Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
636152 | 6go0 RC | 34279 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 HT1 LYS 1 20.131 -4.783 0.643
2 H2 LYS 1 HT2 LYS 1 19.745 -5.167 -0.939
3 H3 LYS 1 HT3 LYS 1 21.311 -5.351 -0.420
4 HA LYS 1 HA LYS 1 20.205 -7.392 -0.698
5 HB2 LYS 1 HB2 LYS 1 20.524 -8.393 1.603
6 HB3 LYS 1 HB3 LYS 1 21.906 -7.549 0.954
7 HG2 LYS 1 HG2 LYS 1 20.022 -6.216 2.887
8 HG3 LYS 1 HG3 LYS 1 21.323 -7.255 3.448
9 HD2 LYS 1 HD2 LYS 1 21.674 -4.778 1.750
10 HD3 LYS 1 HD3 LYS 1 21.938 -4.871 3.491
11 HE2 LYS 1 HE2 LYS 1 23.460 -6.394 1.362
12 HE3 LYS 1 HE3 LYS 1 24.038 -5.016 2.277
13 HZ1 LYS 1 HZ1 LYS 1 23.981 -6.284 4.279
14 HZ2 LYS 1 HZ2 LYS 1 24.837 -7.182 3.144
15 HZ3 LYS 1 HZ3 LYS 1 23.258 -7.588 3.527
16 H LYS 2 H LYS 2 18.491 -5.611 1.944
17 HA LYS 2 HA LYS 2 16.186 -7.189 1.142
18 HB2 LYS 2 HB2 LYS 2 17.159 -8.172 3.175
19 HB3 LYS 2 HB3 LYS 2 17.019 -6.611 3.968
20 HG2 LYS 2 HG2 LYS 2 15.216 -7.963 4.726
21 HG3 LYS 2 HG3 LYS 2 14.564 -6.731 3.651
22 HD2 LYS 2 HD2 LYS 2 13.508 -8.866 3.187
23 HD3 LYS 2 HD3 LYS 2 14.494 -8.368 1.817
24 HE2 LYS 2 HE2 LYS 2 14.772 -10.751 2.270
25 HE3 LYS 2 HE3 LYS 2 16.281 -9.894 2.550
26 HZ1 LYS 2 HZ1 LYS 2 15.818 -11.514 4.272
27 HZ2 LYS 2 HZ2 LYS 2 14.377 -10.759 4.680
28 HZ3 LYS 2 HZ3 LYS 2 15.841 -9.986 4.943
29 H LYS 3 H LYS 3 15.470 -5.438 -0.005
30 HA LYS 3 HA LYS 3 13.474 -4.023 1.199
31 HB2 LYS 3 HB2 LYS 3 15.278 -2.533 2.124
32 HB3 LYS 3 HB3 LYS 3 15.786 -2.178 0.472
33 HG2 LYS 3 HG2 LYS 3 13.742 -1.034 0.008
34 HG3 LYS 3 HG3 LYS 3 13.021 -1.615 1.507
35 HD2 LYS 3 HD2 LYS 3 13.626 0.710 1.775
36 HD3 LYS 3 HD3 LYS 3 14.682 -0.280 2.773
37 HE2 LYS 3 HE2 LYS 3 15.948 1.478 1.684
38 HE3 LYS 3 HE3 LYS 3 16.444 -0.089 1.063
39 HZ1 LYS 3 HZ1 LYS 3 16.163 1.558 -0.685
40 HZ2 LYS 3 HZ2 LYS 3 14.533 1.744 -0.323
41 HZ3 LYS 3 HZ3 LYS 3 15.148 0.250 -0.875
42 H LYS 4 H LYS 4 12.074 -3.695 -0.284
43 HA LYS 4 HA LYS 4 12.993 -3.518 -3.057
44 HB2 LYS 4 HB2 LYS 4 10.828 -4.569 -3.701
45 HB3 LYS 4 HB3 LYS 4 11.855 -5.615 -2.738
46 HG2 LYS 4 HG2 LYS 4 10.516 -5.236 -0.794
47 HG3 LYS 4 HG3 LYS 4 9.529 -4.040 -1.627
48 HD2 LYS 4 HD2 LYS 4 8.368 -6.161 -1.495
49 HD3 LYS 4 HD3 LYS 4 8.762 -5.794 -3.181
50 HE2 LYS 4 HE2 LYS 4 9.170 -8.143 -2.673
51 HE3 LYS 4 HE3 LYS 4 10.678 -7.317 -3.054
52 HZ1 LYS 4 HZ1 LYS 4 10.904 -8.774 -1.173
53 HZ2 LYS 4 HZ2 LYS 4 9.701 -7.999 -0.318
54 HZ3 LYS 4 HZ3 LYS 4 11.148 -7.202 -0.667
55 H GLN 5 H GLN 5 10.831 -2.339 -0.613
56 HA GLN 5 HA GLN 5 10.219 -0.024 -2.280
57 HB2 GLN 5 HB2 GLN 5 8.309 -1.549 -0.485
58 HB3 GLN 5 HB3 GLN 5 7.945 0.008 -1.213
59 HG2 GLN 5 HG2 GLN 5 8.030 -0.934 -3.408
60 HG3 GLN 5 HG3 GLN 5 8.575 -2.486 -2.774
61 HE21 GLN 5 HE21 GLN 5 5.889 -0.338 -3.230
62 HE22 GLN 5 HE22 GLN 5 4.643 -1.456 -2.820
63 H SER 6 H SER 6 11.041 1.693 -1.319
64 HA SER 6 HA SER 6 11.851 1.702 1.419
65 HB2 SER 6 HB2 SER 6 11.561 3.986 -0.535
66 HB3 SER 6 HB3 SER 6 12.521 3.995 0.947
67 HG SER 6 HG SER 6 13.047 3.030 -1.518
68 H TRP 7 H TRP 7 11.123 3.698 2.777
69 HA TRP 7 HA TRP 7 8.587 3.174 3.694
70 HB2 TRP 7 HB2 TRP 7 8.754 5.251 5.039
71 HB3 TRP 7 HB3 TRP 7 10.225 4.301 5.106
72 HD1 TRP 7 HD1 TRP 7 12.419 5.359 3.920
73 HE1 TRP 7 HE1 TRP 7 12.991 7.768 3.242
74 HE3 TRP 7 HE3 TRP 7 7.759 7.414 4.149
75 HZ2 TRP 7 HZ2 TRP 7 11.676 10.206 2.860
76 HZ3 TRP 7 HZ3 TRP 7 7.495 9.801 3.597
77 HH2 TRP 7 HH2 TRP 7 9.415 11.168 2.969
78 H TYR 8 H TYR 8 9.481 5.622 1.388
79 HA TYR 8 HA TYR 8 6.853 6.782 1.291
80 HB2 TYR 8 HB2 TYR 8 7.767 8.061 -0.686
81 HB3 TYR 8 HB3 TYR 8 8.648 8.277 0.821
82 HD1 TYR 8 HD1 TYR 8 8.769 6.729 -2.530
83 HD2 TYR 8 HD2 TYR 8 10.893 7.538 1.051
84 HE1 TYR 8 HE1 TYR 8 10.862 6.054 -3.630
85 HE2 TYR 8 HE2 TYR 8 12.996 6.870 -0.035
86 HH TYR 8 HH TYR 8 13.183 6.397 -3.408
87 H ALA 9 H ALA 9 8.495 4.348 -0.340
88 HA ALA 9 HA ALA 9 6.810 4.246 -2.655
89 HB1 ALA 9 HB1 ALA 9 8.003 2.138 -3.141
90 HB2 ALA 9 HB2 ALA 9 8.755 2.211 -1.548
91 HB3 ALA 9 HB3 ALA 9 9.121 3.445 -2.750
92 H ALA 10 H ALA 10 7.145 2.401 0.375
93 HA ALA 10 HA ALA 10 5.019 0.688 -0.139
94 HB1 ALA 10 HB1 ALA 10 5.236 0.117 2.232
95 HB2 ALA 10 HB2 ALA 10 6.317 1.493 2.462
96 HB3 ALA 10 HB3 ALA 10 6.812 0.144 1.438
97 H ALA 11 H ALA 11 5.351 3.640 1.815
98 HA ALA 11 HA ALA 11 2.719 3.687 2.714
99 HB1 ALA 11 HB1 ALA 11 4.469 5.088 3.648
100 HB2 ALA 11 HB2 ALA 11 3.040 6.036 3.217
101 HB3 ALA 11 HB3 ALA 11 4.477 6.073 2.186
102 H GLY 12 H GLY 12 4.013 4.889 -0.315
103 HA2 GLY 12 HA2 GLY 12 1.534 6.075 -1.083
104 HA3 GLY 12 HA3 GLY 12 2.869 5.688 -2.177
105 H ASP 13 H ASP 13 3.132 3.083 -1.986
106 HA ASP 13 HA ASP 13 1.064 2.161 -3.671
107 HB2 ASP 13 HB2 ASP 13 3.349 1.437 -3.966
108 HB3 ASP 13 HB3 ASP 13 3.374 0.738 -2.365
109 H ALA 14 H ALA 14 1.891 1.349 -0.459
110 HA ALA 14 HA ALA 14 0.060 -0.752 -0.055
111 HB1 ALA 14 HB1 ALA 14 2.020 -0.387 1.359
112 HB2 ALA 14 HB2 ALA 14 0.567 -0.408 2.378
113 HB3 ALA 14 HB3 ALA 14 1.347 1.114 1.911
114 H ILE 15 H ILE 15 -0.147 2.693 0.654
115 HA ILE 15 HA ILE 15 -2.718 2.428 1.916
116 HB ILE 15 HB ILE 15 -1.242 4.931 1.081
117 HG12 ILE 15 HG12 ILE 15 -1.581 3.682 3.815
118 HG13 ILE 15 HG13 ILE 15 -0.136 3.545 2.821
119 HG21 ILE 15 HG21 ILE 15 -3.649 5.364 1.229
120 HG22 ILE 15 HG22 ILE 15 -2.794 6.145 2.559
121 HG23 ILE 15 HG23 ILE 15 -3.682 4.645 2.841
122 HD11 ILE 15 HD11 ILE 15 0.124 5.260 4.507
123 HD12 ILE 15 HD12 ILE 15 -1.303 6.101 3.851
124 HD13 ILE 15 HD13 ILE 15 0.147 5.910 2.859
125 H VAL 16 H VAL 16 -1.629 3.582 -1.151
126 HA VAL 16 HA VAL 16 -4.214 4.240 -2.057
127 HB VAL 16 HB VAL 16 -1.790 3.493 -3.737
128 HG11 VAL 16 HG11 VAL 16 -4.409 4.703 -4.652
129 HG12 VAL 16 HG12 VAL 16 -3.842 3.065 -5.008
130 HG13 VAL 16 HG13 VAL 16 -2.973 4.459 -5.651
131 HG21 VAL 16 HG21 VAL 16 -3.049 6.161 -3.100
132 HG22 VAL 16 HG22 VAL 16 -1.668 5.913 -4.168
133 HG23 VAL 16 HG23 VAL 16 -1.532 5.544 -2.448
134 H SER 17 H SER 17 -2.456 1.266 -2.191
135 HA SER 17 HA SER 17 -4.460 -0.077 -3.704
136 HB2 SER 17 HB2 SER 17 -1.980 -0.761 -3.457
137 HB3 SER 17 HB3 SER 17 -2.485 -1.532 -1.955
138 HG SER 17 HG SER 17 -3.804 -1.934 -4.381
139 H PHE 18 H PHE 18 -3.885 0.465 -0.339
140 HA PHE 18 HA PHE 18 -5.618 -1.310 0.898
141 HB2 PHE 18 HB2 PHE 18 -3.952 0.410 1.868
142 HB3 PHE 18 HB3 PHE 18 -5.225 1.582 1.639
143 HD1 PHE 18 HD1 PHE 18 -7.609 0.528 2.681
144 HD2 PHE 18 HD2 PHE 18 -3.651 -0.162 4.004
145 HE1 PHE 18 HE1 PHE 18 -8.481 0.043 4.936
146 HE2 PHE 18 HE2 PHE 18 -4.492 -0.673 6.275
147 HZ PHE 18 HZ PHE 18 -6.910 -0.578 6.740
148 H GLY 19 H GLY 19 -6.095 1.907 -0.483
149 HA2 GLY 19 HA2 GLY 19 -8.847 2.194 0.092
150 HA3 GLY 19 HA3 GLY 19 -7.973 3.075 -1.150
151 H GLU 20 H GLU 20 -7.121 0.845 -2.677
152 HA GLU 20 HA GLU 20 -9.326 0.449 -4.377
153 HB2 GLU 20 HB2 GLU 20 -6.880 -1.301 -4.115
154 HB3 GLU 20 HB3 GLU 20 -7.938 -1.224 -5.503
155 HG2 GLU 20 HG2 GLU 20 -7.212 1.071 -5.885
156 HG3 GLU 20 HG3 GLU 20 -6.122 0.943 -4.506
157 H GLY 21 H GLY 21 -7.775 -1.510 -2.049
158 HA2 GLY 21 HA2 GLY 21 -9.292 -3.872 -2.186
159 HA3 GLY 21 HA3 GLY 21 -8.406 -3.298 -0.771
160 H PHE 22 H PHE 22 -9.635 -1.058 -0.199
161 HA PHE 22 HA PHE 22 -11.827 -1.788 1.362
162 HB2 PHE 22 HB2 PHE 22 -10.508 0.107 1.963
163 HB3 PHE 22 HB3 PHE 22 -10.816 0.882 0.421
164 HD1 PHE 22 HD1 PHE 22 -12.547 -0.275 3.487
165 HD2 PHE 22 HD2 PHE 22 -12.445 2.453 0.257
166 HE1 PHE 22 HE1 PHE 22 -14.379 1.029 4.535
167 HE2 PHE 22 HE2 PHE 22 -14.264 3.751 1.246
168 HZ PHE 22 HZ PHE 22 -15.249 3.037 3.413
169 H LEU 23 H LEU 23 -11.732 -0.520 -1.901
170 HA LEU 23 HA LEU 23 -14.477 0.224 -2.007
171 HB2 LEU 23 HB2 LEU 23 -12.581 -0.276 -4.286
172 HB3 LEU 23 HB3 LEU 23 -14.142 0.500 -4.425
173 HG LEU 23 HG LEU 23 -11.672 1.557 -3.078
174 HD11 LEU 23 HD11 LEU 23 -11.958 3.397 -4.641
175 HD12 LEU 23 HD12 LEU 23 -13.295 2.547 -5.395
176 HD13 LEU 23 HD13 LEU 23 -11.665 1.858 -5.448
177 HD21 LEU 23 HD21 LEU 23 -13.564 2.107 -1.678
178 HD22 LEU 23 HD22 LEU 23 -14.428 2.779 -3.070
179 HD23 LEU 23 HD23 LEU 23 -12.932 3.535 -2.497
180 H ASN 24 H ASN 24 -13.100 -2.783 -1.984
181 HA ASN 24 HA ASN 24 -14.607 -4.209 -3.892
182 HB2 ASN 24 HB2 ASN 24 -13.919 -6.210 -2.848
183 HB3 ASN 24 HB3 ASN 24 -12.612 -5.077 -2.592
184 HD21 ASN 24 HD21 ASN 24 -13.885 -3.675 -0.244
185 HD22 ASN 24 HD22 ASN 24 -13.809 -4.840 1.008
186 H ALA 25 H ALA 25 -15.718 -2.698 -1.103
187 HA ALA 25 HA ALA 25 -18.070 -4.440 -0.951
188 HB1 ALA 25 HB1 ALA 25 -16.764 -4.336 1.103
189 HB2 ALA 25 HB2 ALA 25 -18.361 -3.613 1.329
190 HB3 ALA 25 HB3 ALA 25 -16.935 -2.580 1.140
191 H TRP 26 H TRP 26 -17.201 -1.915 -2.583
192 HA TRP 26 HA TRP 26 -19.678 -0.448 -2.124
193 HB2 TRP 26 HB2 TRP 26 -16.981 0.656 -2.996
194 HB3 TRP 26 HB3 TRP 26 -18.491 1.557 -3.038
195 HD1 TRP 26 HD1 TRP 26 -16.016 0.023 -0.508
196 HE1 TRP 26 HE1 TRP 26 -16.278 1.252 1.729
197 HE3 TRP 26 HE3 TRP 26 -20.030 2.965 -1.670
198 HZ2 TRP 26 HZ2 TRP 26 -17.965 3.229 2.863
199 HZ3 TRP 26 HZ3 TRP 26 -20.900 4.499 0.042
200 HH2 TRP 26 HH2 TRP 26 -19.885 4.626 2.263
Start of MODEL 2
1 H1 LYS 1 HT1 LYS 1 13.132 10.701 -3.389
2 H2 LYS 1 HT2 LYS 1 14.684 10.066 -3.357
3 H3 LYS 1 HT3 LYS 1 14.474 11.724 -3.488
4 HA LYS 1 HA LYS 1 15.187 11.085 -1.334
5 HB2 LYS 1 HB2 LYS 1 13.378 12.130 0.009
6 HB3 LYS 1 HB3 LYS 1 13.778 13.032 -1.443
7 HG2 LYS 1 HG2 LYS 1 11.782 12.099 -2.550
8 HG3 LYS 1 HG3 LYS 1 11.389 11.229 -1.075
9 HD2 LYS 1 HD2 LYS 1 10.079 13.301 -1.295
10 HD3 LYS 1 HD3 LYS 1 11.134 13.336 0.119
11 HE2 LYS 1 HE2 LYS 1 12.673 14.787 -0.957
12 HE3 LYS 1 HE3 LYS 1 11.909 14.547 -2.523
13 HZ1 LYS 1 HZ1 LYS 1 11.329 16.681 -1.544
14 HZ2 LYS 1 HZ2 LYS 1 10.658 15.907 -0.199
15 HZ3 LYS 1 HZ3 LYS 1 9.980 15.692 -1.707
16 H LYS 2 H LYS 2 12.185 9.395 -2.242
17 HA LYS 2 HA LYS 2 12.349 7.804 0.168
18 HB2 LYS 2 HB2 LYS 2 10.161 8.671 -0.706
19 HB3 LYS 2 HB3 LYS 2 10.377 7.643 -2.109
20 HG2 LYS 2 HG2 LYS 2 10.485 5.689 -0.566
21 HG3 LYS 2 HG3 LYS 2 10.005 6.764 0.739
22 HD2 LYS 2 HD2 LYS 2 8.444 6.215 -1.783
23 HD3 LYS 2 HD3 LYS 2 8.085 5.571 -0.176
24 HE2 LYS 2 HE2 LYS 2 7.624 7.805 0.646
25 HE3 LYS 2 HE3 LYS 2 8.090 8.506 -0.899
26 HZ1 LYS 2 HZ1 LYS 2 5.678 8.317 -0.668
27 HZ2 LYS 2 HZ2 LYS 2 5.795 6.641 -0.531
28 HZ3 LYS 2 HZ3 LYS 2 6.242 7.404 -1.948
29 H LYS 3 H LYS 3 13.948 6.401 0.031
30 HA LYS 3 HA LYS 3 13.755 4.369 -2.071
31 HB2 LYS 3 HB2 LYS 3 16.186 4.203 -2.204
32 HB3 LYS 3 HB3 LYS 3 15.679 5.840 -2.575
33 HG2 LYS 3 HG2 LYS 3 16.356 6.543 -0.301
34 HG3 LYS 3 HG3 LYS 3 16.895 4.894 0.025
35 HD2 LYS 3 HD2 LYS 3 18.427 5.089 -1.962
36 HD3 LYS 3 HD3 LYS 3 17.978 6.788 -2.071
37 HE2 LYS 3 HE2 LYS 3 20.078 6.565 -0.901
38 HE3 LYS 3 HE3 LYS 3 18.851 7.145 0.214
39 HZ1 LYS 3 HZ1 LYS 3 18.630 4.836 1.036
40 HZ2 LYS 3 HZ2 LYS 3 20.165 5.431 1.263
41 HZ3 LYS 3 HZ3 LYS 3 19.880 4.343 0.032
42 H LYS 4 H LYS 4 12.657 4.508 0.533
43 HA LYS 4 HA LYS 4 14.387 2.730 2.113
44 HB2 LYS 4 HB2 LYS 4 13.162 3.368 4.082
45 HB3 LYS 4 HB3 LYS 4 13.771 4.801 3.277
46 HG2 LYS 4 HG2 LYS 4 11.581 5.286 2.397
47 HG3 LYS 4 HG3 LYS 4 10.946 3.780 3.064
48 HD2 LYS 4 HD2 LYS 4 12.019 6.133 4.631
49 HD3 LYS 4 HD3 LYS 4 10.329 5.668 4.479
50 HE2 LYS 4 HE2 LYS 4 10.884 3.483 5.572
51 HE3 LYS 4 HE3 LYS 4 12.521 4.065 5.830
52 HZ1 LYS 4 HZ1 LYS 4 10.053 5.233 6.984
53 HZ2 LYS 4 HZ2 LYS 4 11.620 5.852 7.194
54 HZ3 LYS 4 HZ3 LYS 4 11.237 4.337 7.775
55 H GLN 5 H GLN 5 11.706 2.540 0.140
56 HA GLN 5 HA GLN 5 10.752 0.267 1.717
57 HB2 GLN 5 HB2 GLN 5 9.192 1.731 -0.431
58 HB3 GLN 5 HB3 GLN 5 8.605 0.418 0.576
59 HG2 GLN 5 HG2 GLN 5 8.893 1.808 2.557
60 HG3 GLN 5 HG3 GLN 5 9.439 3.139 1.550
61 HE21 GLN 5 HE21 GLN 5 6.735 0.952 0.829
62 HE22 GLN 5 HE22 GLN 5 5.507 2.156 0.980
63 H SER 6 H SER 6 11.918 -1.355 1.100
64 HA SER 6 HA SER 6 12.687 -1.915 -1.570
65 HB2 SER 6 HB2 SER 6 12.435 -3.745 0.815
66 HB3 SER 6 HB3 SER 6 13.413 -4.035 -0.627
67 HG SER 6 HG SER 6 13.919 -2.502 1.578
68 H TRP 7 H TRP 7 11.985 -4.198 -2.481
69 HA TRP 7 HA TRP 7 9.392 -3.986 -3.377
70 HB2 TRP 7 HB2 TRP 7 9.599 -6.349 -4.189
71 HB3 TRP 7 HB3 TRP 7 10.964 -5.344 -4.615
72 HD1 TRP 7 HD1 TRP 7 13.289 -5.895 -3.458
73 HE1 TRP 7 HE1 TRP 7 14.178 -7.957 -2.274
74 HE3 TRP 7 HE3 TRP 7 8.857 -8.282 -2.685
75 HZ2 TRP 7 HZ2 TRP 7 13.102 -10.366 -1.136
76 HZ3 TRP 7 HZ3 TRP 7 8.848 -10.442 -1.549
77 HH2 TRP 7 HH2 TRP 7 10.960 -11.476 -0.790
78 H TYR 8 H TYR 8 10.493 -5.797 -0.623
79 HA TYR 8 HA TYR 8 7.918 -6.935 -0.111
80 HB2 TYR 8 HB2 TYR 8 8.917 -7.646 2.100
81 HB3 TYR 8 HB3 TYR 8 9.758 -8.227 0.672
82 HD1 TYR 8 HD1 TYR 8 11.989 -7.487 0.172
83 HD2 TYR 8 HD2 TYR 8 9.938 -5.936 3.547
84 HE1 TYR 8 HE1 TYR 8 14.101 -6.568 1.022
85 HE2 TYR 8 HE2 TYR 8 12.028 -5.006 4.405
86 HH TYR 8 HH TYR 8 14.460 -5.560 4.147
87 H ALA 9 H ALA 9 9.587 -4.202 0.951
88 HA ALA 9 HA ALA 9 7.851 -3.482 3.107
89 HB1 ALA 9 HB1 ALA 9 8.949 -1.244 2.965
90 HB2 ALA 9 HB2 ALA 9 9.719 -1.754 1.475
91 HB3 ALA 9 HB3 ALA 9 10.114 -2.573 2.990
92 H ALA 10 H ALA 10 8.171 -2.570 -0.265
93 HA ALA 10 HA ALA 10 6.004 -0.809 -0.359
94 HB1 ALA 10 HB1 ALA 10 7.315 -2.392 -2.560
95 HB2 ALA 10 HB2 ALA 10 7.779 -0.769 -2.040
96 HB3 ALA 10 HB3 ALA 10 6.204 -1.045 -2.787
97 H ALA 11 H ALA 11 6.359 -4.256 -1.168
98 HA ALA 11 HA ALA 11 3.839 -4.679 -2.218
99 HB1 ALA 11 HB1 ALA 11 5.651 -6.300 -2.277
100 HB2 ALA 11 HB2 ALA 11 4.110 -6.986 -1.746
101 HB3 ALA 11 HB3 ALA 11 5.387 -6.648 -0.564
102 H GLY 12 H GLY 12 4.758 -4.673 1.161
103 HA2 GLY 12 HA2 GLY 12 2.158 -5.482 2.010
104 HA3 GLY 12 HA3 GLY 12 3.383 -4.750 3.043
105 H ASP 13 H ASP 13 3.829 -2.397 1.987
106 HA ASP 13 HA ASP 13 1.718 -0.867 3.049
107 HB2 ASP 13 HB2 ASP 13 4.044 -0.239 3.260
108 HB3 ASP 13 HB3 ASP 13 4.197 -0.113 1.520
109 H ALA 14 H ALA 14 2.879 -1.220 -0.150
110 HA ALA 14 HA ALA 14 1.233 0.651 -1.464
111 HB1 ALA 14 HB1 ALA 14 2.003 -0.441 -3.547
112 HB2 ALA 14 HB2 ALA 14 2.657 -1.772 -2.559
113 HB3 ALA 14 HB3 ALA 14 3.342 -0.189 -2.416
114 H ILE 15 H ILE 15 0.875 -2.816 -0.905
115 HA ILE 15 HA ILE 15 -1.438 -2.949 -2.604
116 HB ILE 15 HB ILE 15 -0.312 -5.015 -0.710
117 HG12 ILE 15 HG12 ILE 15 -0.291 -4.815 -3.717
118 HG13 ILE 15 HG13 ILE 15 1.062 -4.434 -2.660
119 HG21 ILE 15 HG21 ILE 15 -2.737 -5.376 -0.974
120 HG22 ILE 15 HG22 ILE 15 -1.816 -6.630 -1.800
121 HG23 ILE 15 HG23 ILE 15 -2.549 -5.316 -2.729
122 HD11 ILE 15 HD11 ILE 15 1.322 -6.625 -3.609
123 HD12 ILE 15 HD12 ILE 15 -0.264 -7.096 -2.947
124 HD13 ILE 15 HD13 ILE 15 1.065 -6.676 -1.851
125 H VAL 16 H VAL 16 -0.902 -2.899 0.788
126 HA VAL 16 HA VAL 16 -3.595 -3.055 1.566
127 HB VAL 16 HB VAL 16 -1.363 -1.525 2.950
128 HG11 VAL 16 HG11 VAL 16 -4.068 -2.311 4.056
129 HG12 VAL 16 HG12 VAL 16 -3.568 -0.670 3.647
130 HG13 VAL 16 HG13 VAL 16 -2.756 -1.541 4.950
131 HG21 VAL 16 HG21 VAL 16 -2.558 -4.246 3.466
132 HG22 VAL 16 HG22 VAL 16 -1.338 -3.459 4.471
133 HG23 VAL 16 HG23 VAL 16 -0.954 -3.904 2.811
134 H SER 17 H SER 17 -1.704 -0.288 0.736
135 HA SER 17 HA SER 17 -3.767 1.655 1.060
136 HB2 SER 17 HB2 SER 17 -1.357 2.241 1.109
137 HB3 SER 17 HB3 SER 17 -1.215 1.772 -0.578
138 HG SER 17 HG SER 17 -1.478 3.848 -0.727
139 H PHE 18 H PHE 18 -2.711 -0.324 -1.594
140 HA PHE 18 HA PHE 18 -4.222 0.876 -3.688
141 HB2 PHE 18 HB2 PHE 18 -2.364 -1.147 -3.517
142 HB3 PHE 18 HB3 PHE 18 -3.834 -2.054 -3.800
143 HD1 PHE 18 HD1 PHE 18 -1.127 -0.691 -5.336
144 HD2 PHE 18 HD2 PHE 18 -5.349 -0.862 -5.759
145 HE1 PHE 18 HE1 PHE 18 -0.902 -0.178 -7.736
146 HE2 PHE 18 HE2 PHE 18 -5.134 -0.364 -8.168
147 HZ PHE 18 HZ PHE 18 -2.907 -0.019 -9.151
148 H GLY 19 H GLY 19 -4.804 -1.822 -1.486
149 HA2 GLY 19 HA2 GLY 19 -7.391 -2.489 -2.363
150 HA3 GLY 19 HA3 GLY 19 -6.700 -2.878 -0.792
151 H GLU 20 H GLU 20 -6.283 -0.361 0.260
152 HA GLU 20 HA GLU 20 -8.851 0.376 1.103
153 HB2 GLU 20 HB2 GLU 20 -6.220 1.815 1.326
154 HB3 GLU 20 HB3 GLU 20 -7.669 2.370 2.136
155 HG2 GLU 20 HG2 GLU 20 -7.772 0.172 3.305
156 HG3 GLU 20 HG3 GLU 20 -6.219 -0.230 2.569
157 H GLY 21 H GLY 21 -6.807 1.537 -1.351
158 HA2 GLY 21 HA2 GLY 21 -8.204 3.870 -2.114
159 HA3 GLY 21 HA3 GLY 21 -7.142 2.938 -3.168
160 H PHE 22 H PHE 22 -8.693 0.541 -2.854
161 HA PHE 22 HA PHE 22 -10.848 1.043 -4.691
162 HB2 PHE 22 HB2 PHE 22 -9.601 -0.997 -4.977
163 HB3 PHE 22 HB3 PHE 22 -9.916 -1.473 -3.314
164 HD1 PHE 22 HD1 PHE 22 -11.456 -3.091 -3.014
165 HD2 PHE 22 HD2 PHE 22 -11.887 -0.492 -6.337
166 HE1 PHE 22 HE1 PHE 22 -13.448 -4.333 -3.709
167 HE2 PHE 22 HE2 PHE 22 -13.892 -1.732 -7.056
168 HZ PHE 22 HZ PHE 22 -14.680 -3.656 -5.739
169 H LEU 23 H LEU 23 -10.556 -0.061 -1.381
170 HA LEU 23 HA LEU 23 -13.280 -0.559 -0.858
171 HB2 LEU 23 HB2 LEU 23 -11.138 0.115 1.137
172 HB3 LEU 23 HB3 LEU 23 -12.663 -0.667 1.481
173 HG LEU 23 HG LEU 23 -10.402 -1.795 -0.147
174 HD11 LEU 23 HD11 LEU 23 -11.474 -2.586 2.542
175 HD12 LEU 23 HD12 LEU 23 -9.933 -1.797 2.196
176 HD13 LEU 23 HD13 LEU 23 -10.236 -3.435 1.618
177 HD21 LEU 23 HD21 LEU 23 -13.061 -3.047 0.531
178 HD22 LEU 23 HD22 LEU 23 -11.702 -3.839 -0.283
179 HD23 LEU 23 HD23 LEU 23 -12.534 -2.493 -1.061
180 H ASN 24 H ASN 24 -11.821 2.367 -1.210
181 HA ASN 24 HA ASN 24 -13.204 3.967 0.697
182 HB2 ASN 24 HB2 ASN 24 -12.341 5.835 -0.426
183 HB3 ASN 24 HB3 ASN 24 -11.125 4.575 -0.559
184 HD21 ASN 24 HD21 ASN 24 -12.768 3.228 -2.853
185 HD22 ASN 24 HD22 ASN 24 -12.426 4.261 -4.186
186 H ALA 25 H ALA 25 -14.473 2.319 -1.816
187 HA ALA 25 HA ALA 25 -16.401 4.359 -2.648
188 HB1 ALA 25 HB1 ALA 25 -15.315 3.046 -4.400
189 HB2 ALA 25 HB2 ALA 25 -17.054 2.772 -4.382
190 HB3 ALA 25 HB3 ALA 25 -15.960 1.567 -3.688
191 H TRP 26 H TRP 26 -16.227 2.717 -0.084
192 HA TRP 26 HA TRP 26 -18.613 1.192 0.027
193 HB2 TRP 26 HB2 TRP 26 -18.341 1.160 2.500
194 HB3 TRP 26 HB3 TRP 26 -16.849 0.751 1.683
195 HD1 TRP 26 HD1 TRP 26 -15.157 3.157 1.468
196 HE1 TRP 26 HE1 TRP 26 -14.537 4.692 3.383
197 HE3 TRP 26 HE3 TRP 26 -19.000 2.014 4.651
198 HZ2 TRP 26 HZ2 TRP 26 -15.534 5.348 5.971
199 HZ3 TRP 26 HZ3 TRP 26 -19.080 3.146 6.825
200 HH2 TRP 26 HH2 TRP 26 -17.393 4.770 7.473
Start of MODEL 3
1 H1 LYS 1 HT1 LYS 1 -21.041 -5.598 -2.948
2 H2 LYS 1 HT2 LYS 1 -21.677 -4.533 -1.808
3 H3 LYS 1 HT3 LYS 1 -21.313 -6.115 -1.384
4 HA LYS 1 HA LYS 1 -19.337 -4.163 -2.339
5 HB2 LYS 1 HB2 LYS 1 -18.530 -4.077 0.022
6 HB3 LYS 1 HB3 LYS 1 -20.116 -3.359 -0.203
7 HG2 LYS 1 HG2 LYS 1 -21.142 -5.396 0.675
8 HG3 LYS 1 HG3 LYS 1 -19.535 -6.083 0.943
9 HD2 LYS 1 HD2 LYS 1 -19.024 -4.307 2.523
10 HD3 LYS 1 HD3 LYS 1 -20.555 -3.519 2.150
11 HE2 LYS 1 HE2 LYS 1 -21.753 -5.456 3.036
12 HE3 LYS 1 HE3 LYS 1 -20.218 -6.231 3.416
13 HZ1 LYS 1 HZ1 LYS 1 -19.730 -4.464 4.969
14 HZ2 LYS 1 HZ2 LYS 1 -21.194 -5.156 5.354
15 HZ3 LYS 1 HZ3 LYS 1 -21.156 -3.657 4.588
16 H LYS 2 H LYS 2 -17.392 -4.929 -2.697
17 HA LYS 2 HA LYS 2 -16.759 -7.618 -1.746
18 HB2 LYS 2 HB2 LYS 2 -15.622 -8.205 -3.809
19 HB3 LYS 2 HB3 LYS 2 -17.311 -7.871 -4.115
20 HG2 LYS 2 HG2 LYS 2 -15.093 -5.918 -4.607
21 HG3 LYS 2 HG3 LYS 2 -15.676 -7.045 -5.836
22 HD2 LYS 2 HD2 LYS 2 -17.239 -4.787 -4.525
23 HD3 LYS 2 HD3 LYS 2 -16.657 -4.836 -6.179
24 HE2 LYS 2 HE2 LYS 2 -18.785 -6.600 -4.959
25 HE3 LYS 2 HE3 LYS 2 -19.013 -5.332 -6.142
26 HZ1 LYS 2 HZ1 LYS 2 -17.699 -6.639 -7.730
27 HZ2 LYS 2 HZ2 LYS 2 -19.057 -7.460 -7.171
28 HZ3 LYS 2 HZ3 LYS 2 -17.558 -7.883 -6.582
29 H LYS 3 H LYS 3 -16.044 -4.501 -1.616
30 HA LYS 3 HA LYS 3 -13.215 -4.994 -0.986
31 HB2 LYS 3 HB2 LYS 3 -14.537 -2.417 -1.879
32 HB3 LYS 3 HB3 LYS 3 -12.858 -2.594 -1.435
33 HG2 LYS 3 HG2 LYS 3 -14.168 -3.896 -3.816
34 HG3 LYS 3 HG3 LYS 3 -13.211 -2.414 -3.849
35 HD2 LYS 3 HD2 LYS 3 -11.283 -3.758 -2.956
36 HD3 LYS 3 HD3 LYS 3 -12.282 -5.204 -3.163
37 HE2 LYS 3 HE2 LYS 3 -12.483 -4.734 -5.547
38 HE3 LYS 3 HE3 LYS 3 -11.534 -3.272 -5.352
39 HZ1 LYS 3 HZ1 LYS 3 -10.176 -5.075 -6.202
40 HZ2 LYS 3 HZ2 LYS 3 -10.603 -6.044 -4.906
41 HZ3 LYS 3 HZ3 LYS 3 -9.655 -4.697 -4.638
42 H LYS 4 H LYS 4 -12.534 -3.740 0.883
43 HA LYS 4 HA LYS 4 -14.734 -2.655 2.480
44 HB2 LYS 4 HB2 LYS 4 -13.720 -3.562 4.504
45 HB3 LYS 4 HB3 LYS 4 -14.065 -4.858 3.375
46 HG2 LYS 4 HG2 LYS 4 -11.640 -4.741 2.698
47 HG3 LYS 4 HG3 LYS 4 -11.390 -3.669 4.074
48 HD2 LYS 4 HD2 LYS 4 -12.397 -6.522 4.158
49 HD3 LYS 4 HD3 LYS 4 -10.826 -5.952 4.693
50 HE2 LYS 4 HE2 LYS 4 -13.481 -5.171 5.910
51 HE3 LYS 4 HE3 LYS 4 -12.375 -6.372 6.556
52 HZ1 LYS 4 HZ1 LYS 4 -10.726 -4.636 6.896
53 HZ2 LYS 4 HZ2 LYS 4 -12.176 -4.295 7.670
54 HZ3 LYS 4 HZ3 LYS 4 -11.791 -3.459 6.276
55 H GLN 5 H GLN 5 -12.096 -2.018 0.761
56 HA GLN 5 HA GLN 5 -11.261 0.239 2.401
57 HB2 GLN 5 HB2 GLN 5 -9.623 -1.510 0.566
58 HB3 GLN 5 HB3 GLN 5 -9.078 -0.011 1.299
59 HG2 GLN 5 HG2 GLN 5 -9.226 -1.002 3.502
60 HG3 GLN 5 HG3 GLN 5 -9.899 -2.481 2.811
61 HE21 GLN 5 HE21 GLN 5 -7.362 -0.682 1.225
62 HE22 GLN 5 HE22 GLN 5 -6.140 -1.863 1.450
63 H SER 6 H SER 6 -11.385 2.063 1.336
64 HA SER 6 HA SER 6 -12.134 2.122 -1.460
65 HB2 SER 6 HB2 SER 6 -13.302 3.585 0.215
66 HB3 SER 6 HB3 SER 6 -11.766 4.376 0.540
67 HG SER 6 HG SER 6 -13.452 5.174 -1.162
68 H TRP 7 H TRP 7 -10.989 4.153 -2.534
69 HA TRP 7 HA TRP 7 -8.395 3.445 -3.210
70 HB2 TRP 7 HB2 TRP 7 -8.212 5.683 -4.301
71 HB3 TRP 7 HB3 TRP 7 -9.690 4.832 -4.717
72 HD1 TRP 7 HD1 TRP 7 -12.004 5.883 -3.746
73 HE1 TRP 7 HE1 TRP 7 -12.599 8.250 -2.950
74 HE3 TRP 7 HE3 TRP 7 -7.291 7.735 -3.112
75 HZ2 TRP 7 HZ2 TRP 7 -11.249 10.601 -2.163
76 HZ3 TRP 7 HZ3 TRP 7 -7.030 10.039 -2.344
77 HH2 TRP 7 HH2 TRP 7 -8.958 11.447 -1.873
78 H TYR 8 H TYR 8 -9.458 5.736 -0.822
79 HA TYR 8 HA TYR 8 -6.777 6.624 -0.280
80 HB2 TYR 8 HB2 TYR 8 -7.788 7.927 1.615
81 HB3 TYR 8 HB3 TYR 8 -8.492 8.269 0.049
82 HD1 TYR 8 HD1 TYR 8 -9.071 6.692 3.313
83 HD2 TYR 8 HD2 TYR 8 -10.799 7.748 -0.417
84 HE1 TYR 8 HE1 TYR 8 -11.296 6.248 4.233
85 HE2 TYR 8 HE2 TYR 8 -13.041 7.322 0.492
86 HH TYR 8 HH TYR 8 -13.752 7.111 3.655
87 H ALA 9 H ALA 9 -8.842 4.268 0.935
88 HA ALA 9 HA ALA 9 -7.430 3.806 3.375
89 HB1 ALA 9 HB1 ALA 9 -8.749 1.722 3.526
90 HB2 ALA 9 HB2 ALA 9 -9.391 2.032 1.908
91 HB3 ALA 9 HB3 ALA 9 -9.756 3.133 3.234
92 H ALA 10 H ALA 10 -7.445 2.417 0.108
93 HA ALA 10 HA ALA 10 -5.501 0.398 0.566
94 HB1 ALA 10 HB1 ALA 10 -5.434 0.294 -1.861
95 HB2 ALA 10 HB2 ALA 10 -6.364 1.798 -1.968
96 HB3 ALA 10 HB3 ALA 10 -7.106 0.348 -1.303
97 H ALA 11 H ALA 11 -5.406 3.686 -0.723
98 HA ALA 11 HA ALA 11 -2.720 3.806 -1.355
99 HB1 ALA 11 HB1 ALA 11 -4.377 5.512 -1.918
100 HB2 ALA 11 HB2 ALA 11 -2.926 6.215 -1.194
