Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
625943 | 6cfb RC | 30409 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASP 1 HT1 ASP 1 3.429 15.962 5.139
2 H2 ASP 1 HT2 ASP 1 4.637 15.500 6.231
3 H3 ASP 1 HT3 ASP 1 3.871 14.351 5.251
4 HA ASP 1 HA ASP 1 5.533 16.556 4.220
5 HB2 ASP 1 HB2 ASP 1 6.140 13.602 4.532
6 HB3 ASP 1 HB1 ASP 1 7.094 14.700 3.552
7 H VAL 2 H VAL 2 6.252 15.808 1.954
8 HA VAL 2 HA VAL 2 3.940 15.334 0.367
9 HB VAL 2 HB VAL 2 6.889 15.306 -0.397
10 HG11 VAL 2 HG11 VAL 2 4.452 15.453 -2.165
11 HG12 VAL 2 HG12 VAL 2 5.532 14.068 -2.015
12 HG13 VAL 2 3HG1 VAL 2 6.124 15.579 -2.706
13 HG21 VAL 2 HG21 VAL 2 6.153 17.467 0.452
14 HG22 VAL 2 HG22 VAL 2 4.804 17.465 -0.683
15 HG23 VAL 2 HG23 VAL 2 6.460 17.550 -1.282
16 H SER 3 H SER 3 3.021 13.396 0.454
17 HA SER 3 HA SER 3 4.747 11.078 0.141
18 HB2 SER 3 HB2 SER 3 2.435 11.325 2.071
19 HB3 SER 3 HB1 SER 3 3.398 9.868 1.795
20 HG SER 3 HG SER 3 5.209 11.496 2.249
21 HA PRO 4 HA PRO 4 1.784 10.700 -3.305
22 HB2 PRO 4 HB2 PRO 4 3.709 8.478 -3.776
23 HB3 PRO 4 HB1 PRO 4 3.092 9.675 -4.920
24 HG2 PRO 4 HG2 PRO 4 5.563 9.868 -4.002
25 HG3 PRO 4 HG1 PRO 4 4.563 11.325 -4.166
26 HD2 PRO 4 HD2 PRO 4 5.254 9.764 -1.711
27 HD3 PRO 4 HD1 PRO 4 5.148 11.523 -1.941
28 H CYS 5 H CYS 5 0.114 9.280 -3.488
29 HA CYS 5 HA CYS 5 -0.121 7.242 -1.438
30 HB2 CYS 5 HB2 CYS 5 -1.989 8.848 -1.871
31 HB3 CYS 5 HB1 CYS 5 -2.110 8.090 -3.474
32 H PHE 6 H PHE 6 -0.377 5.075 -1.948
33 HA PHE 6 HA PHE 6 -0.549 4.472 -4.788
34 HB2 PHE 6 HB2 PHE 6 1.822 4.159 -3.869
35 HB3 PHE 6 HB1 PHE 6 1.164 2.800 -2.955
36 HD1 PHE 6 HD1 PHE 6 1.299 4.178 -6.378
37 HD2 PHE 6 HD2 PHE 6 1.124 0.695 -3.953
38 HE1 PHE 6 HE1 PHE 6 1.520 2.821 -8.366
39 HE2 PHE 6 HE2 PHE 6 1.354 -0.712 -5.960
40 HZ PHE 6 HZ PHE 6 1.553 0.341 -8.182
41 H CYS 7 H CYS 7 -1.935 2.858 -5.283
42 HA CYS 7 HA CYS 7 -3.277 1.528 -3.037
43 HB2 CYS 7 HB2 CYS 7 -4.407 2.235 -5.732
44 HB3 CYS 7 HB1 CYS 7 -5.258 1.418 -4.443
45 H VAL 8 H VAL 8 -3.740 -0.581 -3.244
46 HA VAL 8 HA VAL 8 -2.890 -2.054 -5.639
47 HB VAL 8 HB VAL 8 -2.308 -3.020 -2.833
48 HG11 VAL 8 HG11 VAL 8 -0.841 -4.664 -3.899
49 HG12 VAL 8 HG12 VAL 8 -1.313 -4.036 -5.476
50 HG13 VAL 8 3HG1 VAL 8 -2.519 -4.791 -4.432
51 HG21 VAL 8 HG21 VAL 8 0.095 -2.564 -3.213
52 HG22 VAL 8 HG22 VAL 8 -0.874 -1.090 -3.148
53 HG23 VAL 8 HG23 VAL 8 -0.326 -1.719 -4.702
54 H GLU 9 H GLU 9 -4.167 -3.926 -5.885
55 HA GLU 9 HA GLU 9 -6.580 -3.922 -4.241
56 HB2 GLU 9 HB2 GLU 9 -6.685 -3.941 -6.790
57 HB3 GLU 9 HB1 GLU 9 -6.043 -5.575 -6.718
58 HG2 GLU 9 HG2 GLU 9 -7.965 -6.358 -5.562
59 HG3 GLU 9 HG1 GLU 9 -8.577 -4.719 -5.343
60 H ASP 10 H ASP 10 -6.381 -5.048 -2.482
61 HA ASP 10 HA ASP 10 -4.401 -7.182 -2.494
62 HB2 ASP 10 HB2 ASP 10 -3.891 -5.337 -1.002
63 HB3 ASP 10 HB1 ASP 10 -5.468 -5.536 -0.232
64 H GLU 11 H GLU 11 -5.043 -9.125 -2.350
65 HA GLU 11 HA GLU 11 -7.772 -9.816 -1.944
66 HB2 GLU 11 HB2 GLU 11 -5.340 -11.608 -2.075
67 HB3 GLU 11 HB1 GLU 11 -7.011 -12.138 -2.180
68 HG2 GLU 11 HG2 GLU 11 -5.562 -10.385 -4.150
69 HG3 GLU 11 HG1 GLU 11 -6.008 -12.076 -4.372
70 H THR 12 H THR 12 -4.962 -9.577 0.102
71 HA THR 12 HA THR 12 -5.918 -11.250 2.170
72 HB THR 12 HB THR 12 -3.880 -9.016 2.279
73 HG1 THR 12 HG1 THR 12 -3.879 -11.604 1.240
74 HG21 THR 12 HG21 THR 12 -4.240 -11.493 3.996
75 HG22 THR 12 HG22 THR 12 -4.597 -9.842 4.499
76 HG23 THR 12 HG23 THR 12 -2.934 -10.317 4.151
77 H SER 13 H SER 13 -5.981 -7.727 1.657
78 HA SER 13 HA SER 13 -7.568 -7.255 3.991
79 HB2 SER 13 HB2 SER 13 -7.157 -5.495 1.594
80 HB3 SER 13 HB1 SER 13 -7.712 -4.967 3.185
81 HG SER 13 HG SER 13 -5.186 -6.045 2.482
82 H GLY 14 H GLY 14 -8.144 -8.054 0.681
83 HA2 GLY 14 HA2 GLY 14 -10.095 -9.126 -0.017
84 HA3 GLY 14 HA1 GLY 14 -10.975 -8.362 1.305
85 H ALA 15 H ALA 15 -9.004 -6.123 -0.217
86 HA ALA 15 HA ALA 15 -10.699 -5.410 -2.357
87 HB1 ALA 15 HB1 ALA 15 -11.624 -3.349 -1.403
88 HB2 ALA 15 HB2 ALA 15 -10.938 -3.767 0.166
89 HB3 ALA 15 HB3 ALA 15 -12.208 -4.771 -0.537
90 H LYS 16 H LYS 16 -10.173 -3.044 -2.938
91 HA LYS 16 HA LYS 16 -7.358 -2.701 -3.149
92 HB2 LYS 16 HB2 LYS 16 -8.997 -1.893 -4.846
93 HB3 LYS 16 HB1 LYS 16 -9.584 -0.736 -3.662
94 HG2 LYS 16 HG2 LYS 16 -7.299 0.272 -3.610
95 HG3 LYS 16 HG1 LYS 16 -6.843 -0.813 -4.918
96 HD2 LYS 16 HD2 LYS 16 -7.426 1.331 -5.874
97 HD3 LYS 16 HD1 LYS 16 -8.672 0.162 -6.307
98 HE2 LYS 16 HE2 LYS 16 -10.067 1.026 -4.423
99 HE3 LYS 16 HE1 LYS 16 -8.825 2.231 -4.110
100 HZ1 LYS 16 HZ1 LYS 16 -10.342 1.973 -6.643
101 HZ2 LYS 16 HZ2 LYS 16 -9.255 3.211 -6.278
102 HZ3 LYS 16 HZ3 LYS 16 -10.686 3.060 -5.414
103 H THR 17 H THR 17 -6.072 -1.911 -1.725
104 HA THR 17 HA THR 17 -7.173 -0.013 0.166
105 HB THR 17 HB THR 17 -6.720 -2.161 1.327
106 HG1 THR 17 HG1 THR 17 -6.216 0.069 2.201
107 HG21 THR 17 HG21 THR 17 -3.851 -1.721 0.463
108 HG22 THR 17 HG22 THR 17 -4.908 -3.019 -0.088
109 HG23 THR 17 HG23 THR 17 -4.394 -2.957 1.598
110 H CYS 18 H CYS 18 -5.665 1.588 0.828
111 HA CYS 18 HA CYS 18 -3.470 1.939 -1.099
112 HB2 CYS 18 HB2 CYS 18 -5.340 4.156 -0.242
113 HB3 CYS 18 HB1 CYS 18 -4.065 4.233 -1.440
114 H VAL 19 H VAL 19 -2.028 3.722 -0.350
115 HA VAL 19 HA VAL 19 -2.132 4.244 2.529
116 HB VAL 19 HB VAL 19 0.425 3.603 0.993
117 HG11 VAL 19 HG11 VAL 19 1.519 3.675 3.178
118 HG12 VAL 19 HG12 VAL 19 -0.008 4.144 3.922
119 HG13 VAL 19 3HG1 VAL 19 0.776 5.222 2.765
120 HG21 VAL 19 HG21 VAL 19 0.598 1.583 2.391
121 HG22 VAL 19 HG22 VAL 19 -0.839 1.553 1.366
122 HG23 VAL 19 HG23 VAL 19 -0.986 1.938 3.079
123 HA PRO 20 HA PRO 20 -2.790 6.036 3.598
124 HB2 PRO 20 HB2 PRO 20 -4.590 8.007 3.161
125 HB3 PRO 20 HB1 PRO 20 -3.022 8.279 3.925
126 HG2 PRO 20 HG2 PRO 20 -3.823 8.634 1.052
127 HG3 PRO 20 HG1 PRO 20 -2.960 9.784 2.067
128 HD2 PRO 20 HD2 PRO 20 -1.625 8.273 0.351
129 HD3 PRO 20 HD1 PRO 20 -0.970 8.519 1.985
130 H ASP 21 H ASP 21 -4.895 5.302 3.919
131 HA ASP 21 HA ASP 21 -5.662 3.667 1.718
132 HB2 ASP 21 HB2 ASP 21 -5.700 2.814 4.037
133 HB3 ASP 21 HB1 ASP 21 -7.087 3.855 4.360
134 H ASN 22 H ASN 22 -7.336 3.650 0.425
135 HA ASN 22 HA ASN 22 -8.775 4.499 -0.954
136 HB2 ASN 22 HB2 ASN 22 -10.092 5.077 1.665
137 HB3 ASN 22 HB1 ASN 22 -10.817 5.552 0.128
138 HD21 ASN 22 HD21 ASN 22 -11.666 3.528 2.125
139 HD22 ASN 22 HD22 ASN 22 -11.831 2.069 1.241
140 H CYS 23 H CYS 23 -6.530 6.254 -0.355
141 HA CYS 23 HA CYS 23 -7.236 8.933 -0.559
142 HB2 CYS 23 HB2 CYS 23 -4.944 9.169 -1.476
143 HB3 CYS 23 HB1 CYS 23 -4.979 7.852 -0.330
144 H ASP 24 H ASP 24 -7.413 6.333 -2.710
145 HA ASP 24 HA ASP 24 -8.199 7.970 -4.993
146 HB2 ASP 24 HB2 ASP 24 -6.541 6.226 -5.484
147 HB3 ASP 24 HB1 ASP 24 -7.592 5.004 -4.789
148 H ALA 25 H ALA 25 -9.944 8.584 -3.919
149 HA ALA 25 HA ALA 25 -12.421 7.511 -4.531
150 HB1 ALA 25 HB1 ALA 25 -13.281 6.895 -2.276
151 HB2 ALA 25 HB2 ALA 25 -11.648 7.064 -1.628
152 HB3 ALA 25 HB3 ALA 25 -12.004 5.795 -2.797
153 H SER 26 H SER 26 -10.498 9.200 -2.317
154 HA SER 26 HA SER 26 -12.327 11.474 -2.237
155 HB2 SER 26 HB2 SER 26 -10.791 12.168 -0.371
156 HB3 SER 26 HB1 SER 26 -11.644 10.657 -0.071
157 HG SER 26 HG SER 26 -9.516 10.420 0.457
158 H ARG 27 H ARG 27 -10.534 13.556 -1.874
159 HA ARG 27 HA ARG 27 -9.024 13.440 -4.372
160 HB2 ARG 27 HB2 ARG 27 -9.071 15.851 -4.437
161 HB3 ARG 27 HB1 ARG 27 -10.698 15.239 -4.245
162 HG2 ARG 27 HG2 ARG 27 -10.616 15.819 -1.859
163 HG3 ARG 27 HG1 ARG 27 -8.976 16.447 -2.084
164 HD2 ARG 27 HD2 ARG 27 -9.908 17.951 -3.849
165 HD3 ARG 27 HD1 ARG 27 -11.510 17.424 -3.353
166 HE ARG 27 HE ARG 27 -10.409 18.286 -1.058
167 HH11 ARG 27 HH11 ARG 27 -10.858 19.718 -4.274
168 HH12 ARG 27 HH12 ARG 27 -10.888 21.322 -3.728
169 HH21 ARG 27 HH21 ARG 27 -10.426 20.538 -0.298
170 HH22 ARG 27 HH22 ARG 27 -10.653 21.801 -1.406
171 H GLY 28 H GLY 28 -8.320 12.582 -1.532
172 HA2 GLY 28 HA2 GLY 28 -5.915 14.200 -1.145
173 HA3 GLY 28 HA1 GLY 28 -6.558 13.009 -0.015
174 H THR 29 H THR 29 -5.854 12.785 -3.475
175 HA THR 29 HA THR 29 -4.545 10.255 -3.024
176 HB THR 29 HB THR 29 -4.751 11.654 -5.690
177 HG1 THR 29 HG1 THR 29 -6.834 10.327 -4.207
