Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
26280 | 2khf RC | 16239 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854
2 HA2 GLY 1 HA2 GLY 1 2.968 0.589 -1.120
3 HA3 GLY 1 HA3 GLY 1 2.350 -1.015 -1.488
4 H ALA 2 H ALA 2 2.577 2.069 -2.616
5 HA ALA 2 HA ALA 2 1.000 1.612 -4.884
6 HB1 ALA 2 HB1 ALA 2 -0.774 3.353 -4.438
7 HB2 ALA 2 HB2 ALA 2 -0.951 1.829 -3.567
8 HB3 ALA 2 HB3 ALA 2 -0.321 3.252 -2.737
9 H TRP 3 H TRP 3 2.420 3.955 -2.687
10 HA TRP 3 HA TRP 3 2.560 6.200 -4.281
11 HB2 TRP 3 HB2 TRP 3 4.668 6.736 -3.009
12 HB3 TRP 3 HB3 TRP 3 3.282 6.324 -2.003
13 HD1 TRP 3 HD1 TRP 3 3.396 4.042 -0.625
14 HE1 TRP 3 HE1 TRP 3 5.362 2.509 0.016
15 HE3 TRP 3 HE3 TRP 3 6.918 5.841 -3.865
16 HZ2 TRP 3 HZ2 TRP 3 8.050 2.115 -0.750
17 HZ3 TRP 3 HZ3 TRP 3 9.162 4.831 -3.847
18 HH2 TRP 3 HH2 TRP 3 9.714 3.008 -2.321
19 H LYS 4 H LYS 4 4.487 3.277 -4.420
20 HA LYS 4 HA LYS 4 6.591 4.135 -6.024
21 HB2 LYS 4 HB2 LYS 4 5.267 1.432 -6.239
22 HB3 LYS 4 HB3 LYS 4 6.945 1.834 -6.580
23 HG2 LYS 4 HG2 LYS 4 7.355 1.074 -4.527
24 HG3 LYS 4 HG3 LYS 4 6.688 2.611 -3.973
25 HD2 LYS 4 HD2 LYS 4 5.088 1.493 -2.910
26 HD3 LYS 4 HD3 LYS 4 4.496 0.910 -4.468
27 HE2 LYS 4 HE2 LYS 4 6.820 -0.456 -3.194
28 HE3 LYS 4 HE3 LYS 4 5.201 -0.768 -2.572
29 HZ1 LYS 4 HZ1 LYS 4 5.663 -0.945 -5.464
30 HZ2 LYS 4 HZ2 LYS 4 4.555 -1.783 -4.499
31 HZ3 LYS 4 HZ3 LYS 4 6.190 -2.217 -4.479
32 H ASN 5 H ASN 5 3.511 2.660 -7.049
33 HA ASN 5 HA ASN 5 3.991 3.001 -9.818
34 HB2 ASN 5 HB2 ASN 5 1.290 2.773 -8.481
35 HB3 ASN 5 HB3 ASN 5 1.705 2.338 -10.136
36 HD21 ASN 5 HD21 ASN 5 1.907 1.432 -6.794
37 HD22 ASN 5 HD22 ASN 5 2.418 -0.198 -7.055
38 H PHE 6 H PHE 6 2.698 5.070 -7.345
39 HA PHE 6 HA PHE 6 1.389 6.922 -9.059
40 HB2 PHE 6 HB2 PHE 6 0.723 6.933 -6.782
41 HB3 PHE 6 HB3 PHE 6 2.384 7.088 -6.218
42 HD1 PHE 6 HD2 PHE 6 3.517 9.226 -6.255
43 HD2 PHE 6 HD1 PHE 6 -0.505 8.843 -7.595
44 HE1 PHE 6 HE2 PHE 6 3.256 11.671 -6.160
45 HE2 PHE 6 HE1 PHE 6 -0.772 11.287 -7.503
46 HZ PHE 6 HZ PHE 6 1.109 12.704 -6.784
47 H TRP 7 H TRP 7 4.666 6.566 -7.896
48 HA TRP 7 HA TRP 7 5.607 9.145 -8.545
49 HB2 TRP 7 HB2 TRP 7 6.754 6.590 -7.732
50 HB3 TRP 7 HB3 TRP 7 7.786 7.457 -8.866
51 HD1 TRP 7 HD1 TRP 7 7.413 7.097 -5.324
52 HE1 TRP 7 HE1 TRP 7 8.300 9.139 -4.034
53 HE3 TRP 7 HE3 TRP 7 7.666 10.445 -9.180
54 HZ2 TRP 7 HZ2 TRP 7 9.013 11.816 -4.579
55 HZ3 TRP 7 HZ3 TRP 7 8.461 12.725 -8.711
56 HH2 TRP 7 HH2 TRP 7 9.119 13.395 -6.457
57 H SER 8 H SER 8 5.868 6.074 -10.339
58 HA SER 8 HA SER 8 7.029 7.242 -12.642
59 HB2 SER 8 HB2 SER 8 6.725 5.110 -13.689
60 HB3 SER 8 HB3 SER 8 7.112 4.796 -11.997
61 HG SER 8 HG SER 8 4.759 4.363 -13.396
62 H SER 9 H SER 9 3.732 6.721 -11.609
63 HA SER 9 HA SER 9 2.390 7.000 -14.033
64 HB2 SER 9 HB2 SER 9 1.379 6.360 -11.809
65 HB3 SER 9 HB3 SER 9 1.412 8.070 -11.379
66 HG SER 9 HG SER 9 -0.136 8.483 -12.810
67 H LEU 10 H LEU 10 4.067 9.335 -12.134
68 HA LEU 10 HA LEU 10 2.763 11.643 -13.232
69 HB2 LEU 10 HB2 LEU 10 5.431 11.459 -11.843
70 HB3 LEU 10 HB3 LEU 10 4.478 12.919 -12.105
71 HG LEU 10 HG LEU 10 3.145 10.778 -10.575
72 HD11 LEU 10 HD11 LEU 10 5.009 12.413 -8.976
73 HD12 LEU 10 HD12 LEU 10 5.721 11.092 -9.902
74 HD13 LEU 10 HD13 LEU 10 4.445 10.760 -8.730
75 HD21 LEU 10 HD21 LEU 10 3.274 13.744 -10.668
76 HD22 LEU 10 HD22 LEU 10 2.821 12.981 -9.144
77 HD23 LEU 10 HD23 LEU 10 1.875 12.671 -10.601
78 H ARG 11 H ARG 11 5.990 10.190 -13.667
79 HA ARG 11 HA ARG 11 6.863 11.909 -15.692
80 HB2 ARG 11 HB2 ARG 11 8.558 10.251 -16.168
81 HB3 ARG 11 HB3 ARG 11 8.328 10.362 -14.428
82 HG2 ARG 11 HG2 ARG 11 7.289 8.295 -14.302
83 HG3 ARG 11 HG3 ARG 11 6.879 8.288 -16.019
84 HD2 ARG 11 HD2 ARG 11 8.814 7.324 -16.568
85 HD3 ARG 11 HD3 ARG 11 9.740 8.456 -15.583
86 HE ARG 11 HE ARG 11 8.923 5.800 -14.863
87 HH11 ARG 11 HH11 ARG 11 9.802 8.943 -13.649
88 HH12 ARG 11 HH12 ARG 11 10.316 8.347 -12.106
89 HH21 ARG 11 HH21 ARG 11 9.596 5.004 -12.834
90 HH22 ARG 11 HH22 ARG 11 10.199 6.106 -11.643
91 H LYS 12 H LYS 12 4.644 9.269 -15.766
92 HA LYS 12 HA LYS 12 4.784 8.384 -18.376
93 HB2 LYS 12 HB2 LYS 12 2.466 8.724 -16.491
94 HB3 LYS 12 HB3 LYS 12 2.227 8.090 -18.114
95 HG2 LYS 12 HG2 LYS 12 4.166 6.459 -17.395
96 HG3 LYS 12 HG3 LYS 12 3.590 6.865 -15.777
97 HD2 LYS 12 HD2 LYS 12 1.239 6.360 -16.905
98 HD3 LYS 12 HD3 LYS 12 2.244 5.363 -17.960
99 HE2 LYS 12 HE2 LYS 12 2.855 3.944 -16.260
100 HE3 LYS 12 HE3 LYS 12 2.617 5.164 -15.010
101 HZ1 LYS 12 HZ1 LYS 12 0.489 3.708 -16.482
102 HZ2 LYS 12 HZ2 LYS 12 0.208 4.958 -15.378
103 HZ3 LYS 12 HZ3 LYS 12 0.907 3.509 -14.854
104 H GLY 13 H GLY 13 3.503 11.389 -17.133
105 HA2 GLY 13 HA2 GLY 13 2.307 12.097 -19.691
106 HA3 GLY 13 HA3 GLY 13 2.282 13.064 -18.224
107 H PHE 14 H PHE 14 5.186 12.817 -17.838
108 HA PHE 14 HA PHE 14 5.964 15.092 -19.370
109 HB2 PHE 14 HB2 PHE 14 7.376 13.301 -17.410
110 HB3 PHE 14 HB3 PHE 14 8.260 14.533 -18.305
111 HD1 PHE 14 HD2 PHE 14 7.164 16.934 -18.224
112 HD2 PHE 14 HD1 PHE 14 6.504 13.853 -15.362
113 HE1 PHE 14 HE2 PHE 14 6.488 18.623 -16.567
114 HE2 PHE 14 HE1 PHE 14 5.826 15.537 -13.701
115 HZ PHE 14 HZ PHE 14 5.819 17.925 -14.301
116 H TYR 15 H TYR 15 6.357 11.659 -19.713
117 HA TYR 15 HA TYR 15 8.533 11.707 -21.537
118 HB2 TYR 15 HB2 TYR 15 6.604 9.699 -20.544
119 HB3 TYR 15 HB3 TYR 15 7.281 9.380 -22.137
120 HD1 TYR 15 HD1 TYR 15 8.902 10.969 -19.186
121 HD2 TYR 15 HD2 TYR 15 8.755 7.605 -21.787
122 HE1 TYR 15 HE1 TYR 15 10.938 10.075 -18.135
123 HE2 TYR 15 HE2 TYR 15 10.790 6.701 -20.743
124 HH TYR 15 HH TYR 15 12.872 8.397 -19.004
125 H ASP 16 H ASP 16 5.113 12.168 -21.855
126 HA ASP 16 HA ASP 16 4.800 11.584 -24.585
127 HB2 ASP 16 HB2 ASP 16 3.309 13.327 -22.647
128 HB3 ASP 16 HB3 ASP 16 2.874 13.321 -24.354
129 H GLY 17 H GLY 17 6.205 14.295 -22.947
130 HA2 GLY 17 HA2 GLY 17 7.750 15.387 -24.771
131 HA3 GLY 17 HA3 GLY 17 6.191 15.916 -25.385
132 H GLU 18 H GLU 18 5.280 16.035 -22.463
133 HA GLU 18 HA GLU 18 5.553 18.783 -22.099
134 HB2 GLU 18 HB2 GLU 18 4.880 16.576 -20.157
135 HB3 GLU 18 HB3 GLU 18 4.846 18.276 -19.709
136 HG2 GLU 18 HG2 GLU 18 3.345 17.564 -22.138
137 HG3 GLU 18 HG3 GLU 18 2.717 16.917 -20.623
138 H ALA 19 H ALA 19 7.683 16.194 -21.277
139 HA ALA 19 HA ALA 19 9.150 17.281 -19.182
140 HB1 ALA 19 HB1 ALA 19 9.933 15.432 -21.417
141 HB2 ALA 19 HB2 ALA 19 11.055 15.892 -20.136
142 HB3 ALA 19 HB3 ALA 19 9.566 15.035 -19.738
143 H GLY 20 H GLY 20 9.081 18.150 -22.536
144 HA2 GLY 20 HA2 GLY 20 11.219 20.120 -22.014
145 HA3 GLY 20 HA3 GLY 20 11.121 19.246 -23.536
146 H ARG 21 H ARG 21 8.335 19.355 -23.921
147 HA ARG 21 HA ARG 21 8.035 21.748 -25.281
148 HB2 ARG 21 HB2 ARG 21 6.607 19.474 -25.173
149 HB3 ARG 21 HB3 ARG 21 5.568 20.506 -24.199
150 HG2 ARG 21 HG2 ARG 21 5.619 22.159 -26.098
151 HG3 ARG 21 HG3 ARG 21 6.404 20.903 -27.057
152 HD2 ARG 21 HD2 ARG 21 4.308 20.324 -27.613
153 HD3 ARG 21 HD3 ARG 21 4.287 19.545 -26.032
154 HE ARG 21 HE ARG 21 3.489 22.095 -25.522
155 HH11 ARG 21 HH11 ARG 21 2.416 19.591 -27.689
156 HH12 ARG 21 HH12 ARG 21 0.762 20.108 -27.676
157 HH21 ARG 21 HH21 ARG 21 1.315 22.785 -25.496
158 HH22 ARG 21 HH22 ARG 21 0.138 21.925 -26.429
159 H ALA 22 H ALA 22 6.918 20.887 -22.027
160 HA ALA 22 HA ALA 22 5.624 23.360 -21.516
161 HB1 ALA 22 HB1 ALA 22 5.193 22.548 -19.406
162 HB2 ALA 22 HB2 ALA 22 5.415 21.053 -20.314
163 HB3 ALA 22 HB3 ALA 22 6.723 21.677 -19.311
164 H ILE 23 H ILE 23 8.912 22.374 -21.472
165 HA ILE 23 HA ILE 23 9.859 24.338 -19.618
166 HB ILE 23 HB ILE 23 11.440 22.879 -21.736
167 HG12 ILE 23 HG12 ILE 23 10.217 21.318 -20.262
168 HG13 ILE 23 HG13 ILE 23 11.957 21.232 -20.012
169 HG21 ILE 23 HG21 ILE 23 13.316 23.271 -20.129
170 HG22 ILE 23 HG22 ILE 23 12.674 24.731 -20.880
171 HG23 ILE 23 HG23 ILE 23 12.236 24.329 -19.220
172 HD11 ILE 23 HD11 ILE 23 10.003 22.710 -18.265
173 HD12 ILE 23 HD12 ILE 23 10.742 21.148 -17.909
174 HD13 ILE 23 HD13 ILE 23 11.744 22.596 -18.010
175 H ARG 24 H ARG 24 9.029 24.339 -22.956
176 HA ARG 24 HA ARG 24 9.148 25.906 -24.602
177 HB2 ARG 24 HB2 ARG 24 8.931 27.456 -22.079
178 HB3 ARG 24 HB3 ARG 24 9.393 28.351 -23.521
179 HG2 ARG 24 HG2 ARG 24 7.069 28.539 -23.416
180 HG3 ARG 24 HG3 ARG 24 7.361 27.293 -24.631
181 HD2 ARG 24 HD2 ARG 24 7.175 25.705 -22.526
182 HD3 ARG 24 HD3 ARG 24 6.240 27.055 -21.886
183 HE ARG 24 HE ARG 24 5.443 26.203 -24.521
184 HH11 ARG 24 HH11 ARG 24 5.016 25.761 -21.094
185 HH12 ARG 24 HH12 ARG 24 3.428 25.083 -21.248
186 HH21 ARG 24 HH21 ARG 24 3.354 25.313 -24.736
187 HH22 ARG 24 HH22 ARG 24 2.485 24.828 -23.320
188 H ARG 25 H ARG 25 11.658 24.731 -23.511
189 HA ARG 25 HA ARG 25 13.709 26.663 -23.485
190 HB2 ARG 25 HB2 ARG 25 15.214 24.711 -23.951
191 HB3 ARG 25 HB3 ARG 25 14.148 24.498 -22.569
192 HG2 ARG 25 HG2 ARG 25 13.196 22.704 -23.466
193 HG3 ARG 25 HG3 ARG 25 12.950 23.516 -25.013
194 HD2 ARG 25 HD2 ARG 25 15.627 22.449 -24.158
195 HD3 ARG 25 HD3 ARG 25 14.445 21.456 -25.010
196 HE ARG 25 HE ARG 25 14.913 23.896 -26.383
197 HH11 ARG 25 HH11 ARG 25 16.299 20.766 -25.750
198 HH12 ARG 25 HH12 ARG 25 17.209 20.727 -27.224
199 HH21 ARG 25 HH21 ARG 25 16.106 23.856 -28.327
200 HH22 ARG 25 HH22 ARG 25 17.099 22.485 -28.688
Start of MODEL 2
1 H1 GLY 1 H GLY 1 1.362 0.688 0.456
2 HA2 GLY 1 HA2 GLY 1 3.113 1.017 -1.245
3 HA3 GLY 1 HA3 GLY 1 2.486 -0.417 -2.044
4 H ALA 2 H ALA 2 2.794 2.543 -2.774
5 HA ALA 2 HA ALA 2 0.592 2.707 -4.504
6 HB1 ALA 2 HB1 ALA 2 -0.958 3.998 -3.491
7 HB2 ALA 2 HB2 ALA 2 -0.275 3.285 -2.029
8 HB3 ALA 2 HB3 ALA 2 0.239 4.889 -2.550
9 H TRP 3 H TRP 3 3.063 4.423 -2.686
10 HA TRP 3 HA TRP 3 3.265 6.740 -4.211
11 HB2 TRP 3 HB2 TRP 3 5.652 6.794 -3.419
12 HB3 TRP 3 HB3 TRP 3 4.459 6.580 -2.140
13 HD1 TRP 3 HD1 TRP 3 4.451 4.262 -0.839
14 HE1 TRP 3 HE1 TRP 3 6.162 2.345 -0.697
15 HE3 TRP 3 HE3 TRP 3 7.408 5.516 -4.817
16 HZ2 TRP 3 HZ2 TRP 3 8.461 1.479 -2.086
17 HZ3 TRP 3 HZ3 TRP 3 9.344 4.091 -5.342
18 HH2 TRP 3 HH2 TRP 3 9.858 2.115 -4.003
19 H LYS 4 H LYS 4 4.218 3.499 -4.941
20 HA LYS 4 HA LYS 4 6.138 4.064 -6.947
21 HB2 LYS 4 HB2 LYS 4 4.378 1.619 -6.864
22 HB3 LYS 4 HB3 LYS 4 6.004 1.762 -7.520
23 HG2 LYS 4 HG2 LYS 4 6.653 0.860 -5.588
24 HG3 LYS 4 HG3 LYS 4 6.387 2.469 -4.914
25 HD2 LYS 4 HD2 LYS 4 4.838 1.619 -3.565
26 HD3 LYS 4 HD3 LYS 4 3.878 1.173 -4.977
27 HE2 LYS 4 HE2 LYS 4 6.120 -0.545 -3.949
28 HE3 LYS 4 HE3 LYS 4 4.473 -0.685 -3.337
29 HZ1 LYS 4 HZ1 LYS 4 4.021 -1.987 -5.050
30 HZ2 LYS 4 HZ2 LYS 4 5.569 -1.765 -5.694
31 HZ3 LYS 4 HZ3 LYS 4 4.320 -0.703 -6.111
32 H ASN 5 H ASN 5 2.665 3.314 -7.104
33 HA ASN 5 HA ASN 5 2.489 3.556 -9.927
34 HB2 ASN 5 HB2 ASN 5 0.259 3.866 -7.906
35 HB3 ASN 5 HB3 ASN 5 0.091 3.461 -9.612
36 HD21 ASN 5 HD21 ASN 5 0.850 2.308 -6.457
37 HD22 ASN 5 HD22 ASN 5 0.949 0.630 -6.859
38 H PHE 6 H PHE 6 2.531 5.834 -7.349
39 HA PHE 6 HA PHE 6 1.275 7.954 -8.862
40 HB2 PHE 6 HB2 PHE 6 0.907 8.016 -6.505
41 HB3 PHE 6 HB3 PHE 6 2.629 7.866 -6.166
42 HD1 PHE 6 HD1 PHE 6 0.242 10.130 -7.920
43 HD2 PHE 6 HD2 PHE 6 3.811 9.762 -5.630
44 HE1 PHE 6 HE1 PHE 6 0.430 12.582 -7.825
45 HE2 PHE 6 HE2 PHE 6 4.004 12.213 -5.531
46 HZ PHE 6 HZ PHE 6 2.312 13.626 -6.628
47 H TRP 7 H TRP 7 4.533 7.326 -7.567
48 HA TRP 7 HA TRP 7 5.839 9.529 -8.606
49 HB2 TRP 7 HB2 TRP 7 6.612 6.886 -7.619
50 HB3 TRP 7 HB3 TRP 7 7.726 7.524 -8.825
51 HD1 TRP 7 HD1 TRP 7 7.355 7.465 -5.253
52 HE1 TRP 7 HE1 TRP 7 8.575 9.426 -4.118
53 HE3 TRP 7 HE3 TRP 7 8.086 10.441 -9.344
54 HZ2 TRP 7 HZ2 TRP 7 9.698 11.908 -4.859
55 HZ3 TRP 7 HZ3 TRP 7 9.241 12.593 -9.046
56 HH2 TRP 7 HH2 TRP 7 10.029 13.310 -6.849
57 H SER 8 H SER 8 5.335 6.361 -10.136
58 HA SER 8 HA SER 8 6.677 7.002 -12.544
59 HB2 SER 8 HB2 SER 8 5.826 4.951 -13.394
60 HB3 SER 8 HB3 SER 8 6.089 4.679 -11.671
61 HG SER 8 HG SER 8 4.083 3.941 -11.958
62 H SER 9 H SER 9 3.355 7.360 -11.467
63 HA SER 9 HA SER 9 2.104 7.865 -13.901
64 HB2 SER 9 HB2 SER 9 0.893 7.559 -11.770
65 HB3 SER 9 HB3 SER 9 1.483 9.126 -11.218
66 HG SER 9 HG SER 9 0.210 10.133 -12.662
67 H LEU 10 H LEU 10 4.334 9.784 -12.119
68 HA LEU 10 HA LEU 10 3.616 12.271 -13.411
69 HB2 LEU 10 HB2 LEU 10 6.053 11.637 -11.757
70 HB3 LEU 10 HB3 LEU 10 5.442 13.237 -12.175
71 HG LEU 10 HG LEU 10 3.579 11.510 -10.676
72 HD11 LEU 10 HD11 LEU 10 4.670 11.437 -8.677
73 HD12 LEU 10 HD12 LEU 10 5.687 12.828 -9.051
74 HD13 LEU 10 HD13 LEU 10 6.045 11.256 -9.766
75 HD21 LEU 10 HD21 LEU 10 3.455 14.030 -11.403
76 HD22 LEU 10 HD22 LEU 10 4.396 14.277 -9.932
77 HD23 LEU 10 HD23 LEU 10 2.812 13.504 -9.847
78 H ARG 11 H ARG 11 6.404 10.057 -13.461
79 HA ARG 11 HA ARG 11 7.794 11.413 -15.512
80 HB2 ARG 11 HB2 ARG 11 9.280 9.587 -15.527
81 HB3 ARG 11 HB3 ARG 11 8.707 9.687 -13.868
82 HG2 ARG 11 HG2 ARG 11 7.153 7.866 -14.271
83 HG3 ARG 11 HG3 ARG 11 7.666 7.786 -15.958
84 HD2 ARG 11 HD2 ARG 11 9.734 6.902 -15.424
85 HD3 ARG 11 HD3 ARG 11 9.692 7.534 -13.779
86 HE ARG 11 HE ARG 11 8.581 5.642 -13.111
87 HH11 ARG 11 HH11 ARG 11 8.547 5.837 -16.587
88 HH12 ARG 11 HH12 ARG 11 7.899 4.244 -16.800
89 HH21 ARG 11 HH21 ARG 11 7.728 3.543 -13.378
90 HH22 ARG 11 HH22 ARG 11 7.433 2.941 -14.974
91 H LYS 12 H LYS 12 5.321 8.936 -15.531
92 HA LYS 12 HA LYS 12 5.603 8.244 -18.285
93 HB2 LYS 12 HB2 LYS 12 3.400 7.810 -16.272
94 HB3 LYS 12 HB3 LYS 12 3.285 7.250 -17.935
95 HG2 LYS 12 HG2 LYS 12 5.633 6.169 -17.325
96 HG3 LYS 12 HG3 LYS 12 4.948 6.246 -15.700
97 HD2 LYS 12 HD2 LYS 12 2.872 5.150 -16.737
98 HD3 LYS 12 HD3 LYS 12 3.918 4.777 -18.109
99 HE2 LYS 12 HE2 LYS 12 5.296 3.390 -16.826
100 HE3 LYS 12 HE3 LYS 12 4.713 4.065 -15.306
101 HZ1 LYS 12 HZ1 LYS 12 3.810 1.787 -16.577
102 HZ2 LYS 12 HZ2 LYS 12 2.572 2.924 -16.764
103 HZ3 LYS 12 HZ3 LYS 12 3.134 2.533 -15.217
104 H GLY 13 H GLY 13 3.956 10.755 -16.552
105 HA2 GLY 13 HA2 GLY 13 2.226 11.433 -18.782
106 HA3 GLY 13 HA3 GLY 13 2.333 12.281 -17.247
107 H PHE 14 H PHE 14 5.255 12.523 -17.409
108 HA PHE 14 HA PHE 14 5.324 14.948 -18.962
109 HB2 PHE 14 HB2 PHE 14 7.306 13.554 -17.174
110 HB3 PHE 14 HB3 PHE 14 7.757 14.965 -18.125
111 HD1 PHE 14 HD1 PHE 14 5.787 16.883 -17.921
112 HD2 PHE 14 HD2 PHE 14 6.887 14.012 -14.978
113 HE1 PHE 14 HE1 PHE 14 4.900 18.354 -16.159
114 HE2 PHE 14 HE2 PHE 14 6.001 15.478 -13.212
115 HZ PHE 14 HZ PHE 14 5.005 17.652 -13.801
116 H TYR 15 H TYR 15 6.439 11.671 -19.298
117 HA TYR 15 HA TYR 15 8.388 12.076 -21.293
118 HB2 TYR 15 HB2 TYR 15 7.148 9.852 -19.984
119 HB3 TYR 15 HB3 TYR 15 7.147 9.560 -21.720
120 HD1 TYR 15 HD2 TYR 15 9.476 10.149 -22.896
121 HD2 TYR 15 HD1 TYR 15 8.990 9.152 -18.789
122 HE1 TYR 15 HE2 TYR 15 11.837 9.469 -22.788
123 HE2 TYR 15 HE1 TYR 15 11.350 8.470 -18.669
124 HH TYR 15 HH TYR 15 13.512 8.840 -21.451
125 H ASP 16 H ASP 16 4.939 12.070 -21.378
126 HA ASP 16 HA ASP 16 4.418 11.369 -24.016
127 HB2 ASP 16 HB2 ASP 16 3.026 13.381 -22.240
128 HB3 ASP 16 HB3 ASP 16 2.389 12.828 -23.786
129 H GLY 17 H GLY 17 5.862 14.237 -22.714
130 HA2 GLY 17 HA2 GLY 17 7.175 15.228 -24.777
131 HA3 GLY 17 HA3 GLY 17 5.542 15.692 -25.230
132 H GLU 18 H GLU 18 5.096 15.910 -22.158
133 HA GLU 18 HA GLU 18 5.363 18.716 -22.025
134 HB2 GLU 18 HB2 GLU 18 4.930 16.723 -19.792
135 HB3 GLU 18 HB3 GLU 18 4.703 18.461 -19.660
136 HG2 GLU 18 HG2 GLU 18 3.218 17.089 -21.812
137 HG3 GLU 18 HG3 GLU 18 2.712 16.762 -20.156
138 H ALA 19 H ALA 19 7.505 16.127 -21.235
139 HA ALA 19 HA ALA 19 9.153 17.284 -19.321
140 HB1 ALA 19 HB1 ALA 19 10.263 15.377 -19.557
141 HB2 ALA 19 HB2 ALA 19 9.185 14.971 -20.892
142 HB3 ALA 19 HB3 ALA 19 10.716 15.785 -21.212
143 H GLY 20 H GLY 20 8.835 17.986 -22.701
144 HA2 GLY 20 HA2 GLY 20 11.031 19.945 -22.444
145 HA3 GLY 20 HA3 GLY 20 10.815 18.991 -23.904
146 H ARG 21 H ARG 21 8.140 19.106 -24.345
147 HA ARG 21 HA ARG 21 7.780 21.515 -25.651
148 HB2 ARG 21 HB2 ARG 21 6.405 19.179 -25.549
149 HB3 ARG 21 HB3 ARG 21 5.310 20.232 -24.665
150 HG2 ARG 21 HG2 ARG 21 5.701 21.826 -26.714
151 HG3 ARG 21 HG3 ARG 21 6.134 20.316 -27.519
152 HD2 ARG 21 HD2 ARG 21 3.792 20.761 -27.867
153 HD3 ARG 21 HD3 ARG 21 3.969 19.361 -26.810
154 HE ARG 21 HE ARG 21 3.713 21.431 -25.080
155 HH11 ARG 21 HH11 ARG 21 1.841 20.317 -27.796
156 HH12 ARG 21 HH12 ARG 21 0.335 20.889 -27.158
157 HH21 ARG 21 HH21 ARG 21 1.736 22.187 -24.230
158 HH22 ARG 21 HH22 ARG 21 0.276 21.953 -25.130
159 H ALA 22 H ALA 22 6.570 20.544 -22.456
160 HA ALA 22 HA ALA 22 5.210 22.965 -21.914
161 HB1 ALA 22 HB1 ALA 22 6.272 21.448 -19.620
162 HB2 ALA 22 HB2 ALA 22 4.632 22.006 -19.955
163 HB3 ALA 22 HB3 ALA 22 5.244 20.548 -20.736
164 H ILE 23 H ILE 23 8.529 22.091 -21.824
165 HA ILE 23 HA ILE 23 9.371 24.049 -19.914
166 HB ILE 23 HB ILE 23 11.071 22.732 -22.031
167 HG12 ILE 23 HG12 ILE 23 9.900 21.000 -20.782
168 HG13 ILE 23 HG13 ILE 23 11.593 21.037 -20.302
169 HG21 ILE 23 HG21 ILE 23 12.295 24.477 -21.068
170 HG22 ILE 23 HG22 ILE 23 11.648 24.162 -19.458
171 HG23 ILE 23 HG23 ILE 23 12.807 23.043 -20.177
172 HD11 ILE 23 HD11 ILE 23 9.240 21.335 -18.701
173 HD12 ILE 23 HD12 ILE 23 10.923 21.162 -18.201
174 HD13 ILE 23 HD13 ILE 23 10.265 22.761 -18.547
175 H ARG 24 H ARG 24 8.608 24.088 -23.267
176 HA ARG 24 HA ARG 24 8.705 25.690 -24.881
177 HB2 ARG 24 HB2 ARG 24 8.384 27.181 -22.333
178 HB3 ARG 24 HB3 ARG 24 8.844 28.120 -23.747
179 HG2 ARG 24 HG2 ARG 24 6.514 28.228 -23.688
180 HG3 ARG 24 HG3 ARG 24 6.873 27.016 -24.920
181 HD2 ARG 24 HD2 ARG 24 6.699 25.383 -22.848
182 HD3 ARG 24 HD3 ARG 24 5.703 26.688 -22.205
183 HE ARG 24 HE ARG 24 4.995 25.858 -24.872
184 HH11 ARG 24 HH11 ARG 24 4.509 25.336 -21.465
185 HH12 ARG 24 HH12 ARG 24 2.950 24.606 -21.666
186 HH21 ARG 24 HH21 ARG 24 2.944 24.899 -25.150
187 HH22 ARG 24 HH22 ARG 24 2.062 24.357 -23.763
188 H ARG 25 H ARG 25 11.232 24.580 -23.760
189 HA ARG 25 HA ARG 25 13.263 26.433 -23.513
190 HB2 ARG 25 HB2 ARG 25 13.099 23.604 -24.376
191 HB3 ARG 25 HB3 ARG 25 14.565 24.469 -24.820
192 HG2 ARG 25 HG2 ARG 25 14.169 25.118 -22.153
193 HG3 ARG 25 HG3 ARG 25 13.748 23.407 -22.262
194 HD2 ARG 25 HD2 ARG 25 16.309 24.657 -23.250
195 HD3 ARG 25 HD3 ARG 25 16.125 23.738 -21.757
196 HE ARG 25 HE ARG 25 15.240 22.166 -23.905
197 HH11 ARG 25 HH11 ARG 25 18.178 23.509 -22.606
198 HH12 ARG 25 HH12 ARG 25 19.186 22.247 -23.233
199 HH21 ARG 25 HH21 ARG 25 16.557 20.500 -24.736
200 HH22 ARG 25 HH22 ARG 25 18.263 20.536 -24.446
Start of MODEL 3
1 H1 GLY 1 H GLY 1 5.938 0.769 -0.679
2 HA2 GLY 1 HA2 GLY 1 3.932 1.791 -0.193
3 HA3 GLY 1 HA3 GLY 1 4.875 3.268 -0.330
4 H ALA 2 H ALA 2 2.390 3.661 -0.939
5 HA ALA 2 HA ALA 2 1.533 3.016 -3.543
6 HB1 ALA 2 HB1 ALA 2 -0.199 4.606 -3.223
7 HB2 ALA 2 HB2 ALA 2 0.102 3.859 -1.654
8 HB3 ALA 2 HB3 ALA 2 0.729 5.471 -1.998
9 H TRP 3 H TRP 3 3.913 5.181 -2.447
10 HA TRP 3 HA TRP 3 3.817 7.293 -4.219
11 HB2 TRP 3 HB2 TRP 3 6.251 7.479 -3.914
12 HB3 TRP 3 HB3 TRP 3 5.432 7.163 -2.386
13 HD1 TRP 3 HD1 TRP 3 5.944 4.867 -1.169
14 HE1 TRP 3 HE1 TRP 3 7.755 3.071 -1.517
15 HE3 TRP 3 HE3 TRP 3 7.645 6.311 -5.768
16 HZ2 TRP 3 HZ2 TRP 3 9.654 2.361 -3.482
17 HZ3 TRP 3 HZ3 TRP 3 9.461 5.021 -6.813
18 HH2 TRP 3 HH2 TRP 3 10.444 3.087 -5.691
19 H LYS 4 H LYS 4 4.736 3.983 -4.796
20 HA LYS 4 HA LYS 4 6.089 4.359 -7.249
21 HB2 LYS 4 HB2 LYS 4 5.716 1.955 -7.594
22 HB3 LYS 4 HB3 LYS 4 6.296 2.292 -5.969
23 HG2 LYS 4 HG2 LYS 4 3.702 2.324 -5.446
24 HG3 LYS 4 HG3 LYS 4 3.658 1.291 -6.877
25 HD2 LYS 4 HD2 LYS 4 5.342 0.827 -4.415
26 HD3 LYS 4 HD3 LYS 4 3.850 -0.025 -4.820
27 HE2 LYS 4 HE2 LYS 4 6.427 -0.056 -6.387
28 HE3 LYS 4 HE3 LYS 4 5.770 -1.375 -5.419
29 HZ1 LYS 4 HZ1 LYS 4 5.185 -0.660 -8.104
30 HZ2 LYS 4 HZ2 LYS 4 3.770 -0.680 -7.177
31 HZ3 LYS 4 HZ3 LYS 4 4.752 -2.055 -7.251
32 H ASN 5 H ASN 5 2.704 3.642 -6.472
33 HA ASN 5 HA ASN 5 1.850 3.478 -9.179
34 HB2 ASN 5 HB2 ASN 5 0.238 4.027 -6.677
35 HB3 ASN 5 HB3 ASN 5 -0.426 3.577 -8.245
36 HD21 ASN 5 HD21 ASN 5 1.371 2.494 -5.471
37 HD22 ASN 5 HD22 ASN 5 1.220 0.801 -5.784
38 H PHE 6 H PHE 6 2.269 6.086 -6.914
39 HA PHE 6 HA PHE 6 0.719 7.989 -8.408
40 HB2 PHE 6 HB2 PHE 6 0.867 8.414 -6.082
41 HB3 PHE 6 HB3 PHE 6 2.617 8.221 -6.079
42 HD1 PHE 6 HD2 PHE 6 -0.058 10.379 -7.507
43 HD2 PHE 6 HD1 PHE 6 3.965 10.090 -6.150
44 HE1 PHE 6 HE2 PHE 6 0.205 12.810 -7.782
45 HE2 PHE 6 HE1 PHE 6 4.235 12.521 -6.421
46 HZ PHE 6 HZ PHE 6 2.354 13.884 -7.240
47 H TRP 7 H TRP 7 4.205 7.572 -7.793
48 HA TRP 7 HA TRP 7 5.108 9.600 -9.480
49 HB2 TRP 7 HB2 TRP 7 6.281 7.227 -8.186
50 HB3 TRP 7 HB3 TRP 7 7.123 7.764 -9.637
51 HD1 TRP 7 HD1 TRP 7 7.259 8.257 -6.071
52 HE1 TRP 7 HE1 TRP 7 8.415 10.470 -5.448
53 HE3 TRP 7 HE3 TRP 7 7.115 10.559 -10.634
54 HZ2 TRP 7 HZ2 TRP 7 9.166 12.875 -6.722
55 HZ3 TRP 7 HZ3 TRP 7 8.073 12.815 -10.847
56 HH2 TRP 7 HH2 TRP 7 9.076 13.947 -8.930
57 H SER 8 H SER 8 4.907 6.105 -10.177
58 HA SER 8 HA SER 8 5.681 6.165 -12.825
59 HB2 SER 8 HB2 SER 8 5.428 4.040 -11.804
60 HB3 SER 8 HB3 SER 8 3.750 4.363 -11.367
61 HG SER 8 HG SER 8 4.440 3.042 -13.404
62 H SER 9 H SER 9 2.502 6.792 -11.434
63 HA SER 9 HA SER 9 0.991 6.863 -13.773
64 HB2 SER 9 HB2 SER 9 0.016 6.929 -11.504
65 HB3 SER 9 HB3 SER 9 0.631 8.568 -11.296
66 HG SER 9 HG SER 9 -1.372 8.914 -12.011
67 H LEU 10 H LEU 10 2.986 9.350 -12.268
68 HA LEU 10 HA LEU 10 2.241 11.348 -14.215
69 HB2 LEU 10 HB2 LEU 10 4.441 11.394 -12.156
70 HB3 LEU 10 HB3 LEU 10 3.836 12.775 -13.069
71 HG LEU 10 HG LEU 10 1.682 11.526 -11.635
72 HD11 LEU 10 HD11 LEU 10 3.924 11.034 -10.260
73 HD12 LEU 10 HD12 LEU 10 2.380 11.397 -9.491
74 HD13 LEU 10 HD13 LEU 10 3.586 12.668 -9.689
75 HD21 LEU 10 HD21 LEU 10 1.671 13.810 -12.475
76 HD22 LEU 10 HD22 LEU 10 3.014 14.224 -11.408
77 HD23 LEU 10 HD23 LEU 10 1.446 13.790 -10.726
78 H ARG 11 H ARG 11 4.882 9.115 -13.662
79 HA ARG 11 HA ARG 11 6.841 10.135 -15.314
80 HB2 ARG 11 HB2 ARG 11 6.164 7.525 -14.207
81 HB3 ARG 11 HB3 ARG 11 6.965 7.402 -15.768
82 HG2 ARG 11 HG2 ARG 11 8.295 9.319 -14.077
83 HG3 ARG 11 HG3 ARG 11 8.161 7.749 -13.283
84 HD2 ARG 11 HD2 ARG 11 8.965 7.664 -16.111
85 HD3 ARG 11 HD3 ARG 11 10.125 8.428 -15.024
86 HE ARG 11 HE ARG 11 9.134 5.884 -14.104
87 HH11 ARG 11 HH11 ARG 11 11.551 7.523 -15.998
88 HH12 ARG 11 HH12 ARG 11 12.702 6.233 -15.884
89 HH21 ARG 11 HH21 ARG 11 10.640 4.179 -13.947
90 HH22 ARG 11 HH22 ARG 11 12.183 4.331 -14.718
91 H LYS 12 H LYS 12 4.052 8.135 -16.186
92 HA LYS 12 HA LYS 12 4.709 7.869 -18.925
93 HB2 LYS 12 HB2 LYS 12 1.942 7.794 -17.716
94 HB3 LYS 12 HB3 LYS 12 2.466 7.046 -19.219
95 HG2 LYS 12 HG2 LYS 12 3.775 5.438 -18.060
96 HG3 LYS 12 HG3 LYS 12 3.564 6.284 -16.525
97 HD2 LYS 12 HD2 LYS 12 1.041 5.879 -16.916
98 HD3 LYS 12 HD3 LYS 12 1.576 4.666 -18.081
99 HE2 LYS 12 HE2 LYS 12 2.935 3.624 -16.279
100 HE3 LYS 12 HE3 LYS 12 2.238 4.775 -15.141
101 HZ1 LYS 12 HZ1 LYS 12 1.202 2.332 -15.859
102 HZ2 LYS 12 HZ2 LYS 12 0.211 3.461 -16.634
103 HZ3 LYS 12 HZ3 LYS 12 0.426 3.535 -14.958
