13 VAL 8 HG13 VAL 8 -8.978 1.864 0.251
58 HG21 VAL 8 HG21 VAL 8 -6.296 3.769 -1.256
59 HG22 VAL 8 HG22 VAL 8 -7.657 4.488 -2.118
60 HG23 VAL 8 HG23 VAL 8 -6.596 3.345 -2.941
61 H LEU 9 H LEU 9 -7.541 0.318 0.886
62 HA LEU 9 HA LEU 9 -5.247 1.524 2.194
63 HB2 LEU 9 HB2 LEU 9 -7.579 0.787 3.095
64 HB3 LEU 9 HB3 LEU 9 -6.867 -0.823 3.194
65 HG LEU 9 HG LEU 9 -4.946 0.296 4.494
66 HD11 LEU 9 HD11 LEU 9 -7.055 2.472 4.568
67 HD12 LEU 9 HD12 LEU 9 -5.395 2.613 3.990
68 HD13 LEU 9 HD13 LEU 9 -5.713 2.380 5.709
69 HD21 LEU 9 HD21 LEU 9 -6.332 -1.086 5.780
70 HD22 LEU 9 HD22 LEU 9 -7.763 -0.102 5.475
71 HD23 LEU 9 HD23 LEU 9 -6.521 0.468 6.590
72 H LYS 10 H LYS 10 -5.991 -1.704 0.875
73 HA LYS 10 HA LYS 10 -3.639 -3.041 1.888
74 HB2 LYS 10 HB2 LYS 10 -5.924 -3.533 0.157
75 HB3 LYS 10 HB3 LYS 10 -4.462 -4.237 -0.533
76 HG2 LYS 10 HG2 LYS 10 -5.280 -5.940 0.879
77 HG3 LYS 10 HG3 LYS 10 -4.026 -5.166 1.847
78 HD2 LYS 10 HD2 LYS 10 -6.826 -4.115 2.039
79 HD3 LYS 10 HD3 LYS 10 -6.436 -5.624 2.866
80 HE2 LYS 10 HE2 LYS 10 -4.337 -4.239 3.731
81 HE3 LYS 10 HE3 LYS 10 -5.399 -2.857 3.394
82 HZ1 LYS 10 HZ1 LYS 10 -5.714 -3.786 5.650
83 HZ2 LYS 10 HZ2 LYS 10 -6.208 -5.255 4.955
84 HZ3 LYS 10 HZ3 LYS 10 -7.125 -3.844 4.710
85 H PHE 11 H PHE 11 -4.364 -1.397 -1.207
86 HA PHE 11 HA PHE 11 -1.854 -1.957 -2.491
87 HB2 PHE 11 HB2 PHE 11 -4.084 -1.094 -3.441
88 HB3 PHE 11 HB3 PHE 11 -3.589 0.498 -2.865
89 HD1 PHE 11 HD1 PHE 11 -2.456 -2.365 -4.989
90 HD2 PHE 11 HD2 PHE 11 -2.118 1.832 -4.137
91 HE1 PHE 11 HE1 PHE 11 -1.047 -2.069 -7.008
92 HE2 PHE 11 HE2 PHE 11 -0.709 2.128 -6.156
93 HZ PHE 11 HZ PHE 11 -0.174 0.177 -7.592
94 H PHE 12 H PHE 12 -2.939 0.738 -0.412
95 HA PHE 12 HA PHE 12 -0.612 2.392 -0.673
96 HB2 PHE 12 HB2 PHE 12 -2.977 2.095 1.072
97 HB3 PHE 12 HB3 PHE 12 -1.591 2.842 1.864
98 HD1 PHE 12 HD1 PHE 12 -3.589 3.017 -1.305
99 HD2 PHE 12 HD2 PHE 12 -1.155 5.119 1.543
100 HE1 PHE 12 HE1 PHE 12 -4.062 5.149 -2.476
101 HE2 PHE 12 HE2 PHE 12 -1.628 7.252 0.370
102 HZ PHE 12 HZ PHE 12 -3.082 7.267 -1.638
103 H LEU 13 H LEU 13 -1.444 -0.166 1.689
104 HA LEU 13 HA LEU 13 0.909 0.021 3.307
105 HB2 LEU 13 HB2 LEU 13 -1.299 -1.216 3.699
106 HB3 LEU 13 HB3 LEU 13 -0.672 -2.479 2.639
107 HG LEU 13 HG LEU 13 1.374 -1.830 4.529
108 HD11 LEU 13 HD11 LEU 13 0.370 -1.980 6.622
109 HD12 LEU 13 HD12 LEU 13 -1.072 -2.775 5.988
110 HD13 LEU 13 HD13 LEU 13 -0.840 -1.043 5.745
111 HD21 LEU 13 HD21 LEU 13 -0.448 -4.244 4.257
112 HD22 LEU 13 HD22 LEU 13 1.079 -4.213 5.138
113 HD23 LEU 13 HD23 LEU 13 1.066 -3.994 3.388
114 H LEU 14 H LEU 14 0.199 -1.891 0.372
115 HA LEU 14 HA LEU 14 2.670 -3.355 0.288
116 HB2 LEU 14 HB2 LEU 14 0.382 -3.601 -0.973
117 HB3 LEU 14 HB3 LEU 14 1.103 -2.485 -2.134
118 HG LEU 14 HG LEU 14 2.823 -4.754 -1.301
119 HD11 LEU 14 HD11 LEU 14 1.694 -6.404 -2.621
120 HD12 LEU 14 HD12 LEU 14 0.542 -5.219 -3.237
121 HD13 LEU 14 HD13 LEU 14 0.476 -5.716 -1.545
122 HD21 LEU 14 HD21 LEU 14 2.565 -2.854 -3.443
123 HD22 LEU 14 HD22 LEU 14 2.497 -4.480 -4.119
124 HD23 LEU 14 HD23 LEU 14 3.879 -3.991 -3.140
125 H VAL 15 H VAL 15 1.665 -0.263 -1.138
126 HA VAL 15 HA VAL 15 4.138 0.241 -2.561
127 HB VAL 15 HB VAL 15 1.785 1.916 -1.635
128 HG11 VAL 15 HG11 VAL 15 3.689 3.427 -1.766
129 HG12 VAL 15 HG12 VAL 15 2.669 3.679 -3.182
130 HG13 VAL 15 HG13 VAL 15 4.162 2.752 -3.325
131 HG21 VAL 15 HG21 VAL 15 2.628 1.233 -4.453
132 HG22 VAL 15 HG22 VAL 15 1.039 1.735 -3.876
133 HG23 VAL 15 HG23 VAL 15 1.645 0.123 -3.499
134 H PHE 16 H PHE 16 2.834 1.345 0.588
135 HA PHE 16 HA PHE 16 4.977 3.064 1.341
136 HB2 PHE 16 HB2 PHE 16 2.638 2.648 2.363
137 HB3 PHE 16 HB3 PHE 16 3.392 1.305 3.222
138 HD1 PHE 16 HD1 PHE 16 3.318 4.973 2.805
139 HD2 PHE 16 HD2 PHE 16 5.027 1.688 4.983
140 HE1 PHE 16 HE1 PHE 16 4.217 6.557 4.491
141 HE2 PHE 16 HE2 PHE 16 5.925 3.270 6.667
142 HZ PHE 16 HZ PHE 16 5.520 5.705 6.422
143 H GLY 17 H GLY 17 4.642 -0.469 1.592
144 HA2 GLY 17 HA2 GLY 17 6.984 -0.824 3.273
145 HA3 GLY 17 HA3 GLY 17 6.147 -2.099 2.388
146 H GLU 18 H GLU 18 6.374 -1.382 -0.222
147 HA GLU 18 HA GLU 18 9.074 -2.053 -0.895
148 HB2 GLU 18 HB2 GLU 18 6.629 -1.955 -2.147
149 HB3 GLU 18 HB3 GLU 18 7.469 -0.605 -2.910
150 HG2 GLU 18 HG2 GLU 18 8.654 -3.383 -2.657
151 HG3 GLU 18 HG3 GLU 18 7.787 -2.818 -4.084
152 H ASN 19 H ASN 19 7.349 1.069 -1.029
153 HA ASN 19 HA ASN 19 9.505 2.653 -2.024
154 HB2 ASN 19 HB2 ASN 19 6.984 3.099 -0.466
155 HB3 ASN 19 HB3 ASN 19 8.126 4.435 -0.602
156 HD21 ASN 19 HD21 ASN 19 6.379 2.051 -2.673
157 HD22 ASN 19 HD22 ASN 19 6.264 3.084 -4.014
158 H GLY 20 H GLY 20 8.727 1.510 1.207
159 HA2 GLY 20 HA2 GLY 20 10.717 3.186 2.532
160 HA3 GLY 20 HA3 GLY 20 9.791 1.885 3.282
161 H VAL 21 H VAL 21 10.534 -0.172 1.346
162 HA VAL 21 HA VAL 21 12.797 -1.313 2.526
163 HB VAL 21 HB VAL 21 11.588 -1.522 -0.237
164 HG11 VAL 21 HG11 VAL 21 13.855 -2.216 -0.590
165 HG12 VAL 21 HG12 VAL 21 12.917 -3.695 -0.385
166 HG13 VAL 21 HG13 VAL 21 13.900 -3.083 0.946
167 HG21 VAL 21 HG21 VAL 21 10.257 -3.103 0.702
168 HG22 VAL 21 HG22 VAL 21 10.772 -2.428 2.248
169 HG23 VAL 21 HG23 VAL 21 11.601 -3.833 1.579
170 H PHE 22 H PHE 22 12.764 0.828 -0.343
171 HA PHE 22 HA PHE 22 15.753 0.898 -0.210
172 HB2 PHE 22 HB2 PHE 22 15.611 1.688 -2.534
173 HB3 PHE 22 HB3 PHE 22 14.704 0.194 -2.334
174 HD1 PHE 22 HD1 PHE 22 14.264 3.922 -2.317
175 HD2 PHE 22 HD2 PHE 22 12.462 0.084 -3.010
176 HE1 PHE 22 HE1 PHE 22 12.235 5.035 -3.204
177 HE2 PHE 22 HE2 PHE 22 10.433 1.199 -3.895
178 HZ PHE 22 HZ PHE 22 10.319 3.673 -3.993
179 H PHE 23 H PHE 23 13.347 2.628 1.140
180 HA PHE 23 HA PHE 23 14.986 5.054 1.341
181 HB2 PHE 23 HB2 PHE 23 13.533 5.069 -0.823
182 HB3 PHE 23 HB3 PHE 23 12.185 5.366 0.272
183 HD1 PHE 23 HD1 PHE 23 15.497 6.660 -0.833
184 HD2 PHE 23 HD2 PHE 23 11.853 7.504 1.281
185 HE1 PHE 23 HE1 PHE 23 16.125 9.056 -0.706
186 HE2 PHE 23 HE2 PHE 23 12.482 9.899 1.408
187 HZ PHE 23 HZ PHE 23 14.617 10.676 0.415
188 H TYR 24 H TYR 24 14.753 3.991 3.548
189 HA TYR 24 HA TYR 24 12.548 5.294 5.034
190 HB2 TYR 24 HB2 TYR 24 11.904 2.951 4.173
191 HB3 TYR 24 HB3 TYR 24 13.054 2.328 5.353
192 HD1 TYR 24 HD1 TYR 24 9.934 4.286 4.908
193 HD2 TYR 24 HD2 TYR 24 12.559 2.363 7.713
194 HE1 TYR 24 HE1 TYR 24 8.228 4.551 6.687
195 HE2 TYR 24 HE2 TYR 24 10.852 2.629 9.491
196 HH TYR 24 HH TYR 24 7.875 3.010 9.137
197 H LYS 25 H LYS 25 14.695 6.398 5.554
198 HA LYS 25 HA LYS 25 16.154 4.939 7.736
199 HB2 LYS 25 HB2 LYS 25 18.116 6.158 7.044
200 HB3 LYS 25 HB3 LYS 25 17.374 5.515 5.581
201 HG2 LYS 25 HG2 LYS 25 16.100 7.865 5.640
202 HG3 LYS 25 HG3 LYS 25 17.540 8.340 6.540
203 HD2 LYS 25 HD2 LYS 25 18.981 7.621 4.723
204 HD3 LYS 25 HD3 LYS 25 17.605 6.956 3.842
205 HE2 LYS 25 HE2 LYS 25 17.436 9.836 4.630