101 HB3 ALA 11 HB3 ALA 11 -4.402 6.038 -0.240
102 H GLY 12 H GLY 12 -4.259 4.336 1.746
103 HA2 GLY 12 HA2 GLY 12 -2.088 5.247 3.174
104 HA3 GLY 12 HA3 GLY 12 -3.457 4.369 3.869
105 H ASP 13 H ASP 13 -3.192 1.937 2.687
106 HA ASP 13 HA ASP 13 -0.935 0.849 4.139
107 HB2 ASP 13 HB2 ASP 13 -3.086 -0.400 3.996
108 HB3 ASP 13 HB3 ASP 13 -2.840 -0.555 2.269
109 H ALA 14 H ALA 14 -1.934 1.069 0.900
110 HA ALA 14 HA ALA 14 -0.048 -0.470 -0.392
111 HB1 ALA 14 HB1 ALA 14 -1.339 1.968 -1.604
112 HB2 ALA 14 HB2 ALA 14 -2.226 0.530 -1.253
113 HB3 ALA 14 HB3 ALA 14 -0.885 0.461 -2.425
114 H ILE 15 H ILE 15 0.126 2.977 0.303
115 HA ILE 15 HA ILE 15 2.611 3.268 -1.116
116 HB ILE 15 HB ILE 15 1.187 5.174 0.743
117 HG12 ILE 15 HG12 ILE 15 1.426 5.207 -2.267
118 HG13 ILE 15 HG13 ILE 15 0.060 4.528 -1.389
119 HG21 ILE 15 HG21 ILE 15 3.594 5.680 0.694
120 HG22 ILE 15 HG22 ILE 15 2.675 6.924 -0.144
121 HG23 ILE 15 HG23 ILE 15 3.566 5.716 -1.067
122 HD11 ILE 15 HD11 ILE 15 -0.407 6.640 -0.432
123 HD12 ILE 15 HD12 ILE 15 -0.372 6.739 -2.216
124 HD13 ILE 15 HD13 ILE 15 0.990 7.354 -1.253
125 H VAL 16 H VAL 16 1.671 2.942 2.167
126 HA VAL 16 HA VAL 16 4.258 3.262 3.297
127 HB VAL 16 HB VAL 16 1.899 1.680 4.366
128 HG11 VAL 16 HG11 VAL 16 3.969 0.924 5.380
129 HG12 VAL 16 HG12 VAL 16 2.997 1.809 6.555
130 HG13 VAL 16 HG13 VAL 16 4.401 2.578 5.814
131 HG21 VAL 16 HG21 VAL 16 1.557 3.666 5.807
132 HG22 VAL 16 HG22 VAL 16 1.353 3.997 4.100
133 HG23 VAL 16 HG23 VAL 16 2.834 4.507 4.920
134 H SER 17 H SER 17 2.506 0.505 2.178
135 HA SER 17 HA SER 17 4.498 -1.421 2.796
136 HB2 SER 17 HB2 SER 17 2.166 -1.531 0.872
137 HB3 SER 17 HB3 SER 17 3.111 -2.921 1.426
138 HG SER 17 HG SER 17 0.979 -2.007 2.591
139 H PHE 18 H PHE 18 3.967 0.758 0.171
140 HA PHE 18 HA PHE 18 5.640 -0.427 -1.776
141 HB2 PHE 18 HB2 PHE 18 3.876 1.523 -1.882
142 HB3 PHE 18 HB3 PHE 18 5.232 2.535 -1.445
143 HD1 PHE 18 HD1 PHE 18 7.435 1.869 -2.967
144 HD2 PHE 18 HD2 PHE 18 3.348 1.570 -4.064
145 HE1 PHE 18 HE1 PHE 18 8.079 2.023 -5.345
146 HE2 PHE 18 HE2 PHE 18 3.974 1.703 -6.453
147 HZ PHE 18 HZ PHE 18 6.346 1.929 -7.088
148 H GLY 19 H GLY 19 6.034 1.974 0.787
149 HA2 GLY 19 HA2 GLY 19 8.766 2.583 0.406
150 HA3 GLY 19 HA3 GLY 19 7.862 2.805 1.902
151 H GLU 20 H GLU 20 7.168 0.253 2.522
152 HA GLU 20 HA GLU 20 9.517 -0.825 3.657
153 HB2 GLU 20 HB2 GLU 20 6.826 -2.129 3.201
154 HB3 GLU 20 HB3 GLU 20 8.068 -2.745 4.276
155 HG2 GLU 20 HG2 GLU 20 6.633 -0.113 4.598
156 HG3 GLU 20 HG3 GLU 20 6.264 -1.593 5.473
157 H GLY 21 H GLY 21 7.842 -1.406 0.761
158 HA2 GLY 21 HA2 GLY 21 9.164 -3.809 -0.003
159 HA3 GLY 21 HA3 GLY 21 8.220 -2.779 -1.073
160 H PHE 22 H PHE 22 9.905 -0.468 -0.321
161 HA PHE 22 HA PHE 22 11.821 -0.499 -2.370
162 HB2 PHE 22 HB2 PHE 22 11.054 1.593 -1.642
163 HB3 PHE 22 HB3 PHE 22 11.368 1.225 0.044
164 HD1 PHE 22 HD1 PHE 22 12.978 2.077 -3.171
165 HD2 PHE 22 HD2 PHE 22 13.410 1.777 1.046
166 HE1 PHE 22 HE1 PHE 22 15.117 3.306 -3.294
167 HE2 PHE 22 HE2 PHE 22 15.528 2.982 0.942
168 HZ PHE 22 HZ PHE 22 16.393 3.756 -1.231
169 H LEU 23 H LEU 23 11.979 -1.546 0.880
170 HA LEU 23 HA LEU 23 14.802 -1.575 1.155
171 HB2 LEU 23 HB2 LEU 23 12.688 -3.049 2.709
172 HB3 LEU 23 HB3 LEU 23 14.375 -2.909 3.171
173 HG LEU 23 HG LEU 23 12.420 -0.623 2.956
174 HD11 LEU 23 HD11 LEU 23 11.966 -2.038 4.854
175 HD12 LEU 23 HD12 LEU 23 12.669 -0.495 5.368
176 HD13 LEU 23 HD13 LEU 23 13.666 -1.950 5.333
177 HD21 LEU 23 HD21 LEU 23 14.680 0.102 2.390
178 HD22 LEU 23 HD22 LEU 23 15.297 -0.672 3.851
179 HD23 LEU 23 HD23 LEU 23 14.181 0.695 3.975
180 H ASN 24 H ASN 24 12.808 -3.496 -0.694
181 HA ASN 24 HA ASN 24 13.852 -6.078 -0.477
182 HB2 ASN 24 HB2 ASN 24 12.937 -6.566 -2.603
183 HB3 ASN 24 HB3 ASN 24 11.865 -5.410 -1.839
184 HD21 ASN 24 HD21 ASN 24 13.663 -3.064 -2.543
185 HD22 ASN 24 HD22 ASN 24 13.429 -2.844 -4.231
186 H ALA 25 H ALA 25 15.522 -3.375 -1.425
187 HA ALA 25 HA ALA 25 17.273 -4.657 -3.338
188 HB1 ALA 25 HB1 ALA 25 18.356 -2.474 -3.457
189 HB2 ALA 25 HB2 ALA 25 17.338 -1.891 -2.139
190 HB3 ALA 25 HB3 ALA 25 16.611 -2.334 -3.685
191 H TRP 26 H TRP 26 17.007 -4.453 0.007
192 HA TRP 26 HA TRP 26 19.832 -5.088 0.326
193 HB2 TRP 26 HB2 TRP 26 18.179 -3.288 2.134
194 HB3 TRP 26 HB3 TRP 26 19.807 -3.853 2.491
195 HD1 TRP 26 HD1 TRP 26 17.915 -1.395 0.224
196 HE1 TRP 26 HE1 TRP 26 19.603 0.312 -0.739
197 HE3 TRP 26 HE3 TRP 26 22.265 -3.487 1.918
198 HZ2 TRP 26 HZ2 TRP 26 22.368 0.712 -0.774
199 HZ3 TRP 26 HZ3 TRP 26 24.390 -2.371 1.377
200 HH2 TRP 26 HH2 TRP 26 24.439 -0.316 0.063
Start of MODEL 4
1 H1 LYS 1 HT1 LYS 1 -20.583 2.881 4.152
2 H2 LYS 1 HT2 LYS 1 -19.156 3.800 4.308
3 H3 LYS 1 HT3 LYS 1 -19.178 2.438 3.352
4 HA LYS 1 HA LYS 1 -20.466 3.282 1.774
5 HB2 LYS 1 HB2 LYS 1 -21.325 5.664 1.852
6 HB3 LYS 1 HB3 LYS 1 -22.125 4.531 2.927
7 HG2 LYS 1 HG2 LYS 1 -20.792 5.443 4.807
8 HG3 LYS 1 HG3 LYS 1 -20.070 6.592 3.684
9 HD2 LYS 1 HD2 LYS 1 -22.243 7.550 3.210
10 HD3 LYS 1 HD3 LYS 1 -23.026 6.370 4.251
11 HE2 LYS 1 HE2 LYS 1 -21.752 7.286 6.175
12 HE3 LYS 1 HE3 LYS 1 -21.054 8.494 5.103
13 HZ1 LYS 1 HZ1 LYS 1 -23.943 8.207 5.760
14 HZ2 LYS 1 HZ2 LYS 1 -23.326 9.325 4.685
15 HZ3 LYS 1 HZ3 LYS 1 -22.920 9.416 6.306
16 H LYS 2 H LYS 2 -18.361 5.749 3.399
17 HA LYS 2 HA LYS 2 -17.030 5.847 0.842
18 HB2 LYS 2 HB2 LYS 2 -17.578 8.043 1.751
19 HB3 LYS 2 HB3 LYS 2 -16.733 7.665 3.239
20 HG2 LYS 2 HG2 LYS 2 -15.417 9.153 1.799
21 HG3 LYS 2 HG3 LYS 2 -14.614 7.597 2.054
22 HD2 LYS 2 HD2 LYS 2 -15.429 6.842 -0.146
23 HD3 LYS 2 HD3 LYS 2 -16.183 8.426 -0.381
24 HE2 LYS 2 HE2 LYS 2 -14.016 9.501 -0.290
25 HE3 LYS 2 HE3 LYS 2 -13.232 7.961 0.044
26 HZ1 LYS 2 HZ1 LYS 2 -13.031 8.558 -2.304
27 HZ2 LYS 2 HZ2 LYS 2 -14.692 8.649 -2.457
28 HZ3 LYS 2 HZ3 LYS 2 -13.958 7.179 -2.138
29 H LYS 3 H LYS 3 -15.937 4.059 0.776
30 HA LYS 3 HA LYS 3 -14.015 3.526 2.833
31 HB2 LYS 3 HB2 LYS 3 -13.399 1.561 1.318
32 HB3 LYS 3 HB3 LYS 3 -15.005 1.525 2.022
33 HG2 LYS 3 HG2 LYS 3 -15.900 2.361 -0.142
34 HG3 LYS 3 HG3 LYS 3 -14.264 2.251 -0.802
35 HD2 LYS 3 HD2 LYS 3 -14.218 -0.138 -0.383
36 HD3 LYS 3 HD3 LYS 3 -15.784 -0.051 0.417
37 HE2 LYS 3 HE2 LYS 3 -16.053 -0.899 -1.844
38 HE3 LYS 3 HE3 LYS 3 -16.815 0.680 -1.677
39 HZ1 LYS 3 HZ1 LYS 3 -14.165 0.183 -2.944
40 HZ2 LYS 3 HZ2 LYS 3 -14.903 1.680 -2.752
41 HZ3 LYS 3 HZ3 LYS 3 -15.621 0.523 -3.719
42 H LYS 4 H LYS 4 -12.030 4.168 2.757
43 HA LYS 4 HA LYS 4 -11.295 5.997 0.647
44 HB2 LYS 4 HB2 LYS 4 -9.259 6.441 2.014
45 HB3 LYS 4 HB3 LYS 4 -10.753 6.684 2.900
46 HG2 LYS 4 HG2 LYS 4 -10.444 4.421 3.902
47 HG3 LYS 4 HG3 LYS 4 -8.874 4.333 3.114
48 HD2 LYS 4 HD2 LYS 4 -9.731 6.428 5.101
49 HD3 LYS 4 HD3 LYS 4 -8.736 5.022 5.454
50 HE2 LYS 4 HE2 LYS 4 -7.041 5.816 3.908
51 HE3 LYS 4 HE3 LYS 4 -8.019 7.231 3.534
52 HZ1 LYS 4 HZ1 LYS 4 -6.303 7.686 5.157
53 HZ2 LYS 4 HZ2 LYS 4 -6.964 6.548 6.217
54 HZ3 LYS 4 HZ3 LYS 4 -7.831 7.940 5.807
55 H GLN 5 H GLN 5 -10.128 2.962 1.856
56 HA GLN 5 HA GLN 5 -9.100 2.272 -0.733
57 HB2 GLN 5 HB2 GLN 5 -7.311 2.265 1.738
58 HB3 GLN 5 HB3 GLN 5 -6.916 1.451 0.240
59 HG2 GLN 5 HG2 GLN 5 -6.876 3.560 -0.923
60 HG3 GLN 5 HG3 GLN 5 -7.290 4.426 0.555
61 HE21 GLN 5 HE21 GLN 5 -4.979 1.737 0.208
62 HE22 GLN 5 HE22 GLN 5 -3.602 2.698 0.595
63 H SER 6 H SER 6 -9.506 0.150 -1.058
64 HA SER 6 HA SER 6 -10.888 -1.345 0.881
65 HB2 SER 6 HB2 SER 6 -9.533 -2.345 -1.627
66 HB3 SER 6 HB3 SER 6 -11.006 -2.952 -0.852
67 HG SER 6 HG SER 6 -11.967 -1.642 -2.255
68 H TRP 7 H TRP 7 -10.033 -3.636 1.419
69 HA TRP 7 HA TRP 7 -7.775 -3.448 3.001
70 HB2 TRP 7 HB2 TRP 7 -7.861 -5.962 3.174
71 HB3 TRP 7 HB3 TRP 7 -9.401 -5.167 3.472
72 HD1 TRP 7 HD1 TRP 7 -11.337 -5.555 1.658
73 HE1 TRP 7 HE1 TRP 7 -11.649 -7.358 -0.156
74 HE3 TRP 7 HE3 TRP 7 -6.602 -7.451 1.561
75 HZ2 TRP 7 HZ2 TRP 7 -10.108 -9.320 -1.438
76 HZ3 TRP 7 HZ3 TRP 7 -6.110 -9.284 0.021
77 HH2 TRP 7 HH2 TRP 7 -7.820 -10.200 -1.449
78 H TYR 8 H TYR 8 -8.026 -4.732 -0.228
79 HA TYR 8 HA TYR 8 -5.264 -5.476 -0.396
80 HB2 TYR 8 HB2 TYR 8 -5.690 -5.843 -2.825
81 HB3 TYR 8 HB3 TYR 8 -6.852 -6.666 -1.804
82 HD1 TYR 8 HD1 TYR 8 -9.194 -6.105 -1.892
83 HD2 TYR 8 HD2 TYR 8 -6.365 -3.813 -4.097
84 HE1 TYR 8 HE1 TYR 8 -11.036 -5.000 -3.136
85 HE2 TYR 8 HE2 TYR 8 -8.182 -2.726 -5.325
86 HH TYR 8 HH TYR 8 -10.436 -3.080 -5.900
87 H ALA 9 H ALA 9 -6.991 -2.654 -0.944
88 HA ALA 9 HA ALA 9 -5.082 -1.327 -2.642
89 HB1 ALA 9 HB1 ALA 9 -7.361 -0.233 -1.005
90 HB2 ALA 9 HB2 ALA 9 -7.390 -0.590 -2.740
91 HB3 ALA 9 HB3 ALA 9 -6.400 0.726 -2.115
92 H ALA 10 H ALA 10 -5.801 -1.442 0.836
93 HA ALA 10 HA ALA 10 -3.846 0.465 1.499
94 HB1 ALA 10 HB1 ALA 10 -5.788 0.014 2.956
95 HB2 ALA 10 HB2 ALA 10 -4.258 -0.276 3.786
96 HB3 ALA 10 HB3 ALA 10 -5.205 -1.635 3.189
97 H ALA 11 H ALA 11 -4.130 -3.058 1.725
98 HA ALA 11 HA ALA 11 -1.543 -3.582 2.679
99 HB1 ALA 11 HB1 ALA 11 -3.175 -5.325 0.843
100 HB2 ALA 11 HB2 ALA 11 -3.355 -5.255 2.597
101 HB3 ALA 11 HB3 ALA 11 -1.851 -5.827 1.888
102 H GLY 12 H GLY 12 -2.629 -3.428 -0.665
103 HA2 GLY 12 HA2 GLY 12 -0.155 -4.044 -1.801
104 HA3 GLY 12 HA3 GLY 12 -1.447 -3.143 -2.583
105 H ASP 13 H ASP 13 -1.651 -0.875 -1.297
106 HA ASP 13 HA ASP 13 0.528 0.632 -2.257
107 HB2 ASP 13 HB2 ASP 13 -1.751 1.566 -2.042
108 HB3 ASP 13 HB3 ASP 13 -1.598 1.466 -0.297
109 H ALA 14 H ALA 14 -0.447 -0.209 0.893
110 HA ALA 14 HA ALA 14 1.439 1.233 2.362
111 HB1 ALA 14 HB1 ALA 14 -0.636 0.210 3.262
112 HB2 ALA 14 HB2 ALA 14 0.786 -0.176 4.246
113 HB3 ALA 14 HB3 ALA 14 0.108 -1.358 3.111
114 H ILE 15 H ILE 15 1.543 -2.103 1.159
115 HA ILE 15 HA ILE 15 4.090 -2.590 2.366
116 HB ILE 15 HB ILE 15 2.542 -4.224 0.337
117 HG12 ILE 15 HG12 ILE 15 3.016 -4.689 3.270
118 HG13 ILE 15 HG13 ILE 15 1.552 -3.961 2.616
119 HG21 ILE 15 HG21 ILE 15 5.017 -4.977 1.883
120 HG22 ILE 15 HG22 ILE 15 4.921 -4.742 0.128
121 HG23 ILE 15 HG23 ILE 15 4.040 -6.065 0.900
122 HD11 ILE 15 HD11 ILE 15 1.205 -6.297 3.087
123 HD12 ILE 15 HD12 ILE 15 2.585 -6.724 2.056
124 HD13 ILE 15 HD13 ILE 15 1.144 -5.990 1.343
125 H VAL 16 H VAL 16 3.000 -1.918 -0.842
126 HA VAL 16 HA VAL 16 5.543 -2.049 -2.064
127 HB VAL 16 HB VAL 16 3.126 -0.426 -2.940
128 HG11 VAL 16 HG11 VAL 16 5.653 -1.020 -4.482
129 HG12 VAL 16 HG12 VAL 16 5.151 0.556 -3.873
130 HG13 VAL 16 HG13 VAL 16 4.204 -0.244 -5.128
131 HG21 VAL 16 HG21 VAL 16 4.223 -3.057 -3.944
132 HG22 VAL 16 HG22 VAL 16 2.829 -2.202 -4.594
133 HG23 VAL 16 HG23 VAL 16 2.783 -2.836 -2.952
134 H SER 17 H SER 17 3.909 0.601 -0.530
135 HA SER 17 HA SER 17 5.933 2.500 -1.164
136 HB2 SER 17 HB2 SER 17 3.754 2.552 0.919
137 HB3 SER 17 HB3 SER 17 4.782 3.929 0.487
138 HG SER 17 HG SER 17 2.604 2.880 -0.795
139 H PHE 18 H PHE 18 5.382 0.254 1.416
140 HA PHE 18 HA PHE 18 7.286 1.214 3.265
141 HB2 PHE 18 HB2 PHE 18 5.374 -0.541 3.454
142 HB3 PHE 18 HB3 PHE 18 6.547 -1.671 2.815
143 HD1 PHE 18 HD1 PHE 18 5.011 -1.536 5.498
144 HD2 PHE 18 HD2 PHE 18 8.954 -0.519 4.336
145 HE1 PHE 18 HE1 PHE 18 5.783 -1.919 7.803
146 HE2 PHE 18 HE2 PHE 18 9.739 -0.895 6.640
147 HZ PHE 18 HZ PHE 18 8.163 -1.588 8.366
148 H GLY 19 H GLY 19 7.317 -1.211 0.681
149 HA2 GLY 19 HA2 GLY 19 10.004 -1.983 0.915
150 HA3 GLY 19 HA3 GLY 19 9.017 -2.187 -0.518
151 H GLU 20 H GLU 20 8.456 0.428 -1.176
152 HA GLU 20 HA GLU 20 10.805 1.235 -2.480
153 HB2 GLU 20 HB2 GLU 20 8.262 2.748 -1.906
154 HB3 GLU 20 HB3 GLU 20 9.508 3.364 -2.970
155 HG2 GLU 20 HG2 GLU 20 7.909 0.840 -3.377
156 HG3 GLU 20 HG3 GLU 20 7.662 2.370 -4.214
157 H GLY 21 H GLY 21 9.344 2.189 0.446
158 HA2 GLY 21 HA2 GLY 21 10.993 4.391 1.101
159 HA3 GLY 21 HA3 GLY 21 10.047 3.453 2.255
160 H PHE 22 H PHE 22 11.380 0.993 1.451
161 HA PHE 22 HA PHE 22 13.824 1.234 2.906
162 HB2 PHE 22 HB2 PHE 22 12.559 -0.765 3.261
163 HB3 PHE 22 HB3 PHE 22 12.504 -1.107 1.540
164 HD1 PHE 22 HD1 PHE 22 13.719 -2.929 0.982
165 HD2 PHE 22 HD2 PHE 22 15.215 -0.287 3.938
166 HE1 PHE 22 HE1 PHE 22 15.738 -4.310 1.151
167 HE2 PHE 22 HE2 PHE 22 17.265 -1.670 4.147
168 HZ PHE 22 HZ PHE 22 17.525 -3.685 2.747
169 H LEU 23 H LEU 23 12.939 0.388 -0.401
170 HA LEU 23 HA LEU 23 15.443 -0.282 -1.372
171 HB2 LEU 23 HB2 LEU 23 13.140 0.824 -2.939
172 HB3 LEU 23 HB3 LEU 23 14.505 -0.057 -3.605
173 HG LEU 23 HG LEU 23 12.386 -1.137 -1.764
174 HD11 LEU 23 HD11 LEU 23 11.660 -0.926 -4.050
175 HD12 LEU 23 HD12 LEU 23 11.858 -2.619 -3.594
176 HD13 LEU 23 HD13 LEU 23 13.079 -1.830 -4.599
177 HD21 LEU 23 HD21 LEU 23 14.496 -2.112 -1.153
178 HD22 LEU 23 HD22 LEU 23 14.837 -2.520 -2.832
179 HD23 LEU 23 HD23 LEU 23 13.496 -3.302 -1.986
180 H ASN 24 H ASN 24 14.090 2.873 -1.137
181 HA ASN 24 HA ASN 24 15.957 4.253 -2.798
182 HB2 ASN 24 HB2 ASN 24 15.159 6.262 -1.817
183 HB3 ASN 24 HB3 ASN 24 13.791 5.165 -1.989
184 HD21 ASN 24 HD21 ASN 24 14.818 3.632 0.540
185 HD22 ASN 24 HD22 ASN 24 14.240 4.634 1.790
186 H ALA 25 H ALA 25 16.602 2.614 -0.035
187 HA ALA 25 HA ALA 25 18.706 4.421 0.915
188 HB1 ALA 25 HB1 ALA 25 18.639 3.104 2.971
189 HB2 ALA 25 HB2 ALA 25 17.390 2.074 2.259
190 HB3 ALA 25 HB3 ALA 25 17.047 3.776 2.587
191 H TRP 26 H TRP 26 18.687 2.629 -1.388
192 HA TRP 26 HA TRP 26 20.162 0.322 -1.032
193 HB2 TRP 26 HB2 TRP 26 20.776 0.569 -3.453
194 HB3 TRP 26 HB3 TRP 26 19.059 0.677 -3.090
195 HD1 TRP 26 HD1 TRP 26 17.898 3.074 -3.406
196 HE1 TRP 26 HE1 TRP 26 18.518 5.093 -4.847
197 HE3 TRP 26 HE3 TRP 26 22.775 1.901 -4.329
198 HZ2 TRP 26 HZ2 TRP 26 20.809 6.074 -6.216
199 HZ3 TRP 26 HZ3 TRP 26 24.117 3.419 -5.712
200 HH2 TRP 26 HH2 TRP 26 23.155 5.470 -6.632
Start of MODEL 5
1 H1 LYS 1 HT1 LYS 1 18.291 10.504 -1.840
2 H2 LYS 1 HT2 LYS 1 19.651 9.500 -1.792
3 H3 LYS 1 HT3 LYS 1 18.810 9.889 -0.379
4 HA LYS 1 HA LYS 1 17.693 8.409 -2.647
5 HB2 LYS 1 HB2 LYS 1 18.664 7.435 0.039
6 HB3 LYS 1 HB3 LYS 1 17.684 6.481 -1.073
7 HG2 LYS 1 HG2 LYS 1 19.473 6.616 -2.742
8 HG3 LYS 1 HG3 LYS 1 20.440 7.572 -1.629
9 HD2 LYS 1 HD2 LYS 1 20.505 5.739 -0.064
10 HD3 LYS 1 HD3 LYS 1 19.439 4.783 -1.094
11 HE2 LYS 1 HE2 LYS 1 21.130 4.847 -2.875
12 HE3 LYS 1 HE3 LYS 1 22.195 5.770 -1.818
13 HZ1 LYS 1 HZ1 LYS 1 21.210 3.029 -1.307
14 HZ2 LYS 1 HZ2 LYS 1 22.270 3.905 -0.311
15 HZ3 LYS 1 HZ3 LYS 1 22.737 3.442 -1.858
16 H LYS 2 H LYS 2 15.606 7.939 -2.500
17 HA LYS 2 HA LYS 2 14.066 9.264 -0.373
18 HB2 LYS 2 HB2 LYS 2 12.255 9.375 -2.057
19 HB3 LYS 2 HB3 LYS 2 13.700 10.231 -2.579
20 HG2 LYS 2 HG2 LYS 2 14.338 8.283 -3.946
21 HG3 LYS 2 HG3 LYS 2 12.854 7.480 -3.442
22 HD2 LYS 2 HD2 LYS 2 11.527 9.225 -4.485
23 HD3 LYS 2 HD3 LYS 2 12.998 10.081 -4.956
24 HE2 LYS 2 HE2 LYS 2 13.676 8.132 -6.291
25 HE3 LYS 2 HE3 LYS 2 12.180 7.316 -5.840
26 HZ1 LYS 2 HZ1 LYS 2 10.948 9.074 -6.927
27 HZ2 LYS 2 HZ2 LYS 2 12.021 8.333 -7.993
28 HZ3 LYS 2 HZ3 LYS 2 12.384 9.837 -7.370
29 H LYS 3 H LYS 3 15.098 6.379 -1.411
30 HA LYS 3 HA LYS 3 12.665 4.892 -0.940
31 HB2 LYS 3 HB2 LYS 3 14.190 4.267 -2.728
32 HB3 LYS 3 HB3 LYS 3 15.442 3.892 -1.545
33 HG2 LYS 3 HG2 LYS 3 14.098 2.082 -0.656
34 HG3 LYS 3 HG3 LYS 3 12.774 2.504 -1.745
35 HD2 LYS 3 HD2 LYS 3 15.515 1.572 -2.586
36 HD3 LYS 3 HD3 LYS 3 14.051 0.587 -2.578
37 HE2 LYS 3 HE2 LYS 3 13.017 2.149 -4.199
38 HE3 LYS 3 HE3 LYS 3 14.498 3.083 -4.224
39 HZ1 LYS 3 HZ1 LYS 3 14.203 0.276 -5.144
40 HZ2 LYS 3 HZ2 LYS 3 15.653 1.133 -5.080
41 HZ3 LYS 3 HZ3 LYS 3 14.432 1.644 -6.091
42 H LYS 4 H LYS 4 12.071 4.640 1.004
43 HA LYS 4 HA LYS 4 14.005 4.472 3.193
44 HB2 LYS 4 HB2 LYS 4 12.023 4.958 4.626
45 HB3 LYS 4 HB3 LYS 4 12.447 6.254 3.515
46 HG2 LYS 4 HG2 LYS 4 10.630 5.582 2.040
47 HG3 LYS 4 HG3 LYS 4 10.223 4.245 3.116
48 HD2 LYS 4 HD2 LYS 4 10.145 7.174 3.855
49 HD3 LYS 4 HD3 LYS 4 8.740 6.215 3.384
50 HE2 LYS 4 HE2 LYS 4 9.124 4.748 5.331
51 HE3 LYS 4 HE3 LYS 4 10.528 5.729 5.755
52 HZ1 LYS 4 HZ1 LYS 4 7.737 6.721 5.647
53 HZ2 LYS 4 HZ2 LYS 4 9.097 7.605 6.072
54 HZ3 LYS 4 HZ3 LYS 4 8.584 6.328 7.040
55 H GLN 5 H GLN 5 11.667 2.621 1.450
56 HA GLN 5 HA GLN 5 11.930 0.526 3.408
57 HB2 GLN 5 HB2 GLN 5 9.429 1.411 1.981
58 HB3 GLN 5 HB3 GLN 5 9.580 -0.160 2.750
59 HG2 GLN 5 HG2 GLN 5 9.914 0.823 4.865
60 HG3 GLN 5 HG3 GLN 5 9.939 2.457 4.202
61 HE21 GLN 5 HE21 GLN 5 7.711 -0.151 3.322
62 HE22 GLN 5 HE22 GLN 5 6.310 0.584 3.979
63 H SER 6 H SER 6 12.235 -1.376 2.618
64 HA SER 6 HA SER 6 13.259 -1.731 -0.012
65 HB2 SER 6 HB2 SER 6 12.427 -3.815 1.998
66 HB3 SER 6 HB3 SER 6 13.601 -4.027 0.698
67 HG SER 6 HG SER 6 15.006 -3.396 2.137
68 H TRP 7 H TRP 7 12.431 -3.497 -1.506
69 HA TRP 7 HA TRP 7 9.937 -2.812 -2.497
70 HB2 TRP 7 HB2 TRP 7 10.079 -4.791 -3.976
71 HB3 TRP 7 HB3 TRP 7 11.578 -3.872 -3.945
72 HD1 TRP 7 HD1 TRP 7 13.721 -5.083 -2.902
73 HE1 TRP 7 HE1 TRP 7 14.256 -7.540 -2.410
74 HE3 TRP 7 HE3 TRP 7 9.020 -7.025 -3.232
75 HZ2 TRP 7 HZ2 TRP 7 12.891 -9.988 -2.196
76 HZ3 TRP 7 HZ3 TRP 7 8.716 -9.450 -2.873
77 HH2 TRP 7 HH2 TRP 7 10.616 -10.897 -2.372
78 H TYR 8 H TYR 8 10.701 -5.492 -0.425
79 HA TYR 8 HA TYR 8 8.043 -6.518 -0.497
80 HB2 TYR 8 HB2 TYR 8 8.786 -8.023 1.368
81 HB3 TYR 8 HB3 TYR 8 9.769 -8.110 -0.084
82 HD1 TYR 8 HD1 TYR 8 12.054 -7.357 -0.069
83 HD2 TYR 8 HD2 TYR 8 9.676 -7.020 3.427
84 HE1 TYR 8 HE1 TYR 8 14.074 -6.910 1.250
85 HE2 TYR 8 HE2 TYR 8 11.678 -6.569 4.762
86 HH TYR 8 HH TYR 8 14.034 -6.961 4.651
87 H ALA 9 H ALA 9 9.655 -4.268 1.410
88 HA ALA 9 HA ALA 9 7.833 -4.258 3.620
89 HB1 ALA 9 HB1 ALA 9 8.978 -2.128 4.231
90 HB2 ALA 9 HB2 ALA 9 9.887 -2.240 2.724
91 HB3 ALA 9 HB3 ALA 9 10.088 -3.470 3.966
92 H ALA 10 H ALA 10 8.337 -2.349 0.668
93 HA ALA 10 HA ALA 10 6.175 -0.591 1.063
94 HB1 ALA 10 HB1 ALA 10 8.043 -0.107 -0.451
95 HB2 ALA 10 HB2 ALA 10 6.484 -0.091 -1.287
96 HB3 ALA 10 HB3 ALA 10 7.566 -1.469 -1.467
97 H ALA 11 H ALA 11 6.597 -3.588 -0.769
98 HA ALA 11 HA ALA 11 4.083 -3.775 -1.902
99 HB1 ALA 11 HB1 ALA 11 4.458 -6.155 -2.071
100 HB2 ALA 11 HB2 ALA 11 5.718 -6.080 -0.846
101 HB3 ALA 11 HB3 ALA 11 5.959 -5.296 -2.404
102 H GLY 12 H GLY 12 5.074 -4.870 1.296
103 HA2 GLY 12 HA2 GLY 12 2.702 -6.113 2.040
104 HA3 GLY 12 HA3 GLY 12 3.840 -5.383 3.164
105 H ASP 13 H ASP 13 3.690 -2.758 2.446
106 HA ASP 13 HA ASP 13 1.160 -2.021 3.633
107 HB2 ASP 13 HB2 ASP 13 3.289 -0.814 4.186
108 HB3 ASP 13 HB3 ASP 13 3.325 -0.226 2.538
109 H ALA 14 H ALA 14 2.718 -1.492 0.642
110 HA ALA 14 HA ALA 14 0.901 0.230 -0.576
111 HB1 ALA 14 HB1 ALA 14 2.154 -0.139 -2.615
112 HB2 ALA 14 HB2 ALA 14 2.794 -1.655 -1.953
113 HB3 ALA 14 HB3 ALA 14 3.281 -0.149 -1.242
114 H ILE 15 H ILE 15 1.045 -3.306 -0.687
115 HA ILE 15 HA ILE 15 -1.024 -3.474 -2.669
116 HB ILE 15 HB ILE 15 0.118 -5.597 -0.842
117 HG12 ILE 15 HG12 ILE 15 0.495 -5.126 -3.798
118 HG13 ILE 15 HG13 ILE 15 1.635 -4.646 -2.542
119 HG21 ILE 15 HG21 ILE 15 -1.001 -7.257 -2.260
120 HG22 ILE 15 HG22 ILE 15 -1.787 -5.962 -3.166
121 HG23 ILE 15 HG23 ILE 15 -2.178 -6.210 -1.466
122 HD11 ILE 15 HD11 ILE 15 1.895 -6.949 -1.911
123 HD12 ILE 15 HD12 ILE 15 2.311 -6.699 -3.625
124 HD13 ILE 15 HD13 ILE 15 0.764 -7.437 -3.174
125 H VAL 16 H VAL 16 -0.891 -3.773 0.744
126 HA VAL 16 HA VAL 16 -3.632 -4.358 1.110
127 HB VAL 16 HB VAL 16 -1.786 -2.951 3.061
128 HG11 VAL 16 HG11 VAL 16 -4.151 -2.625 3.626
129 HG12 VAL 16 HG12 VAL 16 -3.341 -3.661 4.796
130 HG13 VAL 16 HG13 VAL 16 -4.409 -4.370 3.578
131 HG21 VAL 16 HG21 VAL 16 -2.464 -5.875 2.717
132 HG22 VAL 16 HG22 VAL 16 -1.569 -5.197 4.080
133 HG23 VAL 16 HG23 VAL 16 -0.893 -5.098 2.464
134 H SER 17 H SER 17 -1.895 -1.382 0.957
135 HA SER 17 HA SER 17 -4.133 0.309 1.452
136 HB2 SER 17 HB2 SER 17 -1.778 1.062 1.782
137 HB3 SER 17 HB3 SER 17 -1.528 0.988 0.043
138 HG SER 17 HG SER 17 -2.136 3.109 1.105
139 H PHE 18 H PHE 18 -2.770 -1.154 -1.358
140 HA PHE 18 HA PHE 18 -4.103 0.224 -3.415
141 HB2 PHE 18 HB2 PHE 18 -2.192 -1.547 -3.436
142 HB3 PHE 18 HB3 PHE 18 -3.484 -2.715 -3.403
143 HD1 PHE 18 HD1 PHE 18 -5.414 -1.929 -5.310
144 HD2 PHE 18 HD2 PHE 18 -1.218 -1.398 -5.421
145 HE1 PHE 18 HE1 PHE 18 -5.501 -1.895 -7.772
146 HE2 PHE 18 HE2 PHE 18 -1.276 -1.353 -7.878
147 HZ PHE 18 HZ PHE 18 -3.430 -1.609 -9.066
148 H GLY 19 H GLY 19 -4.910 -2.674 -1.558
149 HA2 GLY 19 HA2 GLY 19 -7.400 -3.192 -2.780
150 HA3 GLY 19 HA3 GLY 19 -6.876 -3.783 -1.203
151 H GLU 20 H GLU 20 -6.518 -1.511 0.188
152 HA GLU 20 HA GLU 20 -9.097 -0.826 1.038
153 HB2 GLU 20 HB2 GLU 20 -6.452 0.532 1.506
154 HB3 GLU 20 HB3 GLU 20 -7.938 0.939 2.353
155 HG2 GLU 20 HG2 GLU 20 -6.531 -1.725 2.442
156 HG3 GLU 20 HG3 GLU 20 -6.489 -0.485 3.697
157 H GLY 21 H GLY 21 -6.961 0.622 -1.185
158 HA2 GLY 21 HA2 GLY 21 -8.080 3.166 -1.572
159 HA3 GLY 21 HA3 GLY 21 -7.248 2.238 -2.826
160 H PHE 22 H PHE 22 -8.940 0.098 -2.886
161 HA PHE 22 HA PHE 22 -11.171 1.151 -4.384
162 HB2 PHE 22 HB2 PHE 22 -10.006 -0.790 -5.261
163 HB3 PHE 22 HB3 PHE 22 -10.321 -1.682 -3.777
164 HD1 PHE 22 HD1 PHE 22 -12.175 0.137 -6.433
165 HD2 PHE 22 HD2 PHE 22 -12.026 -3.168 -3.789
166 HE1 PHE 22 HE1 PHE 22 -14.242 -0.755 -7.437
167 HE2 PHE 22 HE2 PHE 22 -14.079 -4.061 -4.751
168 HZ PHE 22 HZ PHE 22 -15.201 -2.865 -6.592
169 H LEU 23 H LEU 23 -10.698 -0.824 -1.505
170 HA LEU 23 HA LEU 23 -13.388 -1.371 -0.956
171 HB2 LEU 23 HB2 LEU 23 -11.090 -1.391 0.994
172 HB3 LEU 23 HB3 LEU 23 -12.625 -2.195 1.196
173 HG LEU 23 HG LEU 23 -10.516 -2.875 -0.839
174 HD11 LEU 23 HD11 LEU 23 -10.365 -4.968 0.336
175 HD12 LEU 23 HD12 LEU 23 -11.531 -4.394 1.537
176 HD13 LEU 23 HD13 LEU 23 -9.952 -3.611 1.387
177 HD21 LEU 23 HD21 LEU 23 -11.959 -4.752 -1.440
178 HD22 LEU 23 HD22 LEU 23 -12.693 -3.185 -1.799
179 HD23 LEU 23 HD23 LEU 23 -13.221 -4.099 -0.386
180 H ASN 24 H ASN 24 -11.779 1.534 -0.500
181 HA ASN 24 HA ASN 24 -13.091 2.526 1.786
182 HB2 ASN 24 HB2 ASN 24 -12.464 4.735 1.120
183 HB3 ASN 24 HB3 ASN 24 -11.164 3.686 0.611
184 HD21 ASN 24 HD21 ASN 24 -12.578 2.774 -1.934
185 HD22 ASN 24 HD22 ASN 24 -12.532 4.185 -2.904
186 H ALA 25 H ALA 25 -14.324 1.899 -1.386
187 HA ALA 25 HA ALA 25 -16.778 3.379 -0.730
188 HB1 ALA 25 HB1 ALA 25 -15.542 4.504 -2.501
189 HB2 ALA 25 HB2 ALA 25 -17.046 3.810 -3.127
190 HB3 ALA 25 HB3 ALA 25 -15.510 3.010 -3.432
191 H TRP 26 H TRP 26 -15.463 0.364 -1.160
192 HA TRP 26 HA TRP 26 -18.009 -0.802 -1.884
193 HB2 TRP 26 HB2 TRP 26 -15.319 -1.480 -3.134
194 HB3 TRP 26 HB3 TRP 26 -16.728 -2.523 -3.230
195 HD1 TRP 26 HD1 TRP 26 -15.676 1.045 -4.326
196 HE1 TRP 26 HE1 TRP 26 -16.880 1.601 -6.512
197 HE3 TRP 26 HE3 TRP 26 -18.507 -3.194 -4.767
198 HZ2 TRP 26 HZ2 TRP 26 -18.782 0.390 -8.217