104 H GLY 13 H GLY 13 3.121 10.363 -17.082
105 HA2 GLY 13 HA2 GLY 13 1.988 11.692 -19.371
106 HA3 GLY 13 HA3 GLY 13 2.061 12.317 -17.730
107 H PHE 14 H PHE 14 4.965 11.916 -17.544
108 HA PHE 14 HA PHE 14 5.744 14.424 -18.726
109 HB2 PHE 14 HB2 PHE 14 7.062 12.445 -16.894
110 HB3 PHE 14 HB3 PHE 14 8.017 13.711 -17.660
111 HD1 PHE 14 HD2 PHE 14 7.092 16.136 -17.392
112 HD2 PHE 14 HD1 PHE 14 6.039 12.867 -14.876
113 HE1 PHE 14 HE2 PHE 14 6.413 17.714 -15.631
114 HE2 PHE 14 HE1 PHE 14 5.357 14.441 -13.112
115 HZ PHE 14 HZ PHE 14 5.545 16.867 -13.488
116 H TYR 15 H TYR 15 6.371 11.016 -19.278
117 HA TYR 15 HA TYR 15 8.522 11.308 -21.079
118 HB2 TYR 15 HB2 TYR 15 6.662 9.150 -20.294
119 HB3 TYR 15 HB3 TYR 15 7.371 8.991 -21.897
120 HD1 TYR 15 HD1 TYR 15 8.874 10.374 -18.781
121 HD2 TYR 15 HD2 TYR 15 8.927 7.269 -21.690
122 HE1 TYR 15 HE1 TYR 15 10.931 9.475 -17.775
123 HE2 TYR 15 HE2 TYR 15 10.983 6.361 -20.691
124 HH TYR 15 HH TYR 15 12.435 6.508 -19.011
125 H ASP 16 H ASP 16 5.097 11.672 -21.437
126 HA ASP 16 HA ASP 16 4.817 11.280 -24.192
127 HB2 ASP 16 HB2 ASP 16 3.318 12.977 -22.208
128 HB3 ASP 16 HB3 ASP 16 2.876 12.953 -23.913
129 H GLY 17 H GLY 17 6.207 13.897 -22.392
130 HA2 GLY 17 HA2 GLY 17 7.773 15.078 -24.146
131 HA3 GLY 17 HA3 GLY 17 6.219 15.651 -24.734
132 H GLU 18 H GLU 18 5.344 15.571 -21.777
133 HA GLU 18 HA GLU 18 5.693 18.319 -21.271
134 HB2 GLU 18 HB2 GLU 18 4.884 16.109 -19.372
135 HB3 GLU 18 HB3 GLU 18 4.706 17.830 -19.059
136 HG2 GLU 18 HG2 GLU 18 3.382 17.711 -21.359
137 HG3 GLU 18 HG3 GLU 18 3.142 16.048 -20.826
138 H ALA 19 H ALA 19 7.625 15.562 -20.517
139 HA ALA 19 HA ALA 19 9.024 16.415 -18.273
140 HB1 ALA 19 HB1 ALA 19 9.625 14.289 -18.715
141 HB2 ALA 19 HB2 ALA 19 9.516 14.507 -20.462
142 HB3 ALA 19 HB3 ALA 19 10.944 15.065 -19.592
143 H GLY 20 H GLY 20 9.195 17.516 -21.554
144 HA2 GLY 20 HA2 GLY 20 11.412 19.310 -20.780
145 HA3 GLY 20 HA3 GLY 20 11.339 18.560 -22.368
146 H ARG 21 H ARG 21 8.624 18.872 -22.928
147 HA ARG 21 HA ARG 21 8.546 21.416 -24.042
148 HB2 ARG 21 HB2 ARG 21 7.130 19.703 -24.923
149 HB3 ARG 21 HB3 ARG 21 6.325 19.487 -23.374
150 HG2 ARG 21 HG2 ARG 21 4.966 21.272 -23.672
151 HG3 ARG 21 HG3 ARG 21 6.173 22.177 -24.588
152 HD2 ARG 21 HD2 ARG 21 4.806 19.743 -25.698
153 HD3 ARG 21 HD3 ARG 21 4.119 21.359 -25.855
154 HE ARG 21 HE ARG 21 6.617 21.683 -26.810
155 HH11 ARG 21 HH11 ARG 21 4.105 19.372 -27.495
156 HH12 ARG 21 HH12 ARG 21 4.589 19.138 -29.142
157 HH21 ARG 21 HH21 ARG 21 7.264 21.383 -28.976
158 HH22 ARG 21 HH22 ARG 21 6.387 20.282 -29.983
159 H ALA 22 H ALA 22 7.708 20.353 -20.854
160 HA ALA 22 HA ALA 22 5.987 22.428 -20.075
161 HB1 ALA 22 HB1 ALA 22 7.895 20.758 -18.445
162 HB2 ALA 22 HB2 ALA 22 6.681 21.839 -17.760
163 HB3 ALA 22 HB3 ALA 22 6.181 20.453 -18.729
164 H ILE 23 H ILE 23 9.355 22.412 -20.697
165 HA ILE 23 HA ILE 23 10.079 24.605 -19.017
166 HB ILE 23 HB ILE 23 11.469 23.512 -21.466
167 HG12 ILE 23 HG12 ILE 23 12.536 23.067 -18.739
168 HG13 ILE 23 HG13 ILE 23 11.061 22.194 -19.140
169 HG21 ILE 23 HG21 ILE 23 13.387 24.660 -19.891
170 HG22 ILE 23 HG22 ILE 23 12.663 25.398 -21.319
171 HG23 ILE 23 HG23 ILE 23 12.036 25.780 -19.716
172 HD11 ILE 23 HD11 ILE 23 12.483 21.637 -21.324
173 HD12 ILE 23 HD12 ILE 23 13.802 21.869 -20.176
174 HD13 ILE 23 HD13 ILE 23 12.555 20.665 -19.854
175 H ARG 24 H ARG 24 8.598 24.309 -22.115
176 HA ARG 24 HA ARG 24 7.939 25.816 -23.691
177 HB2 ARG 24 HB2 ARG 24 7.999 27.817 -21.432
178 HB3 ARG 24 HB3 ARG 24 6.997 27.862 -22.876
179 HG2 ARG 24 HG2 ARG 24 6.801 25.771 -20.718
180 HG3 ARG 24 HG3 ARG 24 5.766 27.195 -20.846
181 HD2 ARG 24 HD2 ARG 24 4.589 26.348 -22.586
182 HD3 ARG 24 HD3 ARG 24 5.988 25.518 -23.265
183 HE ARG 24 HE ARG 24 5.469 24.095 -21.032
184 HH11 ARG 24 HH11 ARG 24 3.488 25.144 -23.696
185 HH12 ARG 24 HH12 ARG 24 2.415 23.787 -23.603
186 HH21 ARG 24 HH21 ARG 24 4.063 22.304 -20.899
187 HH22 ARG 24 HH22 ARG 24 2.743 22.172 -22.011
188 H ARG 25 H ARG 25 10.371 25.462 -24.276
189 HA ARG 25 HA ARG 25 12.254 27.494 -23.854
190 HB2 ARG 25 HB2 ARG 25 11.949 25.212 -25.699
191 HB3 ARG 25 HB3 ARG 25 12.976 26.514 -26.286
192 HG2 ARG 25 HG2 ARG 25 14.290 26.354 -24.188
193 HG3 ARG 25 HG3 ARG 25 13.313 24.957 -23.733
194 HD2 ARG 25 HD2 ARG 25 14.466 23.594 -25.073
195 HD3 ARG 25 HD3 ARG 25 14.384 24.728 -26.421
196 HE ARG 25 HE ARG 25 16.249 25.817 -24.779
197 HH11 ARG 25 HH11 ARG 25 15.837 22.676 -26.224
198 HH12 ARG 25 HH12 ARG 25 17.536 22.353 -26.319
199 HH21 ARG 25 HH21 ARG 25 18.489 25.402 -24.898
200 HH22 ARG 25 HH22 ARG 25 19.044 23.903 -25.564
Start of MODEL 4
1 H1 GLY 1 H GLY 1 1.832 0.152 0.465
2 HA2 GLY 1 HA2 GLY 1 3.855 2.002 -0.624
3 HA3 GLY 1 HA3 GLY 1 3.187 0.624 -1.486
4 H ALA 2 H ALA 2 3.321 3.392 -2.347
5 HA ALA 2 HA ALA 2 0.776 3.653 -3.487
6 HB1 ALA 2 HB1 ALA 2 -0.097 4.283 -1.382
7 HB2 ALA 2 HB2 ALA 2 1.258 5.367 -1.063
8 HB3 ALA 2 HB3 ALA 2 0.078 5.774 -2.309
9 H TRP 3 H TRP 3 3.725 5.246 -2.433
10 HA TRP 3 HA TRP 3 3.655 7.454 -4.161
11 HB2 TRP 3 HB2 TRP 3 6.123 7.522 -3.829
12 HB3 TRP 3 HB3 TRP 3 5.222 7.375 -2.322
13 HD1 TRP 3 HD1 TRP 3 5.656 5.253 -0.850
14 HE1 TRP 3 HE1 TRP 3 7.309 3.286 -1.008
15 HE3 TRP 3 HE3 TRP 3 7.340 5.989 -5.620
16 HZ2 TRP 3 HZ2 TRP 3 9.092 2.193 -2.903
17 HZ3 TRP 3 HZ3 TRP 3 9.019 4.439 -6.531
18 HH2 TRP 3 HH2 TRP 3 9.876 2.581 -5.199
19 H LYS 4 H LYS 4 4.508 4.120 -4.693
20 HA LYS 4 HA LYS 4 5.951 4.424 -7.096
21 HB2 LYS 4 HB2 LYS 4 5.357 2.026 -7.478
22 HB3 LYS 4 HB3 LYS 4 6.072 2.346 -5.903
23 HG2 LYS 4 HG2 LYS 4 4.372 1.156 -5.095
24 HG3 LYS 4 HG3 LYS 4 3.403 2.604 -5.381
25 HD2 LYS 4 HD2 LYS 4 2.267 0.725 -6.350
26 HD3 LYS 4 HD3 LYS 4 2.891 1.733 -7.658
27 HE2 LYS 4 HE2 LYS 4 4.144 0.067 -8.443
28 HE3 LYS 4 HE3 LYS 4 4.824 -0.257 -6.849
29 HZ1 LYS 4 HZ1 LYS 4 2.970 -1.643 -6.322
30 HZ2 LYS 4 HZ2 LYS 4 3.587 -2.150 -7.813
31 HZ3 LYS 4 HZ3 LYS 4 2.169 -1.230 -7.754
32 H ASN 5 H ASN 5 2.505 3.940 -6.443
33 HA ASN 5 HA ASN 5 1.733 3.769 -9.172
34 HB2 ASN 5 HB2 ASN 5 0.072 4.530 -6.758
35 HB3 ASN 5 HB3 ASN 5 -0.556 4.047 -8.331
36 HD21 ASN 5 HD21 ASN 5 0.454 3.012 -5.293
37 HD22 ASN 5 HD22 ASN 5 0.431 1.310 -5.588
38 H PHE 6 H PHE 6 2.047 6.413 -6.878
39 HA PHE 6 HA PHE 6 0.782 8.369 -8.520
40 HB2 PHE 6 HB2 PHE 6 0.823 8.888 -6.227
41 HB3 PHE 6 HB3 PHE 6 2.534 8.503 -6.079
42 HD1 PHE 6 HD1 PHE 6 0.221 10.908 -7.720
43 HD2 PHE 6 HD2 PHE 6 4.102 10.200 -6.125
44 HE1 PHE 6 HE1 PHE 6 0.776 13.286 -8.025
45 HE2 PHE 6 HE2 PHE 6 4.664 12.576 -6.426
46 HZ PHE 6 HZ PHE 6 2.999 14.123 -7.376
47 H TRP 7 H TRP 7 4.190 7.670 -7.768
48 HA TRP 7 HA TRP 7 5.324 9.621 -9.414
49 HB2 TRP 7 HB2 TRP 7 6.250 7.162 -8.074
50 HB3 TRP 7 HB3 TRP 7 7.196 7.643 -9.480
51 HD1 TRP 7 HD1 TRP 7 7.195 8.108 -5.906
52 HE1 TRP 7 HE1 TRP 7 8.483 10.226 -5.212
53 HE3 TRP 7 HE3 TRP 7 7.448 10.432 -10.453
54 HZ2 TRP 7 HZ2 TRP 7 9.474 12.572 -6.430
55 HZ3 TRP 7 HZ3 TRP 7 8.583 12.610 -10.603
56 HH2 TRP 7 HH2 TRP 7 9.574 13.656 -8.631
57 H SER 8 H SER 8 4.912 6.143 -10.105
58 HA SER 8 HA SER 8 5.779 6.139 -12.724
59 HB2 SER 8 HB2 SER 8 5.187 4.116 -11.373
60 HB3 SER 8 HB3 SER 8 3.485 4.482 -11.651
61 HG SER 8 HG SER 8 3.766 3.335 -13.390
62 H SER 9 H SER 9 2.617 7.010 -11.442
63 HA SER 9 HA SER 9 1.173 7.143 -13.819
64 HB2 SER 9 HB2 SER 9 0.169 7.342 -11.561
65 HB3 SER 9 HB3 SER 9 0.882 8.948 -11.404
66 HG SER 9 HG SER 9 -1.170 9.262 -12.132
67 H LEU 10 H LEU 10 3.345 9.485 -12.337
68 HA LEU 10 HA LEU 10 2.792 11.499 -14.335
69 HB2 LEU 10 HB2 LEU 10 4.951 11.411 -12.234
70 HB3 LEU 10 HB3 LEU 10 4.482 12.816 -13.189
71 HG LEU 10 HG LEU 10 2.202 11.787 -11.775
72 HD11 LEU 10 HD11 LEU 10 4.370 11.140 -10.342
73 HD12 LEU 10 HD12 LEU 10 2.845 11.645 -9.615
74 HD13 LEU 10 HD13 LEU 10 4.156 12.808 -9.812
75 HD21 LEU 10 HD21 LEU 10 2.795 14.117 -12.736
76 HD22 LEU 10 HD22 LEU 10 3.617 14.360 -11.195
77 HD23 LEU 10 HD23 LEU 10 1.887 14.016 -11.228
78 H ARG 11 H ARG 11 5.241 9.079 -13.678
79 HA ARG 11 HA ARG 11 7.299 9.901 -15.321
80 HB2 ARG 11 HB2 ARG 11 6.406 7.383 -14.157
81 HB3 ARG 11 HB3 ARG 11 7.216 7.154 -15.701
82 HG2 ARG 11 HG2 ARG 11 8.678 9.009 -14.060
83 HG3 ARG 11 HG3 ARG 11 8.395 7.495 -13.199
84 HD2 ARG 11 HD2 ARG 11 9.229 7.203 -16.002
85 HD3 ARG 11 HD3 ARG 11 10.435 7.924 -14.936
86 HE ARG 11 HE ARG 11 9.223 5.521 -13.906
87 HH11 ARG 11 HH11 ARG 11 11.793 6.855 -15.839
88 HH12 ARG 11 HH12 ARG 11 12.830 5.482 -15.641
89 HH21 ARG 11 HH21 ARG 11 10.580 3.707 -13.638
90 HH22 ARG 11 HH22 ARG 11 12.139 3.691 -14.390
91 H LYS 12 H LYS 12 4.379 8.093 -16.191
92 HA LYS 12 HA LYS 12 5.056 7.703 -18.909
93 HB2 LYS 12 HB2 LYS 12 2.274 7.876 -17.747
94 HB3 LYS 12 HB3 LYS 12 2.760 7.050 -19.222
95 HG2 LYS 12 HG2 LYS 12 3.929 5.380 -17.997
96 HG3 LYS 12 HG3 LYS 12 3.747 6.278 -16.488
97 HD2 LYS 12 HD2 LYS 12 1.211 6.048 -16.927
98 HD3 LYS 12 HD3 LYS 12 1.680 4.773 -18.055
99 HE2 LYS 12 HE2 LYS 12 2.992 3.758 -16.138
100 HE3 LYS 12 HE3 LYS 12 2.159 4.902 -15.087
101 HZ1 LYS 12 HZ1 LYS 12 1.180 2.488 -16.318
102 HZ2 LYS 12 HZ2 LYS 12 0.130 3.804 -16.478
103 HZ3 LYS 12 HZ3 LYS 12 0.627 3.302 -14.941
104 H GLY 13 H GLY 13 3.608 10.354 -17.163
105 HA2 GLY 13 HA2 GLY 13 2.650 11.705 -19.522
106 HA3 GLY 13 HA3 GLY 13 2.700 12.358 -17.891
107 H PHE 14 H PHE 14 5.564 11.759 -17.586
108 HA PHE 14 HA PHE 14 6.558 14.191 -18.758
109 HB2 PHE 14 HB2 PHE 14 7.471 12.253 -16.728
110 HB3 PHE 14 HB3 PHE 14 8.754 13.038 -17.644
111 HD1 PHE 14 HD1 PHE 14 5.679 13.807 -15.696
112 HD2 PHE 14 HD2 PHE 14 9.512 15.122 -16.997
113 HE1 PHE 14 HE1 PHE 14 5.482 15.793 -14.257
114 HE2 PHE 14 HE2 PHE 14 9.322 17.109 -15.560
115 HZ PHE 14 HZ PHE 14 7.306 17.447 -14.187
116 H TYR 15 H TYR 15 7.006 10.738 -19.250
117 HA TYR 15 HA TYR 15 9.172 10.978 -21.082
118 HB2 TYR 15 HB2 TYR 15 7.611 8.853 -19.906
119 HB3 TYR 15 HB3 TYR 15 7.817 8.576 -21.632
120 HD1 TYR 15 HD1 TYR 15 10.373 9.188 -22.411
121 HD2 TYR 15 HD2 TYR 15 9.166 7.821 -18.567
122 HE1 TYR 15 HE1 TYR 15 12.645 8.337 -22.008
123 HE2 TYR 15 HE2 TYR 15 11.435 6.966 -18.152
124 HH TYR 15 HH TYR 15 13.501 6.207 -20.114
125 H ASP 16 H ASP 16 5.726 11.191 -21.360
126 HA ASP 16 HA ASP 16 5.405 10.615 -24.084
127 HB2 ASP 16 HB2 ASP 16 3.848 12.037 -22.007
128 HB3 ASP 16 HB3 ASP 16 3.466 12.458 -23.674
129 H GLY 17 H GLY 17 6.684 13.399 -22.461
130 HA2 GLY 17 HA2 GLY 17 8.141 14.569 -24.312
131 HA3 GLY 17 HA3 GLY 17 6.546 15.021 -24.894
132 H GLU 18 H GLU 18 5.713 15.068 -21.935
133 HA GLU 18 HA GLU 18 5.827 17.827 -21.567
134 HB2 GLU 18 HB2 GLU 18 5.349 15.571 -19.626
135 HB3 GLU 18 HB3 GLU 18 5.248 17.260 -19.148
136 HG2 GLU 18 HG2 GLU 18 3.639 17.311 -21.287
137 HG3 GLU 18 HG3 GLU 18 3.410 15.637 -20.784
138 H ALA 19 H ALA 19 8.112 15.349 -20.756
139 HA ALA 19 HA ALA 19 9.584 16.587 -18.744
140 HB1 ALA 19 HB1 ALA 19 10.487 14.724 -20.933
141 HB2 ALA 19 HB2 ALA 19 11.486 15.195 -19.557
142 HB3 ALA 19 HB3 ALA 19 9.991 14.295 -19.295
143 H GLY 20 H GLY 20 9.372 17.311 -22.119
144 HA2 GLY 20 HA2 GLY 20 11.537 19.296 -21.791
145 HA3 GLY 20 HA3 GLY 20 11.259 18.435 -23.298
146 H ARG 21 H ARG 21 8.316 18.645 -22.959
147 HA ARG 21 HA ARG 21 7.994 21.147 -24.310
148 HB2 ARG 21 HB2 ARG 21 6.633 18.789 -24.346
149 HB3 ARG 21 HB3 ARG 21 5.572 19.773 -23.346
150 HG2 ARG 21 HG2 ARG 21 5.766 21.521 -25.218
151 HG3 ARG 21 HG3 ARG 21 6.385 20.187 -26.195
152 HD2 ARG 21 HD2 ARG 21 3.845 19.843 -24.664
153 HD3 ARG 21 HD3 ARG 21 3.831 20.744 -26.180
154 HE ARG 21 HE ARG 21 5.163 18.299 -26.566
155 HH11 ARG 21 HH11 ARG 21 1.972 19.562 -25.983
156 HH12 ARG 21 HH12 ARG 21 1.167 18.260 -26.794
157 HH21 ARG 21 HH21 ARG 21 4.115 16.579 -27.637
158 HH22 ARG 21 HH22 ARG 21 2.387 16.563 -27.734
159 H ALA 22 H ALA 22 7.721 20.071 -21.048
160 HA ALA 22 HA ALA 22 5.899 21.947 -20.030
161 HB1 ALA 22 HB1 ALA 22 8.237 20.637 -18.646
162 HB2 ALA 22 HB2 ALA 22 6.901 21.467 -17.847
163 HB3 ALA 22 HB3 ALA 22 6.600 19.991 -18.765
164 H ILE 23 H ILE 23 9.083 22.336 -21.198
165 HA ILE 23 HA ILE 23 9.472 24.854 -19.755
166 HB ILE 23 HB ILE 23 11.400 23.612 -21.706
167 HG12 ILE 23 HG12 ILE 23 12.355 23.064 -19.161
168 HG13 ILE 23 HG13 ILE 23 10.635 22.708 -19.037
169 HG21 ILE 23 HG21 ILE 23 11.480 25.803 -19.701
170 HG22 ILE 23 HG22 ILE 23 12.944 24.857 -19.962
171 HG23 ILE 23 HG23 ILE 23 12.197 25.714 -21.310
172 HD11 ILE 23 HD11 ILE 23 12.267 20.839 -19.724
173 HD12 ILE 23 HD12 ILE 23 10.747 21.012 -20.602
174 HD13 ILE 23 HD13 ILE 23 12.245 21.621 -21.305
175 H ARG 24 H ARG 24 7.962 23.867 -22.489
176 HA ARG 24 HA ARG 24 7.280 24.867 -24.417
177 HB2 ARG 24 HB2 ARG 24 7.743 27.154 -22.551
178 HB3 ARG 24 HB3 ARG 24 7.392 27.500 -24.239
179 HG2 ARG 24 HG2 ARG 24 5.368 27.565 -22.916
180 HG3 ARG 24 HG3 ARG 24 5.310 26.226 -24.064
181 HD2 ARG 24 HD2 ARG 24 4.518 25.739 -21.702
182 HD3 ARG 24 HD3 ARG 24 5.709 24.631 -22.382
183 HE ARG 24 HE ARG 24 7.155 25.258 -20.734
184 HH11 ARG 24 HH11 ARG 24 4.680 27.689 -21.031
185 HH12 ARG 24 HH12 ARG 24 5.221 28.594 -19.656
186 HH21 ARG 24 HH21 ARG 24 7.876 26.440 -18.921
187 HH22 ARG 24 HH22 ARG 24 7.039 27.883 -18.457
188 H ARG 25 H ARG 25 10.154 24.200 -24.050
189 HA ARG 25 HA ARG 25 11.714 26.186 -25.359
190 HB2 ARG 25 HB2 ARG 25 12.100 23.366 -24.511
191 HB3 ARG 25 HB3 ARG 25 13.160 23.968 -25.778
192 HG2 ARG 25 HG2 ARG 25 12.886 25.759 -23.478
193 HG3 ARG 25 HG3 ARG 25 13.627 24.199 -23.116
194 HD2 ARG 25 HD2 ARG 25 15.379 25.707 -23.690
195 HD3 ARG 25 HD3 ARG 25 15.181 24.588 -25.038
196 HE ARG 25 HE ARG 25 14.503 26.340 -26.360
197 HH11 ARG 25 HH11 ARG 25 14.547 27.340 -23.025
198 HH12 ARG 25 HH12 ARG 25 14.306 29.017 -23.390
199 HH21 ARG 25 HH21 ARG 25 14.187 28.545 -26.852
200 HH22 ARG 25 HH22 ARG 25 14.101 29.701 -25.566
Start of MODEL 5
1 H1 GLY 1 H GLY 1 4.593 1.660 0.720
2 HA2 GLY 1 HA2 GLY 1 5.124 3.684 -0.244
3 HA3 GLY 1 HA3 GLY 1 6.187 2.704 -1.244
4 H ALA 2 H ALA 2 2.948 4.076 -1.008
5 HA ALA 2 HA ALA 2 2.047 3.327 -3.568
6 HB1 ALA 2 HB1 ALA 2 0.642 4.189 -1.667
7 HB2 ALA 2 HB2 ALA 2 1.211 5.807 -2.082
8 HB3 ALA 2 HB3 ALA 2 0.277 4.874 -3.251
9 H TRP 3 H TRP 3 4.389 5.592 -2.600
10 HA TRP 3 HA TRP 3 4.188 7.643 -4.433
11 HB2 TRP 3 HB2 TRP 3 6.624 7.905 -4.197
12 HB3 TRP 3 HB3 TRP 3 5.851 7.621 -2.640
13 HD1 TRP 3 HD1 TRP 3 6.459 5.389 -1.354
14 HE1 TRP 3 HE1 TRP 3 8.307 3.628 -1.686
15 HE3 TRP 3 HE3 TRP 3 7.997 6.702 -6.049
16 HZ2 TRP 3 HZ2 TRP 3 10.171 2.894 -3.675
17 HZ3 TRP 3 HZ3 TRP 3 9.819 5.420 -7.095
18 HH2 TRP 3 HH2 TRP 3 10.882 3.556 -5.931
19 H LYS 4 H LYS 4 5.190 4.345 -4.931
20 HA LYS 4 HA LYS 4 6.472 4.680 -7.427
21 HB2 LYS 4 HB2 LYS 4 6.158 2.257 -7.690
22 HB3 LYS 4 HB3 LYS 4 6.767 2.661 -6.090
23 HG2 LYS 4 HG2 LYS 4 4.186 2.639 -5.504
24 HG3 LYS 4 HG3 LYS 4 4.136 1.562 -6.902
25 HD2 LYS 4 HD2 LYS 4 5.892 1.219 -4.470
26 HD3 LYS 4 HD3 LYS 4 4.414 0.315 -4.811
27 HE2 LYS 4 HE2 LYS 4 5.697 -0.187 -7.077
28 HE3 LYS 4 HE3 LYS 4 7.104 0.119 -6.061
29 HZ1 LYS 4 HZ1 LYS 4 6.073 -1.536 -4.471
30 HZ2 LYS 4 HZ2 LYS 4 6.707 -2.167 -5.907
31 HZ3 LYS 4 HZ3 LYS 4 5.035 -1.971 -5.735
32 H ASN 5 H ASN 5 3.128 3.896 -6.546
33 HA ASN 5 HA ASN 5 2.215 3.626 -9.225
34 HB2 ASN 5 HB2 ASN 5 0.648 4.207 -6.702
35 HB3 ASN 5 HB3 ASN 5 -0.041 3.691 -8.238
36 HD21 ASN 5 HD21 ASN 5 1.835 2.741 -5.471
37 HD22 ASN 5 HD22 ASN 5 1.730 1.037 -5.733
38 H PHE 6 H PHE 6 2.602 6.312 -7.044
39 HA PHE 6 HA PHE 6 0.968 8.125 -8.557
40 HB2 PHE 6 HB2 PHE 6 1.161 8.625 -6.250
41 HB3 PHE 6 HB3 PHE 6 2.915 8.480 -6.285
42 HD1 PHE 6 HD1 PHE 6 0.144 10.520 -7.702
43 HD2 PHE 6 HD2 PHE 6 4.211 10.382 -6.455
44 HE1 PHE 6 HE1 PHE 6 0.332 12.948 -8.057
45 HE2 PHE 6 HE2 PHE 6 4.405 12.809 -6.806
46 HZ PHE 6 HZ PHE 6 2.464 14.096 -7.608
47 H TRP 7 H TRP 7 4.478 7.818 -8.023
48 HA TRP 7 HA TRP 7 5.283 9.820 -9.789
49 HB2 TRP 7 HB2 TRP 7 6.552 7.515 -8.462
50 HB3 TRP 7 HB3 TRP 7 7.340 8.033 -9.950
51 HD1 TRP 7 HD1 TRP 7 7.556 8.628 -6.403
52 HE1 TRP 7 HE1 TRP 7 8.669 10.887 -5.872
53 HE3 TRP 7 HE3 TRP 7 7.234 10.797 -11.021
54 HZ2 TRP 7 HZ2 TRP 7 9.324 13.273 -7.231
55 HZ3 TRP 7 HZ3 TRP 7 8.126 13.070 -11.322
56 HH2 TRP 7 HH2 TRP 7 9.149 14.281 -9.465
57 H SER 8 H SER 8 5.158 6.303 -10.384
58 HA SER 8 HA SER 8 5.860 6.310 -13.053
59 HB2 SER 8 HB2 SER 8 5.534 4.279 -11.619
60 HB3 SER 8 HB3 SER 8 3.792 4.481 -11.810
61 HG SER 8 HG SER 8 5.296 3.128 -13.375
62 H SER 9 H SER 9 2.703 6.891 -11.593
63 HA SER 9 HA SER 9 1.127 6.854 -13.889
64 HB2 SER 9 HB2 SER 9 0.216 6.960 -11.594
65 HB3 SER 9 HB3 SER 9 0.788 8.622 -11.454
66 HG SER 9 HG SER 9 -0.939 7.827 -13.540
67 H LEU 10 H LEU 10 3.094 9.435 -12.511
68 HA LEU 10 HA LEU 10 2.241 11.356 -14.493
69 HB2 LEU 10 HB2 LEU 10 4.496 11.519 -12.499
70 HB3 LEU 10 HB3 LEU 10 3.830 12.857 -13.433
71 HG LEU 10 HG LEU 10 1.749 11.596 -11.905
72 HD11 LEU 10 HD11 LEU 10 2.508 11.548 -9.778
73 HD12 LEU 10 HD12 LEU 10 3.677 12.840 -10.046
74 HD13 LEU 10 HD13 LEU 10 4.039 11.198 -10.579
75 HD21 LEU 10 HD21 LEU 10 1.198 13.773 -11.382
76 HD22 LEU 10 HD22 LEU 10 2.070 13.981 -12.901
77 HD23 LEU 10 HD23 LEU 10 2.879 14.308 -11.368
78 H ARG 11 H ARG 11 4.957 9.210 -13.951
79 HA ARG 11 HA ARG 11 6.841 10.234 -15.687
80 HB2 ARG 11 HB2 ARG 11 6.267 7.640 -14.486
81 HB3 ARG 11 HB3 ARG 11 7.028 7.493 -16.065
82 HG2 ARG 11 HG2 ARG 11 8.351 9.494 -14.469
83 HG3 ARG 11 HG3 ARG 11 8.282 7.945 -13.626
84 HD2 ARG 11 HD2 ARG 11 9.010 7.797 -16.472
85 HD3 ARG 11 HD3 ARG 11 10.177 8.624 -15.442
86 HE ARG 11 HE ARG 11 9.282 6.083 -14.419
87 HH11 ARG 11 HH11 ARG 11 11.601 7.729 -16.428
88 HH12 ARG 11 HH12 ARG 11 12.790 6.474 -16.309
89 HH21 ARG 11 HH21 ARG 11 10.839 4.424 -14.255
90 HH22 ARG 11 HH22 ARG 11 12.355 4.594 -15.073
91 H LYS 12 H LYS 12 4.087 8.132 -16.422
92 HA LYS 12 HA LYS 12 4.674 7.804 -19.169
93 HB2 LYS 12 HB2 LYS 12 1.946 7.690 -17.879
94 HB3 LYS 12 HB3 LYS 12 2.447 6.914 -19.376
95 HG2 LYS 12 HG2 LYS 12 3.833 5.376 -18.210
96 HG3 LYS 12 HG3 LYS 12 3.641 6.259 -16.694
97 HD2 LYS 12 HD2 LYS 12 1.121 5.774 -17.001
98 HD3 LYS 12 HD3 LYS 12 1.657 4.545 -18.149
99 HE2 LYS 12 HE2 LYS 12 3.087 3.579 -16.367
100 HE3 LYS 12 HE3 LYS 12 2.412 4.751 -15.236
101 HZ1 LYS 12 HZ1 LYS 12 1.236 2.712 -14.996
102 HZ2 LYS 12 HZ2 LYS 12 0.950 2.597 -16.659
103 HZ3 LYS 12 HZ3 LYS 12 0.193 3.808 -15.753
104 H GLY 13 H GLY 13 3.077 10.311 -17.354
105 HA2 GLY 13 HA2 GLY 13 1.866 11.542 -19.667
106 HA3 GLY 13 HA3 GLY 13 1.917 12.200 -18.038
107 H PHE 14 H PHE 14 4.835 11.911 -17.850
108 HA PHE 14 HA PHE 14 5.519 14.423 -19.081
109 HB2 PHE 14 HB2 PHE 14 6.847 12.553 -17.164
110 HB3 PHE 14 HB3 PHE 14 7.836 13.737 -18.014
111 HD1 PHE 14 HD2 PHE 14 4.548 13.678 -16.241
112 HD2 PHE 14 HD1 PHE 14 8.263 15.660 -16.858
113 HE1 PHE 14 HE2 PHE 14 3.905 15.389 -14.594
114 HE2 PHE 14 HE1 PHE 14 7.627 17.374 -15.211
115 HZ PHE 14 HZ PHE 14 5.444 17.240 -14.078
116 H TYR 15 H TYR 15 6.166 11.037 -19.635
117 HA TYR 15 HA TYR 15 8.354 11.328 -21.395
118 HB2 TYR 15 HB2 TYR 15 6.546 9.182 -20.559
119 HB3 TYR 15 HB3 TYR 15 7.089 9.025 -22.226
120 HD1 TYR 15 HD1 TYR 15 9.766 9.661 -22.409
121 HD2 TYR 15 HD2 TYR 15 7.781 7.976 -19.044
122 HE1 TYR 15 HE1 TYR 15 11.900 8.721 -21.628
123 HE2 TYR 15 HE2 TYR 15 9.910 7.033 -18.253
124 HH TYR 15 HH TYR 15 12.885 7.990 -19.400
125 H ASP 16 H ASP 16 4.933 11.695 -21.807
126 HA ASP 16 HA ASP 16 4.713 11.332 -24.574
127 HB2 ASP 16 HB2 ASP 16 3.135 12.756 -22.492
128 HB3 ASP 16 HB3 ASP 16 2.814 13.171 -24.173
129 H GLY 17 H GLY 17 6.019 13.945 -22.703
130 HA2 GLY 17 HA2 GLY 17 7.615 15.173 -24.394
131 HA3 GLY 17 HA3 GLY 17 6.071 15.726 -25.026
132 H GLU 18 H GLU 18 5.103 15.602 -22.100
133 HA GLU 18 HA GLU 18 5.352 18.343 -21.554
134 HB2 GLU 18 HB2 GLU 18 4.557 16.032 -19.781
135 HB3 GLU 18 HB3 GLU 18 4.456 17.714 -19.281
136 HG2 GLU 18 HG2 GLU 18 3.013 18.048 -21.369
137 HG3 GLU 18 HG3 GLU 18 2.888 16.290 -21.396
138 H ALA 19 H ALA 19 7.477 15.738 -20.954
139 HA ALA 19 HA ALA 19 8.801 16.516 -18.639
140 HB1 ALA 19 HB1 ALA 19 9.797 14.598 -19.156
141 HB2 ALA 19 HB2 ALA 19 9.295 14.722 -20.843
142 HB3 ALA 19 HB3 ALA 19 10.786 15.498 -20.307
143 H GLY 20 H GLY 20 8.860 17.911 -21.810
144 HA2 GLY 20 HA2 GLY 20 10.732 19.951 -20.822
145 HA3 GLY 20 HA3 GLY 20 11.056 19.172 -22.363
146 H ARG 21 H ARG 21 8.372 19.009 -23.277
147 HA ARG 21 HA ARG 21 8.107 21.552 -24.470
148 HB2 ARG 21 HB2 ARG 21 7.329 19.505 -25.563
149 HB3 ARG 21 HB3 ARG 21 6.119 19.281 -24.307
150 HG2 ARG 21 HG2 ARG 21 4.882 21.160 -25.028
151 HG3 ARG 21 HG3 ARG 21 6.194 21.709 -26.072
152 HD2 ARG 21 HD2 ARG 21 4.976 19.018 -26.514
153 HD3 ARG 21 HD3 ARG 21 4.135 20.459 -27.084
154 HE ARG 21 HE ARG 21 6.423 19.251 -28.256
155 HH11 ARG 21 HH11 ARG 21 4.913 22.330 -27.657
156 HH12 ARG 21 HH12 ARG 21 5.649 23.104 -29.021
157 HH21 ARG 21 HH21 ARG 21 7.398 20.258 -30.056
158 HH22 ARG 21 HH22 ARG 21 7.061 21.924 -30.386
159 H ALA 22 H ALA 22 6.825 20.177 -21.562
160 HA ALA 22 HA ALA 22 4.673 22.041 -21.245
161 HB1 ALA 22 HB1 ALA 22 5.953 20.437 -19.048
162 HB2 ALA 22 HB2 ALA 22 4.296 21.035 -19.146
163 HB3 ALA 22 HB3 ALA 22 4.828 19.733 -20.209
164 H ILE 23 H ILE 23 8.055 22.076 -20.604
165 HA ILE 23 HA ILE 23 7.796 24.393 -18.825
166 HB ILE 23 HB ILE 23 10.366 22.999 -19.540
167 HG12 ILE 23 HG12 ILE 23 9.772 22.076 -17.048
168 HG13 ILE 23 HG13 ILE 23 8.170 22.117 -17.777
169 HG21 ILE 23 HG21 ILE 23 9.706 25.276 -18.000
170 HG22 ILE 23 HG22 ILE 23 10.241 24.021 -16.885
171 HG23 ILE 23 HG23 ILE 23 11.285 24.522 -18.214
172 HD11 ILE 23 HD11 ILE 23 10.547 20.727 -18.983
173 HD12 ILE 23 HD12 ILE 23 9.316 19.940 -17.995
174 HD13 ILE 23 HD13 ILE 23 8.876 20.663 -19.542
175 H ARG 24 H ARG 24 7.937 23.850 -22.030
176 HA ARG 24 HA ARG 24 8.550 25.052 -23.863
177 HB2 ARG 24 HB2 ARG 24 8.172 27.122 -21.741
178 HB3 ARG 24 HB3 ARG 24 8.833 27.613 -23.295
179 HG2 ARG 24 HG2 ARG 24 6.438 27.943 -23.245
180 HG3 ARG 24 HG3 ARG 24 6.861 26.694 -24.418
181 HD2 ARG 24 HD2 ARG 24 4.868 26.211 -22.934
182 HD3 ARG 24 HD3 ARG 24 6.115 24.966 -22.998
183 HE ARG 24 HE ARG 24 6.481 25.288 -20.769
184 HH11 ARG 24 HH11 ARG 24 4.806 28.062 -22.040
185 HH12 ARG 24 HH12 ARG 24 4.581 28.800 -20.488
186 HH21 ARG 24 HH21 ARG 24 6.191 26.249 -18.721
187 HH22 ARG 24 HH22 ARG 24 5.370 27.768 -18.601
188 H ARG 25 H ARG 25 10.612 23.765 -23.591
189 HA ARG 25 HA ARG 25 12.938 24.924 -22.512
190 HB2 ARG 25 HB2 ARG 25 12.399 22.730 -24.476
191 HB3 ARG 25 HB3 ARG 25 14.046 23.307 -24.259
192 HG2 ARG 25 HG2 ARG 25 13.757 22.868 -21.798
193 HG3 ARG 25 HG3 ARG 25 12.247 22.051 -22.207
194 HD2 ARG 25 HD2 ARG 25 13.864 20.348 -22.087
195 HD3 ARG 25 HD3 ARG 25 13.621 20.639 -23.809
196 HE ARG 25 HE ARG 25 15.793 21.337 -23.958
197 HH11 ARG 25 HH11 ARG 25 14.833 21.320 -20.612
198 HH12 ARG 25 HH12 ARG 25 16.427 21.647 -20.017
199 HH21 ARG 25 HH21 ARG 25 17.897 21.767 -23.188