178 HG21 THR 29 HG21 THR 29 -4.984 9.357 -6.498
179 HG22 THR 29 HG22 THR 29 -5.015 8.762 -4.840
180 HG23 THR 29 HG23 THR 29 -3.544 9.487 -5.484
181 H ASN 30 H ASN 30 -3.696 13.338 -4.630
182 HA ASN 30 HA ASN 30 -0.890 12.677 -4.186
183 HB2 ASN 30 HB2 ASN 30 -0.315 14.306 -5.953
184 HB3 ASN 30 HB1 ASN 30 -1.420 13.093 -6.569
185 HD21 ASN 30 HD21 ASN 30 -0.973 16.451 -5.839
186 HD22 ASN 30 HD22 ASN 30 -2.449 16.990 -6.538
187 HA PRO 31 HA PRO 31 -0.729 16.096 -1.321
188 HB2 PRO 31 HB2 PRO 31 2.136 16.328 -1.723
189 HB3 PRO 31 HB1 PRO 31 1.283 15.660 -0.333
190 HG2 PRO 31 HG2 PRO 31 2.771 14.137 -2.032
191 HG3 PRO 31 HG1 PRO 31 1.371 13.519 -1.145
192 HD2 PRO 31 HD2 PRO 31 1.561 14.424 -3.987
193 HD3 PRO 31 HD1 PRO 31 0.740 13.007 -3.292
Start of MODEL 2
1 H1 ASP 1 HT1 ASP 1 -1.895 13.509 6.183
2 H2 ASP 1 HT2 ASP 1 -1.739 12.989 4.582
3 H3 ASP 1 HT3 ASP 1 -1.037 14.417 5.058
4 HA ASP 1 HA ASP 1 0.496 13.299 6.490
5 HB2 ASP 1 HB2 ASP 1 -0.860 10.811 5.417
6 HB3 ASP 1 HB1 ASP 1 0.668 10.809 6.290
7 H VAL 2 H VAL 2 2.529 12.889 5.623
8 HA VAL 2 HA VAL 2 2.648 13.430 2.800
9 HB VAL 2 HB VAL 2 4.923 13.117 4.789
10 HG11 VAL 2 HG11 VAL 2 6.280 14.296 3.110
11 HG12 VAL 2 HG12 VAL 2 4.907 14.283 2.002
12 HG13 VAL 2 3HG1 VAL 2 5.657 12.765 2.495
13 HG21 VAL 2 HG21 VAL 2 3.590 15.628 3.764
14 HG22 VAL 2 HG22 VAL 2 5.018 15.574 4.798
15 HG23 VAL 2 HG23 VAL 2 3.469 14.979 5.397
16 H SER 3 H SER 3 1.981 11.600 1.850
17 HA SER 3 HA SER 3 3.931 9.486 1.617
18 HB2 SER 3 HB2 SER 3 1.065 8.920 2.439
19 HB3 SER 3 HB1 SER 3 2.266 7.704 2.004
20 HG SER 3 HG SER 3 3.207 9.396 3.866
21 HA PRO 4 HA PRO 4 2.410 10.147 -2.595
22 HB2 PRO 4 HB2 PRO 4 3.757 7.542 -3.062
23 HB3 PRO 4 HB1 PRO 4 3.997 9.082 -3.893
24 HG2 PRO 4 HG2 PRO 4 5.827 8.158 -2.192
25 HG3 PRO 4 HG1 PRO 4 5.439 9.887 -2.266
26 HD2 PRO 4 HD2 PRO 4 4.585 7.839 -0.256
27 HD3 PRO 4 HD1 PRO 4 5.085 9.530 -0.021
28 H CYS 5 H CYS 5 0.520 9.525 -3.427
29 HA CYS 5 HA CYS 5 -0.951 7.467 -2.112
30 HB2 CYS 5 HB2 CYS 5 -2.078 9.530 -2.675
31 HB3 CYS 5 HB1 CYS 5 -1.675 9.324 -4.372
32 H PHE 6 H PHE 6 -0.562 5.473 -2.577
33 HA PHE 6 HA PHE 6 -0.842 4.627 -5.365
34 HB2 PHE 6 HB2 PHE 6 0.864 2.854 -5.075
35 HB3 PHE 6 HB1 PHE 6 1.567 4.446 -4.871
36 HD1 PHE 6 HD1 PHE 6 2.341 5.177 -2.672
37 HD2 PHE 6 HD2 PHE 6 0.746 1.278 -3.253
38 HE1 PHE 6 HE1 PHE 6 3.313 4.471 -0.537
39 HE2 PHE 6 HE2 PHE 6 1.713 0.558 -1.110
40 HZ PHE 6 HZ PHE 6 3.001 2.155 0.254
41 H CYS 7 H CYS 7 -1.732 2.436 -5.587
42 HA CYS 7 HA CYS 7 -3.112 1.495 -3.150
43 HB2 CYS 7 HB2 CYS 7 -4.403 1.730 -5.845
44 HB3 CYS 7 HB1 CYS 7 -5.148 1.260 -4.336
45 H VAL 8 H VAL 8 -3.426 -0.562 -2.943
46 HA VAL 8 HA VAL 8 -2.516 -2.313 -5.038
47 HB VAL 8 HB VAL 8 -1.708 -3.667 -3.080
48 HG11 VAL 8 HG11 VAL 8 -0.142 -2.673 -4.716
49 HG12 VAL 8 HG12 VAL 8 0.559 -2.535 -3.103
50 HG13 VAL 8 3HG1 VAL 8 -0.207 -1.136 -3.856
51 HG21 VAL 8 HG21 VAL 8 -0.837 -2.397 -1.124
52 HG22 VAL 8 HG22 VAL 8 -2.596 -2.388 -1.251
53 HG23 VAL 8 HG23 VAL 8 -1.671 -0.971 -1.742
54 H GLU 9 H GLU 9 -3.744 -4.198 -5.152
55 HA GLU 9 HA GLU 9 -6.111 -4.215 -3.454
56 HB2 GLU 9 HB2 GLU 9 -6.530 -4.304 -5.888
57 HB3 GLU 9 HB1 GLU 9 -5.600 -5.798 -5.978
58 HG2 GLU 9 HG2 GLU 9 -7.181 -6.895 -4.487
59 HG3 GLU 9 HG1 GLU 9 -8.106 -5.407 -4.352
60 H ASP 10 H ASP 10 -5.804 -5.263 -1.677
61 HA ASP 10 HA ASP 10 -4.109 -7.611 -1.693
62 HB2 ASP 10 HB2 ASP 10 -3.860 -6.160 0.248
63 HB3 ASP 10 HB1 ASP 10 -5.593 -6.287 0.564
64 H GLU 11 H GLU 11 -4.912 -9.380 -2.360
65 HA GLU 11 HA GLU 11 -7.693 -9.880 -2.494
66 HB2 GLU 11 HB2 GLU 11 -5.342 -11.720 -2.906
67 HB3 GLU 11 HB1 GLU 11 -7.008 -12.132 -3.277
68 HG2 GLU 11 HG2 GLU 11 -7.086 -10.325 -4.927
69 HG3 GLU 11 HG1 GLU 11 -5.418 -9.909 -4.551
70 H THR 12 H THR 12 -5.308 -10.402 -0.057
71 HA THR 12 HA THR 12 -6.434 -12.604 1.289
72 HB THR 12 HB THR 12 -5.045 -10.344 2.717
73 HG1 THR 12 HG1 THR 12 -3.674 -10.478 1.130
74 HG21 THR 12 HG21 THR 12 -5.744 -12.325 4.001
75 HG22 THR 12 HG22 THR 12 -3.985 -12.213 3.926
76 HG23 THR 12 HG23 THR 12 -4.841 -13.361 2.897
77 H SER 13 H SER 13 -6.690 -9.087 1.900
78 HA SER 13 HA SER 13 -8.913 -9.377 3.680
79 HB2 SER 13 HB2 SER 13 -7.930 -6.928 2.262
80 HB3 SER 13 HB1 SER 13 -8.853 -6.983 3.765
81 HG SER 13 HG SER 13 -6.164 -7.677 3.274
82 H GLY 14 H GLY 14 -8.444 -9.073 0.286
83 HA2 GLY 14 HA2 GLY 14 -9.942 -9.293 -1.449
84 HA3 GLY 14 HA1 GLY 14 -11.253 -9.361 -0.277
85 H ALA 15 H ALA 15 -8.947 -6.795 -0.190
86 HA ALA 15 HA ALA 15 -10.794 -4.972 -1.463
87 HB1 ALA 15 HB1 ALA 15 -10.022 -4.687 1.432
88 HB2 ALA 15 HB2 ALA 15 -11.621 -5.118 0.827
89 HB3 ALA 15 HB3 ALA 15 -10.947 -3.523 0.484
90 H LYS 16 H LYS 16 -9.781 -3.304 -2.335
91 HA LYS 16 HA LYS 16 -6.946 -3.131 -2.284
92 HB2 LYS 16 HB2 LYS 16 -8.205 -2.700 -4.312
93 HB3 LYS 16 HB1 LYS 16 -9.116 -1.444 -3.490
94 HG2 LYS 16 HG2 LYS 16 -7.061 -0.123 -3.286
95 HG3 LYS 16 HG1 LYS 16 -6.185 -1.382 -4.145
96 HD2 LYS 16 HD2 LYS 16 -6.830 0.458 -5.654
97 HD3 LYS 16 HD1 LYS 16 -7.565 -1.078 -6.110
98 HE2 LYS 16 HE2 LYS 16 -9.674 -0.397 -5.072
99 HE3 LYS 16 HE1 LYS 16 -8.938 1.113 -4.538
100 HZ1 LYS 16 HZ1 LYS 16 -8.663 1.747 -6.824
101 HZ2 LYS 16 HZ2 LYS 16 -10.281 1.348 -6.562
102 HZ3 LYS 16 HZ3 LYS 16 -9.269 0.276 -7.365
103 H THR 17 H THR 17 -5.701 -1.692 -1.338
104 HA THR 17 HA THR 17 -6.964 0.320 0.321
105 HB THR 17 HB THR 17 -4.641 -1.465 1.149
106 HG1 THR 17 HG1 THR 17 -7.399 -1.418 1.666
107 HG21 THR 17 HG21 THR 17 -4.871 -0.368 3.343
108 HG22 THR 17 HG22 THR 17 -6.158 0.654 2.705
109 HG23 THR 17 HG23 THR 17 -4.513 0.826 2.095
110 H CYS 18 H CYS 18 -5.879 2.237 0.317
111 HA CYS 18 HA CYS 18 -3.560 2.427 -1.445
112 HB2 CYS 18 HB2 CYS 18 -5.537 4.583 -0.733
113 HB3 CYS 18 HB1 CYS 18 -4.234 4.686 -1.886
114 H VAL 19 H VAL 19 -2.146 4.122 -0.841
115 HA VAL 19 HA VAL 19 -2.157 4.739 2.018
116 HB VAL 19 HB VAL 19 0.302 4.161 0.307
117 HG11 VAL 19 HG11 VAL 19 0.113 4.831 3.243
118 HG12 VAL 19 HG12 VAL 19 0.737 5.887 1.978
119 HG13 VAL 19 3HG1 VAL 19 1.588 4.394 2.380
120 HG21 VAL 19 HG21 VAL 19 -0.888 2.107 0.890
121 HG22 VAL 19 HG22 VAL 19 -0.872 2.569 2.592
122 HG23 VAL 19 HG23 VAL 19 0.642 2.209 1.763
123 HA PRO 20 HA PRO 20 -2.340 6.302 3.225
124 HB2 PRO 20 HB2 PRO 20 -3.886 8.464 3.662
125 HB3 PRO 20 HB1 PRO 20 -2.127 8.527 3.836
126 HG2 PRO 20 HG2 PRO 20 -3.838 9.399 1.554
127 HG3 PRO 20 HG1 PRO 20 -2.477 10.242 2.285
128 HD2 PRO 20 HD2 PRO 20 -2.225 8.818 -0.010
129 HD3 PRO 20 HD1 PRO 20 -0.903 8.970 1.162
130 H ASP 21 H ASP 21 -4.548 6.087 4.136
131 HA ASP 21 HA ASP 21 -6.153 4.425 2.631
132 HB2 ASP 21 HB2 ASP 21 -6.188 4.415 5.065
133 HB3 ASP 21 HB1 ASP 21 -6.850 6.046 5.056
134 H ASN 22 H ASN 22 -7.574 4.709 1.153
135 HA ASN 22 HA ASN 22 -8.946 5.537 -0.359
136 HB2 ASN 22 HB2 ASN 22 -9.951 6.901 2.113
137 HB3 ASN 22 HB1 ASN 22 -10.685 7.139 0.529
138 HD21 ASN 22 HD21 ASN 22 -10.096 4.835 3.098
139 HD22 ASN 22 HD22 ASN 22 -11.258 3.682 2.562
140 H CYS 23 H CYS 23 -6.340 7.054 -0.092
141 HA CYS 23 HA CYS 23 -6.845 9.739 -0.636
142 HB2 CYS 23 HB2 CYS 23 -4.621 9.742 -1.792
143 HB3 CYS 23 HB1 CYS 23 -4.587 9.032 -0.185
144 H ASP 24 H ASP 24 -7.063 6.999 -2.620
145 HA ASP 24 HA ASP 24 -7.685 8.690 -4.897
146 HB2 ASP 24 HB2 ASP 24 -6.089 7.020 -5.499
147 HB3 ASP 24 HB1 ASP 24 -7.105 5.736 -4.854
148 H ALA 25 H ALA 25 -9.505 9.315 -3.847
149 HA ALA 25 HA ALA 25 -11.768 7.768 -4.896
150 HB1 ALA 25 HB1 ALA 25 -11.744 9.328 -2.292
151 HB2 ALA 25 HB2 ALA 25 -11.804 7.572 -2.429
152 HB3 ALA 25 HB3 ALA 25 -13.157 8.549 -3.003
153 H SER 26 H SER 26 -9.859 10.115 -5.411
154 HA SER 26 HA SER 26 -11.839 12.147 -6.091
155 HB2 SER 26 HB2 SER 26 -8.933 12.568 -5.387
156 HB3 SER 26 HB1 SER 26 -10.188 13.800 -5.552
157 HG SER 26 HG SER 26 -11.052 13.209 -3.650
158 H ARG 27 H ARG 27 -12.009 12.059 -8.261
159 HA ARG 27 HA ARG 27 -9.619 11.508 -9.858
160 HB2 ARG 27 HB2 ARG 27 -11.384 9.705 -9.835
161 HB3 ARG 27 HB1 ARG 27 -12.499 10.868 -10.520
162 HG2 ARG 27 HG2 ARG 27 -11.657 9.364 -12.211
163 HG3 ARG 27 HG1 ARG 27 -11.106 11.011 -12.516
164 HD2 ARG 27 HD2 ARG 27 -9.357 9.273 -12.860