206 HE3 LYS 25 HE3 LYS 25 18.542 9.417 3.309
207 HZ1 LYS 25 HZ1 LYS 25 15.823 8.266 3.396
208 HZ2 LYS 25 HZ2 LYS 25 16.850 8.488 2.060
209 HZ3 LYS 25 HZ3 LYS 25 16.065 9.820 2.760
Start of MODEL 24
1 HA HIS 1 HA HIS 1 -17.854 5.835 2.212
2 HB2 HIS 1 HB2 HIS 1 -16.805 5.723 4.568
3 HB3 HIS 1 HB3 HIS 1 -17.064 3.981 4.472
4 HD1 HIS 1 HD1 HIS 1 -15.335 6.757 2.511
5 HD2 HIS 1 HD2 HIS 1 -15.094 2.631 3.063
6 HE1 HIS 1 HE1 HIS 1 -13.280 5.982 1.249
7 H ALA 2 H ALA 2 -17.152 3.926 0.917
8 HA ALA 2 HA ALA 2 -19.315 1.889 0.746
9 HB1 ALA 2 HB1 ALA 2 -16.969 2.510 -1.080
10 HB2 ALA 2 HB2 ALA 2 -18.556 3.270 -1.206
11 HB3 ALA 2 HB3 ALA 2 -18.383 1.537 -1.486
12 H TRP 3 H TRP 3 -18.192 -0.310 -0.237
13 HA TRP 3 HA TRP 3 -16.600 -1.391 1.985
14 HB2 TRP 3 HB2 TRP 3 -18.061 -2.374 -0.435
15 HB3 TRP 3 HB3 TRP 3 -16.807 -3.417 0.231
16 HD1 TRP 3 HD1 TRP 3 -17.373 -4.762 2.340
17 HE1 TRP 3 HE1 TRP 3 -19.400 -4.883 3.930
18 HE3 TRP 3 HE3 TRP 3 -20.076 -0.776 0.636
19 HZ2 TRP 3 HZ2 TRP 3 -21.842 -3.477 4.414
20 HZ3 TRP 3 HZ3 TRP 3 -22.246 -0.191 1.678
21 HH2 TRP 3 HH2 TRP 3 -23.132 -1.535 3.563
22 H TYR 4 H TYR 4 -14.915 0.429 1.084
23 HA TYR 4 HA TYR 4 -12.835 -1.115 -0.374
24 HB2 TYR 4 HB2 TYR 4 -14.525 0.721 -1.620
25 HB3 TYR 4 HB3 TYR 4 -13.052 1.642 -1.319
26 HD1 TYR 4 HD1 TYR 4 -14.238 -1.645 -2.667
27 HD2 TYR 4 HD2 TYR 4 -11.198 1.389 -2.735
28 HE1 TYR 4 HE1 TYR 4 -13.124 -2.803 -4.555
29 HE2 TYR 4 HE2 TYR 4 -10.084 0.230 -4.622
30 HH TYR 4 HH TYR 4 -10.323 -2.671 -5.392
31 H SER 5 H SER 5 -13.330 0.173 2.427
32 HA SER 5 HA SER 5 -11.386 2.322 2.663
33 HB2 SER 5 HB2 SER 5 -11.788 1.965 5.082
34 HB3 SER 5 HB3 SER 5 -13.305 1.995 4.189
35 HG SER 5 HG SER 5 -12.385 0.087 5.752
36 H HIS 6 H HIS 6 -11.317 -1.187 3.113
37 HA HIS 6 HA HIS 6 -8.516 -1.160 4.034
38 HB2 HIS 6 HB2 HIS 6 -10.543 -2.741 4.659
39 HB3 HIS 6 HB3 HIS 6 -10.055 -3.606 3.202
40 HD1 HIS 6 HD1 HIS 6 -9.433 -5.530 5.063
41 HD2 HIS 6 HD2 HIS 6 -6.990 -2.153 4.987
42 HE1 HIS 6 HE1 HIS 6 -7.312 -6.151 6.299
43 H TYR 7 H TYR 7 -10.303 -1.579 1.059
44 HA TYR 7 HA TYR 7 -8.394 -3.000 -0.513
45 HB2 TYR 7 HB2 TYR 7 -10.591 -1.002 -1.029
46 HB3 TYR 7 HB3 TYR 7 -9.589 -1.565 -2.364
47 HD1 TYR 7 HD1 TYR 7 -11.995 -2.603 0.254
48 HD2 TYR 7 HD2 TYR 7 -9.769 -3.815 -3.212
49 HE1 TYR 7 HE1 TYR 7 -13.359 -4.665 0.101
50 HE2 TYR 7 HE2 TYR 7 -11.131 -5.881 -3.364
51 HH TYR 7 HH TYR 7 -12.594 -7.271 -1.326
52 H VAL 8 H VAL 8 -8.865 0.503 -0.049
53 HA VAL 8 HA VAL 8 -6.678 1.370 -1.678
54 HB VAL 8 HB VAL 8 -8.636 2.704 -0.757
55 HG11 VAL 8 HG11 VAL 8 -8.758 3.338 1.457
56 HG12 VAL 8 HG12 VAL 8 -7.013 3.239 1.694
57 HG13 VAL 8 HG13 VAL 8 -7.983 1.768 1.655
58 HG21 VAL 8 HG21 VAL 8 -6.686 3.789 -1.813
59 HG22 VAL 8 HG22 VAL 8 -5.858 3.816 -0.256
60 HG23 VAL 8 HG23 VAL 8 -7.319 4.773 -0.494
61 H LEU 9 H LEU 9 -6.823 0.161 1.615
62 HA LEU 9 HA LEU 9 -4.186 1.047 2.446
63 HB2 LEU 9 HB2 LEU 9 -6.177 0.374 3.886
64 HB3 LEU 9 HB3 LEU 9 -5.835 -1.298 3.441
65 HG LEU 9 HG LEU 9 -3.387 -0.050 4.280
66 HD11 LEU 9 HD11 LEU 9 -4.558 1.530 5.608
67 HD12 LEU 9 HD12 LEU 9 -4.154 0.228 6.726
68 HD13 LEU 9 HD13 LEU 9 -5.787 0.352 6.071
69 HD21 LEU 9 HD21 LEU 9 -3.230 -1.970 5.635
70 HD22 LEU 9 HD22 LEU 9 -4.263 -2.509 4.312
71 HD23 LEU 9 HD23 LEU 9 -4.975 -2.066 5.863
72 H LYS 10 H LYS 10 -5.499 -1.922 0.955
73 HA LYS 10 HA LYS 10 -3.108 -3.511 1.136
74 HB2 LYS 10 HB2 LYS 10 -5.714 -3.509 -0.264
75 HB3 LYS 10 HB3 LYS 10 -4.437 -4.377 -1.114
76 HG2 LYS 10 HG2 LYS 10 -5.206 -6.071 0.261
77 HG3 LYS 10 HG3 LYS 10 -3.974 -5.370 1.311
78 HD2 LYS 10 HD2 LYS 10 -5.717 -3.955 2.379
79 HD3 LYS 10 HD3 LYS 10 -6.938 -4.724 1.363
80 HE2 LYS 10 HE2 LYS 10 -7.032 -5.948 3.404
81 HE3 LYS 10 HE3 LYS 10 -6.033 -6.966 2.349
82 HZ1 LYS 10 HZ1 LYS 10 -5.105 -6.409 4.649
83 HZ2 LYS 10 HZ2 LYS 10 -4.831 -4.848 4.035
84 HZ3 LYS 10 HZ3 LYS 10 -4.074 -6.191 3.320
85 H PHE 11 H PHE 11 -4.355 -1.367 -1.450
86 HA PHE 11 HA PHE 11 -2.145 -1.808 -3.265
87 HB2 PHE 11 HB2 PHE 11 -4.445 -0.946 -3.817
88 HB3 PHE 11 HB3 PHE 11 -4.027 0.562 -3.005
89 HD1 PHE 11 HD1 PHE 11 -2.891 -1.737 -5.733
90 HD2 PHE 11 HD2 PHE 11 -2.890 2.263 -4.167
91 HE1 PHE 11 HE1 PHE 11 -1.783 -0.928 -7.798
92 HE2 PHE 11 HE2 PHE 11 -1.782 3.071 -6.233
93 HZ PHE 11 HZ PHE 11 -1.228 1.476 -8.049
94 H PHE 12 H PHE 12 -2.855 0.706 -0.823
95 HA PHE 12 HA PHE 12 -0.553 2.351 -1.325
96 HB2 PHE 12 HB2 PHE 12 -2.636 2.950 -0.058
97 HB3 PHE 12 HB3 PHE 12 -2.106 1.888 1.245
98 HD1 PHE 12 HD1 PHE 12 -1.024 4.843 -0.782
99 HD2 PHE 12 HD2 PHE 12 -0.644 2.678 2.909
100 HE1 PHE 12 HE1 PHE 12 0.368 6.671 0.147
101 HE2 PHE 12 HE2 PHE 12 0.748 4.508 3.838
102 HZ PHE 12 HZ PHE 12 1.254 6.505 2.458
103 H LEU 13 H LEU 13 -1.119 -0.335 0.978
104 HA LEU 13 HA LEU 13 1.443 -0.245 2.267
105 HB2 LEU 13 HB2 LEU 13 -0.590 -1.428 3.080
106 HB3 LEU 13 HB3 LEU 13 -0.439 -2.575 1.749
107 HG LEU 13 HG LEU 13 2.060 -2.290 3.239
108 HD11 LEU 13 HD11 LEU 13 1.360 -3.295 5.310
109 HD12 LEU 13 HD12 LEU 13 -0.293 -3.487 4.726
110 HD13 LEU 13 HD13 LEU 13 0.345 -1.876 5.058
111 HD21 LEU 13 HD21 LEU 13 0.422 -4.797 3.062
112 HD22 LEU 13 HD22 LEU 13 2.164 -4.585 2.884
113 HD23 LEU 13 HD23 LEU 13 1.080 -4.112 1.577
114 H LEU 14 H LEU 14 0.368 -1.691 -0.781
115 HA LEU 14 HA LEU 14 2.697 -3.377 -1.159
116 HB2 LEU 14 HB2 LEU 14 0.301 -3.432 -2.199
117 HB3 LEU 14 HB3 LEU 14 0.952 -2.261 -3.347
118 HG LEU 14 HG LEU 14 2.935 -4.065 -3.456
119 HD11 LEU 14 HD11 LEU 14 2.235 -6.288 -3.122
120 HD12 LEU 14 HD12 LEU 14 0.528 -5.848 -3.110
121 HD13 LEU 14 HD13 LEU 14 1.554 -5.441 -1.733
122 HD21 LEU 14 HD21 LEU 14 0.366 -3.740 -4.932
123 HD22 LEU 14 HD22 LEU 14 1.293 -5.201 -5.274
124 HD23 LEU 14 HD23 LEU 14 2.024 -3.615 -5.520
125 H VAL 15 H VAL 15 1.898 -0.042 -1.992
126 HA VAL 15 HA VAL 15 4.434 0.250 -3.530
127 HB VAL 15 HB VAL 15 1.994 2.002 -3.076
128 HG11 VAL 15 HG11 VAL 15 3.476 3.693 -3.503
129 HG12 VAL 15 HG12 VAL 15 3.290 3.149 -5.170
130 HG13 VAL 15 HG13 VAL 15 4.669 2.607 -4.214
131 HG21 VAL 15 HG21 VAL 15 3.069 0.472 -5.468
132 HG22 VAL 15 HG22 VAL 15 1.707 1.594 -5.538
133 HG23 VAL 15 HG23 VAL 15 1.590 0.124 -4.571
134 H PHE 16 H PHE 16 2.715 2.211 -1.049
135 HA PHE 16 HA PHE 16 5.053 3.634 -0.184
136 HB2 PHE 16 HB2 PHE 16 2.507 4.085 0.114
137 HB3 PHE 16 HB3 PHE 16 2.637 3.035 1.525
138 HD1 PHE 16 HD1 PHE 16 3.996 6.135 -0.035
139 HD2 PHE 16 HD2 PHE 16 3.602 3.810 3.556
140 HE1 PHE 16 HE1 PHE 16 4.915 8.021 1.287
141 HE2 PHE 16 HE2 PHE 16 4.521 5.697 4.878
142 HZ PHE 16 HZ PHE 16 5.177 7.802 3.743
143 H GLY 17 H GLY 17 3.602 0.560 0.868
144 HA2 GLY 17 HA2 GLY 17 5.145 0.268 3.278
145 HA3 GLY 17 HA3 GLY 17 4.360 -1.048 2.407
146 H GLU 18 H GLU 18 5.643 -0.987 -0.047
147 HA GLU 18 HA GLU 18 8.097 -2.353 0.448