200 HH22 ARG 25 HH22 ARG 25 18.169 21.901 -21.484
Start of MODEL 6
1 H1 GLY 1 H GLY 1 5.230 -0.151 -0.619
2 HA2 GLY 1 HA2 GLY 1 4.919 2.665 0.224
3 HA3 GLY 1 HA3 GLY 1 6.302 2.110 -0.709
4 H ALA 2 H ALA 2 2.830 2.671 -0.789
5 HA ALA 2 HA ALA 2 2.394 2.021 -3.490
6 HB1 ALA 2 HB1 ALA 2 0.873 4.127 -1.977
7 HB2 ALA 2 HB2 ALA 2 0.298 3.079 -3.274
8 HB3 ALA 2 HB3 ALA 2 0.656 2.401 -1.686
9 H TRP 3 H TRP 3 4.048 4.631 -2.063
10 HA TRP 3 HA TRP 3 3.598 6.757 -3.761
11 HB2 TRP 3 HB2 TRP 3 5.959 7.435 -3.238
12 HB3 TRP 3 HB3 TRP 3 4.984 7.043 -1.824
13 HD1 TRP 3 HD1 TRP 3 5.800 5.086 -0.296
14 HE1 TRP 3 HE1 TRP 3 7.883 3.574 -0.294
15 HE3 TRP 3 HE3 TRP 3 7.651 6.246 -4.919
16 HZ2 TRP 3 HZ2 TRP 3 10.028 2.956 -2.022
17 HZ3 TRP 3 HZ3 TRP 3 9.722 5.151 -5.668
18 HH2 TRP 3 HH2 TRP 3 10.885 3.541 -4.248
19 H LYS 4 H LYS 4 5.365 3.815 -4.348
20 HA LYS 4 HA LYS 4 6.852 4.630 -6.594
21 HB2 LYS 4 HB2 LYS 4 6.956 2.204 -7.130
22 HB3 LYS 4 HB3 LYS 4 7.387 2.568 -5.464
23 HG2 LYS 4 HG2 LYS 4 5.967 0.950 -4.908
24 HG3 LYS 4 HG3 LYS 4 4.686 2.098 -5.305
25 HD2 LYS 4 HD2 LYS 4 4.281 1.135 -7.364
26 HD3 LYS 4 HD3 LYS 4 5.901 0.443 -7.475
27 HE2 LYS 4 HE2 LYS 4 5.377 -1.306 -6.012
28 HE3 LYS 4 HE3 LYS 4 3.947 -0.480 -5.394
29 HZ1 LYS 4 HZ1 LYS 4 3.239 -0.701 -7.910
30 HZ2 LYS 4 HZ2 LYS 4 2.959 -1.941 -6.795
31 HZ3 LYS 4 HZ3 LYS 4 4.282 -2.031 -7.846
32 H ASN 5 H ASN 5 3.580 3.346 -6.264
33 HA ASN 5 HA ASN 5 3.087 3.100 -9.052
34 HB2 ASN 5 HB2 ASN 5 1.141 3.360 -6.749
35 HB3 ASN 5 HB3 ASN 5 0.716 2.877 -8.388
36 HD21 ASN 5 HD21 ASN 5 1.865 1.872 -5.360
37 HD22 ASN 5 HD22 ASN 5 2.164 0.217 -5.755
38 H PHE 6 H PHE 6 2.501 5.638 -6.673
39 HA PHE 6 HA PHE 6 1.019 7.326 -8.417
40 HB2 PHE 6 HB2 PHE 6 0.676 7.770 -6.145
41 HB3 PHE 6 HB3 PHE 6 2.398 7.722 -5.779
42 HD1 PHE 6 HD2 PHE 6 0.057 9.674 -7.936
43 HD2 PHE 6 HD1 PHE 6 3.403 9.721 -5.305
44 HE1 PHE 6 HE2 PHE 6 0.158 12.126 -8.113
45 HE2 PHE 6 HE1 PHE 6 3.509 12.173 -5.477
46 HZ PHE 6 HZ PHE 6 1.886 13.379 -6.884
47 H TRP 7 H TRP 7 4.396 7.404 -7.293
48 HA TRP 7 HA TRP 7 5.271 9.639 -8.651
49 HB2 TRP 7 HB2 TRP 7 6.519 7.248 -7.502
50 HB3 TRP 7 HB3 TRP 7 7.442 7.958 -8.823
51 HD1 TRP 7 HD1 TRP 7 7.201 8.164 -5.224
52 HE1 TRP 7 HE1 TRP 7 8.160 10.377 -4.327
53 HE3 TRP 7 HE3 TRP 7 7.381 10.803 -9.599
54 HZ2 TRP 7 HZ2 TRP 7 8.895 12.908 -5.340
55 HZ3 TRP 7 HZ3 TRP 7 8.224 13.114 -9.549
56 HH2 TRP 7 HH2 TRP 7 8.964 14.143 -7.462
57 H SER 8 H SER 8 5.238 6.277 -9.818
58 HA SER 8 HA SER 8 6.269 6.878 -12.383
59 HB2 SER 8 HB2 SER 8 5.731 4.623 -12.962
60 HB3 SER 8 HB3 SER 8 6.214 4.600 -11.267
61 HG SER 8 HG SER 8 4.042 3.611 -12.202
62 H SER 9 H SER 9 3.082 6.994 -11.009
63 HA SER 9 HA SER 9 1.610 6.964 -13.434
64 HB2 SER 9 HB2 SER 9 0.705 6.559 -11.089
65 HB3 SER 9 HB3 SER 9 0.750 8.308 -10.869
66 HG SER 9 HG SER 9 -0.716 6.873 -12.831
67 H LEU 10 H LEU 10 3.612 9.295 -12.005
68 HA LEU 10 HA LEU 10 2.284 11.578 -13.206
69 HB2 LEU 10 HB2 LEU 10 4.929 11.394 -11.771
70 HB3 LEU 10 HB3 LEU 10 4.110 12.881 -12.243
71 HG LEU 10 HG LEU 10 2.649 11.014 -10.454
72 HD11 LEU 10 HD11 LEU 10 5.223 11.544 -9.792
73 HD12 LEU 10 HD12 LEU 10 3.927 11.268 -8.628
74 HD13 LEU 10 HD13 LEU 10 4.393 12.915 -9.056
75 HD21 LEU 10 HD21 LEU 10 2.324 13.472 -9.449
76 HD22 LEU 10 HD22 LEU 10 1.350 12.841 -10.776
77 HD23 LEU 10 HD23 LEU 10 2.723 13.896 -11.113
78 H ARG 11 H ARG 11 5.334 9.801 -13.599
79 HA ARG 11 HA ARG 11 6.405 11.320 -15.681
80 HB2 ARG 11 HB2 ARG 11 7.820 9.411 -16.153
81 HB3 ARG 11 HB3 ARG 11 7.653 9.601 -14.413
82 HG2 ARG 11 HG2 ARG 11 6.407 7.691 -14.183
83 HG3 ARG 11 HG3 ARG 11 5.810 7.753 -15.843
84 HD2 ARG 11 HD2 ARG 11 7.965 7.072 -16.687
85 HD3 ARG 11 HD3 ARG 11 8.658 7.140 -15.067
86 HE ARG 11 HE ARG 11 6.586 5.366 -14.866
87 HH11 ARG 11 HH11 ARG 11 9.438 5.630 -16.846
88 HH12 ARG 11 HH12 ARG 11 9.625 3.918 -17.033
89 HH21 ARG 11 HH21 ARG 11 6.822 3.110 -15.105
90 HH22 ARG 11 HH22 ARG 11 8.135 2.485 -16.044
91 H LYS 12 H LYS 12 3.789 9.087 -15.662
92 HA LYS 12 HA LYS 12 3.753 8.124 -18.255
93 HB2 LYS 12 HB2 LYS 12 1.308 9.027 -16.729
94 HB3 LYS 12 HB3 LYS 12 1.387 7.792 -17.978
95 HG2 LYS 12 HG2 LYS 12 2.995 6.579 -16.377
96 HG3 LYS 12 HG3 LYS 12 2.351 7.671 -15.149
97 HD2 LYS 12 HD2 LYS 12 0.159 6.830 -15.411
98 HD3 LYS 12 HD3 LYS 12 0.576 6.000 -16.912
99 HE2 LYS 12 HE2 LYS 12 1.647 4.283 -15.823
100 HE3 LYS 12 HE3 LYS 12 2.029 5.272 -14.414
101 HZ1 LYS 12 HZ1 LYS 12 -0.770 5.033 -14.688
102 HZ2 LYS 12 HZ2 LYS 12 0.216 4.536 -13.407
103 HZ3 LYS 12 HZ3 LYS 12 -0.074 3.491 -14.706
104 H GLY 13 H GLY 13 3.009 11.319 -17.066
105 HA2 GLY 13 HA2 GLY 13 1.879 12.152 -19.620
106 HA3 GLY 13 HA3 GLY 13 2.030 13.140 -18.175
107 H PHE 14 H PHE 14 4.881 12.392 -17.858
108 HA PHE 14 HA PHE 14 5.970 14.501 -19.460
109 HB2 PHE 14 HB2 PHE 14 7.179 12.564 -17.489
110 HB3 PHE 14 HB3 PHE 14 8.152 13.737 -18.371
111 HD1 PHE 14 HD1 PHE 14 7.900 16.129 -17.949
112 HD2 PHE 14 HD2 PHE 14 5.736 13.233 -15.704
113 HE1 PHE 14 HE1 PHE 14 7.385 17.835 -16.252
114 HE2 PHE 14 HE2 PHE 14 5.216 14.934 -14.004
115 HZ PHE 14 HZ PHE 14 6.040 17.239 -14.277
116 H TYR 15 H TYR 15 5.814 11.043 -19.677
117 HA TYR 15 HA TYR 15 7.967 10.663 -21.485
118 HB2 TYR 15 HB2 TYR 15 6.036 9.038 -20.175
119 HB3 TYR 15 HB3 TYR 15 5.946 8.685 -21.897
120 HD1 TYR 15 HD1 TYR 15 8.523 8.661 -22.948
121 HD2 TYR 15 HD2 TYR 15 7.344 7.548 -19.014
122 HE1 TYR 15 HE1 TYR 15 10.515 7.230 -22.763
123 HE2 TYR 15 HE2 TYR 15 9.334 6.115 -18.817
124 HH TYR 15 HH TYR 15 11.940 6.290 -20.904
125 H ASP 16 H ASP 16 4.682 11.701 -21.853
126 HA ASP 16 HA ASP 16 4.272 11.093 -24.561
127 HB2 ASP 16 HB2 ASP 16 3.030 12.827 -22.546
128 HB3 ASP 16 HB3 ASP 16 2.871 13.429 -24.194
129 H GLY 17 H GLY 17 6.146 13.566 -23.013
130 HA2 GLY 17 HA2 GLY 17 7.874 14.278 -24.861
131 HA3 GLY 17 HA3 GLY 17 6.442 15.059 -25.514
132 H GLU 18 H GLU 18 5.574 15.446 -22.592
133 HA GLU 18 HA GLU 18 6.354 18.117 -22.340
134 HB2 GLU 18 HB2 GLU 18 5.266 16.170 -20.308
135 HB3 GLU 18 HB3 GLU 18 5.519 17.874 -19.962
136 HG2 GLU 18 HG2 GLU 18 4.024 18.344 -21.959
137 HG3 GLU 18 HG3 GLU 18 3.597 16.635 -21.901
138 H ALA 19 H ALA 19 7.943 15.206 -21.393
139 HA ALA 19 HA ALA 19 9.564 16.069 -19.307
140 HB1 ALA 19 HB1 ALA 19 9.715 13.810 -19.636
141 HB2 ALA 19 HB2 ALA 19 9.812 13.959 -21.391
142 HB3 ALA 19 HB3 ALA 19 11.217 14.338 -20.395
143 H GLY 20 H GLY 20 9.697 16.820 -22.686
144 HA2 GLY 20 HA2 GLY 20 12.174 18.354 -22.194
145 HA3 GLY 20 HA3 GLY 20 11.910 17.478 -23.695
146 H ARG 21 H ARG 21 9.158 18.137 -24.017
147 HA ARG 21 HA ARG 21 9.351 20.510 -25.462
148 HB2 ARG 21 HB2 ARG 21 7.515 18.556 -25.338
149 HB3 ARG 21 HB3 ARG 21 6.687 19.775 -24.379
150 HG2 ARG 21 HG2 ARG 21 6.946 21.367 -26.254
151 HG3 ARG 21 HG3 ARG 21 7.658 20.068 -27.212
152 HD2 ARG 21 HD2 ARG 21 5.338 20.254 -27.787
153 HD3 ARG 21 HD3 ARG 21 5.573 18.759 -26.881
154 HE ARG 21 HE ARG 21 4.863 20.549 -24.974
155 HH11 ARG 21 HH11 ARG 21 3.464 19.585 -28.013
156 HH12 ARG 21 HH12 ARG 21 1.835 19.895 -27.511
157 HH21 ARG 21 HH21 ARG 21 2.723 20.961 -24.301
158 HH22 ARG 21 HH22 ARG 21 1.415 20.678 -25.399
159 H ALA 22 H ALA 22 8.633 19.961 -22.106
160 HA ALA 22 HA ALA 22 7.524 22.553 -21.600
161 HB1 ALA 22 HB1 ALA 22 8.724 20.697 -19.559
162 HB2 ALA 22 HB2 ALA 22 7.491 21.934 -19.316
163 HB3 ALA 22 HB3 ALA 22 7.108 20.475 -20.230
164 H ILE 23 H ILE 23 10.693 21.307 -21.946
165 HA ILE 23 HA ILE 23 11.899 23.541 -20.494
166 HB ILE 23 HB ILE 23 13.440 21.403 -21.933
167 HG12 ILE 23 HG12 ILE 23 11.838 20.215 -20.537
168 HG13 ILE 23 HG13 ILE 23 13.442 20.107 -19.822
169 HG21 ILE 23 HG21 ILE 23 14.046 23.613 -20.196
170 HG22 ILE 23 HG22 ILE 23 14.617 22.099 -19.496
171 HG23 ILE 23 HG23 ILE 23 15.139 22.574 -21.112
172 HD11 ILE 23 HD11 ILE 23 11.293 22.027 -18.960
173 HD12 ILE 23 HD12 ILE 23 11.684 20.504 -18.162
174 HD13 ILE 23 HD13 ILE 23 12.872 21.806 -18.207
175 H ARG 24 H ARG 24 10.434 23.807 -23.081
176 HA ARG 24 HA ARG 24 12.298 24.275 -25.160
177 HB2 ARG 24 HB2 ARG 24 9.457 24.521 -24.763
178 HB3 ARG 24 HB3 ARG 24 10.075 25.956 -25.569
179 HG2 ARG 24 HG2 ARG 24 10.313 24.874 -27.491
180 HG3 ARG 24 HG3 ARG 24 11.179 23.546 -26.716
181 HD2 ARG 24 HD2 ARG 24 9.016 22.933 -27.863
182 HD3 ARG 24 HD3 ARG 24 9.168 22.423 -26.182
183 HE ARG 24 HE ARG 24 7.445 23.834 -25.627
184 HH11 ARG 24 HH11 ARG 24 8.560 24.570 -28.842
185 HH12 ARG 24 HH12 ARG 24 7.249 25.648 -29.190
186 HH21 ARG 24 HH21 ARG 24 5.714 25.252 -26.074
187 HH22 ARG 24 HH22 ARG 24 5.632 26.036 -27.615
188 H ARG 25 H ARG 25 11.468 26.043 -22.359
189 HA ARG 25 HA ARG 25 11.802 28.682 -23.089
190 HB2 ARG 25 HB2 ARG 25 12.889 27.465 -20.547
191 HB3 ARG 25 HB3 ARG 25 12.383 29.131 -20.799
192 HG2 ARG 25 HG2 ARG 25 10.118 27.760 -21.443
193 HG3 ARG 25 HG3 ARG 25 10.802 26.760 -20.160
194 HD2 ARG 25 HD2 ARG 25 9.484 28.273 -18.994
195 HD3 ARG 25 HD3 ARG 25 11.092 28.987 -18.891
196 HE ARG 25 HE ARG 25 9.744 30.002 -21.148
197 HH11 ARG 25 HH11 ARG 25 9.723 30.179 -17.671
198 HH12 ARG 25 HH12 ARG 25 9.072 31.784 -17.626
199 HH21 ARG 25 HH21 ARG 25 8.887 32.115 -21.102
200 HH22 ARG 25 HH22 ARG 25 8.596 32.884 -19.579
Start of MODEL 7
1 H1 GLY 1 H GLY 1 2.126 0.503 0.581
2 HA2 GLY 1 HA2 GLY 1 3.108 2.532 0.023
3 HA3 GLY 1 HA3 GLY 1 4.568 1.666 -0.431
4 H ALA 2 H ALA 2 1.251 2.325 -1.509
5 HA ALA 2 HA ALA 2 1.679 1.489 -4.186
6 HB1 ALA 2 HB1 ALA 2 -0.541 1.763 -2.967
7 HB2 ALA 2 HB2 ALA 2 -0.399 3.482 -3.335
8 HB3 ALA 2 HB3 ALA 2 -0.472 2.303 -4.644
9 H TRP 3 H TRP 3 2.738 4.199 -2.490
10 HA TRP 3 HA TRP 3 2.584 6.295 -4.279
11 HB2 TRP 3 HB2 TRP 3 4.801 7.030 -3.234
12 HB3 TRP 3 HB3 TRP 3 3.450 6.770 -2.135
13 HD1 TRP 3 HD1 TRP 3 3.720 4.930 -0.296
14 HE1 TRP 3 HE1 TRP 3 5.664 3.406 0.428
15 HE3 TRP 3 HE3 TRP 3 6.869 5.700 -4.248
16 HZ2 TRP 3 HZ2 TRP 3 8.198 2.633 -0.548
17 HZ3 TRP 3 HZ3 TRP 3 9.034 4.531 -4.277
18 HH2 TRP 3 HH2 TRP 3 9.683 3.030 -2.464
19 H LYS 4 H LYS 4 4.557 3.441 -4.412
20 HA LYS 4 HA LYS 4 6.574 4.258 -6.151
21 HB2 LYS 4 HB2 LYS 4 6.705 1.859 -6.811
22 HB3 LYS 4 HB3 LYS 4 6.689 2.110 -5.070
23 HG2 LYS 4 HG2 LYS 4 4.229 1.622 -5.120
24 HG3 LYS 4 HG3 LYS 4 4.432 1.148 -6.808
25 HD2 LYS 4 HD2 LYS 4 4.514 -0.819 -5.415
26 HD3 LYS 4 HD3 LYS 4 6.117 -0.521 -6.091
27 HE2 LYS 4 HE2 LYS 4 5.987 0.892 -3.659
28 HE3 LYS 4 HE3 LYS 4 5.310 -0.705 -3.348
29 HZ1 LYS 4 HZ1 LYS 4 7.493 -1.162 -3.042
30 HZ2 LYS 4 HZ2 LYS 4 8.029 0.047 -4.096
31 HZ3 LYS 4 HZ3 LYS 4 7.438 -1.412 -4.715
32 H ASN 5 H ASN 5 3.359 2.936 -6.888
33 HA ASN 5 HA ASN 5 3.691 3.067 -9.711
34 HB2 ASN 5 HB2 ASN 5 1.110 2.997 -8.132
35 HB3 ASN 5 HB3 ASN 5 1.315 2.573 -9.829
36 HD21 ASN 5 HD21 ASN 5 1.669 1.555 -6.564
37 HD22 ASN 5 HD22 ASN 5 2.135 -0.076 -6.894
38 H PHE 6 H PHE 6 2.309 5.227 -7.293
39 HA PHE 6 HA PHE 6 1.115 7.071 -9.036
40 HB2 PHE 6 HB2 PHE 6 0.513 7.238 -6.762
41 HB3 PHE 6 HB3 PHE 6 2.191 7.301 -6.235
42 HD1 PHE 6 HD2 PHE 6 -0.345 9.215 -8.163
43 HD2 PHE 6 HD1 PHE 6 3.203 9.342 -5.814
44 HE1 PHE 6 HE2 PHE 6 -0.448 11.673 -8.147
45 HE2 PHE 6 HE1 PHE 6 3.105 11.800 -5.793
46 HZ PHE 6 HZ PHE 6 1.279 12.969 -6.962
47 H TRP 7 H TRP 7 4.352 7.046 -7.572
48 HA TRP 7 HA TRP 7 5.320 9.442 -8.537
49 HB2 TRP 7 HB2 TRP 7 6.499 6.908 -7.623
50 HB3 TRP 7 HB3 TRP 7 7.530 7.833 -8.711
51 HD1 TRP 7 HD1 TRP 7 6.894 7.467 -5.168
52 HE1 TRP 7 HE1 TRP 7 7.693 9.522 -3.840
53 HE3 TRP 7 HE3 TRP 7 7.486 10.756 -9.038
54 HZ2 TRP 7 HZ2 TRP 7 8.470 12.185 -4.363
55 HZ3 TRP 7 HZ3 TRP 7 8.260 13.037 -8.539
56 HH2 TRP 7 HH2 TRP 7 8.741 13.735 -6.249
57 H SER 8 H SER 8 5.576 6.253 -10.110
58 HA SER 8 HA SER 8 6.756 7.247 -12.483
59 HB2 SER 8 HB2 SER 8 6.438 5.052 -13.380
60 HB3 SER 8 HB3 SER 8 6.806 4.850 -11.668
61 HG SER 8 HG SER 8 5.053 3.649 -11.809
62 H SER 9 H SER 9 3.457 6.880 -11.417
63 HA SER 9 HA SER 9 2.140 7.009 -13.884
64 HB2 SER 9 HB2 SER 9 1.164 6.516 -11.556
65 HB3 SER 9 HB3 SER 9 1.062 8.266 -11.365
66 HG SER 9 HG SER 9 -0.835 7.083 -12.272
67 H LEU 10 H LEU 10 3.885 9.392 -12.158
68 HA LEU 10 HA LEU 10 2.568 11.663 -13.348
69 HB2 LEU 10 HB2 LEU 10 5.188 11.492 -11.867
70 HB3 LEU 10 HB3 LEU 10 4.332 12.975 -12.285
71 HG LEU 10 HG LEU 10 2.795 11.051 -10.670
72 HD11 LEU 10 HD11 LEU 10 4.718 12.642 -9.096
73 HD12 LEU 10 HD12 LEU 10 5.357 11.209 -9.902
74 HD13 LEU 10 HD13 LEU 10 4.013 11.058 -8.771
75 HD21 LEU 10 HD21 LEU 10 2.071 13.060 -9.565
76 HD22 LEU 10 HD22 LEU 10 2.025 13.320 -11.309
77 HD23 LEU 10 HD23 LEU 10 3.341 13.999 -10.349
78 H ARG 11 H ARG 11 5.717 10.054 -13.727
79 HA ARG 11 HA ARG 11 6.668 11.708 -15.795
80 HB2 ARG 11 HB2 ARG 11 8.334 9.995 -16.182
81 HB3 ARG 11 HB3 ARG 11 8.095 10.196 -14.451
82 HG2 ARG 11 HG2 ARG 11 7.349 8.101 -14.184
83 HG3 ARG 11 HG3 ARG 11 6.413 8.136 -15.680
84 HD2 ARG 11 HD2 ARG 11 8.067 7.199 -16.875
85 HD3 ARG 11 HD3 ARG 11 9.313 8.158 -16.078
86 HE ARG 11 HE ARG 11 8.453 6.286 -14.231
87 HH11 ARG 11 HH11 ARG 11 9.970 6.294 -17.364
88 HH12 ARG 11 HH12 ARG 11 10.825 4.811 -17.098
89 HH21 ARG 11 HH21 ARG 11 9.573 4.332 -13.869
90 HH22 ARG 11 HH22 ARG 11 10.598 3.695 -15.110
91 H LYS 12 H LYS 12 4.302 9.241 -15.773
92 HA LYS 12 HA LYS 12 4.465 8.167 -18.324
93 HB2 LYS 12 HB2 LYS 12 2.105 8.756 -16.548
94 HB3 LYS 12 HB3 LYS 12 1.917 7.969 -18.109
95 HG2 LYS 12 HG2 LYS 12 3.724 6.332 -17.179
96 HG3 LYS 12 HG3 LYS 12 3.190 6.953 -15.615
97 HD2 LYS 12 HD2 LYS 12 0.802 6.453 -16.648
98 HD3 LYS 12 HD3 LYS 12 1.730 5.301 -17.611
99 HE2 LYS 12 HE2 LYS 12 2.018 3.920 -15.874
100 HE3 LYS 12 HE3 LYS 12 2.416 5.243 -14.779
101 HZ1 LYS 12 HZ1 LYS 12 -0.233 5.575 -15.176
102 HZ2 LYS 12 HZ2 LYS 12 0.456 4.779 -13.852
103 HZ3 LYS 12 HZ3 LYS 12 -0.090 3.889 -15.182
104 H GLY 13 H GLY 13 3.251 11.282 -17.273
105 HA2 GLY 13 HA2 GLY 13 2.254 11.894 -19.951
106 HA3 GLY 13 HA3 GLY 13 2.072 12.897 -18.520
107 H PHE 14 H PHE 14 5.003 12.533 -17.936
108 HA PHE 14 HA PHE 14 5.894 14.859 -19.334
109 HB2 PHE 14 HB2 PHE 14 7.118 13.000 -17.324
110 HB3 PHE 14 HB3 PHE 14 8.128 14.173 -18.163
111 HD1 PHE 14 HD1 PHE 14 7.181 16.635 -18.150
112 HD2 PHE 14 HD2 PHE 14 6.152 13.613 -15.335
113 HE1 PHE 14 HE1 PHE 14 6.508 18.369 -16.540
114 HE2 PHE 14 HE2 PHE 14 5.477 15.342 -13.721
115 HZ PHE 14 HZ PHE 14 5.654 17.723 -14.322
116 H TYR 15 H TYR 15 6.338 11.420 -19.705
117 HA TYR 15 HA TYR 15 8.583 11.513 -21.430
118 HB2 TYR 15 HB2 TYR 15 6.964 9.514 -20.257
119 HB3 TYR 15 HB3 TYR 15 6.915 9.242 -21.995
120 HD1 TYR 15 HD1 TYR 15 9.241 9.268 -23.204
121 HD2 TYR 15 HD2 TYR 15 8.721 8.636 -19.029
122 HE1 TYR 15 HE1 TYR 15 11.444 8.179 -23.101
123 HE2 TYR 15 HE2 TYR 15 10.923 7.546 -18.914
124 HH TYR 15 HH TYR 15 13.107 7.522 -21.645
125 H ASP 16 H ASP 16 5.184 11.978 -21.911
126 HA ASP 16 HA ASP 16 5.013 11.452 -24.667
127 HB2 ASP 16 HB2 ASP 16 3.415 13.135 -22.764
128 HB3 ASP 16 HB3 ASP 16 3.072 13.184 -24.491
129 H GLY 17 H GLY 17 6.301 14.141 -22.895
130 HA2 GLY 17 HA2 GLY 17 7.942 15.281 -24.599
131 HA3 GLY 17 HA3 GLY 17 6.419 15.805 -25.302
132 H GLU 18 H GLU 18 5.333 15.859 -22.434
133 HA GLU 18 HA GLU 18 5.533 18.601 -22.008
134 HB2 GLU 18 HB2 GLU 18 4.819 16.351 -20.132
135 HB3 GLU 18 HB3 GLU 18 4.718 18.043 -19.666
136 HG2 GLU 18 HG2 GLU 18 3.310 17.031 -22.104
137 HG3 GLU 18 HG3 GLU 18 2.599 16.860 -20.500
138 H ALA 19 H ALA 19 7.672 16.042 -21.110
139 HA ALA 19 HA ALA 19 9.011 17.139 -18.935
140 HB1 ALA 19 HB1 ALA 19 11.023 15.841 -20.117
141 HB2 ALA 19 HB2 ALA 19 9.717 15.012 -19.270
142 HB3 ALA 19 HB3 ALA 19 9.676 15.157 -21.028
143 H GLY 20 H GLY 20 9.088 18.034 -22.280
144 HA2 GLY 20 HA2 GLY 20 11.174 20.028 -21.644
145 HA3 GLY 20 HA3 GLY 20 11.152 19.170 -23.178
146 H ARG 21 H ARG 21 8.413 19.247 -23.727
147 HA ARG 21 HA ARG 21 8.151 21.697 -25.012
148 HB2 ARG 21 HB2 ARG 21 6.822 19.383 -25.175
149 HB3 ARG 21 HB3 ARG 21 5.666 20.281 -24.200
150 HG2 ARG 21 HG2 ARG 21 5.930 22.108 -26.019
151 HG3 ARG 21 HG3 ARG 21 6.576 20.788 -26.997
152 HD2 ARG 21 HD2 ARG 21 4.322 20.743 -27.524
153 HD3 ARG 21 HD3 ARG 21 4.441 19.523 -26.256
154 HE ARG 21 HE ARG 21 3.809 22.124 -25.242
155 HH11 ARG 21 HH11 ARG 21 2.486 19.249 -26.692
156 HH12 ARG 21 HH12 ARG 21 0.902 19.487 -26.031
157 HH21 ARG 21 HH21 ARG 21 1.728 22.449 -24.367
158 HH22 ARG 21 HH22 ARG 21 0.471 21.309 -24.710
159 H ALA 22 H ALA 22 7.211 20.724 -21.789
160 HA ALA 22 HA ALA 22 5.525 22.950 -21.242
161 HB1 ALA 22 HB1 ALA 22 5.482 20.790 -20.000
162 HB2 ALA 22 HB2 ALA 22 7.008 21.252 -19.244
163 HB3 ALA 22 HB3 ALA 22 5.558 22.217 -18.966
164 H ILE 23 H ILE 23 8.933 22.507 -21.317
165 HA ILE 23 HA ILE 23 9.509 24.775 -19.607
166 HB ILE 23 HB ILE 23 11.428 23.232 -21.352
167 HG12 ILE 23 HG12 ILE 23 10.787 22.798 -18.428
168 HG13 ILE 23 HG13 ILE 23 10.208 21.775 -19.738
169 HG21 ILE 23 HG21 ILE 23 13.057 24.058 -19.595
170 HG22 ILE 23 HG22 ILE 23 12.420 25.269 -20.707
171 HG23 ILE 23 HG23 ILE 23 11.779 25.153 -19.069
172 HD11 ILE 23 HD11 ILE 23 12.867 21.935 -18.488
173 HD12 ILE 23 HD12 ILE 23 12.010 20.556 -19.177
174 HD13 ILE 23 HD13 ILE 23 12.839 21.698 -20.235
175 H ARG 24 H ARG 24 8.746 24.259 -22.865
176 HA ARG 24 HA ARG 24 8.839 25.543 -24.746
177 HB2 ARG 24 HB2 ARG 24 8.517 27.494 -22.508
178 HB3 ARG 24 HB3 ARG 24 8.799 28.112 -24.130
179 HG2 ARG 24 HG2 ARG 24 6.499 28.086 -23.995
180 HG3 ARG 24 HG3 ARG 24 6.847 26.556 -24.804
181 HD2 ARG 24 HD2 ARG 24 6.881 25.616 -22.365
182 HD3 ARG 24 HD3 ARG 24 5.944 27.065 -22.003
183 HE ARG 24 HE ARG 24 4.886 25.642 -24.235
184 HH11 ARG 24 HH11 ARG 24 5.025 25.692 -20.757
185 HH12 ARG 24 HH12 ARG 24 3.517 24.863 -20.554
186 HH21 ARG 24 HH21 ARG 24 2.899 24.549 -23.982
187 HH22 ARG 24 HH22 ARG 24 2.309 24.213 -22.389
188 H ARG 25 H ARG 25 11.188 24.559 -24.608
189 HA ARG 25 HA ARG 25 13.375 26.231 -24.061
190 HB2 ARG 25 HB2 ARG 25 12.938 23.700 -25.534
191 HB3 ARG 25 HB3 ARG 25 14.381 24.606 -25.968
192 HG2 ARG 25 HG2 ARG 25 13.965 24.319 -23.085
193 HG3 ARG 25 HG3 ARG 25 14.217 22.799 -23.947
194 HD2 ARG 25 HD2 ARG 25 16.018 25.123 -24.477
195 HD3 ARG 25 HD3 ARG 25 16.256 24.148 -23.028
196 HE ARG 25 HE ARG 25 16.074 22.380 -25.148
197 HH11 ARG 25 HH11 ARG 25 18.151 24.992 -24.154
198 HH12 ARG 25 HH12 ARG 25 19.558 24.340 -24.926
199 HH21 ARG 25 HH21 ARG 25 17.920 21.512 -26.169
200 HH22 ARG 25 HH22 ARG 25 19.426 22.361 -26.073
Start of MODEL 8
1 H1 GLY 1 H GLY 1 4.293 0.506 0.601
2 HA2 GLY 1 HA2 GLY 1 4.948 2.619 -0.061
3 HA3 GLY 1 HA3 GLY 1 6.243 1.877 -0.990
4 H ALA 2 H ALA 2 2.746 2.472 -1.026
5 HA ALA 2 HA ALA 2 2.324 1.842 -3.732
6 HB1 ALA 2 HB1 ALA 2 0.753 3.878 -2.169
7 HB2 ALA 2 HB2 ALA 2 0.202 2.867 -3.506
8 HB3 ALA 2 HB3 ALA 2 0.570 2.138 -1.943
9 H TRP 3 H TRP 3 3.896 4.492 -2.277
10 HA TRP 3 HA TRP 3 3.383 6.614 -3.965
11 HB2 TRP 3 HB2 TRP 3 5.706 7.376 -3.418
12 HB3 TRP 3 HB3 TRP 3 4.752 6.917 -2.010
13 HD1 TRP 3 HD1 TRP 3 5.655 4.970 -0.518
14 HE1 TRP 3 HE1 TRP 3 7.801 3.550 -0.546
15 HE3 TRP 3 HE3 TRP 3 7.443 6.291 -5.122
16 HZ2 TRP 3 HZ2 TRP 3 9.966 3.055 -2.288
17 HZ3 TRP 3 HZ3 TRP 3 9.559 5.299 -5.894
18 HH2 TRP 3 HH2 TRP 3 10.793 3.715 -4.505
19 H LYS 4 H LYS 4 5.250 3.735 -4.559
20 HA LYS 4 HA LYS 4 6.717 4.617 -6.796
21 HB2 LYS 4 HB2 LYS 4 6.939 2.208 -7.333
22 HB3 LYS 4 HB3 LYS 4 7.314 2.570 -5.653
23 HG2 LYS 4 HG2 LYS 4 5.968 0.857 -5.183
24 HG3 LYS 4 HG3 LYS 4 4.653 1.985 -5.520
25 HD2 LYS 4 HD2 LYS 4 4.309 1.135 -7.661
26 HD3 LYS 4 HD3 LYS 4 5.911 0.397 -7.729
27 HE2 LYS 4 HE2 LYS 4 4.265 -0.621 -5.548
28 HE3 LYS 4 HE3 LYS 4 3.555 -0.898 -7.137
29 HZ1 LYS 4 HZ1 LYS 4 5.387 -2.486 -6.000
30 HZ2 LYS 4 HZ2 LYS 4 6.377 -1.496 -6.948
31 HZ3 LYS 4 HZ3 LYS 4 5.128 -2.380 -7.669
32 H ASN 5 H ASN 5 3.500 3.193 -6.482
33 HA ASN 5 HA ASN 5 3.026 2.942 -9.273
34 HB2 ASN 5 HB2 ASN 5 1.047 3.122 -6.989
35 HB3 ASN 5 HB3 ASN 5 0.675 2.594 -8.628
36 HD21 ASN 5 HD21 ASN 5 1.689 1.659 -5.562
37 HD22 ASN 5 HD22 ASN 5 2.130 0.029 -5.929
38 H PHE 6 H PHE 6 2.352 5.449 -6.888
39 HA PHE 6 HA PHE 6 0.799 7.080 -8.630
40 HB2 PHE 6 HB2 PHE 6 0.424 7.494 -6.357
41 HB3 PHE 6 HB3 PHE 6 2.144 7.519 -5.981
42 HD1 PHE 6 HD2 PHE 6 -0.311 9.383 -8.086
43 HD2 PHE 6 HD1 PHE 6 3.102 9.553 -5.548
44 HE1 PHE 6 HE2 PHE 6 -0.316 11.838 -8.250
45 HE2 PHE 6 HE1 PHE 6 3.102 12.009 -5.707
46 HZ PHE 6 HZ PHE 6 1.392 13.154 -7.060
47 H TRP 7 H TRP 7 4.153 7.327 -7.458
48 HA TRP 7 HA TRP 7 4.935 9.592 -8.823
49 HB2 TRP 7 HB2 TRP 7 6.293 7.267 -7.647
50 HB3 TRP 7 HB3 TRP 7 7.199 8.047 -8.941
51 HD1 TRP 7 HD1 TRP 7 6.882 8.195 -5.349
52 HE1 TRP 7 HE1 TRP 7 7.673 10.457 -4.409
53 HE3 TRP 7 HE3 TRP 7 6.953 10.898 -9.688
54 HZ2 TRP 7 HZ2 TRP 7 8.251 13.044 -5.379
55 HZ3 TRP 7 HZ3 TRP 7 7.636 13.260 -9.595
56 HH2 TRP 7 HH2 TRP 7 8.271 14.309 -7.484
57 H SER 8 H SER 8 5.192 6.221 -9.951
58 HA SER 8 HA SER 8 6.234 6.813 -12.487
59 HB2 SER 8 HB2 SER 8 5.309 4.528 -13.102
60 HB3 SER 8 HB3 SER 8 6.386 4.564 -11.706
61 HG SER 8 HG SER 8 4.681 3.408 -11.017
62 H SER 9 H SER 9 2.957 6.766 -11.265
63 HA SER 9 HA SER 9 1.644 6.815 -13.781
64 HB2 SER 9 HB2 SER 9 0.629 6.230 -11.509
65 HB3 SER 9 HB3 SER 9 0.538 7.967 -11.220
66 HG SER 9 HG SER 9 -1.370 7.530 -12.135
67 H LEU 10 H LEU 10 3.432 9.143 -12.090
68 HA LEU 10 HA LEU 10 2.064 11.429 -13.245
69 HB2 LEU 10 HB2 LEU 10 4.590 11.273 -11.608
70 HB3 LEU 10 HB3 LEU 10 3.761 12.756 -12.078
71 HG LEU 10 HG LEU 10 2.324 10.697 -10.453
72 HD11 LEU 10 HD11 LEU 10 3.475 12.763 -8.818
73 HD12 LEU 10 HD12 LEU 10 4.737 11.832 -9.623
74 HD13 LEU 10 HD13 LEU 10 3.538 11.011 -8.624
75 HD21 LEU 10 HD21 LEU 10 1.640 13.174 -9.559
76 HD22 LEU 10 HD22 LEU 10 0.776 12.280 -10.809
77 HD23 LEU 10 HD23 LEU 10 1.976 13.492 -11.261
78 H ARG 11 H ARG 11 5.306 9.966 -13.426
79 HA ARG 11 HA ARG 11 6.433 11.614 -15.329
80 HB2 ARG 11 HB2 ARG 11 8.097 10.038 -15.537
81 HB3 ARG 11 HB3 ARG 11 7.380 9.545 -14.009
82 HG2 ARG 11 HG2 ARG 11 6.000 7.896 -15.297
83 HG3 ARG 11 HG3 ARG 11 6.972 8.300 -16.714
84 HD2 ARG 11 HD2 ARG 11 8.748 7.137 -15.977
85 HD3 ARG 11 HD3 ARG 11 8.528 7.670 -14.311
86 HE ARG 11 HE ARG 11 6.510 5.922 -14.631
87 HH11 ARG 11 HH11 ARG 11 9.918 5.726 -15.313
88 HH12 ARG 11 HH12 ARG 11 10.007 4.017 -15.040
89 HH21 ARG 11 HH21 ARG 11 6.614 3.672 -14.269
90 HH22 ARG 11 HH22 ARG 11 8.127 2.850 -14.447
91 H LYS 12 H LYS 12 4.044 9.118 -15.726
92 HA LYS 12 HA LYS 12 4.245 8.497 -18.403
93 HB2 LYS 12 HB2 LYS 12 1.632 8.962 -16.964
94 HB3 LYS 12 HB3 LYS 12 1.919 7.896 -18.333
95 HG2 LYS 12 HG2 LYS 12 3.653 6.837 -16.596
96 HG3 LYS 12 HG3 LYS 12 2.469 7.490 -15.462
97 HD2 LYS 12 HD2 LYS 12 0.688 6.285 -16.649
98 HD3 LYS 12 HD3 LYS 12 1.888 5.617 -17.758
99 HE2 LYS 12 HE2 LYS 12 2.720 5.143 -15.064
100 HE3 LYS 12 HE3 LYS 12 1.055 4.598 -15.259
101 HZ1 LYS 12 HZ1 LYS 12 2.345 2.773 -15.857
102 HZ2 LYS 12 HZ2 LYS 12 3.462 3.704 -16.720
103 HZ3 LYS 12 HZ3 LYS 12 1.912 3.450 -17.347
104 H GLY 13 H GLY 13 3.051 11.425 -16.913