165 HD3 ARG 27 HD1 ARG 27 -8.923 10.507 -11.685
166 HE ARG 27 HE ARG 27 -9.706 8.789 -9.988
167 HH11 ARG 27 HH11 ARG 27 -8.295 7.799 -13.099
168 HH12 ARG 27 HH12 ARG 27 -7.480 6.458 -12.461
169 HH21 ARG 27 HH21 ARG 27 -8.556 6.915 -9.099
170 HH22 ARG 27 HH22 ARG 27 -7.686 5.918 -10.155
171 H GLY 28 H GLY 28 -9.056 13.554 -10.367
172 HA2 GLY 28 HA2 GLY 28 -11.179 15.337 -11.343
173 HA3 GLY 28 HA1 GLY 28 -9.662 15.885 -10.637
174 H THR 29 H THR 29 -7.700 15.091 -11.810
175 HA THR 29 HA THR 29 -7.925 14.532 -14.577
176 HB THR 29 HB THR 29 -8.479 16.944 -14.652
177 HG1 THR 29 HG1 THR 29 -7.386 16.509 -16.399
178 HG21 THR 29 HG21 THR 29 -5.823 17.377 -13.273
179 HG22 THR 29 HG22 THR 29 -7.415 17.677 -12.576
180 HG23 THR 29 HG23 THR 29 -6.849 18.650 -13.934
181 H ASN 30 H ASN 30 -5.707 14.357 -15.489
182 HA ASN 30 HA ASN 30 -3.852 13.518 -13.402
183 HB2 ASN 30 HB2 ASN 30 -4.281 11.894 -15.176
184 HB3 ASN 30 HB1 ASN 30 -3.803 13.067 -16.395
185 HD21 ASN 30 HD21 ASN 30 -2.167 12.431 -13.298
186 HD22 ASN 30 HD22 ASN 30 -0.702 11.899 -14.035
187 HA PRO 31 HA PRO 31 -1.796 17.440 -14.340
188 HB2 PRO 31 HB2 PRO 31 -0.304 16.939 -11.877
189 HB3 PRO 31 HB1 PRO 31 -1.447 18.241 -12.224
190 HG2 PRO 31 HG2 PRO 31 -1.983 16.255 -10.469
191 HG3 PRO 31 HG1 PRO 31 -3.243 17.032 -11.444
192 HD2 PRO 31 HD2 PRO 31 -1.853 14.414 -11.891
193 HD3 PRO 31 HD1 PRO 31 -3.578 14.836 -12.017
Start of MODEL 3
1 H1 ASP 1 HT1 ASP 1 6.877 14.416 5.240
2 H2 ASP 1 HT2 ASP 1 6.486 13.002 4.355
3 H3 ASP 1 HT3 ASP 1 5.645 13.386 5.744
4 HA ASP 1 HA ASP 1 4.653 15.270 4.789
5 HB2 ASP 1 HB2 ASP 1 6.676 15.748 3.276
6 HB3 ASP 1 HB1 ASP 1 6.085 14.478 2.216
7 H VAL 2 H VAL 2 3.255 14.791 2.374
8 HA VAL 2 HA VAL 2 1.780 12.455 3.171
9 HB VAL 2 HB VAL 2 1.335 14.344 0.833
10 HG11 VAL 2 HG11 VAL 2 0.217 12.200 0.531
11 HG12 VAL 2 HG12 VAL 2 -0.963 13.475 0.832
12 HG13 VAL 2 3HG1 VAL 2 -0.532 12.352 2.121
13 HG21 VAL 2 HG21 VAL 2 1.226 15.572 2.924
14 HG22 VAL 2 HG22 VAL 2 0.113 14.378 3.590
15 HG23 VAL 2 HG23 VAL 2 -0.394 15.397 2.243
16 H SER 3 H SER 3 2.195 10.550 2.359
17 HA SER 3 HA SER 3 4.261 10.081 0.513
18 HB2 SER 3 HB2 SER 3 2.084 8.237 1.477
19 HB3 SER 3 HB1 SER 3 3.639 7.766 0.790
20 HG SER 3 HG SER 3 4.470 9.171 2.613
21 HA PRO 4 HA PRO 4 1.972 10.137 -3.395
22 HB2 PRO 4 HB2 PRO 4 3.678 7.762 -3.969
23 HB3 PRO 4 HB1 PRO 4 3.436 9.225 -4.934
24 HG2 PRO 4 HG2 PRO 4 5.712 8.859 -3.599
25 HG3 PRO 4 HG1 PRO 4 4.953 10.459 -3.680
26 HD2 PRO 4 HD2 PRO 4 4.975 8.485 -1.444
27 HD3 PRO 4 HD1 PRO 4 5.096 10.259 -1.392
28 H CYS 5 H CYS 5 0.081 9.134 -3.701
29 HA CYS 5 HA CYS 5 -0.560 7.019 -1.895
30 HB2 CYS 5 HB2 CYS 5 -2.216 8.808 -2.495
31 HB3 CYS 5 HB1 CYS 5 -2.265 8.029 -4.095
32 H PHE 6 H PHE 6 -0.382 4.982 -2.266
33 HA PHE 6 HA PHE 6 -0.633 4.146 -5.032
34 HB2 PHE 6 HB2 PHE 6 1.734 3.987 -3.999
35 HB3 PHE 6 HB1 PHE 6 1.071 2.655 -3.049
36 HD1 PHE 6 HD1 PHE 6 1.252 3.884 -6.522
37 HD2 PHE 6 HD2 PHE 6 1.165 0.510 -3.944
38 HE1 PHE 6 HE1 PHE 6 1.571 2.457 -8.440
39 HE2 PHE 6 HE2 PHE 6 1.497 -0.975 -5.878
40 HZ PHE 6 HZ PHE 6 1.704 -0.015 -8.144
41 H CYS 7 H CYS 7 -2.122 2.672 -5.351
42 HA CYS 7 HA CYS 7 -3.362 1.444 -3.003
43 HB2 CYS 7 HB2 CYS 7 -4.590 2.129 -5.665
44 HB3 CYS 7 HB1 CYS 7 -5.406 1.298 -4.354
45 H VAL 8 H VAL 8 -3.966 -0.662 -3.154
46 HA VAL 8 HA VAL 8 -3.066 -2.241 -5.434
47 HB VAL 8 HB VAL 8 -2.380 -3.027 -2.598
48 HG11 VAL 8 HG11 VAL 8 -0.868 -4.659 -3.617
49 HG12 VAL 8 HG12 VAL 8 -1.392 -4.118 -5.211
50 HG13 VAL 8 3HG1 VAL 8 -2.550 -4.868 -4.110
51 HG21 VAL 8 HG21 VAL 8 -0.464 -1.749 -4.554
52 HG22 VAL 8 HG22 VAL 8 -0.002 -2.492 -3.023
53 HG23 VAL 8 HG23 VAL 8 -1.023 -1.053 -3.033
54 H GLU 9 H GLU 9 -4.325 -4.131 -5.510
55 HA GLU 9 HA GLU 9 -6.663 -4.083 -3.788
56 HB2 GLU 9 HB2 GLU 9 -6.867 -4.508 -6.268
57 HB3 GLU 9 HB1 GLU 9 -5.978 -6.004 -6.031
58 HG2 GLU 9 HG2 GLU 9 -7.744 -6.847 -4.590
59 HG3 GLU 9 HG1 GLU 9 -8.630 -5.334 -4.774
60 H ASP 10 H ASP 10 -6.316 -4.922 -1.871
61 HA ASP 10 HA ASP 10 -4.113 -6.673 -1.404
62 HB2 ASP 10 HB2 ASP 10 -4.715 -4.916 0.210
63 HB3 ASP 10 HB1 ASP 10 -6.270 -5.699 0.472
64 H GLU 11 H GLU 11 -4.236 -8.680 -1.766
65 HA GLU 11 HA GLU 11 -6.620 -10.087 -2.302
66 HB2 GLU 11 HB2 GLU 11 -5.114 -12.056 -2.524
67 HB3 GLU 11 HB1 GLU 11 -4.632 -10.618 -3.422
68 HG2 GLU 11 HG2 GLU 11 -2.963 -10.093 -1.743
69 HG3 GLU 11 HG1 GLU 11 -3.422 -11.527 -0.828
70 H THR 12 H THR 12 -4.965 -9.514 0.602
71 HA THR 12 HA THR 12 -5.895 -11.845 1.988
72 HB THR 12 HB THR 12 -4.849 -9.244 3.133
73 HG1 THR 12 HG1 THR 12 -3.035 -9.782 2.262
74 HG21 THR 12 HG21 THR 12 -5.835 -10.806 4.773
75 HG22 THR 12 HG22 THR 12 -4.090 -10.667 4.987
76 HG23 THR 12 HG23 THR 12 -4.769 -12.083 4.190
77 H SER 13 H SER 13 -6.804 -8.483 1.703
78 HA SER 13 HA SER 13 -9.134 -8.781 3.401
79 HB2 SER 13 HB2 SER 13 -8.289 -6.487 1.680
80 HB3 SER 13 HB1 SER 13 -9.426 -6.426 3.028
81 HG SER 13 HG SER 13 -6.666 -7.104 3.182
82 H GLY 14 H GLY 14 -8.341 -8.767 0.010
83 HA2 GLY 14 HA2 GLY 14 -9.618 -9.380 -1.801
84 HA3 GLY 14 HA1 GLY 14 -11.007 -9.565 -0.728
85 H ALA 15 H ALA 15 -9.035 -6.702 -0.761
86 HA ALA 15 HA ALA 15 -10.825 -5.174 -2.372
87 HB1 ALA 15 HB1 ALA 15 -12.134 -5.345 -0.304
88 HB2 ALA 15 HB2 ALA 15 -11.593 -3.694 -0.599
89 HB3 ALA 15 HB3 ALA 15 -10.774 -4.687 0.609
90 H LYS 16 H LYS 16 -10.122 -2.899 -2.415
91 HA LYS 16 HA LYS 16 -7.302 -2.720 -2.623
92 HB2 LYS 16 HB2 LYS 16 -9.515 -0.730 -2.958
93 HB3 LYS 16 HB1 LYS 16 -7.820 -0.313 -3.151
94 HG2 LYS 16 HG2 LYS 16 -7.574 -1.578 -5.040
95 HG3 LYS 16 HG1 LYS 16 -8.958 -2.599 -4.697
96 HD2 LYS 16 HD2 LYS 16 -9.487 -1.068 -6.531
97 HD3 LYS 16 HD1 LYS 16 -10.435 -0.635 -5.117
98 HE2 LYS 16 HE2 LYS 16 -8.767 1.112 -4.578
99 HE3 LYS 16 HE1 LYS 16 -7.912 0.717 -6.067
100 HZ1 LYS 16 HZ1 LYS 16 -10.696 1.699 -5.870
101 HZ2 LYS 16 HZ2 LYS 16 -9.894 1.353 -7.316
102 HZ3 LYS 16 HZ3 LYS 16 -9.367 2.614 -6.336
103 H THR 17 H THR 17 -5.869 -1.719 -1.512
104 HA THR 17 HA THR 17 -6.643 -0.235 0.861
105 HB THR 17 HB THR 17 -5.741 -2.437 1.547
106 HG1 THR 17 HG1 THR 17 -5.098 -0.325 2.592
107 HG21 THR 17 HG21 THR 17 -3.415 -3.091 1.065
108 HG22 THR 17 HG22 THR 17 -3.228 -1.659 0.054
109 HG23 THR 17 HG23 THR 17 -4.350 -2.930 -0.428
110 H CYS 18 H CYS 18 -5.365 1.595 1.126
111 HA CYS 18 HA CYS 18 -3.432 2.127 -1.011
112 HB2 CYS 18 HB2 CYS 18 -5.502 4.123 -0.101
113 HB3 CYS 18 HB1 CYS 18 -4.276 4.359 -1.318
114 H VAL 19 H VAL 19 -2.119 3.939 -0.537
115 HA VAL 19 HA VAL 19 -1.978 4.736 2.227
116 HB VAL 19 HB VAL 19 -0.451 2.868 2.112
117 HG11 VAL 19 HG11 VAL 19 0.937 4.209 -0.196
118 HG12 VAL 19 HG12 VAL 19 -0.039 2.744 -0.260
119 HG13 VAL 19 3HG1 VAL 19 1.484 2.744 0.625
120 HG21 VAL 19 HG21 VAL 19 0.287 4.699 3.508
121 HG22 VAL 19 HG22 VAL 19 1.079 5.467 2.133
122 HG23 VAL 19 HG23 VAL 19 1.686 3.932 2.757
123 HA PRO 20 HA PRO 20 -2.420 6.510 3.157
124 HB2 PRO 20 HB2 PRO 20 -4.086 8.594 2.876
125 HB3 PRO 20 HB1 PRO 20 -2.415 8.767 3.425
126 HG2 PRO 20 HG2 PRO 20 -3.570 9.154 0.684
127 HG3 PRO 20 HG1 PRO 20 -2.457 10.216 1.544
128 HD2 PRO 20 HD2 PRO 20 -1.583 8.512 -0.331
129 HD3 PRO 20 HD1 PRO 20 -0.625 8.832 1.129
130 H ASP 21 H ASP 21 -4.400 5.900 3.750
131 HA ASP 21 HA ASP 21 -5.840 4.261 1.967
132 HB2 ASP 21 HB2 ASP 21 -5.746 3.691 4.308
133 HB3 ASP 21 HB1 ASP 21 -6.527 5.209 4.738
134 H ASN 22 H ASN 22 -7.562 4.581 0.760
135 HA ASN 22 HA ASN 22 -9.018 5.600 -0.465
136 HB2 ASN 22 HB2 ASN 22 -9.886 6.404 2.265
137 HB3 ASN 22 HB1 ASN 22 -10.744 6.960 0.828
138 HD21 ASN 22 HD21 ASN 22 -11.557 5.152 2.954
139 HD22 ASN 22 HD22 ASN 22 -12.047 3.683 2.184
140 H CYS 23 H CYS 23 -6.544 6.997 -0.396
141 HA CYS 23 HA CYS 23 -6.830 9.749 -0.426
142 HB2 CYS 23 HB2 CYS 23 -4.931 9.719 -1.993
143 HB3 CYS 23 HB1 CYS 23 -4.728 8.479 -0.767
144 H ASP 24 H ASP 24 -7.808 7.373 -2.641
145 HA ASP 24 HA ASP 24 -8.999 9.300 -4.486
146 HB2 ASP 24 HB2 ASP 24 -7.467 7.670 -5.539
147 HB3 ASP 24 HB1 ASP 24 -8.390 6.344 -4.862
148 H ALA 25 H ALA 25 -10.622 9.671 -2.974
149 HA ALA 25 HA ALA 25 -12.587 7.482 -2.809
150 HB1 ALA 25 HB1 ALA 25 -13.504 8.473 -0.797