199 HZ3 TRP 26 HZ3 TRP 26 -19.984 -3.416 -6.711
200 HH2 TRP 26 HH2 TRP 26 -20.131 -1.666 -8.395
Start of MODEL 6
1 H1 LYS 1 HT1 LYS 1 16.778 -9.892 6.074
2 H2 LYS 1 HT2 LYS 1 17.383 -9.434 4.570
3 H3 LYS 1 HT3 LYS 1 15.727 -9.586 4.815
4 HA LYS 1 HA LYS 1 15.587 -7.798 6.239
5 HB2 LYS 1 HB2 LYS 1 17.483 -6.375 6.745
6 HB3 LYS 1 HB3 LYS 1 17.747 -8.009 7.326
7 HG2 LYS 1 HG2 LYS 1 19.241 -8.479 5.518
8 HG3 LYS 1 HG3 LYS 1 18.914 -6.922 4.772
9 HD2 LYS 1 HD2 LYS 1 20.172 -7.320 7.492
10 HD3 LYS 1 HD3 LYS 1 21.056 -6.968 6.003
11 HE2 LYS 1 HE2 LYS 1 19.920 -4.829 5.800
12 HE3 LYS 1 HE3 LYS 1 18.955 -5.157 7.232
13 HZ1 LYS 1 HZ1 LYS 1 21.912 -4.873 7.198
14 HZ2 LYS 1 HZ2 LYS 1 20.959 -5.171 8.542
15 HZ3 LYS 1 HZ3 LYS 1 20.803 -3.718 7.709
16 H LYS 2 H LYS 2 16.490 -8.495 3.098
17 HA LYS 2 HA LYS 2 16.640 -5.733 2.300
18 HB2 LYS 2 HB2 LYS 2 18.218 -7.133 1.221
19 HB3 LYS 2 HB3 LYS 2 16.999 -8.300 0.753
20 HG2 LYS 2 HG2 LYS 2 17.667 -7.031 -1.179
21 HG3 LYS 2 HG3 LYS 2 16.010 -6.626 -0.758
22 HD2 LYS 2 HD2 LYS 2 17.158 -4.606 -1.356
23 HD3 LYS 2 HD3 LYS 2 16.858 -4.574 0.374
24 HE2 LYS 2 HE2 LYS 2 19.134 -5.159 0.844
25 HE3 LYS 2 HE3 LYS 2 19.467 -5.430 -0.865
26 HZ1 LYS 2 HZ1 LYS 2 19.040 -3.089 -1.270
27 HZ2 LYS 2 HZ2 LYS 2 20.281 -3.277 -0.165
28 HZ3 LYS 2 HZ3 LYS 2 18.778 -2.800 0.362
29 H LYS 3 H LYS 3 14.854 -4.724 2.286
30 HA LYS 3 HA LYS 3 12.466 -5.818 0.986
31 HB2 LYS 3 HB2 LYS 3 12.270 -4.758 3.253
32 HB3 LYS 3 HB3 LYS 3 12.955 -3.288 2.586
33 HG2 LYS 3 HG2 LYS 3 10.608 -3.000 2.833
34 HG3 LYS 3 HG3 LYS 3 10.958 -3.101 1.116
35 HD2 LYS 3 HD2 LYS 3 10.161 -5.366 1.023
36 HD3 LYS 3 HD3 LYS 3 9.980 -5.430 2.778
37 HE2 LYS 3 HE2 LYS 3 8.295 -3.629 2.642
38 HE3 LYS 3 HE3 LYS 3 8.447 -3.637 0.888
39 HZ1 LYS 3 HZ1 LYS 3 7.552 -5.957 2.512
40 HZ2 LYS 3 HZ2 LYS 3 7.567 -5.864 0.835
41 HZ3 LYS 3 HZ3 LYS 3 6.533 -4.892 1.735
42 H LYS 4 H LYS 4 12.203 -5.205 -1.112
43 HA LYS 4 HA LYS 4 14.019 -3.434 -2.455
44 HB2 LYS 4 HB2 LYS 4 12.616 -3.836 -4.432
45 HB3 LYS 4 HB3 LYS 4 13.048 -5.331 -3.610
46 HG2 LYS 4 HG2 LYS 4 10.785 -5.314 -2.530
47 HG3 LYS 4 HG3 LYS 4 10.411 -3.884 -3.489
48 HD2 LYS 4 HD2 LYS 4 11.215 -6.519 -4.700
49 HD3 LYS 4 HD3 LYS 4 9.544 -6.036 -4.435
50 HE2 LYS 4 HE2 LYS 4 9.837 -4.125 -5.914
51 HE3 LYS 4 HE3 LYS 4 11.540 -4.526 -6.121
52 HZ1 LYS 4 HZ1 LYS 4 10.927 -6.572 -7.174
53 HZ2 LYS 4 HZ2 LYS 4 10.169 -5.329 -7.978
54 HZ3 LYS 4 HZ3 LYS 4 9.300 -6.311 -6.912
55 H GLN 5 H GLN 5 11.879 -2.414 -0.385
56 HA GLN 5 HA GLN 5 10.881 -0.228 -2.044
57 HB2 GLN 5 HB2 GLN 5 9.442 -1.628 0.212
58 HB3 GLN 5 HB3 GLN 5 8.853 -0.228 -0.656
59 HG2 GLN 5 HG2 GLN 5 8.626 -1.462 -2.679
60 HG3 GLN 5 HG3 GLN 5 9.485 -2.835 -1.984
61 HE21 GLN 5 HE21 GLN 5 7.097 -1.056 -0.187
62 HE22 GLN 5 HE22 GLN 5 5.930 -2.339 -0.176
63 H SER 6 H SER 6 11.739 1.597 -1.396
64 HA SER 6 HA SER 6 12.888 2.114 1.149
65 HB2 SER 6 HB2 SER 6 11.847 4.064 -0.913
66 HB3 SER 6 HB3 SER 6 13.120 4.358 0.275
67 HG SER 6 HG SER 6 14.339 3.813 -1.331
68 H TRP 7 H TRP 7 11.971 4.098 2.446
69 HA TRP 7 HA TRP 7 9.595 3.354 3.630
70 HB2 TRP 7 HB2 TRP 7 9.630 5.535 4.800
71 HB3 TRP 7 HB3 TRP 7 11.207 4.765 4.778
72 HD1 TRP 7 HD1 TRP 7 13.134 5.968 3.365
73 HE1 TRP 7 HE1 TRP 7 13.377 8.353 2.470
74 HE3 TRP 7 HE3 TRP 7 8.293 7.510 3.840
75 HZ2 TRP 7 HZ2 TRP 7 11.757 10.605 2.032
76 HZ3 TRP 7 HZ3 TRP 7 7.726 9.810 3.165
77 HH2 TRP 7 HH2 TRP 7 9.418 11.320 2.283
78 H TYR 8 H TYR 8 10.039 5.721 1.108
79 HA TYR 8 HA TYR 8 7.260 6.497 1.102
80 HB2 TYR 8 HB2 TYR 8 7.854 7.857 -0.945
81 HB3 TYR 8 HB3 TYR 8 8.826 8.218 0.466
82 HD1 TYR 8 HD1 TYR 8 11.163 7.763 0.508
83 HD2 TYR 8 HD2 TYR 8 8.847 6.641 -2.863
84 HE1 TYR 8 HE1 TYR 8 13.221 7.364 -0.747
85 HE2 TYR 8 HE2 TYR 8 10.905 6.223 -4.148
86 HH TYR 8 HH TYR 8 13.960 6.086 -2.636
87 H ALA 9 H ALA 9 9.113 4.176 -0.432
88 HA ALA 9 HA ALA 9 7.346 3.675 -2.646
89 HB1 ALA 9 HB1 ALA 9 9.475 1.897 -1.461
90 HB2 ALA 9 HB2 ALA 9 9.723 3.037 -2.780
91 HB3 ALA 9 HB3 ALA 9 8.670 1.636 -3.003
92 H ALA 10 H ALA 10 7.903 2.329 0.587
93 HA ALA 10 HA ALA 10 5.932 0.354 0.304
94 HB1 ALA 10 HB1 ALA 10 7.195 1.508 2.784
95 HB2 ALA 10 HB2 ALA 10 7.797 0.122 1.882
96 HB3 ALA 10 HB3 ALA 10 6.233 0.035 2.700
97 H ALA 11 H ALA 11 6.049 3.454 2.065
98 HA ALA 11 HA ALA 11 3.438 3.361 3.042
99 HB1 ALA 11 HB1 ALA 11 4.934 5.847 2.243
100 HB2 ALA 11 HB2 ALA 11 5.129 4.998 3.778
101 HB3 ALA 11 HB3 ALA 11 3.583 5.744 3.371
102 H GLY 12 H GLY 12 4.545 4.527 -0.072
103 HA2 GLY 12 HA2 GLY 12 2.098 5.624 -0.859
104 HA3 GLY 12 HA3 GLY 12 3.426 5.151 -1.929
105 H ASP 13 H ASP 13 3.562 2.462 -1.446
106 HA ASP 13 HA ASP 13 1.265 1.631 -2.961
107 HB2 ASP 13 HB2 ASP 13 3.617 0.697 -3.284
108 HB3 ASP 13 HB3 ASP 13 3.360 -0.168 -1.784
109 H ALA 14 H ALA 14 2.547 0.980 0.141
110 HA ALA 14 HA ALA 14 0.909 -1.087 0.968
111 HB1 ALA 14 HB1 ALA 14 2.145 0.988 2.763
112 HB2 ALA 14 HB2 ALA 14 3.010 -0.333 2.052
113 HB3 ALA 14 HB3 ALA 14 1.706 -0.669 3.212
114 H ILE 15 H ILE 15 0.416 2.379 1.403
115 HA ILE 15 HA ILE 15 -1.880 1.981 3.050
116 HB ILE 15 HB ILE 15 -1.005 4.467 1.554
117 HG12 ILE 15 HG12 ILE 15 -0.768 3.764 4.481
118 HG13 ILE 15 HG13 ILE 15 0.542 3.619 3.309
119 HG21 ILE 15 HG21 ILE 15 -2.535 5.679 3.059
120 HG22 ILE 15 HG22 ILE 15 -3.059 4.128 3.736
121 HG23 ILE 15 HG23 ILE 15 -3.418 4.511 2.056
122 HD11 ILE 15 HD11 ILE 15 0.409 6.007 2.906
123 HD12 ILE 15 HD12 ILE 15 0.771 5.643 4.594
124 HD13 ILE 15 HD13 ILE 15 -0.858 6.157 4.123
125 H VAL 16 H VAL 16 -1.371 2.680 -0.273
126 HA VAL 16 HA VAL 16 -4.093 2.931 -1.015
127 HB VAL 16 HB VAL 16 -1.737 2.112 -2.727
128 HG11 VAL 16 HG11 VAL 16 -4.430 3.181 -3.540
129 HG12 VAL 16 HG12 VAL 16 -3.847 1.530 -3.737
130 HG13 VAL 16 HG13 VAL 16 -3.079 2.844 -4.639
131 HG21 VAL 16 HG21 VAL 16 -1.705 4.494 -3.419
132 HG22 VAL 16 HG22 VAL 16 -1.317 4.249 -1.734
133 HG23 VAL 16 HG23 VAL 16 -2.926 4.833 -2.188
134 H SER 17 H SER 17 -1.891 0.286 -0.893
135 HA SER 17 HA SER 17 -3.629 -1.559 -2.161
136 HB2 SER 17 HB2 SER 17 -1.038 -1.899 -0.672
137 HB3 SER 17 HB3 SER 17 -1.903 -3.247 -1.434
138 HG SER 17 HG SER 17 -0.158 -1.783 -2.623
139 H PHE 18 H PHE 18 -3.025 -0.537 1.085
140 HA PHE 18 HA PHE 18 -4.473 -2.617 2.330
141 HB2 PHE 18 HB2 PHE 18 -3.268 -0.089 3.026
142 HB3 PHE 18 HB3 PHE 18 -4.719 -0.380 3.946
143 HD1 PHE 18 HD1 PHE 18 -1.438 -0.448 4.291
144 HD2 PHE 18 HD2 PHE 18 -4.627 -3.222 4.448
145 HE1 PHE 18 HE1 PHE 18 -0.068 -1.913 5.746
146 HE2 PHE 18 HE2 PHE 18 -3.282 -4.714 5.905
147 HZ PHE 18 HZ PHE 18 -0.992 -4.049 6.552
148 H GLY 19 H GLY 19 -5.236 0.564 1.170
149 HA2 GLY 19 HA2 GLY 19 -7.955 0.673 1.863
150 HA3 GLY 19 HA3 GLY 19 -7.208 1.518 0.509
151 H GLU 20 H GLU 20 -6.450 -0.285 -1.174
152 HA GLU 20 HA GLU 20 -8.784 -1.183 -2.452
153 HB2 GLU 20 HB2 GLU 20 -5.891 -1.919 -2.898
154 HB3 GLU 20 HB3 GLU 20 -7.202 -2.414 -3.957
155 HG2 GLU 20 HG2 GLU 20 -6.410 0.420 -3.363
156 HG3 GLU 20 HG3 GLU 20 -5.973 -0.474 -4.817
157 H GLY 21 H GLY 21 -6.507 -2.732 -0.434
158 HA2 GLY 21 HA2 GLY 21 -7.321 -5.408 -0.696
159 HA3 GLY 21 HA3 GLY 21 -6.481 -4.738 0.697
160 H PHE 22 H PHE 22 -8.483 -2.800 1.233
161 HA PHE 22 HA PHE 22 -10.369 -4.380 2.695
162 HB2 PHE 22 HB2 PHE 22 -9.519 -2.353 3.692
163 HB3 PHE 22 HB3 PHE 22 -10.025 -1.411 2.301
164 HD1 PHE 22 HD1 PHE 22 -12.035 -0.309 2.333
165 HD2 PHE 22 HD2 PHE 22 -11.391 -3.520 5.028
166 HE1 PHE 22 HE1 PHE 22 -14.142 0.233 3.447
167 HE2 PHE 22 HE2 PHE 22 -13.516 -2.982 6.177
168 HZ PHE 22 HZ PHE 22 -14.892 -1.104 5.381
169 H LEU 23 H LEU 23 -10.436 -2.216 -0.078
170 HA LEU 23 HA LEU 23 -13.209 -2.203 -0.496
171 HB2 LEU 23 HB2 LEU 23 -10.995 -1.634 -2.439
172 HB3 LEU 23 HB3 LEU 23 -12.682 -1.282 -2.724
173 HG LEU 23 HG LEU 23 -10.919 -0.044 -0.629
174 HD11 LEU 23 HD11 LEU 23 -11.337 2.014 -1.880
175 HD12 LEU 23 HD12 LEU 23 -12.236 1.076 -3.085
176 HD13 LEU 23 HD13 LEU 23 -10.513 0.788 -2.846
177 HD21 LEU 23 HD21 LEU 23 -12.856 1.376 -0.112
178 HD22 LEU 23 HD22 LEU 23 -13.125 -0.325 0.269
179 HD23 LEU 23 HD23 LEU 23 -13.849 0.376 -1.182
180 H ASN 24 H ASN 24 -11.128 -4.685 -0.976
181 HA ASN 24 HA ASN 24 -12.110 -5.944 -3.292
182 HB2 ASN 24 HB2 ASN 24 -11.007 -7.896 -2.619
183 HB3 ASN 24 HB3 ASN 24 -10.046 -6.576 -1.967
184 HD21 ASN 24 HD21 ASN 24 -11.886 -6.167 0.479
185 HD22 ASN 24 HD22 ASN 24 -11.544 -7.577 1.389
186 H ALA 25 H ALA 25 -13.736 -5.377 -0.404
187 HA ALA 25 HA ALA 25 -15.625 -7.572 -0.863
188 HB1 ALA 25 HB1 ALA 25 -15.067 -6.027 1.664
189 HB2 ALA 25 HB2 ALA 25 -14.487 -7.652 1.320
190 HB3 ALA 25 HB3 ALA 25 -16.218 -7.351 1.499
191 H TRP 26 H TRP 26 -15.283 -4.663 -1.906
192 HA TRP 26 HA TRP 26 -18.038 -3.853 -1.370
193 HB2 TRP 26 HB2 TRP 26 -15.570 -2.095 -1.608
194 HB3 TRP 26 HB3 TRP 26 -17.213 -1.475 -1.707
195 HD1 TRP 26 HD1 TRP 26 -14.851 -3.221 0.804
196 HE1 TRP 26 HE1 TRP 26 -15.634 -2.659 3.175
197 HE3 TRP 26 HE3 TRP 26 -19.103 -0.614 -0.345
198 HZ2 TRP 26 HZ2 TRP 26 -17.748 -1.253 4.409
199 HZ3 TRP 26 HZ3 TRP 26 -20.444 0.311 1.498
200 HH2 TRP 26 HH2 TRP 26 -19.782 -0.004 3.821
Start of MODEL 7
1 H1 LYS 1 HT1 LYS 1 24.491 1.542 -3.043
2 H2 LYS 1 HT2 LYS 1 23.920 1.615 -1.450
3 H3 LYS 1 HT3 LYS 1 24.073 3.016 -2.339
4 HA LYS 1 HA LYS 1 22.305 2.398 -3.791
5 HB2 LYS 1 HB2 LYS 1 22.132 -0.075 -2.053
6 HB3 LYS 1 HB3 LYS 1 21.003 0.375 -3.326
7 HG2 LYS 1 HG2 LYS 1 22.861 0.195 -4.960
8 HG3 LYS 1 HG3 LYS 1 23.891 -0.392 -3.652
9 HD2 LYS 1 HD2 LYS 1 22.382 -2.273 -3.306
10 HD3 LYS 1 HD3 LYS 1 21.344 -1.684 -4.605
11 HE2 LYS 1 HE2 LYS 1 24.197 -2.630 -4.863
12 HE3 LYS 1 HE3 LYS 1 22.739 -3.432 -5.443
13 HZ1 LYS 1 HZ1 LYS 1 22.372 -1.505 -6.912
14 HZ2 LYS 1 HZ2 LYS 1 23.818 -2.293 -7.237
15 HZ3 LYS 1 HZ3 LYS 1 23.826 -0.847 -6.404
16 H LYS 2 H LYS 2 20.167 2.905 -3.253
17 HA LYS 2 HA LYS 2 19.932 3.572 -0.447
18 HB2 LYS 2 HB2 LYS 2 20.695 5.541 -1.714
19 HB3 LYS 2 HB3 LYS 2 19.236 5.442 -2.695
20 HG2 LYS 2 HG2 LYS 2 17.881 5.829 -0.747
21 HG3 LYS 2 HG3 LYS 2 19.325 5.857 0.270
22 HD2 LYS 2 HD2 LYS 2 20.146 7.783 -1.065
23 HD3 LYS 2 HD3 LYS 2 18.604 7.786 -1.929
24 HE2 LYS 2 HE2 LYS 2 18.562 9.414 -0.143
25 HE3 LYS 2 HE3 LYS 2 17.432 8.096 0.181
26 HZ1 LYS 2 HZ1 LYS 2 18.720 8.655 2.179
27 HZ2 LYS 2 HZ2 LYS 2 20.138 8.382 1.344
28 HZ3 LYS 2 HZ3 LYS 2 19.122 7.102 1.650
29 H LYS 3 H LYS 3 18.550 2.007 -0.082
30 HA LYS 3 HA LYS 3 15.921 2.617 -1.085
31 HB2 LYS 3 HB2 LYS 3 15.251 0.182 -0.948
32 HB3 LYS 3 HB3 LYS 3 16.359 0.585 -2.229
33 HG2 LYS 3 HG2 LYS 3 17.048 -1.508 -1.384
34 HG3 LYS 3 HG3 LYS 3 18.206 -0.340 -0.781
35 HD2 LYS 3 HD2 LYS 3 17.203 -0.380 1.401
36 HD3 LYS 3 HD3 LYS 3 15.855 -1.345 0.816
37 HE2 LYS 3 HE2 LYS 3 17.498 -2.696 2.050
38 HE3 LYS 3 HE3 LYS 3 17.313 -3.221 0.370
39 HZ1 LYS 3 HZ1 LYS 3 19.522 -1.552 1.450
40 HZ2 LYS 3 HZ2 LYS 3 19.371 -2.096 -0.153
41 HZ3 LYS 3 HZ3 LYS 3 19.594 -3.183 1.084
42 H LYS 4 H LYS 4 14.265 2.685 0.310
43 HA LYS 4 HA LYS 4 15.108 2.693 3.114
44 HB2 LYS 4 HB2 LYS 4 13.358 4.334 3.503
45 HB3 LYS 4 HB3 LYS 4 14.433 4.890 2.238
46 HG2 LYS 4 HG2 LYS 4 12.798 4.315 0.539
47 HG3 LYS 4 HG3 LYS 4 11.740 3.614 1.764
48 HD2 LYS 4 HD2 LYS 4 10.913 5.812 1.194
49 HD3 LYS 4 HD3 LYS 4 11.576 5.870 2.817
50 HE2 LYS 4 HE2 LYS 4 13.644 6.851 1.939
51 HE3 LYS 4 HE3 LYS 4 12.974 6.790 0.307
52 HZ1 LYS 4 HZ1 LYS 4 11.929 8.416 2.581
53 HZ2 LYS 4 HZ2 LYS 4 11.229 8.337 1.050
54 HZ3 LYS 4 HZ3 LYS 4 12.738 8.993 1.234
55 H GLN 5 H GLN 5 13.011 1.144 0.850
56 HA GLN 5 HA GLN 5 11.832 -0.300 3.006
57 HB2 GLN 5 HB2 GLN 5 9.542 0.088 2.246
58 HB3 GLN 5 HB3 GLN 5 10.303 1.594 2.708
59 HG2 GLN 5 HG2 GLN 5 10.737 2.033 0.270
60 HG3 GLN 5 HG3 GLN 5 9.806 0.566 -0.052
61 HE21 GLN 5 HE21 GLN 5 7.637 0.584 0.158
62 HE22 GLN 5 HE22 GLN 5 6.711 2.040 0.388
63 H SER 6 H SER 6 10.666 -2.076 2.170
64 HA SER 6 HA SER 6 11.889 -3.089 -0.263
65 HB2 SER 6 HB2 SER 6 12.062 -4.466 1.797
66 HB3 SER 6 HB3 SER 6 10.308 -4.595 1.848
67 HG SER 6 HG SER 6 11.874 -6.238 0.698
68 H TRP 7 H TRP 7 10.260 -4.743 -1.362
69 HA TRP 7 HA TRP 7 8.291 -3.161 -2.599
70 HB2 TRP 7 HB2 TRP 7 7.658 -5.318 -3.778
71 HB3 TRP 7 HB3 TRP 7 9.342 -4.848 -3.931
72 HD1 TRP 7 HD1 TRP 7 11.154 -6.395 -2.727
73 HE1 TRP 7 HE1 TRP 7 11.071 -8.796 -1.867
74 HE3 TRP 7 HE3 TRP 7 6.074 -7.053 -2.693
75 HZ2 TRP 7 HZ2 TRP 7 9.100 -10.737 -1.244
76 HZ3 TRP 7 HZ3 TRP 7 5.180 -9.220 -1.949
77 HH2 TRP 7 HH2 TRP 7 6.655 -11.016 -1.238
78 H TYR 8 H TYR 8 8.153 -5.597 -0.126
79 HA TYR 8 HA TYR 8 5.307 -5.761 -0.167
80 HB2 TYR 8 HB2 TYR 8 5.544 -7.126 1.928
81 HB3 TYR 8 HB3 TYR 8 6.443 -7.734 0.554
82 HD1 TYR 8 HD1 TYR 8 8.758 -8.099 0.719
83 HD2 TYR 8 HD2 TYR 8 6.793 -5.844 3.741
84 HE1 TYR 8 HE1 TYR 8 10.791 -8.184 2.099
85 HE2 TYR 8 HE2 TYR 8 8.796 -5.912 5.114
86 HH TYR 8 HH TYR 8 10.769 -7.408 5.332
87 H ALA 9 H ALA 9 7.406 -3.541 1.077
88 HA ALA 9 HA ALA 9 5.938 -2.723 3.352
89 HB1 ALA 9 HB1 ALA 9 7.238 -0.630 3.236
90 HB2 ALA 9 HB2 ALA 9 7.842 -1.087 1.644
91 HB3 ALA 9 HB3 ALA 9 8.275 -2.044 3.058
92 H ALA 10 H ALA 10 6.090 -1.628 -0.042
93 HA ALA 10 HA ALA 10 3.987 0.258 0.276
94 HB1 ALA 10 HB1 ALA 10 4.170 0.472 -2.154
95 HB2 ALA 10 HB2 ALA 10 5.253 -0.921 -2.197
96 HB3 ALA 10 HB3 ALA 10 5.761 0.567 -1.401
97 H ALA 11 H ALA 11 4.383 -2.934 -1.211
98 HA ALA 11 HA ALA 11 1.835 -3.247 -2.279
99 HB1 ALA 11 HB1 ALA 11 2.260 -5.597 -2.294
100 HB2 ALA 11 HB2 ALA 11 3.523 -5.430 -1.084
101 HB3 ALA 11 HB3 ALA 11 3.758 -4.758 -2.698
102 H GLY 12 H GLY 12 2.892 -4.045 0.975
103 HA2 GLY 12 HA2 GLY 12 0.491 -5.216 1.783
104 HA3 GLY 12 HA3 GLY 12 1.670 -4.459 2.857
105 H ASP 13 H ASP 13 1.623 -1.903 2.206
106 HA ASP 13 HA ASP 13 -0.790 -1.042 3.457
107 HB2 ASP 13 HB2 ASP 13 1.483 0.057 3.741
108 HB3 ASP 13 HB3 ASP 13 1.294 0.640 2.109
109 H ALA 14 H ALA 14 0.506 -0.780 0.323
110 HA ALA 14 HA ALA 14 -1.352 0.934 -0.899
111 HB1 ALA 14 HB1 ALA 14 -0.364 0.259 -2.989
112 HB2 ALA 14 HB2 ALA 14 0.257 -1.218 -2.245
113 HB3 ALA 14 HB3 ALA 14 0.922 0.317 -1.767
114 H ILE 15 H ILE 15 -1.313 -2.608 -0.725
115 HA ILE 15 HA ILE 15 -3.712 -2.825 -2.292
116 HB ILE 15 HB ILE 15 -2.327 -4.890 -0.548
117 HG12 ILE 15 HG12 ILE 15 -2.335 -4.580 -3.560
118 HG13 ILE 15 HG13 ILE 15 -1.041 -4.043 -2.492
119 HG21 ILE 15 HG21 ILE 15 -4.690 -5.443 -0.849
120 HG22 ILE 15 HG22 ILE 15 -3.648 -6.553 -1.742
121 HG23 ILE 15 HG23 ILE 15 -4.518 -5.270 -2.600
122 HD11 ILE 15 HD11 ILE 15 -1.988 -6.860 -2.845
123 HD12 ILE 15 HD12 ILE 15 -0.767 -6.302 -1.714
124 HD13 ILE 15 HD13 ILE 15 -0.470 -6.166 -3.461
125 H VAL 16 H VAL 16 -2.953 -2.814 1.060
126 HA VAL 16 HA VAL 16 -5.584 -3.262 2.007
127 HB VAL 16 HB VAL 16 -3.355 -1.686 3.362
128 HG11 VAL 16 HG11 VAL 16 -5.936 -2.725 4.543
129 HG12 VAL 16 HG12 VAL 16 -5.542 -1.030 4.266
130 HG13 VAL 16 HG13 VAL 16 -4.622 -1.969 5.442
131 HG21 VAL 16 HG21 VAL 16 -4.333 -4.517 3.713
132 HG22 VAL 16 HG22 VAL 16 -3.107 -3.720 4.708
133 HG23 VAL 16 HG23 VAL 16 -2.797 -4.007 3.005
134 H SER 17 H SER 17 -3.954 -0.340 1.167
135 HA SER 17 HA SER 17 -6.060 1.457 1.799
136 HB2 SER 17 HB2 SER 17 -3.589 2.012 1.464
137 HB3 SER 17 HB3 SER 17 -3.899 1.888 -0.256
138 HG SER 17 HG SER 17 -4.731 3.814 1.567
139 H PHE 18 H PHE 18 -5.192 -0.397 -0.991
140 HA PHE 18 HA PHE 18 -6.862 0.691 -2.978
141 HB2 PHE 18 HB2 PHE 18 -4.997 -1.122 -3.037
142 HB3 PHE 18 HB3 PHE 18 -6.269 -2.243 -2.642
143 HD1 PHE 18 HD1 PHE 18 -8.438 -1.892 -4.306
144 HD2 PHE 18 HD2 PHE 18 -4.384 -1.023 -5.160
145 HE1 PHE 18 HE1 PHE 18 -8.903 -2.159 -6.705
146 HE2 PHE 18 HE2 PHE 18 -4.823 -1.263 -7.576
147 HZ PHE 18 HZ PHE 18 -7.093 -1.838 -8.349
148 H GLY 19 H GLY 19 -7.317 -1.778 -0.495
149 HA2 GLY 19 HA2 GLY 19 -10.004 -2.471 -1.088
150 HA3 GLY 19 HA3 GLY 19 -9.166 -2.753 0.439
151 H GLU 20 H GLU 20 -8.561 -0.229 1.227
152 HA GLU 20 HA GLU 20 -10.842 0.784 2.446
153 HB2 GLU 20 HB2 GLU 20 -8.288 2.245 1.734
154 HB3 GLU 20 HB3 GLU 20 -9.487 2.821 2.874
155 HG2 GLU 20 HG2 GLU 20 -7.979 0.244 3.185
156 HG3 GLU 20 HG3 GLU 20 -7.448 1.773 3.881
157 H GLY 21 H GLY 21 -9.349 1.613 -0.509
158 HA2 GLY 21 HA2 GLY 21 -10.789 3.878 -1.335
159 HA3 GLY 21 HA3 GLY 21 -10.086 2.687 -2.431
160 H PHE 22 H PHE 22 -11.474 0.511 -1.798
161 HA PHE 22 HA PHE 22 -13.944 0.890 -3.198
162 HB2 PHE 22 HB2 PHE 22 -12.691 -1.172 -3.493
163 HB3 PHE 22 HB3 PHE 22 -12.766 -1.508 -1.781
164 HD1 PHE 22 HD1 PHE 22 -14.432 -2.841 -0.921
165 HD2 PHE 22 HD2 PHE 22 -14.943 -1.089 -4.760
166 HE1 PHE 22 HE1 PHE 22 -16.461 -4.144 -1.224
167 HE2 PHE 22 HE2 PHE 22 -16.994 -2.407 -5.086
168 HZ PHE 22 HZ PHE 22 -17.761 -3.939 -3.319
169 H LEU 23 H LEU 23 -13.042 0.430 0.124
170 HA LEU 23 HA LEU 23 -15.643 0.026 1.184
171 HB2 LEU 23 HB2 LEU 23 -13.141 0.870 2.580
172 HB3 LEU 23 HB3 LEU 23 -14.616 0.325 3.363
173 HG LEU 23 HG LEU 23 -12.748 -1.297 1.652
174 HD11 LEU 23 HD11 LEU 23 -12.093 -1.114 3.964
175 HD12 LEU 23 HD12 LEU 23 -12.669 -2.745 3.600
176 HD13 LEU 23 HD13 LEU 23 -13.710 -1.622 4.463
177 HD21 LEU 23 HD21 LEU 23 -15.493 -2.035 2.628
178 HD22 LEU 23 HD22 LEU 23 -14.330 -3.171 1.928
179 HD23 LEU 23 HD23 LEU 23 -14.969 -1.845 0.953
180 H ASN 24 H ASN 24 -14.370 2.777 -0.013
181 HA ASN 24 HA ASN 24 -15.460 4.794 1.580
182 HB2 ASN 24 HB2 ASN 24 -15.273 6.210 -0.282
183 HB3 ASN 24 HB3 ASN 24 -14.137 4.939 -0.693
184 HD21 ASN 24 HD21 ASN 24 -14.872 3.283 -2.227
185 HD22 ASN 24 HD22 ASN 24 -16.048 3.718 -3.419
186 H ALA 25 H ALA 25 -17.018 2.519 -0.600
187 HA ALA 25 HA ALA 25 -19.644 3.698 -0.061
188 HB1 ALA 25 HB1 ALA 25 -19.027 3.699 -2.408
189 HB2 ALA 25 HB2 ALA 25 -20.362 2.579 -2.122
190 HB3 ALA 25 HB3 ALA 25 -18.719 1.966 -2.344
191 H TRP 26 H TRP 26 -17.623 0.993 0.400
192 HA TRP 26 HA TRP 26 -17.754 -0.959 1.439
193 HB2 TRP 26 HB2 TRP 26 -20.354 0.152 2.388
194 HB3 TRP 26 HB3 TRP 26 -19.778 -1.427 2.933
195 HD1 TRP 26 HD1 TRP 26 -19.397 2.281 3.511
196 HE1 TRP 26 HE1 TRP 26 -17.758 2.696 5.446
197 HE3 TRP 26 HE3 TRP 26 -17.593 -2.451 4.050
198 HZ2 TRP 26 HZ2 TRP 26 -15.918 1.216 6.986
199 HZ3 TRP 26 HZ3 TRP 26 -15.890 -2.881 5.765
200 HH2 TRP 26 HH2 TRP 26 -15.067 -1.089 7.214
Start of MODEL 8
1 H1 LYS 1 HT1 LYS 1 21.934 -4.288 -1.365
2 H2 LYS 1 HT2 LYS 1 20.769 -4.034 -0.191
3 H3 LYS 1 HT3 LYS 1 20.419 -4.972 -1.557
4 HA LYS 1 HA LYS 1 21.951 -6.617 -0.962
5 HB2 LYS 1 HB2 LYS 1 22.353 -4.995 1.544
6 HB3 LYS 1 HB3 LYS 1 22.986 -6.610 1.293
7 HG2 LYS 1 HG2 LYS 1 24.315 -5.749 -0.610
8 HG3 LYS 1 HG3 LYS 1 23.721 -4.134 -0.246
9 HD2 LYS 1 HD2 LYS 1 25.404 -5.879 1.550
10 HD3 LYS 1 HD3 LYS 1 25.923 -4.433 0.688
11 HE2 LYS 1 HE2 LYS 1 24.336 -3.093 1.996
12 HE3 LYS 1 HE3 LYS 1 23.860 -4.537 2.883
13 HZ1 LYS 1 HZ1 LYS 1 25.490 -3.250 4.121
14 HZ2 LYS 1 HZ2 LYS 1 26.552 -3.326 2.829
15 HZ3 LYS 1 HZ3 LYS 1 26.180 -4.721 3.669
16 H LYS 2 H LYS 2 20.142 -5.225 1.867
17 HA LYS 2 HA LYS 2 18.757 -7.796 1.791
18 HB2 LYS 2 HB2 LYS 2 18.470 -7.836 4.118
19 HB3 LYS 2 HB3 LYS 2 20.138 -7.406 3.838
20 HG2 LYS 2 HG2 LYS 2 17.925 -5.560 4.641
21 HG3 LYS 2 HG3 LYS 2 19.161 -6.204 5.725
22 HD2 LYS 2 HD2 LYS 2 20.833 -5.008 4.203
23 HD3 LYS 2 HD3 LYS 2 19.424 -4.195 3.508
24 HE2 LYS 2 HE2 LYS 2 20.350 -4.102 6.379
25 HE3 LYS 2 HE3 LYS 2 20.380 -2.786 5.218
26 HZ1 LYS 2 HZ1 LYS 2 17.891 -2.892 5.211
27 HZ2 LYS 2 HZ2 LYS 2 18.538 -2.519 6.712
28 HZ3 LYS 2 HZ3 LYS 2 17.980 -4.057 6.423
29 H LYS 3 H LYS 3 18.187 -4.744 0.991
30 HA LYS 3 HA LYS 3 15.471 -4.629 1.945
31 HB2 LYS 3 HB2 LYS 3 15.242 -2.623 0.565
32 HB3 LYS 3 HB3 LYS 3 16.680 -2.527 1.565
33 HG2 LYS 3 HG2 LYS 3 18.066 -3.134 -0.342
34 HG3 LYS 3 HG3 LYS 3 16.634 -3.267 -1.356
35 HD2 LYS 3 HD2 LYS 3 17.502 -0.749 0.057
36 HD3 LYS 3 HD3 LYS 3 17.887 -1.115 -1.623
37 HE2 LYS 3 HE2 LYS 3 15.470 -1.182 -2.119
38 HE3 LYS 3 HE3 LYS 3 15.137 -0.769 -0.434
39 HZ1 LYS 3 HZ1 LYS 3 15.082 1.167 -1.939
40 HZ2 LYS 3 HZ2 LYS 3 16.694 0.925 -2.306
41 HZ3 LYS 3 HZ3 LYS 3 16.270 1.345 -0.752
42 H LYS 4 H LYS 4 13.665 -5.011 0.783
43 HA LYS 4 HA LYS 4 14.054 -6.452 -1.740
44 HB2 LYS 4 HB2 LYS 4 11.780 -7.427 -1.330
45 HB3 LYS 4 HB3 LYS 4 12.968 -7.858 -0.111
46 HG2 LYS 4 HG2 LYS 4 12.008 -6.329 1.458
47 HG3 LYS 4 HG3 LYS 4 10.952 -5.646 0.220
48 HD2 LYS 4 HD2 LYS 4 9.747 -7.148 1.732
49 HD3 LYS 4 HD3 LYS 4 9.733 -7.746 0.081
50 HE2 LYS 4 HE2 LYS 4 11.466 -9.355 0.603
51 HE3 LYS 4 HE3 LYS 4 11.631 -8.698 2.233
52 HZ1 LYS 4 HZ1 LYS 4 9.373 -9.409 2.693
53 HZ2 LYS 4 HZ2 LYS 4 10.301 -10.721 2.187
54 HZ3 LYS 4 HZ3 LYS 4 9.206 -10.025 1.132
55 H GLN 5 H GLN 5 12.651 -3.666 -0.271
56 HA GLN 5 HA GLN 5 11.644 -2.717 -2.800
57 HB2 GLN 5 HB2 GLN 5 9.948 -3.065 -0.317
58 HB3 GLN 5 HB3 GLN 5 9.503 -2.040 -1.667
59 HG2 GLN 5 HG2 GLN 5 9.276 -3.914 -3.107
60 HG3 GLN 5 HG3 GLN 5 9.993 -4.990 -1.917
61 HE21 GLN 5 HE21 GLN 5 7.717 -2.517 -1.048
62 HE22 GLN 5 HE22 GLN 5 6.441 -3.580 -0.592
63 H SER 6 H SER 6 11.495 -0.525 -2.767
64 HA SER 6 HA SER 6 12.813 0.845 -0.585
65 HB2 SER 6 HB2 SER 6 11.763 1.900 -3.229
66 HB3 SER 6 HB3 SER 6 12.759 2.805 -2.091
67 HG SER 6 HG SER 6 13.388 0.743 -3.803
68 H TRP 7 H TRP 7 11.737 2.985 0.090
69 HA TRP 7 HA TRP 7 9.403 2.383 1.438
70 HB2 TRP 7 HB2 TRP 7 9.274 4.784 2.037
71 HB3 TRP 7 HB3 TRP 7 10.889 4.133 2.231
72 HD1 TRP 7 HD1 TRP 7 12.777 5.061 0.562
73 HE1 TRP 7 HE1 TRP 7 12.924 7.202 -0.821
74 HE3 TRP 7 HE3 TRP 7 7.867 6.393 0.668
75 HZ2 TRP 7 HZ2 TRP 7 11.162 9.229 -1.758
76 HZ3 TRP 7 HZ3 TRP 7 7.174 8.432 -0.486
77 HH2 TRP 7 HH2 TRP 7 8.781 9.823 -1.672
78 H TYR 8 H TYR 8 9.762 4.055 -1.595
79 HA TYR 8 HA TYR 8 6.979 4.661 -1.762
80 HB2 TYR 8 HB2 TYR 8 7.517 5.378 -4.135
81 HB3 TYR 8 HB3 TYR 8 8.397 6.210 -2.853
82 HD1 TYR 8 HD1 TYR 8 10.718 6.205 -2.815
83 HD2 TYR 8 HD2 TYR 8 8.679 3.556 -5.423
84 HE1 TYR 8 HE1 TYR 8 12.854 5.662 -3.913
85 HE2 TYR 8 HE2 TYR 8 10.777 2.989 -6.528
86 HH TYR 8 HH TYR 8 12.957 4.126 -6.854
87 H ALA 9 H ALA 9 8.854 2.026 -2.660
88 HA ALA 9 HA ALA 9 7.072 0.974 -4.633
89 HB1 ALA 9 HB1 ALA 9 8.399 -1.138 -4.383
90 HB2 ALA 9 HB2 ALA 9 9.241 -0.403 -3.026
91 HB3 ALA 9 HB3 ALA 9 9.407 0.285 -4.638
92 H ALA 10 H ALA 10 7.584 0.665 -1.178
93 HA ALA 10 HA ALA 10 5.554 -1.284 -0.714
94 HB1 ALA 10 HB1 ALA 10 6.901 0.700 1.127
95 HB2 ALA 10 HB2 ALA 10 7.456 -0.946 0.821
96 HB3 ALA 10 HB3 ALA 10 5.899 -0.669 1.609
97 H ALA 11 H ALA 11 5.852 2.210 -0.247
98 HA ALA 11 HA ALA 11 3.292 2.704 0.677
99 HB1 ALA 11 HB1 ALA 11 3.609 4.993 0.029
100 HB2 ALA 11 HB2 ALA 11 4.914 4.547 -1.071
101 HB3 ALA 11 HB3 ALA 11 5.130 4.371 0.669
102 H GLY 12 H GLY 12 4.388 2.539 -2.672