105 HA2 GLY 13 HA2 GLY 13 1.966 12.444 -19.406
106 HA3 GLY 13 HA3 GLY 13 1.998 13.280 -17.861
107 H PHE 14 H PHE 14 4.913 12.691 -17.575
108 HA PHE 14 HA PHE 14 5.844 15.047 -18.942
109 HB2 PHE 14 HB2 PHE 14 7.122 13.106 -17.024
110 HB3 PHE 14 HB3 PHE 14 8.049 14.383 -17.805
111 HD1 PHE 14 HD2 PHE 14 7.664 16.717 -17.253
112 HD2 PHE 14 HD1 PHE 14 5.501 13.602 -15.318
113 HE1 PHE 14 HE2 PHE 14 6.953 18.298 -15.508
114 HE2 PHE 14 HE1 PHE 14 4.786 15.179 -13.571
115 HZ PHE 14 HZ PHE 14 5.513 17.531 -13.663
116 H TYR 15 H TYR 15 6.076 11.603 -19.356
117 HA TYR 15 HA TYR 15 8.306 11.591 -21.116
118 HB2 TYR 15 HB2 TYR 15 6.609 9.667 -19.916
119 HB3 TYR 15 HB3 TYR 15 6.536 9.399 -21.654
120 HD1 TYR 15 HD2 TYR 15 8.988 9.574 -22.804
121 HD2 TYR 15 HD1 TYR 15 8.201 8.465 -18.773
122 HE1 TYR 15 HE2 TYR 15 11.141 8.389 -22.716
123 HE2 TYR 15 HE1 TYR 15 10.353 7.278 -18.673
124 HH TYR 15 HH TYR 15 12.072 6.475 -19.907
125 H ASP 16 H ASP 16 4.923 12.215 -21.520
126 HA ASP 16 HA ASP 16 4.668 11.703 -24.272
127 HB2 ASP 16 HB2 ASP 16 3.200 13.594 -22.433
128 HB3 ASP 16 HB3 ASP 16 2.756 13.368 -24.123
129 H GLY 17 H GLY 17 6.118 14.324 -22.524
130 HA2 GLY 17 HA2 GLY 17 7.765 15.392 -24.273
131 HA3 GLY 17 HA3 GLY 17 6.248 15.996 -24.923
132 H GLU 18 H GLU 18 5.243 16.088 -22.034
133 HA GLU 18 HA GLU 18 5.603 18.812 -21.594
134 HB2 GLU 18 HB2 GLU 18 4.829 16.599 -19.694
135 HB3 GLU 18 HB3 GLU 18 4.796 18.300 -19.252
136 HG2 GLU 18 HG2 GLU 18 3.236 18.670 -21.178
137 HG3 GLU 18 HG3 GLU 18 3.152 16.918 -21.353
138 H ALA 19 H ALA 19 7.619 16.132 -20.765
139 HA ALA 19 HA ALA 19 9.068 17.137 -18.615
140 HB1 ALA 19 HB1 ALA 19 9.388 14.875 -19.216
141 HB2 ALA 19 HB2 ALA 19 9.874 15.302 -20.858
142 HB3 ALA 19 HB3 ALA 19 10.933 15.677 -19.498
143 H GLY 20 H GLY 20 9.114 18.054 -21.955
144 HA2 GLY 20 HA2 GLY 20 11.321 19.925 -21.356
145 HA3 GLY 20 HA3 GLY 20 11.216 19.082 -22.895
146 H ARG 21 H ARG 21 8.474 19.313 -23.380
147 HA ARG 21 HA ARG 21 8.319 21.792 -24.634
148 HB2 ARG 21 HB2 ARG 21 6.792 19.493 -24.597
149 HB3 ARG 21 HB3 ARG 21 5.713 20.691 -23.895
150 HG2 ARG 21 HG2 ARG 21 5.473 21.812 -25.836
151 HG3 ARG 21 HG3 ARG 21 7.138 21.513 -26.340
152 HD2 ARG 21 HD2 ARG 21 5.087 19.322 -26.274
153 HD3 ARG 21 HD3 ARG 21 5.260 20.386 -27.669
154 HE ARG 21 HE ARG 21 7.735 19.198 -26.846
155 HH11 ARG 21 HH11 ARG 21 4.835 18.721 -28.712
156 HH12 ARG 21 HH12 ARG 21 5.556 17.561 -29.778
157 HH21 ARG 21 HH21 ARG 21 8.695 17.672 -28.243
158 HH22 ARG 21 HH22 ARG 21 7.751 16.964 -29.509
159 H ALA 22 H ALA 22 7.577 20.880 -21.377
160 HA ALA 22 HA ALA 22 5.889 23.074 -20.731
161 HB1 ALA 22 HB1 ALA 22 5.929 21.013 -19.410
162 HB2 ALA 22 HB2 ALA 22 7.580 21.373 -18.902
163 HB3 ALA 22 HB3 ALA 22 6.256 22.431 -18.413
164 H ILE 23 H ILE 23 9.281 22.740 -21.129
165 HA ILE 23 HA ILE 23 10.064 24.918 -19.445
166 HB ILE 23 HB ILE 23 11.563 23.597 -21.711
167 HG12 ILE 23 HG12 ILE 23 12.139 23.191 -18.799
168 HG13 ILE 23 HG13 ILE 23 10.827 22.290 -19.552
169 HG21 ILE 23 HG21 ILE 23 13.517 24.567 -20.237
170 HG22 ILE 23 HG22 ILE 23 12.726 25.550 -21.468
171 HG23 ILE 23 HG23 ILE 23 12.280 25.736 -19.773
172 HD11 ILE 23 HD11 ILE 23 12.801 21.842 -21.326
173 HD12 ILE 23 HD12 ILE 23 13.733 21.997 -19.836
174 HD13 ILE 23 HD13 ILE 23 12.447 20.796 -19.951
175 H ARG 24 H ARG 24 8.821 24.629 -22.640
176 HA ARG 24 HA ARG 24 8.470 26.114 -24.333
177 HB2 ARG 24 HB2 ARG 24 8.138 27.677 -21.823
178 HB3 ARG 24 HB3 ARG 24 8.201 28.575 -23.333
179 HG2 ARG 24 HG2 ARG 24 5.936 28.211 -23.014
180 HG3 ARG 24 HG3 ARG 24 6.397 26.936 -24.144
181 HD2 ARG 24 HD2 ARG 24 6.796 25.575 -21.929
182 HD3 ARG 24 HD3 ARG 24 5.671 26.756 -21.259
183 HE ARG 24 HE ARG 24 4.767 25.496 -23.689
184 HH11 ARG 24 HH11 ARG 24 4.861 25.330 -20.213
185 HH12 ARG 24 HH12 ARG 24 3.453 24.327 -20.093
186 HH21 ARG 24 HH21 ARG 24 2.913 24.177 -23.544
187 HH22 ARG 24 HH22 ARG 24 2.346 23.671 -21.988
188 H ARG 25 H ARG 25 10.832 25.560 -24.810
189 HA ARG 25 HA ARG 25 12.840 27.497 -24.257
190 HB2 ARG 25 HB2 ARG 25 12.617 25.135 -26.082
191 HB3 ARG 25 HB3 ARG 25 13.951 26.262 -26.290
192 HG2 ARG 25 HG2 ARG 25 14.914 25.708 -24.278
193 HG3 ARG 25 HG3 ARG 25 13.392 25.142 -23.585
194 HD2 ARG 25 HD2 ARG 25 13.761 23.056 -24.274
195 HD3 ARG 25 HD3 ARG 25 14.137 23.595 -25.910
196 HE ARG 25 HE ARG 25 16.337 24.168 -24.297
197 HH11 ARG 25 HH11 ARG 25 14.607 21.393 -25.490
198 HH12 ARG 25 HH12 ARG 25 15.998 20.359 -25.482
199 HH21 ARG 25 HH21 ARG 25 18.175 22.817 -24.280
200 HH22 ARG 25 HH22 ARG 25 18.027 21.170 -24.792
Start of MODEL 9
1 H1 GLY 1 H GLY 1 0.830 -0.930 -2.972
2 HA2 GLY 1 HA2 GLY 1 0.893 0.423 -0.577
3 HA3 GLY 1 HA3 GLY 1 2.355 0.921 -1.416
4 H ALA 2 H ALA 2 2.210 2.604 -2.746
5 HA ALA 2 HA ALA 2 0.085 3.132 -4.494
6 HB1 ALA 2 HB1 ALA 2 -0.055 5.252 -2.456
7 HB2 ALA 2 HB2 ALA 2 -1.333 4.521 -3.428
8 HB3 ALA 2 HB3 ALA 2 -0.740 3.696 -1.987
9 H TRP 3 H TRP 3 2.707 4.427 -2.547
10 HA TRP 3 HA TRP 3 3.218 6.772 -3.977
11 HB2 TRP 3 HB2 TRP 3 5.547 6.554 -3.072
12 HB3 TRP 3 HB3 TRP 3 4.283 6.408 -1.853
13 HD1 TRP 3 HD1 TRP 3 4.223 4.220 -0.450
14 HE1 TRP 3 HE1 TRP 3 5.643 2.074 -0.402
15 HE3 TRP 3 HE3 TRP 3 6.913 4.932 -4.739
16 HZ2 TRP 3 HZ2 TRP 3 7.640 0.846 -1.975
17 HZ3 TRP 3 HZ3 TRP 3 8.558 3.225 -5.396
18 HH2 TRP 3 HH2 TRP 3 8.913 1.225 -4.041
19 H LYS 4 H LYS 4 3.837 3.464 -4.762
20 HA LYS 4 HA LYS 4 5.893 3.881 -6.677
21 HB2 LYS 4 HB2 LYS 4 5.264 1.594 -7.471
22 HB3 LYS 4 HB3 LYS 4 5.603 1.688 -5.748
23 HG2 LYS 4 HG2 LYS 4 3.691 0.574 -5.497
24 HG3 LYS 4 HG3 LYS 4 2.906 2.120 -5.827
25 HD2 LYS 4 HD2 LYS 4 1.924 0.451 -7.245
26 HD3 LYS 4 HD3 LYS 4 2.900 1.529 -8.246
27 HE2 LYS 4 HE2 LYS 4 4.637 -0.500 -7.429
28 HE3 LYS 4 HE3 LYS 4 3.131 -1.318 -7.841
29 HZ1 LYS 4 HZ1 LYS 4 3.423 0.414 -9.880
30 HZ2 LYS 4 HZ2 LYS 4 3.910 -1.205 -9.918
31 HZ3 LYS 4 HZ3 LYS 4 5.033 0.007 -9.556
32 H ASN 5 H ASN 5 2.368 3.624 -6.904
33 HA ASN 5 HA ASN 5 2.268 3.806 -9.738
34 HB2 ASN 5 HB2 ASN 5 0.122 4.437 -7.699
35 HB3 ASN 5 HB3 ASN 5 -0.139 4.190 -9.423
36 HD21 ASN 5 HD21 ASN 5 0.014 2.741 -6.400
37 HD22 ASN 5 HD22 ASN 5 -0.018 1.090 -6.906
38 H PHE 6 H PHE 6 2.110 6.161 -7.125
39 HA PHE 6 HA PHE 6 1.393 8.377 -8.749
40 HB2 PHE 6 HB2 PHE 6 0.957 8.633 -6.449
41 HB3 PHE 6 HB3 PHE 6 2.575 8.109 -5.995
42 HD1 PHE 6 HD1 PHE 6 0.831 10.832 -7.843
43 HD2 PHE 6 HD2 PHE 6 4.155 9.692 -5.442
44 HE1 PHE 6 HE1 PHE 6 1.553 13.181 -7.734
45 HE2 PHE 6 HE2 PHE 6 4.882 12.040 -5.328
46 HZ PHE 6 HZ PHE 6 3.581 13.788 -6.475
47 H TRP 7 H TRP 7 4.503 7.290 -7.408
48 HA TRP 7 HA TRP 7 6.141 9.287 -8.378
49 HB2 TRP 7 HB2 TRP 7 6.495 6.508 -7.507
50 HB3 TRP 7 HB3 TRP 7 7.721 7.054 -8.648
51 HD1 TRP 7 HD1 TRP 7 7.185 6.879 -5.084
52 HE1 TRP 7 HE1 TRP 7 8.646 8.572 -3.810
53 HE3 TRP 7 HE3 TRP 7 8.562 9.869 -8.996
54 HZ2 TRP 7 HZ2 TRP 7 10.179 10.871 -4.386
55 HZ3 TRP 7 HZ3 TRP 7 10.026 11.795 -8.549
56 HH2 TRP 7 HH2 TRP 7 10.817 12.284 -6.292
57 H SER 8 H SER 8 5.286 6.232 -10.000
58 HA SER 8 HA SER 8 6.681 6.815 -12.392
59 HB2 SER 8 HB2 SER 8 5.648 4.873 -13.295
60 HB3 SER 8 HB3 SER 8 5.884 4.532 -11.581
61 HG SER 8 HG SER 8 3.822 4.006 -11.828
62 H SER 9 H SER 9 3.452 7.530 -11.257
63 HA SER 9 HA SER 9 2.214 8.175 -13.672
64 HB2 SER 9 HB2 SER 9 1.063 7.976 -11.463
65 HB3 SER 9 HB3 SER 9 1.755 9.532 -11.005
66 HG SER 9 HG SER 9 0.287 10.494 -12.155
67 H LEU 10 H LEU 10 4.692 9.800 -11.947
68 HA LEU 10 HA LEU 10 4.214 12.379 -13.171
69 HB2 LEU 10 HB2 LEU 10 6.605 11.435 -11.600
70 HB3 LEU 10 HB3 LEU 10 6.191 13.103 -11.991
71 HG LEU 10 HG LEU 10 4.130 11.661 -10.477
72 HD11 LEU 10 HD11 LEU 10 5.230 11.300 -8.517
73 HD12 LEU 10 HD12 LEU 10 6.464 12.513 -8.853
74 HD13 LEU 10 HD13 LEU 10 6.536 10.939 -9.645
75 HD21 LEU 10 HD21 LEU 10 3.648 13.730 -9.743
76 HD22 LEU 10 HD22 LEU 10 4.658 14.246 -11.094
77 HD23 LEU 10 HD23 LEU 10 5.341 14.142 -9.471
78 H ARG 11 H ARG 11 6.674 9.821 -13.385
79 HA ARG 11 HA ARG 11 8.150 11.070 -15.464
80 HB2 ARG 11 HB2 ARG 11 9.425 9.081 -15.561
81 HB3 ARG 11 HB3 ARG 11 8.969 9.267 -13.873
82 HG2 ARG 11 HG2 ARG 11 7.214 7.619 -14.134
83 HG3 ARG 11 HG3 ARG 11 7.583 7.471 -15.853
84 HD2 ARG 11 HD2 ARG 11 8.557 5.647 -14.510
85 HD3 ARG 11 HD3 ARG 11 9.780 6.604 -15.346
86 HE ARG 11 HE ARG 11 9.497 7.702 -12.819
87 HH11 ARG 11 HH11 ARG 11 10.472 4.665 -14.215
88 HH12 ARG 11 HH12 ARG 11 11.557 4.271 -12.924
89 HH21 ARG 11 HH21 ARG 11 10.922 7.194 -11.113
90 HH22 ARG 11 HH22 ARG 11 11.812 5.709 -11.159
91 H LYS 12 H LYS 12 5.443 8.850 -15.394
92 HA LYS 12 HA LYS 12 5.547 8.156 -18.159
93 HB2 LYS 12 HB2 LYS 12 3.386 7.930 -16.066
94 HB3 LYS 12 HB3 LYS 12 3.161 7.388 -17.724
95 HG2 LYS 12 HG2 LYS 12 5.409 6.081 -17.199
96 HG3 LYS 12 HG3 LYS 12 4.799 6.224 -15.549
97 HD2 LYS 12 HD2 LYS 12 2.592 5.328 -16.475
98 HD3 LYS 12 HD3 LYS 12 3.515 4.882 -17.912
99 HE2 LYS 12 HE2 LYS 12 4.824 3.347 -16.739
100 HE3 LYS 12 HE3 LYS 12 4.416 4.053 -15.176
101 HZ1 LYS 12 HZ1 LYS 12 2.562 2.835 -15.025
102 HZ2 LYS 12 HZ2 LYS 12 3.273 1.850 -16.201
103 HZ3 LYS 12 HZ3 LYS 12 2.155 3.035 -16.654
104 H GLY 13 H GLY 13 4.227 10.805 -16.352
105 HA2 GLY 13 HA2 GLY 13 2.481 11.669 -18.503
106 HA3 GLY 13 HA3 GLY 13 2.743 12.494 -16.974
107 H PHE 14 H PHE 14 5.664 12.439 -17.268
108 HA PHE 14 HA PHE 14 5.910 14.851 -18.821
109 HB2 PHE 14 HB2 PHE 14 7.787 13.259 -17.094
110 HB3 PHE 14 HB3 PHE 14 8.385 14.570 -18.105
111 HD1 PHE 14 HD1 PHE 14 6.638 16.720 -17.897
112 HD2 PHE 14 HD2 PHE 14 7.575 13.849 -14.899
113 HE1 PHE 14 HE1 PHE 14 6.023 18.344 -16.154
114 HE2 PHE 14 HE2 PHE 14 6.961 15.467 -13.151
115 HZ PHE 14 HZ PHE 14 6.183 17.719 -13.777
116 H TYR 15 H TYR 15 6.760 11.481 -19.171
117 HA TYR 15 HA TYR 15 8.594 11.737 -21.296
118 HB2 TYR 15 HB2 TYR 15 7.271 9.604 -19.886
119 HB3 TYR 15 HB3 TYR 15 7.230 9.289 -21.617
120 HD1 TYR 15 HD1 TYR 15 9.668 10.055 -22.727
121 HD2 TYR 15 HD2 TYR 15 8.993 8.520 -18.816
122 HE1 TYR 15 HE1 TYR 15 11.995 9.263 -22.643
123 HE2 TYR 15 HE2 TYR 15 11.318 7.725 -18.721
124 HH TYR 15 HH TYR 15 13.689 8.752 -20.533
125 H ASP 16 H ASP 16 5.136 11.861 -21.157
126 HA ASP 16 HA ASP 16 4.492 11.206 -23.802
127 HB2 ASP 16 HB2 ASP 16 3.180 12.626 -21.574
128 HB3 ASP 16 HB3 ASP 16 2.606 13.069 -23.180
129 H GLY 17 H GLY 17 5.914 14.057 -22.433
130 HA2 GLY 17 HA2 GLY 17 7.109 15.185 -24.489
131 HA3 GLY 17 HA3 GLY 17 5.446 15.602 -24.873
132 H GLU 18 H GLU 18 5.010 15.722 -21.827
133 HA GLU 18 HA GLU 18 5.218 18.517 -21.581
134 HB2 GLU 18 HB2 GLU 18 4.798 16.366 -19.504
135 HB3 GLU 18 HB3 GLU 18 4.701 18.086 -19.153
136 HG2 GLU 18 HG2 GLU 18 3.000 17.982 -21.206
137 HG3 GLU 18 HG3 GLU 18 2.820 16.334 -20.606
138 H ALA 19 H ALA 19 7.454 15.972 -20.937
139 HA ALA 19 HA ALA 19 9.096 17.073 -18.995
140 HB1 ALA 19 HB1 ALA 19 9.331 14.788 -19.854
141 HB2 ALA 19 HB2 ALA 19 9.957 15.430 -21.373
142 HB3 ALA 19 HB3 ALA 19 10.865 15.659 -19.879
143 H GLY 20 H GLY 20 8.718 17.952 -22.336
144 HA2 GLY 20 HA2 GLY 20 10.820 19.996 -21.973
145 HA3 GLY 20 HA3 GLY 20 10.627 19.126 -23.488
146 H ARG 21 H ARG 21 7.748 19.153 -23.477
147 HA ARG 21 HA ARG 21 7.257 21.506 -24.875
148 HB2 ARG 21 HB2 ARG 21 5.908 19.256 -24.693
149 HB3 ARG 21 HB3 ARG 21 5.025 20.122 -23.443
150 HG2 ARG 21 HG2 ARG 21 4.696 21.956 -25.183
151 HG3 ARG 21 HG3 ARG 21 5.237 20.760 -26.363
152 HD2 ARG 21 HD2 ARG 21 3.218 19.712 -24.554
153 HD3 ARG 21 HD3 ARG 21 2.651 21.118 -25.455
154 HE ARG 21 HE ARG 21 3.949 19.223 -27.143
155 HH11 ARG 21 HH11 ARG 21 0.960 19.926 -25.502
156 HH12 ARG 21 HH12 ARG 21 -0.014 19.023 -26.614
157 HH21 ARG 21 HH21 ARG 21 2.677 18.031 -28.614
158 HH22 ARG 21 HH22 ARG 21 0.963 17.945 -28.383
159 H ALA 22 H ALA 22 6.637 20.716 -21.482
160 HA ALA 22 HA ALA 22 5.245 23.059 -20.802
161 HB1 ALA 22 HB1 ALA 22 5.350 21.000 -19.418
162 HB2 ALA 22 HB2 ALA 22 7.007 21.423 -18.985
163 HB3 ALA 22 HB3 ALA 22 5.675 22.479 -18.514
164 H ILE 23 H ILE 23 8.528 22.560 -21.561
165 HA ILE 23 HA ILE 23 9.455 24.901 -20.099
166 HB ILE 23 HB ILE 23 11.031 23.189 -22.019
167 HG12 ILE 23 HG12 ILE 23 10.852 22.930 -19.010
168 HG13 ILE 23 HG13 ILE 23 10.047 21.858 -20.152
169 HG21 ILE 23 HG21 ILE 23 12.648 24.230 -19.987
170 HG22 ILE 23 HG22 ILE 23 12.608 24.715 -21.682
171 HG23 ILE 23 HG23 ILE 23 11.608 25.558 -20.499
172 HD11 ILE 23 HD11 ILE 23 12.859 22.074 -20.739
173 HD12 ILE 23 HD12 ILE 23 12.583 21.560 -19.074
174 HD13 ILE 23 HD13 ILE 23 11.879 20.645 -20.407
175 H ARG 24 H ARG 24 8.069 24.209 -23.085
176 HA ARG 24 HA ARG 24 7.795 25.372 -25.023
177 HB2 ARG 24 HB2 ARG 24 8.086 27.415 -22.906
178 HB3 ARG 24 HB3 ARG 24 8.295 27.990 -24.554
179 HG2 ARG 24 HG2 ARG 24 6.012 28.289 -23.929
180 HG3 ARG 24 HG3 ARG 24 6.095 26.991 -25.122
181 HD2 ARG 24 HD2 ARG 24 6.382 25.803 -22.577
182 HD3 ARG 24 HD3 ARG 24 5.035 26.936 -22.469
183 HE ARG 24 HE ARG 24 5.144 24.497 -24.014
184 HH11 ARG 24 HH11 ARG 24 3.557 27.556 -23.522
185 HH12 ARG 24 HH12 ARG 24 2.082 27.062 -24.286
186 HH21 ARG 24 HH21 ARG 24 3.208 23.834 -25.022
187 HH22 ARG 24 HH22 ARG 24 1.885 24.944 -25.138
188 H ARG 25 H ARG 25 10.505 24.372 -24.276
189 HA ARG 25 HA ARG 25 12.561 26.073 -24.987
190 HB2 ARG 25 HB2 ARG 25 12.152 23.141 -25.028
191 HB3 ARG 25 HB3 ARG 25 13.468 23.750 -26.022
192 HG2 ARG 25 HG2 ARG 25 13.816 25.078 -23.635
193 HG3 ARG 25 HG3 ARG 25 13.283 23.470 -23.140
194 HD2 ARG 25 HD2 ARG 25 15.422 22.870 -23.391
195 HD3 ARG 25 HD3 ARG 25 15.091 22.913 -25.122
196 HE ARG 25 HE ARG 25 15.771 25.480 -24.489
197 HH11 ARG 25 HH11 ARG 25 17.280 22.365 -24.114
198 HH12 ARG 25 HH12 ARG 25 18.893 22.986 -24.231
199 HH21 ARG 25 HH21 ARG 25 17.890 26.311 -24.644
200 HH22 ARG 25 HH22 ARG 25 19.239 25.231 -24.531
Start of MODEL 10
1 H1 GLY 1 H GLY 1 2.325 -0.571 0.110
2 HA2 GLY 1 HA2 GLY 1 3.162 2.152 -0.031
3 HA3 GLY 1 HA3 GLY 1 3.520 0.894 -1.205
4 H ALA 2 H ALA 2 3.145 3.197 -2.337
5 HA ALA 2 HA ALA 2 0.949 2.854 -4.040
6 HB1 ALA 2 HB1 ALA 2 0.240 4.091 -1.607
7 HB2 ALA 2 HB2 ALA 2 0.211 5.342 -2.851
8 HB3 ALA 2 HB3 ALA 2 -0.751 3.878 -3.050
9 H TRP 3 H TRP 3 3.258 5.075 -2.599
10 HA TRP 3 HA TRP 3 3.287 7.115 -4.457
11 HB2 TRP 3 HB2 TRP 3 5.670 7.445 -3.812
12 HB3 TRP 3 HB3 TRP 3 4.598 7.246 -2.428
13 HD1 TRP 3 HD1 TRP 3 5.000 5.174 -0.859
14 HE1 TRP 3 HE1 TRP 3 6.861 3.402 -0.715
15 HE3 TRP 3 HE3 TRP 3 7.314 6.062 -5.331
16 HZ2 TRP 3 HZ2 TRP 3 9.025 2.501 -2.289
17 HZ3 TRP 3 HZ3 TRP 3 9.273 4.702 -5.936
18 HH2 TRP 3 HH2 TRP 3 10.109 2.959 -4.445
19 H LYS 4 H LYS 4 4.721 3.915 -4.662
20 HA LYS 4 HA LYS 4 6.371 4.278 -6.879
21 HB2 LYS 4 HB2 LYS 4 6.049 1.822 -7.253
22 HB3 LYS 4 HB3 LYS 4 6.517 2.250 -5.612
23 HG2 LYS 4 HG2 LYS 4 4.095 2.116 -4.985
24 HG3 LYS 4 HG3 LYS 4 3.788 1.455 -6.593
25 HD2 LYS 4 HD2 LYS 4 4.008 -0.361 -5.026
26 HD3 LYS 4 HD3 LYS 4 5.407 -0.360 -6.103
27 HE2 LYS 4 HE2 LYS 4 6.849 0.161 -4.441
28 HE3 LYS 4 HE3 LYS 4 5.691 1.207 -3.621
29 HZ1 LYS 4 HZ1 LYS 4 6.353 -1.490 -3.073
30 HZ2 LYS 4 HZ2 LYS 4 4.699 -1.361 -3.401
31 HZ3 LYS 4 HZ3 LYS 4 5.393 -0.426 -2.174
32 H ASN 5 H ASN 5 2.951 3.321 -6.742
33 HA ASN 5 HA ASN 5 2.639 3.129 -9.559
34 HB2 ASN 5 HB2 ASN 5 0.503 3.574 -7.462
35 HB3 ASN 5 HB3 ASN 5 0.254 2.972 -9.099
36 HD21 ASN 5 HD21 ASN 5 1.159 2.206 -5.887
37 HD22 ASN 5 HD22 ASN 5 1.374 0.507 -6.115
38 H PHE 6 H PHE 6 2.153 5.703 -7.210
39 HA PHE 6 HA PHE 6 0.806 7.507 -8.907
40 HB2 PHE 6 HB2 PHE 6 0.720 7.931 -6.570
41 HB3 PHE 6 HB3 PHE 6 2.475 7.901 -6.427
42 HD1 PHE 6 HD1 PHE 6 -0.301 9.807 -7.999
43 HD2 PHE 6 HD2 PHE 6 3.680 9.878 -6.495
44 HE1 PHE 6 HE1 PHE 6 -0.243 12.251 -8.278
45 HE2 PHE 6 HE2 PHE 6 3.744 12.322 -6.770
46 HZ PHE 6 HZ PHE 6 1.781 13.512 -7.661
47 H TRP 7 H TRP 7 4.240 7.378 -7.957
48 HA TRP 7 HA TRP 7 5.190 9.455 -9.504
49 HB2 TRP 7 HB2 TRP 7 6.356 7.019 -8.310
50 HB3 TRP 7 HB3 TRP 7 7.273 7.715 -9.643
51 HD1 TRP 7 HD1 TRP 7 7.061 7.918 -6.032
52 HE1 TRP 7 HE1 TRP 7 8.102 10.097 -5.141
53 HE3 TRP 7 HE3 TRP 7 7.317 10.546 -10.410
54 HZ2 TRP 7 HZ2 TRP 7 8.922 12.599 -6.158
55 HZ3 TRP 7 HZ3 TRP 7 8.242 12.826 -10.365
56 HH2 TRP 7 HH2 TRP 7 9.027 13.829 -8.282
57 H SER 8 H SER 8 5.225 6.005 -10.425
58 HA SER 8 HA SER 8 6.107 6.309 -13.028
59 HB2 SER 8 HB2 SER 8 5.131 4.118 -13.476
60 HB3 SER 8 HB3 SER 8 5.864 4.129 -11.872
61 HG SER 8 HG SER 8 3.656 4.646 -11.118
62 H SER 9 H SER 9 2.845 6.602 -11.731
63 HA SER 9 HA SER 9 1.398 6.672 -14.105
64 HB2 SER 9 HB2 SER 9 0.483 6.634 -11.737
65 HB3 SER 9 HB3 SER 9 0.776 8.372 -11.686
66 HG SER 9 HG SER 9 -1.027 8.608 -12.716
67 H LEU 10 H LEU 10 3.162 9.236 -12.444
68 HA LEU 10 HA LEU 10 2.321 11.264 -14.310
69 HB2 LEU 10 HB2 LEU 10 4.516 11.339 -12.245
70 HB3 LEU 10 HB3 LEU 10 3.837 12.725 -13.096
71 HG LEU 10 HG LEU 10 1.712 11.368 -11.779
72 HD11 LEU 10 HD11 LEU 10 2.370 10.985 -9.655
73 HD12 LEU 10 HD12 LEU 10 3.586 12.262 -9.683
74 HD13 LEU 10 HD13 LEU 10 3.930 10.701 -10.428
75 HD21 LEU 10 HD21 LEU 10 2.862 13.906 -10.747
76 HD22 LEU 10 HD22 LEU 10 1.184 13.473 -11.075
77 HD23 LEU 10 HD23 LEU 10 2.268 13.875 -12.408
78 H ARG 11 H ARG 11 5.166 9.257 -13.788
79 HA ARG 11 HA ARG 11 7.005 10.464 -15.444
80 HB2 ARG 11 HB2 ARG 11 6.623 7.845 -14.291
81 HB3 ARG 11 HB3 ARG 11 7.292 7.709 -15.912
82 HG2 ARG 11 HG2 ARG 11 8.825 9.693 -14.845
83 HG3 ARG 11 HG3 ARG 11 8.523 8.666 -13.441
84 HD2 ARG 11 HD2 ARG 11 9.167 7.118 -15.806
85 HD3 ARG 11 HD3 ARG 11 10.439 8.272 -15.408
86 HE ARG 11 HE ARG 11 9.673 5.937 -13.901
87 HH11 ARG 11 HH11 ARG 11 11.268 9.031 -13.820
88 HH12 ARG 11 HH12 ARG 11 12.245 8.638 -12.445
89 HH21 ARG 11 HH21 ARG 11 10.955 5.408 -12.089
90 HH22 ARG 11 HH22 ARG 11 12.067 6.576 -11.462
91 H LYS 12 H LYS 12 4.545 8.060 -16.355
92 HA LYS 12 HA LYS 12 5.130 7.802 -19.040
93 HB2 LYS 12 HB2 LYS 12 2.380 7.847 -17.783
94 HB3 LYS 12 HB3 LYS 12 2.782 7.157 -19.350
95 HG2 LYS 12 HG2 LYS 12 4.136 5.464 -18.320
96 HG3 LYS 12 HG3 LYS 12 3.928 6.208 -16.733
97 HD2 LYS 12 HD2 LYS 12 1.380 5.871 -17.251
98 HD3 LYS 12 HD3 LYS 12 1.981 4.648 -18.374
99 HE2 LYS 12 HE2 LYS 12 3.156 3.535 -16.557
100 HE3 LYS 12 HE3 LYS 12 2.623 4.781 -15.428
101 HZ1 LYS 12 HZ1 LYS 12 0.598 3.305 -16.952
102 HZ2 LYS 12 HZ2 LYS 12 0.498 3.984 -15.406
103 HZ3 LYS 12 HZ3 LYS 12 1.340 2.535 -15.640
104 H GLY 13 H GLY 13 3.555 10.433 -17.373
105 HA2 GLY 13 HA2 GLY 13 2.598 11.686 -19.792
106 HA3 GLY 13 HA3 GLY 13 2.548 12.365 -18.172
107 H PHE 14 H PHE 14 5.429 11.919 -17.753
108 HA PHE 14 HA PHE 14 6.338 14.383 -18.930
109 HB2 PHE 14 HB2 PHE 14 7.372 12.472 -16.891
110 HB3 PHE 14 HB3 PHE 14 8.536 13.516 -17.699
111 HD1 PHE 14 HD1 PHE 14 5.388 13.563 -15.741
112 HD2 PHE 14 HD2 PHE 14 8.823 15.726 -17.020
113 HE1 PHE 14 HE1 PHE 14 4.804 15.393 -14.203
114 HE2 PHE 14 HE2 PHE 14 8.246 17.559 -15.484
115 HZ PHE 14 HZ PHE 14 6.234 17.394 -14.072
116 H TYR 15 H TYR 15 6.781 10.976 -19.485
117 HA TYR 15 HA TYR 15 9.097 11.237 -21.144
118 HB2 TYR 15 HB2 TYR 15 7.507 9.100 -20.067
119 HB3 TYR 15 HB3 TYR 15 7.742 8.843 -21.792
120 HD1 TYR 15 HD2 TYR 15 10.287 9.358 -22.558
121 HD2 TYR 15 HD1 TYR 15 9.062 8.140 -18.670
122 HE1 TYR 15 HE2 TYR 15 12.547 8.489 -22.125
123 HE2 TYR 15 HE1 TYR 15 11.319 7.269 -18.226
124 HH TYR 15 HH TYR 15 13.284 6.399 -19.720
125 H ASP 16 H ASP 16 5.672 11.445 -21.627
126 HA ASP 16 HA ASP 16 5.520 10.909 -24.374
127 HB2 ASP 16 HB2 ASP 16 3.846 12.581 -22.513
128 HB3 ASP 16 HB3 ASP 16 3.476 12.479 -24.232
129 H GLY 17 H GLY 17 6.681 13.674 -22.634
130 HA2 GLY 17 HA2 GLY 17 8.242 14.877 -24.381
131 HA3 GLY 17 HA3 GLY 17 6.680 15.335 -25.043
132 H GLU 18 H GLU 18 5.680 15.331 -22.137
133 HA GLU 18 HA GLU 18 5.757 18.080 -21.713
134 HB2 GLU 18 HB2 GLU 18 5.230 15.805 -19.803
135 HB3 GLU 18 HB3 GLU 18 5.035 17.494 -19.356
136 HG2 GLU 18 HG2 GLU 18 3.488 17.618 -21.420
137 HG3 GLU 18 HG3 GLU 18 3.450 15.861 -21.290
138 H ALA 19 H ALA 19 8.049 15.629 -20.890
139 HA ALA 19 HA ALA 19 9.404 16.790 -18.759
140 HB1 ALA 19 HB1 ALA 19 11.406 15.532 -19.658
141 HB2 ALA 19 HB2 ALA 19 9.957 14.573 -19.350
142 HB3 ALA 19 HB3 ALA 19 10.374 15.036 -21.000
143 H GLY 20 H GLY 20 9.327 17.689 -22.103
144 HA2 GLY 20 HA2 GLY 20 11.329 19.785 -21.531
145 HA3 GLY 20 HA3 GLY 20 11.303 18.927 -23.064
146 H ARG 21 H ARG 21 8.559 18.864 -23.547
147 HA ARG 21 HA ARG 21 8.131 21.300 -24.812
148 HB2 ARG 21 HB2 ARG 21 6.858 18.861 -24.758
149 HB3 ARG 21 HB3 ARG 21 5.666 19.926 -24.023
150 HG2 ARG 21 HG2 ARG 21 6.703 21.241 -26.307
151 HG3 ARG 21 HG3 ARG 21 6.295 19.587 -26.767
152 HD2 ARG 21 HD2 ARG 21 4.309 20.746 -27.114
153 HD3 ARG 21 HD3 ARG 21 4.082 20.015 -25.526
154 HE ARG 21 HE ARG 21 5.169 22.556 -25.151
155 HH11 ARG 21 HH11 ARG 21 2.243 21.099 -26.350
156 HH12 ARG 21 HH12 ARG 21 1.239 22.438 -25.904
157 HH21 ARG 21 HH21 ARG 21 3.857 24.325 -24.559
158 HH22 ARG 21 HH22 ARG 21 2.158 24.273 -24.887
159 H ALA 22 H ALA 22 7.273 20.250 -21.581
160 HA ALA 22 HA ALA 22 5.568 22.480 -21.016
161 HB1 ALA 22 HB1 ALA 22 6.827 21.050 -18.764
162 HB2 ALA 22 HB2 ALA 22 5.133 21.451 -19.054
163 HB3 ALA 22 HB3 ALA 22 5.863 20.068 -19.869
164 H ILE 23 H ILE 23 8.959 21.948 -21.003
165 HA ILE 23 HA ILE 23 9.721 23.848 -19.049
166 HB ILE 23 HB ILE 23 11.289 22.925 -21.460
167 HG12 ILE 23 HG12 ILE 23 10.600 21.029 -20.096
168 HG13 ILE 23 HG13 ILE 23 12.323 21.319 -19.884
169 HG21 ILE 23 HG21 ILE 23 13.207 23.468 -19.800
170 HG22 ILE 23 HG22 ILE 23 12.437 24.779 -20.692
171 HG23 ILE 23 HG23 ILE 23 12.000 24.481 -19.009
172 HD11 ILE 23 HD11 ILE 23 10.112 22.047 -17.982
173 HD12 ILE 23 HD12 ILE 23 11.358 20.819 -17.761
174 HD13 ILE 23 HD13 ILE 23 11.797 22.527 -17.782
175 H ARG 24 H ARG 24 8.542 24.160 -22.252
176 HA ARG 24 HA ARG 24 8.156 25.947 -23.604
177 HB2 ARG 24 HB2 ARG 24 8.774 27.843 -21.376
178 HB3 ARG 24 HB3 ARG 24 7.513 27.931 -22.599
179 HG2 ARG 24 HG2 ARG 24 7.576 26.157 -20.170
180 HG3 ARG 24 HG3 ARG 24 6.491 27.513 -20.485
181 HD2 ARG 24 HD2 ARG 24 6.535 24.792 -21.734
182 HD3 ARG 24 HD3 ARG 24 5.189 25.652 -20.986
183 HE ARG 24 HE ARG 24 5.968 25.761 -23.714
184 HH11 ARG 24 HH11 ARG 24 4.667 27.696 -21.128
185 HH12 ARG 24 HH12 ARG 24 3.830 28.782 -22.187
186 HH21 ARG 24 HH21 ARG 24 4.869 27.183 -25.118
187 HH22 ARG 24 HH22 ARG 24 3.945 28.489 -24.457
188 H ARG 25 H ARG 25 10.926 24.932 -23.111
189 HA ARG 25 HA ARG 25 12.749 27.089 -23.200
190 HB2 ARG 25 HB2 ARG 25 14.338 25.370 -24.112
191 HB3 ARG 25 HB3 ARG 25 13.569 24.931 -22.593
192 HG2 ARG 25 HG2 ARG 25 12.738 23.082 -23.481
193 HG3 ARG 25 HG3 ARG 25 11.999 23.989 -24.803
194 HD2 ARG 25 HD2 ARG 25 14.933 23.427 -24.844
195 HD3 ARG 25 HD3 ARG 25 13.795 22.161 -25.303
196 HE ARG 25 HE ARG 25 13.304 24.635 -26.656
197 HH11 ARG 25 HH11 ARG 25 15.235 21.738 -26.667
198 HH12 ARG 25 HH12 ARG 25 15.549 21.797 -28.369
199 HH21 ARG 25 HH21 ARG 25 13.711 24.724 -28.898
200 HH22 ARG 25 HH22 ARG 25 14.683 23.497 -29.638