151 HB2 ALA 25 HB2 ALA 25 -12.409 9.843 -0.943
152 HB3 ALA 25 HB3 ALA 25 -11.765 8.236 -0.610
153 H SER 26 H SER 26 -12.005 10.327 -4.355
154 HA SER 26 HA SER 26 -14.808 10.515 -5.101
155 HB2 SER 26 HB2 SER 26 -12.988 12.875 -4.543
156 HB3 SER 26 HB1 SER 26 -14.636 12.970 -5.168
157 HG SER 26 HG SER 26 -13.748 12.084 -2.647
158 H ARG 27 H ARG 27 -15.114 10.878 -7.274
159 HA ARG 27 HA ARG 27 -12.746 10.485 -8.891
160 HB2 ARG 27 HB2 ARG 27 -14.739 9.048 -9.244
161 HB3 ARG 27 HB1 ARG 27 -15.657 10.479 -9.689
162 HG2 ARG 27 HG2 ARG 27 -14.934 9.182 -11.652
163 HG3 ARG 27 HG1 ARG 27 -14.262 10.816 -11.630
164 HD2 ARG 27 HD2 ARG 27 -12.624 9.040 -12.279
165 HD3 ARG 27 HD1 ARG 27 -12.130 10.009 -10.890
166 HE ARG 27 HE ARG 27 -13.403 7.378 -10.612
167 HH11 ARG 27 HH11 ARG 27 -10.690 9.568 -9.853
168 HH12 ARG 27 HH12 ARG 27 -10.093 8.559 -8.615
169 HH21 ARG 27 HH21 ARG 27 -12.510 6.043 -8.903
170 HH22 ARG 27 HH22 ARG 27 -11.102 6.572 -8.073
171 H GLY 28 H GLY 28 -11.732 12.239 -9.412
172 HA2 GLY 28 HA2 GLY 28 -12.756 14.833 -9.499
173 HA3 GLY 28 HA1 GLY 28 -11.256 14.297 -10.250
174 H THR 29 H THR 29 -13.672 16.009 -11.035
175 HA THR 29 HA THR 29 -14.854 14.635 -13.212
176 HB THR 29 HB THR 29 -14.825 17.614 -12.671
177 HG1 THR 29 HG1 THR 29 -16.288 15.440 -11.601
178 HG21 THR 29 HG21 THR 29 -15.717 16.875 -14.862
179 HG22 THR 29 HG22 THR 29 -16.963 17.560 -13.822
180 HG23 THR 29 HG23 THR 29 -16.845 15.811 -14.020
181 H ASN 30 H ASN 30 -12.063 16.678 -12.805
182 HA ASN 30 HA ASN 30 -11.664 16.718 -15.696
183 HB2 ASN 30 HB2 ASN 30 -10.244 18.231 -13.494
184 HB3 ASN 30 HB1 ASN 30 -9.776 18.288 -15.187
185 HD21 ASN 30 HD21 ASN 30 -10.634 20.443 -13.500
186 HD22 ASN 30 HD22 ASN 30 -12.035 21.132 -14.236
187 HA PRO 31 HA PRO 31 -8.743 13.444 -14.726
188 HB2 PRO 31 HB2 PRO 31 -8.805 12.523 -17.400
189 HB3 PRO 31 HB1 PRO 31 -9.697 11.859 -16.033
190 HG2 PRO 31 HG2 PRO 31 -10.802 13.163 -18.250
191 HG3 PRO 31 HG1 PRO 31 -11.635 12.807 -16.729
192 HD2 PRO 31 HD2 PRO 31 -10.404 15.346 -17.677
193 HD3 PRO 31 HD1 PRO 31 -11.829 15.068 -16.644
Start of MODEL 4
1 H1 ASP 1 HT1 ASP 1 6.202 9.047 8.109
2 H2 ASP 1 HT2 ASP 1 6.939 7.579 8.526
3 H3 ASP 1 HT3 ASP 1 5.429 7.606 7.735
4 HA ASP 1 HA ASP 1 7.908 8.653 6.569
5 HB2 ASP 1 HB2 ASP 1 6.459 6.041 6.037
6 HB3 ASP 1 HB1 ASP 1 7.769 6.679 5.054
7 H VAL 2 H VAL 2 7.573 9.029 4.243
8 HA VAL 2 HA VAL 2 4.968 10.157 3.833
9 HB VAL 2 HB VAL 2 5.846 10.990 1.680
10 HG11 VAL 2 HG11 VAL 2 7.479 12.556 2.626
11 HG12 VAL 2 HG12 VAL 2 7.576 11.547 4.073
12 HG13 VAL 2 3HG1 VAL 2 6.063 12.344 3.651
13 HG21 VAL 2 HG21 VAL 2 8.430 9.659 2.515
14 HG22 VAL 2 HG22 VAL 2 8.227 10.735 1.133
15 HG23 VAL 2 HG23 VAL 2 7.405 9.178 1.166
16 H SER 3 H SER 3 3.517 9.575 2.229
17 HA SER 3 HA SER 3 4.056 7.106 0.829
18 HB2 SER 3 HB2 SER 3 1.656 7.597 2.595
19 HB3 SER 3 HB1 SER 3 1.829 6.242 1.475
20 HG SER 3 HG SER 3 3.824 5.814 2.614
21 HA PRO 4 HA PRO 4 2.115 9.782 -2.328
22 HB2 PRO 4 HB2 PRO 4 3.079 7.460 -3.910
23 HB3 PRO 4 HB1 PRO 4 3.327 9.174 -4.231
24 HG2 PRO 4 HG2 PRO 4 5.335 7.678 -3.367
25 HG3 PRO 4 HG1 PRO 4 5.107 9.317 -2.726
26 HD2 PRO 4 HD2 PRO 4 4.402 6.685 -1.482
27 HD3 PRO 4 HD1 PRO 4 5.149 8.121 -0.742
28 H CYS 5 H CYS 5 0.100 9.385 -3.285
29 HA CYS 5 HA CYS 5 -1.506 7.379 -2.174
30 HB2 CYS 5 HB2 CYS 5 -2.367 9.527 -3.171
31 HB3 CYS 5 HB1 CYS 5 -1.989 8.806 -4.750
32 H PHE 6 H PHE 6 -1.171 5.307 -2.522
33 HA PHE 6 HA PHE 6 -1.117 4.439 -5.301
34 HB2 PHE 6 HB2 PHE 6 1.190 4.417 -4.168
35 HB3 PHE 6 HB1 PHE 6 0.555 3.096 -3.188
36 HD1 PHE 6 HD1 PHE 6 1.115 4.196 -6.640
37 HD2 PHE 6 HD2 PHE 6 0.537 0.906 -4.021
38 HE1 PHE 6 HE1 PHE 6 1.628 2.707 -8.461
39 HE2 PHE 6 HE2 PHE 6 1.053 -0.645 -5.840
40 HZ PHE 6 HZ PHE 6 1.609 0.235 -8.093
41 H CYS 7 H CYS 7 -2.332 2.608 -5.667
42 HA CYS 7 HA CYS 7 -3.635 1.431 -3.317
43 HB2 CYS 7 HB2 CYS 7 -4.894 1.873 -6.025
44 HB3 CYS 7 HB1 CYS 7 -5.678 1.237 -4.590
45 H VAL 8 H VAL 8 -4.087 -0.789 -3.455
46 HA VAL 8 HA VAL 8 -3.145 -2.263 -5.723
47 HB VAL 8 HB VAL 8 -1.140 -1.953 -4.473
48 HG11 VAL 8 HG11 VAL 8 -2.534 -3.260 -2.131
49 HG12 VAL 8 HG12 VAL 8 -1.978 -1.590 -2.228
50 HG13 VAL 8 3HG1 VAL 8 -0.806 -2.907 -2.191
51 HG21 VAL 8 HG21 VAL 8 -2.114 -4.796 -4.263
52 HG22 VAL 8 HG22 VAL 8 -0.424 -4.312 -4.122
53 HG23 VAL 8 HG23 VAL 8 -1.292 -4.049 -5.633
54 H GLU 9 H GLU 9 -3.794 -4.381 -5.590
55 HA GLU 9 HA GLU 9 -6.260 -4.648 -4.066
56 HB2 GLU 9 HB2 GLU 9 -6.178 -5.222 -6.521
57 HB3 GLU 9 HB1 GLU 9 -5.166 -6.597 -6.098
58 HG2 GLU 9 HG2 GLU 9 -6.908 -7.586 -4.831
59 HG3 GLU 9 HG1 GLU 9 -7.917 -6.148 -4.981
60 H ASP 10 H ASP 10 -6.077 -5.300 -2.115
61 HA ASP 10 HA ASP 10 -3.839 -6.952 -1.281
62 HB2 ASP 10 HB2 ASP 10 -4.393 -4.913 -0.002
63 HB3 ASP 10 HB1 ASP 10 -5.996 -5.572 0.307
64 H GLU 11 H GLU 11 -4.013 -8.952 -1.127
65 HA GLU 11 HA GLU 11 -6.414 -10.377 -1.554
66 HB2 GLU 11 HB2 GLU 11 -3.661 -11.253 -0.784
67 HB3 GLU 11 HB1 GLU 11 -4.987 -12.390 -0.967
68 HG2 GLU 11 HG2 GLU 11 -3.909 -10.548 -3.076
69 HG3 GLU 11 HG1 GLU 11 -3.679 -12.298 -2.987
70 H THR 12 H THR 12 -5.043 -9.163 1.335
71 HA THR 12 HA THR 12 -6.219 -11.203 2.977
72 HB THR 12 HB THR 12 -5.158 -8.466 3.781
73 HG1 THR 12 HG1 THR 12 -3.501 -9.686 2.965
74 HG21 THR 12 HG21 THR 12 -5.720 -10.915 5.464
75 HG22 THR 12 HG22 THR 12 -6.683 -9.439 5.455
76 HG23 THR 12 HG23 THR 12 -5.021 -9.403 6.044
77 H SER 13 H SER 13 -6.950 -7.815 2.193
78 HA SER 13 HA SER 13 -9.564 -8.092 3.396
79 HB2 SER 13 HB2 SER 13 -8.280 -5.814 1.942
80 HB3 SER 13 HB1 SER 13 -9.849 -5.721 2.752
81 HG SER 13 HG SER 13 -8.896 -5.522 4.553
82 H GLY 14 H GLY 14 -8.244 -8.657 0.333
83 HA2 GLY 14 HA2 GLY 14 -9.196 -9.563 -1.537
84 HA3 GLY 14 HA1 GLY 14 -10.733 -9.613 -0.692
85 H ALA 15 H ALA 15 -8.899 -6.710 -1.051
86 HA ALA 15 HA ALA 15 -10.446 -5.710 -3.265
87 HB1 ALA 15 HB1 ALA 15 -12.076 -5.464 -1.444
88 HB2 ALA 15 HB2 ALA 15 -11.531 -3.890 -2.025
89 HB3 ALA 15 HB3 ALA 15 -10.898 -4.539 -0.513
90 H LYS 16 H LYS 16 -9.881 -3.427 -3.707
91 HA LYS 16 HA LYS 16 -7.069 -3.075 -3.330
92 HB2 LYS 16 HB2 LYS 16 -9.116 -1.462 -4.839
93 HB3 LYS 16 HB1 LYS 16 -7.436 -0.967 -4.679
94 HG2 LYS 16 HG2 LYS 16 -6.680 -2.909 -5.809
95 HG3 LYS 16 HG1 LYS 16 -8.293 -3.594 -5.854
96 HD2 LYS 16 HD2 LYS 16 -9.008 -1.688 -7.276
97 HD3 LYS 16 HD1 LYS 16 -7.360 -1.062 -7.224
98 HE2 LYS 16 HE2 LYS 16 -7.681 -2.229 -9.306
99 HE3 LYS 16 HE1 LYS 16 -6.583 -3.156 -8.296
100 HZ1 LYS 16 HZ1 LYS 16 -8.260 -4.485 -9.454
101 HZ2 LYS 16 HZ2 LYS 16 -9.484 -3.762 -8.553
102 HZ3 LYS 16 HZ3 LYS 16 -8.335 -4.724 -7.803
103 H THR 17 H THR 17 -6.073 -1.959 -1.988
104 HA THR 17 HA THR 17 -7.562 -0.123 -0.269
105 HB THR 17 HB THR 17 -5.184 -1.857 0.486
106 HG1 THR 17 HG1 THR 17 -7.308 -2.901 -0.086
107 HG21 THR 17 HG21 THR 17 -5.551 0.159 1.859
108 HG22 THR 17 HG22 THR 17 -5.873 -1.313 2.777
109 HG23 THR 17 HG23 THR 17 -7.215 -0.350 2.152
110 H CYS 18 H CYS 18 -6.310 1.804 0.252
111 HA CYS 18 HA CYS 18 -4.010 2.120 -1.510
112 HB2 CYS 18 HB2 CYS 18 -5.874 4.305 -0.654
113 HB3 CYS 18 HB1 CYS 18 -4.593 4.391 -1.831
114 H VAL 19 H VAL 19 -2.512 3.578 -0.850
115 HA VAL 19 HA VAL 19 -2.333 4.105 2.029
116 HB VAL 19 HB VAL 19 0.013 3.295 0.261
117 HG11 VAL 19 HG11 VAL 19 1.274 3.122 2.345
118 HG12 VAL 19 HG12 VAL 19 -0.153 3.615 3.251
119 HG13 VAL 19 3HG1 VAL 19 0.608 4.744 2.133
120 HG21 VAL 19 HG21 VAL 19 -1.407 1.601 2.324
121 HG22 VAL 19 HG22 VAL 19 0.072 1.154 1.473
122 HG23 VAL 19 HG23 VAL 19 -1.435 1.350 0.579
123 HA PRO 20 HA PRO 20 -1.936 5.693 3.367
124 HB2 PRO 20 HB2 PRO 20 -3.210 8.017 3.857
125 HB3 PRO 20 HB1 PRO 20 -1.443 7.874 3.931
126 HG2 PRO 20 HG2 PRO 20 -3.199 8.922 1.758
127 HG3 PRO 20 HG1 PRO 20 -1.692 9.596 2.368
128 HD2 PRO 20 HD2 PRO 20 -1.752 8.162 0.088
129 HD3 PRO 20 HD1 PRO 20 -0.373 8.085 1.198
130 H ASP 21 H ASP 21 -3.985 5.750 4.572
131 HA ASP 21 HA ASP 21 -6.058 4.391 3.406
132 HB2 ASP 21 HB2 ASP 21 -5.784 4.479 5.819
133 HB3 ASP 21 HB1 ASP 21 -6.106 6.215 5.771
134 H ASN 22 H ASN 22 -7.345 4.916 1.967
135 HA ASN 22 HA ASN 22 -8.385 6.003 0.401