103 HA2 GLY 12 HA2 GLY 12 2.085 3.336 -3.939
104 HA3 GLY 12 HA3 GLY 12 3.270 2.203 -4.580
105 H ASP 13 H ASP 13 3.053 0.060 -3.030
106 HA ASP 13 HA ASP 13 0.538 -1.062 -3.900
107 HB2 ASP 13 HB2 ASP 13 2.716 -2.384 -3.731
108 HB3 ASP 13 HB3 ASP 13 2.506 -2.288 -1.998
109 H ALA 14 H ALA 14 2.001 -0.313 -0.921
110 HA ALA 14 HA ALA 14 0.203 -1.334 0.879
111 HB1 ALA 14 HB1 ALA 14 1.323 -0.010 2.543
112 HB2 ALA 14 HB2 ALA 14 1.798 1.169 1.320
113 HB3 ALA 14 HB3 ALA 14 2.530 -0.407 1.297
114 H ILE 15 H ILE 15 0.210 1.898 -0.566
115 HA ILE 15 HA ILE 15 -2.095 2.698 0.913
116 HB ILE 15 HB ILE 15 -0.765 4.029 -1.457
117 HG12 ILE 15 HG12 ILE 15 -0.624 4.729 1.478
118 HG13 ILE 15 HG13 ILE 15 0.588 3.785 0.616
119 HG21 ILE 15 HG21 ILE 15 -2.009 6.045 -0.816
120 HG22 ILE 15 HG22 ILE 15 -2.798 5.155 0.480
121 HG23 ILE 15 HG23 ILE 15 -3.137 4.739 -1.199
122 HD11 ILE 15 HD11 ILE 15 1.289 6.071 0.808
123 HD12 ILE 15 HD12 ILE 15 -0.210 6.607 0.031
124 HD13 ILE 15 HD13 ILE 15 0.957 5.633 -0.875
125 H VAL 16 H VAL 16 -1.541 1.596 -2.300
126 HA VAL 16 HA VAL 16 -4.208 1.905 -3.228
127 HB VAL 16 HB VAL 16 -2.166 -0.157 -4.114
128 HG11 VAL 16 HG11 VAL 16 -4.729 0.704 -5.456
129 HG12 VAL 16 HG12 VAL 16 -4.405 -0.864 -4.711
130 HG13 VAL 16 HG13 VAL 16 -3.518 -0.379 -6.155
131 HG21 VAL 16 HG21 VAL 16 -2.893 2.532 -5.295
132 HG22 VAL 16 HG22 VAL 16 -1.800 1.355 -6.027
133 HG23 VAL 16 HG23 VAL 16 -1.378 2.095 -4.495
134 H SER 17 H SER 17 -2.600 -0.726 -1.688
135 HA SER 17 HA SER 17 -4.839 -2.466 -1.603
136 HB2 SER 17 HB2 SER 17 -2.288 -2.429 0.007
137 HB3 SER 17 HB3 SER 17 -3.437 -3.777 -0.066
138 HG SER 17 HG SER 17 -1.398 -3.423 -1.691
139 H PHE 18 H PHE 18 -3.745 0.153 0.346
140 HA PHE 18 HA PHE 18 -5.198 -0.412 2.718
141 HB2 PHE 18 HB2 PHE 18 -3.257 1.299 2.156
142 HB3 PHE 18 HB3 PHE 18 -4.591 2.369 1.772
143 HD1 PHE 18 HD1 PHE 18 -2.318 1.636 4.167
144 HD2 PHE 18 HD2 PHE 18 -6.506 2.200 3.764
145 HE1 PHE 18 HE1 PHE 18 -2.459 2.211 6.559
146 HE2 PHE 18 HE2 PHE 18 -6.664 2.785 6.149
147 HZ PHE 18 HZ PHE 18 -4.641 2.787 7.550
148 H GLY 19 H GLY 19 -5.701 1.563 -0.164
149 HA2 GLY 19 HA2 GLY 19 -8.269 2.522 0.462
150 HA3 GLY 19 HA3 GLY 19 -7.563 2.441 -1.153
151 H GLU 20 H GLU 20 -7.200 -0.261 -1.476
152 HA GLU 20 HA GLU 20 -9.833 -1.099 -2.020
153 HB2 GLU 20 HB2 GLU 20 -7.216 -2.537 -2.161
154 HB3 GLU 20 HB3 GLU 20 -8.720 -3.326 -2.592
155 HG2 GLU 20 HG2 GLU 20 -9.036 -1.401 -4.244
156 HG3 GLU 20 HG3 GLU 20 -7.340 -1.031 -3.928
157 H GLY 21 H GLY 21 -7.754 -1.516 0.600
158 HA2 GLY 21 HA2 GLY 21 -9.000 -3.676 1.905
159 HA3 GLY 21 HA3 GLY 21 -8.085 -2.401 2.709
160 H PHE 22 H PHE 22 -9.494 -0.238 2.091
161 HA PHE 22 HA PHE 22 -11.700 -0.248 3.864
162 HB2 PHE 22 HB2 PHE 22 -10.594 1.847 3.444
163 HB3 PHE 22 HB3 PHE 22 -10.874 1.712 1.714
164 HD1 PHE 22 HD1 PHE 22 -12.661 2.094 4.944
165 HD2 PHE 22 HD2 PHE 22 -12.744 2.667 0.733
166 HE1 PHE 22 HE1 PHE 22 -14.769 3.352 5.152
167 HE2 PHE 22 HE2 PHE 22 -14.841 3.919 0.932
168 HZ PHE 22 HZ PHE 22 -15.858 4.264 3.152
169 H LEU 23 H LEU 23 -11.463 -0.563 0.411
170 HA LEU 23 HA LEU 23 -14.150 -0.230 -0.212
171 HB2 LEU 23 HB2 LEU 23 -11.978 -1.576 -1.750
172 HB3 LEU 23 HB3 LEU 23 -13.591 -1.314 -2.391
173 HG LEU 23 HG LEU 23 -11.627 0.816 -1.553
174 HD11 LEU 23 HD11 LEU 23 -11.078 -0.211 -3.666
175 HD12 LEU 23 HD12 LEU 23 -11.663 1.439 -3.900
176 HD13 LEU 23 HD13 LEU 23 -12.718 0.071 -4.253
177 HD21 LEU 23 HD21 LEU 23 -14.446 1.061 -2.579
178 HD22 LEU 23 HD22 LEU 23 -13.302 2.395 -2.434
179 HD23 LEU 23 HD23 LEU 23 -13.846 1.542 -0.987
180 H ASN 24 H ASN 24 -12.896 -2.861 1.370
181 HA ASN 24 HA ASN 24 -14.728 -4.837 0.407
182 HB2 ASN 24 HB2 ASN 24 -14.179 -6.180 2.319
183 HB3 ASN 24 HB3 ASN 24 -12.712 -5.324 1.901
184 HD21 ASN 24 HD21 ASN 24 -13.599 -2.759 3.258
185 HD22 ASN 24 HD22 ASN 24 -13.503 -3.128 4.932
186 H ALA 25 H ALA 25 -15.155 -2.018 2.169
187 HA ALA 25 HA ALA 25 -17.719 -2.808 3.334
188 HB1 ALA 25 HB1 ALA 25 -15.848 -0.561 4.068
189 HB2 ALA 25 HB2 ALA 25 -16.003 -2.093 4.924
190 HB3 ALA 25 HB3 ALA 25 -17.358 -0.962 4.895
191 H TRP 26 H TRP 26 -17.063 -2.051 0.608
192 HA TRP 26 HA TRP 26 -17.546 0.472 -0.232
193 HB2 TRP 26 HB2 TRP 26 -18.473 -0.525 -2.338
194 HB3 TRP 26 HB3 TRP 26 -16.925 -1.176 -1.825
195 HD1 TRP 26 HD1 TRP 26 -17.001 -3.730 -0.792
196 HE1 TRP 26 HE1 TRP 26 -18.591 -5.687 -1.325
197 HE3 TRP 26 HE3 TRP 26 -20.824 -1.134 -2.980
198 HZ2 TRP 26 HZ2 TRP 26 -21.100 -6.080 -2.489
199 HZ3 TRP 26 HZ3 TRP 26 -22.788 -2.387 -3.764
200 HH2 TRP 26 HH2 TRP 26 -22.916 -4.805 -3.536
Start of MODEL 9
1 H1 LYS 1 HT1 LYS 1 17.570 -9.326 6.329
2 H2 LYS 1 HT2 LYS 1 17.128 -9.798 4.768
3 H3 LYS 1 HT3 LYS 1 16.146 -8.759 5.642
4 HA LYS 1 HA LYS 1 17.828 -7.054 5.640
5 HB2 LYS 1 HB2 LYS 1 19.268 -8.989 3.839
6 HB3 LYS 1 HB3 LYS 1 19.737 -7.333 4.123
7 HG2 LYS 1 HG2 LYS 1 20.280 -7.777 6.411
8 HG3 LYS 1 HG3 LYS 1 19.603 -9.405 6.314
9 HD2 LYS 1 HD2 LYS 1 21.938 -8.428 4.670
10 HD3 LYS 1 HD3 LYS 1 22.099 -9.340 6.174
11 HE2 LYS 1 HE2 LYS 1 20.924 -11.221 5.203
12 HE3 LYS 1 HE3 LYS 1 20.605 -10.323 3.730
13 HZ1 LYS 1 HZ1 LYS 1 22.925 -10.288 3.242
14 HZ2 LYS 1 HZ2 LYS 1 22.410 -11.854 3.478
15 HZ3 LYS 1 HZ3 LYS 1 23.321 -11.106 4.672
16 H LYS 2 H LYS 2 15.911 -8.916 3.557
17 HA LYS 2 HA LYS 2 16.207 -7.049 1.391
18 HB2 LYS 2 HB2 LYS 2 16.012 -9.482 0.911
19 HB3 LYS 2 HB3 LYS 2 14.408 -9.469 1.619
20 HG2 LYS 2 HG2 LYS 2 13.576 -8.033 -0.107
21 HG3 LYS 2 HG3 LYS 2 15.189 -7.849 -0.797
22 HD2 LYS 2 HD2 LYS 2 15.254 -10.264 -1.259
23 HD3 LYS 2 HD3 LYS 2 13.631 -10.428 -0.592
24 HE2 LYS 2 HE2 LYS 2 12.758 -8.952 -2.336
25 HE3 LYS 2 HE3 LYS 2 14.383 -8.726 -2.971
26 HZ1 LYS 2 HZ1 LYS 2 12.886 -11.296 -2.913
27 HZ2 LYS 2 HZ2 LYS 2 14.468 -11.122 -3.403
28 HZ3 LYS 2 HZ3 LYS 2 13.241 -10.375 -4.282
29 H LYS 3 H LYS 3 15.327 -5.252 1.696
30 HA LYS 3 HA LYS 3 13.026 -4.714 3.344
31 HB2 LYS 3 HB2 LYS 3 14.536 -2.932 1.407
32 HB3 LYS 3 HB3 LYS 3 13.407 -2.388 2.643
33 HG2 LYS 3 HG2 LYS 3 14.855 -3.118 4.383
34 HG3 LYS 3 HG3 LYS 3 15.941 -3.891 3.233
35 HD2 LYS 3 HD2 LYS 3 16.423 -1.662 2.263
36 HD3 LYS 3 HD3 LYS 3 15.399 -0.928 3.498
37 HE2 LYS 3 HE2 LYS 3 16.835 -1.779 5.242
38 HE3 LYS 3 HE3 LYS 3 17.813 -2.637 4.056
39 HZ1 LYS 3 HZ1 LYS 3 18.384 -0.474 3.091
40 HZ2 LYS 3 HZ2 LYS 3 18.896 -0.620 4.679
41 HZ3 LYS 3 HZ3 LYS 3 17.542 0.303 4.319
42 H LYS 4 H LYS 4 13.781 -5.239 0.088
43 HA LYS 4 HA LYS 4 12.793 -5.580 -1.819
44 HB2 LYS 4 HB2 LYS 4 10.651 -6.691 -1.963
45 HB3 LYS 4 HB3 LYS 4 11.527 -7.305 -0.584
46 HG2 LYS 4 HG2 LYS 4 10.202 -5.515 0.679
47 HG3 LYS 4 HG3 LYS 4 9.075 -5.621 -0.686
48 HD2 LYS 4 HD2 LYS 4 8.282 -7.152 0.975
49 HD3 LYS 4 HD3 LYS 4 9.072 -8.144 -0.257
50 HE2 LYS 4 HE2 LYS 4 9.734 -8.884 1.982
51 HE3 LYS 4 HE3 LYS 4 11.121 -8.212 1.141
52 HZ1 LYS 4 HZ1 LYS 4 10.693 -6.094 2.379
53 HZ2 LYS 4 HZ2 LYS 4 11.079 -7.399 3.369
54 HZ3 LYS 4 HZ3 LYS 4 9.495 -6.908 3.239
55 H GLN 5 H GLN 5 11.065 -3.238 0.070
56 HA GLN 5 HA GLN 5 11.010 -1.573 -2.228
57 HB2 GLN 5 HB2 GLN 5 8.643 -1.086 -2.097
58 HB3 GLN 5 HB3 GLN 5 8.874 -2.796 -2.396
59 HG2 GLN 5 HG2 GLN 5 8.515 -3.193 0.055
60 HG3 GLN 5 HG3 GLN 5 8.106 -1.489 0.201
61 HE21 GLN 5 HE21 GLN 5 6.814 -1.480 -2.453
62 HE22 GLN 5 HE22 GLN 5 5.326 -2.327 -2.232
63 H SER 6 H SER 6 10.568 0.570 -1.567
64 HA SER 6 HA SER 6 11.720 1.170 0.963
65 HB2 SER 6 HB2 SER 6 10.440 2.994 -1.077
66 HB3 SER 6 HB3 SER 6 11.513 3.479 0.239
67 HG SER 6 HG SER 6 12.621 3.226 -1.778
68 H TRP 7 H TRP 7 10.687 2.661 2.496
69 HA TRP 7 HA TRP 7 8.376 1.603 3.573
70 HB2 TRP 7 HB2 TRP 7 8.277 3.601 5.062
71 HB3 TRP 7 HB3 TRP 7 9.857 2.839 4.998
72 HD1 TRP 7 HD1 TRP 7 11.838 4.270 3.848
73 HE1 TRP 7 HE1 TRP 7 12.096 6.748 3.354
74 HE3 TRP 7 HE3 TRP 7 6.971 5.721 4.436
75 HZ2 TRP 7 HZ2 TRP 7 10.473 9.055 3.251
76 HZ3 TRP 7 HZ3 TRP 7 6.415 8.098 4.137
77 HH2 TRP 7 HH2 TRP 7 8.135 9.727 3.558
78 H TYR 8 H TYR 8 8.607 4.439 1.546
79 HA TYR 8 HA TYR 8 5.816 5.000 1.795
80 HB2 TYR 8 HB2 TYR 8 6.134 6.734 0.082
81 HB3 TYR 8 HB3 TYR 8 7.312 6.855 1.382
82 HD1 TYR 8 HD1 TYR 8 6.797 6.056 -2.163
83 HD2 TYR 8 HD2 TYR 8 9.663 6.507 0.937
84 HE1 TYR 8 HE1 TYR 8 8.568 6.115 -3.837
85 HE2 TYR 8 HE2 TYR 8 11.467 6.563 -0.744
86 HH TYR 8 HH TYR 8 11.831 5.809 -3.058
87 H ALA 9 H ALA 9 7.580 2.931 -0.141
88 HA ALA 9 HA ALA 9 5.729 2.791 -2.314
89 HB1 ALA 9 HB1 ALA 9 8.051 2.094 -2.670
90 HB2 ALA 9 HB2 ALA 9 6.964 0.723 -2.936
91 HB3 ALA 9 HB3 ALA 9 7.869 0.849 -1.435
92 H ALA 10 H ALA 10 6.274 1.084 0.741
93 HA ALA 10 HA ALA 10 4.220 -0.830 0.372
94 HB1 ALA 10 HB1 ALA 10 6.130 -1.226 1.871
95 HB2 ALA 10 HB2 ALA 10 4.603 -1.266 2.745
96 HB3 ALA 10 HB3 ALA 10 5.645 0.159 2.846
97 H ALA 11 H ALA 11 4.626 2.130 2.268
98 HA ALA 11 HA ALA 11 2.058 2.314 3.323
99 HB1 ALA 11 HB1 ALA 11 3.767 4.627 2.426
100 HB2 ALA 11 HB2 ALA 11 3.952 3.790 3.964
101 HB3 ALA 11 HB3 ALA 11 2.471 4.686 3.615
102 H GLY 12 H GLY 12 3.209 3.535 0.226
103 HA2 GLY 12 HA2 GLY 12 0.864 4.761 -0.617
104 HA3 GLY 12 HA3 GLY 12 2.092 4.076 -1.676
105 H ASP 13 H ASP 13 1.988 1.478 -1.322
106 HA ASP 13 HA ASP 13 -0.398 0.766 -2.711
107 HB2 ASP 13 HB2 ASP 13 1.799 -0.346 -3.090
108 HB3 ASP 13 HB3 ASP 13 1.687 -1.045 -1.494
109 H ALA 14 H ALA 14 0.793 0.155 0.423
110 HA ALA 14 HA ALA 14 -1.128 -1.604 1.381
111 HB1 ALA 14 HB1 ALA 14 -0.212 -1.161 3.584
112 HB2 ALA 14 HB2 ALA 14 0.387 0.405 3.027
113 HB3 ALA 14 HB3 ALA 14 1.120 -1.034 2.406
114 H ILE 15 H ILE 15 -1.058 1.930 1.581
115 HA ILE 15 HA ILE 15 -3.482 2.027 3.120
116 HB ILE 15 HB ILE 15 -2.010 4.250 1.681
117 HG12 ILE 15 HG12 ILE 15 -2.112 3.595 4.624
118 HG13 ILE 15 HG13 ILE 15 -0.817 3.096 3.540
119 HG21 ILE 15 HG21 ILE 15 -4.381 4.827 2.010
120 HG22 ILE 15 HG22 ILE 15 -3.321 5.780 3.056
121 HG23 ILE 15 HG23 ILE 15 -4.223 4.422 3.726
122 HD11 ILE 15 HD11 ILE 15 -1.618 5.915 4.171
123 HD12 ILE 15 HD12 ILE 15 -0.372 5.419 3.031
124 HD13 ILE 15 HD13 ILE 15 -0.174 5.067 4.760
125 H VAL 16 H VAL 16 -2.645 2.457 -0.206
126 HA VAL 16 HA VAL 16 -5.257 3.147 -1.080
127 HB VAL 16 HB VAL 16 -3.026 1.836 -2.692
128 HG11 VAL 16 HG11 VAL 16 -5.207 1.434 -3.743
129 HG12 VAL 16 HG12 VAL 16 -4.236 2.560 -4.693
130 HG13 VAL 16 HG13 VAL 16 -5.553 3.165 -3.694
131 HG21 VAL 16 HG21 VAL 16 -2.695 4.091 -3.614
132 HG22 VAL 16 HG22 VAL 16 -2.417 4.025 -1.882
133 HG23 VAL 16 HG23 VAL 16 -3.920 4.718 -2.508
134 H SER 17 H SER 17 -3.679 0.137 -0.583
135 HA SER 17 HA SER 17 -5.687 -1.576 -1.652
136 HB2 SER 17 HB2 SER 17 -3.245 -2.186 -1.148
137 HB3 SER 17 HB3 SER 17 -3.716 -2.253 0.541
138 HG SER 17 HG SER 17 -4.430 -3.896 -1.587
139 H PHE 18 H PHE 18 -5.082 -0.113 1.424
140 HA PHE 18 HA PHE 18 -7.056 -1.404 2.946
141 HB2 PHE 18 HB2 PHE 18 -5.258 0.786 3.241
142 HB3 PHE 18 HB3 PHE 18 -6.839 1.253 3.847
143 HD1 PHE 18 HD1 PHE 18 -7.953 -0.361 5.421
144 HD2 PHE 18 HD2 PHE 18 -3.827 -0.464 4.512
145 HE1 PHE 18 HE1 PHE 18 -7.552 -1.618 7.498
146 HE2 PHE 18 HE2 PHE 18 -3.384 -1.735 6.575
147 HZ PHE 18 HZ PHE 18 -5.249 -2.320 8.076
148 H GLY 19 H GLY 19 -7.131 1.548 1.046
149 HA2 GLY 19 HA2 GLY 19 -9.805 2.286 1.456
150 HA3 GLY 19 HA3 GLY 19 -8.866 2.656 0.008
151 H GLU 20 H GLU 20 -8.391 0.291 -1.108
152 HA GLU 20 HA GLU 20 -10.794 -0.475 -2.331
153 HB2 GLU 20 HB2 GLU 20 -8.080 -1.747 -2.218
154 HB3 GLU 20 HB3 GLU 20 -9.375 -2.430 -3.179
155 HG2 GLU 20 HG2 GLU 20 -8.212 0.328 -3.501
156 HG3 GLU 20 HG3 GLU 20 -7.833 -1.077 -4.498
157 H GLY 21 H GLY 21 -9.066 -1.703 0.340
158 HA2 GLY 21 HA2 GLY 21 -10.417 -4.157 0.702
159 HA3 GLY 21 HA3 GLY 21 -9.525 -3.292 1.950
160 H PHE 22 H PHE 22 -11.122 -0.918 1.623
161 HA PHE 22 HA PHE 22 -13.355 -1.626 3.279
162 HB2 PHE 22 HB2 PHE 22 -12.222 0.459 3.724
163 HB3 PHE 22 HB3 PHE 22 -12.456 0.987 2.061
164 HD1 PHE 22 HD1 PHE 22 -14.356 0.010 5.090
165 HD2 PHE 22 HD2 PHE 22 -14.218 2.371 1.578
166 HE1 PHE 22 HE1 PHE 22 -16.397 1.192 5.813
167 HE2 PHE 22 HE2 PHE 22 -16.260 3.550 2.263
168 HZ PHE 22 HZ PHE 22 -17.356 2.952 4.402
169 H LEU 23 H LEU 23 -12.850 -0.429 0.004
170 HA LEU 23 HA LEU 23 -15.555 -0.080 -0.657
171 HB2 LEU 23 HB2 LEU 23 -13.225 -0.521 -2.497
172 HB3 LEU 23 HB3 LEU 23 -14.780 0.116 -2.975
173 HG LEU 23 HG LEU 23 -12.743 1.433 -1.190
174 HD11 LEU 23 HD11 LEU 23 -13.813 2.178 -3.896
175 HD12 LEU 23 HD12 LEU 23 -12.200 1.536 -3.526
176 HD13 LEU 23 HD13 LEU 23 -12.683 3.120 -2.918
177 HD21 LEU 23 HD21 LEU 23 -14.944 1.908 -0.339
178 HD22 LEU 23 HD22 LEU 23 -15.489 2.398 -1.958
179 HD23 LEU 23 HD23 LEU 23 -14.248 3.330 -1.116
180 H ASN 24 H ASN 24 -13.901 -2.930 -0.240
181 HA ASN 24 HA ASN 24 -14.943 -4.623 -2.215
182 HB2 ASN 24 HB2 ASN 24 -14.315 -6.476 -0.884
183 HB3 ASN 24 HB3 ASN 24 -13.157 -5.227 -0.506
184 HD21 ASN 24 HD21 ASN 24 -14.949 -3.770 1.475
185 HD22 ASN 24 HD22 ASN 24 -15.001 -4.851 2.801
186 H ALA 25 H ALA 25 -16.605 -3.066 0.318
187 HA ALA 25 HA ALA 25 -18.830 -4.964 0.165
188 HB1 ALA 25 HB1 ALA 25 -18.084 -2.994 2.312
189 HB2 ALA 25 HB2 ALA 25 -17.866 -4.739 2.397
190 HB3 ALA 25 HB3 ALA 25 -19.489 -4.053 2.347
191 H TRP 26 H TRP 26 -17.878 -2.286 -1.347
192 HA TRP 26 HA TRP 26 -20.481 -1.016 -1.167
193 HB2 TRP 26 HB2 TRP 26 -17.780 0.363 -1.256
194 HB3 TRP 26 HB3 TRP 26 -19.322 1.183 -1.487
195 HD1 TRP 26 HD1 TRP 26 -17.193 -0.477 1.239
196 HE1 TRP 26 HE1 TRP 26 -18.154 0.173 3.533
197 HE3 TRP 26 HE3 TRP 26 -21.436 1.939 -0.285
198 HZ2 TRP 26 HZ2 TRP 26 -20.371 1.524 4.560
199 HZ3 TRP 26 HZ3 TRP 26 -22.918 2.874 1.430
200 HH2 TRP 26 HH2 TRP 26 -22.398 2.678 3.794
Start of MODEL 10
1 H1 LYS 1 HT1 LYS 1 -13.123 3.577 5.057
2 H2 LYS 1 HT2 LYS 1 -13.572 2.913 6.546
3 H3 LYS 1 HT3 LYS 1 -14.736 3.249 5.368
4 HA LYS 1 HA LYS 1 -12.544 1.318 5.033
5 HB2 LYS 1 HB2 LYS 1 -14.310 -0.426 5.160
6 HB3 LYS 1 HB3 LYS 1 -14.112 0.430 6.677
7 HG2 LYS 1 HG2 LYS 1 -16.063 1.846 6.037
8 HG3 LYS 1 HG3 LYS 1 -16.328 0.778 4.657
9 HD2 LYS 1 HD2 LYS 1 -16.606 -1.104 6.229
10 HD3 LYS 1 HD3 LYS 1 -16.349 0.014 7.569
11 HE2 LYS 1 HE2 LYS 1 -18.288 1.344 6.725
12 HE3 LYS 1 HE3 LYS 1 -18.607 0.050 5.583
13 HZ1 LYS 1 HZ1 LYS 1 -18.875 -1.473 7.437
14 HZ2 LYS 1 HZ2 LYS 1 -19.932 -0.157 7.538
15 HZ3 LYS 1 HZ3 LYS 1 -18.558 -0.207 8.514
16 H LYS 2 H LYS 2 -14.586 3.499 3.469
17 HA LYS 2 HA LYS 2 -14.013 2.111 1.021
18 HB2 LYS 2 HB2 LYS 2 -16.325 1.426 1.707
19 HB3 LYS 2 HB3 LYS 2 -16.792 3.121 1.648
20 HG2 LYS 2 HG2 LYS 2 -17.512 2.067 -0.374
21 HG3 LYS 2 HG3 LYS 2 -16.190 3.161 -0.765
22 HD2 LYS 2 HD2 LYS 2 -14.629 1.224 -0.701
23 HD3 LYS 2 HD3 LYS 2 -16.012 0.175 -0.408
24 HE2 LYS 2 HE2 LYS 2 -16.980 0.936 -2.563
25 HE3 LYS 2 HE3 LYS 2 -15.519 1.880 -2.841
26 HZ1 LYS 2 HZ1 LYS 2 -15.662 -1.053 -2.515
27 HZ2 LYS 2 HZ2 LYS 2 -14.232 -0.164 -2.784
28 HZ3 LYS 2 HZ3 LYS 2 -15.422 -0.233 -3.961
29 H LYS 3 H LYS 3 -12.710 3.655 0.324
30 HA LYS 3 HA LYS 3 -13.597 6.446 0.317
31 HB2 LYS 3 HB2 LYS 3 -10.930 5.264 -0.554
32 HB3 LYS 3 HB3 LYS 3 -11.320 6.972 -0.468
33 HG2 LYS 3 HG2 LYS 3 -11.196 5.108 1.889
34 HG3 LYS 3 HG3 LYS 3 -9.924 6.219 1.391
35 HD2 LYS 3 HD2 LYS 3 -11.509 8.077 1.672
36 HD3 LYS 3 HD3 LYS 3 -12.708 6.929 2.268
37 HE2 LYS 3 HE2 LYS 3 -11.604 7.989 4.136
38 HE3 LYS 3 HE3 LYS 3 -11.188 6.280 4.075
39 HZ1 LYS 3 HZ1 LYS 3 -9.477 8.522 3.130
40 HZ2 LYS 3 HZ2 LYS 3 -9.062 6.899 3.029
41 HZ3 LYS 3 HZ3 LYS 3 -9.241 7.626 4.524
42 H LYS 4 H LYS 4 -11.730 4.650 -2.025
43 HA LYS 4 HA LYS 4 -13.753 4.859 -4.090
44 HB2 LYS 4 HB2 LYS 4 -12.184 6.025 -5.643
45 HB3 LYS 4 HB3 LYS 4 -12.605 7.036 -4.268
46 HG2 LYS 4 HG2 LYS 4 -10.440 6.343 -3.216
47 HG3 LYS 4 HG3 LYS 4 -10.044 5.528 -4.724
48 HD2 LYS 4 HD2 LYS 4 -10.654 8.490 -4.494
49 HD3 LYS 4 HD3 LYS 4 -9.036 7.813 -4.436
50 HE2 LYS 4 HE2 LYS 4 -9.336 8.606 -6.653
51 HE3 LYS 4 HE3 LYS 4 -9.497 6.858 -6.738
52 HZ1 LYS 4 HZ1 LYS 4 -11.862 7.085 -6.952
53 HZ2 LYS 4 HZ2 LYS 4 -11.136 8.078 -8.068
54 HZ3 LYS 4 HZ3 LYS 4 -11.793 8.742 -6.668
55 H GLN 5 H GLN 5 -11.993 2.995 -2.392
56 HA GLN 5 HA GLN 5 -10.870 1.411 -4.533
57 HB2 GLN 5 HB2 GLN 5 -9.732 2.073 -1.824
58 HB3 GLN 5 HB3 GLN 5 -9.119 0.792 -2.847
59 HG2 GLN 5 HG2 GLN 5 -8.317 2.350 -4.456
60 HG3 GLN 5 HG3 GLN 5 -9.196 3.672 -3.694
61 HE21 GLN 5 HE21 GLN 5 -6.411 1.516 -3.372
62 HE22 GLN 5 HE22 GLN 5 -5.661 2.464 -2.154
63 H SER 6 H SER 6 -10.950 -0.733 -3.957
64 HA SER 6 HA SER 6 -12.821 -1.431 -1.833
65 HB2 SER 6 HB2 SER 6 -11.645 -3.120 -4.044
66 HB3 SER 6 HB3 SER 6 -12.968 -3.584 -2.971
67 HG SER 6 HG SER 6 -12.923 -1.661 -5.023
68 H TRP 7 H TRP 7 -12.134 -3.576 -0.713
69 HA TRP 7 HA TRP 7 -9.983 -3.056 0.863
70 HB2 TRP 7 HB2 TRP 7 -10.150 -5.412 1.639
71 HB3 TRP 7 HB3 TRP 7 -11.703 -4.579 1.576
72 HD1 TRP 7 HD1 TRP 7 -13.436 -5.417 -0.355
73 HE1 TRP 7 HE1 TRP 7 -13.610 -7.634 -1.617
74 HE3 TRP 7 HE3 TRP 7 -8.818 -7.304 0.696
75 HZ2 TRP 7 HZ2 TRP 7 -12.006 -9.891 -2.104
76 HZ3 TRP 7 HZ3 TRP 7 -8.212 -9.516 -0.216
77 HH2 TRP 7 HH2 TRP 7 -9.780 -10.779 -1.584
78 H TYR 8 H TYR 8 -10.024 -5.042 -1.999
79 HA TYR 8 HA TYR 8 -7.330 -5.903 -1.723
80 HB2 TYR 8 HB2 TYR 8 -7.613 -6.702 -4.134
81 HB3 TYR 8 HB3 TYR 8 -8.732 -7.377 -2.959
82 HD1 TYR 8 HD1 TYR 8 -8.400 -4.906 -5.712
83 HD2 TYR 8 HD2 TYR 8 -11.052 -7.061 -3.187
84 HE1 TYR 8 HE1 TYR 8 -10.285 -4.213 -7.108
85 HE2 TYR 8 HE2 TYR 8 -12.944 -6.374 -4.580
86 HH TYR 8 HH TYR 8 -12.461 -4.890 -7.629
87 H ALA 9 H ALA 9 -8.843 -3.299 -3.251
88 HA ALA 9 HA ALA 9 -6.641 -2.540 -4.925
89 HB1 ALA 9 HB1 ALA 9 -8.911 -1.934 -5.527
90 HB2 ALA 9 HB2 ALA 9 -7.907 -0.486 -5.336
91 HB3 ALA 9 HB3 ALA 9 -9.049 -0.948 -4.072
92 H ALA 10 H ALA 10 -7.781 -1.726 -1.716
93 HA ALA 10 HA ALA 10 -5.916 0.326 -1.308
94 HB1 ALA 10 HB1 ALA 10 -7.435 -1.404 0.624
95 HB2 ALA 10 HB2 ALA 10 -7.979 0.154 -0.014
96 HB3 ALA 10 HB3 ALA 10 -6.561 0.075 1.041
97 H ALA 11 H ALA 11 -6.225 -3.055 -0.294
98 HA ALA 11 HA ALA 11 -3.813 -3.281 1.079
99 HB1 ALA 11 HB1 ALA 11 -5.631 -4.935 1.173
100 HB2 ALA 11 HB2 ALA 11 -4.055 -5.668 0.866
101 HB3 ALA 11 HB3 ALA 11 -5.208 -5.469 -0.454
102 H GLY 12 H GLY 12 -4.385 -4.000 -2.329
103 HA2 GLY 12 HA2 GLY 12 -1.812 -4.843 -2.933
104 HA3 GLY 12 HA3 GLY 12 -2.917 -4.106 -4.087
105 H ASP 13 H ASP 13 -3.204 -1.640 -3.319
106 HA ASP 13 HA ASP 13 -0.853 -0.348 -4.188
107 HB2 ASP 13 HB2 ASP 13 -3.148 0.512 -4.544
108 HB3 ASP 13 HB3 ASP 13 -3.271 0.816 -2.829
109 H ALA 14 H ALA 14 -2.413 -0.503 -1.153
110 HA ALA 14 HA ALA 14 -0.800 1.179 0.370
111 HB1 ALA 14 HB1 ALA 14 -2.298 -1.233 1.380
112 HB2 ALA 14 HB2 ALA 14 -3.051 0.269 0.983
113 HB3 ALA 14 HB3 ALA 14 -1.862 0.212 2.313
114 H ILE 15 H ILE 15 -0.565 -2.307 -0.158
115 HA ILE 15 HA ILE 15 1.629 -2.567 1.650
116 HB ILE 15 HB ILE 15 0.497 -4.502 -0.372
117 HG12 ILE 15 HG12 ILE 15 0.406 -4.480 2.636
118 HG13 ILE 15 HG13 ILE 15 -0.884 -3.905 1.573
119 HG21 ILE 15 HG21 ILE 15 2.631 -5.026 1.688
120 HG22 ILE 15 HG22 ILE 15 2.877 -5.019 -0.064
121 HG23 ILE 15 HG23 ILE 15 1.851 -6.249 0.684
122 HD11 ILE 15 HD11 ILE 15 -1.341 -6.127 2.383
123 HD12 ILE 15 HD12 ILE 15 0.215 -6.666 1.711
124 HD13 ILE 15 HD13 ILE 15 -1.069 -6.102 0.624
125 H VAL 16 H VAL 16 1.326 -2.414 -1.776
126 HA VAL 16 HA VAL 16 4.063 -2.683 -2.366
127 HB VAL 16 HB VAL 16 2.018 -1.060 -3.930
128 HG11 VAL 16 HG11 VAL 16 4.278 -0.324 -4.498
129 HG12 VAL 16 HG12 VAL 16 3.568 -1.236 -5.833
130 HG13 VAL 16 HG13 VAL 16 4.763 -1.996 -4.793
131 HG21 VAL 16 HG21 VAL 16 3.040 -3.877 -4.326
132 HG22 VAL 16 HG22 VAL 16 1.966 -3.007 -5.426
133 HG23 VAL 16 HG23 VAL 16 1.422 -3.397 -3.809
134 H SER 17 H SER 17 2.197 0.139 -1.622
135 HA SER 17 HA SER 17 4.390 1.952 -1.871
136 HB2 SER 17 HB2 SER 17 1.961 2.625 -2.076
137 HB3 SER 17 HB3 SER 17 1.831 2.423 -0.333
138 HG SER 17 HG SER 17 2.927 4.209 -0.020
139 H PHE 18 H PHE 18 3.046 0.068 0.713
140 HA PHE 18 HA PHE 18 4.335 1.203 2.934
141 HB2 PHE 18 HB2 PHE 18 2.474 -0.614 2.709
142 HB3 PHE 18 HB3 PHE 18 3.798 -1.735 2.563
143 HD1 PHE 18 HD1 PHE 18 1.499 -0.557 4.710
144 HD2 PHE 18 HD2 PHE 18 5.674 -1.245 4.541
145 HE1 PHE 18 HE1 PHE 18 1.555 -0.718 7.161
146 HE2 PHE 18 HE2 PHE 18 5.759 -1.419 7.001
147 HZ PHE 18 HZ PHE 18 3.693 -1.161 8.312
148 H GLY 19 H GLY 19 5.158 -1.476 0.776
149 HA2 GLY 19 HA2 GLY 19 7.627 -2.120 1.905
150 HA3 GLY 19 HA3 GLY 19 7.126 -2.504 0.255
151 H GLU 20 H GLU 20 6.797 -0.029 -0.818
152 HA GLU 20 HA GLU 20 9.449 0.672 -1.418
153 HB2 GLU 20 HB2 GLU 20 6.840 2.029 -2.049
154 HB3 GLU 20 HB3 GLU 20 8.368 2.600 -2.679
155 HG2 GLU 20 HG2 GLU 20 7.066 -0.066 -3.219
156 HG3 GLU 20 HG3 GLU 20 7.271 1.276 -4.340
157 H GLY 21 H GLY 21 7.200 1.835 0.834
158 HA2 GLY 21 HA2 GLY 21 8.320 4.318 1.529
159 HA3 GLY 21 HA3 GLY 21 7.377 3.277 2.603
160 H PHE 22 H PHE 22 9.007 1.094 2.528
161 HA PHE 22 HA PHE 22 11.145 1.906 4.262
162 HB2 PHE 22 HB2 PHE 22 9.934 -0.111 4.809
163 HB3 PHE 22 HB3 PHE 22 10.327 -0.813 3.238
164 HD1 PHE 22 HD1 PHE 22 11.980 -2.405 3.243
165 HD2 PHE 22 HD2 PHE 22 12.120 0.703 6.130
166 HE1 PHE 22 HE1 PHE 22 13.997 -3.407 4.200
167 HE2 PHE 22 HE2 PHE 22 14.151 -0.305 7.121
168 HZ PHE 22 HZ PHE 22 15.091 -2.365 6.146
169 H LEU 23 H LEU 23 10.835 0.409 1.089
170 HA LEU 23 HA LEU 23 13.573 -0.051 0.653
171 HB2 LEU 23 HB2 LEU 23 11.392 0.110 -1.414
172 HB3 LEU 23 HB3 LEU 23 12.985 -0.566 -1.643
173 HG LEU 23 HG LEU 23 10.821 -1.650 0.147
174 HD11 LEU 23 HD11 LEU 23 10.473 -2.136 -2.188
175 HD12 LEU 23 HD12 LEU 23 10.936 -3.594 -1.305
176 HD13 LEU 23 HD13 LEU 23 12.120 -2.756 -2.311
177 HD21 LEU 23 HD21 LEU 23 13.644 -2.600 -0.242
178 HD22 LEU 23 HD22 LEU 23 12.382 -3.485 0.628
179 HD23 LEU 23 HD23 LEU 23 12.959 -1.935 1.243
180 H ASN 24 H ASN 24 12.000 2.868 0.505
181 HA ASN 24 HA ASN 24 13.522 4.128 -1.522
182 HB2 ASN 24 HB2 ASN 24 12.806 6.223 -0.685
183 HB3 ASN 24 HB3 ASN 24 11.472 5.131 -0.386
184 HD21 ASN 24 HD21 ASN 24 12.803 3.961 2.137
185 HD22 ASN 24 HD22 ASN 24 12.656 5.230 3.261
186 H ALA 25 H ALA 25 14.502 2.929 1.476
187 HA ALA 25 HA ALA 25 16.917 4.609 1.544
188 HB1 ALA 25 HB1 ALA 25 15.511 4.810 3.549
189 HB2 ALA 25 HB2 ALA 25 17.049 4.035 3.926
190 HB3 ALA 25 HB3 ALA 25 15.584 3.066 3.777
191 H TRP 26 H TRP 26 16.261 2.282 -0.051
192 HA TRP 26 HA TRP 26 17.215 -0.141 0.675
193 HB2 TRP 26 HB2 TRP 26 17.691 -0.541 -1.740
194 HB3 TRP 26 HB3 TRP 26 16.103 0.142 -1.445
195 HD1 TRP 26 HD1 TRP 26 16.043 2.994 -1.919
196 HE1 TRP 26 HE1 TRP 26 17.131 4.265 -3.878
197 HE3 TRP 26 HE3 TRP 26 19.437 -0.517 -3.396
198 HZ2 TRP 26 HZ2 TRP 26 19.135 3.833 -5.781
199 HZ3 TRP 26 HZ3 TRP 26 20.901 -0.013 -5.306