Start of MODEL 11
1 H1 GLY 1 H GLY 1 2.272 0.313 0.512
2 HA2 GLY 1 HA2 GLY 1 3.220 2.333 -0.085
3 HA3 GLY 1 HA3 GLY 1 4.604 1.450 -0.710
4 H ALA 2 H ALA 2 1.205 2.171 -1.468
5 HA ALA 2 HA ALA 2 1.337 1.486 -4.190
6 HB1 ALA 2 HB1 ALA 2 -0.722 1.924 -2.722
7 HB2 ALA 2 HB2 ALA 2 -0.481 3.623 -3.132
8 HB3 ALA 2 HB3 ALA 2 -0.779 2.442 -4.407
9 H TRP 3 H TRP 3 2.655 4.125 -2.498
10 HA TRP 3 HA TRP 3 2.542 6.231 -4.274
11 HB2 TRP 3 HB2 TRP 3 4.844 6.834 -3.329
12 HB3 TRP 3 HB3 TRP 3 3.528 6.651 -2.173
13 HD1 TRP 3 HD1 TRP 3 3.771 4.799 -0.344
14 HE1 TRP 3 HE1 TRP 3 5.651 3.160 0.295
15 HE3 TRP 3 HE3 TRP 3 6.782 5.382 -4.434
16 HZ2 TRP 3 HZ2 TRP 3 8.088 2.238 -0.791
17 HZ3 TRP 3 HZ3 TRP 3 8.870 4.086 -4.557
18 HH2 TRP 3 HH2 TRP 3 9.508 2.548 -2.772
19 H LYS 4 H LYS 4 4.354 3.277 -4.502
20 HA LYS 4 HA LYS 4 6.338 3.979 -6.316
21 HB2 LYS 4 HB2 LYS 4 6.348 1.608 -6.977
22 HB3 LYS 4 HB3 LYS 4 6.276 1.800 -5.230
23 HG2 LYS 4 HG2 LYS 4 3.822 1.427 -5.349
24 HG3 LYS 4 HG3 LYS 4 4.006 1.079 -7.069
25 HD2 LYS 4 HD2 LYS 4 4.528 -1.026 -6.586
26 HD3 LYS 4 HD3 LYS 4 5.920 -0.468 -5.655
27 HE2 LYS 4 HE2 LYS 4 4.842 -0.674 -3.665
28 HE3 LYS 4 HE3 LYS 4 3.269 -0.275 -4.352
29 HZ1 LYS 4 HZ1 LYS 4 4.324 -2.759 -5.324
30 HZ2 LYS 4 HZ2 LYS 4 2.801 -2.414 -4.675
31 HZ3 LYS 4 HZ3 LYS 4 4.100 -2.758 -3.647
32 H ASN 5 H ASN 5 3.000 2.943 -6.931
33 HA ASN 5 HA ASN 5 3.234 3.080 -9.767
34 HB2 ASN 5 HB2 ASN 5 0.726 3.164 -8.075
35 HB3 ASN 5 HB3 ASN 5 0.817 2.779 -9.791
36 HD21 ASN 5 HD21 ASN 5 1.406 1.661 -6.564
37 HD22 ASN 5 HD22 ASN 5 1.669 0.002 -6.967
38 H PHE 6 H PHE 6 2.066 5.285 -7.271
39 HA PHE 6 HA PHE 6 0.975 7.245 -8.955
40 HB2 PHE 6 HB2 PHE 6 0.424 7.407 -6.668
41 HB3 PHE 6 HB3 PHE 6 2.110 7.337 -6.169
42 HD1 PHE 6 HD1 PHE 6 -0.279 9.470 -8.060
43 HD2 PHE 6 HD2 PHE 6 3.243 9.290 -5.677
44 HE1 PHE 6 HE1 PHE 6 -0.204 11.928 -7.992
45 HE2 PHE 6 HE2 PHE 6 3.324 11.748 -5.605
46 HZ PHE 6 HZ PHE 6 1.598 13.071 -6.762
47 H TRP 7 H TRP 7 4.222 6.989 -7.527
48 HA TRP 7 HA TRP 7 5.333 9.325 -8.482
49 HB2 TRP 7 HB2 TRP 7 6.354 6.715 -7.598
50 HB3 TRP 7 HB3 TRP 7 7.432 7.576 -8.693
51 HD1 TRP 7 HD1 TRP 7 6.789 7.241 -5.142
52 HE1 TRP 7 HE1 TRP 7 7.745 9.228 -3.814
53 HE3 TRP 7 HE3 TRP 7 7.609 10.485 -9.008
54 HZ2 TRP 7 HZ2 TRP 7 8.717 11.826 -4.335
55 HZ3 TRP 7 HZ3 TRP 7 8.554 12.701 -8.508
56 HH2 TRP 7 HH2 TRP 7 9.095 13.356 -6.219
57 H SER 8 H SER 8 5.343 6.144 -10.089
58 HA SER 8 HA SER 8 6.579 7.068 -12.461
59 HB2 SER 8 HB2 SER 8 6.089 4.915 -13.376
60 HB3 SER 8 HB3 SER 8 6.441 4.665 -11.666
61 HG SER 8 HG SER 8 4.319 3.876 -12.926
62 H SER 9 H SER 9 3.271 6.957 -11.369
63 HA SER 9 HA SER 9 1.953 7.219 -13.829
64 HB2 SER 9 HB2 SER 9 0.973 6.777 -11.477
65 HB3 SER 9 HB3 SER 9 0.966 8.532 -11.305
66 HG SER 9 HG SER 9 -0.603 6.892 -12.898
67 H LEU 10 H LEU 10 3.895 9.427 -12.090
68 HA LEU 10 HA LEU 10 2.744 11.814 -13.230
69 HB2 LEU 10 HB2 LEU 10 5.337 11.405 -11.748
70 HB3 LEU 10 HB3 LEU 10 4.627 12.963 -12.165
71 HG LEU 10 HG LEU 10 2.898 11.193 -10.574
72 HD11 LEU 10 HD11 LEU 10 4.093 11.069 -8.660
73 HD12 LEU 10 HD12 LEU 10 4.974 12.562 -8.980
74 HD13 LEU 10 HD13 LEU 10 5.451 11.067 -9.786
75 HD21 LEU 10 HD21 LEU 10 3.695 13.988 -9.895
76 HD22 LEU 10 HD22 LEU 10 2.144 13.176 -9.681
77 HD23 LEU 10 HD23 LEU 10 2.654 13.693 -11.288
78 H ARG 11 H ARG 11 5.801 10.028 -13.617
79 HA ARG 11 HA ARG 11 6.878 11.614 -15.651
80 HB2 ARG 11 HB2 ARG 11 8.364 9.755 -16.111
81 HB3 ARG 11 HB3 ARG 11 8.155 9.927 -14.373
82 HG2 ARG 11 HG2 ARG 11 6.911 7.992 -14.195
83 HG3 ARG 11 HG3 ARG 11 6.439 8.017 -15.895
84 HD2 ARG 11 HD2 ARG 11 8.028 6.452 -16.138
85 HD3 ARG 11 HD3 ARG 11 9.143 7.818 -16.089
86 HE ARG 11 HE ARG 11 8.549 6.830 -13.481
87 HH11 ARG 11 HH11 ARG 11 10.474 6.254 -16.325
88 HH12 ARG 11 HH12 ARG 11 11.724 5.415 -15.468
89 HH21 ARG 11 HH21 ARG 11 10.188 5.726 -12.342
90 HH22 ARG 11 HH22 ARG 11 11.560 5.114 -13.202
91 H LYS 12 H LYS 12 4.321 9.324 -15.712
92 HA LYS 12 HA LYS 12 4.363 8.348 -18.292
93 HB2 LYS 12 HB2 LYS 12 2.065 9.129 -16.509
94 HB3 LYS 12 HB3 LYS 12 1.810 8.400 -18.089
95 HG2 LYS 12 HG2 LYS 12 3.402 6.552 -17.217
96 HG3 LYS 12 HG3 LYS 12 3.005 7.205 -15.626
97 HD2 LYS 12 HD2 LYS 12 0.537 7.013 -16.575
98 HD3 LYS 12 HD3 LYS 12 1.284 5.773 -17.584
99 HE2 LYS 12 HE2 LYS 12 2.140 5.502 -14.850
100 HE3 LYS 12 HE3 LYS 12 0.380 5.517 -14.944
101 HZ1 LYS 12 HZ1 LYS 12 1.945 3.358 -15.372
102 HZ2 LYS 12 HZ2 LYS 12 1.630 3.878 -16.951
103 HZ3 LYS 12 HZ3 LYS 12 0.348 3.520 -15.906
104 H GLY 13 H GLY 13 3.481 11.542 -17.154
105 HA2 GLY 13 HA2 GLY 13 2.567 12.328 -19.818
106 HA3 GLY 13 HA3 GLY 13 2.470 13.301 -18.357
107 H PHE 14 H PHE 14 5.281 12.798 -17.659
108 HA PHE 14 HA PHE 14 6.423 15.001 -19.038
109 HB2 PHE 14 HB2 PHE 14 7.509 12.993 -17.075
110 HB3 PHE 14 HB3 PHE 14 8.544 14.213 -17.809
111 HD1 PHE 14 HD2 PHE 14 7.061 16.621 -17.822
112 HD2 PHE 14 HD1 PHE 14 7.048 13.528 -14.898
113 HE1 PHE 14 HE2 PHE 14 6.360 18.245 -16.113
114 HE2 PHE 14 HE1 PHE 14 6.345 15.147 -13.184
115 HZ PHE 14 HZ PHE 14 6.001 17.509 -13.790
116 H TYR 15 H TYR 15 6.747 11.511 -19.319
117 HA TYR 15 HA TYR 15 8.961 11.523 -21.087
118 HB2 TYR 15 HB2 TYR 15 7.258 9.574 -19.862
119 HB3 TYR 15 HB3 TYR 15 7.374 9.223 -21.583
120 HD1 TYR 15 HD2 TYR 15 10.028 9.782 -22.368
121 HD2 TYR 15 HD1 TYR 15 8.680 8.241 -18.639
122 HE1 TYR 15 HE2 TYR 15 12.227 8.740 -22.011
123 HE2 TYR 15 HE1 TYR 15 10.876 7.195 -18.271
124 HH TYR 15 HH TYR 15 13.530 7.981 -19.589
125 H ASP 16 H ASP 16 5.556 11.987 -21.521
126 HA ASP 16 HA ASP 16 5.314 11.342 -24.242
127 HB2 ASP 16 HB2 ASP 16 3.801 13.313 -22.523
128 HB3 ASP 16 HB3 ASP 16 3.349 12.928 -24.181
129 H GLY 17 H GLY 17 6.698 14.086 -22.636
130 HA2 GLY 17 HA2 GLY 17 8.317 15.111 -24.429
131 HA3 GLY 17 HA3 GLY 17 6.789 15.626 -25.126
132 H GLU 18 H GLU 18 5.779 15.836 -22.231
133 HA GLU 18 HA GLU 18 6.054 18.601 -21.957
134 HB2 GLU 18 HB2 GLU 18 5.348 16.529 -19.871
135 HB3 GLU 18 HB3 GLU 18 5.145 18.263 -19.664
136 HG2 GLU 18 HG2 GLU 18 3.662 18.203 -21.708
137 HG3 GLU 18 HG3 GLU 18 3.706 16.446 -21.571
138 H ALA 19 H ALA 19 8.075 15.999 -20.875
139 HA ALA 19 HA ALA 19 9.471 17.210 -18.793
140 HB1 ALA 19 HB1 ALA 19 10.557 15.274 -20.835
141 HB2 ALA 19 HB2 ALA 19 11.245 15.614 -19.247
142 HB3 ALA 19 HB3 ALA 19 9.669 14.835 -19.376
143 H GLY 20 H GLY 20 9.584 17.805 -22.199
144 HA2 GLY 20 HA2 GLY 20 11.865 19.636 -21.766
145 HA3 GLY 20 HA3 GLY 20 11.632 18.742 -23.262
146 H ARG 21 H ARG 21 8.690 19.196 -23.130
147 HA ARG 21 HA ARG 21 8.672 21.665 -24.585
148 HB2 ARG 21 HB2 ARG 21 7.124 19.406 -24.627
149 HB3 ARG 21 HB3 ARG 21 6.073 20.545 -23.798
150 HG2 ARG 21 HG2 ARG 21 6.286 22.107 -25.660
151 HG3 ARG 21 HG3 ARG 21 7.350 20.971 -26.491
152 HD2 ARG 21 HD2 ARG 21 5.279 20.566 -27.463
153 HD3 ARG 21 HD3 ARG 21 5.401 19.304 -26.238
154 HE ARG 21 HE ARG 21 4.081 21.674 -25.303
155 HH11 ARG 21 HH11 ARG 21 3.669 18.661 -26.996
156 HH12 ARG 21 HH12 ARG 21 1.980 18.536 -26.632
157 HH21 ARG 21 HH21 ARG 21 1.858 21.522 -24.817
158 HH22 ARG 21 HH22 ARG 21 0.951 20.165 -25.393
159 H ALA 22 H ALA 22 8.008 20.701 -21.333
160 HA ALA 22 HA ALA 22 6.274 22.723 -20.502
161 HB1 ALA 22 HB1 ALA 22 6.600 20.952 -19.007
162 HB2 ALA 22 HB2 ALA 22 8.355 21.121 -19.049
163 HB3 ALA 22 HB3 ALA 22 7.372 22.333 -18.228
164 H ILE 23 H ILE 23 9.613 22.847 -21.337
165 HA ILE 23 HA ILE 23 10.215 25.255 -19.890
166 HB ILE 23 HB ILE 23 11.717 23.990 -22.185
167 HG12 ILE 23 HG12 ILE 23 13.039 23.662 -19.693
168 HG13 ILE 23 HG13 ILE 23 11.369 23.152 -19.469
169 HG21 ILE 23 HG21 ILE 23 12.246 26.305 -20.402
170 HG22 ILE 23 HG22 ILE 23 13.606 25.281 -20.856
171 HG23 ILE 23 HG23 ILE 23 12.644 26.072 -22.104
172 HD11 ILE 23 HD11 ILE 23 12.612 22.141 -21.913
173 HD12 ILE 23 HD12 ILE 23 13.368 21.585 -20.420
174 HD13 ILE 23 HD13 ILE 23 11.648 21.308 -20.694
175 H ARG 24 H ARG 24 8.706 24.503 -22.869
176 HA ARG 24 HA ARG 24 7.988 25.750 -24.636
177 HB2 ARG 24 HB2 ARG 24 7.760 27.528 -22.263
178 HB3 ARG 24 HB3 ARG 24 7.550 28.265 -23.846
179 HG2 ARG 24 HG2 ARG 24 5.393 27.699 -23.198
180 HG3 ARG 24 HG3 ARG 24 5.863 26.390 -24.284
181 HD2 ARG 24 HD2 ARG 24 6.694 25.317 -22.001
182 HD3 ARG 24 HD3 ARG 24 5.445 26.374 -21.344
183 HE ARG 24 HE ARG 24 4.572 24.767 -23.566
184 HH11 ARG 24 HH11 ARG 24 4.987 24.916 -20.113
185 HH12 ARG 24 HH12 ARG 24 3.781 23.716 -19.785
186 HH21 ARG 24 HH21 ARG 24 2.982 23.185 -23.147
187 HH22 ARG 24 HH22 ARG 24 2.642 22.731 -21.511
188 H ARG 25 H ARG 25 10.314 25.405 -25.373
189 HA ARG 25 HA ARG 25 12.106 27.628 -25.272
190 HB2 ARG 25 HB2 ARG 25 12.043 25.018 -26.741
191 HB3 ARG 25 HB3 ARG 25 13.193 26.258 -27.223
192 HG2 ARG 25 HG2 ARG 25 13.613 26.219 -24.560
193 HG3 ARG 25 HG3 ARG 25 13.149 24.540 -24.841
194 HD2 ARG 25 HD2 ARG 25 15.275 26.000 -26.401
195 HD3 ARG 25 HD3 ARG 25 15.601 24.972 -25.006
196 HE ARG 25 HE ARG 25 14.093 23.540 -26.905
197 HH11 ARG 25 HH11 ARG 25 17.287 24.829 -26.399
198 HH12 ARG 25 HH12 ARG 25 18.065 23.638 -27.388
199 HH21 ARG 25 HH21 ARG 25 15.106 21.966 -28.209
200 HH22 ARG 25 HH22 ARG 25 16.824 22.010 -28.417
Start of MODEL 12
1 H1 GLY 1 H GLY 1 4.311 1.361 -1.414
2 HA2 GLY 1 HA2 GLY 1 2.566 2.416 0.694
3 HA3 GLY 1 HA3 GLY 1 3.807 3.316 -0.165
4 H ALA 2 H ALA 2 3.314 4.343 -2.070
5 HA ALA 2 HA ALA 2 1.043 3.889 -3.645
6 HB1 ALA 2 HB1 ALA 2 -0.252 5.959 -3.004
7 HB2 ALA 2 HB2 ALA 2 -0.331 4.617 -1.863
8 HB3 ALA 2 HB3 ALA 2 0.712 5.999 -1.527
9 H TRP 3 H TRP 3 3.381 6.208 -2.422
10 HA TRP 3 HA TRP 3 3.254 8.078 -4.510
11 HB2 TRP 3 HB2 TRP 3 5.587 8.679 -3.796
12 HB3 TRP 3 HB3 TRP 3 4.409 8.647 -2.486
13 HD1 TRP 3 HD1 TRP 3 4.840 6.990 -0.513
14 HE1 TRP 3 HE1 TRP 3 6.749 5.365 0.069
15 HE3 TRP 3 HE3 TRP 3 7.345 7.052 -4.969
16 HZ2 TRP 3 HZ2 TRP 3 9.016 4.256 -1.194
17 HZ3 TRP 3 HZ3 TRP 3 9.375 5.681 -5.199
18 HH2 TRP 3 HH2 TRP 3 10.192 4.313 -3.349
19 H LYS 4 H LYS 4 4.770 4.956 -4.286
20 HA LYS 4 HA LYS 4 6.595 5.212 -6.424
21 HB2 LYS 4 HB2 LYS 4 6.535 2.715 -6.459
22 HB3 LYS 4 HB3 LYS 4 6.844 3.399 -4.869
23 HG2 LYS 4 HG2 LYS 4 5.260 2.001 -4.165
24 HG3 LYS 4 HG3 LYS 4 4.125 3.158 -4.865
25 HD2 LYS 4 HD2 LYS 4 3.564 0.966 -5.664
26 HD3 LYS 4 HD3 LYS 4 4.250 1.887 -7.004
27 HE2 LYS 4 HE2 LYS 4 6.012 0.512 -7.196
28 HE3 LYS 4 HE3 LYS 4 6.229 0.394 -5.451
29 HZ1 LYS 4 HZ1 LYS 4 5.513 -1.689 -5.753
30 HZ2 LYS 4 HZ2 LYS 4 4.807 -1.357 -7.253
31 HZ3 LYS 4 HZ3 LYS 4 3.968 -1.003 -5.827
32 H ASN 5 H ASN 5 3.231 4.116 -6.282
33 HA ASN 5 HA ASN 5 3.065 3.391 -9.024
34 HB2 ASN 5 HB2 ASN 5 0.848 4.133 -7.101
35 HB3 ASN 5 HB3 ASN 5 0.640 3.311 -8.645
36 HD21 ASN 5 HD21 ASN 5 1.205 2.954 -5.344
37 HD22 ASN 5 HD22 ASN 5 1.537 1.259 -5.329
38 H PHE 6 H PHE 6 2.434 6.348 -7.232
39 HA PHE 6 HA PHE 6 1.205 7.734 -9.401
40 HB2 PHE 6 HB2 PHE 6 0.678 8.565 -7.260
41 HB3 PHE 6 HB3 PHE 6 2.366 8.598 -6.762
42 HD1 PHE 6 HD2 PHE 6 0.168 10.097 -9.380
43 HD2 PHE 6 HD1 PHE 6 3.396 10.641 -6.659
44 HE1 PHE 6 HE2 PHE 6 0.305 12.468 -10.022
45 HE2 PHE 6 HE1 PHE 6 3.537 13.013 -7.296
46 HZ PHE 6 HZ PHE 6 1.991 13.929 -8.980
47 H TRP 7 H TRP 7 4.451 7.876 -7.950
48 HA TRP 7 HA TRP 7 5.590 9.791 -9.574
49 HB2 TRP 7 HB2 TRP 7 6.570 7.598 -7.894
50 HB3 TRP 7 HB3 TRP 7 7.660 8.010 -9.216
51 HD1 TRP 7 HD1 TRP 7 7.119 8.873 -5.758
52 HE1 TRP 7 HE1 TRP 7 8.115 11.174 -5.174
53 HE3 TRP 7 HE3 TRP 7 7.811 10.682 -10.489
54 HZ2 TRP 7 HZ2 TRP 7 9.066 13.454 -6.539
55 HZ3 TRP 7 HZ3 TRP 7 8.769 12.932 -10.763
56 HH2 TRP 7 HH2 TRP 7 9.382 14.288 -8.828
57 H SER 8 H SER 8 5.431 6.284 -10.141
58 HA SER 8 HA SER 8 6.765 6.352 -12.635
59 HB2 SER 8 HB2 SER 8 6.773 4.181 -12.013
60 HB3 SER 8 HB3 SER 8 5.326 4.368 -11.023
61 HG SER 8 HG SER 8 4.636 3.110 -12.635
62 H SER 9 H SER 9 3.433 6.785 -11.683
63 HA SER 9 HA SER 9 2.277 6.478 -14.255
64 HB2 SER 9 HB2 SER 9 1.101 6.442 -11.969
65 HB3 SER 9 HB3 SER 9 1.130 8.203 -12.064
66 HG SER 9 HG SER 9 -0.596 6.539 -13.184
67 H LEU 10 H LEU 10 4.187 8.920 -12.889
68 HA LEU 10 HA LEU 10 3.113 11.076 -14.498
69 HB2 LEU 10 HB2 LEU 10 5.584 10.948 -12.775
70 HB3 LEU 10 HB3 LEU 10 4.937 12.402 -13.532
71 HG LEU 10 HG LEU 10 3.242 10.846 -11.622
72 HD11 LEU 10 HD11 LEU 10 5.730 11.645 -10.851
73 HD12 LEU 10 HD12 LEU 10 4.339 11.482 -9.779
74 HD13 LEU 10 HD13 LEU 10 4.754 13.059 -10.450
75 HD21 LEU 10 HD21 LEU 10 3.271 13.768 -11.588
76 HD22 LEU 10 HD22 LEU 10 1.914 12.646 -11.691
77 HD23 LEU 10 HD23 LEU 10 2.815 13.076 -13.146
78 H ARG 11 H ARG 11 6.132 9.201 -14.347
79 HA ARG 11 HA ARG 11 7.507 10.368 -16.432
80 HB2 ARG 11 HB2 ARG 11 8.931 8.570 -16.335
81 HB3 ARG 11 HB3 ARG 11 8.106 8.385 -14.793
82 HG2 ARG 11 HG2 ARG 11 6.520 6.813 -15.997
83 HG3 ARG 11 HG3 ARG 11 7.677 6.840 -17.329
84 HD2 ARG 11 HD2 ARG 11 9.097 5.484 -16.259
85 HD3 ARG 11 HD3 ARG 11 8.930 6.369 -14.744
86 HE ARG 11 HE ARG 11 7.341 4.856 -14.063
87 HH11 ARG 11 HH11 ARG 11 7.972 4.440 -17.461
88 HH12 ARG 11 HH12 ARG 11 7.071 2.965 -17.581
89 HH21 ARG 11 HH21 ARG 11 6.152 2.914 -14.208
90 HH22 ARG 11 HH22 ARG 11 6.036 2.098 -15.731
91 H LYS 12 H LYS 12 4.813 8.155 -16.540
92 HA LYS 12 HA LYS 12 4.996 7.238 -19.162
93 HB2 LYS 12 HB2 LYS 12 2.519 7.869 -17.547
94 HB3 LYS 12 HB3 LYS 12 2.539 6.921 -19.028
95 HG2 LYS 12 HG2 LYS 12 4.009 5.279 -17.921
96 HG3 LYS 12 HG3 LYS 12 3.884 6.213 -16.428
97 HD2 LYS 12 HD2 LYS 12 1.312 5.938 -16.824
98 HD3 LYS 12 HD3 LYS 12 1.813 4.576 -17.829
99 HE2 LYS 12 HE2 LYS 12 2.597 3.375 -16.047
100 HE3 LYS 12 HE3 LYS 12 2.985 4.815 -15.107
101 HZ1 LYS 12 HZ1 LYS 12 0.391 3.461 -15.433
102 HZ2 LYS 12 HZ2 LYS 12 0.437 5.105 -15.040
103 HZ3 LYS 12 HZ3 LYS 12 1.159 3.970 -14.014
104 H GLY 13 H GLY 13 3.885 10.311 -17.899
105 HA2 GLY 13 HA2 GLY 13 3.031 11.152 -20.577
106 HA3 GLY 13 HA3 GLY 13 2.709 12.009 -19.077
107 H PHE 14 H PHE 14 5.558 11.665 -18.242
108 HA PHE 14 HA PHE 14 6.530 14.109 -19.339
109 HB2 PHE 14 HB2 PHE 14 7.401 12.174 -17.284
110 HB3 PHE 14 HB3 PHE 14 8.696 13.074 -18.068
111 HD1 PHE 14 HD1 PHE 14 5.253 13.941 -16.911
112 HD2 PHE 14 HD2 PHE 14 9.417 14.812 -16.766
113 HE1 PHE 14 HE1 PHE 14 4.797 15.863 -15.444
114 HE2 PHE 14 HE2 PHE 14 8.967 16.735 -15.299
115 HZ PHE 14 HZ PHE 14 6.655 17.262 -14.635
116 H TYR 15 H TYR 15 7.079 10.727 -19.997
117 HA TYR 15 HA TYR 15 9.457 11.044 -21.518
118 HB2 TYR 15 HB2 TYR 15 8.020 8.899 -20.541
119 HB3 TYR 15 HB3 TYR 15 7.774 8.774 -22.279
120 HD1 TYR 15 HD2 TYR 15 9.955 8.983 -23.733
121 HD2 TYR 15 HD1 TYR 15 9.911 7.944 -19.607
122 HE1 TYR 15 HE2 TYR 15 12.170 7.943 -23.977
123 HE2 TYR 15 HE1 TYR 15 12.127 6.903 -19.839
124 HH TYR 15 HH TYR 15 13.717 6.650 -22.987
125 H ASP 16 H ASP 16 6.068 11.348 -22.230
126 HA ASP 16 HA ASP 16 6.159 11.080 -25.028
127 HB2 ASP 16 HB2 ASP 16 4.289 12.619 -23.223
128 HB3 ASP 16 HB3 ASP 16 4.047 12.474 -24.962
129 H GLY 17 H GLY 17 7.078 13.671 -22.910
130 HA2 GLY 17 HA2 GLY 17 8.757 15.093 -24.330
131 HA3 GLY 17 HA3 GLY 17 7.272 15.554 -25.148
132 H GLU 18 H GLU 18 5.913 15.260 -22.409
133 HA GLU 18 HA GLU 18 5.802 17.957 -21.750
134 HB2 GLU 18 HB2 GLU 18 5.188 15.517 -20.080
135 HB3 GLU 18 HB3 GLU 18 4.815 17.159 -19.573
136 HG2 GLU 18 HG2 GLU 18 3.817 16.573 -22.232
137 HG3 GLU 18 HG3 GLU 18 3.179 15.473 -21.012
138 H ALA 19 H ALA 19 8.068 15.512 -20.795
139 HA ALA 19 HA ALA 19 9.105 16.603 -18.453
140 HB1 ALA 19 HB1 ALA 19 10.291 14.888 -20.603
141 HB2 ALA 19 HB2 ALA 19 11.271 15.450 -19.247
142 HB3 ALA 19 HB3 ALA 19 9.843 14.457 -18.952
143 H GLY 20 H GLY 20 9.416 17.655 -21.732
144 HA2 GLY 20 HA2 GLY 20 11.378 19.686 -20.856
145 HA3 GLY 20 HA3 GLY 20 11.398 18.976 -22.464
146 H ARG 21 H ARG 21 8.422 19.031 -22.580
147 HA ARG 21 HA ARG 21 8.183 21.649 -23.721
148 HB2 ARG 21 HB2 ARG 21 6.926 19.201 -24.098
149 HB3 ARG 21 HB3 ARG 21 5.675 20.209 -23.383
150 HG2 ARG 21 HG2 ARG 21 6.518 21.930 -25.199
151 HG3 ARG 21 HG3 ARG 21 7.043 20.450 -26.004
152 HD2 ARG 21 HD2 ARG 21 4.894 20.773 -26.830
153 HD3 ARG 21 HD3 ARG 21 4.657 19.605 -25.532
154 HE ARG 21 HE ARG 21 4.338 22.234 -24.548
155 HH11 ARG 21 HH11 ARG 21 2.748 19.844 -26.517
156 HH12 ARG 21 HH12 ARG 21 1.155 20.429 -26.171
157 HH21 ARG 21 HH21 ARG 21 2.245 23.014 -24.084
158 HH22 ARG 21 HH22 ARG 21 0.870 22.233 -24.788
159 H ALA 22 H ALA 22 7.441 20.211 -20.679
160 HA ALA 22 HA ALA 22 5.365 21.880 -19.800
161 HB1 ALA 22 HB1 ALA 22 5.799 19.938 -18.540
162 HB2 ALA 22 HB2 ALA 22 7.496 20.365 -18.316
163 HB3 ALA 22 HB3 ALA 22 6.238 21.288 -17.494
164 H ILE 23 H ILE 23 8.672 22.537 -20.358
165 HA ILE 23 HA ILE 23 8.650 24.906 -18.640
166 HB ILE 23 HB ILE 23 10.958 23.984 -20.337
167 HG12 ILE 23 HG12 ILE 23 11.536 23.154 -17.777
168 HG13 ILE 23 HG13 ILE 23 9.826 22.762 -17.922
169 HG21 ILE 23 HG21 ILE 23 11.605 25.153 -17.793
170 HG22 ILE 23 HG22 ILE 23 12.048 25.684 -19.415
171 HG23 ILE 23 HG23 ILE 23 10.525 26.212 -18.700
172 HD11 ILE 23 HD11 ILE 23 11.705 21.958 -20.089
173 HD12 ILE 23 HD12 ILE 23 11.633 21.024 -18.594
174 HD13 ILE 23 HD13 ILE 23 10.186 21.220 -19.583
175 H ARG 24 H ARG 24 7.607 24.180 -21.628
176 HA ARG 24 HA ARG 24 7.229 25.328 -23.560
177 HB2 ARG 24 HB2 ARG 24 7.196 27.409 -21.420
178 HB3 ARG 24 HB3 ARG 24 7.130 27.933 -23.097
179 HG2 ARG 24 HG2 ARG 24 4.903 27.741 -22.162
180 HG3 ARG 24 HG3 ARG 24 5.142 26.559 -23.451
181 HD2 ARG 24 HD2 ARG 24 3.978 25.729 -21.358
182 HD3 ARG 24 HD3 ARG 24 5.355 24.782 -21.919
183 HE ARG 24 HE ARG 24 6.457 25.307 -19.985
184 HH11 ARG 24 HH11 ARG 24 3.771 27.485 -20.390
185 HH12 ARG 24 HH12 ARG 24 3.948 28.203 -18.824
186 HH21 ARG 24 HH21 ARG 24 6.700 26.244 -17.920
187 HH22 ARG 24 HH22 ARG 24 5.615 27.497 -17.420
188 H ARG 25 H ARG 25 9.562 24.512 -23.957
189 HA ARG 25 HA ARG 25 11.728 26.304 -23.904
190 HB2 ARG 25 HB2 ARG 25 11.186 23.874 -25.611
191 HB3 ARG 25 HB3 ARG 25 12.708 24.754 -25.643
192 HG2 ARG 25 HG2 ARG 25 12.763 24.340 -23.108
193 HG3 ARG 25 HG3 ARG 25 11.527 23.123 -23.431
194 HD2 ARG 25 HD2 ARG 25 13.096 21.686 -24.060
195 HD3 ARG 25 HD3 ARG 25 13.607 22.793 -25.334
196 HE ARG 25 HE ARG 25 14.770 23.739 -23.032
197 HH11 ARG 25 HH11 ARG 25 14.819 20.758 -24.830
198 HH12 ARG 25 HH12 ARG 25 16.434 20.347 -24.355
199 HH21 ARG 25 HH21 ARG 25 16.896 23.208 -22.400
200 HH22 ARG 25 HH22 ARG 25 17.614 21.740 -22.973
Start of MODEL 13
1 H1 GLY 1 H GLY 1 2.342 -0.280 -2.958
2 HA2 GLY 1 HA2 GLY 1 2.643 0.806 -0.770
3 HA3 GLY 1 HA3 GLY 1 3.999 1.671 -1.480
4 H ALA 2 H ALA 2 3.611 3.405 -2.883
5 HA ALA 2 HA ALA 2 1.067 4.204 -3.779
6 HB1 ALA 2 HB1 ALA 2 0.155 5.129 -1.981
7 HB2 ALA 2 HB2 ALA 2 1.611 4.825 -1.033
8 HB3 ALA 2 HB3 ALA 2 1.464 6.312 -1.970
9 H TRP 3 H TRP 3 4.288 5.177 -2.753
10 HA TRP 3 HA TRP 3 4.435 7.583 -4.216
11 HB2 TRP 3 HB2 TRP 3 6.836 7.451 -3.867
12 HB3 TRP 3 HB3 TRP 3 5.999 6.967 -2.394
13 HD1 TRP 3 HD1 TRP 3 6.325 4.485 -1.559
14 HE1 TRP 3 HE1 TRP 3 7.925 2.593 -2.254
15 HE3 TRP 3 HE3 TRP 3 8.032 6.443 -5.962
16 HZ2 TRP 3 HZ2 TRP 3 9.680 2.008 -4.387
17 HZ3 TRP 3 HZ3 TRP 3 9.670 5.154 -7.269
18 HH2 TRP 3 HH2 TRP 3 10.476 2.983 -6.496
19 H LYS 4 H LYS 4 5.085 4.236 -5.066
20 HA LYS 4 HA LYS 4 6.318 4.789 -7.570
21 HB2 LYS 4 HB2 LYS 4 5.836 2.370 -8.035
22 HB3 LYS 4 HB3 LYS 4 6.732 2.665 -6.551
23 HG2 LYS 4 HG2 LYS 4 5.239 1.393 -5.521
24 HG3 LYS 4 HG3 LYS 4 4.075 2.698 -5.760
25 HD2 LYS 4 HD2 LYS 4 3.106 1.675 -7.590
26 HD3 LYS 4 HD3 LYS 4 4.551 0.731 -7.957
27 HE2 LYS 4 HE2 LYS 4 3.279 0.179 -5.355
28 HE3 LYS 4 HE3 LYS 4 2.343 -0.279 -6.777
29 HZ1 LYS 4 HZ1 LYS 4 4.128 -1.641 -7.538
30 HZ2 LYS 4 HZ2 LYS 4 3.820 -2.054 -5.927
31 HZ3 LYS 4 HZ3 LYS 4 5.159 -1.094 -6.313
32 H ASN 5 H ASN 5 3.006 4.084 -6.564
33 HA ASN 5 HA ASN 5 1.934 3.939 -9.191
34 HB2 ASN 5 HB2 ASN 5 0.453 4.630 -6.647
35 HB3 ASN 5 HB3 ASN 5 -0.231 3.968 -8.129
36 HD21 ASN 5 HD21 ASN 5 1.776 3.297 -5.350
37 HD22 ASN 5 HD22 ASN 5 1.656 1.576 -5.437
38 H PHE 6 H PHE 6 2.716 6.543 -7.055
39 HA PHE 6 HA PHE 6 1.090 8.478 -8.472
40 HB2 PHE 6 HB2 PHE 6 1.256 8.955 -6.177
41 HB3 PHE 6 HB3 PHE 6 2.986 8.629 -6.142
42 HD1 PHE 6 HD2 PHE 6 0.547 10.955 -7.736
43 HD2 PHE 6 HD1 PHE 6 4.434 10.410 -6.090
44 HE1 PHE 6 HE2 PHE 6 1.000 13.357 -8.018
45 HE2 PHE 6 HE1 PHE 6 4.893 12.811 -6.368
46 HZ PHE 6 HZ PHE 6 3.175 14.288 -7.335
47 H TRP 7 H TRP 7 4.572 7.969 -7.915
48 HA TRP 7 HA TRP 7 5.472 9.977 -9.650
49 HB2 TRP 7 HB2 TRP 7 6.650 7.661 -8.268
50 HB3 TRP 7 HB3 TRP 7 7.484 8.128 -9.747
51 HD1 TRP 7 HD1 TRP 7 7.678 8.765 -6.217
52 HE1 TRP 7 HE1 TRP 7 8.832 11.007 -5.698
53 HE3 TRP 7 HE3 TRP 7 7.432 10.897 -10.857
54 HZ2 TRP 7 HZ2 TRP 7 9.543 13.367 -7.074
55 HZ3 TRP 7 HZ3 TRP 7 8.372 13.149 -11.171
56 HH2 TRP 7 HH2 TRP 7 9.404 14.357 -9.318
57 H SER 8 H SER 8 5.245 6.462 -10.224
58 HA SER 8 HA SER 8 6.023 6.433 -12.877
59 HB2 SER 8 HB2 SER 8 5.628 4.415 -11.461
60 HB3 SER 8 HB3 SER 8 3.893 4.667 -11.648
61 HG SER 8 HG SER 8 5.528 3.384 -13.276
62 H SER 9 H SER 9 2.865 7.142 -11.490
63 HA SER 9 HA SER 9 1.327 7.111 -13.814
64 HB2 SER 9 HB2 SER 9 0.321 7.276 -11.595
65 HB3 SER 9 HB3 SER 9 1.033 8.874 -11.369
66 HG SER 9 HG SER 9 -1.096 8.083 -13.010
67 H LEU 10 H LEU 10 3.402 9.618 -12.477
68 HA LEU 10 HA LEU 10 2.635 11.543 -14.496
69 HB2 LEU 10 HB2 LEU 10 4.872 11.666 -12.481
70 HB3 LEU 10 HB3 LEU 10 4.250 13.008 -13.439
71 HG LEU 10 HG LEU 10 2.137 11.810 -11.890
72 HD11 LEU 10 HD11 LEU 10 4.081 13.096 -10.075
73 HD12 LEU 10 HD12 LEU 10 4.418 11.431 -10.549
74 HD13 LEU 10 HD13 LEU 10 2.893 11.831 -9.759
75 HD21 LEU 10 HD21 LEU 10 3.292 14.529 -11.445
76 HD22 LEU 10 HD22 LEU 10 1.607 14.009 -11.432
77 HD23 LEU 10 HD23 LEU 10 2.474 14.158 -12.962
78 H ARG 11 H ARG 11 5.263 9.311 -13.870
79 HA ARG 11 HA ARG 11 7.206 10.230 -15.599
80 HB2 ARG 11 HB2 ARG 11 6.526 7.687 -14.349
81 HB3 ARG 11 HB3 ARG 11 7.297 7.474 -15.915
82 HG2 ARG 11 HG2 ARG 11 8.685 9.464 -14.371
83 HG3 ARG 11 HG3 ARG 11 8.533 7.958 -13.464
84 HD2 ARG 11 HD2 ARG 11 9.291 7.649 -16.288
85 HD3 ARG 11 HD3 ARG 11 10.481 8.472 -15.280
86 HE ARG 11 HE ARG 11 9.464 6.023 -14.154
87 HH11 ARG 11 HH11 ARG 11 11.876 7.472 -16.204
88 HH12 ARG 11 HH12 ARG 11 13.007 6.174 -16.010
89 HH21 ARG 11 HH21 ARG 11 10.945 4.308 -13.892
90 HH22 ARG 11 HH22 ARG 11 12.476 4.374 -14.696
91 H LYS 12 H LYS 12 4.387 8.213 -16.329
92 HA LYS 12 HA LYS 12 4.999 7.798 -19.058
93 HB2 LYS 12 HB2 LYS 12 2.250 7.824 -17.807
94 HB3 LYS 12 HB3 LYS 12 2.741 6.994 -19.278
95 HG2 LYS 12 HG2 LYS 12 4.052 5.432 -18.055
96 HG3 LYS 12 HG3 LYS 12 3.864 6.355 -16.562
97 HD2 LYS 12 HD2 LYS 12 1.337 5.956 -16.896
98 HD3 LYS 12 HD3 LYS 12 1.839 4.692 -18.022
99 HE2 LYS 12 HE2 LYS 12 3.239 3.731 -16.185
100 HE3 LYS 12 HE3 LYS 12 2.510 4.906 -15.091
101 HZ1 LYS 12 HZ1 LYS 12 1.277 2.584 -16.407
102 HZ2 LYS 12 HZ2 LYS 12 0.310 3.905 -15.985
103 HZ3 LYS 12 HZ3 LYS 12 1.178 3.078 -14.792
104 H GLY 13 H GLY 13 3.436 10.394 -17.328