148 HB2 GLU 18 HB2 GLU 18 6.511 -2.316 -1.604
149 HB3 GLU 18 HB3 GLU 18 7.406 -0.878 -2.099
150 HG2 GLU 18 HG2 GLU 18 9.518 -2.167 -2.019
151 HG3 GLU 18 HG3 GLU 18 8.615 -3.607 -1.543
152 H ASN 19 H ASN 19 7.447 1.036 -0.383
153 HA ASN 19 HA ASN 19 10.139 1.903 -0.771
154 HB2 ASN 19 HB2 ASN 19 7.591 3.233 0.175
155 HB3 ASN 19 HB3 ASN 19 9.078 4.147 -0.079
156 HD21 ASN 19 HD21 ASN 19 6.421 4.108 -1.642
157 HD22 ASN 19 HD22 ASN 19 6.894 3.834 -3.248
158 H GLY 20 H GLY 20 8.219 1.446 2.156
159 HA2 GLY 20 HA2 GLY 20 10.295 2.598 3.887
160 HA3 GLY 20 HA3 GLY 20 8.785 1.864 4.428
161 H VAL 21 H VAL 21 8.968 -0.643 3.149
162 HA VAL 21 HA VAL 21 10.615 -2.113 4.969
163 HB VAL 21 HB VAL 21 9.267 -2.771 2.336
164 HG11 VAL 21 HG11 VAL 21 11.069 -4.378 2.614
165 HG12 VAL 21 HG12 VAL 21 9.550 -5.169 3.036
166 HG13 VAL 21 HG13 VAL 21 10.643 -4.623 4.308
167 HG21 VAL 21 HG21 VAL 21 7.555 -3.735 3.723
168 HG22 VAL 21 HG22 VAL 21 7.910 -2.145 4.397
169 HG23 VAL 21 HG23 VAL 21 8.559 -3.592 5.166
170 H PHE 22 H PHE 22 11.265 -0.828 1.750
171 HA PHE 22 HA PHE 22 13.881 -2.243 1.649
172 HB2 PHE 22 HB2 PHE 22 11.973 -1.783 -0.221
173 HB3 PHE 22 HB3 PHE 22 13.009 -0.382 -0.496
174 HD1 PHE 22 HD1 PHE 22 12.838 -4.070 -0.513
175 HD2 PHE 22 HD2 PHE 22 15.285 -0.631 -1.316
176 HE1 PHE 22 HE1 PHE 22 14.459 -5.505 -1.724
177 HE2 PHE 22 HE2 PHE 22 16.904 -2.066 -2.527
178 HZ PHE 22 HZ PHE 22 16.492 -4.503 -2.730
179 H PHE 23 H PHE 23 12.617 0.838 2.553
180 HA PHE 23 HA PHE 23 15.372 1.895 2.841
181 HB2 PHE 23 HB2 PHE 23 13.426 2.653 0.789
182 HB3 PHE 23 HB3 PHE 23 14.001 4.038 1.714
183 HD1 PHE 23 HD1 PHE 23 16.602 4.138 2.125
184 HD2 PHE 23 HD2 PHE 23 14.723 1.855 -0.991
185 HE1 PHE 23 HE1 PHE 23 18.738 4.096 0.866
186 HE2 PHE 23 HE2 PHE 23 16.859 1.813 -2.249
187 HZ PHE 23 HZ PHE 23 18.866 2.934 -1.320
188 H TYR 24 H TYR 24 14.370 1.408 5.106
189 HA TYR 24 HA TYR 24 13.579 3.942 6.317
190 HB2 TYR 24 HB2 TYR 24 11.545 2.550 5.177
191 HB3 TYR 24 HB3 TYR 24 11.528 1.845 6.792
192 HD1 TYR 24 HD1 TYR 24 11.278 3.343 8.798
193 HD2 TYR 24 HD2 TYR 24 10.825 4.792 4.779
194 HE1 TYR 24 HE1 TYR 24 10.134 5.368 9.656
195 HE2 TYR 24 HE2 TYR 24 9.681 6.817 5.638
196 HH TYR 24 HH TYR 24 9.862 8.022 8.342
197 H LYS 25 H LYS 25 15.752 2.232 6.814
198 HA LYS 25 HA LYS 25 15.073 1.120 9.522
199 HB2 LYS 25 HB2 LYS 25 16.656 -0.663 9.066
200 HB3 LYS 25 HB3 LYS 25 15.540 -0.565 7.707
201 HG2 LYS 25 HG2 LYS 25 17.142 0.485 6.315
202 HG3 LYS 25 HG3 LYS 25 18.170 0.920 7.680
203 HD2 LYS 25 HD2 LYS 25 17.599 -1.976 7.100
204 HD3 LYS 25 HD3 LYS 25 18.842 -1.123 6.183
205 HE2 LYS 25 HE2 LYS 25 20.216 -0.838 8.043
206 HE3 LYS 25 HE3 LYS 25 18.857 -0.894 9.182
207 HZ1 LYS 25 HZ1 LYS 25 20.123 -2.974 9.205
208 HZ2 LYS 25 HZ2 LYS 25 19.824 -3.186 7.546
209 HZ3 LYS 25 HZ3 LYS 25 18.538 -3.226 8.657
Start of MODEL 25
1 HA HIS 1 HA HIS 1 -21.611 2.688 3.207
2 HB2 HIS 1 HB2 HIS 1 -22.680 4.312 1.770
3 HB3 HIS 1 HB3 HIS 1 -21.729 5.201 2.955
4 HD1 HIS 1 HD1 HIS 1 -21.796 4.264 -0.694
5 HD2 HIS 1 HD2 HIS 1 -19.536 6.644 1.878
6 HE1 HIS 1 HE1 HIS 1 -20.291 5.676 -2.161
7 H ALA 2 H ALA 2 -18.906 3.226 0.974
8 HA ALA 2 HA ALA 2 -19.931 0.948 -0.694
9 HB1 ALA 2 HB1 ALA 2 -20.143 3.017 -1.920
10 HB2 ALA 2 HB2 ALA 2 -18.731 2.184 -2.569
11 HB3 ALA 2 HB3 ALA 2 -18.522 3.528 -1.446
12 H TRP 3 H TRP 3 -17.761 0.411 -2.205
13 HA TRP 3 HA TRP 3 -15.846 -0.715 -0.288
14 HB2 TRP 3 HB2 TRP 3 -14.899 -1.720 -2.408
15 HB3 TRP 3 HB3 TRP 3 -16.611 -2.046 -2.172
16 HD1 TRP 3 HD1 TRP 3 -14.253 0.174 -4.248
17 HE1 TRP 3 HE1 TRP 3 -15.514 0.946 -6.359
18 HE3 TRP 3 HE3 TRP 3 -18.902 -1.678 -3.231
19 HZ2 TRP 3 HZ2 TRP 3 -18.143 0.800 -7.470
20 HZ3 TRP 3 HZ3 TRP 3 -20.763 -1.349 -4.833
21 HH2 TRP 3 HH2 TRP 3 -20.390 -0.113 -6.949
22 H TYR 4 H TYR 4 -13.586 -0.440 -2.300
23 HA TYR 4 HA TYR 4 -11.763 0.989 -2.711
24 HB2 TYR 4 HB2 TYR 4 -14.202 2.650 -2.827
25 HB3 TYR 4 HB3 TYR 4 -12.731 3.561 -2.504
26 HD1 TYR 4 HD1 TYR 4 -10.678 2.092 -3.992
27 HD2 TYR 4 HD2 TYR 4 -14.739 2.986 -5.074
28 HE1 TYR 4 HE1 TYR 4 -10.073 1.944 -6.390
29 HE2 TYR 4 HE2 TYR 4 -14.132 2.837 -7.471
30 HH TYR 4 HH TYR 4 -11.545 3.186 -8.739
31 H SER 5 H SER 5 -12.895 0.405 0.194
32 HA SER 5 HA SER 5 -11.424 2.586 1.617
33 HB2 SER 5 HB2 SER 5 -12.710 1.524 3.593
34 HB3 SER 5 HB3 SER 5 -13.666 2.385 2.391
35 HG SER 5 HG SER 5 -14.675 0.570 2.107
36 H HIS 6 H HIS 6 -11.890 -0.949 1.651
37 HA HIS 6 HA HIS 6 -9.468 -1.370 3.269
38 HB2 HIS 6 HB2 HIS 6 -11.631 -2.695 3.401
39 HB3 HIS 6 HB3 HIS 6 -11.238 -3.361 1.817
40 HD1 HIS 6 HD1 HIS 6 -10.315 -3.566 5.423
41 HD2 HIS 6 HD2 HIS 6 -8.944 -5.109 1.801
42 HE1 HIS 6 HE1 HIS 6 -8.696 -5.425 6.003
43 H TYR 7 H TYR 7 -10.485 -1.718 -0.100
44 HA TYR 7 HA TYR 7 -8.195 -3.126 -1.085
45 HB2 TYR 7 HB2 TYR 7 -10.130 -1.164 -2.357
46 HB3 TYR 7 HB3 TYR 7 -8.973 -2.123 -3.278
47 HD1 TYR 7 HD1 TYR 7 -9.010 -4.719 -2.816
48 HD2 TYR 7 HD2 TYR 7 -12.251 -2.045 -1.919
49 HE1 TYR 7 HE1 TYR 7 -10.586 -6.633 -2.798
50 HE2 TYR 7 HE2 TYR 7 -13.826 -3.960 -1.902
51 HH TYR 7 HH TYR 7 -13.287 -6.773 -1.425
52 H VAL 8 H VAL 8 -8.887 0.368 -0.867
53 HA VAL 8 HA VAL 8 -6.372 1.216 -1.997
54 HB VAL 8 HB VAL 8 -8.571 2.513 -1.692
55 HG11 VAL 8 HG11 VAL 8 -9.067 3.519 0.373
56 HG12 VAL 8 HG12 VAL 8 -7.445 3.239 1.006
57 HG13 VAL 8 HG13 VAL 8 -8.570 1.893 0.836
58 HG21 VAL 8 HG21 VAL 8 -7.377 4.664 -1.376
59 HG22 VAL 8 HG22 VAL 8 -6.496 3.585 -2.458
60 HG23 VAL 8 HG23 VAL 8 -5.968 3.783 -0.787
61 H LEU 9 H LEU 9 -7.354 0.173 1.196
62 HA LEU 9 HA LEU 9 -5.110 1.266 2.670
63 HB2 LEU 9 HB2 LEU 9 -7.503 0.216 3.311
64 HB3 LEU 9 HB3 LEU 9 -6.526 -1.236 3.503
65 HG LEU 9 HG LEU 9 -6.732 0.040 5.625
66 HD11 LEU 9 HD11 LEU 9 -4.484 -0.209 6.253
67 HD12 LEU 9 HD12 LEU 9 -3.887 0.320 4.680
68 HD13 LEU 9 HD13 LEU 9 -4.619 -1.275 4.855
69 HD21 LEU 9 HD21 LEU 9 -6.790 2.288 4.348
70 HD22 LEU 9 HD22 LEU 9 -5.030 2.177 4.334
71 HD23 LEU 9 HD23 LEU 9 -5.898 2.243 5.868
72 H LYS 10 H LYS 10 -5.771 -1.879 1.084
73 HA LYS 10 HA LYS 10 -3.278 -3.112 1.945
74 HB2 LYS 10 HB2 LYS 10 -5.526 -4.149 1.159
75 HB3 LYS 10 HB3 LYS 10 -4.932 -3.853 -0.475
76 HG2 LYS 10 HG2 LYS 10 -4.278 -6.091 0.071
77 HG3 LYS 10 HG3 LYS 10 -2.818 -5.110 0.198
78 HD2 LYS 10 HD2 LYS 10 -2.586 -5.951 2.282
79 HD3 LYS 10 HD3 LYS 10 -3.951 -4.933 2.739
80 HE2 LYS 10 HE2 LYS 10 -4.856 -7.385 1.433
81 HE3 LYS 10 HE3 LYS 10 -3.883 -7.728 2.876
82 HZ1 LYS 10 HZ1 LYS 10 -5.212 -6.231 4.158
83 HZ2 LYS 10 HZ2 LYS 10 -6.268 -7.300 3.366
84 HZ3 LYS 10 HZ3 LYS 10 -6.069 -5.715 2.788
85 H PHE 11 H PHE 11 -4.339 -1.385 -0.987
86 HA PHE 11 HA PHE 11 -2.003 -1.851 -2.586
87 HB2 PHE 11 HB2 PHE 11 -4.200 -1.008 -3.383
88 HB3 PHE 11 HB3 PHE 11 -3.939 0.493 -2.496
89 HD1 PHE 11 HD1 PHE 11 -2.464 -1.662 -5.175