136 HB2 ASN 22 HB2 ASN 22 -9.620 7.141 2.863
137 HB3 ASN 22 HB1 ASN 22 -10.115 7.681 1.260
138 HD21 ASN 22 HD21 ASN 22 -9.805 5.137 -0.061
139 HD22 ASN 22 HD22 ASN 22 -11.045 4.120 0.543
140 H CYS 23 H CYS 23 -6.011 6.885 0.203
141 HA CYS 23 HA CYS 23 -5.999 9.725 -0.076
142 HB2 CYS 23 HB2 CYS 23 -3.963 9.353 -1.376
143 HB3 CYS 23 HB1 CYS 23 -3.936 8.347 0.069
144 H ASP 24 H ASP 24 -7.550 7.215 -1.598
145 HA ASP 24 HA ASP 24 -7.435 8.204 -4.228
146 HB2 ASP 24 HB2 ASP 24 -8.873 6.294 -4.813
147 HB3 ASP 24 HB1 ASP 24 -7.479 5.792 -3.880
148 H ALA 25 H ALA 25 -8.156 10.150 -3.699
149 HA ALA 25 HA ALA 25 -11.084 10.407 -3.808
150 HB1 ALA 25 HB1 ALA 25 -11.069 12.237 -2.201
151 HB2 ALA 25 HB2 ALA 25 -9.327 12.055 -2.000
152 HB3 ALA 25 HB3 ALA 25 -10.413 10.762 -1.489
153 H SER 26 H SER 26 -8.309 11.014 -5.372
154 HA SER 26 HA SER 26 -9.207 13.631 -6.287
155 HB2 SER 26 HB2 SER 26 -6.759 13.936 -6.891
156 HB3 SER 26 HB1 SER 26 -7.164 13.937 -5.177
157 HG SER 26 HG SER 26 -5.657 12.174 -6.638
158 H ARG 27 H ARG 27 -9.711 10.748 -7.158
159 HA ARG 27 HA ARG 27 -8.844 11.044 -9.913
160 HB2 ARG 27 HB2 ARG 27 -9.175 8.593 -10.087
161 HB3 ARG 27 HB1 ARG 27 -7.898 9.046 -8.969
162 HG2 ARG 27 HG2 ARG 27 -9.423 8.646 -7.090
163 HG3 ARG 27 HG1 ARG 27 -10.684 8.189 -8.233
164 HD2 ARG 27 HD2 ARG 27 -9.356 6.342 -9.021
165 HD3 ARG 27 HD1 ARG 27 -8.012 6.825 -7.988
166 HE ARG 27 HE ARG 27 -10.120 6.467 -6.291
167 HH11 ARG 27 HH11 ARG 27 -8.577 4.416 -8.711
168 HH12 ARG 27 HH12 ARG 27 -8.701 2.986 -7.810
169 HH21 ARG 27 HH21 ARG 27 -10.279 4.458 -4.996
170 HH22 ARG 27 HH22 ARG 27 -9.729 3.005 -5.682
171 H GLY 28 H GLY 28 -10.338 10.218 -11.412
172 HA2 GLY 28 HA2 GLY 28 -12.760 9.510 -11.682
173 HA3 GLY 28 HA1 GLY 28 -13.103 10.889 -10.638
174 H THR 29 H THR 29 -12.572 13.001 -11.404
175 HA THR 29 HA THR 29 -13.135 13.230 -14.202
176 HB THR 29 HB THR 29 -13.041 15.706 -13.747
177 HG1 THR 29 HG1 THR 29 -12.964 15.069 -10.994
178 HG21 THR 29 HG21 THR 29 -15.150 14.488 -13.603
179 HG22 THR 29 HG22 THR 29 -15.080 15.733 -12.353
180 HG23 THR 29 HG23 THR 29 -14.796 14.044 -11.936
181 H ASN 30 H ASN 30 -10.397 13.855 -12.092
182 HA ASN 30 HA ASN 30 -8.767 14.605 -14.376
183 HB2 ASN 30 HB2 ASN 30 -8.092 14.510 -11.418
184 HB3 ASN 30 HB1 ASN 30 -6.935 14.924 -12.673
185 HD21 ASN 30 HD21 ASN 30 -9.661 15.987 -10.839
186 HD22 ASN 30 HD22 ASN 30 -9.619 17.631 -11.364
187 HA PRO 31 HA PRO 31 -7.378 10.435 -15.056
188 HB2 PRO 31 HB2 PRO 31 -4.882 11.729 -16.014
189 HB3 PRO 31 HB1 PRO 31 -5.952 10.604 -16.854
190 HG2 PRO 31 HG2 PRO 31 -5.927 13.186 -17.495
191 HG3 PRO 31 HG1 PRO 31 -7.443 12.267 -17.464
192 HD2 PRO 31 HD2 PRO 31 -6.369 14.216 -15.464
193 HD3 PRO 31 HD1 PRO 31 -8.029 13.973 -16.054
Start of MODEL 5
1 H1 ASP 1 HT1 ASP 1 -1.142 14.026 4.559
2 H2 ASP 1 HT2 ASP 1 0.138 13.791 5.603
3 H3 ASP 1 HT3 ASP 1 -0.425 12.519 4.630
4 HA ASP 1 HA ASP 1 0.797 15.012 3.612
5 HB2 ASP 1 HB2 ASP 1 1.904 12.190 3.651
6 HB3 ASP 1 HB1 ASP 1 2.634 13.545 2.807
7 H VAL 2 H VAL 2 0.440 15.367 1.485
8 HA VAL 2 HA VAL 2 -1.267 13.483 0.167
9 HB VAL 2 HB VAL 2 -1.293 15.144 -1.770
10 HG11 VAL 2 HG11 VAL 2 -2.134 16.146 0.942
11 HG12 VAL 2 HG12 VAL 2 -3.067 15.073 -0.102
12 HG13 VAL 2 3HG1 VAL 2 -2.748 16.735 -0.601
13 HG21 VAL 2 HG21 VAL 2 0.176 16.892 0.222
14 HG22 VAL 2 HG22 VAL 2 -0.510 17.433 -1.309
15 HG23 VAL 2 HG23 VAL 2 0.830 16.287 -1.300
16 H SER 3 H SER 3 0.416 11.853 0.297
17 HA SER 3 HA SER 3 2.534 11.970 -1.620
18 HB2 SER 3 HB2 SER 3 2.741 9.522 -0.870
19 HB3 SER 3 HB1 SER 3 2.959 10.745 0.385
20 HG SER 3 HG SER 3 0.708 9.123 -0.136
21 HA PRO 4 HA PRO 4 0.383 10.425 -5.224
22 HB2 PRO 4 HB2 PRO 4 2.357 8.186 -5.304
23 HB3 PRO 4 HB1 PRO 4 1.892 9.328 -6.571
24 HG2 PRO 4 HG2 PRO 4 4.219 9.595 -5.318
25 HG3 PRO 4 HG1 PRO 4 3.246 11.013 -5.751
26 HD2 PRO 4 HD2 PRO 4 3.619 9.714 -3.089
27 HD3 PRO 4 HD1 PRO 4 3.444 11.431 -3.500
28 H CYS 5 H CYS 5 -1.421 9.280 -5.281
29 HA CYS 5 HA CYS 5 -2.193 7.525 -3.199
30 HB2 CYS 5 HB2 CYS 5 -3.737 9.011 -4.574
31 HB3 CYS 5 HB1 CYS 5 -3.408 7.846 -5.877
32 H PHE 6 H PHE 6 -1.188 5.628 -3.093
33 HA PHE 6 HA PHE 6 -1.240 4.012 -5.538
34 HB2 PHE 6 HB2 PHE 6 1.057 4.684 -4.648
35 HB3 PHE 6 HB1 PHE 6 0.720 3.619 -3.282
36 HD1 PHE 6 HD1 PHE 6 1.262 1.351 -3.455
37 HD2 PHE 6 HD2 PHE 6 0.754 3.701 -6.947
38 HE1 PHE 6 HE1 PHE 6 1.970 -0.556 -4.838
39 HE2 PHE 6 HE2 PHE 6 1.433 1.877 -8.332
40 HZ PHE 6 HZ PHE 6 2.069 -0.317 -7.298
41 H CYS 7 H CYS 7 -2.268 2.095 -5.372
42 HA CYS 7 HA CYS 7 -3.183 1.385 -2.689
43 HB2 CYS 7 HB2 CYS 7 -4.618 0.928 -5.287
44 HB3 CYS 7 HB1 CYS 7 -5.180 0.461 -3.701
45 H VAL 8 H VAL 8 -3.151 -0.662 -2.121
46 HA VAL 8 HA VAL 8 -1.848 -2.587 -3.937
47 HB VAL 8 HB VAL 8 -1.632 -2.685 -0.948
48 HG11 VAL 8 HG11 VAL 8 0.293 -4.168 -1.353
49 HG12 VAL 8 HG12 VAL 8 -0.011 -4.039 -3.084
50 HG13 VAL 8 3HG1 VAL 8 -1.216 -4.778 -2.032
51 HG21 VAL 8 HG21 VAL 8 0.670 -1.767 -1.088
52 HG22 VAL 8 HG22 VAL 8 -0.550 -0.595 -1.586
53 HG23 VAL 8 HG23 VAL 8 0.407 -1.439 -2.801
54 H GLU 9 H GLU 9 -2.819 -4.496 -3.974
55 HA GLU 9 HA GLU 9 -5.553 -4.588 -2.909
56 HB2 GLU 9 HB2 GLU 9 -5.171 -5.011 -5.314
57 HB3 GLU 9 HB1 GLU 9 -4.126 -6.361 -4.909
58 HG2 GLU 9 HG2 GLU 9 -6.275 -7.200 -5.582
59 HG3 GLU 9 HG1 GLU 9 -6.060 -7.496 -3.859
60 H ASP 10 H ASP 10 -6.107 -5.901 -1.308
61 HA ASP 10 HA ASP 10 -4.183 -7.947 -0.464
62 HB2 ASP 10 HB2 ASP 10 -5.174 -6.539 1.367
63 HB3 ASP 10 HB1 ASP 10 -6.776 -7.089 0.885
64 H GLU 11 H GLU 11 -4.418 -9.682 -1.595
65 HA GLU 11 HA GLU 11 -6.614 -10.158 -3.309
66 HB2 GLU 11 HB2 GLU 11 -4.182 -10.752 -3.631
67 HB3 GLU 11 HB1 GLU 11 -4.443 -12.077 -2.520
68 HG2 GLU 11 HG2 GLU 11 -5.990 -13.111 -4.032
69 HG3 GLU 11 HG1 GLU 11 -5.911 -11.713 -5.108
70 H THR 12 H THR 12 -6.074 -10.957 -0.045
71 HA THR 12 HA THR 12 -7.670 -13.353 -0.089
72 HB THR 12 HB THR 12 -6.519 -11.851 2.271
73 HG1 THR 12 HG1 THR 12 -5.434 -13.804 0.507
74 HG21 THR 12 HG21 THR 12 -8.246 -13.549 2.791
75 HG22 THR 12 HG22 THR 12 -6.656 -14.021 3.386
76 HG23 THR 12 HG23 THR 12 -7.301 -14.756 1.916
77 H SER 13 H SER 13 -7.859 -10.038 1.077
78 HA SER 13 HA SER 13 -10.575 -10.399 2.062
79 HB2 SER 13 HB2 SER 13 -8.988 -7.877 1.935
80 HB3 SER 13 HB1 SER 13 -10.289 -8.287 3.056
81 HG SER 13 HG SER 13 -7.688 -9.371 2.900
82 H GLY 14 H GLY 14 -8.946 -9.211 -0.756
83 HA2 GLY 14 HA2 GLY 14 -9.753 -8.365 -2.711
84 HA3 GLY 14 HA1 GLY 14 -11.399 -8.552 -2.088
85 H ALA 15 H ALA 15 -8.785 -6.903 -0.529
86 HA ALA 15 HA ALA 15 -10.303 -4.398 -0.773
87 HB1 ALA 15 HB1 ALA 15 -9.938 -3.886 1.561
88 HB2 ALA 15 HB2 ALA 15 -9.055 -5.396 1.775
89 HB3 ALA 15 HB3 ALA 15 -10.778 -5.428 1.393
90 H LYS 16 H LYS 16 -9.068 -3.067 -1.880
91 HA LYS 16 HA LYS 16 -6.225 -3.004 -1.679
92 HB2 LYS 16 HB2 LYS 16 -8.248 -1.427 -3.219
93 HB3 LYS 16 HB1 LYS 16 -6.606 -0.833 -3.077
94 HG2 LYS 16 HG2 LYS 16 -5.766 -2.854 -4.117
95 HG3 LYS 16 HG1 LYS 16 -7.396 -3.509 -4.222
96 HD2 LYS 16 HD2 LYS 16 -6.527 -0.930 -5.530
97 HD3 LYS 16 HD1 LYS 16 -6.465 -2.487 -6.344
98 HE2 LYS 16 HE2 LYS 16 -8.965 -1.217 -5.212
99 HE3 LYS 16 HE1 LYS 16 -8.480 -1.161 -6.900
100 HZ1 LYS 16 HZ1 LYS 16 -10.124 -2.898 -6.434
101 HZ2 LYS 16 HZ2 LYS 16 -9.043 -3.684 -5.415
102 HZ3 LYS 16 HZ3 LYS 16 -8.700 -3.532 -7.053
103 H THR 17 H THR 17 -5.167 -2.060 -0.188
104 HA THR 17 HA THR 17 -6.349 0.168 1.266
105 HB THR 17 HB THR 17 -5.266 -1.589 2.654
106 HG1 THR 17 HG1 THR 17 -4.100 -0.292 3.924
107 HG21 THR 17 HG21 THR 17 -2.822 -1.924 2.605
108 HG22 THR 17 HG22 THR 17 -2.710 -0.845 1.215
109 HG23 THR 17 HG23 THR 17 -3.566 -2.378 1.071
110 H CYS 18 H CYS 18 -5.269 2.192 1.235
111 HA CYS 18 HA CYS 18 -3.423 2.438 -1.026
112 HB2 CYS 18 HB2 CYS 18 -5.665 4.321 -0.439
113 HB3 CYS 18 HB1 CYS 18 -4.577 4.417 -1.787
114 H VAL 19 H VAL 19 -2.274 4.350 -1.038
115 HA VAL 19 HA VAL 19 -2.000 5.626 1.549
116 HB VAL 19 HB VAL 19 -0.187 3.997 1.410
117 HG11 VAL 19 HG11 VAL 19 0.015 3.704 -0.971
118 HG12 VAL 19 HG12 VAL 19 1.585 4.124 -0.284
119 HG13 VAL 19 3HG1 VAL 19 0.648 5.341 -1.149
120 HG21 VAL 19 HG21 VAL 19 0.824 6.805 1.026