105 HA2 GLY 13 HA2 GLY 13 2.357 11.623 -19.711
106 HA3 GLY 13 HA3 GLY 13 2.343 12.297 -18.088
107 H PHE 14 H PHE 14 5.248 11.925 -17.767
108 HA PHE 14 HA PHE 14 6.053 14.423 -18.936
109 HB2 PHE 14 HB2 PHE 14 7.175 12.511 -16.965
110 HB3 PHE 14 HB3 PHE 14 8.334 13.504 -17.842
111 HD1 PHE 14 HD2 PHE 14 5.028 13.978 -16.168
112 HD2 PHE 14 HD1 PHE 14 8.988 15.416 -16.777
113 HE1 PHE 14 HE2 PHE 14 4.583 15.847 -14.630
114 HE2 PHE 14 HE1 PHE 14 8.550 17.286 -15.239
115 HZ PHE 14 HZ PHE 14 6.344 17.504 -14.165
116 H TYR 15 H TYR 15 6.655 11.024 -19.524
117 HA TYR 15 HA TYR 15 8.836 11.399 -21.318
118 HB2 TYR 15 HB2 TYR 15 7.356 9.186 -20.216
119 HB3 TYR 15 HB3 TYR 15 7.558 8.969 -21.951
120 HD1 TYR 15 HD1 TYR 15 10.131 9.862 -22.635
121 HD2 TYR 15 HD2 TYR 15 8.911 7.993 -19.013
122 HE1 TYR 15 HE1 TYR 15 12.433 9.076 -22.273
123 HE2 TYR 15 HE2 TYR 15 11.210 7.203 -18.640
124 HH TYR 15 HH TYR 15 13.793 7.892 -20.981
125 H ASP 16 H ASP 16 5.386 11.492 -21.626
126 HA ASP 16 HA ASP 16 5.136 11.008 -24.383
127 HB2 ASP 16 HB2 ASP 16 3.461 12.072 -22.238
128 HB3 ASP 16 HB3 ASP 16 3.124 12.812 -23.800
129 H GLY 17 H GLY 17 6.216 13.784 -22.607
130 HA2 GLY 17 HA2 GLY 17 7.626 15.123 -24.386
131 HA3 GLY 17 HA3 GLY 17 6.010 15.514 -24.957
132 H GLU 18 H GLU 18 5.129 15.381 -22.029
133 HA GLU 18 HA GLU 18 5.110 18.117 -21.515
134 HB2 GLU 18 HB2 GLU 18 4.727 15.756 -19.676
135 HB3 GLU 18 HB3 GLU 18 4.493 17.419 -19.155
136 HG2 GLU 18 HG2 GLU 18 2.949 17.398 -21.355
137 HG3 GLU 18 HG3 GLU 18 2.812 15.711 -20.861
138 H ALA 19 H ALA 19 7.524 15.737 -20.856
139 HA ALA 19 HA ALA 19 8.905 16.814 -18.719
140 HB1 ALA 19 HB1 ALA 19 9.801 14.814 -19.313
141 HB2 ALA 19 HB2 ALA 19 9.651 15.132 -21.041
142 HB3 ALA 19 HB3 ALA 19 10.960 15.871 -20.119
143 H GLY 20 H GLY 20 8.728 17.929 -22.016
144 HA2 GLY 20 HA2 GLY 20 10.533 20.152 -21.290
145 HA3 GLY 20 HA3 GLY 20 10.589 19.394 -22.874
146 H ARG 21 H ARG 21 7.705 19.108 -23.093
147 HA ARG 21 HA ARG 21 7.063 21.425 -24.454
148 HB2 ARG 21 HB2 ARG 21 5.884 19.058 -24.284
149 HB3 ARG 21 HB3 ARG 21 4.868 19.903 -23.124
150 HG2 ARG 21 HG2 ARG 21 4.637 21.672 -25.013
151 HG3 ARG 21 HG3 ARG 21 5.166 20.352 -26.057
152 HD2 ARG 21 HD2 ARG 21 2.767 20.380 -26.012
153 HD3 ARG 21 HD3 ARG 21 3.331 18.959 -25.132
154 HE ARG 21 HE ARG 21 3.005 20.915 -23.232
155 HH11 ARG 21 HH11 ARG 21 0.985 19.348 -25.595
156 HH12 ARG 21 HH12 ARG 21 -0.464 19.519 -24.661
157 HH21 ARG 21 HH21 ARG 21 1.104 21.146 -21.993
158 HH22 ARG 21 HH22 ARG 21 -0.395 20.543 -22.612
159 H ALA 22 H ALA 22 6.523 20.614 -21.070
160 HA ALA 22 HA ALA 22 4.965 22.954 -20.512
161 HB1 ALA 22 HB1 ALA 22 6.215 20.817 -18.826
162 HB2 ALA 22 HB2 ALA 22 5.508 22.256 -18.090
163 HB3 ALA 22 HB3 ALA 22 4.508 21.186 -19.074
164 H ILE 23 H ILE 23 8.342 22.173 -20.571
165 HA ILE 23 HA ILE 23 9.118 24.496 -19.021
166 HB ILE 23 HB ILE 23 10.891 22.638 -20.607
167 HG12 ILE 23 HG12 ILE 23 10.189 22.517 -17.667
168 HG13 ILE 23 HG13 ILE 23 9.522 21.448 -18.896
169 HG21 ILE 23 HG21 ILE 23 12.205 23.666 -18.356
170 HG22 ILE 23 HG22 ILE 23 12.498 24.062 -20.048
171 HG23 ILE 23 HG23 ILE 23 11.371 25.031 -19.099
172 HD11 ILE 23 HD11 ILE 23 11.330 20.392 -17.651
173 HD12 ILE 23 HD12 ILE 23 11.739 20.574 -19.357
174 HD13 ILE 23 HD13 ILE 23 12.431 21.671 -18.162
175 H ARG 24 H ARG 24 8.371 23.795 -22.255
176 HA ARG 24 HA ARG 24 8.698 24.880 -24.241
177 HB2 ARG 24 HB2 ARG 24 8.671 27.328 -22.469
178 HB3 ARG 24 HB3 ARG 24 8.235 27.250 -24.171
179 HG2 ARG 24 HG2 ARG 24 6.742 25.579 -22.207
180 HG3 ARG 24 HG3 ARG 24 6.392 27.304 -22.330
181 HD2 ARG 24 HD2 ARG 24 4.894 26.057 -23.762
182 HD3 ARG 24 HD3 ARG 24 5.992 27.028 -24.742
183 HE ARG 24 HE ARG 24 6.854 24.310 -24.297
184 HH11 ARG 24 HH11 ARG 24 5.055 26.481 -26.338
185 HH12 ARG 24 HH12 ARG 24 5.165 25.464 -27.737
186 HH21 ARG 24 HH21 ARG 24 7.005 22.963 -26.131
187 HH22 ARG 24 HH22 ARG 24 6.274 23.463 -27.618
188 H ARG 25 H ARG 25 11.066 23.890 -23.468
189 HA ARG 25 HA ARG 25 13.187 25.632 -23.042
190 HB2 ARG 25 HB2 ARG 25 12.908 22.912 -24.216
191 HB3 ARG 25 HB3 ARG 25 14.423 23.761 -24.490
192 HG2 ARG 25 HG2 ARG 25 14.275 24.149 -21.885
193 HG3 ARG 25 HG3 ARG 25 13.267 22.703 -21.971
194 HD2 ARG 25 HD2 ARG 25 15.078 21.430 -22.131
195 HD3 ARG 25 HD3 ARG 25 15.573 22.293 -23.586
196 HE ARG 25 HE ARG 25 17.129 23.412 -22.341
197 HH11 ARG 25 HH11 ARG 25 14.782 21.988 -20.201
198 HH12 ARG 25 HH12 ARG 25 15.654 22.397 -18.761
199 HH21 ARG 25 HH21 ARG 25 18.287 23.956 -20.453
200 HH22 ARG 25 HH22 ARG 25 17.647 23.517 -18.905
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -0.004 1.051 1.450
2 HA2 GLY 1 HA2 GLY 1 1.217 2.486 0.070
3 HA3 GLY 1 HA3 GLY 1 1.629 0.932 -0.639
4 H ALA 2 H ALA 2 1.632 3.341 -2.076
5 HA ALA 2 HA ALA 2 0.189 2.618 -4.364
6 HB1 ALA 2 HB1 ALA 2 -1.427 4.558 -4.392
7 HB2 ALA 2 HB2 ALA 2 -1.823 3.240 -3.288
8 HB3 ALA 2 HB3 ALA 2 -1.114 4.730 -2.665
9 H TRP 3 H TRP 3 1.674 5.188 -2.489
10 HA TRP 3 HA TRP 3 2.159 7.084 -4.432
11 HB2 TRP 3 HB2 TRP 3 4.223 7.644 -3.083
12 HB3 TRP 3 HB3 TRP 3 2.720 7.580 -2.167
13 HD1 TRP 3 HD1 TRP 3 2.469 5.669 -0.344
14 HE1 TRP 3 HE1 TRP 3 4.167 4.076 0.753
15 HE3 TRP 3 HE3 TRP 3 6.377 6.294 -3.580
16 HZ2 TRP 3 HZ2 TRP 3 6.813 3.200 0.307
17 HZ3 TRP 3 HZ3 TRP 3 8.456 5.043 -3.174
18 HH2 TRP 3 HH2 TRP 3 8.668 3.529 -1.270
19 H LYS 4 H LYS 4 3.693 3.991 -3.951
20 HA LYS 4 HA LYS 4 6.027 4.355 -5.442
21 HB2 LYS 4 HB2 LYS 4 4.432 1.797 -5.367
22 HB3 LYS 4 HB3 LYS 4 6.171 1.978 -5.560
23 HG2 LYS 4 HG2 LYS 4 6.355 1.641 -3.379
24 HG3 LYS 4 HG3 LYS 4 5.601 3.218 -3.139
25 HD2 LYS 4 HD2 LYS 4 3.977 2.132 -2.059
26 HD3 LYS 4 HD3 LYS 4 3.462 1.536 -3.638
27 HE2 LYS 4 HE2 LYS 4 5.617 0.113 -2.133
28 HE3 LYS 4 HE3 LYS 4 3.928 -0.140 -1.696
29 HZ1 LYS 4 HZ1 LYS 4 5.302 -1.427 -3.680
30 HZ2 LYS 4 HZ2 LYS 4 4.336 -0.318 -4.513
31 HZ3 LYS 4 HZ3 LYS 4 3.625 -1.433 -3.458
32 H ASN 5 H ASN 5 2.868 3.090 -6.498
33 HA ASN 5 HA ASN 5 3.603 2.889 -9.231
34 HB2 ASN 5 HB2 ASN 5 0.802 3.158 -8.129
35 HB3 ASN 5 HB3 ASN 5 1.284 2.420 -9.654
36 HD21 ASN 5 HD21 ASN 5 1.109 2.046 -6.215
37 HD22 ASN 5 HD22 ASN 5 1.460 0.355 -6.174
38 H PHE 6 H PHE 6 2.336 5.458 -7.256
39 HA PHE 6 HA PHE 6 1.397 7.116 -9.360
40 HB2 PHE 6 HB2 PHE 6 0.555 7.575 -7.190
41 HB3 PHE 6 HB3 PHE 6 2.171 7.659 -6.498
42 HD1 PHE 6 HD2 PHE 6 3.535 9.640 -6.754
43 HD2 PHE 6 HD1 PHE 6 -0.377 9.432 -8.418
44 HE1 PHE 6 HE2 PHE 6 3.545 12.079 -7.073
45 HE2 PHE 6 HE1 PHE 6 -0.373 11.871 -8.741
46 HZ PHE 6 HZ PHE 6 1.589 13.198 -8.067
47 H TRP 7 H TRP 7 4.510 6.635 -7.849
48 HA TRP 7 HA TRP 7 5.788 8.965 -8.789
49 HB2 TRP 7 HB2 TRP 7 6.568 6.468 -7.501
50 HB3 TRP 7 HB3 TRP 7 7.775 7.033 -8.653
51 HD1 TRP 7 HD1 TRP 7 7.098 7.282 -5.147
52 HE1 TRP 7 HE1 TRP 7 8.119 9.401 -4.102
53 HE3 TRP 7 HE3 TRP 7 8.030 9.926 -9.422
54 HZ2 TRP 7 HZ2 TRP 7 9.179 11.867 -4.974
55 HZ3 TRP 7 HZ3 TRP 7 9.049 12.158 -9.229
56 HH2 TRP 7 HH2 TRP 7 9.611 13.106 -7.051
57 H SER 8 H SER 8 5.798 5.643 -10.081
58 HA SER 8 HA SER 8 7.271 6.292 -12.409
59 HB2 SER 8 HB2 SER 8 6.543 4.071 -13.227
60 HB3 SER 8 HB3 SER 8 7.156 3.999 -11.575
61 HG SER 8 HG SER 8 5.061 2.902 -12.126
62 H SER 9 H SER 9 3.877 6.374 -11.616
63 HA SER 9 HA SER 9 2.813 6.456 -14.217
64 HB2 SER 9 HB2 SER 9 1.612 6.209 -11.920
65 HB3 SER 9 HB3 SER 9 1.580 7.972 -11.932
66 HG SER 9 HG SER 9 0.621 7.681 -14.120
67 H LEU 10 H LEU 10 4.646 8.737 -12.475
68 HA LEU 10 HA LEU 10 3.643 11.074 -13.830
69 HB2 LEU 10 HB2 LEU 10 6.119 10.671 -12.158
70 HB3 LEU 10 HB3 LEU 10 5.522 12.226 -12.734
71 HG LEU 10 HG LEU 10 3.658 10.601 -11.104
72 HD11 LEU 10 HD11 LEU 10 5.546 12.232 -9.539
73 HD12 LEU 10 HD12 LEU 10 6.176 10.705 -10.157
74 HD13 LEU 10 HD13 LEU 10 4.740 10.716 -9.133
75 HD21 LEU 10 HD21 LEU 10 2.838 12.682 -11.812
76 HD22 LEU 10 HD22 LEU 10 4.352 13.505 -11.438
77 HD23 LEU 10 HD23 LEU 10 3.313 12.933 -10.132
78 H ARG 11 H ARG 11 6.479 8.975 -14.072
79 HA ARG 11 HA ARG 11 7.923 10.418 -15.969
80 HB2 ARG 11 HB2 ARG 11 9.241 8.531 -16.219
81 HB3 ARG 11 HB3 ARG 11 8.528 8.261 -14.635
82 HG2 ARG 11 HG2 ARG 11 6.700 7.032 -16.166
83 HG3 ARG 11 HG3 ARG 11 8.136 6.805 -17.166
84 HD2 ARG 11 HD2 ARG 11 7.683 5.922 -14.327
85 HD3 ARG 11 HD3 ARG 11 8.010 4.920 -15.741
86 HE ARG 11 HE ARG 11 9.931 6.184 -14.066
87 HH11 ARG 11 HH11 ARG 11 9.301 5.231 -17.354
88 HH12 ARG 11 HH12 ARG 11 10.977 5.085 -17.770
89 HH21 ARG 11 HH21 ARG 11 12.140 5.996 -14.601
90 HH22 ARG 11 HH22 ARG 11 12.591 5.520 -16.204
91 H LYS 12 H LYS 12 5.017 8.604 -16.291
92 HA LYS 12 HA LYS 12 5.189 8.058 -19.080
93 HB2 LYS 12 HB2 LYS 12 2.681 8.326 -17.419
94 HB3 LYS 12 HB3 LYS 12 2.863 7.451 -18.934
95 HG2 LYS 12 HG2 LYS 12 4.354 5.859 -17.847
96 HG3 LYS 12 HG3 LYS 12 4.197 6.744 -16.328
97 HD2 LYS 12 HD2 LYS 12 1.727 6.325 -16.447
98 HD3 LYS 12 HD3 LYS 12 2.037 5.267 -17.826
99 HE2 LYS 12 HE2 LYS 12 3.180 3.708 -16.527
100 HE3 LYS 12 HE3 LYS 12 3.482 4.866 -15.233
101 HZ1 LYS 12 HZ1 LYS 12 1.798 3.678 -14.313
102 HZ2 LYS 12 HZ2 LYS 12 1.083 3.293 -15.796
103 HZ3 LYS 12 HZ3 LYS 12 0.869 4.833 -15.130
104 H GLY 13 H GLY 13 4.780 10.917 -17.373
105 HA2 GLY 13 HA2 GLY 13 3.301 12.186 -19.584
106 HA3 GLY 13 HA3 GLY 13 3.448 12.840 -17.959
107 H PHE 14 H PHE 14 6.395 12.002 -18.098
108 HA PHE 14 HA PHE 14 7.331 14.543 -19.082
109 HB2 PHE 14 HB2 PHE 14 8.476 12.290 -17.524
110 HB3 PHE 14 HB3 PHE 14 9.610 13.266 -18.452
111 HD1 PHE 14 HD1 PHE 14 7.047 13.375 -15.799
112 HD2 PHE 14 HD2 PHE 14 10.230 15.427 -17.742
113 HE1 PHE 14 HE1 PHE 14 7.044 15.065 -14.011
114 HE2 PHE 14 HE2 PHE 14 10.232 17.120 -15.957
115 HZ PHE 14 HZ PHE 14 8.639 16.940 -14.088
116 H TYR 15 H TYR 15 7.675 11.144 -19.991
117 HA TYR 15 HA TYR 15 9.503 11.572 -22.109
118 HB2 TYR 15 HB2 TYR 15 9.332 9.316 -22.510
119 HB3 TYR 15 HB3 TYR 15 8.724 9.369 -20.859
120 HD1 TYR 15 HD2 TYR 15 6.361 9.023 -20.390
121 HD2 TYR 15 HD1 TYR 15 7.842 8.876 -24.376
122 HE1 TYR 15 HE2 TYR 15 4.268 7.959 -21.123
123 HE2 TYR 15 HE1 TYR 15 5.753 7.813 -25.120
124 HH TYR 15 HH TYR 15 3.517 6.479 -23.009
125 H ASP 16 H ASP 16 6.064 11.880 -21.840
126 HA ASP 16 HA ASP 16 5.332 11.644 -24.538
127 HB2 ASP 16 HB2 ASP 16 4.124 12.671 -22.077
128 HB3 ASP 16 HB3 ASP 16 3.589 13.525 -23.521
129 H GLY 17 H GLY 17 6.883 14.208 -22.782
130 HA2 GLY 17 HA2 GLY 17 8.107 15.579 -24.669
131 HA3 GLY 17 HA3 GLY 17 6.458 16.108 -24.966
132 H GLU 18 H GLU 18 6.047 15.800 -21.931
133 HA GLU 18 HA GLU 18 6.283 18.499 -21.263
134 HB2 GLU 18 HB2 GLU 18 6.136 16.113 -19.412
135 HB3 GLU 18 HB3 GLU 18 5.841 17.781 -18.944
136 HG2 GLU 18 HG2 GLU 18 4.247 16.496 -21.123
137 HG3 GLU 18 HG3 GLU 18 3.835 16.250 -19.427
138 H ALA 19 H ALA 19 8.596 15.939 -21.133
139 HA ALA 19 HA ALA 19 10.351 16.836 -19.172
140 HB1 ALA 19 HB1 ALA 19 10.565 14.661 -20.246
141 HB2 ALA 19 HB2 ALA 19 11.022 15.441 -21.761
142 HB3 ALA 19 HB3 ALA 19 12.076 15.564 -20.352
143 H GLY 20 H GLY 20 9.704 18.102 -22.330
144 HA2 GLY 20 HA2 GLY 20 11.854 20.086 -21.920
145 HA3 GLY 20 HA3 GLY 20 11.514 19.407 -23.504
146 H ARG 21 H ARG 21 8.709 19.442 -23.418
147 HA ARG 21 HA ARG 21 8.141 21.995 -24.350
148 HB2 ARG 21 HB2 ARG 21 6.822 19.677 -24.444
149 HB3 ARG 21 HB3 ARG 21 5.925 20.427 -23.130
150 HG2 ARG 21 HG2 ARG 21 5.674 22.433 -24.707
151 HG3 ARG 21 HG3 ARG 21 6.175 21.315 -25.977
152 HD2 ARG 21 HD2 ARG 21 3.763 21.131 -24.188
153 HD3 ARG 21 HD3 ARG 21 3.801 21.307 -25.942
154 HE ARG 21 HE ARG 21 5.107 18.954 -25.437
155 HH11 ARG 21 HH11 ARG 21 1.956 20.255 -24.732
156 HH12 ARG 21 HH12 ARG 21 1.170 18.710 -24.751
157 HH21 ARG 21 HH21 ARG 21 4.084 16.915 -25.465
158 HH22 ARG 21 HH22 ARG 21 2.382 16.811 -25.167
159 H ALA 22 H ALA 22 8.162 20.761 -21.112
160 HA ALA 22 HA ALA 22 6.498 22.647 -19.861
161 HB1 ALA 22 HB1 ALA 22 8.902 21.264 -18.676
162 HB2 ALA 22 HB2 ALA 22 7.550 21.979 -17.796
163 HB3 ALA 22 HB3 ALA 22 7.291 20.557 -18.806
164 H ILE 23 H ILE 23 9.630 22.948 -21.218
165 HA ILE 23 HA ILE 23 10.541 25.139 -19.632
166 HB ILE 23 HB ILE 23 11.420 24.254 -22.383
167 HG12 ILE 23 HG12 ILE 23 13.105 23.817 -19.985
168 HG13 ILE 23 HG13 ILE 23 11.655 22.826 -20.102
169 HG21 ILE 23 HG21 ILE 23 13.544 25.501 -21.635
170 HG22 ILE 23 HG22 ILE 23 12.172 26.449 -22.206
171 HG23 ILE 23 HG23 ILE 23 12.485 26.305 -20.477
172 HD11 ILE 23 HD11 ILE 23 12.581 22.459 -22.561
173 HD12 ILE 23 HD12 ILE 23 14.107 22.809 -21.749
174 HD13 ILE 23 HD13 ILE 23 13.098 21.473 -21.194
175 H ARG 24 H ARG 24 8.423 24.817 -22.332
176 HA ARG 24 HA ARG 24 7.308 26.312 -23.639
177 HB2 ARG 24 HB2 ARG 24 7.721 28.243 -21.358
178 HB3 ARG 24 HB3 ARG 24 6.408 28.228 -22.528
179 HG2 ARG 24 HG2 ARG 24 6.903 26.069 -20.489
180 HG3 ARG 24 HG3 ARG 24 5.758 27.398 -20.294
181 HD2 ARG 24 HD2 ARG 24 4.269 26.506 -21.750
182 HD3 ARG 24 HD3 ARG 24 5.526 25.824 -22.781
183 HE ARG 24 HE ARG 24 5.645 24.315 -20.525
184 HH11 ARG 24 HH11 ARG 24 3.099 25.185 -22.736
185 HH12 ARG 24 HH12 ARG 24 2.212 23.716 -22.496
186 HH21 ARG 24 HH21 ARG 24 4.485 22.377 -20.202
187 HH22 ARG 24 HH22 ARG 24 3.000 22.120 -21.054
188 H ARG 25 H ARG 25 9.751 26.154 -24.573
189 HA ARG 25 HA ARG 25 11.328 28.485 -24.535
190 HB2 ARG 25 HB2 ARG 25 11.162 26.527 -26.823
191 HB3 ARG 25 HB3 ARG 25 12.530 27.532 -26.363
192 HG2 ARG 25 HG2 ARG 25 12.574 26.228 -24.190
193 HG3 ARG 25 HG3 ARG 25 11.453 25.106 -24.964
194 HD2 ARG 25 HD2 ARG 25 13.345 24.070 -25.614
195 HD3 ARG 25 HD3 ARG 25 13.344 25.300 -26.877
196 HE ARG 25 HE ARG 25 14.687 26.390 -24.720
197 HH11 ARG 25 HH11 ARG 25 15.058 23.673 -26.864
198 HH12 ARG 25 HH12 ARG 25 16.788 23.659 -26.758
199 HH21 ARG 25 HH21 ARG 25 16.963 26.382 -24.572
200 HH22 ARG 25 HH22 ARG 25 17.870 25.200 -25.453
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -0.197 -1.264 -1.096
2 HA2 GLY 1 HA2 GLY 1 -0.047 0.953 -0.499
3 HA3 GLY 1 HA3 GLY 1 1.511 1.001 -1.312
4 H ALA 2 H ALA 2 1.539 2.585 -2.752
5 HA ALA 2 HA ALA 2 -0.118 2.646 -5.009
6 HB1 ALA 2 HB1 ALA 2 -1.317 4.811 -4.509
7 HB2 ALA 2 HB2 ALA 2 -1.916 3.384 -3.663
8 HB3 ALA 2 HB3 ALA 2 -0.900 4.549 -2.815
9 H TRP 3 H TRP 3 1.926 4.441 -2.787
10 HA TRP 3 HA TRP 3 2.692 6.583 -4.345
11 HB2 TRP 3 HB2 TRP 3 4.878 6.460 -3.086
12 HB3 TRP 3 HB3 TRP 3 3.433 6.471 -2.079
13 HD1 TRP 3 HD1 TRP 3 2.915 4.303 -0.648
14 HE1 TRP 3 HE1 TRP 3 4.317 2.229 -0.051
15 HE3 TRP 3 HE3 TRP 3 6.687 4.866 -4.053
16 HZ2 TRP 3 HZ2 TRP 3 6.705 0.994 -0.910
17 HZ3 TRP 3 HZ3 TRP 3 8.492 3.194 -4.100
18 HH2 TRP 3 HH2 TRP 3 8.500 1.300 -2.560
19 H LYS 4 H LYS 4 3.615 3.230 -4.614
20 HA LYS 4 HA LYS 4 5.908 3.458 -6.184
21 HB2 LYS 4 HB2 LYS 4 3.827 1.298 -6.509
22 HB3 LYS 4 HB3 LYS 4 5.557 1.181 -6.806
23 HG2 LYS 4 HG2 LYS 4 5.756 0.346 -4.764
24 HG3 LYS 4 HG3 LYS 4 5.354 1.948 -4.143
25 HD2 LYS 4 HD2 LYS 4 3.586 0.988 -3.176
26 HD3 LYS 4 HD3 LYS 4 2.896 0.857 -4.796
27 HE2 LYS 4 HE2 LYS 4 4.332 -1.334 -4.890
28 HE3 LYS 4 HE3 LYS 4 4.259 -1.212 -3.133
29 HZ1 LYS 4 HZ1 LYS 4 2.205 -1.950 -5.007
30 HZ2 LYS 4 HZ2 LYS 4 1.693 -0.810 -3.868
31 HZ3 LYS 4 HZ3 LYS 4 2.333 -2.289 -3.354
32 H ASN 5 H ASN 5 2.525 3.058 -7.236
33 HA ASN 5 HA ASN 5 3.087 3.303 -9.996
34 HB2 ASN 5 HB2 ASN 5 0.470 3.921 -8.611
35 HB3 ASN 5 HB3 ASN 5 0.698 3.476 -10.300
36 HD21 ASN 5 HD21 ASN 5 0.529 2.358 -7.038
37 HD22 ASN 5 HD22 ASN 5 0.511 0.667 -7.396
38 H PHE 6 H PHE 6 2.411 5.626 -7.473
39 HA PHE 6 HA PHE 6 1.834 7.841 -9.130
40 HB2 PHE 6 HB2 PHE 6 1.195 8.056 -6.872
41 HB3 PHE 6 HB3 PHE 6 2.784 7.575 -6.287
42 HD1 PHE 6 HD2 PHE 6 4.616 9.152 -6.218
43 HD2 PHE 6 HD1 PHE 6 0.770 10.309 -7.628
44 HE1 PHE 6 HE2 PHE 6 5.262 11.518 -6.027
45 HE2 PHE 6 HE1 PHE 6 1.411 12.678 -7.440
46 HZ PHE 6 HZ PHE 6 3.659 13.285 -6.637
47 H TRP 7 H TRP 7 4.805 6.363 -8.081
48 HA TRP 7 HA TRP 7 6.556 8.512 -8.605
49 HB2 TRP 7 HB2 TRP 7 6.780 5.670 -7.990
50 HB3 TRP 7 HB3 TRP 7 8.032 6.218 -9.100
51 HD1 TRP 7 HD1 TRP 7 7.596 5.754 -5.578
52 HE1 TRP 7 HE1 TRP 7 9.132 7.284 -4.192
53 HE3 TRP 7 HE3 TRP 7 8.922 9.087 -9.221
54 HZ2 TRP 7 HZ2 TRP 7 10.699 9.598 -4.590
55 HZ3 TRP 7 HZ3 TRP 7 10.443 10.931 -8.635
56 HH2 TRP 7 HH2 TRP 7 11.311 11.179 -6.367
57 H SER 8 H SER 8 5.739 5.663 -10.588
58 HA SER 8 HA SER 8 7.199 6.521 -12.855
59 HB2 SER 8 HB2 SER 8 6.385 4.625 -13.919
60 HB3 SER 8 HB3 SER 8 6.244 4.158 -12.224
61 HG SER 8 HG SER 8 4.270 3.730 -12.935
62 H SER 9 H SER 9 3.830 6.884 -11.875
63 HA SER 9 HA SER 9 2.707 7.845 -14.203
64 HB2 SER 9 HB2 SER 9 1.761 7.468 -11.722
65 HB3 SER 9 HB3 SER 9 1.927 9.223 -11.685
66 HG SER 9 HG SER 9 0.628 7.890 -13.811
67 H LEU 10 H LEU 10 4.872 9.438 -11.988
68 HA LEU 10 HA LEU 10 4.433 12.104 -12.756
69 HB2 LEU 10 HB2 LEU 10 6.913 10.743 -11.719
70 HB3 LEU 10 HB3 LEU 10 6.744 12.488 -11.900
71 HG LEU 10 HG LEU 10 4.699 11.117 -10.255
72 HD11 LEU 10 HD11 LEU 10 7.274 10.371 -9.799
73 HD12 LEU 10 HD12 LEU 10 6.010 10.435 -8.572
74 HD13 LEU 10 HD13 LEU 10 7.125 11.787 -8.758
75 HD21 LEU 10 HD21 LEU 10 5.942 13.757 -10.549
76 HD22 LEU 10 HD22 LEU 10 5.634 13.270 -8.882
77 HD23 LEU 10 HD23 LEU 10 4.310 13.317 -10.047
78 H ARG 11 H ARG 11 7.044 9.896 -13.784
79 HA ARG 11 HA ARG 11 7.930 11.614 -15.869
80 HB2 ARG 11 HB2 ARG 11 8.452 8.660 -15.852
81 HB3 ARG 11 HB3 ARG 11 9.507 9.969 -16.368
82 HG2 ARG 11 HG2 ARG 11 10.530 9.661 -14.413
83 HG3 ARG 11 HG3 ARG 11 9.160 10.533 -13.721
84 HD2 ARG 11 HD2 ARG 11 8.720 8.728 -12.500
85 HD3 ARG 11 HD3 ARG 11 8.295 7.892 -13.993
86 HE ARG 11 HE ARG 11 10.205 6.668 -13.780
87 HH11 ARG 11 HH11 ARG 11 10.536 9.576 -11.894
88 HH12 ARG 11 HH12 ARG 11 12.061 9.116 -11.212
89 HH21 ARG 11 HH21 ARG 11 12.212 6.051 -12.889
90 HH22 ARG 11 HH22 ARG 11 13.014 7.111 -11.779
91 H LYS 12 H LYS 12 5.676 8.934 -15.695
92 HA LYS 12 HA LYS 12 5.383 8.262 -18.352
93 HB2 LYS 12 HB2 LYS 12 3.461 8.330 -16.050
94 HB3 LYS 12 HB3 LYS 12 2.893 7.895 -17.656
95 HG2 LYS 12 HG2 LYS 12 5.080 6.304 -17.420
96 HG3 LYS 12 HG3 LYS 12 4.512 6.372 -15.750
97 HD2 LYS 12 HD2 LYS 12 2.646 5.789 -18.031
98 HD3 LYS 12 HD3 LYS 12 3.585 4.513 -17.253
99 HE2 LYS 12 HE2 LYS 12 2.575 5.646 -15.070
100 HE3 LYS 12 HE3 LYS 12 1.316 6.119 -16.210
101 HZ1 LYS 12 HZ1 LYS 12 1.040 3.791 -16.809
102 HZ2 LYS 12 HZ2 LYS 12 0.789 4.020 -15.152
103 HZ3 LYS 12 HZ3 LYS 12 2.238 3.342 -15.701
104 H GLY 13 H GLY 13 4.142 11.064 -16.637
105 HA2 GLY 13 HA2 GLY 13 2.550 11.927 -18.906
106 HA3 GLY 13 HA3 GLY 13 2.736 12.773 -17.377
107 H PHE 14 H PHE 14 5.667 12.649 -17.486
108 HA PHE 14 HA PHE 14 6.087 15.063 -18.956
109 HB2 PHE 14 HB2 PHE 14 7.895 13.247 -17.373
110 HB3 PHE 14 HB3 PHE 14 8.526 14.630 -18.261
111 HD1 PHE 14 HD1 PHE 14 6.909 16.822 -17.827
112 HD2 PHE 14 HD2 PHE 14 7.661 13.614 -15.132
113 HE1 PHE 14 HE1 PHE 14 6.361 18.291 -15.931
114 HE2 PHE 14 HE2 PHE 14 7.113 15.078 -13.232
115 HZ PHE 14 HZ PHE 14 6.462 17.419 -13.630
116 H TYR 15 H TYR 15 6.626 11.679 -19.551
117 HA TYR 15 HA TYR 15 8.491 11.961 -21.672
118 HB2 TYR 15 HB2 TYR 15 6.916 9.794 -20.466
119 HB3 TYR 15 HB3 TYR 15 7.211 9.590 -22.189
120 HD1 TYR 15 HD2 TYR 15 9.779 10.211 -22.842
121 HD2 TYR 15 HD1 TYR 15 8.435 8.789 -19.064
122 HE1 TYR 15 HE2 TYR 15 12.040 9.374 -22.359
123 HE2 TYR 15 HE1 TYR 15 10.694 7.949 -18.570
124 HH TYR 15 HH TYR 15 13.161 8.671 -19.464
125 H ASP 16 H ASP 16 5.048 12.237 -21.454
126 HA ASP 16 HA ASP 16 4.313 11.739 -24.106
127 HB2 ASP 16 HB2 ASP 16 3.104 13.637 -22.084
128 HB3 ASP 16 HB3 ASP 16 2.343 13.193 -23.609
129 H GLY 17 H GLY 17 5.934 14.439 -22.662
130 HA2 GLY 17 HA2 GLY 17 7.150 15.591 -24.683
131 HA3 GLY 17 HA3 GLY 17 5.506 16.102 -25.035
132 H GLU 18 H GLU 18 5.121 16.124 -21.973
133 HA GLU 18 HA GLU 18 5.405 18.888 -21.619
134 HB2 GLU 18 HB2 GLU 18 5.085 16.673 -19.590
135 HB3 GLU 18 HB3 GLU 18 4.997 18.383 -19.192
136 HG2 GLU 18 HG2 GLU 18 3.195 17.016 -21.175
137 HG3 GLU 18 HG3 GLU 18 2.793 17.278 -19.479
138 H ALA 19 H ALA 19 7.676 16.344 -21.303
139 HA ALA 19 HA ALA 19 9.426 17.306 -19.371
140 HB1 ALA 19 HB1 ALA 19 9.616 15.088 -20.388
141 HB2 ALA 19 HB2 ALA 19 10.131 15.829 -21.904
142 HB3 ALA 19 HB3 ALA 19 11.142 15.970 -20.466
143 H GLY 20 H GLY 20 8.800 18.459 -22.575
144 HA2 GLY 20 HA2 GLY 20 10.843 20.541 -22.166
145 HA3 GLY 20 HA3 GLY 20 10.757 19.691 -23.702
146 H ARG 21 H ARG 21 7.916 19.533 -23.866
147 HA ARG 21 HA ARG 21 7.372 22.035 -25.066
148 HB2 ARG 21 HB2 ARG 21 6.299 19.525 -25.250
149 HB3 ARG 21 HB3 ARG 21 5.040 20.385 -24.375
150 HG2 ARG 21 HG2 ARG 21 4.789 21.970 -26.128
151 HG3 ARG 21 HG3 ARG 21 6.230 21.371 -26.953
152 HD2 ARG 21 HD2 ARG 21 3.915 19.551 -26.416
153 HD3 ARG 21 HD3 ARG 21 3.888 20.648 -27.796
154 HE ARG 21 HE ARG 21 6.296 19.126 -27.693
155 HH11 ARG 21 HH11 ARG 21 2.938 18.997 -28.602
156 HH12 ARG 21 HH12 ARG 21 3.173 17.762 -29.795
157 HH21 ARG 21 HH21 ARG 21 6.619 17.500 -29.260
158 HH22 ARG 21 HH22 ARG 21 5.267 16.911 -30.167
159 H ALA 22 H ALA 22 6.420 20.583 -21.991
160 HA ALA 22 HA ALA 22 4.546 22.489 -21.178
161 HB1 ALA 22 HB1 ALA 22 6.411 21.061 -19.301
162 HB2 ALA 22 HB2 ALA 22 4.757 21.598 -19.005
163 HB3 ALA 22 HB3 ALA 22 5.065 20.253 -20.104
164 H ILE 23 H ILE 23 7.973 22.683 -21.421
165 HA ILE 23 HA ILE 23 8.056 25.088 -19.745
166 HB ILE 23 HB ILE 23 10.441 23.775 -21.024
167 HG12 ILE 23 HG12 ILE 23 10.507 22.921 -18.431
168 HG13 ILE 23 HG13 ILE 23 8.783 22.836 -18.776
169 HG21 ILE 23 HG21 ILE 23 11.375 24.757 -18.762
170 HG22 ILE 23 HG22 ILE 23 11.173 25.772 -20.190
171 HG23 ILE 23 HG23 ILE 23 9.965 25.806 -18.906
172 HD11 ILE 23 HD11 ILE 23 9.969 20.723 -19.199
173 HD12 ILE 23 HD12 ILE 23 9.186 21.372 -20.640
174 HD13 ILE 23 HD13 ILE 23 10.930 21.537 -20.434
175 H ARG 24 H ARG 24 7.272 24.469 -22.785
176 HA ARG 24 HA ARG 24 7.350 25.572 -24.777
177 HB2 ARG 24 HB2 ARG 24 7.544 27.720 -22.713
178 HB3 ARG 24 HB3 ARG 24 7.758 28.159 -24.402
179 HG2 ARG 24 HG2 ARG 24 5.458 28.482 -23.704
180 HG3 ARG 24 HG3 ARG 24 5.569 27.217 -24.929
181 HD2 ARG 24 HD2 ARG 24 4.052 26.743 -22.958
182 HD3 ARG 24 HD3 ARG 24 5.252 25.508 -23.336
183 HE ARG 24 HE ARG 24 6.242 25.899 -21.310
184 HH11 ARG 24 HH11 ARG 24 4.087 28.530 -22.056
185 HH12 ARG 24 HH12 ARG 24 4.237 29.267 -20.495
186 HH21 ARG 24 HH21 ARG 24 6.448 26.861 -19.252
187 HH22 ARG 24 HH22 ARG 24 5.581 28.317 -18.901
188 H ARG 25 H ARG 25 9.474 24.272 -24.915
189 HA ARG 25 HA ARG 25 11.971 25.496 -24.632
190 HB2 ARG 25 HB2 ARG 25 10.900 23.143 -26.060
191 HB3 ARG 25 HB3 ARG 25 12.402 23.794 -26.701
192 HG2 ARG 25 HG2 ARG 25 12.934 23.734 -24.035
193 HG3 ARG 25 HG3 ARG 25 11.889 22.325 -24.226
194 HD2 ARG 25 HD2 ARG 25 14.203 21.680 -24.513
195 HD3 ARG 25 HD3 ARG 25 13.341 21.522 -26.043
196 HE ARG 25 HE ARG 25 14.450 24.028 -26.102
197 HH11 ARG 25 HH11 ARG 25 15.643 20.780 -25.722
198 HH12 ARG 25 HH12 ARG 25 17.178 21.119 -26.450
199 HH21 ARG 25 HH21 ARG 25 16.467 24.487 -27.063