90 HD2 PHE 11 HD2 PHE 11 -2.730 2.270 -3.466
91 HE1 PHE 11 HE1 PHE 11 -1.201 -0.740 -7.099
92 HE2 PHE 11 HE2 PHE 11 -1.466 3.191 -5.390
93 HZ PHE 11 HZ PHE 11 -0.702 1.686 -7.206
94 H PHE 12 H PHE 12 -2.835 0.795 -0.314
95 HA PHE 12 HA PHE 12 -0.460 2.360 -0.718
96 HB2 PHE 12 HB2 PHE 12 -2.772 2.762 0.523
97 HB3 PHE 12 HB3 PHE 12 -1.876 2.182 1.926
98 HD1 PHE 12 HD1 PHE 12 0.403 3.298 2.430
99 HD2 PHE 12 HD2 PHE 12 -2.543 4.991 -0.201
100 HE1 PHE 12 HE1 PHE 12 1.470 5.524 2.669
101 HE2 PHE 12 HE2 PHE 12 -1.474 7.217 0.037
102 HZ PHE 12 HZ PHE 12 0.531 7.483 1.471
103 H LEU 13 H LEU 13 -1.244 -0.245 1.602
104 HA LEU 13 HA LEU 13 1.192 -0.169 3.107
105 HB2 LEU 13 HB2 LEU 13 -1.086 -1.375 3.484
106 HB3 LEU 13 HB3 LEU 13 -0.403 -2.657 2.482
107 HG LEU 13 HG LEU 13 1.660 -2.411 4.119
108 HD11 LEU 13 HD11 LEU 13 -0.672 -1.291 5.701
109 HD12 LEU 13 HD12 LEU 13 0.870 -0.499 5.372
110 HD13 LEU 13 HD13 LEU 13 0.809 -1.901 6.440
111 HD21 LEU 13 HD21 LEU 13 0.171 -4.408 3.824
112 HD22 LEU 13 HD22 LEU 13 -0.920 -3.725 5.032
113 HD23 LEU 13 HD23 LEU 13 0.718 -4.193 5.488
114 H LEU 14 H LEU 14 0.353 -1.669 0.011
115 HA LEU 14 HA LEU 14 2.819 -3.247 -0.155
116 HB2 LEU 14 HB2 LEU 14 0.392 -3.562 -1.189
117 HB3 LEU 14 HB3 LEU 14 1.055 -2.568 -2.486
118 HG LEU 14 HG LEU 14 3.074 -4.224 -2.396
119 HD11 LEU 14 HD11 LEU 14 0.873 -5.928 -1.187
120 HD12 LEU 14 HD12 LEU 14 2.285 -5.340 -0.309
121 HD13 LEU 14 HD13 LEU 14 2.487 -6.473 -1.644
122 HD21 LEU 14 HD21 LEU 14 1.882 -5.746 -3.968
123 HD22 LEU 14 HD22 LEU 14 1.541 -4.048 -4.301
124 HD23 LEU 14 HD23 LEU 14 0.348 -5.039 -3.459
125 H VAL 15 H VAL 15 1.507 -0.421 -1.903
126 HA VAL 15 HA VAL 15 3.878 0.129 -3.432
127 HB VAL 15 HB VAL 15 1.521 1.817 -2.525
128 HG11 VAL 15 HG11 VAL 15 2.936 3.525 -3.143
129 HG12 VAL 15 HG12 VAL 15 2.360 3.072 -4.746
130 HG13 VAL 15 HG13 VAL 15 3.919 2.482 -4.171
131 HG21 VAL 15 HG21 VAL 15 0.437 1.051 -4.387
132 HG22 VAL 15 HG22 VAL 15 1.550 -0.307 -4.226
133 HG23 VAL 15 HG23 VAL 15 1.914 1.001 -5.350
134 H PHE 16 H PHE 16 2.601 1.787 -0.500
135 HA PHE 16 HA PHE 16 5.001 3.361 -0.101
136 HB2 PHE 16 HB2 PHE 16 2.490 3.583 0.725
137 HB3 PHE 16 HB3 PHE 16 3.085 2.651 2.100
138 HD1 PHE 16 HD1 PHE 16 3.326 5.837 0.269
139 HD2 PHE 16 HD2 PHE 16 4.772 3.566 3.616
140 HE1 PHE 16 HE1 PHE 16 4.341 7.888 1.222
141 HE2 PHE 16 HE2 PHE 16 5.787 5.617 4.568
142 HZ PHE 16 HZ PHE 16 5.572 7.779 3.372
143 H GLY 17 H GLY 17 3.976 0.144 0.948
144 HA2 GLY 17 HA2 GLY 17 5.832 -0.187 3.109
145 HA3 GLY 17 HA3 GLY 17 5.092 -1.502 2.195
146 H GLU 18 H GLU 18 6.069 -1.090 -0.358
147 HA GLU 18 HA GLU 18 8.746 -2.129 -0.175
148 HB2 GLU 18 HB2 GLU 18 6.783 -1.343 -2.255
149 HB3 GLU 18 HB3 GLU 18 8.471 -1.341 -2.770
150 HG2 GLU 18 HG2 GLU 18 8.758 -3.640 -2.145
151 HG3 GLU 18 HG3 GLU 18 7.206 -3.671 -1.307
152 H ASN 19 H ASN 19 7.499 1.129 -0.411
153 HA ASN 19 HA ASN 19 9.913 2.386 -1.403
154 HB2 ASN 19 HB2 ASN 19 7.304 3.164 -0.195
155 HB3 ASN 19 HB3 ASN 19 8.604 4.350 -0.080
156 HD21 ASN 19 HD21 ASN 19 6.485 2.642 -2.338
157 HD22 ASN 19 HD22 ASN 19 6.915 3.551 -3.705
158 H GLY 20 H GLY 20 8.937 1.188 1.712
159 HA2 GLY 20 HA2 GLY 20 11.257 2.588 2.980
160 HA3 GLY 20 HA3 GLY 20 9.808 2.113 3.861
161 H VAL 21 H VAL 21 9.649 -0.549 2.526
162 HA VAL 21 HA VAL 21 11.695 -1.897 4.207
163 HB VAL 21 HB VAL 21 9.215 -2.837 2.729
164 HG11 VAL 21 HG11 VAL 21 11.117 -4.323 4.567
165 HG12 VAL 21 HG12 VAL 21 10.751 -4.704 2.884
166 HG13 VAL 21 HG13 VAL 21 9.516 -4.915 4.123
167 HG21 VAL 21 HG21 VAL 21 8.968 -1.321 4.764
168 HG22 VAL 21 HG22 VAL 21 9.718 -2.607 5.710
169 HG23 VAL 21 HG23 VAL 21 8.178 -2.892 4.897
170 H PHE 22 H PHE 22 10.863 -1.471 0.811
171 HA PHE 22 HA PHE 22 12.936 -3.468 0.024
172 HB2 PHE 22 HB2 PHE 22 10.386 -2.545 -0.991
173 HB3 PHE 22 HB3 PHE 22 11.628 -2.390 -2.233
174 HD1 PHE 22 HD1 PHE 22 9.841 -4.739 -0.016
175 HD2 PHE 22 HD2 PHE 22 12.775 -4.341 -3.129
176 HE1 PHE 22 HE1 PHE 22 9.769 -7.188 -0.397
177 HE2 PHE 22 HE2 PHE 22 12.701 -6.789 -3.509
178 HZ PHE 22 HZ PHE 22 11.199 -8.213 -2.143
179 H PHE 23 H PHE 23 12.843 -0.205 0.689
180 HA PHE 23 HA PHE 23 15.035 0.349 -1.282
181 HB2 PHE 23 HB2 PHE 23 12.472 1.712 -0.718
182 HB3 PHE 23 HB3 PHE 23 13.864 2.789 -0.818
183 HD1 PHE 23 HD1 PHE 23 15.182 2.972 -2.881
184 HD2 PHE 23 HD2 PHE 23 11.732 0.422 -2.652
185 HE1 PHE 23 HE1 PHE 23 15.158 2.783 -5.353
186 HE2 PHE 23 HE2 PHE 23 11.708 0.234 -5.125
187 HZ PHE 23 HZ PHE 23 13.421 1.414 -6.476
188 H TYR 24 H TYR 24 15.171 -0.540 1.562
189 HA TYR 24 HA TYR 24 16.308 1.902 2.875
190 HB2 TYR 24 HB2 TYR 24 14.464 0.069 3.727
191 HB3 TYR 24 HB3 TYR 24 15.944 -0.626 4.382
192 HD1 TYR 24 HD1 TYR 24 13.699 2.303 4.416
193 HD2 TYR 24 HD2 TYR 24 17.238 0.531 6.089
194 HE1 TYR 24 HE1 TYR 24 13.684 3.989 6.234
195 HE2 TYR 24 HE2 TYR 24 17.222 2.218 7.906
196 HH TYR 24 HH TYR 24 15.959 4.907 7.906
197 H LYS 25 H LYS 25 17.863 0.716 0.851
198 HA LYS 25 HA LYS 25 20.170 -0.310 2.433
199 HB2 LYS 25 HB2 LYS 25 20.434 -2.179 0.829
200 HB3 LYS 25 HB3 LYS 25 18.868 -2.257 1.635
201 HG2 LYS 25 HG2 LYS 25 17.895 -1.017 -0.355
202 HG3 LYS 25 HG3 LYS 25 19.445 -1.250 -1.165
203 HD2 LYS 25 HD2 LYS 25 19.140 -3.525 -1.400
204 HD3 LYS 25 HD3 LYS 25 18.141 -3.649 0.049
205 HE2 LYS 25 HE2 LYS 25 16.218 -2.777 -1.076
206 HE3 LYS 25 HE3 LYS 25 17.189 -2.225 -2.455
207 HZ1 LYS 25 HZ1 LYS 25 17.729 -4.467 -3.011
208 HZ2 LYS 25 HZ2 LYS 25 16.041 -4.387 -2.833
209 HZ3 LYS 25 HZ3 LYS 25 16.995 -5.067 -1.602
Start of MODEL 26
1 HA HIS 1 HA HIS 1 -15.221 6.964 3.633
2 HB2 HIS 1 HB2 HIS 1 -14.845 6.043 0.789
3 HB3 HIS 1 HB3 HIS 1 -16.180 7.123 1.188
4 HD1 HIS 1 HD1 HIS 1 -12.591 7.106 0.487
5 HD2 HIS 1 HD2 HIS 1 -15.242 9.628 2.486
6 HE1 HIS 1 HE1 HIS 1 -11.404 9.327 0.754
7 H ALA 2 H ALA 2 -16.280 4.397 1.350
8 HA ALA 2 HA ALA 2 -18.347 3.475 3.265
9 HB1 ALA 2 HB1 ALA 2 -18.981 4.713 0.564
10 HB2 ALA 2 HB2 ALA 2 -19.272 5.483 2.125
11 HB3 ALA 2 HB3 ALA 2 -20.158 4.024 1.682
12 H TRP 3 H TRP 3 -17.630 1.337 3.121
13 HA TRP 3 HA TRP 3 -17.406 -0.826 2.213
14 HB2 TRP 3 HB2 TRP 3 -19.353 0.618 0.599
15 HB3 TRP 3 HB3 TRP 3 -18.472 -0.551 -0.381
16 HD1 TRP 3 HD1 TRP 3 -18.839 -3.095 0.098
17 HE1 TRP 3 HE1 TRP 3 -20.515 -4.391 1.568
18 HE3 TRP 3 HE3 TRP 3 -20.721 0.744 2.894
19 HZ2 TRP 3 HZ2 TRP 3 -22.402 -3.871 3.652
20 HZ3 TRP 3 HZ3 TRP 3 -22.455 0.316 4.611
21 HH2 TRP 3 HH2 TRP 3 -23.298 -1.986 4.993
22 H TYR 4 H TYR 4 -15.931 -1.969 0.825
23 HA TYR 4 HA TYR 4 -13.937 -2.195 -0.398
24 HB2 TYR 4 HB2 TYR 4 -14.695 -1.798 -2.487
25 HB3 TYR 4 HB3 TYR 4 -15.923 -0.720 -1.848
26 HD1 TYR 4 HD1 TYR 4 -12.555 -0.935 -3.340
27 HD2 TYR 4 HD2 TYR 4 -15.615 1.703 -1.878
28 HE1 TYR 4 HE1 TYR 4 -11.418 0.986 -4.415
29 HE2 TYR 4 HE2 TYR 4 -14.475 3.622 -2.947