121 HG22 VAL 19 HG22 VAL 19 1.752 5.472 1.711
122 HG23 VAL 19 HG23 VAL 19 0.317 6.069 2.545
123 HA PRO 20 HA PRO 20 -1.799 7.425 2.484
124 HB2 PRO 20 HB2 PRO 20 -3.461 9.510 2.789
125 HB3 PRO 20 HB1 PRO 20 -1.717 9.724 2.554
126 HG2 PRO 20 HG2 PRO 20 -3.945 9.937 0.576
127 HG3 PRO 20 HG1 PRO 20 -2.578 11.026 0.802
128 HD2 PRO 20 HD2 PRO 20 -2.590 9.158 -1.151
129 HD3 PRO 20 HD1 PRO 20 -1.104 9.634 -0.313
130 H ASP 21 H ASP 21 -3.661 7.184 3.885
131 HA ASP 21 HA ASP 21 -5.523 5.327 2.915
132 HB2 ASP 21 HB2 ASP 21 -4.903 5.364 5.271
133 HB3 ASP 21 HB1 ASP 21 -5.594 6.978 5.435
134 H ASN 22 H ASN 22 -7.442 5.518 2.000
135 HA ASN 22 HA ASN 22 -9.200 6.299 1.038
136 HB2 ASN 22 HB2 ASN 22 -9.080 8.173 3.360
137 HB3 ASN 22 HB1 ASN 22 -10.220 8.420 2.037
138 HD21 ASN 22 HD21 ASN 22 -9.336 6.254 4.703
139 HD22 ASN 22 HD22 ASN 22 -10.830 5.406 4.672
140 H CYS 23 H CYS 23 -6.523 7.209 0.047
141 HA CYS 23 HA CYS 23 -6.978 9.795 -1.002
142 HB2 CYS 23 HB2 CYS 23 -5.145 9.270 -2.610
143 HB3 CYS 23 HB1 CYS 23 -4.707 8.941 -0.941
144 H ASP 24 H ASP 24 -8.003 6.703 -1.887
145 HA ASP 24 HA ASP 24 -9.185 7.764 -4.331
146 HB2 ASP 24 HB2 ASP 24 -7.886 5.627 -4.614
147 HB3 ASP 24 HB1 ASP 24 -9.043 4.840 -3.540
148 H ALA 25 H ALA 25 -10.603 8.901 -3.180
149 HA ALA 25 HA ALA 25 -12.994 7.349 -2.572
150 HB1 ALA 25 HB1 ALA 25 -11.991 7.860 -0.383
151 HB2 ALA 25 HB2 ALA 25 -13.520 8.711 -0.601
152 HB3 ALA 25 HB3 ALA 25 -11.996 9.577 -0.783
153 H SER 26 H SER 26 -13.959 7.936 -4.387
154 HA SER 26 HA SER 26 -14.068 10.722 -5.146
155 HB2 SER 26 HB2 SER 26 -13.662 8.996 -6.867
156 HB3 SER 26 HB1 SER 26 -15.211 8.258 -6.474
157 HG SER 26 HG SER 26 -15.646 9.517 -8.155
158 H ARG 27 H ARG 27 -15.719 11.981 -4.665
159 HA ARG 27 HA ARG 27 -18.071 10.824 -3.384
160 HB2 ARG 27 HB2 ARG 27 -18.668 13.097 -2.758
161 HB3 ARG 27 HB1 ARG 27 -16.988 12.816 -2.341
162 HG2 ARG 27 HG2 ARG 27 -16.263 14.061 -4.288
163 HG3 ARG 27 HG1 ARG 27 -17.938 14.283 -4.796
164 HD2 ARG 27 HD2 ARG 27 -17.187 16.292 -3.723
165 HD3 ARG 27 HD1 ARG 27 -18.351 15.496 -2.674
166 HE ARG 27 HE ARG 27 -15.837 14.611 -1.916
167 HH11 ARG 27 HH11 ARG 27 -17.602 17.700 -1.966
168 HH12 ARG 27 HH12 ARG 27 -16.796 18.336 -0.628
169 HH21 ARG 27 HH21 ARG 27 -14.727 15.514 -0.055
170 HH22 ARG 27 HH22 ARG 27 -15.110 17.075 0.478
171 H GLY 28 H GLY 28 -16.982 11.966 -6.360
172 HA2 GLY 28 HA2 GLY 28 -18.694 11.169 -8.106
173 HA3 GLY 28 HA1 GLY 28 -19.682 12.427 -7.369
174 H THR 29 H THR 29 -18.278 12.018 -10.046
175 HA THR 29 HA THR 29 -16.507 14.290 -10.196
176 HB THR 29 HB THR 29 -17.715 12.681 -12.479
177 HG1 THR 29 HG1 THR 29 -16.491 11.436 -10.868
178 HG21 THR 29 HG21 THR 29 -15.182 14.336 -12.299
179 HG22 THR 29 HG22 THR 29 -16.660 14.821 -13.127
180 HG23 THR 29 HG23 THR 29 -15.730 13.443 -13.718
181 H ASN 30 H ASN 30 -17.139 16.314 -10.706
182 HA ASN 30 HA ASN 30 -19.892 16.758 -11.614
183 HB2 ASN 30 HB2 ASN 30 -20.128 18.572 -9.948
184 HB3 ASN 30 HB1 ASN 30 -19.826 17.031 -9.153
185 HD21 ASN 30 HD21 ASN 30 -18.625 20.205 -9.769
186 HD22 ASN 30 HD22 ASN 30 -17.252 20.122 -8.746
187 HA PRO 31 HA PRO 31 -17.810 19.806 -14.144
188 HB2 PRO 31 HB2 PRO 31 -19.967 21.755 -13.912
189 HB3 PRO 31 HB1 PRO 31 -19.544 20.757 -15.301
190 HG2 PRO 31 HG2 PRO 31 -21.829 20.396 -13.875
191 HG3 PRO 31 HG1 PRO 31 -20.988 19.075 -14.702
192 HD2 PRO 31 HD2 PRO 31 -20.931 19.839 -11.808
193 HD3 PRO 31 HD1 PRO 31 -21.038 18.225 -12.546
Start of MODEL 6
1 H1 ASP 1 HT1 ASP 1 1.899 14.748 6.751
2 H2 ASP 1 HT2 ASP 1 2.511 14.053 8.165
3 H3 ASP 1 HT3 ASP 1 1.674 13.111 7.023
4 HA ASP 1 HA ASP 1 4.252 14.445 6.506
5 HB2 ASP 1 HB2 ASP 1 5.195 12.198 6.460
6 HB3 ASP 1 HB1 ASP 1 4.381 12.413 8.007
7 H VAL 2 H VAL 2 5.121 13.264 4.428
8 HA VAL 2 HA VAL 2 2.926 13.362 2.507
9 HB VAL 2 HB VAL 2 5.923 13.462 2.011
10 HG11 VAL 2 HG11 VAL 2 3.616 13.944 0.125
11 HG12 VAL 2 HG12 VAL 2 4.708 12.561 0.103
12 HG13 VAL 2 3HG1 VAL 2 5.322 14.174 -0.265
13 HG21 VAL 2 HG21 VAL 2 3.891 15.696 1.987
14 HG22 VAL 2 HG22 VAL 2 5.585 15.849 1.519
15 HG23 VAL 2 HG23 VAL 2 5.160 15.459 3.187
16 H SER 3 H SER 3 2.075 11.388 2.311
17 HA SER 3 HA SER 3 3.865 9.084 2.221
18 HB2 SER 3 HB2 SER 3 0.862 9.214 2.497
19 HB3 SER 3 HB1 SER 3 1.854 7.759 2.616
20 HG SER 3 HG SER 3 2.811 9.595 4.330
21 HA PRO 4 HA PRO 4 3.050 8.964 -2.230
22 HB2 PRO 4 HB2 PRO 4 3.946 6.162 -2.051
23 HB3 PRO 4 HB1 PRO 4 4.626 7.492 -2.994
24 HG2 PRO 4 HG2 PRO 4 5.894 6.498 -0.835
25 HG3 PRO 4 HG1 PRO 4 5.963 8.219 -1.253
26 HD2 PRO 4 HD2 PRO 4 4.309 6.840 0.830
27 HD3 PRO 4 HD1 PRO 4 5.172 8.395 0.900
28 H CYS 5 H CYS 5 1.198 8.474 -3.155
29 HA CYS 5 HA CYS 5 -0.742 6.920 -1.713
30 HB2 CYS 5 HB2 CYS 5 -1.510 8.987 -2.653
31 HB3 CYS 5 HB1 CYS 5 -0.931 8.540 -4.249
32 H PHE 6 H PHE 6 -0.626 4.868 -1.861
33 HA PHE 6 HA PHE 6 -0.290 3.562 -4.486
34 HB2 PHE 6 HB2 PHE 6 0.188 2.618 -1.676
35 HB3 PHE 6 HB1 PHE 6 -0.044 1.488 -2.995
36 HD1 PHE 6 HD1 PHE 6 2.183 3.981 -1.516
37 HD2 PHE 6 HD2 PHE 6 1.613 1.165 -4.639
38 HE1 PHE 6 HE1 PHE 6 4.580 4.053 -2.007
39 HE2 PHE 6 HE2 PHE 6 3.972 1.211 -5.158
40 HZ PHE 6 HZ PHE 6 5.506 2.672 -3.843
41 H CYS 7 H CYS 7 -2.045 2.521 -5.286
42 HA CYS 7 HA CYS 7 -3.893 1.384 -3.344
43 HB2 CYS 7 HB2 CYS 7 -4.751 2.540 -5.967
44 HB3 CYS 7 HB1 CYS 7 -5.773 1.718 -4.834
45 H VAL 8 H VAL 8 -4.219 -0.579 -3.638
46 HA VAL 8 HA VAL 8 -3.374 -1.886 -6.066
47 HB VAL 8 HB VAL 8 -2.314 -3.512 -4.556
48 HG11 VAL 8 HG11 VAL 8 -1.065 -0.750 -4.612
49 HG12 VAL 8 HG12 VAL 8 -0.897 -1.989 -5.858
50 HG13 VAL 8 3HG1 VAL 8 -0.171 -2.230 -4.269
51 HG21 VAL 8 HG21 VAL 8 -2.522 -1.319 -2.511
52 HG22 VAL 8 HG22 VAL 8 -1.498 -2.740 -2.331
53 HG23 VAL 8 HG23 VAL 8 -3.250 -2.925 -2.433
54 H GLU 9 H GLU 9 -4.364 -3.986 -6.224
55 HA GLU 9 HA GLU 9 -6.788 -4.411 -4.722
56 HB2 GLU 9 HB2 GLU 9 -6.483 -5.074 -7.134
57 HB3 GLU 9 HB1 GLU 9 -5.249 -6.211 -6.621
58 HG2 GLU 9 HG2 GLU 9 -7.245 -7.429 -7.045
59 HG3 GLU 9 HG1 GLU 9 -6.977 -7.404 -5.307
60 H ASP 10 H ASP 10 -6.488 -5.027 -2.620
61 HA ASP 10 HA ASP 10 -4.038 -6.460 -1.988
62 HB2 ASP 10 HB2 ASP 10 -4.253 -4.481 -0.684
63 HB3 ASP 10 HB1 ASP 10 -5.911 -4.890 -0.246
64 H GLU 11 H GLU 11 -4.057 -8.434 -1.742
65 HA GLU 11 HA GLU 11 -6.346 -10.083 -1.675
66 HB2 GLU 11 HB2 GLU 11 -4.719 -11.905 -1.452
67 HB3 GLU 11 HB1 GLU 11 -4.259 -10.749 -2.694
68 HG2 GLU 11 HG2 GLU 11 -2.770 -9.675 -0.934
69 HG3 GLU 11 HG1 GLU 11 -3.062 -11.115 0.028
70 H THR 12 H THR 12 -4.524 -8.574 0.813
71 HA THR 12 HA THR 12 -5.070 -10.398 2.922
72 HB THR 12 HB THR 12 -4.490 -7.455 3.203
73 HG1 THR 12 HG1 THR 12 -2.841 -7.862 2.001
74 HG21 THR 12 HG21 THR 12 -3.221 -8.196 5.171
75 HG22 THR 12 HG22 THR 12 -3.604 -9.874 4.791
76 HG23 THR 12 HG23 THR 12 -4.889 -8.762 5.266
77 H SER 13 H SER 13 -6.432 -7.220 2.016
78 HA SER 13 HA SER 13 -8.622 -7.401 3.854
79 HB2 SER 13 HB2 SER 13 -8.276 -5.586 1.493
80 HB3 SER 13 HB1 SER 13 -9.293 -5.297 2.906
81 HG SER 13 HG SER 13 -6.482 -5.304 2.690
82 H GLY 14 H GLY 14 -7.994 -8.250 0.544
83 HA2 GLY 14 HA2 GLY 14 -9.236 -9.598 -0.855
84 HA3 GLY 14 HA1 GLY 14 -10.567 -9.538 0.303
85 H ALA 15 H ALA 15 -8.952 -6.663 -0.715
86 HA ALA 15 HA ALA 15 -10.788 -5.884 -2.733
87 HB1 ALA 15 HB1 ALA 15 -12.275 -5.633 -0.806
88 HB2 ALA 15 HB2 ALA 15 -11.839 -4.048 -1.452
89 HB3 ALA 15 HB3 ALA 15 -11.064 -4.648 0.013
90 H LYS 16 H LYS 16 -10.353 -3.603 -3.341
91 HA LYS 16 HA LYS 16 -7.622 -3.025 -3.516
92 HB2 LYS 16 HB2 LYS 16 -9.313 -2.283 -5.175
93 HB3 LYS 16 HB1 LYS 16 -9.977 -1.186 -3.975
94 HG2 LYS 16 HG2 LYS 16 -7.891 0.078 -3.950
95 HG3 LYS 16 HG1 LYS 16 -7.182 -1.044 -5.109
96 HD2 LYS 16 HD2 LYS 16 -7.901 0.911 -6.303
97 HD3 LYS 16 HD1 LYS 16 -8.980 -0.416 -6.720
98 HE2 LYS 16 HE2 LYS 16 -10.286 1.580 -6.381
99 HE3 LYS 16 HE1 LYS 16 -10.626 0.462 -5.068
100 HZ1 LYS 16 HZ1 LYS 16 -9.115 1.783 -3.638
101 HZ2 LYS 16 HZ2 LYS 16 -10.352 2.723 -4.292
102 HZ3 LYS 16 HZ3 LYS 16 -8.825 2.814 -4.956
103 H THR 17 H THR 17 -6.332 -2.043 -2.217
104 HA THR 17 HA THR 17 -7.417 -0.498 0.027
105 HB THR 17 HB THR 17 -5.019 -2.340 -0.049