200 HH2 TRP 26 HH2 TRP 26 20.741 2.126 -6.475
Start of MODEL 11
1 H1 LYS 1 HT1 LYS 1 17.044 5.675 -6.825
2 H2 LYS 1 HT2 LYS 1 17.294 5.479 -5.158
3 H3 LYS 1 HT3 LYS 1 15.884 6.154 -5.704
4 HA LYS 1 HA LYS 1 15.179 4.148 -6.719
5 HB2 LYS 1 HB2 LYS 1 17.767 3.002 -5.621
6 HB3 LYS 1 HB3 LYS 1 16.455 2.062 -6.312
7 HG2 LYS 1 HG2 LYS 1 16.789 3.080 -8.460
8 HG3 LYS 1 HG3 LYS 1 17.989 4.166 -7.781
9 HD2 LYS 1 HD2 LYS 1 19.161 2.444 -8.939
10 HD3 LYS 1 HD3 LYS 1 19.395 2.215 -7.216
11 HE2 LYS 1 HE2 LYS 1 17.347 0.669 -8.819
12 HE3 LYS 1 HE3 LYS 1 19.009 0.142 -8.628
13 HZ1 LYS 1 HZ1 LYS 1 17.619 -0.969 -7.090
14 HZ2 LYS 1 HZ2 LYS 1 17.035 0.431 -6.381
15 HZ3 LYS 1 HZ3 LYS 1 18.659 0.004 -6.240
16 H LYS 2 H LYS 2 17.055 3.999 -3.669
17 HA LYS 2 HA LYS 2 14.829 2.693 -2.383
18 HB2 LYS 2 HB2 LYS 2 17.232 2.121 -1.894
19 HB3 LYS 2 HB3 LYS 2 17.410 3.720 -1.190
20 HG2 LYS 2 HG2 LYS 2 15.737 3.163 0.499
21 HG3 LYS 2 HG3 LYS 2 15.579 1.546 -0.198
22 HD2 LYS 2 HD2 LYS 2 17.953 1.136 0.268
23 HD3 LYS 2 HD3 LYS 2 18.073 2.744 0.988
24 HE2 LYS 2 HE2 LYS 2 16.350 2.079 2.640
25 HE3 LYS 2 HE3 LYS 2 16.356 0.469 1.929
26 HZ1 LYS 2 HZ1 LYS 2 18.668 0.220 2.573
27 HZ2 LYS 2 HZ2 LYS 2 17.744 0.622 3.913
28 HZ3 LYS 2 HZ3 LYS 2 18.693 1.787 3.184
29 H LYS 3 H LYS 3 13.203 4.046 -2.277
30 HA LYS 3 HA LYS 3 13.485 6.841 -1.752
31 HB2 LYS 3 HB2 LYS 3 10.966 5.176 -1.862
32 HB3 LYS 3 HB3 LYS 3 11.072 6.927 -2.017
33 HG2 LYS 3 HG2 LYS 3 12.340 6.683 -4.071
34 HG3 LYS 3 HG3 LYS 3 12.313 4.933 -3.913
35 HD2 LYS 3 HD2 LYS 3 10.656 5.520 -5.509
36 HD3 LYS 3 HD3 LYS 3 9.818 5.048 -4.045
37 HE2 LYS 3 HE2 LYS 3 9.435 7.344 -3.447
38 HE3 LYS 3 HE3 LYS 3 10.407 7.894 -4.812
39 HZ1 LYS 3 HZ1 LYS 3 7.857 6.382 -5.005
40 HZ2 LYS 3 HZ2 LYS 3 8.757 6.936 -6.314
41 HZ3 LYS 3 HZ3 LYS 3 8.036 8.028 -5.263
42 H LYS 4 H LYS 4 11.402 4.518 -0.024
43 HA LYS 4 HA LYS 4 12.635 5.127 2.461
44 HB2 LYS 4 HB2 LYS 4 10.557 6.000 3.567
45 HB3 LYS 4 HB3 LYS 4 11.285 7.112 2.422
46 HG2 LYS 4 HG2 LYS 4 9.591 6.552 0.776
47 HG3 LYS 4 HG3 LYS 4 8.908 5.347 1.853
48 HD2 LYS 4 HD2 LYS 4 7.562 7.316 1.958
49 HD3 LYS 4 HD3 LYS 4 8.418 7.162 3.487
50 HE2 LYS 4 HE2 LYS 4 10.057 8.839 2.743
51 HE3 LYS 4 HE3 LYS 4 9.227 8.950 1.194
52 HZ1 LYS 4 HZ1 LYS 4 8.583 10.758 2.656
53 HZ2 LYS 4 HZ2 LYS 4 8.061 9.669 3.823
54 HZ3 LYS 4 HZ3 LYS 4 7.270 9.749 2.358
55 H GLN 5 H GLN 5 9.773 3.796 0.945
56 HA GLN 5 HA GLN 5 9.817 1.675 2.944
57 HB2 GLN 5 HB2 GLN 5 7.593 2.493 1.048
58 HB3 GLN 5 HB3 GLN 5 7.490 1.181 2.201
59 HG2 GLN 5 HG2 GLN 5 7.669 2.669 4.044
60 HG3 GLN 5 HG3 GLN 5 7.993 4.044 3.003
61 HE21 GLN 5 HE21 GLN 5 5.513 1.571 2.451
62 HE22 GLN 5 HE22 GLN 5 4.173 2.636 2.691
63 H SER 6 H SER 6 11.131 0.140 2.265
64 HA SER 6 HA SER 6 11.783 -0.619 -0.322
65 HB2 SER 6 HB2 SER 6 11.673 -2.372 2.122
66 HB3 SER 6 HB3 SER 6 12.786 -2.476 0.754
67 HG SER 6 HG SER 6 13.991 -1.000 1.632
68 H TRP 7 H TRP 7 11.284 -2.996 -1.147
69 HA TRP 7 HA TRP 7 8.712 -3.058 -2.050
70 HB2 TRP 7 HB2 TRP 7 9.169 -5.394 -2.777
71 HB3 TRP 7 HB3 TRP 7 10.494 -4.291 -3.147
72 HD1 TRP 7 HD1 TRP 7 12.754 -4.630 -1.722
73 HE1 TRP 7 HE1 TRP 7 13.690 -6.671 -0.507
74 HE3 TRP 7 HE3 TRP 7 8.499 -7.383 -1.456
75 HZ2 TRP 7 HZ2 TRP 7 12.740 -9.156 0.449
76 HZ3 TRP 7 HZ3 TRP 7 8.563 -9.567 -0.378
77 HH2 TRP 7 HH2 TRP 7 10.658 -10.457 0.562
78 H TYR 8 H TYR 8 9.967 -4.674 0.758
79 HA TYR 8 HA TYR 8 7.526 -6.070 1.317
80 HB2 TYR 8 HB2 TYR 8 8.638 -6.616 3.541
81 HB3 TYR 8 HB3 TYR 8 9.465 -7.188 2.103
82 HD1 TYR 8 HD1 TYR 8 9.528 -4.584 4.738
83 HD2 TYR 8 HD2 TYR 8 11.673 -6.490 1.607
84 HE1 TYR 8 HE1 TYR 8 11.578 -3.475 5.487
85 HE2 TYR 8 HE2 TYR 8 13.743 -5.379 2.339
86 HH TYR 8 HH TYR 8 13.966 -3.778 5.326
87 H ALA 9 H ALA 9 8.903 -3.149 2.309
88 HA ALA 9 HA ALA 9 7.146 -2.659 4.509
89 HB1 ALA 9 HB1 ALA 9 8.061 -0.348 4.450
90 HB2 ALA 9 HB2 ALA 9 8.884 -0.745 2.942
91 HB3 ALA 9 HB3 ALA 9 9.329 -1.574 4.436
92 H ALA 10 H ALA 10 7.288 -1.791 1.083
93 HA ALA 10 HA ALA 10 5.034 -0.166 1.047
94 HB1 ALA 10 HB1 ALA 10 6.734 -0.088 -0.704
95 HB2 ALA 10 HB2 ALA 10 5.154 -0.490 -1.380
96 HB3 ALA 10 HB3 ALA 10 6.363 -1.753 -1.146
97 H ALA 11 H ALA 11 5.630 -3.588 0.290
98 HA ALA 11 HA ALA 11 3.048 -4.266 -0.472
99 HB1 ALA 11 HB1 ALA 11 4.968 -6.037 1.030
100 HB2 ALA 11 HB2 ALA 11 4.977 -5.763 -0.707
101 HB3 ALA 11 HB3 ALA 11 3.596 -6.563 0.055
102 H GLY 12 H GLY 12 4.389 -4.215 2.779
103 HA2 GLY 12 HA2 GLY 12 2.100 -5.205 4.058
104 HA3 GLY 12 HA3 GLY 12 3.353 -4.219 4.813
105 H ASP 13 H ASP 13 3.234 -1.912 3.609
106 HA ASP 13 HA ASP 13 1.049 -0.646 4.874
107 HB2 ASP 13 HB2 ASP 13 3.199 0.390 4.824
108 HB3 ASP 13 HB3 ASP 13 3.263 0.314 3.079
109 H ALA 14 H ALA 14 1.881 -1.053 1.580
110 HA ALA 14 HA ALA 14 -0.184 0.443 0.373
111 HB1 ALA 14 HB1 ALA 14 1.272 -1.886 -0.860
112 HB2 ALA 14 HB2 ALA 14 1.977 -0.322 -0.676
113 HB3 ALA 14 HB3 ALA 14 0.545 -0.515 -1.716
114 H ILE 15 H ILE 15 -0.038 -2.980 1.209
115 HA ILE 15 HA ILE 15 -2.546 -3.525 -0.092
116 HB ILE 15 HB ILE 15 -0.943 -5.227 1.839
117 HG12 ILE 15 HG12 ILE 15 -1.333 -5.537 -1.139
118 HG13 ILE 15 HG13 ILE 15 0.076 -4.780 -0.400
119 HG21 ILE 15 HG21 ILE 15 -3.364 -5.995 0.210
120 HG22 ILE 15 HG22 ILE 15 -3.300 -5.870 1.969
121 HG23 ILE 15 HG23 ILE 15 -2.354 -7.108 1.129
122 HD11 ILE 15 HD11 ILE 15 0.541 -6.816 0.776
123 HD12 ILE 15 HD12 ILE 15 0.558 -7.072 -0.980
124 HD13 ILE 15 HD13 ILE 15 -0.826 -7.613 0.001
125 H VAL 16 H VAL 16 -1.554 -2.923 3.136
126 HA VAL 16 HA VAL 16 -4.096 -3.269 4.317
127 HB VAL 16 HB VAL 16 -1.924 -1.346 5.219
128 HG11 VAL 16 HG11 VAL 16 -3.033 -1.423 7.415
129 HG12 VAL 16 HG12 VAL 16 -4.351 -2.366 6.712
130 HG13 VAL 16 HG13 VAL 16 -4.055 -0.714 6.168
131 HG21 VAL 16 HG21 VAL 16 -2.549 -4.169 6.119
132 HG22 VAL 16 HG22 VAL 16 -1.371 -3.095 6.879
133 HG23 VAL 16 HG23 VAL 16 -1.119 -3.628 5.231
134 H SER 17 H SER 17 -2.629 -0.445 2.909
135 HA SER 17 HA SER 17 -4.885 1.210 3.335
136 HB2 SER 17 HB2 SER 17 -2.440 1.532 1.630
137 HB3 SER 17 HB3 SER 17 -3.706 2.765 1.735
138 HG SER 17 HG SER 17 -3.350 2.351 4.128
139 H PHE 18 H PHE 18 -4.007 -1.014 0.900
140 HA PHE 18 HA PHE 18 -5.732 -0.220 -1.177
141 HB2 PHE 18 HB2 PHE 18 -3.879 -2.030 -1.038
142 HB3 PHE 18 HB3 PHE 18 -5.128 -3.061 -0.391
143 HD1 PHE 18 HD1 PHE 18 -7.413 -2.877 -1.905
144 HD2 PHE 18 HD2 PHE 18 -3.426 -2.350 -3.213
145 HE1 PHE 18 HE1 PHE 18 -8.094 -3.524 -4.179
146 HE2 PHE 18 HE2 PHE 18 -4.075 -2.989 -5.508
147 HZ PHE 18 HZ PHE 18 -6.419 -3.581 -5.991
148 H GLY 19 H GLY 19 -6.077 -2.285 1.667
149 HA2 GLY 19 HA2 GLY 19 -8.785 -2.992 1.327
150 HA3 GLY 19 HA3 GLY 19 -7.882 -3.025 2.839
151 H GLU 20 H GLU 20 -7.186 -0.347 3.066
152 HA GLU 20 HA GLU 20 -9.457 0.838 4.193
153 HB2 GLU 20 HB2 GLU 20 -6.943 2.206 3.207
154 HB3 GLU 20 HB3 GLU 20 -8.144 2.899 4.282
155 HG2 GLU 20 HG2 GLU 20 -7.613 1.261 5.976
156 HG3 GLU 20 HG3 GLU 20 -6.424 0.516 4.909
157 H GLY 21 H GLY 21 -7.886 1.313 1.191
158 HA2 GLY 21 HA2 GLY 21 -9.491 3.331 0.057
159 HA3 GLY 21 HA3 GLY 21 -8.544 2.144 -0.849
160 H PHE 22 H PHE 22 -9.731 -0.126 -0.066
161 HA PHE 22 HA PHE 22 -11.893 -0.443 -1.810
162 HB2 PHE 22 HB2 PHE 22 -10.572 -2.353 -1.275
163 HB3 PHE 22 HB3 PHE 22 -10.830 -2.127 0.447
164 HD1 PHE 22 HD1 PHE 22 -12.594 -3.130 1.548
165 HD2 PHE 22 HD2 PHE 22 -12.511 -3.180 -2.707
166 HE1 PHE 22 HE1 PHE 22 -14.425 -4.723 1.553
167 HE2 PHE 22 HE2 PHE 22 -14.356 -4.805 -2.719
168 HZ PHE 22 HZ PHE 22 -15.323 -5.580 -0.592
169 H LEU 23 H LEU 23 -11.876 0.316 1.582
170 HA LEU 23 HA LEU 23 -14.622 -0.160 2.081
171 HB2 LEU 23 HB2 LEU 23 -12.754 1.684 3.563
172 HB3 LEU 23 HB3 LEU 23 -14.322 1.133 4.129
173 HG LEU 23 HG LEU 23 -11.864 -0.554 3.685
174 HD11 LEU 23 HD11 LEU 23 -11.996 -0.966 6.059
175 HD12 LEU 23 HD12 LEU 23 -13.347 0.168 6.190
176 HD13 LEU 23 HD13 LEU 23 -11.737 0.741 5.710
177 HD21 LEU 23 HD21 LEU 23 -14.616 -1.414 4.582
178 HD22 LEU 23 HD22 LEU 23 -13.170 -2.412 4.605
179 HD23 LEU 23 HD23 LEU 23 -13.821 -1.845 3.067
180 H ASN 24 H ASN 24 -13.303 2.189 0.137
181 HA ASN 24 HA ASN 24 -15.186 4.247 0.525
182 HB2 ASN 24 HB2 ASN 24 -14.562 5.121 -1.613
183 HB3 ASN 24 HB3 ASN 24 -13.123 4.417 -0.914
184 HD21 ASN 24 HD21 ASN 24 -13.862 1.580 -1.735
185 HD22 ASN 24 HD22 ASN 24 -13.605 1.560 -3.423
186 H ALA 25 H ALA 25 -15.571 1.108 -0.650
187 HA ALA 25 HA ALA 25 -18.155 1.799 -1.810
188 HB1 ALA 25 HB1 ALA 25 -16.335 -0.477 -2.553
189 HB2 ALA 25 HB2 ALA 25 -16.591 0.995 -3.487
190 HB3 ALA 25 HB3 ALA 25 -17.915 -0.147 -3.261
191 H TRP 26 H TRP 26 -16.390 -0.112 0.442
192 HA TRP 26 HA TRP 26 -16.837 -1.543 2.034
193 HB2 TRP 26 HB2 TRP 26 -19.608 -0.440 1.725
194 HB3 TRP 26 HB3 TRP 26 -19.195 -1.601 2.990
195 HD1 TRP 26 HD1 TRP 26 -19.126 2.016 2.121
196 HE1 TRP 26 HE1 TRP 26 -18.138 3.375 4.054
197 HE3 TRP 26 HE3 TRP 26 -17.255 -1.830 4.900
198 HZ2 TRP 26 HZ2 TRP 26 -16.714 2.867 6.459
199 HZ3 TRP 26 HZ3 TRP 26 -16.085 -1.315 6.986
200 HH2 TRP 26 HH2 TRP 26 -15.819 0.981 7.754
Start of MODEL 12
1 H1 LYS 1 HT1 LYS 1 11.738 11.531 -3.155
2 H2 LYS 1 HT2 LYS 1 11.910 10.713 -1.666
3 H3 LYS 1 HT3 LYS 1 11.696 9.852 -3.077
4 HA LYS 1 HA LYS 1 13.798 10.594 -3.919
5 HB2 LYS 1 HB2 LYS 1 14.169 11.820 -1.158
6 HB3 LYS 1 HB3 LYS 1 15.412 11.648 -2.370
7 HG2 LYS 1 HG2 LYS 1 14.845 13.905 -2.452
8 HG3 LYS 1 HG3 LYS 1 13.961 13.221 -3.803
9 HD2 LYS 1 HD2 LYS 1 11.904 13.219 -2.498
10 HD3 LYS 1 HD3 LYS 1 12.778 13.779 -1.074
11 HE2 LYS 1 HE2 LYS 1 13.420 15.817 -2.361
12 HE3 LYS 1 HE3 LYS 1 12.378 15.253 -3.668
13 HZ1 LYS 1 HZ1 LYS 1 11.503 15.886 -0.909
14 HZ2 LYS 1 HZ2 LYS 1 10.493 15.387 -2.145
15 HZ3 LYS 1 HZ3 LYS 1 11.291 16.875 -2.241
16 H LYS 2 H LYS 2 15.226 9.026 -3.814
17 HA LYS 2 HA LYS 2 16.368 7.231 -3.336
18 HB2 LYS 2 HB2 LYS 2 17.501 6.990 -1.185
19 HB3 LYS 2 HB3 LYS 2 17.578 8.628 -1.802
20 HG2 LYS 2 HG2 LYS 2 15.880 9.322 -0.205
21 HG3 LYS 2 HG3 LYS 2 15.739 7.666 0.374
22 HD2 LYS 2 HD2 LYS 2 18.068 7.707 1.092
23 HD3 LYS 2 HD3 LYS 2 18.233 9.347 0.469
24 HE2 LYS 2 HE2 LYS 2 16.608 10.159 2.042
25 HE3 LYS 2 HE3 LYS 2 16.298 8.524 2.624
26 HZ1 LYS 2 HZ1 LYS 2 18.870 9.972 2.838
27 HZ2 LYS 2 HZ2 LYS 2 18.544 8.429 3.462
28 HZ3 LYS 2 HZ3 LYS 2 17.768 9.765 4.077
29 H LYS 3 H LYS 3 13.302 7.186 -2.495
30 HA LYS 3 HA LYS 3 11.795 5.519 -2.172
31 HB2 LYS 3 HB2 LYS 3 14.189 3.685 -2.362
32 HB3 LYS 3 HB3 LYS 3 12.516 3.167 -2.417
33 HG2 LYS 3 HG2 LYS 3 12.150 4.135 -4.532
34 HG3 LYS 3 HG3 LYS 3 13.585 5.150 -4.390
35 HD2 LYS 3 HD2 LYS 3 13.671 2.139 -4.617
36 HD3 LYS 3 HD3 LYS 3 13.828 3.242 -5.987
37 HE2 LYS 3 HE2 LYS 3 15.799 4.274 -4.927
38 HE3 LYS 3 HE3 LYS 3 15.646 3.171 -3.570
39 HZ1 LYS 3 HZ1 LYS 3 17.319 2.479 -5.149
40 HZ2 LYS 3 HZ2 LYS 3 16.150 2.354 -6.369
41 HZ3 LYS 3 HZ3 LYS 3 16.090 1.350 -5.022
42 H LYS 4 H LYS 4 11.370 3.564 -0.645
43 HA LYS 4 HA LYS 4 12.866 3.485 1.795
44 HB2 LYS 4 HB2 LYS 4 11.073 4.366 3.344
45 HB3 LYS 4 HB3 LYS 4 11.525 5.579 2.175
46 HG2 LYS 4 HG2 LYS 4 9.622 5.171 0.915
47 HG3 LYS 4 HG3 LYS 4 9.125 3.915 2.063
48 HD2 LYS 4 HD2 LYS 4 8.947 5.407 3.827
49 HD3 LYS 4 HD3 LYS 4 9.891 6.637 2.979
50 HE2 LYS 4 HE2 LYS 4 7.700 7.351 2.872
51 HE3 LYS 4 HE3 LYS 4 8.248 6.643 1.327
52 HZ1 LYS 4 HZ1 LYS 4 6.584 5.180 3.304
53 HZ2 LYS 4 HZ2 LYS 4 6.880 4.662 1.727
54 HZ3 LYS 4 HZ3 LYS 4 5.915 6.000 2.029
55 H GLN 5 H GLN 5 10.339 2.307 -0.240
56 HA GLN 5 HA GLN 5 10.064 -0.054 1.469
57 HB2 GLN 5 HB2 GLN 5 7.986 1.227 -0.320
58 HB3 GLN 5 HB3 GLN 5 7.804 -0.292 0.510
59 HG2 GLN 5 HG2 GLN 5 7.636 0.679 2.580
60 HG3 GLN 5 HG3 GLN 5 8.369 2.192 2.073
61 HE21 GLN 5 HE21 GLN 5 5.506 0.299 2.186
62 HE22 GLN 5 HE22 GLN 5 4.383 1.524 1.711
63 H SER 6 H SER 6 10.973 -1.713 0.469
64 HA SER 6 HA SER 6 11.310 -1.840 -2.386
65 HB2 SER 6 HB2 SER 6 11.593 -4.010 -0.293
66 HB3 SER 6 HB3 SER 6 12.235 -4.059 -1.934
67 HG SER 6 HG SER 6 13.074 -2.630 0.291
68 H TRP 7 H TRP 7 10.389 -3.892 -3.513
69 HA TRP 7 HA TRP 7 7.692 -3.722 -3.747
70 HB2 TRP 7 HB2 TRP 7 7.757 -5.876 -4.946
71 HB3 TRP 7 HB3 TRP 7 9.088 -4.816 -5.412
72 HD1 TRP 7 HD1 TRP 7 11.569 -5.575 -4.657
73 HE1 TRP 7 HE1 TRP 7 12.509 -7.885 -3.930
74 HE3 TRP 7 HE3 TRP 7 7.194 -7.991 -3.792
75 HZ2 TRP 7 HZ2 TRP 7 11.510 -10.372 -3.127
76 HZ3 TRP 7 HZ3 TRP 7 7.252 -10.330 -3.041
77 HH2 TRP 7 HH2 TRP 7 9.357 -11.498 -2.726
78 H TYR 8 H TYR 8 9.362 -5.881 -1.571
79 HA TYR 8 HA TYR 8 6.925 -7.165 -0.747
80 HB2 TYR 8 HB2 TYR 8 8.352 -8.325 0.994
81 HB3 TYR 8 HB3 TYR 8 8.872 -8.565 -0.666
82 HD1 TYR 8 HD1 TYR 8 10.962 -7.684 -1.439
83 HD2 TYR 8 HD2 TYR 8 9.659 -6.933 2.526
84 HE1 TYR 8 HE1 TYR 8 13.210 -6.871 -0.861
85 HE2 TYR 8 HE2 TYR 8 11.875 -6.120 3.126
86 HH TYR 8 HH TYR 8 14.302 -6.490 2.217
87 H ALA 9 H ALA 9 8.766 -4.555 0.326
88 HA ALA 9 HA ALA 9 7.599 -4.323 2.939
89 HB1 ALA 9 HB1 ALA 9 9.032 -2.234 1.271
90 HB2 ALA 9 HB2 ALA 9 9.798 -3.332 2.412
91 HB3 ALA 9 HB3 ALA 9 8.666 -2.103 2.994
92 H ALA 10 H ALA 10 7.153 -2.977 -0.257
93 HA ALA 10 HA ALA 10 5.093 -1.195 0.303
94 HB1 ALA 10 HB1 ALA 10 6.453 -1.094 -1.733
95 HB2 ALA 10 HB2 ALA 10 4.731 -1.213 -2.103
96 HB3 ALA 10 HB3 ALA 10 5.769 -2.634 -2.248
97 H ALA 11 H ALA 11 5.136 -4.589 -0.689
98 HA ALA 11 HA ALA 11 2.425 -4.933 -1.221
99 HB1 ALA 11 HB1 ALA 11 4.223 -6.964 0.061
100 HB2 ALA 11 HB2 ALA 11 4.160 -6.618 -1.670
101 HB3 ALA 11 HB3 ALA 11 2.741 -7.272 -0.841
102 H GLY 12 H GLY 12 3.947 -4.938 1.936
103 HA2 GLY 12 HA2 GLY 12 1.652 -5.859 3.326
104 HA3 GLY 12 HA3 GLY 12 3.000 -4.964 4.029
105 H ASP 13 H ASP 13 3.029 -2.701 2.831
106 HA ASP 13 HA ASP 13 0.951 -1.192 4.037
107 HB2 ASP 13 HB2 ASP 13 3.156 -0.292 3.900
108 HB3 ASP 13 HB3 ASP 13 3.202 -0.519 2.163
109 H ALA 14 H ALA 14 1.739 -1.869 0.785
110 HA ALA 14 HA ALA 14 -0.154 -0.314 -0.575
111 HB1 ALA 14 HB1 ALA 14 1.889 -1.327 -1.568
112 HB2 ALA 14 HB2 ALA 14 0.428 -1.521 -2.551
113 HB3 ALA 14 HB3 ALA 14 1.051 -2.875 -1.605
114 H ILE 15 H ILE 15 -0.376 -3.654 0.539
115 HA ILE 15 HA ILE 15 -2.885 -4.021 -0.780
116 HB ILE 15 HB ILE 15 -1.509 -5.662 1.361
117 HG12 ILE 15 HG12 ILE 15 -1.971 -6.214 -1.566
118 HG13 ILE 15 HG13 ILE 15 -0.467 -5.605 -0.871
119 HG21 ILE 15 HG21 ILE 15 -4.015 -6.335 -0.160
120 HG22 ILE 15 HG22 ILE 15 -3.907 -6.007 1.586
121 HG23 ILE 15 HG23 ILE 15 -3.111 -7.430 0.887
122 HD11 ILE 15 HD11 ILE 15 -0.334 -7.983 -1.270
123 HD12 ILE 15 HD12 ILE 15 -1.789 -8.211 -0.281
124 HD13 ILE 15 HD13 ILE 15 -0.304 -7.600 0.464
125 H VAL 16 H VAL 16 -1.930 -3.316 2.443
126 HA VAL 16 HA VAL 16 -4.530 -3.173 3.558
127 HB VAL 16 HB VAL 16 -2.144 -1.521 4.411
128 HG11 VAL 16 HG11 VAL 16 -4.238 -0.721 5.368
129 HG12 VAL 16 HG12 VAL 16 -3.211 -1.441 6.609
130 HG13 VAL 16 HG13 VAL 16 -4.592 -2.341 5.974
131 HG21 VAL 16 HG21 VAL 16 -2.980 -4.297 5.257
132 HG22 VAL 16 HG22 VAL 16 -1.776 -3.315 6.089
133 HG23 VAL 16 HG23 VAL 16 -1.485 -3.825 4.433
134 H SER 17 H SER 17 -2.536 -0.795 2.044
135 HA SER 17 HA SER 17 -4.297 1.426 2.373
136 HB2 SER 17 HB2 SER 17 -1.868 1.728 2.028
137 HB3 SER 17 HB3 SER 17 -2.003 1.014 0.424
138 HG SER 17 HG SER 17 -2.970 3.493 1.365
139 H PHE 18 H PHE 18 -3.987 -1.111 0.037
140 HA PHE 18 HA PHE 18 -5.469 -0.046 -2.102
141 HB2 PHE 18 HB2 PHE 18 -3.998 -2.171 -1.883
142 HB3 PHE 18 HB3 PHE 18 -5.449 -2.938 -1.279
143 HD1 PHE 18 HD1 PHE 18 -7.576 -2.111 -2.984
144 HD2 PHE 18 HD2 PHE 18 -3.535 -2.845 -3.960
145 HE1 PHE 18 HE1 PHE 18 -8.248 -2.629 -5.312
146 HE2 PHE 18 HE2 PHE 18 -4.176 -3.353 -6.298
147 HZ PHE 18 HZ PHE 18 -6.539 -3.246 -6.964
148 H GLY 19 H GLY 19 -6.327 -2.056 0.698
149 HA2 GLY 19 HA2 GLY 19 -9.073 -2.299 0.100
150 HA3 GLY 19 HA3 GLY 19 -8.337 -2.558 1.678
151 H GLU 20 H GLU 20 -7.283 -0.106 2.181
152 HA GLU 20 HA GLU 20 -9.506 1.317 3.125
153 HB2 GLU 20 HB2 GLU 20 -6.620 2.129 2.825
154 HB3 GLU 20 HB3 GLU 20 -7.810 3.096 3.677
155 HG2 GLU 20 HG2 GLU 20 -6.944 0.306 4.413
156 HG3 GLU 20 HG3 GLU 20 -6.441 1.792 5.214
157 H GLY 21 H GLY 21 -7.400 1.726 0.465
158 HA2 GLY 21 HA2 GLY 21 -8.312 4.162 -0.565
159 HA3 GLY 21 HA3 GLY 21 -7.503 2.876 -1.471
160 H PHE 22 H PHE 22 -9.260 0.888 -1.180
161 HA PHE 22 HA PHE 22 -11.031 1.207 -3.306
162 HB2 PHE 22 HB2 PHE 22 -10.302 -0.969 -2.724
163 HB3 PHE 22 HB3 PHE 22 -10.856 -0.796 -1.070
164 HD1 PHE 22 HD1 PHE 22 -12.029 -1.172 -4.565
165 HD2 PHE 22 HD2 PHE 22 -12.978 -1.520 -0.440
166 HE1 PHE 22 HE1 PHE 22 -14.122 -2.336 -5.142
167 HE2 PHE 22 HE2 PHE 22 -15.052 -2.665 -0.991
168 HZ PHE 22 HZ PHE 22 -15.639 -3.086 -3.363
169 H LEU 23 H LEU 23 -11.506 1.759 0.078
170 HA LEU 23 HA LEU 23 -14.324 1.866 0.021
171 HB2 LEU 23 HB2 LEU 23 -12.420 3.061 2.013
172 HB3 LEU 23 HB3 LEU 23 -14.149 2.873 2.248
173 HG LEU 23 HG LEU 23 -12.106 0.670 1.996
174 HD11 LEU 23 HD11 LEU 23 -13.850 1.552 4.261
175 HD12 LEU 23 HD12 LEU 23 -12.092 1.744 4.145
176 HD13 LEU 23 HD13 LEU 23 -12.816 0.128 4.254
177 HD21 LEU 23 HD21 LEU 23 -15.101 0.450 2.320
178 HD22 LEU 23 HD22 LEU 23 -13.940 -0.878 2.433
179 HD23 LEU 23 HD23 LEU 23 -14.153 -0.026 0.903
180 H ASN 24 H ASN 24 -12.116 3.983 -1.285
181 HA ASN 24 HA ASN 24 -13.375 6.478 -0.862
182 HB2 ASN 24 HB2 ASN 24 -12.071 7.367 -2.627
183 HB3 ASN 24 HB3 ASN 24 -11.084 6.137 -1.865
184 HD21 ASN 24 HD21 ASN 24 -12.454 3.866 -3.290
185 HD22 ASN 24 HD22 ASN 24 -11.825 3.965 -4.896
186 H ALA 25 H ALA 25 -14.539 3.825 -2.492
187 HA ALA 25 HA ALA 25 -16.221 5.426 -4.286
188 HB1 ALA 25 HB1 ALA 25 -14.942 3.631 -5.363
189 HB2 ALA 25 HB2 ALA 25 -16.675 3.325 -5.461
190 HB3 ALA 25 HB3 ALA 25 -15.689 2.450 -4.287
191 H TRP 26 H TRP 26 -16.328 4.650 -1.279
192 HA TRP 26 HA TRP 26 -19.026 3.559 -1.247
193 HB2 TRP 26 HB2 TRP 26 -16.815 3.492 0.811
194 HB3 TRP 26 HB3 TRP 26 -18.485 3.069 1.185
195 HD1 TRP 26 HD1 TRP 26 -16.059 1.963 -1.668
196 HE1 TRP 26 HE1 TRP 26 -16.146 -0.592 -1.813
197 HE3 TRP 26 HE3 TRP 26 -19.326 1.041 2.155
198 HZ2 TRP 26 HZ2 TRP 26 -17.389 -2.728 -0.463
199 HZ3 TRP 26 HZ3 TRP 26 -19.901 -1.283 2.664
200 HH2 TRP 26 HH2 TRP 26 -18.944 -3.137 1.384
Start of MODEL 13
1 H1 LYS 1 HT1 LYS 1 19.165 0.485 -1.704
2 H2 LYS 1 HT2 LYS 1 19.379 0.282 -3.380
3 H3 LYS 1 HT3 LYS 1 18.017 1.030 -2.770
4 HA LYS 1 HA LYS 1 20.728 2.084 -2.428
5 HB2 LYS 1 HB2 LYS 1 18.496 2.990 -4.281
6 HB3 LYS 1 HB3 LYS 1 20.002 3.853 -4.037
7 HG2 LYS 1 HG2 LYS 1 19.645 1.146 -5.325
8 HG3 LYS 1 HG3 LYS 1 20.145 2.650 -6.107
9 HD2 LYS 1 HD2 LYS 1 22.197 2.662 -4.764
10 HD3 LYS 1 HD3 LYS 1 21.694 1.170 -3.975
11 HE2 LYS 1 HE2 LYS 1 22.341 1.533 -6.892
12 HE3 LYS 1 HE3 LYS 1 23.298 0.669 -5.699
13 HZ1 LYS 1 HZ1 LYS 1 22.064 -0.933 -6.947
14 HZ2 LYS 1 HZ2 LYS 1 20.637 -0.121 -6.759
15 HZ3 LYS 1 HZ3 LYS 1 21.349 -0.877 -5.434
16 H LYS 2 H LYS 2 20.041 4.696 -2.193
17 HA LYS 2 HA LYS 2 19.132 4.658 0.495
18 HB2 LYS 2 HB2 LYS 2 19.505 7.082 0.466
19 HB3 LYS 2 HB3 LYS 2 20.892 6.145 -0.072
20 HG2 LYS 2 HG2 LYS 2 20.300 6.630 -2.386
21 HG3 LYS 2 HG3 LYS 2 18.908 7.528 -1.816
22 HD2 LYS 2 HD2 LYS 2 21.731 8.229 -1.008
23 HD3 LYS 2 HD3 LYS 2 20.922 8.972 -2.394
24 HE2 LYS 2 HE2 LYS 2 19.189 9.836 -0.940
25 HE3 LYS 2 HE3 LYS 2 19.898 9.020 0.447
26 HZ1 LYS 2 HZ1 LYS 2 21.215 11.135 -1.140
27 HZ2 LYS 2 HZ2 LYS 2 21.817 10.416 0.272
28 HZ3 LYS 2 HZ3 LYS 2 20.433 11.359 0.334
29 H LYS 3 H LYS 3 17.017 3.790 -0.726
30 HA LYS 3 HA LYS 3 15.072 5.868 -0.092
31 HB2 LYS 3 HB2 LYS 3 14.831 3.774 -2.239
32 HB3 LYS 3 HB3 LYS 3 13.407 4.542 -1.551
33 HG2 LYS 3 HG2 LYS 3 14.424 6.746 -2.216
34 HG3 LYS 3 HG3 LYS 3 15.630 5.820 -3.119
35 HD2 LYS 3 HD2 LYS 3 13.891 4.817 -4.473
36 HD3 LYS 3 HD3 LYS 3 12.651 5.610 -3.500
37 HE2 LYS 3 HE2 LYS 3 13.451 7.784 -4.226
38 HE3 LYS 3 HE3 LYS 3 14.731 7.018 -5.159
39 HZ1 LYS 3 HZ1 LYS 3 12.817 7.640 -6.515
40 HZ2 LYS 3 HZ2 LYS 3 11.835 6.598 -5.621
41 HZ3 LYS 3 HZ3 LYS 3 13.100 5.989 -6.555
42 H LYS 4 H LYS 4 13.382 5.268 1.194
43 HA LYS 4 HA LYS 4 14.116 3.030 2.908
44 HB2 LYS 4 HB2 LYS 4 12.637 4.057 4.534
45 HB3 LYS 4 HB3 LYS 4 13.795 5.228 3.925
46 HG2 LYS 4 HG2 LYS 4 12.027 6.081 2.402
47 HG3 LYS 4 HG3 LYS 4 10.895 4.972 3.173
48 HD2 LYS 4 HD2 LYS 4 12.396 7.225 4.498
49 HD3 LYS 4 HD3 LYS 4 10.675 7.192 4.108
50 HE2 LYS 4 HE2 LYS 4 10.400 5.260 5.624
51 HE3 LYS 4 HE3 LYS 4 12.103 5.390 6.054
52 HZ1 LYS 4 HZ1 LYS 4 10.674 6.481 7.663
53 HZ2 LYS 4 HZ2 LYS 4 10.068 7.501 6.485
54 HZ3 LYS 4 HZ3 LYS 4 11.691 7.596 6.926
55 H GLN 5 H GLN 5 12.365 3.103 0.298
56 HA GLN 5 HA GLN 5 10.308 1.363 1.437
57 HB2 GLN 5 HB2 GLN 5 9.921 3.278 -0.850
58 HB3 GLN 5 HB3 GLN 5 8.776 2.051 -0.371
59 HG2 GLN 5 HG2 GLN 5 8.479 3.114 1.805
60 HG3 GLN 5 HG3 GLN 5 9.683 4.325 1.381
61 HE21 GLN 5 HE21 GLN 5 7.357 3.138 -0.937
62 HE22 GLN 5 HE22 GLN 5 6.444 4.587 -1.057
63 H SER 6 H SER 6 10.976 -0.572 0.953
64 HA SER 6 HA SER 6 12.007 -1.346 -1.590
65 HB2 SER 6 HB2 SER 6 10.791 -3.050 0.578
66 HB3 SER 6 HB3 SER 6 12.007 -3.520 -0.612
67 HG SER 6 HG SER 6 13.503 -2.675 0.564
68 H TRP 7 H TRP 7 10.688 -3.296 -2.642
69 HA TRP 7 HA TRP 7 8.304 -2.383 -3.653
70 HB2 TRP 7 HB2 TRP 7 7.911 -4.696 -4.474
71 HB3 TRP 7 HB3 TRP 7 9.543 -4.146 -4.786
72 HD1 TRP 7 HD1 TRP 7 11.513 -5.346 -3.406
73 HE1 TRP 7 HE1 TRP 7 11.647 -7.587 -2.224
74 HE3 TRP 7 HE3 TRP 7 6.529 -6.380 -3.129
75 HZ2 TRP 7 HZ2 TRP 7 9.873 -9.564 -1.263
76 HZ3 TRP 7 HZ3 TRP 7 5.822 -8.497 -2.048
77 HH2 TRP 7 HH2 TRP 7 7.459 -10.044 -1.141
78 H TYR 8 H TYR 8 8.781 -4.476 -0.900
79 HA TYR 8 HA TYR 8 5.988 -4.899 -0.483
80 HB2 TYR 8 HB2 TYR 8 6.668 -6.033 1.645
81 HB3 TYR 8 HB3 TYR 8 7.426 -6.675 0.199
82 HD1 TYR 8 HD1 TYR 8 9.758 -6.764 0.003
83 HD2 TYR 8 HD2 TYR 8 8.035 -4.538 3.168
84 HE1 TYR 8 HE1 TYR 8 11.969 -6.561 1.046
85 HE2 TYR 8 HE2 TYR 8 10.234 -4.300 4.217
86 HH TYR 8 HH TYR 8 12.338 -5.452 4.237
87 H ALA 9 H ALA 9 8.117 -2.490 0.396
88 HA ALA 9 HA ALA 9 6.780 -1.618 2.759
89 HB1 ALA 9 HB1 ALA 9 8.581 -0.011 0.920
90 HB2 ALA 9 HB2 ALA 9 9.128 -0.970 2.291
91 HB3 ALA 9 HB3 ALA 9 8.107 0.439 2.554
92 H ALA 10 H ALA 10 6.663 -0.849 -0.669
93 HA ALA 10 HA ALA 10 4.610 1.090 -0.407
94 HB1 ALA 10 HB1 ALA 10 4.503 0.932 -2.838
95 HB2 ALA 10 HB2 ALA 10 5.542 -0.493 -2.789
96 HB3 ALA 10 HB3 ALA 10 6.183 1.077 -2.309
97 H ALA 11 H ALA 11 4.802 -2.279 -1.488
98 HA ALA 11 HA ALA 11 2.118 -2.640 -2.138
99 HB1 ALA 11 HB1 ALA 11 3.951 -4.750 -1.038
100 HB2 ALA 11 HB2 ALA 11 3.935 -4.208 -2.717
101 HB3 ALA 11 HB3 ALA 11 2.513 -4.992 -2.030
102 H GLY 12 H GLY 12 3.610 -3.176 1.007
103 HA2 GLY 12 HA2 GLY 12 1.345 -4.239 2.254
104 HA3 GLY 12 HA3 GLY 12 2.647 -3.392 3.074