30 HH TYR 4 HH TYR 4 -11.798 4.003 -3.657
31 H SER 5 H SER 5 -14.164 -0.027 1.856
32 HA SER 5 HA SER 5 -12.162 1.979 1.098
33 HB2 SER 5 HB2 SER 5 -14.132 2.231 2.699
34 HB3 SER 5 HB3 SER 5 -13.219 1.251 3.842
35 HG SER 5 HG SER 5 -12.153 2.990 4.316
36 H HIS 6 H HIS 6 -11.896 -1.271 1.943
37 HA HIS 6 HA HIS 6 -9.405 -0.954 3.521
38 HB2 HIS 6 HB2 HIS 6 -11.293 -3.173 2.785
39 HB3 HIS 6 HB3 HIS 6 -9.671 -3.575 3.348
40 HD1 HIS 6 HD1 HIS 6 -8.996 -2.500 5.748
41 HD2 HIS 6 HD2 HIS 6 -13.061 -2.503 4.825
42 HE1 HIS 6 HE1 HIS 6 -10.225 -2.102 7.927
43 H TYR 7 H TYR 7 -10.425 -1.625 0.256
44 HA TYR 7 HA TYR 7 -8.104 -3.020 -0.692
45 HB2 TYR 7 HB2 TYR 7 -10.138 -1.192 -2.006
46 HB3 TYR 7 HB3 TYR 7 -8.934 -2.103 -2.918
47 HD1 TYR 7 HD1 TYR 7 -8.791 -4.696 -2.235
48 HD2 TYR 7 HD2 TYR 7 -12.224 -2.173 -1.690
49 HE1 TYR 7 HE1 TYR 7 -10.252 -6.701 -2.158
50 HE2 TYR 7 HE2 TYR 7 -13.684 -4.175 -1.613
51 HH TYR 7 HH TYR 7 -13.278 -6.789 -2.702
52 H VAL 8 H VAL 8 -8.917 0.444 -0.586
53 HA VAL 8 HA VAL 8 -6.531 1.419 -1.825
54 HB VAL 8 HB VAL 8 -8.664 2.677 -1.397
55 HG11 VAL 8 HG11 VAL 8 -8.858 1.804 0.995
56 HG12 VAL 8 HG12 VAL 8 -9.189 3.521 0.776
57 HG13 VAL 8 HG13 VAL 8 -7.638 2.999 1.432
58 HG21 VAL 8 HG21 VAL 8 -7.545 4.815 -0.737
59 HG22 VAL 8 HG22 VAL 8 -6.646 3.924 -1.965
60 HG23 VAL 8 HG23 VAL 8 -6.113 3.888 -0.284
61 H LEU 9 H LEU 9 -7.253 0.434 1.482
62 HA LEU 9 HA LEU 9 -4.846 1.474 2.716
63 HB2 LEU 9 HB2 LEU 9 -6.971 0.841 3.877
64 HB3 LEU 9 HB3 LEU 9 -6.658 -0.847 3.479
65 HG LEU 9 HG LEU 9 -4.338 0.389 4.731
66 HD11 LEU 9 HD11 LEU 9 -5.434 0.485 7.021
67 HD12 LEU 9 HD12 LEU 9 -6.991 0.454 6.192
68 HD13 LEU 9 HD13 LEU 9 -5.876 1.795 5.927
69 HD21 LEU 9 HD21 LEU 9 -4.547 -1.597 6.188
70 HD22 LEU 9 HD22 LEU 9 -4.725 -2.044 4.491
71 HD23 LEU 9 HD23 LEU 9 -6.149 -1.918 5.524
72 H LYS 10 H LYS 10 -5.773 -1.713 1.366
73 HA LYS 10 HA LYS 10 -3.247 -3.012 1.951
74 HB2 LYS 10 HB2 LYS 10 -5.626 -3.943 1.410
75 HB3 LYS 10 HB3 LYS 10 -5.158 -3.731 -0.277
76 HG2 LYS 10 HG2 LYS 10 -3.268 -5.208 -0.014
77 HG3 LYS 10 HG3 LYS 10 -3.507 -5.284 1.733
78 HD2 LYS 10 HD2 LYS 10 -5.677 -6.387 1.410
79 HD3 LYS 10 HD3 LYS 10 -5.487 -6.276 -0.340
80 HE2 LYS 10 HE2 LYS 10 -3.134 -7.503 0.845
81 HE3 LYS 10 HE3 LYS 10 -4.602 -8.388 1.302
82 HZ1 LYS 10 HZ1 LYS 10 -5.292 -8.253 -1.068
83 HZ2 LYS 10 HZ2 LYS 10 -3.895 -9.188 -0.823
84 HZ3 LYS 10 HZ3 LYS 10 -3.765 -7.612 -1.444
85 H PHE 11 H PHE 11 -4.607 -1.453 -0.976
86 HA PHE 11 HA PHE 11 -2.437 -1.968 -2.756
87 HB2 PHE 11 HB2 PHE 11 -4.796 -1.017 -3.167
88 HB3 PHE 11 HB3 PHE 11 -4.130 0.542 -2.682
89 HD1 PHE 11 HD1 PHE 11 -3.725 -2.259 -5.111
90 HD2 PHE 11 HD2 PHE 11 -2.802 1.831 -4.173
91 HE1 PHE 11 HE1 PHE 11 -2.787 -1.949 -7.385
92 HE2 PHE 11 HE2 PHE 11 -1.866 2.141 -6.448
93 HZ PHE 11 HZ PHE 11 -1.859 0.251 -8.055
94 H PHE 12 H PHE 12 -2.977 0.701 -0.439
95 HA PHE 12 HA PHE 12 -0.665 2.258 -1.154
96 HB2 PHE 12 HB2 PHE 12 -2.769 2.814 0.259
97 HB3 PHE 12 HB3 PHE 12 -1.905 2.061 1.598
98 HD1 PHE 12 HD1 PHE 12 0.284 2.997 2.360
99 HD2 PHE 12 HD2 PHE 12 -2.138 4.972 -0.586
100 HE1 PHE 12 HE1 PHE 12 1.568 5.089 2.708
101 HE2 PHE 12 HE2 PHE 12 -0.852 7.065 -0.240
102 HZ PHE 12 HZ PHE 12 1.001 7.124 1.407
103 H LEU 13 H LEU 13 -1.186 -0.313 1.279
104 HA LEU 13 HA LEU 13 1.447 -0.203 2.442
105 HB2 LEU 13 HB2 LEU 13 -0.932 -1.405 2.992
106 HB3 LEU 13 HB3 LEU 13 -0.045 -2.778 2.333
107 HG LEU 13 HG LEU 13 0.211 -2.580 4.802
108 HD11 LEU 13 HD11 LEU 13 2.555 -2.978 4.844
109 HD12 LEU 13 HD12 LEU 13 2.838 -1.922 3.460
110 HD13 LEU 13 HD13 LEU 13 2.032 -3.474 3.235
111 HD21 LEU 13 HD21 LEU 13 1.336 -0.713 5.799
112 HD22 LEU 13 HD22 LEU 13 0.088 -0.032 4.756
113 HD23 LEU 13 HD23 LEU 13 1.770 -0.048 4.225
114 H LEU 14 H LEU 14 0.098 -1.942 -0.346
115 HA LEU 14 HA LEU 14 2.354 -3.695 -0.779
116 HB2 LEU 14 HB2 LEU 14 -0.129 -3.703 -1.638
117 HB3 LEU 14 HB3 LEU 14 0.510 -2.695 -2.937
118 HG LEU 14 HG LEU 14 2.373 -4.604 -3.013
119 HD11 LEU 14 HD11 LEU 14 1.240 -5.756 -1.039
120 HD12 LEU 14 HD12 LEU 14 1.535 -6.776 -2.448
121 HD13 LEU 14 HD13 LEU 14 -0.082 -6.145 -2.139
122 HD21 LEU 14 HD21 LEU 14 0.738 -3.879 -4.810
123 HD22 LEU 14 HD22 LEU 14 -0.391 -5.074 -4.170
124 HD23 LEU 14 HD23 LEU 14 1.153 -5.593 -4.846
125 H VAL 15 H VAL 15 1.638 -0.382 -1.733
126 HA VAL 15 HA VAL 15 3.995 -0.296 -3.552
127 HB VAL 15 HB VAL 15 1.666 1.532 -2.907
128 HG11 VAL 15 HG11 VAL 15 3.290 3.165 -3.265
129 HG12 VAL 15 HG12 VAL 15 2.750 2.865 -4.917
130 HG13 VAL 15 HG13 VAL 15 4.243 2.132 -4.329
131 HG21 VAL 15 HG21 VAL 15 1.020 1.102 -5.174
132 HG22 VAL 15 HG22 VAL 15 1.460 -0.463 -4.491
133 HG23 VAL 15 HG23 VAL 15 2.585 0.382 -5.556
134 H PHE 16 H PHE 16 2.716 1.442 -0.682
135 HA PHE 16 HA PHE 16 5.086 3.034 -0.259
136 HB2 PHE 16 HB2 PHE 16 2.603 3.244 0.569
137 HB3 PHE 16 HB3 PHE 16 3.153 2.234 1.906
138 HD1 PHE 16 HD1 PHE 16 3.624 5.473 0.173
139 HD2 PHE 16 HD2 PHE 16 4.676 3.077 3.579
140 HE1 PHE 16 HE1 PHE 16 4.647 7.457 1.251
141 HE2 PHE 16 HE2 PHE 16 5.700 5.060 4.658
142 HZ PHE 16 HZ PHE 16 5.685 7.251 3.494
143 H GLY 17 H GLY 17 4.249 -0.265 0.625
144 HA2 GLY 17 HA2 GLY 17 5.951 -0.628 2.876
145 HA3 GLY 17 HA3 GLY 17 5.488 -1.910 1.756
146 H GLU 18 H GLU 18 6.646 -0.993 -0.618
147 HA GLU 18 HA GLU 18 9.398 -1.771 -0.290
148 HB2 GLU 18 HB2 GLU 18 7.723 -0.560 -2.494
149 HB3 GLU 18 HB3 GLU 18 9.443 -0.870 -2.732
150 HG2 GLU 18 HG2 GLU 18 7.681 -3.051 -1.646
151 HG3 GLU 18 HG3 GLU 18 7.699 -2.727 -3.379
152 H ASN 19 H ASN 19 7.779 1.340 -0.314
153 HA ASN 19 HA ASN 19 10.219 2.925 -0.612
154 HB2 ASN 19 HB2 ASN 19 7.321 3.430 0.065
155 HB3 ASN 19 HB3 ASN 19 8.508 4.728 0.182
156 HD21 ASN 19 HD21 ASN 19 6.414 3.139 -1.989
157 HD22 ASN 19 HD22 ASN 19 7.085 3.719 -3.436
158 H GLY 20 H GLY 20 8.804 1.185 1.964
159 HA2 GLY 20 HA2 GLY 20 10.058 2.930 4.025
160 HA3 GLY 20 HA3 GLY 20 8.839 1.697 4.348
161 H VAL 21 H VAL 21 9.945 -0.478 2.905
162 HA VAL 21 HA VAL 21 11.724 -1.634 4.763
163 HB VAL 21 HB VAL 21 12.241 -3.218 2.869
164 HG11 VAL 21 HG11 VAL 21 9.491 -2.432 3.728
165 HG12 VAL 21 HG12 VAL 21 10.372 -3.932 4.016
166 HG13 VAL 21 HG13 VAL 21 9.644 -3.625 2.439
167 HG21 VAL 21 HG21 VAL 21 10.710 -2.775 0.811
168 HG22 VAL 21 HG22 VAL 21 12.243 -1.910 0.914
169 HG23 VAL 21 HG23 VAL 21 10.742 -1.095 1.345
170 H PHE 22 H PHE 22 12.531 0.100 1.771
171 HA PHE 22 HA PHE 22 15.362 -0.288 1.847
172 HB2 PHE 22 HB2 PHE 22 13.377 1.453 0.514
173 HB3 PHE 22 HB3 PHE 22 15.007 2.121 0.598
174 HD1 PHE 22 HD1 PHE 22 16.951 0.759 -0.282
175 HD2 PHE 22 HD2 PHE 22 12.855 -0.340 -0.966
176 HE1 PHE 22 HE1 PHE 22 17.659 -0.728 -2.135
177 HE2 PHE 22 HE2 PHE 22 13.564 -1.827 -2.819
178 HZ PHE 22 HZ PHE 22 15.966 -2.020 -3.404
179 H PHE 23 H PHE 23 13.283 1.969 3.560