200 HH22 ARG 25 HH22 ARG 25 17.646 23.228 -27.212
Start of MODEL 16
1 H1 GLY 1 H GLY 1 2.504 -0.803 -2.256
2 HA2 GLY 1 HA2 GLY 1 3.866 0.867 -0.397
3 HA3 GLY 1 HA3 GLY 1 4.602 0.982 -1.989
4 H ALA 2 H ALA 2 4.002 2.933 -2.713
5 HA ALA 2 HA ALA 2 1.397 3.383 -3.649
6 HB1 ALA 2 HB1 ALA 2 2.069 4.743 -1.050
7 HB2 ALA 2 HB2 ALA 2 0.810 5.318 -2.144
8 HB3 ALA 2 HB3 ALA 2 0.682 3.717 -1.415
9 H TRP 3 H TRP 3 4.435 4.779 -2.565
10 HA TRP 3 HA TRP 3 4.314 7.209 -3.953
11 HB2 TRP 3 HB2 TRP 3 6.731 7.297 -3.691
12 HB3 TRP 3 HB3 TRP 3 5.995 6.679 -2.214
13 HD1 TRP 3 HD1 TRP 3 6.570 4.202 -1.499
14 HE1 TRP 3 HE1 TRP 3 8.322 2.503 -2.316
15 HE3 TRP 3 HE3 TRP 3 7.962 6.499 -5.849
16 HZ2 TRP 3 HZ2 TRP 3 10.064 2.179 -4.513
17 HZ3 TRP 3 HZ3 TRP 3 9.678 5.429 -7.251
18 HH2 TRP 3 HH2 TRP 3 10.706 3.314 -6.595
19 H LYS 4 H LYS 4 5.276 3.988 -4.982
20 HA LYS 4 HA LYS 4 6.375 4.753 -7.483
21 HB2 LYS 4 HB2 LYS 4 5.972 2.310 -8.059
22 HB3 LYS 4 HB3 LYS 4 6.997 2.624 -6.665
23 HG2 LYS 4 HG2 LYS 4 5.626 1.538 -5.296
24 HG3 LYS 4 HG3 LYS 4 4.206 2.376 -5.926
25 HD2 LYS 4 HD2 LYS 4 5.562 0.034 -7.262
26 HD3 LYS 4 HD3 LYS 4 4.118 -0.079 -6.254
27 HE2 LYS 4 HE2 LYS 4 3.219 1.749 -7.919
28 HE3 LYS 4 HE3 LYS 4 4.454 1.076 -8.981
29 HZ1 LYS 4 HZ1 LYS 4 3.357 -0.882 -9.175
30 HZ2 LYS 4 HZ2 LYS 4 2.018 0.112 -8.892
31 HZ3 LYS 4 HZ3 LYS 4 2.674 -0.803 -7.629
32 H ASN 5 H ASN 5 3.138 3.883 -6.414
33 HA ASN 5 HA ASN 5 1.999 3.716 -9.016
34 HB2 ASN 5 HB2 ASN 5 0.653 4.231 -6.354
35 HB3 ASN 5 HB3 ASN 5 -0.163 3.767 -7.843
36 HD21 ASN 5 HD21 ASN 5 2.068 2.721 -5.359
37 HD22 ASN 5 HD22 ASN 5 1.865 1.025 -5.623
38 H PHE 6 H PHE 6 2.708 6.321 -6.848
39 HA PHE 6 HA PHE 6 0.995 8.200 -8.249
40 HB2 PHE 6 HB2 PHE 6 1.057 8.683 -5.967
41 HB3 PHE 6 HB3 PHE 6 2.783 8.359 -5.846
42 HD1 PHE 6 HD2 PHE 6 0.489 10.687 -7.650
43 HD2 PHE 6 HD1 PHE 6 4.160 10.164 -5.562
44 HE1 PHE 6 HE2 PHE 6 0.949 13.094 -7.865
45 HE2 PHE 6 HE1 PHE 6 4.627 12.571 -5.773
46 HZ PHE 6 HZ PHE 6 3.021 14.039 -6.927
47 H TRP 7 H TRP 7 4.480 7.786 -7.656
48 HA TRP 7 HA TRP 7 5.351 9.898 -9.275
49 HB2 TRP 7 HB2 TRP 7 6.560 7.570 -7.967
50 HB3 TRP 7 HB3 TRP 7 7.389 8.057 -9.443
51 HD1 TRP 7 HD1 TRP 7 7.615 8.643 -5.913
52 HE1 TRP 7 HE1 TRP 7 8.752 10.887 -5.368
53 HE3 TRP 7 HE3 TRP 7 7.288 10.855 -10.510
54 HZ2 TRP 7 HZ2 TRP 7 9.421 13.278 -6.710
55 HZ3 TRP 7 HZ3 TRP 7 8.201 13.122 -10.796
56 HH2 TRP 7 HH2 TRP 7 9.244 14.307 -8.934
57 H SER 8 H SER 8 5.009 6.436 -10.027
58 HA SER 8 HA SER 8 5.858 6.594 -12.696
59 HB2 SER 8 HB2 SER 8 4.990 4.394 -12.960
60 HB3 SER 8 HB3 SER 8 5.531 4.497 -11.285
61 HG SER 8 HG SER 8 3.239 3.691 -11.981
62 H SER 9 H SER 9 2.727 7.121 -11.202
63 HA SER 9 HA SER 9 1.102 7.077 -13.465
64 HB2 SER 9 HB2 SER 9 0.149 7.164 -11.233
65 HB3 SER 9 HB3 SER 9 0.858 8.755 -10.956
66 HG SER 9 HG SER 9 -0.741 9.627 -12.002
67 H LEU 10 H LEU 10 3.242 9.561 -12.240
68 HA LEU 10 HA LEU 10 2.291 11.542 -14.129
69 HB2 LEU 10 HB2 LEU 10 4.697 11.653 -12.319
70 HB3 LEU 10 HB3 LEU 10 3.935 13.007 -13.151
71 HG LEU 10 HG LEU 10 2.023 11.685 -11.459
72 HD11 LEU 10 HD11 LEU 10 4.441 11.298 -10.372
73 HD12 LEU 10 HD12 LEU 10 2.988 11.596 -9.419
74 HD13 LEU 10 HD13 LEU 10 4.102 12.919 -9.765
75 HD21 LEU 10 HD21 LEU 10 2.274 14.113 -12.432
76 HD22 LEU 10 HD22 LEU 10 3.145 14.393 -10.924
77 HD23 LEU 10 HD23 LEU 10 1.472 13.834 -10.886
78 H ARG 11 H ARG 11 5.042 9.387 -13.723
79 HA ARG 11 HA ARG 11 6.799 10.361 -15.603
80 HB2 ARG 11 HB2 ARG 11 6.355 7.852 -14.254
81 HB3 ARG 11 HB3 ARG 11 6.846 7.566 -15.918
82 HG2 ARG 11 HG2 ARG 11 8.621 9.478 -15.159
83 HG3 ARG 11 HG3 ARG 11 8.379 8.598 -13.649
84 HD2 ARG 11 HD2 ARG 11 8.686 6.840 -15.948
85 HD3 ARG 11 HD3 ARG 11 10.083 7.885 -15.697
86 HE ARG 11 HE ARG 11 9.200 5.721 -14.008
87 HH11 ARG 11 HH11 ARG 11 11.086 8.640 -14.215
88 HH12 ARG 11 HH12 ARG 11 12.112 8.227 -12.881
89 HH21 ARG 11 HH21 ARG 11 10.545 5.165 -12.251
90 HH22 ARG 11 HH22 ARG 11 11.804 6.250 -11.766
91 H LYS 12 H LYS 12 4.092 8.121 -16.146
92 HA LYS 12 HA LYS 12 4.415 7.649 -18.845
93 HB2 LYS 12 HB2 LYS 12 1.789 8.021 -17.393
94 HB3 LYS 12 HB3 LYS 12 2.017 7.174 -18.917
95 HG2 LYS 12 HG2 LYS 12 3.268 5.444 -17.853
96 HG3 LYS 12 HG3 LYS 12 3.315 6.342 -16.334
97 HD2 LYS 12 HD2 LYS 12 0.715 6.235 -16.515
98 HD3 LYS 12 HD3 LYS 12 1.034 4.891 -17.614
99 HE2 LYS 12 HE2 LYS 12 2.336 3.776 -15.869
100 HE3 LYS 12 HE3 LYS 12 2.029 5.123 -14.774
101 HZ1 LYS 12 HZ1 LYS 12 0.550 3.181 -14.440
102 HZ2 LYS 12 HZ2 LYS 12 -0.107 3.450 -15.975
103 HZ3 LYS 12 HZ3 LYS 12 -0.284 4.617 -14.763
104 H GLY 13 H GLY 13 3.191 10.499 -17.237
105 HA2 GLY 13 HA2 GLY 13 2.186 11.679 -19.683
106 HA3 GLY 13 HA3 GLY 13 2.236 12.439 -18.099
107 H PHE 14 H PHE 14 5.101 11.826 -17.761
108 HA PHE 14 HA PHE 14 6.117 14.185 -19.042
109 HB2 PHE 14 HB2 PHE 14 7.135 12.223 -17.045
110 HB3 PHE 14 HB3 PHE 14 8.319 13.175 -17.933
111 HD1 PHE 14 HD2 PHE 14 5.067 13.738 -16.184
112 HD2 PHE 14 HD1 PHE 14 9.038 15.088 -16.909
113 HE1 PHE 14 HE2 PHE 14 4.707 15.618 -14.638
114 HE2 PHE 14 HE1 PHE 14 8.684 16.970 -15.364
115 HZ PHE 14 HZ PHE 14 6.516 17.237 -14.227
116 H TYR 15 H TYR 15 6.560 10.706 -19.398
117 HA TYR 15 HA TYR 15 8.691 10.819 -21.250
118 HB2 TYR 15 HB2 TYR 15 6.989 8.791 -20.085
119 HB3 TYR 15 HB3 TYR 15 7.233 8.488 -21.802
120 HD1 TYR 15 HD2 TYR 15 9.891 9.120 -22.427
121 HD2 TYR 15 HD1 TYR 15 8.399 7.540 -18.768
122 HE1 TYR 15 HE2 TYR 15 12.103 8.159 -21.946
123 HE2 TYR 15 HE1 TYR 15 10.608 6.576 -18.277
124 HH TYR 15 HH TYR 15 12.660 5.813 -19.786
125 H ASP 16 H ASP 16 5.261 11.206 -21.565
126 HA ASP 16 HA ASP 16 4.989 10.651 -24.314
127 HB2 ASP 16 HB2 ASP 16 3.394 12.430 -22.464
128 HB3 ASP 16 HB3 ASP 16 2.930 12.103 -24.131
129 H GLY 17 H GLY 17 6.234 13.392 -22.593
130 HA2 GLY 17 HA2 GLY 17 7.747 14.613 -24.350
131 HA3 GLY 17 HA3 GLY 17 6.178 15.054 -25.007
132 H GLU 18 H GLU 18 5.155 15.084 -22.129
133 HA GLU 18 HA GLU 18 5.259 17.837 -21.718
134 HB2 GLU 18 HB2 GLU 18 4.726 15.641 -19.710
135 HB3 GLU 18 HB3 GLU 18 4.384 17.345 -19.449
136 HG2 GLU 18 HG2 GLU 18 3.171 16.577 -21.892
137 HG3 GLU 18 HG3 GLU 18 2.757 15.375 -20.671
138 H ALA 19 H ALA 19 7.503 15.362 -20.850
139 HA ALA 19 HA ALA 19 8.825 16.501 -18.687
140 HB1 ALA 19 HB1 ALA 19 9.313 14.255 -19.355
141 HB2 ALA 19 HB2 ALA 19 9.907 14.799 -20.925
142 HB3 ALA 19 HB3 ALA 19 10.802 15.196 -19.458
143 H GLY 20 H GLY 20 8.826 17.414 -22.028
144 HA2 GLY 20 HA2 GLY 20 10.828 19.494 -21.404
145 HA3 GLY 20 HA3 GLY 20 10.842 18.633 -22.937
146 H ARG 21 H ARG 21 8.086 18.585 -23.454
147 HA ARG 21 HA ARG 21 7.718 21.032 -24.740
148 HB2 ARG 21 HB2 ARG 21 6.539 19.087 -25.507
149 HB3 ARG 21 HB3 ARG 21 5.731 18.899 -23.957
150 HG2 ARG 21 HG2 ARG 21 4.165 20.446 -24.433
151 HG3 ARG 21 HG3 ARG 21 5.291 21.468 -25.326
152 HD2 ARG 21 HD2 ARG 21 4.462 18.835 -26.464
153 HD3 ARG 21 HD3 ARG 21 3.368 20.213 -26.574
154 HE ARG 21 HE ARG 21 5.878 21.038 -27.467
155 HH11 ARG 21 HH11 ARG 21 3.349 18.834 -28.399
156 HH12 ARG 21 HH12 ARG 21 3.697 18.945 -30.092
157 HH21 ARG 21 HH21 ARG 21 6.346 21.192 -29.694
158 HH22 ARG 21 HH22 ARG 21 5.403 20.286 -30.828
159 H ALA 22 H ALA 22 7.027 20.071 -21.493
160 HA ALA 22 HA ALA 22 5.128 22.141 -20.932
161 HB1 ALA 22 HB1 ALA 22 5.181 20.044 -19.659
162 HB2 ALA 22 HB2 ALA 22 6.766 20.481 -19.019
163 HB3 ALA 22 HB3 ALA 22 5.352 21.454 -18.613
164 H ILE 23 H ILE 23 8.513 22.032 -21.233
165 HA ILE 23 HA ILE 23 8.922 24.383 -19.543
166 HB ILE 23 HB ILE 23 11.024 22.897 -21.110
167 HG12 ILE 23 HG12 ILE 23 10.195 22.447 -18.235
168 HG13 ILE 23 HG13 ILE 23 9.816 21.365 -19.570
169 HG21 ILE 23 HG21 ILE 23 11.034 25.249 -19.516
170 HG22 ILE 23 HG22 ILE 23 11.964 24.007 -18.679
171 HG23 ILE 23 HG23 ILE 23 12.387 24.462 -20.329
172 HD11 ILE 23 HD11 ILE 23 11.773 20.735 -18.101
173 HD12 ILE 23 HD12 ILE 23 12.064 20.749 -19.841
174 HD13 ILE 23 HD13 ILE 23 12.634 22.085 -18.840
175 H ARG 24 H ARG 24 8.105 23.702 -22.692
176 HA ARG 24 HA ARG 24 8.071 24.891 -24.632
177 HB2 ARG 24 HB2 ARG 24 8.155 26.978 -22.505
178 HB3 ARG 24 HB3 ARG 24 8.386 27.490 -24.172
179 HG2 ARG 24 HG2 ARG 24 6.068 27.708 -23.556
180 HG3 ARG 24 HG3 ARG 24 6.246 26.439 -24.770
181 HD2 ARG 24 HD2 ARG 24 4.708 25.940 -22.811
182 HD3 ARG 24 HD3 ARG 24 5.936 24.732 -23.184
183 HE ARG 24 HE ARG 24 6.936 25.164 -21.164
184 HH11 ARG 24 HH11 ARG 24 4.610 27.657 -21.866
185 HH12 ARG 24 HH12 ARG 24 4.704 28.370 -20.290
186 HH21 ARG 24 HH21 ARG 24 7.070 26.094 -19.085
187 HH22 ARG 24 HH22 ARG 24 6.104 27.481 -18.709
188 H ARG 25 H ARG 25 10.665 23.916 -23.521
189 HA ARG 25 HA ARG 25 12.746 25.711 -24.025
190 HB2 ARG 25 HB2 ARG 25 12.479 22.768 -23.822
191 HB3 ARG 25 HB3 ARG 25 13.903 23.360 -24.668
192 HG2 ARG 25 HG2 ARG 25 13.635 24.882 -22.301
193 HG3 ARG 25 HG3 ARG 25 13.431 23.182 -21.872
194 HD2 ARG 25 HD2 ARG 25 15.746 23.627 -21.709
195 HD3 ARG 25 HD3 ARG 25 15.525 22.725 -23.208
196 HE ARG 25 HE ARG 25 16.323 24.533 -24.345
197 HH11 ARG 25 HH11 ARG 25 15.236 25.583 -21.209
198 HH12 ARG 25 HH12 ARG 25 15.806 27.207 -21.411
199 HH21 ARG 25 HH21 ARG 25 17.078 26.667 -24.622
200 HH22 ARG 25 HH22 ARG 25 16.853 27.822 -23.353
Start of MODEL 17
1 H1 GLY 1 H GLY 1 4.000 1.619 0.582
2 HA2 GLY 1 HA2 GLY 1 5.221 1.653 -1.746
3 HA3 GLY 1 HA3 GLY 1 4.087 0.346 -2.052
4 H ALA 2 H ALA 2 4.549 3.422 -2.754
5 HA ALA 2 HA ALA 2 1.876 3.910 -3.517
6 HB1 ALA 2 HB1 ALA 2 2.343 6.091 -1.715
7 HB2 ALA 2 HB2 ALA 2 0.976 4.978 -1.793
8 HB3 ALA 2 HB3 ALA 2 2.399 4.561 -0.838
9 H TRP 3 H TRP 3 4.969 5.394 -2.641
10 HA TRP 3 HA TRP 3 4.812 7.700 -4.181
11 HB2 TRP 3 HB2 TRP 3 7.243 7.758 -4.091
12 HB3 TRP 3 HB3 TRP 3 6.601 7.234 -2.537
13 HD1 TRP 3 HD1 TRP 3 7.182 4.786 -1.730
14 HE1 TRP 3 HE1 TRP 3 8.849 3.013 -2.569
15 HE3 TRP 3 HE3 TRP 3 8.317 6.826 -6.278
16 HZ2 TRP 3 HZ2 TRP 3 10.436 2.542 -4.856
17 HZ3 TRP 3 HZ3 TRP 3 9.919 5.652 -7.731
18 HH2 TRP 3 HH2 TRP 3 10.955 3.555 -7.032
19 H LYS 4 H LYS 4 5.660 4.416 -5.107
20 HA LYS 4 HA LYS 4 6.614 5.016 -7.701
21 HB2 LYS 4 HB2 LYS 4 6.059 2.565 -8.133
22 HB3 LYS 4 HB3 LYS 4 7.199 2.901 -6.837
23 HG2 LYS 4 HG2 LYS 4 5.892 1.949 -5.313
24 HG3 LYS 4 HG3 LYS 4 4.464 2.815 -5.884
25 HD2 LYS 4 HD2 LYS 4 5.620 0.361 -7.203
26 HD3 LYS 4 HD3 LYS 4 4.270 0.344 -6.065
27 HE2 LYS 4 HE2 LYS 4 2.814 1.044 -7.616
28 HE3 LYS 4 HE3 LYS 4 3.929 2.258 -8.242
29 HZ1 LYS 4 HZ1 LYS 4 4.649 -0.469 -8.865
30 HZ2 LYS 4 HZ2 LYS 4 4.621 0.898 -9.861
31 HZ3 LYS 4 HZ3 LYS 4 3.193 0.041 -9.562
32 H ASN 5 H ASN 5 3.412 4.315 -6.416
33 HA ASN 5 HA ASN 5 2.121 4.099 -8.942
34 HB2 ASN 5 HB2 ASN 5 0.971 4.736 -6.215
35 HB3 ASN 5 HB3 ASN 5 0.029 4.304 -7.639
36 HD21 ASN 5 HD21 ASN 5 2.332 3.159 -5.274
37 HD22 ASN 5 HD22 ASN 5 2.031 1.475 -5.513
38 H PHE 6 H PHE 6 2.888 6.752 -6.803
39 HA PHE 6 HA PHE 6 1.206 8.640 -8.186
40 HB2 PHE 6 HB2 PHE 6 1.479 9.195 -5.935
41 HB3 PHE 6 HB3 PHE 6 3.199 8.820 -5.950
42 HD1 PHE 6 HD1 PHE 6 0.774 11.186 -7.506
43 HD2 PHE 6 HD2 PHE 6 4.698 10.561 -5.980
44 HE1 PHE 6 HE1 PHE 6 1.283 13.569 -7.848
45 HE2 PHE 6 HE2 PHE 6 5.213 12.943 -6.318
46 HZ PHE 6 HZ PHE 6 3.504 14.451 -7.252
47 H TRP 7 H TRP 7 4.712 8.116 -7.880
48 HA TRP 7 HA TRP 7 5.508 10.146 -9.642
49 HB2 TRP 7 HB2 TRP 7 6.754 7.801 -8.380
50 HB3 TRP 7 HB3 TRP 7 7.480 8.265 -9.916
51 HD1 TRP 7 HD1 TRP 7 7.956 8.874 -6.407
52 HE1 TRP 7 HE1 TRP 7 9.182 11.093 -5.966
53 HE3 TRP 7 HE3 TRP 7 7.386 11.043 -11.002
54 HZ2 TRP 7 HZ2 TRP 7 9.823 13.452 -7.379
55 HZ3 TRP 7 HZ3 TRP 7 8.335 13.282 -11.374
56 HH2 TRP 7 HH2 TRP 7 9.527 14.460 -9.599
57 H SER 8 H SER 8 5.132 6.651 -10.246
58 HA SER 8 HA SER 8 5.723 6.673 -12.962
59 HB2 SER 8 HB2 SER 8 5.478 4.620 -11.585
60 HB3 SER 8 HB3 SER 8 3.733 4.871 -11.561
61 HG SER 8 HG SER 8 5.329 3.851 -13.536
62 H SER 9 H SER 9 2.710 7.374 -11.290
63 HA SER 9 HA SER 9 0.954 7.353 -13.450
64 HB2 SER 9 HB2 SER 9 0.173 7.538 -11.144
65 HB3 SER 9 HB3 SER 9 0.918 9.130 -10.998
66 HG SER 9 HG SER 9 -1.217 8.396 -12.718
67 H LEU 10 H LEU 10 3.230 9.800 -12.388
68 HA LEU 10 HA LEU 10 2.264 11.748 -14.304
69 HB2 LEU 10 HB2 LEU 10 4.723 11.837 -12.563
70 HB3 LEU 10 HB3 LEU 10 4.004 13.188 -13.437
71 HG LEU 10 HG LEU 10 2.071 12.022 -11.656
72 HD11 LEU 10 HD11 LEU 10 4.488 11.574 -10.597
73 HD12 LEU 10 HD12 LEU 10 3.071 11.984 -9.631
74 HD13 LEU 10 HD13 LEU 10 4.238 13.235 -10.059
75 HD21 LEU 10 HD21 LEU 10 2.390 14.389 -12.737
76 HD22 LEU 10 HD22 LEU 10 3.323 14.701 -11.273
77 HD23 LEU 10 HD23 LEU 10 1.630 14.218 -11.155
78 H ARG 11 H ARG 11 4.961 9.524 -13.932
79 HA ARG 11 HA ARG 11 6.681 10.391 -15.896
80 HB2 ARG 11 HB2 ARG 11 6.204 7.932 -14.466
81 HB3 ARG 11 HB3 ARG 11 6.638 7.591 -16.136
82 HG2 ARG 11 HG2 ARG 11 8.480 9.484 -15.452
83 HG3 ARG 11 HG3 ARG 11 8.270 8.602 -13.937
84 HD2 ARG 11 HD2 ARG 11 8.462 6.853 -16.258
85 HD3 ARG 11 HD3 ARG 11 9.891 7.863 -16.041
86 HE ARG 11 HE ARG 11 9.009 5.705 -14.344
87 HH11 ARG 11 HH11 ARG 11 10.953 8.583 -14.582
88 HH12 ARG 11 HH12 ARG 11 12.009 8.136 -13.283
89 HH21 ARG 11 HH21 ARG 11 10.392 5.105 -12.631
90 HH22 ARG 11 HH22 ARG 11 11.689 6.156 -12.175
91 H LYS 12 H LYS 12 3.872 8.249 -16.279
92 HA LYS 12 HA LYS 12 4.090 7.683 -18.975
93 HB2 LYS 12 HB2 LYS 12 1.529 8.185 -17.449
94 HB3 LYS 12 HB3 LYS 12 1.680 7.283 -18.951
95 HG2 LYS 12 HG2 LYS 12 2.908 5.548 -17.870
96 HG3 LYS 12 HG3 LYS 12 3.035 6.491 -16.384
97 HD2 LYS 12 HD2 LYS 12 0.420 6.466 -16.499
98 HD3 LYS 12 HD3 LYS 12 0.679 5.058 -17.532
99 HE2 LYS 12 HE2 LYS 12 2.319 4.958 -15.148
100 HE3 LYS 12 HE3 LYS 12 0.608 5.104 -14.753
101 HZ1 LYS 12 HZ1 LYS 12 1.934 2.992 -16.346
102 HZ2 LYS 12 HZ2 LYS 12 0.258 3.218 -16.368
103 HZ3 LYS 12 HZ3 LYS 12 1.038 2.819 -14.921
104 H GLY 13 H GLY 13 2.995 10.611 -17.405
105 HA2 GLY 13 HA2 GLY 13 1.945 11.759 -19.844
106 HA3 GLY 13 HA3 GLY 13 2.088 12.562 -18.287
107 H PHE 14 H PHE 14 4.942 11.856 -18.048
108 HA PHE 14 HA PHE 14 5.980 14.128 -19.477
109 HB2 PHE 14 HB2 PHE 14 7.283 12.135 -17.616
110 HB3 PHE 14 HB3 PHE 14 8.126 13.508 -18.323
111 HD1 PHE 14 HD1 PHE 14 6.463 15.748 -18.081
112 HD2 PHE 14 HD2 PHE 14 6.824 12.461 -15.401
113 HE1 PHE 14 HE1 PHE 14 5.692 17.175 -16.232
114 HE2 PHE 14 HE2 PHE 14 6.052 13.883 -13.547
115 HZ PHE 14 HZ PHE 14 5.484 16.243 -13.961
116 H TYR 15 H TYR 15 5.968 10.685 -19.864
117 HA TYR 15 HA TYR 15 8.204 10.473 -21.598
118 HB2 TYR 15 HB2 TYR 15 6.251 8.718 -20.470
119 HB3 TYR 15 HB3 TYR 15 6.321 8.432 -22.205
120 HD1 TYR 15 HD1 TYR 15 8.943 8.515 -23.064
121 HD2 TYR 15 HD2 TYR 15 7.560 7.294 -19.230
122 HE1 TYR 15 HE1 TYR 15 10.980 7.169 -22.765
123 HE2 TYR 15 HE2 TYR 15 9.594 5.946 -18.919
124 HH TYR 15 HH TYR 15 11.888 5.458 -21.511
125 H ASP 16 H ASP 16 4.901 11.410 -22.048
126 HA ASP 16 HA ASP 16 4.632 10.921 -24.802
127 HB2 ASP 16 HB2 ASP 16 3.343 13.027 -23.056
128 HB3 ASP 16 HB3 ASP 16 2.848 12.669 -24.708
129 H GLY 17 H GLY 17 6.311 13.390 -23.041
130 HA2 GLY 17 HA2 GLY 17 8.077 14.294 -24.758
131 HA3 GLY 17 HA3 GLY 17 6.637 15.028 -25.447
132 H GLU 18 H GLU 18 5.589 15.234 -22.575
133 HA GLU 18 HA GLU 18 6.186 17.920 -22.149
134 HB2 GLU 18 HB2 GLU 18 5.209 15.823 -20.206
135 HB3 GLU 18 HB3 GLU 18 5.255 17.545 -19.852
136 HG2 GLU 18 HG2 GLU 18 3.625 18.026 -21.488
137 HG3 GLU 18 HG3 GLU 18 3.752 16.414 -22.191
138 H ALA 19 H ALA 19 7.933 15.075 -21.263
139 HA ALA 19 HA ALA 19 9.422 15.958 -19.088
140 HB1 ALA 19 HB1 ALA 19 11.220 14.379 -20.192
141 HB2 ALA 19 HB2 ALA 19 9.741 13.730 -19.482
142 HB3 ALA 19 HB3 ALA 19 9.862 13.942 -21.229
143 H GLY 20 H GLY 20 9.621 16.845 -22.430
144 HA2 GLY 20 HA2 GLY 20 11.965 18.525 -21.789
145 HA3 GLY 20 HA3 GLY 20 11.837 17.671 -23.320
146 H ARG 21 H ARG 21 9.188 18.116 -23.967
147 HA ARG 21 HA ARG 21 9.278 20.601 -25.208
148 HB2 ARG 21 HB2 ARG 21 7.684 18.463 -25.465
149 HB3 ARG 21 HB3 ARG 21 6.604 19.494 -24.536
150 HG2 ARG 21 HG2 ARG 21 7.512 21.204 -26.463
151 HG3 ARG 21 HG3 ARG 21 7.428 19.668 -27.328
152 HD2 ARG 21 HD2 ARG 21 5.312 20.656 -27.607
153 HD3 ARG 21 HD3 ARG 21 5.093 19.424 -26.365
154 HE ARG 21 HE ARG 21 5.681 21.906 -25.161
155 HH11 ARG 21 HH11 ARG 21 3.134 20.242 -26.853
156 HH12 ARG 21 HH12 ARG 21 1.863 21.141 -26.090
157 HH21 ARG 21 HH21 ARG 21 4.018 23.095 -24.150
158 HH22 ARG 21 HH22 ARG 21 2.367 22.764 -24.554
159 H ALA 22 H ALA 22 7.788 19.651 -22.146
160 HA ALA 22 HA ALA 22 6.635 22.226 -21.652
161 HB1 ALA 22 HB1 ALA 22 6.407 19.658 -20.544
162 HB2 ALA 22 HB2 ALA 22 6.988 20.704 -19.248
163 HB3 ALA 22 HB3 ALA 22 5.502 21.107 -20.108
164 H ILE 23 H ILE 23 9.772 21.141 -21.593
165 HA ILE 23 HA ILE 23 10.601 22.817 -19.347
166 HB ILE 23 HB ILE 23 12.473 21.271 -21.115
167 HG12 ILE 23 HG12 ILE 23 10.753 19.683 -20.445
168 HG13 ILE 23 HG13 ILE 23 12.237 19.365 -19.553
169 HG21 ILE 23 HG21 ILE 23 12.686 22.832 -18.722
170 HG22 ILE 23 HG22 ILE 23 13.196 21.175 -18.404
171 HG23 ILE 23 HG23 ILE 23 13.963 22.101 -19.694
172 HD11 ILE 23 HD11 ILE 23 10.952 19.338 -17.743
173 HD12 ILE 23 HD12 ILE 23 10.875 21.093 -17.907
174 HD13 ILE 23 HD13 ILE 23 9.599 20.087 -18.591
175 H ARG 24 H ARG 24 9.533 23.885 -21.921
176 HA ARG 24 HA ARG 24 11.659 25.017 -23.410
177 HB2 ARG 24 HB2 ARG 24 8.770 25.119 -23.406
178 HB3 ARG 24 HB3 ARG 24 9.446 26.723 -23.658
179 HG2 ARG 24 HG2 ARG 24 10.152 26.233 -25.722
180 HG3 ARG 24 HG3 ARG 24 10.722 24.630 -25.251
181 HD2 ARG 24 HD2 ARG 24 7.863 24.707 -25.128
182 HD3 ARG 24 HD3 ARG 24 8.399 25.293 -26.702
183 HE ARG 24 HE ARG 24 8.616 22.607 -25.678
184 HH11 ARG 24 HH11 ARG 24 9.817 24.924 -27.983
185 HH12 ARG 24 HH12 ARG 24 10.417 23.721 -29.076
186 HH21 ARG 24 HH21 ARG 24 9.403 21.014 -27.108
187 HH22 ARG 24 HH22 ARG 24 10.181 21.497 -28.577
188 H ARG 25 H ARG 25 10.077 25.910 -20.458
189 HA ARG 25 HA ARG 25 10.849 28.652 -20.444
190 HB2 ARG 25 HB2 ARG 25 10.219 28.603 -18.074
191 HB3 ARG 25 HB3 ARG 25 8.992 27.842 -19.078
192 HG2 ARG 25 HG2 ARG 25 10.281 25.650 -18.472
193 HG3 ARG 25 HG3 ARG 25 10.864 26.616 -17.116
194 HD2 ARG 25 HD2 ARG 25 8.980 25.773 -16.161
195 HD3 ARG 25 HD3 ARG 25 8.283 27.202 -16.922
196 HE ARG 25 HE ARG 25 8.079 25.230 -18.808
197 HH11 ARG 25 HH11 ARG 25 7.011 25.645 -15.521
198 HH12 ARG 25 HH12 ARG 25 5.601 24.657 -15.717
199 HH21 ARG 25 HH21 ARG 25 6.226 23.928 -19.079
200 HH22 ARG 25 HH22 ARG 25 5.156 23.681 -17.741
Start of MODEL 18
1 H1 GLY 1 H GLY 1 2.929 -0.539 -1.340
2 HA2 GLY 1 HA2 GLY 1 2.327 1.196 0.541
3 HA3 GLY 1 HA3 GLY 1 3.642 2.073 -0.227
4 H ALA 2 H ALA 2 3.266 3.194 -2.073
5 HA ALA 2 HA ALA 2 1.203 2.717 -3.906
6 HB1 ALA 2 HB1 ALA 2 0.434 4.260 -1.541
7 HB2 ALA 2 HB2 ALA 2 0.045 5.042 -3.074
8 HB3 ALA 2 HB3 ALA 2 -0.567 3.424 -2.728
9 H TRP 3 H TRP 3 3.289 5.072 -2.342
10 HA TRP 3 HA TRP 3 3.315 7.107 -4.205
11 HB2 TRP 3 HB2 TRP 3 5.673 7.523 -3.438
12 HB3 TRP 3 HB3 TRP 3 4.496 7.369 -2.135
13 HD1 TRP 3 HD1 TRP 3 4.848 5.439 -0.404
14 HE1 TRP 3 HE1 TRP 3 6.699 3.688 -0.042
15 HE3 TRP 3 HE3 TRP 3 7.388 6.020 -4.803
16 HZ2 TRP 3 HZ2 TRP 3 8.940 2.686 -1.436
17 HZ3 TRP 3 HZ3 TRP 3 9.375 4.627 -5.211
18 HH2 TRP 3 HH2 TRP 3 10.133 2.995 -3.561
19 H LYS 4 H LYS 4 4.755 3.939 -4.389
20 HA LYS 4 HA LYS 4 6.563 4.416 -6.500
21 HB2 LYS 4 HB2 LYS 4 6.510 1.970 -6.825
22 HB3 LYS 4 HB3 LYS 4 6.717 2.414 -5.136
23 HG2 LYS 4 HG2 LYS 4 4.066 2.182 -5.165
24 HG3 LYS 4 HG3 LYS 4 4.451 1.076 -6.486
25 HD2 LYS 4 HD2 LYS 4 5.590 0.957 -3.693
26 HD3 LYS 4 HD3 LYS 4 4.330 -0.096 -4.340
27 HE2 LYS 4 HE2 LYS 4 6.042 -1.462 -4.837
28 HE3 LYS 4 HE3 LYS 4 6.272 -0.386 -6.214
29 HZ1 LYS 4 HZ1 LYS 4 7.975 -0.838 -3.984
30 HZ2 LYS 4 HZ2 LYS 4 7.604 0.806 -4.127
31 HZ3 LYS 4 HZ3 LYS 4 8.299 -0.021 -5.429
32 H ASN 5 H ASN 5 3.191 3.311 -6.476
33 HA ASN 5 HA ASN 5 3.003 3.013 -9.297
34 HB2 ASN 5 HB2 ASN 5 0.797 3.412 -7.263
35 HB3 ASN 5 HB3 ASN 5 0.586 2.830 -8.912
36 HD21 ASN 5 HD21 ASN 5 1.536 2.046 -5.702
37 HD22 ASN 5 HD22 ASN 5 1.762 0.351 -5.951
38 H PHE 6 H PHE 6 2.407 5.654 -7.067
39 HA PHE 6 HA PHE 6 1.088 7.341 -8.948
40 HB2 PHE 6 HB2 PHE 6 0.682 7.805 -6.658
41 HB3 PHE 6 HB3 PHE 6 2.401 7.846 -6.282
42 HD1 PHE 6 HD1 PHE 6 -0.168 9.611 -8.316
43 HD2 PHE 6 HD2 PHE 6 3.489 9.877 -6.155
44 HE1 PHE 6 HE1 PHE 6 -0.165 12.051 -8.629
45 HE2 PHE 6 HE2 PHE 6 3.498 12.318 -6.464
46 HZ PHE 6 HZ PHE 6 1.669 13.408 -7.701
47 H TRP 7 H TRP 7 4.402 7.261 -7.658
48 HA TRP 7 HA TRP 7 5.471 9.410 -9.018
49 HB2 TRP 7 HB2 TRP 7 6.521 6.981 -7.756
50 HB3 TRP 7 HB3 TRP 7 7.547 7.606 -9.044
51 HD1 TRP 7 HD1 TRP 7 7.185 7.893 -5.472
52 HE1 TRP 7 HE1 TRP 7 8.207 10.077 -4.572
53 HE3 TRP 7 HE3 TRP 7 7.627 10.456 -9.873
54 HZ2 TRP 7 HZ2 TRP 7 9.084 12.558 -5.592
55 HZ3 TRP 7 HZ3 TRP 7 8.567 12.729 -9.824
56 HH2 TRP 7 HH2 TRP 7 9.279 13.757 -7.727
57 H SER 8 H SER 8 5.337 6.022 -10.105
58 HA SER 8 HA SER 8 6.502 6.517 -12.635
59 HB2 SER 8 HB2 SER 8 6.215 4.274 -13.028
60 HB3 SER 8 HB3 SER 8 6.024 4.268 -11.275
61 HG SER 8 HG SER 8 3.991 3.766 -11.502
62 H SER 9 H SER 9 3.196 6.542 -11.457
63 HA SER 9 HA SER 9 1.825 6.541 -13.883
64 HB2 SER 9 HB2 SER 9 0.739 6.326 -11.665
65 HB3 SER 9 HB3 SER 9 1.068 8.031 -11.357
66 HG SER 9 HG SER 9 -1.083 7.389 -12.259
67 H LEU 10 H LEU 10 3.750 8.989 -12.408
68 HA LEU 10 HA LEU 10 2.642 11.147 -13.988
69 HB2 LEU 10 HB2 LEU 10 5.133 11.120 -12.294
70 HB3 LEU 10 HB3 LEU 10 4.294 12.540 -12.916
71 HG LEU 10 HG LEU 10 2.638 10.811 -11.223
72 HD11 LEU 10 HD11 LEU 10 3.731 10.965 -9.244
73 HD12 LEU 10 HD12 LEU 10 4.565 12.453 -9.690
74 HD13 LEU 10 HD13 LEU 10 5.138 10.904 -10.306
75 HD21 LEU 10 HD21 LEU 10 2.511 13.352 -12.175
76 HD22 LEU 10 HD22 LEU 10 3.107 13.625 -10.537
77 HD23 LEU 10 HD23 LEU 10 1.596 12.751 -10.792
78 H ARG 11 H ARG 11 5.387 8.981 -14.068
79 HA ARG 11 HA ARG 11 6.981 10.324 -15.937
80 HB2 ARG 11 HB2 ARG 11 8.269 8.440 -15.959
81 HB3 ARG 11 HB3 ARG 11 7.333 8.103 -14.510
82 HG2 ARG 11 HG2 ARG 11 5.714 6.933 -16.213
83 HG3 ARG 11 HG3 ARG 11 7.172 6.861 -17.206
84 HD2 ARG 11 HD2 ARG 11 6.768 5.719 -14.448
85 HD3 ARG 11 HD3 ARG 11 7.024 4.831 -15.949
86 HE ARG 11 HE ARG 11 9.165 6.628 -15.236
87 HH11 ARG 11 HH11 ARG 11 7.873 3.408 -14.949
88 HH12 ARG 11 HH12 ARG 11 9.406 2.684 -14.591
89 HH21 ARG 11 HH21 ARG 11 11.189 5.687 -14.765
90 HH22 ARG 11 HH22 ARG 11 11.291 3.982 -14.486
91 H LYS 12 H LYS 12 4.035 8.562 -16.309
92 HA LYS 12 HA LYS 12 4.298 7.994 -19.094
93 HB2 LYS 12 HB2 LYS 12 1.723 8.244 -17.539
94 HB3 LYS 12 HB3 LYS 12 2.002 7.321 -19.010
95 HG2 LYS 12 HG2 LYS 12 3.352 5.735 -17.845
96 HG3 LYS 12 HG3 LYS 12 3.341 6.724 -16.383
97 HD2 LYS 12 HD2 LYS 12 0.821 6.446 -16.383
98 HD3 LYS 12 HD3 LYS 12 1.053 5.213 -17.625
99 HE2 LYS 12 HE2 LYS 12 2.188 3.791 -16.171
100 HE3 LYS 12 HE3 LYS 12 2.562 5.090 -15.040
101 HZ1 LYS 12 HZ1 LYS 12 -0.242 4.788 -15.327
102 HZ2 LYS 12 HZ2 LYS 12 0.705 4.684 -13.929
103 HZ3 LYS 12 HZ3 LYS 12 0.462 3.313 -14.890
104 H GLY 13 H GLY 13 3.268 10.741 -17.237