106 HG1 THR 17 HG1 THR 17 -7.081 -3.400 -0.025
107 HG21 THR 17 HG21 THR 17 -4.925 -1.972 2.396
108 HG22 THR 17 HG22 THR 17 -6.239 -0.794 2.262
109 HG23 THR 17 HG23 THR 17 -4.680 -0.476 1.498
110 H CYS 18 H CYS 18 -6.317 1.431 0.452
111 HA CYS 18 HA CYS 18 -4.095 2.029 -1.336
112 HB2 CYS 18 HB2 CYS 18 -6.069 4.031 -0.264
113 HB3 CYS 18 HB1 CYS 18 -4.741 4.335 -1.338
114 H VAL 19 H VAL 19 -2.667 3.516 -0.568
115 HA VAL 19 HA VAL 19 -2.449 3.902 2.329
116 HB VAL 19 HB VAL 19 -0.136 3.045 0.532
117 HG11 VAL 19 HG11 VAL 19 0.575 4.552 2.291
118 HG12 VAL 19 HG12 VAL 19 1.181 2.924 2.597
119 HG13 VAL 19 3HG1 VAL 19 -0.201 3.535 3.504
120 HG21 VAL 19 HG21 VAL 19 -1.590 1.133 0.980
121 HG22 VAL 19 HG22 VAL 19 -1.506 1.462 2.711
122 HG23 VAL 19 HG23 VAL 19 -0.058 0.960 1.839
123 HA PRO 20 HA PRO 20 -2.392 5.546 3.544
124 HB2 PRO 20 HB2 PRO 20 -3.689 7.913 3.838
125 HB3 PRO 20 HB1 PRO 20 -1.956 7.732 4.144
126 HG2 PRO 20 HG2 PRO 20 -3.363 8.795 1.738
127 HG3 PRO 20 HG1 PRO 20 -1.922 9.421 2.546
128 HD2 PRO 20 HD2 PRO 20 -1.769 7.945 0.285
129 HD3 PRO 20 HD1 PRO 20 -0.523 7.883 1.543
130 H ASP 21 H ASP 21 -4.614 5.627 4.431
131 HA ASP 21 HA ASP 21 -6.397 4.127 2.955
132 HB2 ASP 21 HB2 ASP 21 -6.421 4.317 5.426
133 HB3 ASP 21 HB1 ASP 21 -7.014 5.968 5.231
134 H ASN 22 H ASN 22 -7.501 4.615 1.281
135 HA ASN 22 HA ASN 22 -8.476 5.653 -0.385
136 HB2 ASN 22 HB2 ASN 22 -9.835 6.818 1.981
137 HB3 ASN 22 HB1 ASN 22 -10.206 7.414 0.371
138 HD21 ASN 22 HD21 ASN 22 -11.255 6.028 -1.098
139 HD22 ASN 22 HD22 ASN 22 -12.006 4.567 -0.575
140 H CYS 23 H CYS 23 -5.927 6.709 -0.130
141 HA CYS 23 HA CYS 23 -5.998 9.498 -0.415
142 HB2 CYS 23 HB2 CYS 23 -3.855 9.224 -1.697
143 HB3 CYS 23 HB1 CYS 23 -3.855 8.405 -0.140
144 H ASP 24 H ASP 24 -6.797 6.980 -2.513
145 HA ASP 24 HA ASP 24 -7.471 8.916 -4.559
146 HB2 ASP 24 HB2 ASP 24 -6.158 7.035 -5.422
147 HB3 ASP 24 HB1 ASP 24 -7.351 5.899 -4.807
148 H ALA 25 H ALA 25 -9.124 9.653 -3.224
149 HA ALA 25 HA ALA 25 -11.589 8.068 -3.596
150 HB1 ALA 25 HB1 ALA 25 -10.950 9.738 -1.160
151 HB2 ALA 25 HB2 ALA 25 -11.034 7.972 -1.256
152 HB3 ALA 25 HB3 ALA 25 -12.488 8.936 -1.482
153 H SER 26 H SER 26 -10.034 10.659 -4.591
154 HA SER 26 HA SER 26 -12.360 12.387 -4.715
155 HB2 SER 26 HB2 SER 26 -9.542 12.804 -5.755
156 HB3 SER 26 HB1 SER 26 -10.804 14.032 -5.600
157 HG SER 26 HG SER 26 -10.507 12.760 -3.285
158 H ARG 27 H ARG 27 -13.722 11.657 -6.185
159 HA ARG 27 HA ARG 27 -14.643 11.068 -8.105
160 HB2 ARG 27 HB2 ARG 27 -13.315 12.693 -9.312
161 HB3 ARG 27 HB1 ARG 27 -11.924 11.624 -9.305
162 HG2 ARG 27 HG2 ARG 27 -13.194 10.049 -10.744
163 HG3 ARG 27 HG1 ARG 27 -14.496 11.239 -10.822
164 HD2 ARG 27 HD2 ARG 27 -13.019 11.357 -12.773
165 HD3 ARG 27 HD1 ARG 27 -13.002 12.850 -11.833
166 HE ARG 27 HE ARG 27 -10.930 11.408 -10.832
167 HH11 ARG 27 HH11 ARG 27 -11.777 12.473 -14.088
168 HH12 ARG 27 HH12 ARG 27 -10.163 12.676 -14.596
169 HH21 ARG 27 HH21 ARG 27 -8.731 11.657 -11.529
170 HH22 ARG 27 HH22 ARG 27 -8.386 12.182 -13.114
171 H GLY 28 H GLY 28 -15.183 9.100 -7.564
172 HA2 GLY 28 HA2 GLY 28 -13.420 6.974 -8.554
173 HA3 GLY 28 HA1 GLY 28 -14.175 6.833 -6.969
174 H THR 29 H THR 29 -15.242 4.942 -7.725
175 HA THR 29 HA THR 29 -17.210 5.295 -9.820
176 HB THR 29 HB THR 29 -15.966 3.125 -9.617
177 HG1 THR 29 HG1 THR 29 -18.205 3.301 -10.485
178 HG21 THR 29 HG21 THR 29 -15.812 2.938 -7.190
179 HG22 THR 29 HG22 THR 29 -16.618 1.515 -7.845
180 HG23 THR 29 HG23 THR 29 -17.563 2.785 -7.070
181 H ASN 30 H ASN 30 -16.972 5.529 -6.448
182 HA ASN 30 HA ASN 30 -19.870 5.736 -6.245
183 HB2 ASN 30 HB2 ASN 30 -19.076 3.972 -4.795
184 HB3 ASN 30 HB1 ASN 30 -17.909 5.029 -4.028
185 HD21 ASN 30 HD21 ASN 30 -18.582 6.350 -2.364
186 HD22 ASN 30 HD22 ASN 30 -20.185 6.327 -1.746
187 HA PRO 31 HA PRO 31 -18.372 9.812 -4.173
188 HB2 PRO 31 HB2 PRO 31 -15.526 10.094 -4.823
189 HB3 PRO 31 HB1 PRO 31 -16.316 10.244 -3.252
190 HG2 PRO 31 HG2 PRO 31 -14.692 8.182 -3.836
191 HG3 PRO 31 HG1 PRO 31 -16.107 7.994 -2.786
192 HD2 PRO 31 HD2 PRO 31 -15.810 7.321 -5.691
193 HD3 PRO 31 HD1 PRO 31 -16.536 6.362 -4.383
Start of MODEL 7
1 H1 ASP 1 HT1 ASP 1 0.088 16.398 4.235
2 H2 ASP 1 HT2 ASP 1 0.615 15.502 5.577
3 H3 ASP 1 HT3 ASP 1 -0.017 14.717 4.193
4 HA ASP 1 HA ASP 1 2.426 16.349 4.222
5 HB2 ASP 1 HB2 ASP 1 2.087 13.332 4.145
6 HB3 ASP 1 HB1 ASP 1 3.607 14.193 3.969
7 H VAL 2 H VAL 2 3.626 15.938 2.183
8 HA VAL 2 HA VAL 2 1.750 15.835 0.016
9 HB VAL 2 HB VAL 2 3.755 16.241 -1.501
10 HG11 VAL 2 HG11 VAL 2 3.370 18.180 0.774
11 HG12 VAL 2 HG12 VAL 2 2.405 18.094 -0.699
12 HG13 VAL 2 3HG1 VAL 2 4.103 18.563 -0.782
13 HG21 VAL 2 HG21 VAL 2 5.504 15.245 -0.072
14 HG22 VAL 2 HG22 VAL 2 5.257 16.527 1.117
15 HG23 VAL 2 HG23 VAL 2 5.885 16.917 -0.483
16 H SER 3 H SER 3 0.948 13.860 0.108
17 HA SER 3 HA SER 3 2.764 11.599 -0.330
18 HB2 SER 3 HB2 SER 3 0.054 11.647 0.986
19 HB3 SER 3 HB1 SER 3 1.155 10.277 0.910
20 HG SER 3 HG SER 3 2.653 11.548 2.102
21 HA PRO 4 HA PRO 4 0.232 11.285 -4.149
22 HB2 PRO 4 HB2 PRO 4 2.266 9.288 -4.875
23 HB3 PRO 4 HB1 PRO 4 1.841 10.776 -5.724
24 HG2 PRO 4 HG2 PRO 4 4.195 10.486 -4.446
25 HG3 PRO 4 HG1 PRO 4 3.354 12.043 -4.537
26 HD2 PRO 4 HD2 PRO 4 3.456 10.075 -2.280
27 HD3 PRO 4 HD1 PRO 4 3.586 11.849 -2.234
28 H CYS 5 H CYS 5 -1.120 9.515 -4.777
29 HA CYS 5 HA CYS 5 -1.251 7.545 -2.651
30 HB2 CYS 5 HB2 CYS 5 -3.322 8.793 -3.103
31 HB3 CYS 5 HB1 CYS 5 -3.349 8.130 -4.736
32 H PHE 6 H PHE 6 -0.604 5.633 -2.833
33 HA PHE 6 HA PHE 6 -0.755 4.306 -5.417
34 HB2 PHE 6 HB2 PHE 6 1.254 2.911 -4.670
35 HB3 PHE 6 HB1 PHE 6 1.593 4.571 -5.125
36 HD1 PHE 6 HD1 PHE 6 1.352 2.209 -2.317
37 HD2 PHE 6 HD2 PHE 6 2.458 6.126 -3.537
38 HE1 PHE 6 HE1 PHE 6 2.540 2.538 -0.185
39 HE2 PHE 6 HE2 PHE 6 3.643 6.458 -1.413
40 HZ PHE 6 HZ PHE 6 3.683 4.663 0.265
41 H CYS 7 H CYS 7 -1.404 2.134 -5.374
42 HA CYS 7 HA CYS 7 -2.736 1.402 -2.859
43 HB2 CYS 7 HB2 CYS 7 -3.880 1.310 -5.629
44 HB3 CYS 7 HB1 CYS 7 -4.654 0.693 -4.179
45 H VAL 8 H VAL 8 -3.248 -0.781 -2.632
46 HA VAL 8 HA VAL 8 -2.349 -2.626 -4.645
47 HB VAL 8 HB VAL 8 -0.506 -2.543 -3.241
48 HG11 VAL 8 HG11 VAL 8 -0.565 -3.181 -0.798
49 HG12 VAL 8 HG12 VAL 8 -2.325 -3.209 -0.905
50 HG13 VAL 8 3HG1 VAL 8 -1.454 -1.697 -1.144
51 HG21 VAL 8 HG21 VAL 8 -2.035 -5.085 -2.745
52 HG22 VAL 8 HG22 VAL 8 -0.299 -4.914 -2.473
53 HG23 VAL 8 HG23 VAL 8 -0.961 -4.725 -4.097
54 H GLU 9 H GLU 9 -3.519 -4.272 -4.770
55 HA GLU 9 HA GLU 9 -5.997 -4.266 -3.176
56 HB2 GLU 9 HB2 GLU 9 -6.203 -4.210 -5.666
57 HB3 GLU 9 HB1 GLU 9 -5.505 -5.826 -5.700
58 HG2 GLU 9 HG2 GLU 9 -7.344 -6.704 -4.427
59 HG3 GLU 9 HG1 GLU 9 -8.010 -5.090 -4.208
60 H ASP 10 H ASP 10 -5.873 -5.289 -1.456
61 HA ASP 10 HA ASP 10 -4.124 -7.509 -1.141
62 HB2 ASP 10 HB2 ASP 10 -4.456 -6.142 0.809
63 HB3 ASP 10 HB1 ASP 10 -6.203 -6.370 0.729
64 H GLU 11 H GLU 11 -4.457 -9.335 -1.794
65 HA GLU 11 HA GLU 11 -6.796 -10.389 -2.929
66 HB2 GLU 11 HB2 GLU 11 -4.382 -11.826 -1.850
67 HB3 GLU 11 HB1 GLU 11 -5.573 -12.493 -2.952
68 HG2 GLU 11 HG2 GLU 11 -4.897 -11.009 -4.692
69 HG3 GLU 11 HG1 GLU 11 -3.849 -10.116 -3.587
70 H THR 12 H THR 12 -5.507 -10.472 0.322
71 HA THR 12 HA THR 12 -6.911 -12.727 1.258
72 HB THR 12 HB THR 12 -6.042 -10.445 2.993
73 HG1 THR 12 HG1 THR 12 -4.216 -10.517 1.970
74 HG21 THR 12 HG21 THR 12 -5.284 -12.293 4.440
75 HG22 THR 12 HG22 THR 12 -5.766 -13.458 3.208
76 HG23 THR 12 HG23 THR 12 -6.988 -12.483 4.025
77 H SER 13 H SER 13 -7.410 -9.218 1.814
78 HA SER 13 HA SER 13 -9.990 -9.602 2.996
79 HB2 SER 13 HB2 SER 13 -8.705 -7.068 2.060
80 HB3 SER 13 HB1 SER 13 -9.970 -7.229 3.281
81 HG SER 13 HG SER 13 -7.248 -7.870 3.387
82 H GLY 14 H GLY 14 -8.788 -9.048 -0.189
83 HA2 GLY 14 HA2 GLY 14 -9.898 -8.915 -2.193
84 HA3 GLY 14 HA1 GLY 14 -11.417 -9.152 -1.319
85 H ALA 15 H ALA 15 -9.001 -6.765 -0.642
86 HA ALA 15 HA ALA 15 -10.738 -4.617 -1.584
87 HB1 ALA 15 HB1 ALA 15 -10.657 -3.479 0.564
88 HB2 ALA 15 HB2 ALA 15 -9.727 -4.812 1.245
89 HB3 ALA 15 HB3 ALA 15 -11.394 -5.074 0.740
90 H LYS 16 H LYS 16 -9.618 -2.875 -2.262
91 HA LYS 16 HA LYS 16 -6.728 -2.983 -2.235