180 HA PHE 23 HA PHE 23 15.678 3.396 4.649
181 HB2 PHE 23 HB2 PHE 23 13.375 4.330 3.526
182 HB3 PHE 23 HB3 PHE 23 12.919 4.324 5.229
183 HD1 PHE 23 HD1 PHE 23 15.398 5.611 2.779
184 HD2 PHE 23 HD2 PHE 23 13.874 5.878 6.787
185 HE1 PHE 23 HE1 PHE 23 16.711 7.683 3.141
186 HE2 PHE 23 HE2 PHE 23 15.188 7.949 7.147
187 HZ PHE 23 HZ PHE 23 16.607 8.851 5.325
188 H TYR 24 H TYR 24 14.488 0.665 5.523
189 HA TYR 24 HA TYR 24 14.444 1.296 8.436
190 HB2 TYR 24 HB2 TYR 24 12.185 0.630 6.788
191 HB3 TYR 24 HB3 TYR 24 12.465 -0.694 7.915
192 HD1 TYR 24 HD1 TYR 24 12.399 -0.319 10.349
193 HD2 TYR 24 HD2 TYR 24 11.543 2.838 7.566
194 HE1 TYR 24 HE1 TYR 24 11.400 1.022 12.178
195 HE2 TYR 24 HE2 TYR 24 10.543 4.180 9.396
196 HH TYR 24 HH TYR 24 11.017 4.050 12.238
197 H LYS 25 H LYS 25 16.534 0.073 6.870
198 HA LYS 25 HA LYS 25 16.608 -2.612 8.166
199 HB2 LYS 25 HB2 LYS 25 15.730 -2.622 5.737
200 HB3 LYS 25 HB3 LYS 25 17.375 -2.190 5.270
201 HG2 LYS 25 HG2 LYS 25 17.950 -4.361 5.390
202 HG3 LYS 25 HG3 LYS 25 17.598 -4.331 7.118
203 HD2 LYS 25 HD2 LYS 25 15.263 -4.543 5.281
204 HD3 LYS 25 HD3 LYS 25 16.301 -5.963 5.415
205 HE2 LYS 25 HE2 LYS 25 16.088 -5.447 8.026
206 HE3 LYS 25 HE3 LYS 25 14.578 -4.677 7.502
207 HZ1 LYS 25 HZ1 LYS 25 15.447 -7.436 6.802
208 HZ2 LYS 25 HZ2 LYS 25 14.012 -6.691 6.282
209 HZ3 LYS 25 HZ3 LYS 25 14.242 -7.043 7.928
Start of MODEL 27
1 HA HIS 1 HA HIS 1 -13.343 5.332 3.942
2 HB2 HIS 1 HB2 HIS 1 -14.491 7.059 5.171
3 HB3 HIS 1 HB3 HIS 1 -13.313 7.859 4.137
4 HD1 HIS 1 HD1 HIS 1 -17.019 7.271 4.503
5 HD2 HIS 1 HD2 HIS 1 -14.429 9.493 2.106
6 HE1 HIS 1 HE1 HIS 1 -18.464 8.879 3.184
7 H ALA 2 H ALA 2 -15.708 6.238 1.450
8 HA ALA 2 HA ALA 2 -17.610 4.220 2.600
9 HB1 ALA 2 HB1 ALA 2 -18.611 6.379 2.605
10 HB2 ALA 2 HB2 ALA 2 -19.251 5.603 1.157
11 HB3 ALA 2 HB3 ALA 2 -17.944 6.778 1.022
12 H TRP 3 H TRP 3 -17.522 2.341 1.449
13 HA TRP 3 HA TRP 3 -17.520 0.850 -0.370
14 HB2 TRP 3 HB2 TRP 3 -18.953 3.097 -1.139
15 HB3 TRP 3 HB3 TRP 3 -17.778 2.919 -2.441
16 HD1 TRP 3 HD1 TRP 3 -17.989 0.847 -4.024
17 HE1 TRP 3 HE1 TRP 3 -19.793 -0.972 -4.323
18 HE3 TRP 3 HE3 TRP 3 -20.754 1.642 0.196
19 HZ2 TRP 3 HZ2 TRP 3 -22.102 -1.958 -2.953
20 HZ3 TRP 3 HZ3 TRP 3 -22.748 0.250 0.673
21 HH2 TRP 3 HH2 TRP 3 -23.425 -1.548 -0.895
22 H TYR 4 H TYR 4 -16.054 0.060 -1.956
23 HA TYR 4 HA TYR 4 -13.785 -0.322 -2.540
24 HB2 TYR 4 HB2 TYR 4 -13.237 1.140 -4.425
25 HB3 TYR 4 HB3 TYR 4 -14.948 0.741 -4.448
26 HD1 TYR 4 HD1 TYR 4 -16.649 2.438 -3.920
27 HD2 TYR 4 HD2 TYR 4 -12.464 3.406 -3.939
28 HE1 TYR 4 HE1 TYR 4 -17.206 4.854 -3.962
29 HE2 TYR 4 HE2 TYR 4 -13.023 5.820 -3.989
30 HH TYR 4 HH TYR 4 -15.689 7.106 -3.115
31 H SER 5 H SER 5 -13.805 0.798 0.060
32 HA SER 5 HA SER 5 -11.472 2.684 -0.030
33 HB2 SER 5 HB2 SER 5 -13.783 2.294 1.877
34 HB3 SER 5 HB3 SER 5 -12.356 3.221 2.329
35 HG SER 5 HG SER 5 -14.126 3.686 0.149
36 H HIS 6 H HIS 6 -12.031 -0.522 0.337
37 HA HIS 6 HA HIS 6 -10.246 -0.877 2.703
38 HB2 HIS 6 HB2 HIS 6 -12.100 -2.681 1.128
39 HB3 HIS 6 HB3 HIS 6 -11.011 -3.301 2.367
40 HD1 HIS 6 HD1 HIS 6 -14.379 -2.351 2.063
41 HD2 HIS 6 HD2 HIS 6 -11.441 -1.467 4.885
42 HE1 HIS 6 HE1 HIS 6 -15.596 -1.604 4.154
43 H TYR 7 H TYR 7 -10.578 -1.855 -0.703
44 HA TYR 7 HA TYR 7 -8.134 -3.331 -0.896
45 HB2 TYR 7 HB2 TYR 7 -9.945 -1.868 -2.817
46 HB3 TYR 7 HB3 TYR 7 -8.469 -2.641 -3.394
47 HD1 TYR 7 HD1 TYR 7 -8.148 -5.100 -3.126
48 HD2 TYR 7 HD2 TYR 7 -11.851 -3.165 -2.124
49 HE1 TYR 7 HE1 TYR 7 -9.297 -7.298 -3.120
50 HE2 TYR 7 HE2 TYR 7 -12.997 -5.363 -2.118
51 HH TYR 7 HH TYR 7 -12.196 -7.856 -3.499
52 H VAL 8 H VAL 8 -8.864 0.115 -1.296
53 HA VAL 8 HA VAL 8 -6.275 0.911 -2.267
54 HB VAL 8 HB VAL 8 -8.430 2.222 -2.356
55 HG11 VAL 8 HG11 VAL 8 -7.813 2.846 0.546
56 HG12 VAL 8 HG12 VAL 8 -9.072 1.723 0.031
57 HG13 VAL 8 HG13 VAL 8 -9.183 3.429 -0.400
58 HG21 VAL 8 HG21 VAL 8 -7.363 4.404 -1.937
59 HG22 VAL 8 HG22 VAL 8 -6.234 3.304 -2.728
60 HG23 VAL 8 HG23 VAL 8 -6.098 3.612 -0.997
61 H LEU 9 H LEU 9 -7.570 0.303 0.956
62 HA LEU 9 HA LEU 9 -5.415 1.501 2.469
63 HB2 LEU 9 HB2 LEU 9 -7.699 0.931 3.314
64 HB3 LEU 9 HB3 LEU 9 -7.313 -0.780 3.139
65 HG LEU 9 HG LEU 9 -5.234 0.594 4.630
66 HD11 LEU 9 HD11 LEU 9 -8.101 0.945 5.491
67 HD12 LEU 9 HD12 LEU 9 -6.790 2.125 5.506
68 HD13 LEU 9 HD13 LEU 9 -6.815 0.820 6.692
69 HD21 LEU 9 HD21 LEU 9 -7.191 -1.628 5.304
70 HD22 LEU 9 HD22 LEU 9 -5.765 -1.214 6.257
71 HD23 LEU 9 HD23 LEU 9 -5.580 -1.837 4.618
72 H LYS 10 H LYS 10 -6.060 -1.811 1.272
73 HA LYS 10 HA LYS 10 -3.648 -2.979 2.401
74 HB2 LYS 10 HB2 LYS 10 -5.768 -3.714 0.393
75 HB3 LYS 10 HB3 LYS 10 -4.317 -4.709 0.508
76 HG2 LYS 10 HG2 LYS 10 -4.749 -4.833 3.018
77 HG3 LYS 10 HG3 LYS 10 -6.328 -4.116 2.692
78 HD2 LYS 10 HD2 LYS 10 -6.851 -5.972 1.146
79 HD3 LYS 10 HD3 LYS 10 -5.278 -6.695 1.485
80 HE2 LYS 10 HE2 LYS 10 -5.884 -6.937 3.869
81 HE3 LYS 10 HE3 LYS 10 -7.465 -6.200 3.542
82 HZ1 LYS 10 HZ1 LYS 10 -6.387 -8.662 2.263
83 HZ2 LYS 10 HZ2 LYS 10 -7.875 -7.932 1.883
84 HZ3 LYS 10 HZ3 LYS 10 -7.624 -8.607 3.422
85 H PHE 11 H PHE 11 -4.557 -1.753 -0.835
86 HA PHE 11 HA PHE 11 -2.090 -2.348 -2.167
87 HB2 PHE 11 HB2 PHE 11 -4.358 -1.696 -3.128
88 HB3 PHE 11 HB3 PHE 11 -3.987 -0.033 -2.675
89 HD1 PHE 11 HD1 PHE 11 -2.193 1.215 -3.793
90 HD2 PHE 11 HD2 PHE 11 -3.142 -2.819 -4.924
91 HE1 PHE 11 HE1 PHE 11 -0.870 1.485 -5.872
92 HE2 PHE 11 HE2 PHE 11 -1.818 -2.548 -7.003
93 HZ PHE 11 HZ PHE 11 -0.682 -0.395 -7.478
94 H PHE 12 H PHE 12 -3.210 0.601 -0.460
95 HA PHE 12 HA PHE 12 -0.941 2.251 -0.956
96 HB2 PHE 12 HB2 PHE 12 -2.986 3.143 -0.045
97 HB3 PHE 12 HB3 PHE 12 -2.930 2.035 1.326
98 HD1 PHE 12 HD1 PHE 12 -0.951 4.775 -0.301
99 HD2 PHE 12 HD2 PHE 12 -1.952 2.724 3.339
100 HE1 PHE 12 HE1 PHE 12 0.363 6.431 0.994
101 HE2 PHE 12 HE2 PHE 12 -0.639 4.382 4.634
102 HZ PHE 12 HZ PHE 12 0.519 6.236 3.461
103 H LEU 13 H LEU 13 -1.594 -0.026 1.733
104 HA LEU 13 HA LEU 13 0.798 0.418 3.221
105 HB2 LEU 13 HB2 LEU 13 -1.378 -0.897 3.743
106 HB3 LEU 13 HB3 LEU 13 -0.603 -2.244 2.911
107 HG LEU 13 HG LEU 13 1.415 -1.761 4.483
108 HD11 LEU 13 HD11 LEU 13 0.664 0.369 5.372
109 HD12 LEU 13 HD12 LEU 13 0.662 -0.810 6.683
110 HD13 LEU 13 HD13 LEU 13 -0.855 -0.347 5.913
111 HD21 LEU 13 HD21 LEU 13 -0.063 -3.759 4.605
112 HD22 LEU 13 HD22 LEU 13 -1.178 -2.851 5.628
113 HD23 LEU 13 HD23 LEU 13 0.447 -3.220 6.205
114 H LEU 14 H LEU 14 0.102 -1.848 0.544
115 HA LEU 14 HA LEU 14 2.609 -3.223 0.527
116 HB2 LEU 14 HB2 LEU 14 0.366 -3.690 -0.679
117 HB3 LEU 14 HB3 LEU 14 0.937 -2.554 -1.902
118 HG LEU 14 HG LEU 14 2.943 -4.568 -1.133
119 HD11 LEU 14 HD11 LEU 14 0.843 -5.911 -0.972
120 HD12 LEU 14 HD12 LEU 14 1.878 -6.427 -2.304
121 HD13 LEU 14 HD13 LEU 14 0.450 -5.442 -2.628