105 H ASP 13 H ASP 13 2.524 -0.931 2.113
106 HA ASP 13 HA ASP 13 0.374 0.205 3.593
107 HB2 ASP 13 HB2 ASP 13 2.674 1.226 3.387
108 HB3 ASP 13 HB3 ASP 13 2.327 1.486 1.695
109 H ALA 14 H ALA 14 1.175 0.010 0.287
110 HA ALA 14 HA ALA 14 -0.840 1.549 -0.872
111 HB1 ALA 14 HB1 ALA 14 0.483 -0.826 -2.151
112 HB2 ALA 14 HB2 ALA 14 1.293 0.683 -1.945
113 HB3 ALA 14 HB3 ALA 14 -0.153 0.604 -2.980
114 H ILE 15 H ILE 15 -0.784 -1.925 -0.188
115 HA ILE 15 HA ILE 15 -3.328 -2.315 -1.439
116 HB ILE 15 HB ILE 15 -1.699 -4.170 0.300
117 HG12 ILE 15 HG12 ILE 15 -2.159 -4.183 -2.680
118 HG13 ILE 15 HG13 ILE 15 -0.758 -3.473 -1.890
119 HG21 ILE 15 HG21 ILE 15 -3.119 -5.968 -0.505
120 HG22 ILE 15 HG22 ILE 15 -4.143 -4.805 -1.363
121 HG23 ILE 15 HG23 ILE 15 -4.073 -4.788 0.402
122 HD11 ILE 15 HD11 ILE 15 -0.194 -5.556 -0.946
123 HD12 ILE 15 HD12 ILE 15 -0.268 -5.704 -2.719
124 HD13 ILE 15 HD13 ILE 15 -1.575 -6.347 -1.696
125 H VAL 16 H VAL 16 -2.245 -1.915 1.807
126 HA VAL 16 HA VAL 16 -4.745 -2.319 3.046
127 HB VAL 16 HB VAL 16 -2.645 -0.318 3.943
128 HG11 VAL 16 HG11 VAL 16 -4.795 0.139 4.975
129 HG12 VAL 16 HG12 VAL 16 -3.705 -0.544 6.183
130 HG13 VAL 16 HG13 VAL 16 -4.958 -1.549 5.448
131 HG21 VAL 16 HG21 VAL 16 -1.949 -2.080 5.523
132 HG22 VAL 16 HG22 VAL 16 -1.707 -2.549 3.849
133 HG23 VAL 16 HG23 VAL 16 -3.079 -3.193 4.756
134 H SER 17 H SER 17 -3.367 0.576 1.734
135 HA SER 17 HA SER 17 -5.662 2.138 2.222
136 HB2 SER 17 HB2 SER 17 -3.254 2.618 0.502
137 HB3 SER 17 HB3 SER 17 -4.556 3.799 0.698
138 HG SER 17 HG SER 17 -4.170 3.397 3.041
139 H PHE 18 H PHE 18 -4.790 -0.004 -0.263
140 HA PHE 18 HA PHE 18 -6.509 0.916 -2.322
141 HB2 PHE 18 HB2 PHE 18 -4.602 -0.879 -2.262
142 HB3 PHE 18 HB3 PHE 18 -5.897 -1.989 -1.842
143 HD1 PHE 18 HD1 PHE 18 -7.920 -2.061 -3.465
144 HD2 PHE 18 HD2 PHE 18 -4.128 -0.430 -4.448
145 HE1 PHE 18 HE1 PHE 18 -8.441 -2.315 -5.865
146 HE2 PHE 18 HE2 PHE 18 -4.639 -0.662 -6.844
147 HZ PHE 18 HZ PHE 18 -6.795 -1.605 -7.555
148 H GLY 19 H GLY 19 -6.801 -1.244 0.428
149 HA2 GLY 19 HA2 GLY 19 -9.512 -2.018 0.068
150 HA3 GLY 19 HA3 GLY 19 -8.577 -2.104 1.560
151 H GLU 20 H GLU 20 -7.921 0.617 1.802
152 HA GLU 20 HA GLU 20 -10.202 1.710 2.993
153 HB2 GLU 20 HB2 GLU 20 -7.729 3.157 2.034
154 HB3 GLU 20 HB3 GLU 20 -8.917 3.802 3.152
155 HG2 GLU 20 HG2 GLU 20 -8.372 2.015 4.721
156 HG3 GLU 20 HG3 GLU 20 -7.116 1.443 3.622
157 H GLY 21 H GLY 21 -8.913 1.919 -0.141
158 HA2 GLY 21 HA2 GLY 21 -10.418 4.041 -1.235
159 HA3 GLY 21 HA3 GLY 21 -9.774 2.688 -2.170
160 H PHE 22 H PHE 22 -11.050 0.630 -1.111
161 HA PHE 22 HA PHE 22 -13.593 0.610 -2.307
162 HB2 PHE 22 HB2 PHE 22 -12.474 -1.490 -2.031
163 HB3 PHE 22 HB3 PHE 22 -12.302 -1.249 -0.303
164 HD1 PHE 22 HD1 PHE 22 -14.892 -1.767 -2.940
165 HD2 PHE 22 HD2 PHE 22 -13.821 -2.177 1.161
166 HE1 PHE 22 HE1 PHE 22 -16.947 -3.076 -2.524
167 HE2 PHE 22 HE2 PHE 22 -15.866 -3.461 1.583
168 HZ PHE 22 HZ PHE 22 -17.429 -3.918 -0.265
169 H LEU 23 H LEU 23 -12.574 1.180 0.955
170 HA LEU 23 HA LEU 23 -15.095 1.018 2.201
171 HB2 LEU 23 HB2 LEU 23 -12.622 2.426 3.165
172 HB3 LEU 23 HB3 LEU 23 -14.031 2.080 4.143
173 HG LEU 23 HG LEU 23 -12.138 0.069 2.941
174 HD11 LEU 23 HD11 LEU 23 -11.246 1.201 4.874
175 HD12 LEU 23 HD12 LEU 23 -11.658 -0.476 5.259
176 HD13 LEU 23 HD13 LEU 23 -12.718 0.840 5.778
177 HD21 LEU 23 HD21 LEU 23 -14.385 -0.827 2.873
178 HD22 LEU 23 HD22 LEU 23 -14.649 -0.369 4.558
179 HD23 LEU 23 HD23 LEU 23 -13.472 -1.620 4.159
180 H ASN 24 H ASN 24 -14.023 3.375 0.131
181 HA ASN 24 HA ASN 24 -15.145 5.728 1.219
182 HB2 ASN 24 HB2 ASN 24 -15.060 6.712 -0.930
183 HB3 ASN 24 HB3 ASN 24 -13.699 5.612 -0.866
184 HD21 ASN 24 HD21 ASN 24 -15.367 3.176 -1.457
185 HD22 ASN 24 HD22 ASN 24 -15.790 3.344 -3.108
186 H ALA 25 H ALA 25 -16.729 2.945 0.272
187 HA ALA 25 HA ALA 25 -19.248 4.365 -0.220
188 HB1 ALA 25 HB1 ALA 25 -18.477 1.557 -0.970
189 HB2 ALA 25 HB2 ALA 25 -18.485 2.944 -2.066
190 HB3 ALA 25 HB3 ALA 25 -19.993 2.363 -1.369
191 H TRP 26 H TRP 26 -17.646 2.962 2.303
192 HA TRP 26 HA TRP 26 -20.121 2.068 3.499
193 HB2 TRP 26 HB2 TRP 26 -17.577 0.412 3.437
194 HB3 TRP 26 HB3 TRP 26 -18.945 0.086 4.485
195 HD1 TRP 26 HD1 TRP 26 -17.678 -0.577 1.025
196 HE1 TRP 26 HE1 TRP 26 -19.444 -1.913 -0.307
197 HE3 TRP 26 HE3 TRP 26 -21.655 -0.070 4.196
198 HZ2 TRP 26 HZ2 TRP 26 -22.143 -2.625 -0.049
199 HZ3 TRP 26 HZ3 TRP 26 -23.790 -1.096 3.571
200 HH2 TRP 26 HH2 TRP 26 -24.028 -2.350 1.498
Start of MODEL 14
1 H1 LYS 1 HT1 LYS 1 19.188 7.921 -6.038
2 H2 LYS 1 HT2 LYS 1 20.611 7.129 -6.377
3 H3 LYS 1 HT3 LYS 1 20.298 7.700 -4.810
4 HA LYS 1 HA LYS 1 18.771 5.572 -6.165
5 HB2 LYS 1 HB2 LYS 1 20.601 5.424 -3.747
6 HB3 LYS 1 HB3 LYS 1 19.729 4.096 -4.489
7 HG2 LYS 1 HG2 LYS 1 21.845 5.672 -5.915
8 HG3 LYS 1 HG3 LYS 1 22.183 4.218 -4.978
9 HD2 LYS 1 HD2 LYS 1 20.816 2.903 -6.419
10 HD3 LYS 1 HD3 LYS 1 20.261 4.324 -7.304
11 HE2 LYS 1 HE2 LYS 1 22.031 3.080 -8.493
12 HE3 LYS 1 HE3 LYS 1 22.489 4.736 -8.120
13 HZ1 LYS 1 HZ1 LYS 1 23.307 2.338 -6.572
14 HZ2 LYS 1 HZ2 LYS 1 23.766 3.915 -6.227
15 HZ3 LYS 1 HZ3 LYS 1 24.286 3.186 -7.644
16 H LYS 2 H LYS 2 17.027 4.828 -4.895
17 HA LYS 2 HA LYS 2 16.127 6.751 -2.917
18 HB2 LYS 2 HB2 LYS 2 14.740 4.225 -3.831
19 HB3 LYS 2 HB3 LYS 2 14.040 5.474 -2.817
20 HG2 LYS 2 HG2 LYS 2 14.346 7.040 -4.795
21 HG3 LYS 2 HG3 LYS 2 14.725 5.598 -5.739
22 HD2 LYS 2 HD2 LYS 2 12.542 4.623 -4.998
23 HD3 LYS 2 HD3 LYS 2 12.180 6.156 -4.225
24 HE2 LYS 2 HE2 LYS 2 11.061 6.160 -6.329
25 HE3 LYS 2 HE3 LYS 2 12.428 7.259 -6.466
26 HZ1 LYS 2 HZ1 LYS 2 12.345 4.470 -7.431
27 HZ2 LYS 2 HZ2 LYS 2 13.632 5.542 -7.684
28 HZ3 LYS 2 HZ3 LYS 2 12.126 5.818 -8.384
29 H LYS 3 H LYS 3 16.560 3.426 -3.106
30 HA LYS 3 HA LYS 3 17.293 1.731 -1.746
31 HB2 LYS 3 HB2 LYS 3 19.301 3.050 -1.479
32 HB3 LYS 3 HB3 LYS 3 18.585 3.966 -0.165
33 HG2 LYS 3 HG2 LYS 3 18.406 1.817 1.121
34 HG3 LYS 3 HG3 LYS 3 19.329 1.048 -0.162
35 HD2 LYS 3 HD2 LYS 3 21.201 2.510 0.241
36 HD3 LYS 3 HD3 LYS 3 20.273 3.419 1.432
37 HE2 LYS 3 HE2 LYS 3 20.062 1.335 2.772
38 HE3 LYS 3 HE3 LYS 3 21.115 0.525 1.618
39 HZ1 LYS 3 HZ1 LYS 3 22.875 2.117 2.208
40 HZ2 LYS 3 HZ2 LYS 3 22.305 1.272 3.539
41 HZ3 LYS 3 HZ3 LYS 3 21.813 2.850 3.305
42 H LYS 4 H LYS 4 16.087 4.360 0.204
43 HA LYS 4 HA LYS 4 15.680 3.205 2.626
44 HB2 LYS 4 HB2 LYS 4 13.989 4.967 3.070
45 HB3 LYS 4 HB3 LYS 4 15.482 5.568 2.361
46 HG2 LYS 4 HG2 LYS 4 14.392 5.710 0.193
47 HG3 LYS 4 HG3 LYS 4 12.902 5.084 0.886
48 HD2 LYS 4 HD2 LYS 4 12.687 7.465 0.753
49 HD3 LYS 4 HD3 LYS 4 12.923 7.043 2.450
50 HE2 LYS 4 HE2 LYS 4 15.303 7.631 2.262
51 HE3 LYS 4 HE3 LYS 4 15.068 8.062 0.579
52 HZ1 LYS 4 HZ1 LYS 4 13.417 9.740 1.379
53 HZ2 LYS 4 HZ2 LYS 4 14.985 10.052 1.833
54 HZ3 LYS 4 HZ3 LYS 4 13.909 9.416 2.958
55 H GLN 5 H GLN 5 13.229 3.188 0.113
56 HA GLN 5 HA GLN 5 11.648 1.519 1.885
57 HB2 GLN 5 HB2 GLN 5 10.774 2.937 -0.626
58 HB3 GLN 5 HB3 GLN 5 9.766 1.855 0.315
59 HG2 GLN 5 HG2 GLN 5 9.999 3.317 2.268
60 HG3 GLN 5 HG3 GLN 5 10.963 4.434 1.309
61 HE21 GLN 5 HE21 GLN 5 8.212 2.718 0.011
62 HE22 GLN 5 HE22 GLN 5 7.184 4.079 -0.122
63 H SER 6 H SER 6 12.010 -0.420 1.770
64 HA SER 6 HA SER 6 12.960 -1.885 -0.457
65 HB2 SER 6 HB2 SER 6 13.305 -2.552 1.948
66 HB3 SER 6 HB3 SER 6 11.586 -2.878 2.061
67 HG SER 6 HG SER 6 13.569 -4.414 1.142
68 H TRP 7 H TRP 7 11.691 -3.847 -1.198
69 HA TRP 7 HA TRP 7 9.439 -3.126 -2.656
70 HB2 TRP 7 HB2 TRP 7 9.139 -5.575 -3.075
71 HB3 TRP 7 HB3 TRP 7 10.770 -4.982 -3.369
72 HD1 TRP 7 HD1 TRP 7 12.691 -5.815 -1.638
73 HE1 TRP 7 HE1 TRP 7 12.817 -7.862 -0.086
74 HE3 TRP 7 HE3 TRP 7 7.747 -7.140 -1.595
75 HZ2 TRP 7 HZ2 TRP 7 11.088 -9.789 0.989
76 HZ3 TRP 7 HZ3 TRP 7 7.074 -9.100 -0.279
77 HH2 TRP 7 HH2 TRP 7 8.711 -10.401 0.984
78 H TYR 8 H TYR 8 9.632 -4.680 0.465
79 HA TYR 8 HA TYR 8 6.795 -5.094 0.555
80 HB2 TYR 8 HB2 TYR 8 7.110 -5.928 2.854
81 HB3 TYR 8 HB3 TYR 8 8.171 -6.720 1.699
82 HD1 TYR 8 HD1 TYR 8 10.527 -6.645 1.995
83 HD2 TYR 8 HD2 TYR 8 8.014 -4.202 4.388
84 HE1 TYR 8 HE1 TYR 8 12.424 -6.110 3.434
85 HE2 TYR 8 HE2 TYR 8 9.908 -3.641 5.828
86 HH TYR 8 HH TYR 8 12.002 -4.574 6.438
87 H ALA 9 H ALA 9 8.825 -2.543 1.298
88 HA ALA 9 HA ALA 9 7.260 -1.327 3.366
89 HB1 ALA 9 HB1 ALA 9 9.245 -0.039 1.469
90 HB2 ALA 9 HB2 ALA 9 9.624 -0.710 3.058
91 HB3 ALA 9 HB3 ALA 9 8.584 0.701 2.923
92 H ALA 10 H ALA 10 7.439 -1.125 -0.127
93 HA ALA 10 HA ALA 10 5.380 0.826 -0.403
94 HB1 ALA 10 HB1 ALA 10 5.503 0.192 -2.763
95 HB2 ALA 10 HB2 ALA 10 6.559 -1.158 -2.343
96 HB3 ALA 10 HB3 ALA 10 7.115 0.500 -2.114
97 H ALA 11 H ALA 11 5.630 -2.677 -0.894
98 HA ALA 11 HA ALA 11 3.018 -3.176 -1.622
99 HB1 ALA 11 HB1 ALA 11 4.746 -5.027 0.004
100 HB2 ALA 11 HB2 ALA 11 4.865 -4.816 -1.745
101 HB3 ALA 11 HB3 ALA 11 3.397 -5.478 -1.036
102 H GLY 12 H GLY 12 4.297 -3.001 1.654
103 HA2 GLY 12 HA2 GLY 12 2.049 -3.904 3.014
104 HA3 GLY 12 HA3 GLY 12 3.267 -2.817 3.672
105 H ASP 13 H ASP 13 2.980 -0.670 2.048
106 HA ASP 13 HA ASP 13 0.586 0.548 3.131
107 HB2 ASP 13 HB2 ASP 13 2.774 1.781 2.863
108 HB3 ASP 13 HB3 ASP 13 2.540 1.640 1.137
109 H ALA 14 H ALA 14 1.833 -0.194 0.054
110 HA ALA 14 HA ALA 14 -0.080 0.880 -1.613
111 HB1 ALA 14 HB1 ALA 14 0.936 -0.409 -3.372
112 HB2 ALA 14 HB2 ALA 14 1.541 -1.574 -2.197
113 HB3 ALA 14 HB3 ALA 14 2.231 0.023 -2.230
114 H ILE 15 H ILE 15 0.050 -2.385 -0.251
115 HA ILE 15 HA ILE 15 -2.294 -3.209 -1.698
116 HB ILE 15 HB ILE 15 -0.891 -4.537 0.629
117 HG12 ILE 15 HG12 ILE 15 -0.868 -5.228 -2.304
118 HG13 ILE 15 HG13 ILE 15 0.400 -4.321 -1.479
119 HG21 ILE 15 HG21 ILE 15 -3.042 -5.656 -1.198
120 HG22 ILE 15 HG22 ILE 15 -3.254 -5.263 0.505
121 HG23 ILE 15 HG23 ILE 15 -2.173 -6.570 0.032
122 HD11 ILE 15 HD11 ILE 15 0.787 -6.201 -0.038
123 HD12 ILE 15 HD12 ILE 15 1.013 -6.628 -1.746
124 HD13 ILE 15 HD13 ILE 15 -0.462 -7.117 -0.883
125 H VAL 16 H VAL 16 -1.629 -2.129 1.490
126 HA VAL 16 HA VAL 16 -4.269 -2.474 2.456
127 HB VAL 16 HB VAL 16 -2.168 -0.516 3.451
128 HG11 VAL 16 HG11 VAL 16 -4.400 0.181 4.135
129 HG12 VAL 16 HG12 VAL 16 -3.486 -0.438 5.514
130 HG13 VAL 16 HG13 VAL 16 -4.723 -1.439 4.753
131 HG21 VAL 16 HG21 VAL 16 -1.865 -2.191 5.250
132 HG22 VAL 16 HG22 VAL 16 -1.411 -2.775 3.669
133 HG23 VAL 16 HG23 VAL 16 -2.952 -3.284 4.387
134 H SER 17 H SER 17 -2.701 0.175 0.913
135 HA SER 17 HA SER 17 -4.901 1.999 0.995
136 HB2 SER 17 HB2 SER 17 -2.506 2.706 0.650
137 HB3 SER 17 HB3 SER 17 -2.533 1.901 -0.908
138 HG SER 17 HG SER 17 -3.727 4.267 -0.092
139 H PHE 18 H PHE 18 -3.840 -0.506 -1.164
140 HA PHE 18 HA PHE 18 -5.557 -0.071 -3.357
141 HB2 PHE 18 HB2 PHE 18 -3.537 -1.698 -2.984
142 HB3 PHE 18 HB3 PHE 18 -4.744 -2.775 -2.332
143 HD1 PHE 18 HD1 PHE 18 -6.962 -2.743 -4.071
144 HD2 PHE 18 HD2 PHE 18 -2.857 -2.329 -5.007
145 HE1 PHE 18 HE1 PHE 18 -7.395 -3.634 -6.333
146 HE2 PHE 18 HE2 PHE 18 -3.274 -3.199 -7.276
147 HZ PHE 18 HZ PHE 18 -5.556 -3.846 -7.936
148 H GLY 19 H GLY 19 -5.794 -2.147 -0.508
149 HA2 GLY 19 HA2 GLY 19 -8.387 -3.130 -0.941
150 HA3 GLY 19 HA3 GLY 19 -7.554 -3.068 0.607
151 H GLU 20 H GLU 20 -7.239 -0.385 0.991
152 HA GLU 20 HA GLU 20 -9.844 0.343 1.833
153 HB2 GLU 20 HB2 GLU 20 -7.236 1.823 1.835
154 HB3 GLU 20 HB3 GLU 20 -8.689 2.530 2.515
155 HG2 GLU 20 HG2 GLU 20 -8.816 0.507 4.011
156 HG3 GLU 20 HG3 GLU 20 -7.240 0.052 3.387
157 H GLY 21 H GLY 21 -7.970 1.056 -0.897
158 HA2 GLY 21 HA2 GLY 21 -9.512 3.196 -1.944
159 HA3 GLY 21 HA3 GLY 21 -8.434 2.132 -2.858
160 H PHE 22 H PHE 22 -9.729 -0.249 -2.095
161 HA PHE 22 HA PHE 22 -11.928 -0.265 -3.934
162 HB2 PHE 22 HB2 PHE 22 -10.534 -2.206 -3.941
163 HB3 PHE 22 HB3 PHE 22 -10.677 -2.395 -2.199
164 HD1 PHE 22 HD1 PHE 22 -12.197 -3.884 -1.338
165 HD2 PHE 22 HD2 PHE 22 -12.751 -2.413 -5.285
166 HE1 PHE 22 HE1 PHE 22 -14.058 -5.434 -1.631
167 HE2 PHE 22 HE2 PHE 22 -14.633 -3.975 -5.600
168 HZ PHE 22 HZ PHE 22 -15.290 -5.494 -3.764
169 H LEU 23 H LEU 23 -11.517 -0.567 -0.477
170 HA LEU 23 HA LEU 23 -14.194 -1.110 0.232
171 HB2 LEU 23 HB2 LEU 23 -12.000 0.119 1.875
172 HB3 LEU 23 HB3 LEU 23 -13.519 -0.459 2.520
173 HG LEU 23 HG LEU 23 -11.362 -2.126 1.231
174 HD11 LEU 23 HD11 LEU 23 -10.782 -1.379 3.443
175 HD12 LEU 23 HD12 LEU 23 -11.149 -3.111 3.437
176 HD13 LEU 23 HD13 LEU 23 -12.329 -1.962 4.067
177 HD21 LEU 23 HD21 LEU 23 -13.540 -3.054 0.697
178 HD22 LEU 23 HD22 LEU 23 -14.014 -2.975 2.393
179 HD23 LEU 23 HD23 LEU 23 -12.714 -4.061 1.888
180 H ASN 24 H ASN 24 -12.966 1.632 -1.003
181 HA ASN 24 HA ASN 24 -14.150 3.772 0.409
182 HB2 ASN 24 HB2 ASN 24 -13.589 5.117 -1.416
183 HB3 ASN 24 HB3 ASN 24 -12.391 3.827 -1.399
184 HD21 ASN 24 HD21 ASN 24 -14.295 1.832 -2.718
185 HD22 ASN 24 HD22 ASN 24 -14.395 2.365 -4.343
186 H ALA 25 H ALA 25 -15.796 1.344 -1.045
187 HA ALA 25 HA ALA 25 -17.844 3.010 -2.267
188 HB1 ALA 25 HB1 ALA 25 -17.480 0.018 -2.358
189 HB2 ALA 25 HB2 ALA 25 -16.907 1.154 -3.570
190 HB3 ALA 25 HB3 ALA 25 -18.638 0.966 -3.293
191 H TRP 26 H TRP 26 -17.224 2.162 0.660
192 HA TRP 26 HA TRP 26 -19.665 0.945 1.471
193 HB2 TRP 26 HB2 TRP 26 -19.023 1.309 3.804
194 HB3 TRP 26 HB3 TRP 26 -17.665 0.695 2.882
195 HD1 TRP 26 HD1 TRP 26 -15.765 2.707 2.231
196 HE1 TRP 26 HE1 TRP 26 -14.915 4.590 3.734
197 HE3 TRP 26 HE3 TRP 26 -19.623 2.865 5.574
198 HZ2 TRP 26 HZ2 TRP 26 -15.766 5.984 6.028
199 HZ3 TRP 26 HZ3 TRP 26 -19.537 4.501 7.390
200 HH2 TRP 26 HH2 TRP 26 -17.641 6.036 7.624
Start of MODEL 15
1 H1 LYS 1 HT1 LYS 1 22.355 -3.085 -1.317
2 H2 LYS 1 HT2 LYS 1 21.129 -2.794 -0.184
3 H3 LYS 1 HT3 LYS 1 20.734 -3.028 -1.799
4 HA LYS 1 HA LYS 1 21.499 -5.277 -1.710
5 HB2 LYS 1 HB2 LYS 1 21.915 -4.612 1.189
6 HB3 LYS 1 HB3 LYS 1 22.006 -6.234 0.518
7 HG2 LYS 1 HG2 LYS 1 23.945 -5.606 -0.810
8 HG3 LYS 1 HG3 LYS 1 23.840 -3.943 -0.246
9 HD2 LYS 1 HD2 LYS 1 24.375 -6.376 1.466
10 HD3 LYS 1 HD3 LYS 1 25.567 -5.187 0.941
11 HE2 LYS 1 HE2 LYS 1 24.397 -3.451 2.201
12 HE3 LYS 1 HE3 LYS 1 23.174 -4.621 2.693
13 HZ1 LYS 1 HZ1 LYS 1 24.966 -5.888 3.765
14 HZ2 LYS 1 HZ2 LYS 1 24.719 -4.373 4.437
15 HZ3 LYS 1 HZ3 LYS 1 26.039 -4.646 3.444
16 H LYS 2 H LYS 2 19.701 -6.263 -2.017
17 HA LYS 2 HA LYS 2 17.663 -7.114 -1.965
18 HB2 LYS 2 HB2 LYS 2 16.740 -8.013 0.061
19 HB3 LYS 2 HB3 LYS 2 18.473 -8.241 0.069
20 HG2 LYS 2 HG2 LYS 2 18.691 -6.350 1.646
21 HG3 LYS 2 HG3 LYS 2 16.944 -6.159 1.638
22 HD2 LYS 2 HD2 LYS 2 18.452 -8.612 2.559
23 HD3 LYS 2 HD3 LYS 2 17.701 -7.412 3.609
24 HE2 LYS 2 HE2 LYS 2 15.502 -7.979 2.633
25 HE3 LYS 2 HE3 LYS 2 16.282 -9.211 1.639
26 HZ1 LYS 2 HZ1 LYS 2 16.989 -10.305 3.711
27 HZ2 LYS 2 HZ2 LYS 2 15.344 -10.248 3.549
28 HZ3 LYS 2 HZ3 LYS 2 16.116 -9.169 4.594
29 H LYS 3 H LYS 3 17.958 -4.101 -1.740
30 HA LYS 3 HA LYS 3 15.335 -3.413 -0.796
31 HB2 LYS 3 HB2 LYS 3 17.035 -1.809 -0.237
32 HB3 LYS 3 HB3 LYS 3 17.617 -1.738 -1.877
33 HG2 LYS 3 HG2 LYS 3 16.389 0.291 -1.188
34 HG3 LYS 3 HG3 LYS 3 15.677 -0.501 -2.585
35 HD2 LYS 3 HD2 LYS 3 13.976 0.299 -0.993
36 HD3 LYS 3 HD3 LYS 3 13.933 -1.443 -1.221
37 HE2 LYS 3 HE2 LYS 3 15.074 -1.788 0.883
38 HE3 LYS 3 HE3 LYS 3 15.258 -0.049 1.109
39 HZ1 LYS 3 HZ1 LYS 3 12.930 0.192 1.373
40 HZ2 LYS 3 HZ2 LYS 3 13.356 -1.129 2.344
41 HZ3 LYS 3 HZ3 LYS 3 12.626 -1.362 0.835
42 H LYS 4 H LYS 4 13.917 -4.267 -2.038
43 HA LYS 4 HA LYS 4 14.041 -3.816 -4.926
44 HB2 LYS 4 HB2 LYS 4 12.176 -5.469 -5.080
45 HB3 LYS 4 HB3 LYS 4 13.633 -6.133 -4.366
46 HG2 LYS 4 HG2 LYS 4 12.702 -6.050 -2.185
47 HG3 LYS 4 HG3 LYS 4 11.316 -5.118 -2.735
48 HD2 LYS 4 HD2 LYS 4 10.690 -7.418 -2.369
49 HD3 LYS 4 HD3 LYS 4 10.592 -7.044 -4.089
50 HE2 LYS 4 HE2 LYS 4 12.753 -8.143 -4.440
51 HE3 LYS 4 HE3 LYS 4 12.856 -8.469 -2.709
52 HZ1 LYS 4 HZ1 LYS 4 10.812 -9.565 -4.572
53 HZ2 LYS 4 HZ2 LYS 4 10.796 -9.755 -2.926
54 HZ3 LYS 4 HZ3 LYS 4 12.052 -10.430 -3.821
55 H GLN 5 H GLN 5 12.220 -2.977 -2.083
56 HA GLN 5 HA GLN 5 10.568 -1.161 -3.656
57 HB2 GLN 5 HB2 GLN 5 9.487 -3.085 -1.582
58 HB3 GLN 5 HB3 GLN 5 8.585 -1.800 -2.355
59 HG2 GLN 5 HG2 GLN 5 8.708 -2.850 -4.468
60 HG3 GLN 5 HG3 GLN 5 9.841 -4.060 -3.883
61 HE21 GLN 5 HE21 GLN 5 6.555 -3.046 -3.974
62 HE22 GLN 5 HE22 GLN 5 5.882 -4.507 -3.323
63 H SER 6 H SER 6 10.599 0.736 -2.763
64 HA SER 6 HA SER 6 11.658 1.064 -0.092
65 HB2 SER 6 HB2 SER 6 12.478 2.430 -2.041
66 HB3 SER 6 HB3 SER 6 10.886 3.174 -2.130
67 HG SER 6 HG SER 6 12.728 3.249 -0.008
68 H TRP 7 H TRP 7 10.471 3.154 0.930
69 HA TRP 7 HA TRP 7 8.024 2.231 1.902
70 HB2 TRP 7 HB2 TRP 7 7.786 4.484 2.963
71 HB3 TRP 7 HB3 TRP 7 9.327 3.718 3.285
72 HD1 TRP 7 HD1 TRP 7 11.496 4.840 2.224
73 HE1 TRP 7 HE1 TRP 7 11.953 7.194 1.303
74 HE3 TRP 7 HE3 TRP 7 6.682 6.458 1.705
75 HZ2 TRP 7 HZ2 TRP 7 10.475 9.440 0.487
76 HZ3 TRP 7 HZ3 TRP 7 6.290 8.730 0.853
77 HH2 TRP 7 HH2 TRP 7 8.155 10.190 0.256
78 H TYR 8 H TYR 8 8.740 4.513 -0.622
79 HA TYR 8 HA TYR 8 5.990 5.256 -0.931
80 HB2 TYR 8 HB2 TYR 8 6.741 6.510 -2.959
81 HB3 TYR 8 HB3 TYR 8 7.585 6.941 -1.478
82 HD1 TYR 8 HD1 TYR 8 7.905 5.218 -4.726
83 HD2 TYR 8 HD2 TYR 8 9.933 6.579 -1.252
84 HE1 TYR 8 HE1 TYR 8 10.038 4.852 -5.843
85 HE2 TYR 8 HE2 TYR 8 12.092 6.209 -2.362
86 HH TYR 8 HH TYR 8 12.341 5.637 -5.688
87 H ALA 9 H ALA 9 7.971 2.862 -2.164
88 HA ALA 9 HA ALA 9 6.483 2.222 -4.517
89 HB1 ALA 9 HB1 ALA 9 7.763 0.111 -4.477
90 HB2 ALA 9 HB2 ALA 9 8.335 0.499 -2.860
91 HB3 ALA 9 HB3 ALA 9 8.804 1.511 -4.227
92 H ALA 10 H ALA 10 6.646 0.956 -1.203
93 HA ALA 10 HA ALA 10 4.575 -0.905 -1.515
94 HB1 ALA 10 HB1 ALA 10 4.665 -1.035 0.918
95 HB2 ALA 10 HB2 ALA 10 5.695 0.395 0.977
96 HB3 ALA 10 HB3 ALA 10 6.292 -1.094 0.241
97 H ALA 11 H ALA 11 4.743 2.341 -0.077
98 HA ALA 11 HA ALA 11 2.057 2.524 0.697
99 HB1 ALA 11 HB1 ALA 11 2.350 4.921 0.768
100 HB2 ALA 11 HB2 ALA 11 3.815 4.796 -0.210
101 HB3 ALA 11 HB3 ALA 11 3.787 4.131 1.419
102 H GLY 12 H GLY 12 3.479 3.095 -2.457
103 HA2 GLY 12 HA2 GLY 12 1.255 4.301 -3.612
104 HA3 GLY 12 HA3 GLY 12 2.518 3.423 -4.474
105 H ASP 13 H ASP 13 2.355 0.944 -3.658
106 HA ASP 13 HA ASP 13 0.001 -0.007 -5.004
107 HB2 ASP 13 HB2 ASP 13 2.211 -1.207 -5.071
108 HB3 ASP 13 HB3 ASP 13 1.956 -1.612 -3.391
109 H ALA 14 H ALA 14 1.142 -0.109 -1.792
110 HA ALA 14 HA ALA 14 -0.704 -1.779 -0.593
111 HB1 ALA 14 HB1 ALA 14 1.428 -0.958 0.407
112 HB2 ALA 14 HB2 ALA 14 0.061 -0.897 1.528
113 HB3 ALA 14 HB3 ALA 14 0.641 0.570 0.732
114 H ILE 15 H ILE 15 -0.894 1.720 -0.990
115 HA ILE 15 HA ILE 15 -3.387 1.840 0.417
116 HB ILE 15 HB ILE 15 -1.964 3.902 -1.254
117 HG12 ILE 15 HG12 ILE 15 -2.277 3.687 1.732
118 HG13 ILE 15 HG13 ILE 15 -0.866 3.135 0.840
119 HG21 ILE 15 HG21 ILE 15 -4.392 4.251 0.511
120 HG22 ILE 15 HG22 ILE 15 -4.352 4.411 -1.247
121 HG23 ILE 15 HG23 ILE 15 -3.459 5.552 -0.232
122 HD11 ILE 15 HD11 ILE 15 -1.903 5.935 0.955
123 HD12 ILE 15 HD12 ILE 15 -0.507 5.355 0.032
124 HD13 ILE 15 HD13 ILE 15 -0.489 5.289 1.817
125 H VAL 16 H VAL 16 -2.452 1.833 -2.897
126 HA VAL 16 HA VAL 16 -5.050 2.170 -3.989
127 HB VAL 16 HB VAL 16 -2.734 0.608 -5.199
128 HG11 VAL 16 HG11 VAL 16 -3.872 0.892 -7.347
129 HG12 VAL 16 HG12 VAL 16 -5.225 1.673 -6.521
130 HG13 VAL 16 HG13 VAL 16 -4.854 -0.022 -6.199
131 HG21 VAL 16 HG21 VAL 16 -2.102 2.914 -4.840
132 HG22 VAL 16 HG22 VAL 16 -3.596 3.485 -5.581
133 HG23 VAL 16 HG23 VAL 16 -2.384 2.667 -6.560
134 H SER 17 H SER 17 -3.293 -0.650 -3.082
135 HA SER 17 HA SER 17 -5.307 -2.515 -3.779
136 HB2 SER 17 HB2 SER 17 -2.901 -2.735 -1.974
137 HB3 SER 17 HB3 SER 17 -3.895 -4.103 -2.500
138 HG SER 17 HG SER 17 -1.813 -3.132 -3.783
139 H PHE 18 H PHE 18 -4.563 -0.663 -0.945
140 HA PHE 18 HA PHE 18 -6.219 -1.939 0.938
141 HB2 PHE 18 HB2 PHE 18 -4.425 -0.025 1.132
142 HB3 PHE 18 HB3 PHE 18 -5.805 1.029 0.865
143 HD1 PHE 18 HD1 PHE 18 -3.823 -0.323 3.277
144 HD2 PHE 18 HD2 PHE 18 -7.913 0.336 2.412
145 HE1 PHE 18 HE1 PHE 18 -4.347 -0.481 5.686
146 HE2 PHE 18 HE2 PHE 18 -8.461 0.196 4.806
147 HZ PHE 18 HZ PHE 18 -6.683 -0.211 6.448
148 H GLY 19 H GLY 19 -6.689 0.750 -1.307
149 HA2 GLY 19 HA2 GLY 19 -9.374 1.331 -0.743
150 HA3 GLY 19 HA3 GLY 19 -8.549 1.687 -2.256
151 H GLU 20 H GLU 20 -7.962 -0.800 -3.188
152 HA GLU 20 HA GLU 20 -10.395 -1.720 -4.219
153 HB2 GLU 20 HB2 GLU 20 -7.674 -3.033 -4.121
154 HB3 GLU 20 HB3 GLU 20 -9.013 -3.694 -5.033
155 HG2 GLU 20 HG2 GLU 20 -7.789 -0.979 -5.467
156 HG3 GLU 20 HG3 GLU 20 -7.437 -2.421 -6.416
157 H GLY 21 H GLY 21 -8.479 -2.774 -1.589
158 HA2 GLY 21 HA2 GLY 21 -9.888 -5.147 -0.873
159 HA3 GLY 21 HA3 GLY 21 -8.848 -4.223 0.203
160 H PHE 22 H PHE 22 -10.475 -1.819 -0.322
161 HA PHE 22 HA PHE 22 -12.620 -2.270 1.514
162 HB2 PHE 22 HB2 PHE 22 -11.365 -0.214 1.616
163 HB3 PHE 22 HB3 PHE 22 -11.737 0.137 -0.066
164 HD1 PHE 22 HD1 PHE 22 -13.039 1.976 -0.175
165 HD2 PHE 22 HD2 PHE 22 -13.815 -0.921 2.794
166 HE1 PHE 22 HE1 PHE 22 -14.995 3.275 0.539
167 HE2 PHE 22 HE2 PHE 22 -15.781 0.374 3.558
168 HZ PHE 22 HZ PHE 22 -16.376 2.476 2.416
169 H LEU 23 H LEU 23 -12.326 -1.272 -1.865
170 HA LEU 23 HA LEU 23 -15.043 -0.916 -2.413
171 HB2 LEU 23 HB2 LEU 23 -12.836 -1.487 -4.378
172 HB3 LEU 23 HB3 LEU 23 -14.403 -0.820 -4.765
173 HG LEU 23 HG LEU 23 -12.189 0.487 -3.214
174 HD11 LEU 23 HD11 LEU 23 -11.890 0.527 -5.605
175 HD12 LEU 23 HD12 LEU 23 -12.286 2.137 -4.999
176 HD13 LEU 23 HD13 LEU 23 -13.517 1.176 -5.815
177 HD21 LEU 23 HD21 LEU 23 -14.984 1.486 -3.706
178 HD22 LEU 23 HD22 LEU 23 -13.638 2.421 -3.025
179 HD23 LEU 23 HD23 LEU 23 -14.269 1.017 -2.157
180 H ASN 24 H ASN 24 -13.226 -3.794 -2.422
181 HA ASN 24 HA ASN 24 -14.900 -5.306 -4.148
182 HB2 ASN 24 HB2 ASN 24 -13.821 -7.276 -3.335
183 HB3 ASN 24 HB3 ASN 24 -12.609 -6.008 -3.427
184 HD21 ASN 24 HD21 ASN 24 -13.588 -4.760 -0.742
185 HD22 ASN 24 HD22 ASN 24 -12.968 -5.875 0.380
186 H ALA 25 H ALA 25 -15.498 -4.117 -1.027
187 HA ALA 25 HA ALA 25 -17.645 -6.089 -0.618
188 HB1 ALA 25 HB1 ALA 25 -15.800 -6.419 0.961
189 HB2 ALA 25 HB2 ALA 25 -17.281 -5.907 1.764
190 HB3 ALA 25 HB3 ALA 25 -15.979 -4.750 1.503
191 H TRP 26 H TRP 26 -16.763 -2.782 -0.929
192 HA TRP 26 HA TRP 26 -19.436 -2.012 -0.155
193 HB2 TRP 26 HB2 TRP 26 -16.893 -0.545 0.640
194 HB3 TRP 26 HB3 TRP 26 -18.539 0.004 0.932
195 HD1 TRP 26 HD1 TRP 26 -15.878 -2.322 2.281
196 HE1 TRP 26 HE1 TRP 26 -16.639 -3.244 4.571
197 HE3 TRP 26 HE3 TRP 26 -20.703 -0.654 2.257
198 HZ2 TRP 26 HZ2 TRP 26 -18.984 -3.276 6.130
199 HZ3 TRP 26 HZ3 TRP 26 -22.135 -1.178 4.176
200 HH2 TRP 26 HH2 TRP 26 -21.300 -2.449 6.068