105 HA2 GLY 13 HA2 GLY 13 1.985 12.020 -19.511
106 HA3 GLY 13 HA3 GLY 13 2.146 12.685 -17.893
107 H PHE 14 H PHE 14 5.034 12.156 -17.799
108 HA PHE 14 HA PHE 14 5.882 14.592 -19.079
109 HB2 PHE 14 HB2 PHE 14 7.208 12.592 -17.268
110 HB3 PHE 14 HB3 PHE 14 8.151 13.843 -18.071
111 HD1 PHE 14 HD2 PHE 14 7.048 16.277 -17.842
112 HD2 PHE 14 HD1 PHE 14 6.490 13.033 -15.144
113 HE1 PHE 14 HE2 PHE 14 6.456 17.866 -16.059
114 HE2 PHE 14 HE1 PHE 14 5.895 14.617 -13.357
115 HZ PHE 14 HZ PHE 14 5.879 17.037 -13.813
116 H TYR 15 H TYR 15 6.176 11.168 -19.652
117 HA TYR 15 HA TYR 15 8.332 11.265 -21.486
118 HB2 TYR 15 HB2 TYR 15 6.271 9.271 -20.708
119 HB3 TYR 15 HB3 TYR 15 7.053 9.041 -22.268
120 HD1 TYR 15 HD1 TYR 15 8.495 10.352 -19.094
121 HD2 TYR 15 HD2 TYR 15 8.448 7.199 -21.951
122 HE1 TYR 15 HE1 TYR 15 10.420 9.312 -17.970
123 HE2 TYR 15 HE2 TYR 15 10.371 6.150 -20.834
124 HH TYR 15 HH TYR 15 12.311 6.992 -19.333
125 H ASP 16 H ASP 16 4.937 11.900 -21.764
126 HA ASP 16 HA ASP 16 4.606 11.543 -24.531
127 HB2 ASP 16 HB2 ASP 16 3.191 13.273 -22.511
128 HB3 ASP 16 HB3 ASP 16 2.724 13.258 -24.210
129 H GLY 17 H GLY 17 6.107 14.065 -22.684
130 HA2 GLY 17 HA2 GLY 17 7.708 15.227 -24.415
131 HA3 GLY 17 HA3 GLY 17 6.175 15.864 -24.993
132 H GLU 18 H GLU 18 5.253 15.795 -22.071
133 HA GLU 18 HA GLU 18 5.662 18.500 -21.502
134 HB2 GLU 18 HB2 GLU 18 4.953 16.297 -19.556
135 HB3 GLU 18 HB3 GLU 18 4.698 18.018 -19.308
136 HG2 GLU 18 HG2 GLU 18 3.457 17.337 -21.748
137 HG3 GLU 18 HG3 GLU 18 2.997 16.116 -20.564
138 H ALA 19 H ALA 19 7.650 15.761 -20.909
139 HA ALA 19 HA ALA 19 9.107 16.530 -18.674
140 HB1 ALA 19 HB1 ALA 19 9.405 14.345 -19.563
141 HB2 ALA 19 HB2 ALA 19 9.955 14.982 -21.113
142 HB3 ALA 19 HB3 ALA 19 10.961 15.168 -19.676
143 H GLY 20 H GLY 20 9.146 17.807 -21.895
144 HA2 GLY 20 HA2 GLY 20 11.276 19.673 -21.068
145 HA3 GLY 20 HA3 GLY 20 11.310 18.922 -22.656
146 H ARG 21 H ARG 21 8.479 19.074 -23.126
147 HA ARG 21 HA ARG 21 8.290 21.513 -24.422
148 HB2 ARG 21 HB2 ARG 21 6.853 19.550 -24.885
149 HB3 ARG 21 HB3 ARG 21 5.999 19.842 -23.375
150 HG2 ARG 21 HG2 ARG 21 4.791 20.670 -25.357
151 HG3 ARG 21 HG3 ARG 21 5.163 21.941 -24.190
152 HD2 ARG 21 HD2 ARG 21 5.579 22.686 -26.479
153 HD3 ARG 21 HD3 ARG 21 7.070 22.636 -25.540
154 HE ARG 21 HE ARG 21 6.889 20.200 -26.824
155 HH11 ARG 21 HH11 ARG 21 7.080 23.555 -27.736
156 HH12 ARG 21 HH12 ARG 21 7.893 23.237 -29.232
157 HH21 ARG 21 HH21 ARG 21 7.959 19.769 -28.792
158 HH22 ARG 21 HH22 ARG 21 8.392 21.083 -29.832
159 H ALA 22 H ALA 22 7.570 20.692 -21.115
160 HA ALA 22 HA ALA 22 5.940 22.850 -20.407
161 HB1 ALA 22 HB1 ALA 22 6.332 22.270 -18.189
162 HB2 ALA 22 HB2 ALA 22 6.582 20.754 -19.056
163 HB3 ALA 22 HB3 ALA 22 7.969 21.705 -18.524
164 H ILE 23 H ILE 23 9.288 22.734 -21.166
165 HA ILE 23 HA ILE 23 10.067 25.089 -19.738
166 HB ILE 23 HB ILE 23 11.416 23.710 -22.062
167 HG12 ILE 23 HG12 ILE 23 12.532 23.544 -19.331
168 HG13 ILE 23 HG13 ILE 23 11.017 22.683 -19.578
169 HG21 ILE 23 HG21 ILE 23 12.417 25.773 -22.080
170 HG22 ILE 23 HG22 ILE 23 12.174 26.027 -20.352
171 HG23 ILE 23 HG23 ILE 23 13.435 24.929 -20.913
172 HD11 ILE 23 HD11 ILE 23 12.431 21.027 -20.156
173 HD12 ILE 23 HD12 ILE 23 12.348 21.827 -21.726
174 HD13 ILE 23 HD13 ILE 23 13.709 22.138 -20.648
175 H ARG 24 H ARG 24 8.511 24.463 -22.740
176 HA ARG 24 HA ARG 24 7.854 25.784 -24.478
177 HB2 ARG 24 HB2 ARG 24 7.680 27.504 -22.060
178 HB3 ARG 24 HB3 ARG 24 7.523 28.297 -23.622
179 HG2 ARG 24 HG2 ARG 24 5.335 27.811 -23.020
180 HG3 ARG 24 HG3 ARG 24 5.759 26.509 -24.132
181 HD2 ARG 24 HD2 ARG 24 6.494 25.305 -21.908
182 HD3 ARG 24 HD3 ARG 24 5.357 26.440 -21.182
183 HE ARG 24 HE ARG 24 4.309 24.982 -23.436
184 HH11 ARG 24 HH11 ARG 24 4.770 25.024 -19.986
185 HH12 ARG 24 HH12 ARG 24 3.462 23.933 -19.666
186 HH21 ARG 24 HH21 ARG 24 2.585 23.545 -23.029
187 HH22 ARG 24 HH22 ARG 24 2.220 23.092 -21.398
188 H ARG 25 H ARG 25 10.162 25.362 -25.221
189 HA ARG 25 HA ARG 25 12.063 27.480 -25.045
190 HB2 ARG 25 HB2 ARG 25 11.848 24.981 -26.698
191 HB3 ARG 25 HB3 ARG 25 13.105 26.167 -27.024
192 HG2 ARG 25 HG2 ARG 25 13.654 25.938 -24.513
193 HG3 ARG 25 HG3 ARG 25 12.718 24.445 -24.613
194 HD2 ARG 25 HD2 ARG 25 14.336 23.373 -25.733
195 HD3 ARG 25 HD3 ARG 25 14.662 24.761 -26.770
196 HE ARG 25 HE ARG 25 16.398 25.317 -25.398
197 HH11 ARG 25 HH11 ARG 25 14.265 23.161 -23.688
198 HH12 ARG 25 HH12 ARG 25 15.310 23.006 -22.315
199 HH21 ARG 25 HH21 ARG 25 17.783 25.121 -23.595
200 HH22 ARG 25 HH22 ARG 25 17.310 24.123 -22.263
Start of MODEL 19
1 H1 GLY 1 H GLY 1 3.104 -0.425 0.130
2 HA2 GLY 1 HA2 GLY 1 3.310 1.884 -0.388
3 HA3 GLY 1 HA3 GLY 1 4.751 1.160 -1.087
4 H ALA 2 H ALA 2 1.439 2.160 -1.805
5 HA ALA 2 HA ALA 2 1.538 1.806 -4.588
6 HB1 ALA 2 HB1 ALA 2 -0.487 2.271 -3.093
7 HB2 ALA 2 HB2 ALA 2 -0.059 3.974 -3.266
8 HB3 ALA 2 HB3 ALA 2 -0.458 3.016 -4.692
9 H TRP 3 H TRP 3 3.073 4.091 -2.577
10 HA TRP 3 HA TRP 3 3.215 6.381 -4.106
11 HB2 TRP 3 HB2 TRP 3 5.467 6.728 -3.034
12 HB3 TRP 3 HB3 TRP 3 4.162 6.366 -1.908
13 HD1 TRP 3 HD1 TRP 3 4.390 4.214 -0.439
14 HE1 TRP 3 HE1 TRP 3 6.249 2.462 -0.123
15 HE3 TRP 3 HE3 TRP 3 7.369 5.468 -4.399
16 HZ2 TRP 3 HZ2 TRP 3 8.659 1.711 -1.385
17 HZ3 TRP 3 HZ3 TRP 3 9.434 4.184 -4.775
18 HH2 TRP 3 HH2 TRP 3 10.064 2.345 -3.297
19 H LYS 4 H LYS 4 4.797 3.315 -4.597
20 HA LYS 4 HA LYS 4 6.808 4.131 -6.385
21 HB2 LYS 4 HB2 LYS 4 6.861 1.777 -7.099
22 HB3 LYS 4 HB3 LYS 4 6.822 1.927 -5.347
23 HG2 LYS 4 HG2 LYS 4 4.222 1.683 -5.739
24 HG3 LYS 4 HG3 LYS 4 4.767 0.876 -7.211
25 HD2 LYS 4 HD2 LYS 4 5.602 0.170 -4.397
26 HD3 LYS 4 HD3 LYS 4 4.434 -0.717 -5.380
27 HE2 LYS 4 HE2 LYS 4 6.615 -0.574 -7.033
28 HE3 LYS 4 HE3 LYS 4 7.357 -0.745 -5.443
29 HZ1 LYS 4 HZ1 LYS 4 5.442 -2.595 -5.317
30 HZ2 LYS 4 HZ2 LYS 4 7.021 -2.915 -5.832
31 HZ3 LYS 4 HZ3 LYS 4 5.797 -2.651 -6.970
32 H ASN 5 H ASN 5 3.483 3.024 -6.948
33 HA ASN 5 HA ASN 5 3.638 3.214 -9.782
34 HB2 ASN 5 HB2 ASN 5 1.198 3.221 -7.991
35 HB3 ASN 5 HB3 ASN 5 1.200 2.936 -9.729
36 HD21 ASN 5 HD21 ASN 5 1.762 1.606 -6.616
37 HD22 ASN 5 HD22 ASN 5 2.085 -0.013 -7.124
38 H PHE 6 H PHE 6 2.632 5.403 -7.221
39 HA PHE 6 HA PHE 6 1.428 7.368 -8.833
40 HB2 PHE 6 HB2 PHE 6 0.992 7.518 -6.523
41 HB3 PHE 6 HB3 PHE 6 2.701 7.436 -6.108
42 HD1 PHE 6 HD2 PHE 6 0.182 9.597 -7.771
43 HD2 PHE 6 HD1 PHE 6 3.917 9.379 -5.743
44 HE1 PHE 6 HE2 PHE 6 0.273 12.054 -7.685
45 HE2 PHE 6 HE1 PHE 6 4.015 11.836 -5.652
46 HZ PHE 6 HZ PHE 6 2.192 13.177 -6.625
47 H TRP 7 H TRP 7 4.753 7.045 -7.633
48 HA TRP 7 HA TRP 7 5.829 9.403 -8.578
49 HB2 TRP 7 HB2 TRP 7 6.870 6.752 -7.856
50 HB3 TRP 7 HB3 TRP 7 7.882 7.635 -8.996
51 HD1 TRP 7 HD1 TRP 7 7.543 7.165 -5.435
52 HE1 TRP 7 HE1 TRP 7 8.598 9.102 -4.107
53 HE3 TRP 7 HE3 TRP 7 8.001 10.582 -9.210
54 HZ2 TRP 7 HZ2 TRP 7 9.503 11.730 -4.596
55 HZ3 TRP 7 HZ3 TRP 7 8.971 12.784 -8.696
56 HH2 TRP 7 HH2 TRP 7 9.705 13.345 -6.436
57 H SER 8 H SER 8 5.721 6.276 -10.289
58 HA SER 8 HA SER 8 6.776 7.293 -12.711
59 HB2 SER 8 HB2 SER 8 6.235 5.164 -13.662
60 HB3 SER 8 HB3 SER 8 6.730 4.865 -11.996
61 HG SER 8 HG SER 8 4.863 3.720 -12.354
62 H SER 9 H SER 9 3.551 7.077 -11.398
63 HA SER 9 HA SER 9 2.052 7.401 -13.735
64 HB2 SER 9 HB2 SER 9 1.215 6.872 -11.378
65 HB3 SER 9 HB3 SER 9 1.296 8.607 -11.074
66 HG SER 9 HG SER 9 -0.616 7.223 -12.320
67 H LEU 10 H LEU 10 4.074 9.604 -12.060
68 HA LEU 10 HA LEU 10 2.832 11.998 -13.066
69 HB2 LEU 10 HB2 LEU 10 5.558 11.610 -11.839
70 HB3 LEU 10 HB3 LEU 10 4.747 13.152 -12.105
71 HG LEU 10 HG LEU 10 3.274 11.222 -10.436
72 HD11 LEU 10 HD11 LEU 10 5.905 11.247 -9.911
73 HD12 LEU 10 HD12 LEU 10 4.667 11.087 -8.666
74 HD13 LEU 10 HD13 LEU 10 5.401 12.659 -8.982
75 HD21 LEU 10 HD21 LEU 10 2.894 13.774 -11.033
76 HD22 LEU 10 HD22 LEU 10 3.950 14.002 -9.639
77 HD23 LEU 10 HD23 LEU 10 2.439 13.107 -9.464
78 H ARG 11 H ARG 11 5.853 10.242 -13.747
79 HA ARG 11 HA ARG 11 6.725 11.897 -15.839
80 HB2 ARG 11 HB2 ARG 11 8.236 10.098 -16.425
81 HB3 ARG 11 HB3 ARG 11 8.155 10.246 -14.675
82 HG2 ARG 11 HG2 ARG 11 6.977 8.270 -14.430
83 HG3 ARG 11 HG3 ARG 11 6.410 8.286 -16.101
84 HD2 ARG 11 HD2 ARG 11 8.132 7.031 -16.723
85 HD3 ARG 11 HD3 ARG 11 9.259 8.234 -16.099
86 HE ARG 11 HE ARG 11 8.503 5.759 -14.854
87 HH11 ARG 11 HH11 ARG 11 9.715 8.978 -14.313
88 HH12 ARG 11 HH12 ARG 11 10.495 8.573 -12.819
89 HH21 ARG 11 HH21 ARG 11 9.526 5.214 -12.889
90 HH22 ARG 11 HH22 ARG 11 10.387 6.432 -12.011
91 H LYS 12 H LYS 12 4.279 9.479 -15.712
92 HA LYS 12 HA LYS 12 4.146 8.545 -18.304
93 HB2 LYS 12 HB2 LYS 12 1.997 9.155 -16.289
94 HB3 LYS 12 HB3 LYS 12 1.607 8.488 -17.869
95 HG2 LYS 12 HG2 LYS 12 3.400 6.697 -17.220
96 HG3 LYS 12 HG3 LYS 12 3.035 7.232 -15.578
97 HD2 LYS 12 HD2 LYS 12 0.544 6.932 -16.435
98 HD3 LYS 12 HD3 LYS 12 1.323 5.799 -17.542
99 HE2 LYS 12 HE2 LYS 12 1.897 4.354 -15.874
100 HE3 LYS 12 HE3 LYS 12 2.052 5.633 -14.671
101 HZ1 LYS 12 HZ1 LYS 12 0.158 4.465 -14.043
102 HZ2 LYS 12 HZ2 LYS 12 -0.403 4.300 -15.630
103 HZ3 LYS 12 HZ3 LYS 12 -0.468 5.806 -14.862
104 H GLY 13 H GLY 13 3.212 11.672 -17.035
105 HA2 GLY 13 HA2 GLY 13 2.017 12.446 -19.588
106 HA3 GLY 13 HA3 GLY 13 2.010 13.394 -18.109
107 H PHE 14 H PHE 14 4.924 12.946 -17.733
108 HA PHE 14 HA PHE 14 5.818 15.247 -19.159
109 HB2 PHE 14 HB2 PHE 14 7.147 13.281 -17.313
110 HB3 PHE 14 HB3 PHE 14 8.086 14.513 -18.150
111 HD1 PHE 14 HD2 PHE 14 7.351 16.952 -17.842
112 HD2 PHE 14 HD1 PHE 14 6.091 13.771 -15.310
113 HE1 PHE 14 HE2 PHE 14 6.780 18.579 -16.087
114 HE2 PHE 14 HE1 PHE 14 5.518 15.393 -13.551
115 HZ PHE 14 HZ PHE 14 5.863 17.801 -13.938
116 H TYR 15 H TYR 15 6.213 11.784 -19.551
117 HA TYR 15 HA TYR 15 8.269 11.911 -21.508
118 HB2 TYR 15 HB2 TYR 15 6.651 9.860 -20.238
119 HB3 TYR 15 HB3 TYR 15 6.873 9.539 -21.955
120 HD1 TYR 15 HD2 TYR 15 9.497 10.232 -22.640
121 HD2 TYR 15 HD1 TYR 15 8.122 8.676 -18.927
122 HE1 TYR 15 HE2 TYR 15 11.745 9.343 -22.187
123 HE2 TYR 15 HE1 TYR 15 10.367 7.784 -18.463
124 HH TYR 15 HH TYR 15 13.107 8.583 -20.444
125 H ASP 16 H ASP 16 4.821 12.229 -21.610
126 HA ASP 16 HA ASP 16 4.371 11.619 -24.319
127 HB2 ASP 16 HB2 ASP 16 2.904 12.999 -22.163
128 HB3 ASP 16 HB3 ASP 16 2.464 13.488 -23.796
129 H GLY 17 H GLY 17 5.714 14.406 -22.755
130 HA2 GLY 17 HA2 GLY 17 7.084 15.574 -24.679
131 HA3 GLY 17 HA3 GLY 17 5.461 16.032 -25.174
132 H GLU 18 H GLU 18 4.736 16.102 -22.210
133 HA GLU 18 HA GLU 18 4.922 18.855 -21.837
134 HB2 GLU 18 HB2 GLU 18 4.493 16.627 -19.847
135 HB3 GLU 18 HB3 GLU 18 4.362 18.329 -19.429
136 HG2 GLU 18 HG2 GLU 18 2.787 17.758 -21.758
137 HG3 GLU 18 HG3 GLU 18 2.368 16.656 -20.447
138 H ALA 19 H ALA 19 7.206 16.352 -21.176
139 HA ALA 19 HA ALA 19 8.757 17.490 -19.170
140 HB1 ALA 19 HB1 ALA 19 9.549 15.731 -21.482
141 HB2 ALA 19 HB2 ALA 19 10.634 16.157 -20.158
142 HB3 ALA 19 HB3 ALA 19 9.164 15.239 -19.832
143 H GLY 20 H GLY 20 8.432 18.373 -22.503
144 HA2 GLY 20 HA2 GLY 20 10.545 20.403 -22.120
145 HA3 GLY 20 HA3 GLY 20 10.335 19.555 -23.645
146 H ARG 21 H ARG 21 7.431 19.613 -23.542
147 HA ARG 21 HA ARG 21 6.999 22.069 -24.861
148 HB2 ARG 21 HB2 ARG 21 5.682 19.704 -24.789
149 HB3 ARG 21 HB3 ARG 21 4.638 20.674 -23.758
150 HG2 ARG 21 HG2 ARG 21 4.275 22.264 -25.506
151 HG3 ARG 21 HG3 ARG 21 5.484 21.485 -26.528
152 HD2 ARG 21 HD2 ARG 21 3.432 19.637 -25.628
153 HD3 ARG 21 HD3 ARG 21 2.762 20.995 -26.531
154 HE ARG 21 HE ARG 21 5.024 19.825 -27.830
155 HH11 ARG 21 HH11 ARG 21 1.596 19.512 -27.306
156 HH12 ARG 21 HH12 ARG 21 1.319 18.641 -28.778
157 HH21 ARG 21 HH21 ARG 21 4.671 18.678 -29.770
158 HH22 ARG 21 HH22 ARG 21 3.069 18.166 -30.178
159 H ALA 22 H ALA 22 6.711 21.098 -21.545
160 HA ALA 22 HA ALA 22 5.035 23.281 -20.734
161 HB1 ALA 22 HB1 ALA 22 5.386 22.508 -18.496
162 HB2 ALA 22 HB2 ALA 22 5.156 21.101 -19.535
163 HB3 ALA 22 HB3 ALA 22 6.775 21.543 -18.995
164 H ILE 23 H ILE 23 8.475 22.503 -20.191
165 HA ILE 23 HA ILE 23 9.062 25.072 -19.095
166 HB ILE 23 HB ILE 23 11.420 24.387 -19.241
167 HG12 ILE 23 HG12 ILE 23 10.259 22.048 -20.755
168 HG13 ILE 23 HG13 ILE 23 11.491 23.181 -21.301
169 HG21 ILE 23 HG21 ILE 23 11.290 22.933 -17.487
170 HG22 ILE 23 HG22 ILE 23 9.623 23.506 -17.518
171 HG23 ILE 23 HG23 ILE 23 10.035 21.954 -18.247
172 HD11 ILE 23 HD11 ILE 23 11.728 20.892 -19.410
173 HD12 ILE 23 HD12 ILE 23 12.733 21.319 -20.795
174 HD13 ILE 23 HD13 ILE 23 12.853 22.245 -19.299
175 H ARG 24 H ARG 24 8.483 24.062 -22.220
176 HA ARG 24 HA ARG 24 8.911 24.905 -24.298
177 HB2 ARG 24 HB2 ARG 24 9.195 27.527 -22.827
178 HB3 ARG 24 HB3 ARG 24 8.707 27.291 -24.500
179 HG2 ARG 24 HG2 ARG 24 7.067 26.013 -22.384
180 HG3 ARG 24 HG3 ARG 24 6.957 27.763 -22.583
181 HD2 ARG 24 HD2 ARG 24 5.259 26.598 -23.904
182 HD3 ARG 24 HD3 ARG 24 6.391 27.477 -24.931
183 HE ARG 24 HE ARG 24 7.027 24.689 -24.501
184 HH11 ARG 24 HH11 ARG 24 5.414 27.033 -26.508
185 HH12 ARG 24 HH12 ARG 24 5.407 26.019 -27.912
186 HH21 ARG 24 HH21 ARG 24 7.023 23.344 -26.344
187 HH22 ARG 24 HH22 ARG 24 6.322 23.921 -27.818
188 H ARG 25 H ARG 25 11.055 23.684 -23.906
189 HA ARG 25 HA ARG 25 13.435 25.086 -23.391
190 HB2 ARG 25 HB2 ARG 25 12.812 22.516 -24.816
191 HB3 ARG 25 HB3 ARG 25 14.455 23.144 -24.774
192 HG2 ARG 25 HG2 ARG 25 13.621 23.271 -22.138
193 HG3 ARG 25 HG3 ARG 25 12.949 21.753 -22.735
194 HD2 ARG 25 HD2 ARG 25 15.115 21.283 -21.862
195 HD3 ARG 25 HD3 ARG 25 15.222 21.195 -23.619
196 HE ARG 25 HE ARG 25 15.949 23.741 -23.095
197 HH11 ARG 25 HH11 ARG 25 16.991 20.664 -21.844
198 HH12 ARG 25 HH12 ARG 25 18.610 21.194 -21.526
199 HH21 ARG 25 HH21 ARG 25 18.077 24.452 -22.680
200 HH22 ARG 25 HH22 ARG 25 19.226 23.349 -22.000
Start of MODEL 20
1 H1 GLY 1 H GLY 1 3.775 -1.332 -0.315
2 HA2 GLY 1 HA2 GLY 1 4.544 0.859 -0.133
3 HA3 GLY 1 HA3 GLY 1 5.190 0.740 -1.763
4 H ALA 2 H ALA 2 4.348 2.822 -2.226
5 HA ALA 2 HA ALA 2 1.792 2.780 -3.442
6 HB1 ALA 2 HB1 ALA 2 1.314 3.025 -0.910
7 HB2 ALA 2 HB2 ALA 2 1.855 4.688 -1.139
8 HB3 ALA 2 HB3 ALA 2 0.473 4.078 -2.049
9 H TRP 3 H TRP 3 4.357 4.775 -2.054
10 HA TRP 3 HA TRP 3 3.920 7.066 -3.631
11 HB2 TRP 3 HB2 TRP 3 6.189 7.721 -2.985
12 HB3 TRP 3 HB3 TRP 3 5.308 7.080 -1.601
13 HD1 TRP 3 HD1 TRP 3 6.265 4.931 -0.438
14 HE1 TRP 3 HE1 TRP 3 8.430 3.571 -0.732
15 HE3 TRP 3 HE3 TRP 3 7.893 6.940 -4.849
16 HZ2 TRP 3 HZ2 TRP 3 10.548 3.376 -2.588
17 HZ3 TRP 3 HZ3 TRP 3 9.999 6.111 -5.816
18 HH2 TRP 3 HH2 TRP 3 11.297 4.366 -4.707
19 H LYS 4 H LYS 4 5.696 4.099 -4.208
20 HA LYS 4 HA LYS 4 7.067 4.996 -6.535
21 HB2 LYS 4 HB2 LYS 4 7.458 2.567 -6.936
22 HB3 LYS 4 HB3 LYS 4 7.925 3.101 -5.326
23 HG2 LYS 4 HG2 LYS 4 6.772 1.343 -4.597
24 HG3 LYS 4 HG3 LYS 4 5.334 2.305 -4.949
25 HD2 LYS 4 HD2 LYS 4 5.067 0.150 -5.965
26 HD3 LYS 4 HD3 LYS 4 5.330 1.336 -7.246
27 HE2 LYS 4 HE2 LYS 4 7.031 0.117 -7.988
28 HE3 LYS 4 HE3 LYS 4 7.871 0.393 -6.463
29 HZ1 LYS 4 HZ1 LYS 4 7.070 -2.017 -7.410
30 HZ2 LYS 4 HZ2 LYS 4 5.858 -1.645 -6.291
31 HZ3 LYS 4 HZ3 LYS 4 7.477 -1.683 -5.802
32 H ASN 5 H ASN 5 4.025 3.283 -5.982
33 HA ASN 5 HA ASN 5 3.458 2.822 -8.727
34 HB2 ASN 5 HB2 ASN 5 1.472 2.998 -6.454
35 HB3 ASN 5 HB3 ASN 5 1.260 2.161 -7.989
36 HD21 ASN 5 HD21 ASN 5 2.886 2.129 -4.907
37 HD22 ASN 5 HD22 ASN 5 3.343 0.464 -4.944
38 H PHE 6 H PHE 6 2.949 5.496 -6.562
39 HA PHE 6 HA PHE 6 1.058 6.833 -8.280
40 HB2 PHE 6 HB2 PHE 6 0.773 7.319 -5.991
41 HB3 PHE 6 HB3 PHE 6 2.494 7.596 -5.748
42 HD1 PHE 6 HD2 PHE 6 -0.286 8.955 -7.837
43 HD2 PHE 6 HD1 PHE 6 3.159 9.768 -5.473
44 HE1 PHE 6 HE2 PHE 6 -0.634 11.368 -8.166
45 HE2 PHE 6 HE1 PHE 6 2.817 12.183 -5.799
46 HZ PHE 6 HZ PHE 6 0.919 12.986 -7.148
47 H TRP 7 H TRP 7 4.427 7.423 -7.288
48 HA TRP 7 HA TRP 7 4.954 9.658 -8.816
49 HB2 TRP 7 HB2 TRP 7 6.537 7.560 -7.533
50 HB3 TRP 7 HB3 TRP 7 7.325 8.245 -8.951
51 HD1 TRP 7 HD1 TRP 7 7.241 8.749 -5.393
52 HE1 TRP 7 HE1 TRP 7 7.916 11.144 -4.738
53 HE3 TRP 7 HE3 TRP 7 6.788 10.998 -9.962
54 HZ2 TRP 7 HZ2 TRP 7 8.216 13.655 -5.991
55 HZ3 TRP 7 HZ3 TRP 7 7.287 13.400 -10.148
56 HH2 TRP 7 HH2 TRP 7 7.986 14.700 -8.203
57 H SER 8 H SER 8 5.255 6.247 -9.764
58 HA SER 8 HA SER 8 6.194 6.764 -12.382
59 HB2 SER 8 HB2 SER 8 6.323 4.514 -12.542
60 HB3 SER 8 HB3 SER 8 5.891 4.515 -10.832
61 HG SER 8 HG SER 8 4.054 3.649 -11.341
62 H SER 9 H SER 9 2.993 6.489 -10.984
63 HA SER 9 HA SER 9 1.565 6.307 -13.429
64 HB2 SER 9 HB2 SER 9 0.705 5.722 -11.104
65 HB3 SER 9 HB3 SER 9 0.492 7.454 -10.850
66 HG SER 9 HG SER 9 -0.790 7.359 -12.864
67 H LEU 10 H LEU 10 3.202 8.862 -11.922
68 HA LEU 10 HA LEU 10 1.576 10.957 -13.109
69 HB2 LEU 10 HB2 LEU 10 4.162 11.107 -11.567
70 HB3 LEU 10 HB3 LEU 10 3.189 12.488 -12.071
71 HG LEU 10 HG LEU 10 1.954 10.405 -10.327
72 HD11 LEU 10 HD11 LEU 10 4.327 11.759 -9.620
73 HD12 LEU 10 HD12 LEU 10 3.282 10.777 -8.595
74 HD13 LEU 10 HD13 LEU 10 3.008 12.514 -8.726
75 HD21 LEU 10 HD21 LEU 10 0.324 11.909 -10.677
76 HD22 LEU 10 HD22 LEU 10 1.453 13.173 -11.167
77 HD23 LEU 10 HD23 LEU 10 1.174 12.855 -9.454
78 H ARG 11 H ARG 11 4.930 9.787 -13.368
79 HA ARG 11 HA ARG 11 5.827 11.450 -15.379
80 HB2 ARG 11 HB2 ARG 11 7.622 10.027 -15.590
81 HB3 ARG 11 HB3 ARG 11 7.009 9.532 -14.018
82 HG2 ARG 11 HG2 ARG 11 5.748 7.710 -15.183
83 HG3 ARG 11 HG3 ARG 11 6.615 8.147 -16.657
84 HD2 ARG 11 HD2 ARG 11 8.536 7.206 -15.956
85 HD3 ARG 11 HD3 ARG 11 8.312 7.751 -14.294
86 HE ARG 11 HE ARG 11 7.380 5.724 -13.798
87 HH11 ARG 11 HH11 ARG 11 7.403 6.144 -17.253
88 HH12 ARG 11 HH12 ARG 11 6.874 4.528 -17.585
89 HH21 ARG 11 HH21 ARG 11 6.684 3.593 -14.221
90 HH22 ARG 11 HH22 ARG 11 6.465 3.078 -15.859
91 H LYS 12 H LYS 12 3.663 8.734 -15.576
92 HA LYS 12 HA LYS 12 3.820 8.014 -18.231
93 HB2 LYS 12 HB2 LYS 12 1.232 8.311 -16.703
94 HB3 LYS 12 HB3 LYS 12 1.559 7.217 -18.041
95 HG2 LYS 12 HG2 LYS 12 3.449 6.394 -16.334
96 HG3 LYS 12 HG3 LYS 12 2.246 6.980 -15.182
97 HD2 LYS 12 HD2 LYS 12 0.552 5.559 -16.221
98 HD3 LYS 12 HD3 LYS 12 1.740 4.990 -17.396
99 HE2 LYS 12 HE2 LYS 12 2.696 4.687 -14.683
100 HE3 LYS 12 HE3 LYS 12 1.155 3.863 -14.919
101 HZ1 LYS 12 HZ1 LYS 12 2.060 2.380 -16.337
102 HZ2 LYS 12 HZ2 LYS 12 3.481 2.754 -15.500
103 HZ3 LYS 12 HZ3 LYS 12 3.162 3.483 -16.993
104 H GLY 13 H GLY 13 2.353 10.863 -16.807
105 HA2 GLY 13 HA2 GLY 13 1.086 11.677 -19.276
106 HA3 GLY 13 HA3 GLY 13 1.154 12.599 -17.781
107 H PHE 14 H PHE 14 4.095 12.307 -17.621
108 HA PHE 14 HA PHE 14 4.748 14.609 -19.224
109 HB2 PHE 14 HB2 PHE 14 6.305 12.960 -17.235
110 HB3 PHE 14 HB3 PHE 14 7.034 14.286 -18.135
111 HD1 PHE 14 HD1 PHE 14 6.392 16.586 -17.703
112 HD2 PHE 14 HD2 PHE 14 4.709 13.369 -15.482
113 HE1 PHE 14 HE1 PHE 14 5.568 18.183 -16.022
114 HE2 PHE 14 HE2 PHE 14 3.882 14.960 -13.798
115 HZ PHE 14 HZ PHE 14 4.310 17.371 -14.067
116 H TYR 15 H TYR 15 5.209 11.182 -19.404
117 HA TYR 15 HA TYR 15 7.420 11.100 -21.143
118 HB2 TYR 15 HB2 TYR 15 6.020 9.216 -19.826
119 HB3 TYR 15 HB3 TYR 15 5.335 9.010 -21.435
120 HD1 TYR 15 HD2 TYR 15 8.446 8.862 -19.459
121 HD2 TYR 15 HD1 TYR 15 6.603 8.020 -23.200
122 HE1 TYR 15 HE2 TYR 15 10.396 7.511 -20.109
123 HE2 TYR 15 HE1 TYR 15 8.547 6.666 -23.860
124 HH TYR 15 HH TYR 15 10.645 6.078 -23.334
125 H ASP 16 H ASP 16 4.211 12.094 -21.647
126 HA ASP 16 HA ASP 16 3.745 11.382 -24.303
127 HB2 ASP 16 HB2 ASP 16 2.785 13.572 -22.517
128 HB3 ASP 16 HB3 ASP 16 2.449 13.698 -24.242
129 H GLY 17 H GLY 17 5.813 13.825 -22.936
130 HA2 GLY 17 HA2 GLY 17 7.671 14.304 -24.639
131 HA3 GLY 17 HA3 GLY 17 6.346 14.899 -25.628
132 H GLU 18 H GLU 18 5.406 15.642 -22.620
133 HA GLU 18 HA GLU 18 6.017 18.412 -22.928
134 HB2 GLU 18 HB2 GLU 18 4.548 18.784 -21.198
135 HB3 GLU 18 HB3 GLU 18 3.979 17.222 -21.768
136 HG2 GLU 18 HG2 GLU 18 5.558 16.237 -19.994
137 HG3 GLU 18 HG3 GLU 18 5.564 17.864 -19.315
138 H ALA 19 H ALA 19 7.347 15.777 -21.054
139 HA ALA 19 HA ALA 19 8.834 17.239 -19.185
140 HB1 ALA 19 HB1 ALA 19 8.512 14.540 -19.875
141 HB2 ALA 19 HB2 ALA 19 10.243 14.867 -19.971
142 HB3 ALA 19 HB3 ALA 19 9.363 15.203 -18.480
143 H GLY 20 H GLY 20 9.248 16.872 -22.561
144 HA2 GLY 20 HA2 GLY 20 12.019 17.878 -22.364
145 HA3 GLY 20 HA3 GLY 20 11.397 16.953 -23.723
146 H ARG 21 H ARG 21 8.866 18.418 -23.799
147 HA ARG 21 HA ARG 21 9.718 20.558 -25.496
148 HB2 ARG 21 HB2 ARG 21 7.512 18.995 -25.443
149 HB3 ARG 21 HB3 ARG 21 6.884 20.437 -24.657
150 HG2 ARG 21 HG2 ARG 21 8.171 21.513 -26.794
151 HG3 ARG 21 HG3 ARG 21 7.606 19.977 -27.455
152 HD2 ARG 21 HD2 ARG 21 5.844 21.918 -25.970
153 HD3 ARG 21 HD3 ARG 21 6.017 21.897 -27.724
154 HE ARG 21 HE ARG 21 5.313 19.330 -26.747
155 HH11 ARG 21 HH11 ARG 21 4.004 22.489 -27.400
156 HH12 ARG 21 HH12 ARG 21 2.393 21.909 -27.668
157 HH21 ARG 21 HH21 ARG 21 3.197 18.554 -27.097
158 HH22 ARG 21 HH22 ARG 21 1.935 19.671 -27.494
159 H ALA 22 H ALA 22 8.290 20.317 -22.282
160 HA ALA 22 HA ALA 22 7.794 23.075 -21.914
161 HB1 ALA 22 HB1 ALA 22 8.341 21.006 -19.791
162 HB2 ALA 22 HB2 ALA 22 7.514 22.549 -19.579
163 HB3 ALA 22 HB3 ALA 22 6.774 21.279 -20.552
164 H ILE 23 H ILE 23 10.684 21.319 -22.046
165 HA ILE 23 HA ILE 23 12.158 23.215 -20.382
166 HB ILE 23 HB ILE 23 13.405 20.947 -21.904
167 HG12 ILE 23 HG12 ILE 23 11.538 19.956 -20.701
168 HG13 ILE 23 HG13 ILE 23 13.047 19.525 -19.905
169 HG21 ILE 23 HG21 ILE 23 14.258 22.889 -19.963
170 HG22 ILE 23 HG22 ILE 23 14.514 21.254 -19.355
171 HG23 ILE 23 HG23 ILE 23 15.218 21.743 -20.896
172 HD11 ILE 23 HD11 ILE 23 12.054 21.926 -18.746
173 HD12 ILE 23 HD12 ILE 23 10.762 20.726 -18.787
174 HD13 ILE 23 HD13 ILE 23 12.294 20.346 -18.001
175 H ARG 24 H ARG 24 10.928 23.908 -23.011
176 HA ARG 24 HA ARG 24 12.972 24.184 -24.951
177 HB2 ARG 24 HB2 ARG 24 10.196 24.878 -24.688
178 HB3 ARG 24 HB3 ARG 24 11.088 26.255 -25.321
179 HG2 ARG 24 HG2 ARG 24 11.317 25.309 -27.319
180 HG3 ARG 24 HG3 ARG 24 11.843 23.776 -26.619
181 HD2 ARG 24 HD2 ARG 24 9.704 23.713 -27.967
182 HD3 ARG 24 HD3 ARG 24 9.622 23.028 -26.345
183 HE ARG 24 HE ARG 24 8.158 24.691 -25.745
184 HH11 ARG 24 HH11 ARG 24 9.645 25.492 -28.790
185 HH12 ARG 24 HH12 ARG 24 8.594 26.834 -29.098
186 HH21 ARG 24 HH21 ARG 24 6.768 26.456 -26.140
187 HH22 ARG 24 HH22 ARG 24 6.958 27.382 -27.590
188 H ARG 25 H ARG 25 12.279 25.876 -22.065
189 HA ARG 25 HA ARG 25 13.108 28.458 -22.569
190 HB2 ARG 25 HB2 ARG 25 13.804 26.900 -20.077
191 HB3 ARG 25 HB3 ARG 25 13.609 28.642 -20.225
192 HG2 ARG 25 HG2 ARG 25 11.187 27.749 -21.086
193 HG3 ARG 25 HG3 ARG 25 11.604 26.544 -19.866
194 HD2 ARG 25 HD2 ARG 25 10.919 27.982 -18.316
195 HD3 ARG 25 HD3 ARG 25 12.291 29.005 -18.740
196 HE ARG 25 HE ARG 25 10.842 30.455 -19.748
197 HH11 ARG 25 HH11 ARG 25 9.254 27.386 -19.326
198 HH12 ARG 25 HH12 ARG 25 7.707 27.968 -19.845
199 HH21 ARG 25 HH21 ARG 25 8.810 31.233 -20.434
200 HH22 ARG 25 HH22 ARG 25 7.456 30.156 -20.476