122 HD21 LEU 14 HD21 LEU 14 1.773 -3.942 -3.853
123 HD22 LEU 14 HD22 LEU 14 3.387 -4.545 -3.475
124 HD23 LEU 14 HD23 LEU 14 2.951 -2.884 -3.075
125 H VAL 15 H VAL 15 1.516 -0.332 -1.241
126 HA VAL 15 HA VAL 15 3.945 0.146 -2.701
127 HB VAL 15 HB VAL 15 1.736 1.996 -1.724
128 HG11 VAL 15 HG11 VAL 15 3.707 2.407 -3.994
129 HG12 VAL 15 HG12 VAL 15 3.831 3.189 -2.418
130 HG13 VAL 15 HG13 VAL 15 2.457 3.534 -3.468
131 HG21 VAL 15 HG21 VAL 15 1.531 -0.132 -3.446
132 HG22 VAL 15 HG22 VAL 15 1.896 1.183 -4.563
133 HG23 VAL 15 HG23 VAL 15 0.491 1.291 -3.501
134 H PHE 16 H PHE 16 2.838 1.132 0.531
135 HA PHE 16 HA PHE 16 4.915 3.020 1.129
136 HB2 PHE 16 HB2 PHE 16 2.645 2.353 2.293
137 HB3 PHE 16 HB3 PHE 16 3.652 1.199 3.169
138 HD1 PHE 16 HD1 PHE 16 5.512 1.988 4.608
139 HD2 PHE 16 HD2 PHE 16 2.820 4.729 2.686
140 HE1 PHE 16 HE1 PHE 16 6.282 3.801 6.114
141 HE2 PHE 16 HE2 PHE 16 3.590 6.542 4.192
142 HZ PHE 16 HZ PHE 16 5.321 6.078 5.907
143 H GLY 17 H GLY 17 4.694 -0.519 1.583
144 HA2 GLY 17 HA2 GLY 17 7.169 -0.832 3.005
145 HA3 GLY 17 HA3 GLY 17 6.347 -2.107 2.103
146 H GLU 18 H GLU 18 6.365 -0.954 -0.472
147 HA GLU 18 HA GLU 18 8.947 -1.662 -1.453
148 HB2 GLU 18 HB2 GLU 18 6.671 -1.518 -2.637
149 HB3 GLU 18 HB3 GLU 18 6.966 0.216 -2.764
150 HG2 GLU 18 HG2 GLU 18 8.129 -0.207 -4.649
151 HG3 GLU 18 HG3 GLU 18 9.351 -0.979 -3.639
152 H ASN 19 H ASN 19 7.541 1.482 -0.609
153 HA ASN 19 HA ASN 19 9.672 3.147 -1.557
154 HB2 ASN 19 HB2 ASN 19 7.390 3.312 0.357
155 HB3 ASN 19 HB3 ASN 19 8.646 4.541 0.515
156 HD21 ASN 19 HD21 ASN 19 6.185 3.237 -1.698
157 HD22 ASN 19 HD22 ASN 19 6.214 4.551 -2.772
158 H GLY 20 H GLY 20 9.123 1.504 1.538
159 HA2 GLY 20 HA2 GLY 20 11.490 2.588 2.823
160 HA3 GLY 20 HA3 GLY 20 10.531 1.225 3.408
161 H VAL 21 H VAL 21 10.708 -0.464 1.134
162 HA VAL 21 HA VAL 21 13.255 -1.736 1.570
163 HB VAL 21 HB VAL 21 11.041 -2.012 -0.477
164 HG11 VAL 21 HG11 VAL 21 13.615 -3.568 -0.179
165 HG12 VAL 21 HG12 VAL 21 12.912 -2.884 -1.645
166 HG13 VAL 21 HG13 VAL 21 12.175 -4.297 -0.891
167 HG21 VAL 21 HG21 VAL 21 10.721 -2.613 1.994
168 HG22 VAL 21 HG22 VAL 21 11.896 -3.901 1.730
169 HG23 VAL 21 HG23 VAL 21 10.376 -3.897 0.836
170 H PHE 22 H PHE 22 12.077 0.484 -0.922
171 HA PHE 22 HA PHE 22 14.445 0.224 -2.613
172 HB2 PHE 22 HB2 PHE 22 11.916 1.794 -2.512
173 HB3 PHE 22 HB3 PHE 22 13.240 2.491 -3.443
174 HD1 PHE 22 HD1 PHE 22 11.636 -0.869 -2.907
175 HD2 PHE 22 HD2 PHE 22 13.380 1.901 -5.689
176 HE1 PHE 22 HE1 PHE 22 11.162 -2.438 -4.767
177 HE2 PHE 22 HE2 PHE 22 12.905 0.331 -7.548
178 HZ PHE 22 HZ PHE 22 11.795 -1.837 -7.087
179 H PHE 23 H PHE 23 13.684 2.026 0.232
180 HA PHE 23 HA PHE 23 15.978 3.891 -0.265
181 HB2 PHE 23 HB2 PHE 23 13.366 4.032 1.207
182 HB3 PHE 23 HB3 PHE 23 14.707 5.020 1.783
183 HD1 PHE 23 HD1 PHE 23 12.620 4.251 -1.210
184 HD2 PHE 23 HD2 PHE 23 15.387 6.982 0.618
185 HE1 PHE 23 HE1 PHE 23 12.193 5.891 -3.017
186 HE2 PHE 23 HE2 PHE 23 14.960 8.622 -1.192
187 HZ PHE 23 HZ PHE 23 13.363 8.076 -3.008
188 H TYR 24 H TYR 24 16.617 1.279 0.496
189 HA TYR 24 HA TYR 24 17.817 1.728 3.170
190 HB2 TYR 24 HB2 TYR 24 15.397 0.392 2.852
191 HB3 TYR 24 HB3 TYR 24 16.573 -0.918 2.939
192 HD1 TYR 24 HD1 TYR 24 18.157 -1.038 4.893
193 HD2 TYR 24 HD2 TYR 24 14.849 1.699 4.775
194 HE1 TYR 24 HE1 TYR 24 18.329 -0.724 7.347
195 HE2 TYR 24 HE2 TYR 24 15.022 2.014 7.228
196 HH TYR 24 HH TYR 24 16.227 0.183 9.235
197 H LYS 25 H LYS 25 19.198 1.670 0.774
198 HA LYS 25 HA LYS 25 20.575 -0.995 0.862
199 HB2 LYS 25 HB2 LYS 25 18.996 -0.396 -1.133
200 HB3 LYS 25 HB3 LYS 25 20.300 0.683 -1.630
201 HG2 LYS 25 HG2 LYS 25 21.049 -2.111 -0.897
202 HG3 LYS 25 HG3 LYS 25 20.200 -1.877 -2.425
203 HD2 LYS 25 HD2 LYS 25 21.997 -0.907 -3.403
204 HD3 LYS 25 HD3 LYS 25 22.333 0.091 -1.988
205 HE2 LYS 25 HE2 LYS 25 22.908 -2.650 -1.321
206 HE3 LYS 25 HE3 LYS 25 23.745 -2.236 -2.829
207 HZ1 LYS 25 HZ1 LYS 25 23.750 -0.575 -0.358
208 HZ2 LYS 25 HZ2 LYS 25 24.579 -0.226 -1.802
209 HZ3 LYS 25 HZ3 LYS 25 25.029 -1.567 -0.865
Start of MODEL 28
1 HA HIS 1 HA HIS 1 -20.679 1.035 2.290
2 HB2 HIS 1 HB2 HIS 1 -20.732 2.768 0.459
3 HB3 HIS 1 HB3 HIS 1 -20.334 1.493 -0.693
4 HD1 HIS 1 HD1 HIS 1 -23.116 2.780 1.462
5 HD2 HIS 1 HD2 HIS 1 -22.444 -0.383 -1.170
6 HE1 HIS 1 HE1 HIS 1 -25.379 1.745 0.989
7 H ALA 2 H ALA 2 -19.020 -0.189 -0.670
8 HA ALA 2 HA ALA 2 -20.018 -2.930 -0.009
9 HB1 ALA 2 HB1 ALA 2 -18.804 -1.753 -2.531
10 HB2 ALA 2 HB2 ALA 2 -20.533 -1.898 -2.211
11 HB3 ALA 2 HB3 ALA 2 -19.543 -3.348 -2.389
12 H TRP 3 H TRP 3 -18.000 -2.278 1.675
13 HA TRP 3 HA TRP 3 -15.851 -2.908 2.415
14 HB2 TRP 3 HB2 TRP 3 -17.106 -5.041 1.335
15 HB3 TRP 3 HB3 TRP 3 -15.712 -4.966 0.259
16 HD1 TRP 3 HD1 TRP 3 -16.620 -5.370 3.964
17 HE1 TRP 3 HE1 TRP 3 -14.622 -6.449 5.186
18 HE3 TRP 3 HE3 TRP 3 -13.177 -5.382 0.193
19 HZ2 TRP 3 HZ2 TRP 3 -11.921 -7.215 4.637
20 HZ3 TRP 3 HZ3 TRP 3 -10.903 -6.292 0.569
21 HH2 TRP 3 HH2 TRP 3 -10.272 -7.207 2.784
22 H TYR 4 H TYR 4 -15.963 -0.811 0.358
23 HA TYR 4 HA TYR 4 -13.589 -1.397 -1.348
24 HB2 TYR 4 HB2 TYR 4 -15.993 -0.227 -1.867
25 HB3 TYR 4 HB3 TYR 4 -15.016 1.198 -1.511
26 HD1 TYR 4 HD1 TYR 4 -15.232 -1.840 -3.646
27 HD2 TYR 4 HD2 TYR 4 -13.333 1.963 -3.026
28 HE1 TYR 4 HE1 TYR 4 -14.187 -1.996 -5.889
29 HE2 TYR 4 HE2 TYR 4 -12.290 1.807 -5.268
30 HH TYR 4 HH TYR 4 -11.752 -0.647 -6.879
31 H SER 5 H SER 5 -13.606 -0.698 1.689
32 HA SER 5 HA SER 5 -11.872 1.742 1.552
33 HB2 SER 5 HB2 SER 5 -12.418 1.750 4.063
34 HB3 SER 5 HB3 SER 5 -13.762 2.077 2.975
35 HG SER 5 HG SER 5 -13.147 -0.258 4.433
36 H HIS 6 H HIS 6 -11.525 -1.520 1.506
37 HA HIS 6 HA HIS 6 -9.205 -1.578 3.394
38 HB2 HIS 6 HB2 HIS 6 -10.639 -3.877 2.028
39 HB3 HIS 6 HB3 HIS 6 -9.549 -3.974 3.409
40 HD1 HIS 6 HD1 HIS 6 -13.073 -3.209 2.470
41 HD2 HIS 6 HD2 HIS 6 -10.695 -3.029 5.890
42 HE1 HIS 6 HE1 HIS 6 -14.650 -2.873 4.423
43 H TYR 7 H TYR 7 -10.191 -2.236 0.055
44 HA TYR 7 HA TYR 7 -7.754 -3.315 -0.943
45 HB2 TYR 7 HB2 TYR 7 -9.851 -1.551 -2.255
46 HB3 TYR 7 HB3 TYR 7 -8.649 -2.492 -3.132
47 HD1 TYR 7 HD1 TYR 7 -8.529 -5.074 -2.114
48 HD2 TYR 7 HD2 TYR 7 -11.966 -2.499 -2.221
49 HE1 TYR 7 HE1 TYR 7 -10.018 -7.055 -2.023
50 HE2 TYR 7 HE2 TYR 7 -13.454 -4.479 -2.128
51 HH TYR 7 HH TYR 7 -12.768 -7.245 -1.097
52 H VAL 8 H VAL 8 -8.871 0.058 -0.741
53 HA VAL 8 HA VAL 8 -6.590 1.293 -1.934
54 HB VAL 8 HB VAL 8 -8.821 2.334 -1.469
55 HG11 VAL 8 HG11 VAL 8 -8.947 1.331 0.880
56 HG12 VAL 8 HG12 VAL 8 -9.449 3.015 0.731
57 HG13 VAL 8 HG13 VAL 8 -7.859 2.624 1.385
58 HG21 VAL 8 HG21 VAL 8 -6.484 3.781 -0.183
59 HG22 VAL 8 HG22 VAL 8 -7.948 4.535 -0.814
60 HG23 VAL 8 HG23 VAL 8 -6.822 3.738 -1.913
61 H LEU 9 H LEU 9 -7.179 0.113 1.336
62 HA LEU 9 HA LEU 9 -4.850 1.361 2.553