Start of MODEL 16
1 H1 LYS 1 HT1 LYS 1 -12.043 -10.904 2.117
2 H2 LYS 1 HT2 LYS 1 -13.254 -10.016 2.884
3 H3 LYS 1 HT3 LYS 1 -12.321 -9.319 1.685
4 HA LYS 1 HA LYS 1 -13.143 -10.677 0.014
5 HB2 LYS 1 HB2 LYS 1 -13.508 -12.746 1.261
6 HB3 LYS 1 HB3 LYS 1 -14.804 -12.001 2.183
7 HG2 LYS 1 HG2 LYS 1 -15.680 -13.474 0.461
8 HG3 LYS 1 HG3 LYS 1 -16.143 -11.798 0.157
9 HD2 LYS 1 HD2 LYS 1 -14.233 -11.634 -1.453
10 HD3 LYS 1 HD3 LYS 1 -13.947 -13.359 -1.219
11 HE2 LYS 1 HE2 LYS 1 -16.191 -13.838 -2.059
12 HE3 LYS 1 HE3 LYS 1 -16.487 -12.116 -2.247
13 HZ1 LYS 1 HZ1 LYS 1 -15.865 -13.112 -4.335
14 HZ2 LYS 1 HZ2 LYS 1 -14.443 -13.699 -3.694
15 HZ3 LYS 1 HZ3 LYS 1 -14.656 -12.045 -3.880
16 H LYS 2 H LYS 2 -15.342 -9.665 2.663
17 HA LYS 2 HA LYS 2 -16.988 -8.373 0.723
18 HB2 LYS 2 HB2 LYS 2 -17.889 -9.468 2.814
19 HB3 LYS 2 HB3 LYS 2 -17.106 -8.206 3.740
20 HG2 LYS 2 HG2 LYS 2 -19.470 -7.741 3.462
21 HG3 LYS 2 HG3 LYS 2 -18.472 -6.525 2.654
22 HD2 LYS 2 HD2 LYS 2 -18.910 -7.458 0.510
23 HD3 LYS 2 HD3 LYS 2 -19.671 -8.886 1.214
24 HE2 LYS 2 HE2 LYS 2 -20.715 -6.059 1.403
25 HE3 LYS 2 HE3 LYS 2 -21.300 -7.296 0.293
26 HZ1 LYS 2 HZ1 LYS 2 -21.478 -7.357 3.263
27 HZ2 LYS 2 HZ2 LYS 2 -21.899 -8.644 2.282
28 HZ3 LYS 2 HZ3 LYS 2 -22.747 -7.201 2.179
29 H LYS 3 H LYS 3 -15.708 -6.981 -0.191
30 HA LYS 3 HA LYS 3 -14.717 -5.008 -0.692
31 HB2 LYS 3 HB2 LYS 3 -15.575 -4.114 2.084
32 HB3 LYS 3 HB3 LYS 3 -14.954 -3.058 0.827
33 HG2 LYS 3 HG2 LYS 3 -16.882 -3.583 -0.565
34 HG3 LYS 3 HG3 LYS 3 -17.519 -4.647 0.686
35 HD2 LYS 3 HD2 LYS 3 -17.629 -2.715 2.210
36 HD3 LYS 3 HD3 LYS 3 -17.060 -1.675 0.904
37 HE2 LYS 3 HE2 LYS 3 -19.591 -3.311 0.879
38 HE3 LYS 3 HE3 LYS 3 -19.497 -1.569 1.155
39 HZ1 LYS 3 HZ1 LYS 3 -20.104 -2.037 -1.097
40 HZ2 LYS 3 HZ2 LYS 3 -18.805 -3.033 -1.344
41 HZ3 LYS 3 HZ3 LYS 3 -18.567 -1.370 -1.117
42 H LYS 4 H LYS 4 -12.953 -3.426 0.355
43 HA LYS 4 HA LYS 4 -11.173 -5.139 1.879
44 HB2 LYS 4 HB2 LYS 4 -9.213 -4.315 0.594
45 HB3 LYS 4 HB3 LYS 4 -10.343 -5.197 -0.411
46 HG2 LYS 4 HG2 LYS 4 -11.223 -2.983 -1.212
47 HG3 LYS 4 HG3 LYS 4 -9.918 -2.219 -0.313
48 HD2 LYS 4 HD2 LYS 4 -9.207 -2.382 -2.564
49 HD3 LYS 4 HD3 LYS 4 -8.309 -3.594 -1.659
50 HE2 LYS 4 HE2 LYS 4 -9.124 -4.438 -3.813
51 HE3 LYS 4 HE3 LYS 4 -9.789 -5.341 -2.455
52 HZ1 LYS 4 HZ1 LYS 4 -11.247 -3.154 -3.889
53 HZ2 LYS 4 HZ2 LYS 4 -11.872 -4.180 -2.699
54 HZ3 LYS 4 HZ3 LYS 4 -11.447 -4.791 -4.175
55 H GLN 5 H GLN 5 -11.080 -1.790 0.819
56 HA GLN 5 HA GLN 5 -11.566 -0.694 3.286
57 HB2 GLN 5 HB2 GLN 5 -9.285 0.235 3.721
58 HB3 GLN 5 HB3 GLN 5 -9.365 -1.501 3.923
59 HG2 GLN 5 HG2 GLN 5 -8.345 -1.752 1.672
60 HG3 GLN 5 HG3 GLN 5 -8.184 0.010 1.608
61 HE21 GLN 5 HE21 GLN 5 -6.141 -2.042 1.562
62 HE22 GLN 5 HE22 GLN 5 -5.081 -1.680 2.885
63 H SER 6 H SER 6 -11.034 1.682 3.088
64 HA SER 6 HA SER 6 -12.109 2.675 0.684
65 HB2 SER 6 HB2 SER 6 -10.649 4.198 2.853
66 HB3 SER 6 HB3 SER 6 -11.828 4.847 1.708
67 HG SER 6 HG SER 6 -12.926 2.771 2.908
68 H TRP 7 H TRP 7 -11.044 4.220 -0.803
69 HA TRP 7 HA TRP 7 -8.750 3.219 -1.965
70 HB2 TRP 7 HB2 TRP 7 -8.716 5.270 -3.371
71 HB3 TRP 7 HB3 TRP 7 -10.328 4.599 -3.227
72 HD1 TRP 7 HD1 TRP 7 -12.131 6.044 -1.842
73 HE1 TRP 7 HE1 TRP 7 -12.183 8.501 -1.147
74 HE3 TRP 7 HE3 TRP 7 -7.252 7.225 -2.694
75 HZ2 TRP 7 HZ2 TRP 7 -10.399 10.687 -0.991
76 HZ3 TRP 7 HZ3 TRP 7 -6.497 9.522 -2.245
77 HH2 TRP 7 HH2 TRP 7 -8.039 11.214 -1.412
78 H TYR 8 H TYR 8 -8.980 5.886 0.284
79 HA TYR 8 HA TYR 8 -6.201 6.517 0.101
80 HB2 TYR 8 HB2 TYR 8 -6.622 8.002 2.103
81 HB3 TYR 8 HB3 TYR 8 -7.611 8.340 0.688
82 HD1 TYR 8 HD1 TYR 8 -9.958 8.235 0.824
83 HD2 TYR 8 HD2 TYR 8 -7.626 6.798 4.059
84 HE1 TYR 8 HE1 TYR 8 -11.980 8.095 2.202
85 HE2 TYR 8 HE2 TYR 8 -9.640 6.633 5.453
86 HH TYR 8 HH TYR 8 -11.844 7.555 5.577
87 H ALA 9 H ALA 9 -8.032 4.418 1.964
88 HA ALA 9 HA ALA 9 -6.098 4.029 4.040
89 HB1 ALA 9 HB1 ALA 9 -8.457 3.537 4.437
90 HB2 ALA 9 HB2 ALA 9 -7.476 2.087 4.672
91 HB3 ALA 9 HB3 ALA 9 -8.417 2.286 3.192
92 H ALA 10 H ALA 10 -7.049 2.422 1.023
93 HA ALA 10 HA ALA 10 -5.177 0.353 1.060
94 HB1 ALA 10 HB1 ALA 10 -7.151 0.356 -0.407
95 HB2 ALA 10 HB2 ALA 10 -5.655 0.233 -1.336
96 HB3 ALA 10 HB3 ALA 10 -6.519 1.769 -1.256
97 H ALA 11 H ALA 11 -5.209 3.555 -0.439
98 HA ALA 11 HA ALA 11 -2.701 3.469 -1.610
99 HB1 ALA 11 HB1 ALA 11 -2.733 5.895 -1.606
100 HB2 ALA 11 HB2 ALA 11 -4.019 5.891 -0.394
101 HB3 ALA 11 HB3 ALA 11 -4.332 5.267 -2.009
102 H GLY 12 H GLY 12 -3.500 4.447 1.677
103 HA2 GLY 12 HA2 GLY 12 -0.941 5.224 2.490
104 HA3 GLY 12 HA3 GLY 12 -2.216 4.631 3.551
105 H ASP 13 H ASP 13 -2.501 2.072 2.588
106 HA ASP 13 HA ASP 13 -0.194 0.786 3.751
107 HB2 ASP 13 HB2 ASP 13 -2.380 -0.160 4.206
108 HB3 ASP 13 HB3 ASP 13 -2.712 -0.303 2.488
109 H ALA 14 H ALA 14 -1.651 0.868 0.682
110 HA ALA 14 HA ALA 14 -0.085 -0.928 -0.753
111 HB1 ALA 14 HB1 ALA 14 -1.479 1.467 -1.917
112 HB2 ALA 14 HB2 ALA 14 -2.337 0.092 -1.334
113 HB3 ALA 14 HB3 ALA 14 -1.199 -0.101 -2.698
114 H ILE 15 H ILE 15 0.315 2.568 -0.360
115 HA ILE 15 HA ILE 15 2.525 2.678 -2.201
116 HB ILE 15 HB ILE 15 1.572 4.717 -0.178
117 HG12 ILE 15 HG12 ILE 15 1.273 4.629 -3.180
118 HG13 ILE 15 HG13 ILE 15 0.017 4.192 -2.035
119 HG21 ILE 15 HG21 ILE 15 2.996 6.344 -1.346
120 HG22 ILE 15 HG22 ILE 15 3.609 5.056 -2.386
121 HG23 ILE 15 HG23 ILE 15 3.957 5.032 -0.657
122 HD11 ILE 15 HD11 ILE 15 1.298 6.859 -2.349
123 HD12 ILE 15 HD12 ILE 15 0.105 6.413 -1.116
124 HD13 ILE 15 HD13 ILE 15 -0.353 6.409 -2.832
125 H VAL 16 H VAL 16 2.184 2.547 1.214
126 HA VAL 16 HA VAL 16 4.954 2.731 1.770
127 HB VAL 16 HB VAL 16 2.810 1.394 3.464
128 HG11 VAL 16 HG11 VAL 16 5.057 0.599 4.082
129 HG12 VAL 16 HG12 VAL 16 4.371 1.623 5.342
130 HG13 VAL 16 HG13 VAL 16 5.594 2.274 4.244
131 HG21 VAL 16 HG21 VAL 16 3.999 4.170 3.547
132 HG22 VAL 16 HG22 VAL 16 2.926 3.495 4.770
133 HG23 VAL 16 HG23 VAL 16 2.339 3.728 3.133
134 H SER 17 H SER 17 2.898 0.038 1.120
135 HA SER 17 HA SER 17 4.909 -1.976 1.404
136 HB2 SER 17 HB2 SER 17 2.465 -2.484 1.533
137 HB3 SER 17 HB3 SER 17 2.313 -2.054 -0.168
138 HG SER 17 HG SER 17 3.668 -4.248 0.996
139 H PHE 18 H PHE 18 3.784 0.013 -1.207
140 HA PHE 18 HA PHE 18 5.125 -1.146 -3.390
141 HB2 PHE 18 HB2 PHE 18 3.319 0.731 -3.215
142 HB3 PHE 18 HB3 PHE 18 4.682 1.802 -2.995
143 HD1 PHE 18 HD1 PHE 18 6.614 1.272 -4.899
144 HD2 PHE 18 HD2 PHE 18 2.423 0.785 -5.268
145 HE1 PHE 18 HE1 PHE 18 6.816 1.544 -7.337
146 HE2 PHE 18 HE2 PHE 18 2.597 1.030 -7.720
147 HZ PHE 18 HZ PHE 18 4.800 1.412 -8.756
148 H GLY 19 H GLY 19 5.983 1.484 -1.190
149 HA2 GLY 19 HA2 GLY 19 8.551 2.004 -2.183
150 HA3 GLY 19 HA3 GLY 19 7.971 2.384 -0.561
151 H GLU 20 H GLU 20 7.499 -0.079 0.487
152 HA GLU 20 HA GLU 20 10.099 -0.950 1.141
153 HB2 GLU 20 HB2 GLU 20 7.394 -2.141 1.638
154 HB3 GLU 20 HB3 GLU 20 8.838 -2.875 2.285
155 HG2 GLU 20 HG2 GLU 20 7.731 -0.140 2.914
156 HG3 GLU 20 HG3 GLU 20 7.766 -1.545 3.975
157 H GLY 21 H GLY 21 7.806 -1.972 -1.148
158 HA2 GLY 21 HA2 GLY 21 8.879 -4.450 -1.934
159 HA3 GLY 21 HA3 GLY 21 7.920 -3.380 -2.964
160 H PHE 22 H PHE 22 9.673 -1.209 -2.812
161 HA PHE 22 HA PHE 22 11.797 -2.044 -4.567
162 HB2 PHE 22 HB2 PHE 22 10.827 0.065 -5.102
163 HB3 PHE 22 HB3 PHE 22 11.032 0.669 -3.465
164 HD1 PHE 22 HD1 PHE 22 12.687 2.233 -3.213
165 HD2 PHE 22 HD2 PHE 22 13.228 -0.819 -6.120
166 HE1 PHE 22 HE1 PHE 22 14.872 3.185 -3.805
167 HE2 PHE 22 HE2 PHE 22 15.414 0.138 -6.722
168 HZ PHE 22 HZ PHE 22 16.243 2.139 -5.554
169 H LEU 23 H LEU 23 11.564 -0.688 -1.317
170 HA LEU 23 HA LEU 23 14.319 -0.389 -0.860
171 HB2 LEU 23 HB2 LEU 23 12.127 -0.642 1.178
172 HB3 LEU 23 HB3 LEU 23 13.746 -0.069 1.481
173 HG LEU 23 HG LEU 23 11.696 1.279 -0.265
174 HD11 LEU 23 HD11 LEU 23 12.862 2.087 2.382
175 HD12 LEU 23 HD12 LEU 23 11.227 1.495 2.089
176 HD13 LEU 23 HD13 LEU 23 11.742 3.038 1.405
177 HD21 LEU 23 HD21 LEU 23 13.333 3.100 -0.454
178 HD22 LEU 23 HD22 LEU 23 13.888 1.593 -1.189
179 HD23 LEU 23 HD23 LEU 23 14.529 2.092 0.376
180 H ASN 24 H ASN 24 12.497 -3.220 -0.708
181 HA ASN 24 HA ASN 24 14.081 -4.745 1.096
182 HB2 ASN 24 HB2 ASN 24 12.997 -6.667 0.232
183 HB3 ASN 24 HB3 ASN 24 11.813 -5.366 0.224
184 HD21 ASN 24 HD21 ASN 24 13.213 -4.262 -2.334
185 HD22 ASN 24 HD22 ASN 24 12.537 -5.280 -3.541
186 H ALA 25 H ALA 25 15.061 -3.372 -1.660
187 HA ALA 25 HA ALA 25 16.859 -5.515 -2.525
188 HB1 ALA 25 HB1 ALA 25 15.520 -4.432 -4.260
189 HB2 ALA 25 HB2 ALA 25 17.240 -4.106 -4.492
190 HB3 ALA 25 HB3 ALA 25 16.192 -2.865 -3.804
191 H TRP 26 H TRP 26 17.057 -3.843 -0.121
192 HA TRP 26 HA TRP 26 19.091 -1.950 -0.249
193 HB2 TRP 26 HB2 TRP 26 19.427 -2.461 2.241
194 HB3 TRP 26 HB3 TRP 26 17.849 -1.892 1.746
195 HD1 TRP 26 HD1 TRP 26 15.842 -3.688 1.842
196 HE1 TRP 26 HE1 TRP 26 15.505 -5.785 3.250
197 HE3 TRP 26 HE3 TRP 26 20.681 -4.460 3.259
198 HZ2 TRP 26 HZ2 TRP 26 17.095 -7.564 4.782
199 HZ3 TRP 26 HZ3 TRP 26 21.189 -6.381 4.695
200 HH2 TRP 26 HH2 TRP 26 19.436 -7.898 5.448
Start of MODEL 17
1 H1 LYS 1 HT1 LYS 1 21.784 -0.436 1.726
2 H2 LYS 1 HT2 LYS 1 22.675 0.924 2.194
3 H3 LYS 1 HT3 LYS 1 22.337 0.625 0.571
4 HA LYS 1 HA LYS 1 20.268 1.238 2.563
5 HB2 LYS 1 HB2 LYS 1 21.369 2.885 0.270
6 HB3 LYS 1 HB3 LYS 1 20.099 3.376 1.364
7 HG2 LYS 1 HG2 LYS 1 21.629 3.497 3.204
8 HG3 LYS 1 HG3 LYS 1 22.931 2.826 2.222
9 HD2 LYS 1 HD2 LYS 1 21.538 5.455 1.700
10 HD3 LYS 1 HD3 LYS 1 23.101 5.264 2.502
11 HE2 LYS 1 HE2 LYS 1 23.990 4.208 0.453
12 HE3 LYS 1 HE3 LYS 1 22.439 4.471 -0.339
13 HZ1 LYS 1 HZ1 LYS 1 22.739 6.846 -0.007
14 HZ2 LYS 1 HZ2 LYS 1 23.995 6.184 -0.918
15 HZ3 LYS 1 HZ3 LYS 1 24.236 6.565 0.709
16 H LYS 2 H LYS 2 18.182 1.345 1.548
17 HA LYS 2 HA LYS 2 18.070 -0.233 -0.889
18 HB2 LYS 2 HB2 LYS 2 15.628 -0.344 -0.512
19 HB3 LYS 2 HB3 LYS 2 16.546 -0.935 0.866
20 HG2 LYS 2 HG2 LYS 2 16.107 1.104 2.085
21 HG3 LYS 2 HG3 LYS 2 15.330 1.814 0.668
22 HD2 LYS 2 HD2 LYS 2 13.678 1.002 2.290
23 HD3 LYS 2 HD3 LYS 2 13.583 0.121 0.770
24 HE2 LYS 2 HE2 LYS 2 13.385 -1.389 2.674
25 HE3 LYS 2 HE3 LYS 2 14.837 -1.733 1.749
26 HZ1 LYS 2 HZ1 LYS 2 14.732 -0.183 4.276
27 HZ2 LYS 2 HZ2 LYS 2 16.129 -0.532 3.394
28 HZ3 LYS 2 HZ3 LYS 2 15.258 -1.763 4.112
29 H LYS 3 H LYS 3 17.958 2.850 0.150
30 HA LYS 3 HA LYS 3 17.924 4.877 -0.788
31 HB2 LYS 3 HB2 LYS 3 17.903 3.405 -3.412
32 HB3 LYS 3 HB3 LYS 3 17.966 5.156 -3.263
33 HG2 LYS 3 HG2 LYS 3 20.080 4.881 -1.938
34 HG3 LYS 3 HG3 LYS 3 20.029 3.162 -2.316
35 HD2 LYS 3 HD2 LYS 3 21.499 4.304 -3.887
36 HD3 LYS 3 HD3 LYS 3 20.065 3.712 -4.729
37 HE2 LYS 3 HE2 LYS 3 19.060 5.949 -4.582
38 HE3 LYS 3 HE3 LYS 3 20.499 6.554 -3.764
39 HZ1 LYS 3 HZ1 LYS 3 20.432 7.105 -6.080
40 HZ2 LYS 3 HZ2 LYS 3 20.365 5.500 -6.535
41 HZ3 LYS 3 HZ3 LYS 3 21.748 6.125 -5.765
42 H LYS 4 H LYS 4 15.363 2.823 -1.957
43 HA LYS 4 HA LYS 4 13.589 5.146 -1.750
44 HB2 LYS 4 HB2 LYS 4 12.621 4.867 -3.866
45 HB3 LYS 4 HB3 LYS 4 14.302 4.541 -4.215
46 HG2 LYS 4 HG2 LYS 4 12.206 2.466 -3.703
47 HG3 LYS 4 HG3 LYS 4 12.680 2.979 -5.325
48 HD2 LYS 4 HD2 LYS 4 14.471 1.627 -3.273
49 HD3 LYS 4 HD3 LYS 4 13.729 0.814 -4.648
50 HE2 LYS 4 HE2 LYS 4 15.023 2.225 -6.180
51 HE3 LYS 4 HE3 LYS 4 15.748 3.058 -4.801
52 HZ1 LYS 4 HZ1 LYS 4 17.240 1.347 -5.643
53 HZ2 LYS 4 HZ2 LYS 4 16.068 0.164 -5.441
54 HZ3 LYS 4 HZ3 LYS 4 16.706 0.941 -4.104
55 H GLN 5 H GLN 5 11.222 4.124 -2.048
56 HA GLN 5 HA GLN 5 10.997 2.134 -0.072
57 HB2 GLN 5 HB2 GLN 5 8.633 2.413 -0.331
58 HB3 GLN 5 HB3 GLN 5 9.416 3.988 -0.487
59 HG2 GLN 5 HG2 GLN 5 9.190 3.841 -2.922
60 HG3 GLN 5 HG3 GLN 5 8.393 2.278 -2.682
61 HE21 GLN 5 HE21 GLN 5 6.283 2.213 -2.053
62 HE22 GLN 5 HE22 GLN 5 5.302 3.642 -1.958
63 H SER 6 H SER 6 11.341 0.207 -0.435
64 HA SER 6 HA SER 6 11.773 -0.992 -2.924
65 HB2 SER 6 HB2 SER 6 11.297 -2.301 -0.257
66 HB3 SER 6 HB3 SER 6 12.052 -3.066 -1.656
67 HG SER 6 HG SER 6 13.461 -1.064 -1.495
68 H TRP 7 H TRP 7 10.674 -3.112 -3.527
69 HA TRP 7 HA TRP 7 8.101 -2.764 -4.406
70 HB2 TRP 7 HB2 TRP 7 8.049 -5.264 -4.749
71 HB3 TRP 7 HB3 TRP 7 9.483 -4.463 -5.388
72 HD1 TRP 7 HD1 TRP 7 11.812 -4.896 -4.069
73 HE1 TRP 7 HE1 TRP 7 12.573 -6.781 -2.525
74 HE3 TRP 7 HE3 TRP 7 7.257 -6.987 -3.065
75 HZ2 TRP 7 HZ2 TRP 7 11.404 -8.915 -1.085
76 HZ3 TRP 7 HZ3 TRP 7 7.167 -8.957 -1.602
77 HH2 TRP 7 HH2 TRP 7 9.205 -9.909 -0.635
78 H TYR 8 H TYR 8 9.068 -4.314 -1.425
79 HA TYR 8 HA TYR 8 6.393 -5.040 -0.734
80 HB2 TYR 8 HB2 TYR 8 7.297 -5.784 1.438
81 HB3 TYR 8 HB3 TYR 8 8.237 -6.415 0.104
82 HD1 TYR 8 HD1 TYR 8 8.191 -4.054 2.902
83 HD2 TYR 8 HD2 TYR 8 10.559 -5.789 -0.173
84 HE1 TYR 8 HE1 TYR 8 10.211 -3.174 3.979
85 HE2 TYR 8 HE2 TYR 8 12.599 -4.904 0.912
86 HH TYR 8 HH TYR 8 12.530 -3.714 4.057
87 H ALA 9 H ALA 9 8.225 -2.271 -0.421
88 HA ALA 9 HA ALA 9 6.887 -1.133 1.856
89 HB1 ALA 9 HB1 ALA 9 9.142 -0.381 1.182
90 HB2 ALA 9 HB2 ALA 9 7.990 0.958 1.214
91 HB3 ALA 9 HB3 ALA 9 8.464 0.249 -0.324
92 H ALA 10 H ALA 10 6.565 -1.091 -1.628
93 HA ALA 10 HA ALA 10 4.351 0.714 -1.690
94 HB1 ALA 10 HB1 ALA 10 4.150 -0.050 -4.009
95 HB2 ALA 10 HB2 ALA 10 5.324 -1.331 -3.691
96 HB3 ALA 10 HB3 ALA 10 5.827 0.356 -3.641
97 H ALA 11 H ALA 11 4.751 -2.798 -1.981
98 HA ALA 11 HA ALA 11 2.097 -3.466 -2.202
99 HB1 ALA 11 HB1 ALA 11 3.956 -5.051 -2.509
100 HB2 ALA 11 HB2 ALA 11 2.693 -5.693 -1.458
101 HB3 ALA 11 HB3 ALA 11 4.191 -5.086 -0.763
102 H GLY 12 H GLY 12 3.940 -2.994 0.759
103 HA2 GLY 12 HA2 GLY 12 2.088 -3.781 2.630
104 HA3 GLY 12 HA3 GLY 12 3.308 -2.542 2.894
105 H ASP 13 H ASP 13 2.524 -0.577 1.215
106 HA ASP 13 HA ASP 13 0.205 0.454 2.594
107 HB2 ASP 13 HB2 ASP 13 2.154 1.884 1.796
108 HB3 ASP 13 HB3 ASP 13 1.549 1.618 0.182
109 H ALA 14 H ALA 14 1.013 -0.456 -0.588
110 HA ALA 14 HA ALA 14 -1.198 0.337 -2.006
111 HB1 ALA 14 HB1 ALA 14 0.999 -0.404 -2.915
112 HB2 ALA 14 HB2 ALA 14 -0.391 -1.068 -3.785
113 HB3 ALA 14 HB3 ALA 14 0.504 -2.058 -2.633
114 H ILE 15 H ILE 15 -0.666 -2.761 -0.406
115 HA ILE 15 HA ILE 15 -3.131 -3.826 -1.395
116 HB ILE 15 HB ILE 15 -1.323 -4.876 0.798
117 HG12 ILE 15 HG12 ILE 15 -1.634 -5.789 -2.059
118 HG13 ILE 15 HG13 ILE 15 -0.358 -4.716 -1.512
119 HG21 ILE 15 HG21 ILE 15 -3.618 -5.758 1.036
120 HG22 ILE 15 HG22 ILE 15 -2.510 -7.017 0.507
121 HG23 ILE 15 HG23 ILE 15 -3.597 -6.255 -0.659
122 HD11 ILE 15 HD11 ILE 15 -0.842 -7.519 -0.599
123 HD12 ILE 15 HD12 ILE 15 0.412 -6.423 0.002
124 HD13 ILE 15 HD13 ILE 15 0.449 -6.968 -1.686
125 H VAL 16 H VAL 16 -2.081 -2.430 1.568
126 HA VAL 16 HA VAL 16 -4.519 -2.772 2.984
127 HB VAL 16 HB VAL 16 -2.455 -0.578 3.328
128 HG11 VAL 16 HG11 VAL 16 -4.625 -1.502 5.217
129 HG12 VAL 16 HG12 VAL 16 -4.607 0.008 4.311
130 HG13 VAL 16 HG13 VAL 16 -3.398 -0.277 5.570
131 HG21 VAL 16 HG21 VAL 16 -1.648 -1.975 5.219
132 HG22 VAL 16 HG22 VAL 16 -1.430 -2.725 3.651
133 HG23 VAL 16 HG23 VAL 16 -2.752 -3.257 4.704
134 H SER 17 H SER 17 -3.320 -0.230 0.986
135 HA SER 17 HA SER 17 -5.603 1.424 1.217
136 HB2 SER 17 HB2 SER 17 -3.322 1.414 -0.755
137 HB3 SER 17 HB3 SER 17 -4.556 2.682 -0.649
138 HG SER 17 HG SER 17 -2.321 2.585 0.715
139 H PHE 18 H PHE 18 -4.747 -1.244 -0.784
140 HA PHE 18 HA PHE 18 -6.662 -0.969 -2.845
141 HB2 PHE 18 HB2 PHE 18 -4.621 -2.566 -2.536
142 HB3 PHE 18 HB3 PHE 18 -5.736 -3.562 -1.631
143 HD1 PHE 18 HD1 PHE 18 -8.093 -3.867 -3.040
144 HD2 PHE 18 HD2 PHE 18 -4.208 -3.254 -4.624
145 HE1 PHE 18 HE1 PHE 18 -8.787 -4.970 -5.137
146 HE2 PHE 18 HE2 PHE 18 -4.888 -4.345 -6.732
147 HZ PHE 18 HZ PHE 18 -7.169 -5.201 -6.988
148 H GLY 19 H GLY 19 -6.588 -2.520 0.319
149 HA2 GLY 19 HA2 GLY 19 -9.182 -3.602 0.354
150 HA3 GLY 19 HA3 GLY 19 -8.231 -3.185 1.777
151 H GLU 20 H GLU 20 -7.948 -0.520 1.600
152 HA GLU 20 HA GLU 20 -10.419 0.451 2.483
153 HB2 GLU 20 HB2 GLU 20 -7.939 1.929 1.605
154 HB3 GLU 20 HB3 GLU 20 -9.308 2.714 2.366
155 HG2 GLU 20 HG2 GLU 20 -7.633 0.542 3.593
156 HG3 GLU 20 HG3 GLU 20 -7.493 2.268 3.950
157 H GLY 21 H GLY 21 -8.790 0.573 -0.501
158 HA2 GLY 21 HA2 GLY 21 -10.436 2.386 -1.921
159 HA3 GLY 21 HA3 GLY 21 -9.371 1.182 -2.646
160 H PHE 22 H PHE 22 -10.681 -0.978 -1.232
161 HA PHE 22 HA PHE 22 -13.022 -1.323 -2.843
162 HB2 PHE 22 HB2 PHE 22 -11.699 -3.285 -2.523
163 HB3 PHE 22 HB3 PHE 22 -11.694 -3.080 -0.777
164 HD1 PHE 22 HD1 PHE 22 -12.899 -4.700 0.291
165 HD2 PHE 22 HD2 PHE 22 -14.321 -3.165 -3.397
166 HE1 PHE 22 HE1 PHE 22 -14.880 -6.140 0.480
167 HE2 PHE 22 HE2 PHE 22 -16.322 -4.617 -3.240
168 HZ PHE 22 HZ PHE 22 -16.597 -6.104 -1.293
169 H LEU 23 H LEU 23 -12.365 -1.090 0.633
170 HA LEU 23 HA LEU 23 -14.978 -1.514 1.562
171 HB2 LEU 23 HB2 LEU 23 -12.850 0.110 2.939
172 HB3 LEU 23 HB3 LEU 23 -14.287 -0.564 3.676
173 HG LEU 23 HG LEU 23 -11.895 -2.053 2.633
174 HD11 LEU 23 HD11 LEU 23 -11.752 -2.854 4.941
175 HD12 LEU 23 HD12 LEU 23 -13.113 -1.828 5.373
176 HD13 LEU 23 HD13 LEU 23 -11.601 -1.103 4.833
177 HD21 LEU 23 HD21 LEU 23 -13.843 -3.307 1.992
178 HD22 LEU 23 HD22 LEU 23 -14.526 -3.131 3.605
179 HD23 LEU 23 HD23 LEU 23 -13.066 -4.105 3.362
180 H ASN 24 H ASN 24 -13.557 1.437 0.520
181 HA ASN 24 HA ASN 24 -15.457 3.261 1.536
182 HB2 ASN 24 HB2 ASN 24 -14.616 4.847 -0.013
183 HB3 ASN 24 HB3 ASN 24 -13.268 3.843 0.517
184 HD21 ASN 24 HD21 ASN 24 -14.275 1.617 -1.395
185 HD22 ASN 24 HD22 ASN 24 -13.669 2.164 -2.896
186 H ALA 25 H ALA 25 -16.093 0.837 -0.601
187 HA ALA 25 HA ALA 25 -18.005 2.307 -2.240
188 HB1 ALA 25 HB1 ALA 25 -16.492 0.756 -3.373
189 HB2 ALA 25 HB2 ALA 25 -18.175 0.245 -3.526
190 HB3 ALA 25 HB3 ALA 25 -17.108 -0.571 -2.386
191 H TRP 26 H TRP 26 -18.199 1.499 0.678
192 HA TRP 26 HA TRP 26 -20.277 -0.358 0.906
193 HB2 TRP 26 HB2 TRP 26 -20.637 0.561 3.228
194 HB3 TRP 26 HB3 TRP 26 -18.998 0.066 2.883
195 HD1 TRP 26 HD1 TRP 26 -17.221 2.132 2.498
196 HE1 TRP 26 HE1 TRP 26 -17.127 4.426 3.589
197 HE3 TRP 26 HE3 TRP 26 -22.045 2.365 4.148
198 HZ2 TRP 26 HZ2 TRP 26 -18.920 6.151 4.999
199 HZ3 TRP 26 HZ3 TRP 26 -22.774 4.375 5.366
200 HH2 TRP 26 HH2 TRP 26 -21.238 6.218 5.781
Start of MODEL 18
1 H1 LYS 1 HT1 LYS 1 21.645 -7.793 -1.392
2 H2 LYS 1 HT2 LYS 1 20.039 -8.242 -1.037
3 H3 LYS 1 HT3 LYS 1 21.231 -8.422 0.104
4 HA LYS 1 HA LYS 1 21.535 -6.134 0.376
5 HB2 LYS 1 HB2 LYS 1 20.047 -4.520 -0.823
6 HB3 LYS 1 HB3 LYS 1 21.182 -5.328 -1.882
7 HG2 LYS 1 HG2 LYS 1 19.399 -6.838 -2.628
8 HG3 LYS 1 HG3 LYS 1 18.248 -6.002 -1.585
9 HD2 LYS 1 HD2 LYS 1 18.564 -3.954 -2.873
10 HD3 LYS 1 HD3 LYS 1 19.809 -4.735 -3.843
11 HE2 LYS 1 HE2 LYS 1 17.745 -4.711 -5.094
12 HE3 LYS 1 HE3 LYS 1 18.152 -6.360 -4.642
13 HZ1 LYS 1 HZ1 LYS 1 16.160 -4.660 -3.258
14 HZ2 LYS 1 HZ2 LYS 1 16.520 -6.265 -2.884
15 HZ3 LYS 1 HZ3 LYS 1 15.805 -5.893 -4.346
16 H LYS 2 H LYS 2 20.232 -4.921 1.813
17 HA LYS 2 HA LYS 2 18.088 -6.520 2.960
18 HB2 LYS 2 HB2 LYS 2 19.349 -3.962 3.952
19 HB3 LYS 2 HB3 LYS 2 18.222 -4.970 4.847
20 HG2 LYS 2 HG2 LYS 2 19.853 -6.815 4.769
21 HG3 LYS 2 HG3 LYS 2 20.968 -5.721 3.935
22 HD2 LYS 2 HD2 LYS 2 20.990 -4.238 5.861
23 HD3 LYS 2 HD3 LYS 2 19.817 -5.263 6.665
24 HE2 LYS 2 HE2 LYS 2 22.063 -5.687 7.518
25 HE3 LYS 2 HE3 LYS 2 21.406 -7.105 6.709
26 HZ1 LYS 2 HZ1 LYS 2 23.383 -5.207 5.518
27 HZ2 LYS 2 HZ2 LYS 2 22.795 -6.606 4.786
28 HZ3 LYS 2 HZ3 LYS 2 23.716 -6.712 6.172
29 H LYS 3 H LYS 3 18.627 -3.974 1.027
30 HA LYS 3 HA LYS 3 16.173 -2.531 1.366
31 HB2 LYS 3 HB2 LYS 3 18.174 -1.475 0.393
32 HB3 LYS 3 HB3 LYS 3 18.071 -2.556 -0.981
33 HG2 LYS 3 HG2 LYS 3 15.962 -1.525 -1.642
34 HG3 LYS 3 HG3 LYS 3 16.036 -0.463 -0.229
35 HD2 LYS 3 HD2 LYS 3 18.151 0.455 -1.037
36 HD3 LYS 3 HD3 LYS 3 18.058 -0.588 -2.456
37 HE2 LYS 3 HE2 LYS 3 16.004 0.525 -3.152
38 HE3 LYS 3 HE3 LYS 3 16.065 1.545 -1.714
39 HZ1 LYS 3 HZ1 LYS 3 16.945 2.670 -3.655
40 HZ2 LYS 3 HZ2 LYS 3 18.139 1.487 -3.837
41 HZ3 LYS 3 HZ3 LYS 3 18.133 2.471 -2.489
42 H LYS 4 H LYS 4 14.734 -4.180 1.354
43 HA LYS 4 HA LYS 4 14.185 -6.040 -0.660
44 HB2 LYS 4 HB2 LYS 4 11.848 -6.021 0.432
45 HB3 LYS 4 HB3 LYS 4 13.227 -6.462 1.439
46 HG2 LYS 4 HG2 LYS 4 13.271 -4.183 2.377
47 HG3 LYS 4 HG3 LYS 4 11.901 -3.731 1.383
48 HD2 LYS 4 HD2 LYS 4 11.878 -5.928 3.433
49 HD3 LYS 4 HD3 LYS 4 11.394 -4.265 3.763
50 HE2 LYS 4 HE2 LYS 4 9.619 -4.466 2.070
51 HE3 LYS 4 HE3 LYS 4 10.120 -6.127 1.754
52 HZ1 LYS 4 HZ1 LYS 4 8.228 -6.036 3.299
53 HZ2 LYS 4 HZ2 LYS 4 9.114 -5.080 4.338
54 HZ3 LYS 4 HZ3 LYS 4 9.597 -6.655 4.065
55 H GLN 5 H GLN 5 12.815 -2.893 -0.064
56 HA GLN 5 HA GLN 5 12.217 -2.227 -2.731
57 HB2 GLN 5 HB2 GLN 5 9.761 -2.094 -2.409
58 HB3 GLN 5 HB3 GLN 5 10.272 -3.768 -2.365
59 HG2 GLN 5 HG2 GLN 5 10.256 -3.607 0.127
60 HG3 GLN 5 HG3 GLN 5 9.525 -2.012 -0.041
61 HE21 GLN 5 HE21 GLN 5 7.406 -1.878 -0.781
62 HE22 GLN 5 HE22 GLN 5 6.369 -3.259 -0.806
63 H SER 6 H SER 6 10.767 -0.148 -2.370
64 HA SER 6 HA SER 6 12.132 1.288 -0.276
65 HB2 SER 6 HB2 SER 6 11.091 3.265 -1.422
66 HB3 SER 6 HB3 SER 6 12.163 2.298 -2.441
67 HG SER 6 HG SER 6 10.524 1.567 -3.551
68 H TRP 7 H TRP 7 11.035 2.570 1.204
69 HA TRP 7 HA TRP 7 8.892 1.500 2.548
70 HB2 TRP 7 HB2 TRP 7 8.757 3.743 3.708
71 HB3 TRP 7 HB3 TRP 7 10.353 3.023 3.683
72 HD1 TRP 7 HD1 TRP 7 12.223 4.231 2.142
73 HE1 TRP 7 HE1 TRP 7 12.379 6.590 1.182
74 HE3 TRP 7 HE3 TRP 7 7.362 5.700 2.777
75 HZ2 TRP 7 HZ2 TRP 7 10.684 8.810 0.748
76 HZ3 TRP 7 HZ3 TRP 7 6.729 7.962 2.064
77 HH2 TRP 7 HH2 TRP 7 8.352 9.478 1.079
78 H TYR 8 H TYR 8 8.870 3.896 0.014
79 HA TYR 8 HA TYR 8 6.072 4.417 0.343
80 HB2 TYR 8 HB2 TYR 8 6.217 5.845 -1.663
81 HB3 TYR 8 HB3 TYR 8 7.478 6.227 -0.492
82 HD1 TYR 8 HD1 TYR 8 9.808 5.927 -1.068
83 HD2 TYR 8 HD2 TYR 8 6.750 4.749 -3.775
84 HE1 TYR 8 HE1 TYR 8 11.476 5.719 -2.878
85 HE2 TYR 8 HE2 TYR 8 8.404 4.529 -5.570
86 HH TYR 8 HH TYR 8 10.540 5.380 -6.118
87 H ALA 9 H ALA 9 7.843 2.100 -1.286
88 HA ALA 9 HA ALA 9 5.926 1.428 -3.295
89 HB1 ALA 9 HB1 ALA 9 8.277 0.665 -3.442
90 HB2 ALA 9 HB2 ALA 9 7.155 -0.685 -3.518
91 HB3 ALA 9 HB3 ALA 9 8.038 -0.358 -2.031
92 H ALA 10 H ALA 10 6.493 0.418 0.056
93 HA ALA 10 HA ALA 10 4.456 -1.522 0.063
94 HB1 ALA 10 HB1 ALA 10 6.380 -1.644 1.592
95 HB2 ALA 10 HB2 ALA 10 4.870 -1.519 2.494
96 HB3 ALA 10 HB3 ALA 10 5.902 -0.104 2.302
97 H ALA 11 H ALA 11 4.898 1.711 1.446
98 HA ALA 11 HA ALA 11 2.384 2.060 2.538
99 HB1 ALA 11 HB1 ALA 11 2.813 4.433 2.501
100 HB2 ALA 11 HB2 ALA 11 4.054 4.215 1.276
101 HB3 ALA 11 HB3 ALA 11 4.292 3.558 2.908
102 H GLY 12 H GLY 12 3.373 2.838 -0.754
103 HA2 GLY 12 HA2 GLY 12 0.982 4.051 -1.546
104 HA3 GLY 12 HA3 GLY 12 2.149 3.283 -2.611
105 H ASP 13 H ASP 13 2.124 0.764 -2.023
106 HA ASP 13 HA ASP 13 -0.199 -0.177 -3.362
107 HB2 ASP 13 HB2 ASP 13 2.154 -1.129 -3.477
108 HB3 ASP 13 HB3 ASP 13 1.875 -1.787 -1.880
109 H ALA 14 H ALA 14 0.994 -0.508 -0.174
110 HA ALA 14 HA ALA 14 -0.951 -2.188 0.929
111 HB1 ALA 14 HB1 ALA 14 1.270 -1.772 1.910
112 HB2 ALA 14 HB2 ALA 14 -0.012 -1.544 3.107
113 HB3 ALA 14 HB3 ALA 14 0.778 -0.156 2.340
114 H ILE 15 H ILE 15 -0.802 1.348 0.816
115 HA ILE 15 HA ILE 15 -3.178 1.603 2.395
116 HB ILE 15 HB ILE 15 -1.650 3.660 0.794
117 HG12 ILE 15 HG12 ILE 15 -1.954 3.345 3.774
118 HG13 ILE 15 HG13 ILE 15 -0.595 2.709 2.842
119 HG21 ILE 15 HG21 ILE 15 -3.998 4.366 0.880
120 HG22 ILE 15 HG22 ILE 15 -2.995 5.387 1.913
121 HG23 ILE 15 HG23 ILE 15 -4.004 4.127 2.630
122 HD11 ILE 15 HD11 ILE 15 -1.399 5.572 3.099
123 HD12 ILE 15 HD12 ILE 15 -0.090 4.902 2.111
124 HD13 ILE 15 HD13 ILE 15 -0.020 4.756 3.883
125 H VAL 16 H VAL 16 -2.481 1.695 -0.954
126 HA VAL 16 HA VAL 16 -5.075 2.394 -1.801
127 HB VAL 16 HB VAL 16 -3.136 0.599 -3.300
128 HG11 VAL 16 HG11 VAL 16 -5.419 0.289 -4.142
129 HG12 VAL 16 HG12 VAL 16 -4.455 1.173 -5.321
130 HG13 VAL 16 HG13 VAL 16 -5.608 2.034 -4.299
131 HG21 VAL 16 HG21 VAL 16 -2.251 2.810 -2.874
132 HG22 VAL 16 HG22 VAL 16 -3.713 3.547 -3.537
133 HG23 VAL 16 HG23 VAL 16 -2.629 2.628 -4.585
134 H SER 17 H SER 17 -3.714 -0.729 -1.198
135 HA SER 17 HA SER 17 -6.123 -2.098 -1.745
136 HB2 SER 17 HB2 SER 17 -3.594 -2.970 -0.392
137 HB3 SER 17 HB3 SER 17 -4.931 -4.061 -0.790
138 HG SER 17 HG SER 17 -4.651 -2.943 -2.979
139 H PHE 18 H PHE 18 -4.864 -0.557 1.044
140 HA PHE 18 HA PHE 18 -6.462 -1.750 3.037
141 HB2 PHE 18 HB2 PHE 18 -4.491 0.023 3.098
142 HB3 PHE 18 HB3 PHE 18 -5.813 1.171 3.017
143 HD1 PHE 18 HD1 PHE 18 -7.730 0.812 4.807
144 HD2 PHE 18 HD2 PHE 18 -3.763 -0.656 5.155
145 HE1 PHE 18 HE1 PHE 18 -7.994 0.664 7.250
146 HE2 PHE 18 HE2 PHE 18 -4.026 -0.809 7.600
147 HZ PHE 18 HZ PHE 18 -6.152 -0.144 8.642
148 H GLY 19 H GLY 19 -6.842 0.976 0.824
149 HA2 GLY 19 HA2 GLY 19 -9.441 1.797 1.571
150 HA3 GLY 19 HA3 GLY 19 -8.635 2.132 0.041
151 H GLU 20 H GLU 20 -8.234 -0.389 -0.940
152 HA GLU 20 HA GLU 20 -10.671 -1.108 -2.077
153 HB2 GLU 20 HB2 GLU 20 -8.217 -2.819 -1.743
154 HB3 GLU 20 HB3 GLU 20 -9.540 -3.143 -2.846
155 HG2 GLU 20 HG2 GLU 20 -9.031 -1.122 -4.086
156 HG3 GLU 20 HG3 GLU 20 -7.724 -0.745 -2.968
157 H GLY 21 H GLY 21 -9.054 -2.245 0.690
158 HA2 GLY 21 HA2 GLY 21 -10.662 -4.468 1.384
159 HA3 GLY 21 HA3 GLY 21 -9.755 -3.474 2.546
160 H PHE 22 H PHE 22 -10.888 -1.147 2.372
161 HA PHE 22 HA PHE 22 -13.315 -1.337 3.797
162 HB2 PHE 22 HB2 PHE 22 -11.931 0.595 4.130
163 HB3 PHE 22 HB3 PHE 22 -11.977 0.991 2.415
164 HD1 PHE 22 HD1 PHE 22 -13.754 2.262 1.497
165 HD2 PHE 22 HD2 PHE 22 -13.942 0.951 5.538
166 HE1 PHE 22 HE1 PHE 22 -15.656 3.740 1.863
167 HE2 PHE 22 HE2 PHE 22 -15.865 2.439 5.926
168 HZ PHE 22 HZ PHE 22 -16.724 3.845 4.093
169 H LEU 23 H LEU 23 -12.626 -0.698 0.438
170 HA LEU 23 HA LEU 23 -15.218 0.037 -0.369
171 HB2 LEU 23 HB2 LEU 23 -12.949 -1.045 -2.019
172 HB3 LEU 23 HB3 LEU 23 -14.428 -0.373 -2.667
173 HG LEU 23 HG LEU 23 -12.400 1.160 -1.025
174 HD11 LEU 23 HD11 LEU 23 -11.939 2.352 -3.092
175 HD12 LEU 23 HD12 LEU 23 -13.061 1.302 -3.948
176 HD13 LEU 23 HD13 LEU 23 -11.588 0.631 -3.245
177 HD21 LEU 23 HD21 LEU 23 -13.736 3.124 -1.636
178 HD22 LEU 23 HD22 LEU 23 -14.648 1.987 -0.645
179 HD23 LEU 23 HD23 LEU 23 -14.934 2.066 -2.387
180 H ASN 24 H ASN 24 -14.212 -2.957 0.597
181 HA ASN 24 HA ASN 24 -15.529 -4.780 -1.056
182 HB2 ASN 24 HB2 ASN 24 -15.469 -6.351 0.730
183 HB3 ASN 24 HB3 ASN 24 -14.031 -5.353 0.869
184 HD21 ASN 24 HD21 ASN 24 -15.509 -3.082 2.221
185 HD22 ASN 24 HD22 ASN 24 -15.794 -3.675 3.799
186 H ALA 25 H ALA 25 -16.980 -2.342 0.712
187 HA ALA 25 HA ALA 25 -19.457 -3.768 1.203
188 HB1 ALA 25 HB1 ALA 25 -20.116 -1.841 2.457
189 HB2 ALA 25 HB2 ALA 25 -18.698 -0.956 1.889
190 HB3 ALA 25 HB3 ALA 25 -18.495 -2.333 2.960
191 H TRP 26 H TRP 26 -18.045 -1.825 -1.190
192 HA TRP 26 HA TRP 26 -20.666 -1.292 -2.350
193 HB2 TRP 26 HB2 TRP 26 -18.450 0.769 -2.111
194 HB3 TRP 26 HB3 TRP 26 -19.892 0.969 -3.088
195 HD1 TRP 26 HD1 TRP 26 -18.601 1.419 0.385
196 HE1 TRP 26 HE1 TRP 26 -20.466 2.358 1.892
197 HE3 TRP 26 HE3 TRP 26 -22.573 0.760 -2.745
198 HZ2 TRP 26 HZ2 TRP 26 -23.247 2.748 1.779
199 HZ3 TRP 26 HZ3 TRP 26 -24.814 1.432 -1.961
200 HH2 TRP 26 HH2 TRP 26 -25.135 2.411 0.249
Start of MODEL 19
1 H1 LYS 1 HT1 LYS 1 -15.425 6.455 -3.422
2 H2 LYS 1 HT2 LYS 1 -15.772 7.582 -4.610
3 H3 LYS 1 HT3 LYS 1 -16.831 6.314 -4.325
4 HA LYS 1 HA LYS 1 -16.182 8.443 -2.409
5 HB2 LYS 1 HB2 LYS 1 -18.651 8.038 -4.066
6 HB3 LYS 1 HB3 LYS 1 -18.514 9.198 -2.761
7 HG2 LYS 1 HG2 LYS 1 -16.722 10.372 -4.002
8 HG3 LYS 1 HG3 LYS 1 -16.903 9.200 -5.302
9 HD2 LYS 1 HD2 LYS 1 -19.070 11.040 -4.330
10 HD3 LYS 1 HD3 LYS 1 -18.078 11.307 -5.764
11 HE2 LYS 1 HE2 LYS 1 -18.919 9.227 -6.732
12 HE3 LYS 1 HE3 LYS 1 -19.904 8.948 -5.298
13 HZ1 LYS 1 HZ1 LYS 1 -20.173 11.257 -7.126
14 HZ2 LYS 1 HZ2 LYS 1 -21.097 10.964 -5.760
15 HZ3 LYS 1 HZ3 LYS 1 -21.203 9.917 -7.070
16 H LYS 2 H LYS 2 -15.755 6.448 -1.099
17 HA LYS 2 HA LYS 2 -17.663 6.349 0.878
18 HB2 LYS 2 HB2 LYS 2 -18.872 4.733 -0.638
19 HB3 LYS 2 HB3 LYS 2 -17.448 3.698 -0.602
20 HG2 LYS 2 HG2 LYS 2 -17.726 3.295 1.744
21 HG3 LYS 2 HG3 LYS 2 -19.028 4.478 1.831
22 HD2 LYS 2 HD2 LYS 2 -20.391 3.060 0.323
23 HD3 LYS 2 HD3 LYS 2 -19.085 1.873 0.289
24 HE2 LYS 2 HE2 LYS 2 -19.307 1.505 2.664
25 HE3 LYS 2 HE3 LYS 2 -20.511 2.785 2.777
26 HZ1 LYS 2 HZ1 LYS 2 -21.482 0.579 2.768
27 HZ2 LYS 2 HZ2 LYS 2 -20.841 0.249 1.262
28 HZ3 LYS 2 HZ3 LYS 2 -22.020 1.454 1.443
29 H LYS 3 H LYS 3 -16.010 6.941 2.014
30 HA LYS 3 HA LYS 3 -14.286 6.872 3.333
31 HB2 LYS 3 HB2 LYS 3 -14.714 3.902 3.143
32 HB3 LYS 3 HB3 LYS 3 -13.341 4.544 4.029
33 HG2 LYS 3 HG2 LYS 3 -15.174 4.086 5.553
34 HG3 LYS 3 HG3 LYS 3 -14.862 5.816 5.464
35 HD2 LYS 3 HD2 LYS 3 -16.771 5.978 3.832
36 HD3 LYS 3 HD3 LYS 3 -17.115 4.281 4.173
37 HE2 LYS 3 HE2 LYS 3 -17.072 6.509 6.209
38 HE3 LYS 3 HE3 LYS 3 -18.511 5.835 5.472
39 HZ1 LYS 3 HZ1 LYS 3 -18.088 4.939 7.633
40 HZ2 LYS 3 HZ2 LYS 3 -16.596 4.321 7.144
41 HZ3 LYS 3 HZ3 LYS 3 -18.027 3.728 6.465
42 H LYS 4 H LYS 4 -13.059 4.092 1.473
43 HA LYS 4 HA LYS 4 -11.601 5.817 -0.174
44 HB2 LYS 4 HB2 LYS 4 -9.304 5.221 0.548
45 HB3 LYS 4 HB3 LYS 4 -10.225 6.271 1.611
46 HG2 LYS 4 HG2 LYS 4 -10.696 4.261 3.034
47 HG3 LYS 4 HG3 LYS 4 -9.541 3.369 2.028
48 HD2 LYS 4 HD2 LYS 4 -8.388 4.177 3.994
49 HD3 LYS 4 HD3 LYS 4 -7.821 5.088 2.599
50 HE2 LYS 4 HE2 LYS 4 -9.430 6.914 3.184
51 HE3 LYS 4 HE3 LYS 4 -9.864 6.012 4.628
52 HZ1 LYS 4 HZ1 LYS 4 -7.188 7.138 3.993
53 HZ2 LYS 4 HZ2 LYS 4 -7.571 6.281 5.392
54 HZ3 LYS 4 HZ3 LYS 4 -8.326 7.745 5.065
55 H GLN 5 H GLN 5 -11.288 2.488 0.978
56 HA GLN 5 HA GLN 5 -11.677 1.489 -1.592
57 HB2 GLN 5 HB2 GLN 5 -9.352 0.678 -2.026
58 HB3 GLN 5 HB3 GLN 5 -9.593 2.405 -2.162
59 HG2 GLN 5 HG2 GLN 5 -8.593 2.718 0.061
60 HG3 GLN 5 HG3 GLN 5 -8.308 0.975 0.152
61 HE21 GLN 5 HE21 GLN 5 -6.069 1.439 0.354
62 HE22 GLN 5 HE22 GLN 5 -5.130 1.816 -1.034
63 H SER 6 H SER 6 -11.633 -0.712 -1.682
64 HA SER 6 HA SER 6 -12.383 -2.113 0.604
65 HB2 SER 6 HB2 SER 6 -11.448 -3.194 -2.039
66 HB3 SER 6 HB3 SER 6 -12.495 -4.005 -0.880
67 HG SER 6 HG SER 6 -14.067 -3.066 -1.874
68 H TRP 7 H TRP 7 -11.391 -4.191 1.312
69 HA TRP 7 HA TRP 7 -8.964 -3.938 2.526
70 HB2 TRP 7 HB2 TRP 7 -9.006 -6.388 2.885
71 HB3 TRP 7 HB3 TRP 7 -10.525 -5.601 3.271
72 HD1 TRP 7 HD1 TRP 7 -12.601 -6.148 1.650
73 HE1 TRP 7 HE1 TRP 7 -13.087 -8.080 0.047
74 HE3 TRP 7 HE3 TRP 7 -7.908 -8.051 1.289
75 HZ2 TRP 7 HZ2 TRP 7 -11.651 -10.169 -1.222
76 HZ3 TRP 7 HZ3 TRP 7 -7.540 -10.025 -0.142
77 HH2 TRP 7 HH2 TRP 7 -9.373 -11.055 -1.363
78 H TYR 8 H TYR 8 -9.505 -5.472 -0.572
79 HA TYR 8 HA TYR 8 -6.800 -6.368 -0.826
80 HB2 TYR 8 HB2 TYR 8 -7.359 -6.891 -3.207
81 HB3 TYR 8 HB3 TYR 8 -8.468 -7.599 -2.045
82 HD1 TYR 8 HD1 TYR 8 -10.757 -6.901 -1.944
83 HD2 TYR 8 HD2 TYR 8 -8.094 -5.062 -4.687
84 HE1 TYR 8 HE1 TYR 8 -12.671 -5.879 -3.121
85 HE2 TYR 8 HE2 TYR 8 -9.986 -4.045 -5.868
86 HH TYR 8 HH TYR 8 -12.328 -4.414 -6.155
87 H ALA 9 H ALA 9 -8.447 -3.567 -1.686
88 HA ALA 9 HA ALA 9 -6.463 -2.528 -3.459
89 HB1 ALA 9 HB1 ALA 9 -8.728 -1.188 -2.015
90 HB2 ALA 9 HB2 ALA 9 -8.782 -1.810 -3.664
91 HB3 ALA 9 HB3 ALA 9 -7.765 -0.415 -3.274
92 H ALA 10 H ALA 10 -7.324 -2.130 -0.008
93 HA ALA 10 HA ALA 10 -5.409 -0.231 0.599
94 HB1 ALA 10 HB1 ALA 10 -7.377 -0.653 1.977
95 HB2 ALA 10 HB2 ALA 10 -5.894 -0.888 2.906
96 HB3 ALA 10 HB3 ALA 10 -6.799 -2.283 2.320
97 H ALA 11 H ALA 11 -5.548 -3.754 0.958
98 HA ALA 11 HA ALA 11 -2.974 -4.147 1.998
99 HB1 ALA 11 HB1 ALA 11 -4.477 -5.967 0.123
100 HB2 ALA 11 HB2 ALA 11 -4.711 -5.899 1.870
101 HB3 ALA 11 HB3 ALA 11 -3.162 -6.421 1.204
102 H GLY 12 H GLY 12 -3.974 -4.066 -1.372
103 HA2 GLY 12 HA2 GLY 12 -1.424 -4.584 -2.404
104 HA3 GLY 12 HA3 GLY 12 -2.729 -3.772 -3.265
105 H ASP 13 H ASP 13 -3.107 -1.512 -2.021
106 HA ASP 13 HA ASP 13 -1.020 0.155 -2.939
107 HB2 ASP 13 HB2 ASP 13 -3.335 0.892 -2.925
108 HB3 ASP 13 HB3 ASP 13 -3.394 0.722 -1.178
109 H ALA 14 H ALA 14 -2.035 -0.682 0.222
110 HA ALA 14 HA ALA 14 -0.282 0.909 1.722
111 HB1 ALA 14 HB1 ALA 14 -0.974 -0.415 3.633
112 HB2 ALA 14 HB2 ALA 14 -1.419 -1.747 2.553
113 HB3 ALA 14 HB3 ALA 14 -2.360 -0.299 2.519
114 H ILE 15 H ILE 15 0.063 -2.396 0.579
115 HA ILE 15 HA ILE 15 2.615 -2.756 1.820
116 HB ILE 15 HB ILE 15 1.198 -4.399 -0.290
117 HG12 ILE 15 HG12 ILE 15 1.646 -4.986 2.624
118 HG13 ILE 15 HG13 ILE 15 0.167 -4.269 1.974
119 HG21 ILE 15 HG21 ILE 15 3.695 -5.100 1.264
120 HG22 ILE 15 HG22 ILE 15 3.597 -4.789 -0.477
121 HG23 ILE 15 HG23 ILE 15 2.778 -6.191 0.222
122 HD11 ILE 15 HD11 ILE 15 1.311 -6.959 1.314
123 HD12 ILE 15 HD12 ILE 15 -0.105 -6.208 0.570
124 HD13 ILE 15 HD13 ILE 15 -0.142 -6.636 2.290
125 H VAL 16 H VAL 16 1.526 -1.894 -1.325
126 HA VAL 16 HA VAL 16 4.007 -1.792 -2.614
127 HB VAL 16 HB VAL 16 1.601 0.008 -3.062
128 HG11 VAL 16 HG11 VAL 16 3.627 1.211 -3.805
129 HG12 VAL 16 HG12 VAL 16 2.654 0.704 -5.184
130 HG13 VAL 16 HG13 VAL 16 4.111 -0.193 -4.755
131 HG21 VAL 16 HG21 VAL 16 2.733 -2.297 -4.644
132 HG22 VAL 16 HG22 VAL 16 1.314 -1.339 -5.082
133 HG23 VAL 16 HG23 VAL 16 1.292 -2.333 -3.624
134 H SER 17 H SER 17 2.446 0.690 -0.763
135 HA SER 17 HA SER 17 4.614 2.508 -1.003
136 HB2 SER 17 HB2 SER 17 2.224 2.494 0.829
137 HB3 SER 17 HB3 SER 17 3.391 3.813 0.719
138 HG SER 17 HG SER 17 2.896 3.486 -1.682
139 H PHE 18 H PHE 18 3.853 -0.030 1.171
140 HA PHE 18 HA PHE 18 5.583 0.599 3.308
141 HB2 PHE 18 HB2 PHE 18 3.751 -1.232 2.990
142 HB3 PHE 18 HB3 PHE 18 5.051 -2.181 2.298
143 HD1 PHE 18 HD1 PHE 18 3.277 -1.646 5.139
144 HD2 PHE 18 HD2 PHE 18 7.291 -2.115 3.876
145 HE1 PHE 18 HE1 PHE 18 3.903 -2.344 7.421
146 HE2 PHE 18 HE2 PHE 18 7.934 -2.834 6.147
147 HZ PHE 18 HZ PHE 18 6.237 -2.954 7.919
148 H GLY 19 H GLY 19 5.906 -1.269 0.329
149 HA2 GLY 19 HA2 GLY 19 8.622 -1.951 0.572
150 HA3 GLY 19 HA3 GLY 19 7.686 -1.908 -0.925
151 H GLU 20 H GLU 20 6.985 0.740 -1.045
152 HA GLU 20 HA GLU 20 9.242 2.008 -2.122
153 HB2 GLU 20 HB2 GLU 20 6.734 3.300 -1.065
154 HB3 GLU 20 HB3 GLU 20 7.892 4.037 -2.159
155 HG2 GLU 20 HG2 GLU 20 7.343 2.370 -3.855
156 HG3 GLU 20 HG3 GLU 20 6.182 1.638 -2.747
157 H GLY 21 H GLY 21 7.801 2.183 0.968
158 HA2 GLY 21 HA2 GLY 21 9.359 4.204 2.162
159 HA3 GLY 21 HA3 GLY 21 8.585 2.873 3.029
160 H PHE 22 H PHE 22 9.755 0.752 2.190
161 HA PHE 22 HA PHE 22 12.205 0.582 3.539
162 HB2 PHE 22 HB2 PHE 22 10.931 -1.423 3.265
163 HB3 PHE 22 HB3 PHE 22 10.895 -1.240 1.518
164 HD1 PHE 22 HD1 PHE 22 12.580 -2.120 0.166
165 HD2 PHE 22 HD2 PHE 22 13.079 -2.042 4.382
166 HE1 PHE 22 HE1 PHE 22 14.541 -3.530 -0.064
167 HE2 PHE 22 HE2 PHE 22 15.071 -3.469 4.169
168 HZ PHE 22 HZ PHE 22 15.807 -4.217 1.945
169 H LEU 23 H LEU 23 11.486 1.060 0.160
170 HA LEU 23 HA LEU 23 14.044 0.653 -0.869
171 HB2 LEU 23 HB2 LEU 23 11.764 2.241 -2.001
172 HB3 LEU 23 HB3 LEU 23 13.238 1.891 -2.888
173 HG LEU 23 HG LEU 23 11.222 -0.110 -1.884
174 HD11 LEU 23 HD11 LEU 23 11.913 0.782 -4.671
175 HD12 LEU 23 HD12 LEU 23 10.416 1.104 -3.796
176 HD13 LEU 23 HD13 LEU 23 10.837 -0.548 -4.249
177 HD21 LEU 23 HD21 LEU 23 12.557 -1.761 -3.125
178 HD22 LEU 23 HD22 LEU 23 13.415 -1.091 -1.750
179 HD23 LEU 23 HD23 LEU 23 13.808 -0.543 -3.384
180 H ASN 24 H ASN 24 13.106 3.169 1.073
181 HA ASN 24 HA ASN 24 14.575 5.347 0.054
182 HB2 ASN 24 HB2 ASN 24 14.446 6.341 2.207
183 HB3 ASN 24 HB3 ASN 24 12.954 5.451 2.000
184 HD21 ASN 24 HD21 ASN 24 14.318 2.825 2.674
185 HD22 ASN 24 HD22 ASN 24 14.568 2.872 4.366
186 H ALA 25 H ALA 25 15.711 2.412 1.265
187 HA ALA 25 HA ALA 25 18.253 3.482 2.239
188 HB1 ALA 25 HB1 ALA 25 17.036 1.973 3.716
189 HB2 ALA 25 HB2 ALA 25 18.555 1.243 3.200
190 HB3 ALA 25 HB3 ALA 25 17.037 0.726 2.468
191 H TRP 26 H TRP 26 17.367 3.206 -0.558
192 HA TRP 26 HA TRP 26 18.857 1.111 -1.755
193 HB2 TRP 26 HB2 TRP 26 18.347 2.173 -3.917
194 HB3 TRP 26 HB3 TRP 26 16.915 2.052 -2.916
195 HD1 TRP 26 HD1 TRP 26 16.597 4.665 -1.454
196 HE1 TRP 26 HE1 TRP 26 16.485 6.948 -2.615
197 HE3 TRP 26 HE3 TRP 26 18.892 3.448 -5.838
198 HZ2 TRP 26 HZ2 TRP 26 17.271 8.085 -5.068
199 HZ3 TRP 26 HZ3 TRP 26 19.164 5.178 -7.542
200 HH2 TRP 26 HH2 TRP 26 18.375 7.456 -7.167
Start of MODEL 20
1 H1 LYS 1 HT1 LYS 1 -19.247 -9.947 0.998
2 H2 LYS 1 HT2 LYS 1 -19.240 -10.524 -0.577
3 H3 LYS 1 HT3 LYS 1 -20.478 -9.493 -0.073
4 HA LYS 1 HA LYS 1 -18.933 -8.348 -1.444
5 HB2 LYS 1 HB2 LYS 1 -18.414 -6.486 0.071
6 HB3 LYS 1 HB3 LYS 1 -20.024 -7.104 0.385
7 HG2 LYS 1 HG2 LYS 1 -19.171 -8.327 2.321
8 HG3 LYS 1 HG3 LYS 1 -17.552 -7.699 2.006
9 HD2 LYS 1 HD2 LYS 1 -18.410 -5.408 2.318
10 HD3 LYS 1 HD3 LYS 1 -20.007 -6.074 2.675
11 HE2 LYS 1 HE2 LYS 1 -19.056 -7.305 4.563
12 HE3 LYS 1 HE3 LYS 1 -17.480 -6.605 4.224
13 HZ1 LYS 1 HZ1 LYS 1 -19.910 -5.087 4.982
14 HZ2 LYS 1 HZ2 LYS 1 -18.377 -4.426 4.687
15 HZ3 LYS 1 HZ3 LYS 1 -18.613 -5.446 5.982
16 H LYS 2 H LYS 2 -16.770 -7.608 -1.753
17 HA LYS 2 HA LYS 2 -14.752 -9.327 -0.458
18 HB2 LYS 2 HB2 LYS 2 -13.450 -9.112 -2.495
19 HB3 LYS 2 HB3 LYS 2 -15.026 -9.807 -2.842
20 HG2 LYS 2 HG2 LYS 2 -15.803 -7.722 -3.749
21 HG3 LYS 2 HG3 LYS 2 -14.326 -6.900 -3.253
22 HD2 LYS 2 HD2 LYS 2 -14.525 -9.129 -5.284
23 HD3 LYS 2 HD3 LYS 2 -14.307 -7.414 -5.651
24 HE2 LYS 2 HE2 LYS 2 -12.373 -9.208 -4.175
25 HE3 LYS 2 HE3 LYS 2 -12.195 -8.584 -5.803
26 HZ1 LYS 2 HZ1 LYS 2 -10.906 -7.335 -4.201
27 HZ2 LYS 2 HZ2 LYS 2 -12.303 -6.861 -3.375
28 HZ3 LYS 2 HZ3 LYS 2 -12.051 -6.363 -4.952
29 H LYS 3 H LYS 3 -15.921 -6.547 0.032
30 HA LYS 3 HA LYS 3 -13.445 -5.017 -0.151
31 HB2 LYS 3 HB2 LYS 3 -16.285 -4.057 0.141
32 HB3 LYS 3 HB3 LYS 3 -14.864 -3.016 0.146
33 HG2 LYS 3 HG2 LYS 3 -14.315 -3.775 -2.121
34 HG3 LYS 3 HG3 LYS 3 -15.769 -4.778 -2.112
35 HD2 LYS 3 HD2 LYS 3 -17.147 -2.790 -1.873
36 HD3 LYS 3 HD3 LYS 3 -15.696 -1.782 -1.823
37 HE2 LYS 3 HE2 LYS 3 -15.111 -2.527 -4.093
38 HE3 LYS 3 HE3 LYS 3 -16.551 -3.527 -4.131
39 HZ1 LYS 3 HZ1 LYS 3 -16.862 -1.412 -5.270
40 HZ2 LYS 3 HZ2 LYS 3 -16.592 -0.590 -3.806
41 HZ3 LYS 3 HZ3 LYS 3 -17.916 -1.613 -3.981
42 H LYS 4 H LYS 4 -12.349 -4.915 1.559
43 HA LYS 4 HA LYS 4 -13.680 -4.649 4.162
44 HB2 LYS 4 HB2 LYS 4 -11.640 -5.632 5.165
45 HB3 LYS 4 HB3 LYS 4 -12.455 -6.755 4.085
46 HG2 LYS 4 HG2 LYS 4 -10.803 -6.228 2.332
47 HG3 LYS 4 HG3 LYS 4 -9.987 -5.139 3.451
48 HD2 LYS 4 HD2 LYS 4 -10.380 -8.104 3.872
49 HD3 LYS 4 HD3 LYS 4 -8.901 -7.347 3.282
50 HE2 LYS 4 HE2 LYS 4 -8.663 -6.127 5.364
51 HE3 LYS 4 HE3 LYS 4 -10.171 -6.808 5.961
52 HZ1 LYS 4 HZ1 LYS 4 -7.767 -8.384 5.252
53 HZ2 LYS 4 HZ2 LYS 4 -9.195 -8.990 5.895
54 HZ3 LYS 4 HZ3 LYS 4 -8.218 -7.979 6.816
55 H GLN 5 H GLN 5 -11.663 -3.315 1.791
56 HA GLN 5 HA GLN 5 -11.084 -0.995 3.440
57 HB2 GLN 5 HB2 GLN 5 -9.197 -2.464 1.583
58 HB3 GLN 5 HB3 GLN 5 -8.948 -0.812 2.062
59 HG2 GLN 5 HG2 GLN 5 -8.702 -1.497 4.384
60 HG3 GLN 5 HG3 GLN 5 -9.033 -3.168 3.938
61 HE21 GLN 5 HE21 GLN 5 -6.680 -1.865 5.119
62 HE22 GLN 5 HE22 GLN 5 -5.338 -2.308 4.121
63 H SER 6 H SER 6 -11.587 0.801 2.384
64 HA SER 6 HA SER 6 -12.720 0.674 -0.243
65 HB2 SER 6 HB2 SER 6 -12.008 3.086 1.440
66 HB3 SER 6 HB3 SER 6 -13.104 3.050 0.057
67 HG SER 6 HG SER 6 -13.456 2.183 2.655
68 H TRP 7 H TRP 7 -11.859 2.507 -1.817
69 HA TRP 7 HA TRP 7 -9.373 1.771 -2.754
70 HB2 TRP 7 HB2 TRP 7 -9.495 3.833 -4.190
71 HB3 TRP 7 HB3 TRP 7 -10.947 2.841 -4.247
72 HD1 TRP 7 HD1 TRP 7 -13.142 3.859 -3.059
73 HE1 TRP 7 HE1 TRP 7 -13.802 6.256 -2.478
74 HE3 TRP 7 HE3 TRP 7 -8.573 6.094 -3.495
75 HZ2 TRP 7 HZ2 TRP 7 -12.586 8.763 -2.247
76 HZ3 TRP 7 HZ3 TRP 7 -8.413 8.500 -3.075
77 HH2 TRP 7 HH2 TRP 7 -10.384 9.814 -2.466
78 H TYR 8 H TYR 8 -10.157 4.425 -0.626
79 HA TYR 8 HA TYR 8 -7.500 5.475 -0.644
80 HB2 TYR 8 HB2 TYR 8 -8.283 6.984 1.204
81 HB3 TYR 8 HB3 TYR 8 -9.267 7.068 -0.252
82 HD1 TYR 8 HD1 TYR 8 -11.556 6.295 -0.225
83 HD2 TYR 8 HD2 TYR 8 -9.158 6.000 3.274
84 HE1 TYR 8 HE1 TYR 8 -13.569 5.863 1.107
85 HE2 TYR 8 HE2 TYR 8 -11.167 5.558 4.623
86 HH TYR 8 HH TYR 8 -13.572 5.963 4.483
87 H ALA 9 H ALA 9 -9.167 3.219 1.231
88 HA ALA 9 HA ALA 9 -7.369 3.196 3.467
89 HB1 ALA 9 HB1 ALA 9 -9.396 1.160 2.565
90 HB2 ALA 9 HB2 ALA 9 -9.665 2.449 3.729
91 HB3 ALA 9 HB3 ALA 9 -8.552 1.125 4.115
92 H ALA 10 H ALA 10 -7.815 1.298 0.510
93 HA ALA 10 HA ALA 10 -5.686 -0.486 0.915
94 HB1 ALA 10 HB1 ALA 10 -6.949 0.528 -1.633
95 HB2 ALA 10 HB2 ALA 10 -7.509 -0.865 -0.709
96 HB3 ALA 10 HB3 ALA 10 -5.915 -0.892 -1.475
97 H ALA 11 H ALA 11 -6.024 2.567 -0.848
98 HA ALA 11 HA ALA 11 -3.420 2.807 -1.776
99 HB1 ALA 11 HB1 ALA 11 -5.168 5.078 -0.825
100 HB2 ALA 11 HB2 ALA 11 -5.263 4.332 -2.413
101 HB3 ALA 11 HB3 ALA 11 -3.799 5.194 -1.926
102 H GLY 12 H GLY 12 -4.693 3.753 1.366
103 HA2 GLY 12 HA2 GLY 12 -2.447 4.992 2.402
104 HA3 GLY 12 HA3 GLY 12 -3.660 4.143 3.352
105 H ASP 13 H ASP 13 -3.428 1.615 2.748
106 HA ASP 13 HA ASP 13 -0.982 0.881 4.070
107 HB2 ASP 13 HB2 ASP 13 -3.139 -0.414 4.340
108 HB3 ASP 13 HB3 ASP 13 -2.944 -0.950 2.687
109 H ALA 14 H ALA 14 -2.230 0.458 0.920
110 HA ALA 14 HA ALA 14 -0.303 -1.178 -0.218
111 HB1 ALA 14 HB1 ALA 14 -1.853 0.927 -1.717
112 HB2 ALA 14 HB2 ALA 14 -2.585 -0.519 -1.137
113 HB3 ALA 14 HB3 ALA 14 -1.269 -0.624 -2.340
114 H ILE 15 H ILE 15 -0.387 2.378 -0.130
115 HA ILE 15 HA ILE 15 2.033 2.563 -1.643
116 HB ILE 15 HB ILE 15 0.577 4.682 -0.048
117 HG12 ILE 15 HG12 ILE 15 0.695 4.254 -3.027
118 HG13 ILE 15 HG13 ILE 15 -0.617 3.693 -1.993
119 HG21 ILE 15 HG21 ILE 15 1.919 6.321 -1.315
120 HG22 ILE 15 HG22 ILE 15 2.818 4.999 -2.062
121 HG23 ILE 15 HG23 ILE 15 2.953 5.289 -0.323
122 HD11 ILE 15 HD11 ILE 15 -1.217 5.767 -3.073
123 HD12 ILE 15 HD12 ILE 15 0.239 6.531 -2.404
124 HD13 ILE 15 HD13 ILE 15 -1.046 5.976 -1.323
125 H VAL 16 H VAL 16 1.206 2.762 1.688
126 HA VAL 16 HA VAL 16 3.799 3.372 2.649
127 HB VAL 16 HB VAL 16 1.601 1.819 4.065
128 HG11 VAL 16 HG11 VAL 16 4.124 3.020 5.231
129 HG12 VAL 16 HG12 VAL 16 3.786 1.303 5.055
130 HG13 VAL 16 HG13 VAL 16 2.809 2.285 6.149
131 HG21 VAL 16 HG21 VAL 16 2.448 4.716 4.236
132 HG22 VAL 16 HG22 VAL 16 1.244 3.941 5.264
133 HG23 VAL 16 HG23 VAL 16 0.948 4.092 3.543
134 H SER 17 H SER 17 2.254 0.347 2.043
135 HA SER 17 HA SER 17 4.439 -1.257 2.827
136 HB2 SER 17 HB2 SER 17 2.027 -1.894 1.118
137 HB3 SER 17 HB3 SER 17 3.143 -3.087 1.776
138 HG SER 17 HG SER 17 1.016 -2.145 3.008
139 H PHE 18 H PHE 18 3.630 0.420 -0.069
140 HA PHE 18 HA PHE 18 5.260 -0.993 -1.913
141 HB2 PHE 18 HB2 PHE 18 3.381 0.834 -2.197
142 HB3 PHE 18 HB3 PHE 18 4.711 1.962 -2.074
143 HD1 PHE 18 HD1 PHE 18 2.660 0.521 -4.285
144 HD2 PHE 18 HD2 PHE 18 6.823 1.033 -3.658
145 HE1 PHE 18 HE1 PHE 18 3.046 0.229 -6.695
146 HE2 PHE 18 HE2 PHE 18 7.228 0.751 -6.075
147 HZ PHE 18 HZ PHE 18 5.336 0.343 -7.594
148 H GLY 19 H GLY 19 5.680 1.877 0.130
149 HA2 GLY 19 HA2 GLY 19 8.366 2.433 -0.543
150 HA3 GLY 19 HA3 GLY 19 7.512 2.993 0.891
151 H GLU 20 H GLU 20 6.886 0.647 2.107
152 HA GLU 20 HA GLU 20 9.229 -0.099 3.453
153 HB2 GLU 20 HB2 GLU 20 6.602 -1.543 3.170
154 HB3 GLU 20 HB3 GLU 20 7.836 -2.010 4.318
155 HG2 GLU 20 HG2 GLU 20 6.460 0.668 4.278
156 HG3 GLU 20 HG3 GLU 20 6.005 -0.682 5.316
157 H GLY 21 H GLY 21 7.536 -1.484 0.834
158 HA2 GLY 21 HA2 GLY 21 9.045 -3.857 0.478
159 HA3 GLY 21 HA3 GLY 21 8.028 -3.099 -0.741
160 H PHE 22 H PHE 22 9.781 -0.610 -0.255
161 HA PHE 22 HA PHE 22 11.698 -1.194 -2.309
162 HB2 PHE 22 HB2 PHE 22 10.700 0.985 -2.371
163 HB3 PHE 22 HB3 PHE 22 11.067 1.261 -0.682
164 HD1 PHE 22 HD1 PHE 22 12.835 0.596 -3.907
165 HD2 PHE 22 HD2 PHE 22 12.842 2.555 -0.138
166 HE1 PHE 22 HE1 PHE 22 14.918 1.762 -4.519
167 HE2 PHE 22 HE2 PHE 22 14.928 3.715 -0.728
168 HZ PHE 22 HZ PHE 22 15.975 3.318 -2.919
169 H LEU 23 H LEU 23 11.668 -0.800 1.127
170 HA LEU 23 HA LEU 23 14.466 -0.376 1.473
171 HB2 LEU 23 HB2 LEU 23 12.417 -1.236 3.502
172 HB3 LEU 23 HB3 LEU 23 14.016 -0.603 3.834
173 HG LEU 23 HG LEU 23 11.732 0.908 2.576
174 HD11 LEU 23 HD11 LEU 23 13.068 1.187 5.247
175 HD12 LEU 23 HD12 LEU 23 11.449 0.557 4.943
176 HD13 LEU 23 HD13 LEU 23 11.822 2.245 4.589
177 HD21 LEU 23 HD21 LEU 23 14.527 1.823 3.233
178 HD22 LEU 23 HD22 LEU 23 13.201 2.852 2.674
179 HD23 LEU 23 HD23 LEU 23 13.849 1.589 1.619
180 H ASN 24 H ASN 24 12.786 -3.090 0.731
181 HA ASN 24 HA ASN 24 14.111 -5.051 2.306
182 HB2 ASN 24 HB2 ASN 24 13.074 -6.678 0.981
183 HB3 ASN 24 HB3 ASN 24 11.942 -5.331 1.015
184 HD21 ASN 24 HD21 ASN 24 13.455 -3.746 -1.136
185 HD22 ASN 24 HD22 ASN 24 13.160 -4.664 -2.560
186 H ALA 25 H ALA 25 15.303 -3.134 -0.123
187 HA ALA 25 HA ALA 25 17.047 -5.159 -1.259
188 HB1 ALA 25 HB1 ALA 25 17.680 -3.468 -2.876
189 HB2 ALA 25 HB2 ALA 25 16.721 -2.259 -2.016
190 HB3 ALA 25 HB3 ALA 25 15.926 -3.637 -2.785
191 H TRP 26 H TRP 26 17.122 -2.640 1.116
192 HA TRP 26 HA TRP 26 19.781 -3.247 1.704
193 HB2 TRP 26 HB2 TRP 26 20.731 -0.991 1.384
194 HB3 TRP 26 HB3 TRP 26 20.271 -1.783 -0.115
195 HD1 TRP 26 HD1 TRP 26 17.340 -0.869 -0.544
196 HE1 TRP 26 HE1 TRP 26 16.751 1.611 -0.907
197 HE3 TRP 26 HE3 TRP 26 21.481 1.238 1.523
198 HZ2 TRP 26 HZ2 TRP 26 17.906 4.124 -0.393
199 HZ3 TRP 26 HZ3 TRP 26 21.680 3.696 1.545
200 HH2 TRP 26 HH2 TRP 26 19.929 5.106 0.601