63 HB2 LEU 9 HB2 LEU 9 -7.099 0.301 3.506
64 HB3 LEU 9 HB3 LEU 9 -6.120 -1.166 3.561
65 HG LEU 9 HG LEU 9 -4.348 0.289 4.754
66 HD11 LEU 9 HD11 LEU 9 -6.822 2.024 5.025
67 HD12 LEU 9 HD12 LEU 9 -5.292 2.476 4.273
68 HD13 LEU 9 HD13 LEU 9 -5.373 2.206 6.013
69 HD21 LEU 9 HD21 LEU 9 -7.010 -0.364 6.058
70 HD22 LEU 9 HD22 LEU 9 -5.531 0.006 6.946
71 HD23 LEU 9 HD23 LEU 9 -5.612 -1.432 5.929
72 H LYS 10 H LYS 10 -5.545 -1.849 1.129
73 HA LYS 10 HA LYS 10 -3.021 -3.069 1.787
74 HB2 LYS 10 HB2 LYS 10 -5.300 -4.025 0.918
75 HB3 LYS 10 HB3 LYS 10 -4.646 -3.674 -0.683
76 HG2 LYS 10 HG2 LYS 10 -2.657 -5.043 -0.177
77 HG3 LYS 10 HG3 LYS 10 -3.304 -5.394 1.426
78 HD2 LYS 10 HD2 LYS 10 -5.022 -6.738 0.586
79 HD3 LYS 10 HD3 LYS 10 -4.964 -5.988 -1.009
80 HE2 LYS 10 HE2 LYS 10 -3.111 -7.240 -1.683
81 HE3 LYS 10 HE3 LYS 10 -2.555 -7.497 -0.017
82 HZ1 LYS 10 HZ1 LYS 10 -4.409 -8.925 0.405
83 HZ2 LYS 10 HZ2 LYS 10 -3.650 -9.475 -1.011
84 HZ3 LYS 10 HZ3 LYS 10 -5.096 -8.589 -1.110
85 H PHE 11 H PHE 11 -4.147 -1.221 -1.054
86 HA PHE 11 HA PHE 11 -1.815 -1.519 -2.687
87 HB2 PHE 11 HB2 PHE 11 -4.069 -0.660 -3.366
88 HB3 PHE 11 HB3 PHE 11 -3.757 0.808 -2.442
89 HD1 PHE 11 HD1 PHE 11 -2.362 -1.289 -5.212
90 HD2 PHE 11 HD2 PHE 11 -2.602 2.608 -3.422
91 HE1 PHE 11 HE1 PHE 11 -1.151 -0.325 -7.148
92 HE2 PHE 11 HE2 PHE 11 -1.392 3.574 -5.360
93 HZ PHE 11 HZ PHE 11 -0.666 2.107 -7.223
94 H PHE 12 H PHE 12 -2.696 0.950 -0.249
95 HA PHE 12 HA PHE 12 -0.431 2.657 -0.523
96 HB2 PHE 12 HB2 PHE 12 -2.581 2.071 1.401
97 HB3 PHE 12 HB3 PHE 12 -1.114 2.675 2.170
98 HD1 PHE 12 HD1 PHE 12 -3.553 3.392 -0.569
99 HD2 PHE 12 HD2 PHE 12 -0.535 4.964 2.054
100 HE1 PHE 12 HE1 PHE 12 -4.108 5.693 -1.308
101 HE2 PHE 12 HE2 PHE 12 -1.090 7.264 1.313
102 HZ PHE 12 HZ PHE 12 -2.875 7.628 -0.368
103 H LEU 13 H LEU 13 -0.918 -0.277 1.452
104 HA LEU 13 HA LEU 13 1.687 -0.195 2.727
105 HB2 LEU 13 HB2 LEU 13 -0.561 -1.395 3.335
106 HB3 LEU 13 HB3 LEU 13 0.019 -2.665 2.256
107 HG LEU 13 HG LEU 13 1.998 -1.671 4.228
108 HD11 LEU 13 HD11 LEU 13 -0.042 -1.686 5.605
109 HD12 LEU 13 HD12 LEU 13 1.017 -3.022 6.057
110 HD13 LEU 13 HD13 LEU 13 -0.407 -3.323 5.062
111 HD21 LEU 13 HD21 LEU 13 2.789 -3.853 4.078
112 HD22 LEU 13 HD22 LEU 13 2.014 -3.692 2.502
113 HD23 LEU 13 HD23 LEU 13 1.181 -4.527 3.813
114 H LEU 14 H LEU 14 0.399 -1.739 -0.216
115 HA LEU 14 HA LEU 14 2.822 -3.273 -0.743
116 HB2 LEU 14 HB2 LEU 14 0.287 -3.569 -1.463
117 HB3 LEU 14 HB3 LEU 14 0.782 -2.563 -2.825
118 HG LEU 14 HG LEU 14 2.789 -4.233 -3.004
119 HD11 LEU 14 HD11 LEU 14 0.738 -5.945 -1.569
120 HD12 LEU 14 HD12 LEU 14 2.239 -5.368 -0.844
121 HD13 LEU 14 HD13 LEU 14 2.291 -6.482 -2.210
122 HD21 LEU 14 HD21 LEU 14 -0.045 -5.047 -3.729
123 HD22 LEU 14 HD22 LEU 14 1.422 -5.701 -4.459
124 HD23 LEU 14 HD23 LEU 14 1.004 -4.003 -4.688
125 H VAL 15 H VAL 15 1.843 -0.010 -1.349
126 HA VAL 15 HA VAL 15 3.975 0.319 -3.424
127 HB VAL 15 HB VAL 15 1.542 1.938 -2.599
128 HG11 VAL 15 HG11 VAL 15 3.876 2.653 -4.369
129 HG12 VAL 15 HG12 VAL 15 3.075 3.639 -3.145
130 HG13 VAL 15 HG13 VAL 15 2.275 3.323 -4.686
131 HG21 VAL 15 HG21 VAL 15 2.121 1.033 -5.388
132 HG22 VAL 15 HG22 VAL 15 0.575 1.180 -4.555
133 HG23 VAL 15 HG23 VAL 15 1.626 -0.195 -4.223
134 H PHE 16 H PHE 16 2.604 2.299 -0.755
135 HA PHE 16 HA PHE 16 5.074 3.737 -0.298
136 HB2 PHE 16 HB2 PHE 16 2.592 4.327 0.218
137 HB3 PHE 16 HB3 PHE 16 2.819 3.367 1.680
138 HD1 PHE 16 HD1 PHE 16 3.850 6.416 -0.130
139 HD2 PHE 16 HD2 PHE 16 4.292 4.108 3.467
140 HE1 PHE 16 HE1 PHE 16 4.962 8.341 0.969
141 HE2 PHE 16 HE2 PHE 16 5.401 6.035 4.566
142 HZ PHE 16 HZ PHE 16 5.737 8.151 3.316
143 H GLY 17 H GLY 17 3.570 0.857 1.184
144 HA2 GLY 17 HA2 GLY 17 5.426 0.650 3.383
145 HA3 GLY 17 HA3 GLY 17 4.411 -0.658 2.774
146 H GLU 18 H GLU 18 5.306 -0.899 0.155
147 HA GLU 18 HA GLU 18 7.708 -2.432 0.450
148 HB2 GLU 18 HB2 GLU 18 6.123 -1.328 -1.869
149 HB3 GLU 18 HB3 GLU 18 7.585 -2.282 -2.134
150 HG2 GLU 18 HG2 GLU 18 5.293 -3.241 -0.401
151 HG3 GLU 18 HG3 GLU 18 5.411 -3.609 -2.123
152 H ASN 19 H ASN 19 7.165 0.942 -0.381
153 HA ASN 19 HA ASN 19 9.743 1.505 -1.519
154 HB2 ASN 19 HB2 ASN 19 7.401 2.951 -0.446
155 HB3 ASN 19 HB3 ASN 19 8.918 3.844 -0.341
156 HD21 ASN 19 HD21 ASN 19 6.776 2.152 -2.667
157 HD22 ASN 19 HD22 ASN 19 7.351 2.978 -4.033
158 H GLY 20 H GLY 20 8.657 1.072 1.774
159 HA2 GLY 20 HA2 GLY 20 11.304 2.022 2.785
160 HA3 GLY 20 HA3 GLY 20 9.841 1.939 3.762
161 H VAL 21 H VAL 21 9.084 -0.743 2.702
162 HA VAL 21 HA VAL 21 10.813 -2.329 4.504
163 HB VAL 21 HB VAL 21 8.290 -2.975 2.944
164 HG11 VAL 21 HG11 VAL 21 9.839 -4.486 5.061
165 HG12 VAL 21 HG12 VAL 21 9.374 -5.044 3.454
166 HG13 VAL 21 HG13 VAL 21 8.146 -4.828 4.701
167 HG21 VAL 21 HG21 VAL 21 8.669 -2.330 5.887
168 HG22 VAL 21 HG22 VAL 21 7.138 -2.625 5.064
169 HG23 VAL 21 HG23 VAL 21 8.076 -1.180 4.689
170 H PHE 22 H PHE 22 10.243 -1.984 1.049
171 HA PHE 22 HA PHE 22 11.933 -4.395 0.515
172 HB2 PHE 22 HB2 PHE 22 9.514 -3.487 -0.511
173 HB3 PHE 22 HB3 PHE 22 10.677 -3.038 -1.759
174 HD1 PHE 22 HD1 PHE 22 9.620 -5.908 0.398
175 HD2 PHE 22 HD2 PHE 22 11.506 -4.656 -3.253
176 HE1 PHE 22 HE1 PHE 22 9.720 -8.267 -0.360
177 HE2 PHE 22 HE2 PHE 22 11.606 -7.015 -4.011
178 HZ PHE 22 HZ PHE 22 10.714 -8.821 -2.564
179 H PHE 23 H PHE 23 12.823 -1.490 1.251
180 HA PHE 23 HA PHE 23 14.890 -1.318 -0.884
181 HB2 PHE 23 HB2 PHE 23 12.576 0.334 -0.682
182 HB3 PHE 23 HB3 PHE 23 13.960 1.326 -0.223
183 HD1 PHE 23 HD1 PHE 23 12.413 -0.650 -2.920
184 HD2 PHE 23 HD2 PHE 23 15.772 1.782 -1.798
185 HE1 PHE 23 HE1 PHE 23 13.071 -0.459 -5.303
186 HE2 PHE 23 HE2 PHE 23 16.430 1.971 -4.181
187 HZ PHE 23 HZ PHE 23 15.080 0.851 -5.933
188 H TYR 24 H TYR 24 14.978 -2.142 1.940
189 HA TYR 24 HA TYR 24 17.140 -0.370 2.850
190 HB2 TYR 24 HB2 TYR 24 15.218 0.854 3.646
191 HB3 TYR 24 HB3 TYR 24 14.465 -0.620 4.252
192 HD1 TYR 24 HD1 TYR 24 17.743 1.195 4.600
193 HD2 TYR 24 HD2 TYR 24 14.591 -0.983 6.541
194 HE1 TYR 24 HE1 TYR 24 18.870 1.512 6.786
195 HE2 TYR 24 HE2 TYR 24 15.717 -0.666 8.725
196 HH TYR 24 HH TYR 24 18.486 -0.182 9.310
197 H LYS 25 H LYS 25 14.881 -2.770 4.244
198 HA LYS 25 HA LYS 25 17.039 -4.757 4.533
199 HB2 LYS 25 HB2 LYS 25 16.586 -2.834 6.526
200 HB3 LYS 25 HB3 LYS 25 15.787 -4.287 7.126
201 HG2 LYS 25 HG2 LYS 25 18.605 -4.330 6.022
202 HG3 LYS 25 HG3 LYS 25 18.263 -4.038 7.728
203 HD2 LYS 25 HD2 LYS 25 16.748 -6.234 7.376
204 HD3 LYS 25 HD3 LYS 25 17.964 -6.539 6.136
205 HE2 LYS 25 HE2 LYS 25 18.975 -7.520 8.010
206 HE3 LYS 25 HE3 LYS 25 19.650 -5.881 8.090
207 HZ1 LYS 25 HZ1 LYS 25 17.781 -5.234 9.508
208 HZ2 LYS 25 HZ2 LYS 25 18.683 -6.488 10.216
209 HZ3 LYS 25 HZ3 LYS 25 17.192 -6.825 9.477
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