92 HB2 LYS 16 HB2 LYS 16 -7.897 -2.590 -4.367
93 HB3 LYS 16 HB1 LYS 16 -8.668 -1.185 -3.653
94 HG2 LYS 16 HG2 LYS 16 -6.510 -0.115 -3.418
95 HG3 LYS 16 HG1 LYS 16 -5.737 -1.514 -4.133
96 HD2 LYS 16 HD2 LYS 16 -6.058 0.261 -5.825
97 HD3 LYS 16 HD1 LYS 16 -6.925 -1.211 -6.230
98 HE2 LYS 16 HE2 LYS 16 -8.311 0.709 -6.717
99 HE3 LYS 16 HE1 LYS 16 -9.016 -0.176 -5.383
100 HZ1 LYS 16 HZ1 LYS 16 -9.083 2.180 -5.012
101 HZ2 LYS 16 HZ2 LYS 16 -7.437 2.361 -5.140
102 HZ3 LYS 16 HZ3 LYS 16 -8.120 1.487 -3.846
103 H THR 17 H THR 17 -5.532 -2.103 -0.906
104 HA THR 17 HA THR 17 -6.600 0.004 0.805
105 HB THR 17 HB THR 17 -3.971 -1.466 1.068
106 HG1 THR 17 HG1 THR 17 -6.565 -2.340 1.499
107 HG21 THR 17 HG21 THR 17 -5.797 -0.137 3.084
108 HG22 THR 17 HG22 THR 17 -4.298 0.542 2.448
109 HG23 THR 17 HG23 THR 17 -4.254 -0.908 3.452
110 H CYS 18 H CYS 18 -5.389 2.005 0.906
111 HA CYS 18 HA CYS 18 -3.332 2.292 -1.136
112 HB2 CYS 18 HB2 CYS 18 -5.578 4.231 -0.714
113 HB3 CYS 18 HB1 CYS 18 -4.279 4.381 -1.855
114 H VAL 19 H VAL 19 -2.121 4.165 -0.873
115 HA VAL 19 HA VAL 19 -2.096 5.365 1.801
116 HB VAL 19 HB VAL 19 0.387 4.556 0.230
117 HG11 VAL 19 HG11 VAL 19 0.724 6.559 1.567
118 HG12 VAL 19 HG12 VAL 19 1.631 5.206 2.243
119 HG13 VAL 19 3HG1 VAL 19 0.125 5.723 3.000
120 HG21 VAL 19 HG21 VAL 19 0.816 2.919 2.007
121 HG22 VAL 19 HG22 VAL 19 -0.683 2.574 1.140
122 HG23 VAL 19 HG23 VAL 19 -0.740 3.317 2.739
123 HA PRO 20 HA PRO 20 -1.986 7.371 2.695
124 HB2 PRO 20 HB2 PRO 20 -3.829 9.340 2.561
125 HB3 PRO 20 HB1 PRO 20 -2.088 9.655 2.584
126 HG2 PRO 20 HG2 PRO 20 -3.956 9.462 0.248
127 HG3 PRO 20 HG1 PRO 20 -2.777 10.733 0.589
128 HD2 PRO 20 HD2 PRO 20 -2.199 8.803 -1.139
129 HD3 PRO 20 HD1 PRO 20 -0.962 9.363 0.007
130 H ASP 21 H ASP 21 -3.753 6.901 3.913
131 HA ASP 21 HA ASP 21 -5.394 4.835 3.120
132 HB2 ASP 21 HB2 ASP 21 -4.849 5.402 5.478
133 HB3 ASP 21 HB1 ASP 21 -5.951 6.773 5.343
134 H ASN 22 H ASN 22 -7.033 4.756 1.867
135 HA ASN 22 HA ASN 22 -8.724 5.251 0.542
136 HB2 ASN 22 HB2 ASN 22 -9.602 6.668 3.049
137 HB3 ASN 22 HB1 ASN 22 -10.593 6.513 1.602
138 HD21 ASN 22 HD21 ASN 22 -9.194 4.829 4.312
139 HD22 ASN 22 HD22 ASN 22 -10.130 3.403 4.102
140 H CYS 23 H CYS 23 -6.628 6.818 -0.221
141 HA CYS 23 HA CYS 23 -6.999 9.514 -0.398
142 HB2 CYS 23 HB2 CYS 23 -5.771 9.399 -2.566
143 HB3 CYS 23 HB1 CYS 23 -5.009 8.448 -1.294
144 H ASP 24 H ASP 24 -8.516 7.095 -2.306
145 HA ASP 24 HA ASP 24 -10.185 9.180 -3.494
146 HB2 ASP 24 HB2 ASP 24 -9.914 6.296 -4.382
147 HB3 ASP 24 HB1 ASP 24 -11.066 7.427 -5.071
148 H ALA 25 H ALA 25 -11.104 9.482 -1.558
149 HA ALA 25 HA ALA 25 -13.671 8.144 -1.342
150 HB1 ALA 25 HB1 ALA 25 -11.782 8.155 1.014
151 HB2 ALA 25 HB2 ALA 25 -12.265 6.727 0.096
152 HB3 ALA 25 HB3 ALA 25 -13.460 7.616 1.043
153 H SER 26 H SER 26 -12.342 10.807 -1.823
154 HA SER 26 HA SER 26 -12.880 12.384 0.503
155 HB2 SER 26 HB2 SER 26 -10.998 12.861 -1.037
156 HB3 SER 26 HB1 SER 26 -12.154 13.230 -2.310
157 HG SER 26 HG SER 26 -11.173 14.798 -0.472
158 H ARG 27 H ARG 27 -14.696 13.439 0.938
159 HA ARG 27 HA ARG 27 -16.688 13.744 -1.196
160 HB2 ARG 27 HB2 ARG 27 -17.189 13.164 1.732
161 HB3 ARG 27 HB1 ARG 27 -18.437 13.501 0.544
162 HG2 ARG 27 HG2 ARG 27 -17.877 11.484 -0.671
163 HG3 ARG 27 HG1 ARG 27 -16.538 11.170 0.435
164 HD2 ARG 27 HD2 ARG 27 -19.455 11.284 1.196
165 HD3 ARG 27 HD1 ARG 27 -18.524 9.808 0.956
166 HE ARG 27 HE ARG 27 -17.565 11.710 2.956
167 HH11 ARG 27 HH11 ARG 27 -19.135 8.563 2.306
168 HH12 ARG 27 HH12 ARG 27 -19.001 8.066 3.921
169 HH21 ARG 27 HH21 ARG 27 -17.393 10.952 5.119
170 HH22 ARG 27 HH22 ARG 27 -18.012 9.408 5.538
171 H GLY 28 H GLY 28 -16.142 15.846 -1.684
172 HA2 GLY 28 HA2 GLY 28 -17.336 17.916 -0.405
173 HA3 GLY 28 HA1 GLY 28 -15.748 17.807 0.353
174 H THR 29 H THR 29 -14.715 19.528 -0.482
175 HA THR 29 HA THR 29 -14.491 19.539 -3.392
176 HB THR 29 HB THR 29 -15.748 21.521 -2.654
177 HG1 THR 29 HG1 THR 29 -13.784 21.531 -4.260
178 HG21 THR 29 HG21 THR 29 -14.857 21.774 -0.393
179 HG22 THR 29 HG22 THR 29 -14.662 23.278 -1.296
180 HG23 THR 29 HG23 THR 29 -13.279 22.210 -1.048
181 H ASN 30 H ASN 30 -12.865 19.218 -0.446
182 HA ASN 30 HA ASN 30 -10.284 19.715 -1.727
183 HB2 ASN 30 HB2 ASN 30 -11.059 19.558 1.187
184 HB3 ASN 30 HB1 ASN 30 -9.393 19.485 0.644
185 HD21 ASN 30 HD21 ASN 30 -8.807 21.330 1.679
186 HD22 ASN 30 HD22 ASN 30 -9.332 22.904 1.204
187 HA PRO 31 HA PRO 31 -10.207 15.266 -2.247
188 HB2 PRO 31 HB2 PRO 31 -7.327 15.801 -2.722
189 HB3 PRO 31 HB1 PRO 31 -8.492 14.946 -3.734
190 HG2 PRO 31 HG2 PRO 31 -7.665 17.395 -4.377
191 HG3 PRO 31 HG1 PRO 31 -9.344 16.892 -4.641
192 HD2 PRO 31 HD2 PRO 31 -8.195 18.638 -2.507
193 HD3 PRO 31 HD1 PRO 31 -9.737 18.766 -3.378
Start of MODEL 8
1 H1 ASP 1 HT1 ASP 1 -2.415 20.368 -4.098
2 H2 ASP 1 HT2 ASP 1 -2.183 21.054 -2.574
3 H3 ASP 1 HT3 ASP 1 -2.872 19.519 -2.724
4 HA ASP 1 HA ASP 1 -0.121 20.210 -3.514
5 HB2 ASP 1 HB2 ASP 1 -0.436 20.175 -1.055
6 HB3 ASP 1 HB1 ASP 1 -1.167 18.580 -1.177
7 H VAL 2 H VAL 2 1.011 18.453 -4.452
8 HA VAL 2 HA VAL 2 -0.761 16.411 -5.514
9 HB VAL 2 HB VAL 2 2.141 16.934 -6.222
10 HG11 VAL 2 HG11 VAL 2 0.024 15.295 -7.607
11 HG12 VAL 2 HG12 VAL 2 1.414 14.669 -6.724
12 HG13 VAL 2 3HG1 VAL 2 1.654 15.582 -8.214
13 HG21 VAL 2 HG21 VAL 2 0.773 18.870 -6.782
14 HG22 VAL 2 HG22 VAL 2 -0.363 17.830 -7.639
15 HG23 VAL 2 HG23 VAL 2 1.282 18.025 -8.244
16 H SER 3 H SER 3 -1.030 14.942 -3.999
17 HA SER 3 HA SER 3 1.368 13.776 -2.790
18 HB2 SER 3 HB2 SER 3 -1.498 13.621 -1.851
19 HB3 SER 3 HB1 SER 3 -0.068 13.045 -0.994
20 HG SER 3 HG SER 3 0.264 15.652 -1.607
21 HA PRO 4 HA PRO 4 0.016 10.612 -5.834
22 HB2 PRO 4 HB2 PRO 4 2.653 9.492 -5.083
23 HB3 PRO 4 HB1 PRO 4 1.989 9.811 -6.684
24 HG2 PRO 4 HG2 PRO 4 3.891 11.382 -5.700
25 HG3 PRO 4 HG1 PRO 4 2.537 12.071 -6.613
26 HD2 PRO 4 HD2 PRO 4 2.948 11.976 -3.640
27 HD3 PRO 4 HD1 PRO 4 2.380 13.321 -4.655
28 H CYS 5 H CYS 5 -1.174 8.977 -5.270
29 HA CYS 5 HA CYS 5 -0.823 7.745 -2.645
30 HB2 CYS 5 HB2 CYS 5 -3.087 8.670 -3.500
31 HB3 CYS 5 HB1 CYS 5 -2.960 7.305 -4.630
32 H PHE 6 H PHE 6 -0.452 5.522 -2.527
33 HA PHE 6 HA PHE 6 -0.230 4.243 -5.135
34 HB2 PHE 6 HB2 PHE 6 1.973 4.517 -3.871
35 HB3 PHE 6 HB1 PHE 6 1.329 3.350 -2.707
36 HD1 PHE 6 HD1 PHE 6 1.900 3.849 -6.298
37 HD2 PHE 6 HD2 PHE 6 1.568 1.062 -3.116
38 HE1 PHE 6 HE1 PHE 6 2.484 2.099 -7.826
39 HE2 PHE 6 HE2 PHE 6 2.177 -0.758 -4.644
40 HZ PHE 6 HZ PHE 6 2.644 -0.265 -7.021
41 H CYS 7 H CYS 7 -1.519 2.564 -5.447
42 HA CYS 7 HA CYS 7 -2.967 1.577 -3.101
43 HB2 CYS 7 HB2 CYS 7 -3.893 1.808 -5.938
44 HB3 CYS 7 HB1 CYS 7 -4.817 1.117 -4.616
45 H VAL 8 H VAL 8 -3.490 -0.556 -2.993
46 HA VAL 8 HA VAL 8 -2.395 -2.415 -4.968
47 HB VAL 8 HB VAL 8 -2.059 -2.869 -2.001
48 HG11 VAL 8 HG11 VAL 8 -0.502 -4.651 -2.626
49 HG12 VAL 8 HG12 VAL 8 -0.824 -4.313 -4.324
50 HG13 VAL 8 3HG1 VAL 8 -2.122 -4.891 -3.280
51 HG21 VAL 8 HG21 VAL 8 0.369 -2.429 -2.216
52 HG22 VAL 8 HG22 VAL 8 -0.599 -0.990 -2.533
53 HG23 VAL 8 HG23 VAL 8 0.104 -1.891 -3.874
54 H GLU 9 H GLU 9 -3.662 -4.249 -5.029
55 HA GLU 9 HA GLU 9 -6.198 -4.143 -3.545
56 HB2 GLU 9 HB2 GLU 9 -6.235 -4.513 -6.028
57 HB3 GLU 9 HB1 GLU 9 -5.386 -6.027 -5.772
58 HG2 GLU 9 HG2 GLU 9 -7.268 -6.886 -4.511
59 HG3 GLU 9 HG1 GLU 9 -8.098 -5.338 -4.663
60 H ASP 10 H ASP 10 -6.072 -4.933 -1.619
61 HA ASP 10 HA ASP 10 -4.104 -6.878 -0.899
62 HB2 ASP 10 HB2 ASP 10 -4.883 -5.190 0.744
63 HB3 ASP 10 HB1 ASP 10 -6.474 -5.954 0.729
64 H GLU 11 H GLU 11 -4.177 -8.810 -1.201
65 HA GLU 11 HA GLU 11 -6.446 -10.098 -2.337
66 HB2 GLU 11 HB2 GLU 11 -3.791 -11.236 -1.499
67 HB3 GLU 11 HB1 GLU 11 -4.990 -12.061 -2.486
68 HG2 GLU 11 HG2 GLU 11 -4.787 -10.275 -4.165
69 HG3 GLU 11 HG1 GLU 11 -3.519 -9.535 -3.195
70 H THR 12 H THR 12 -5.359 -9.755 0.889
71 HA THR 12 HA THR 12 -6.532 -12.225 1.798
72 HB THR 12 HB THR 12 -5.539 -9.858 3.407
73 HG1 THR 12 HG1 THR 12 -3.959 -12.123 3.148
74 HG21 THR 12 HG21 THR 12 -5.217 -11.534 5.188
75 HG22 THR 12 HG22 THR 12 -5.866 -12.785 4.129
76 HG23 THR 12 HG23 THR 12 -6.906 -11.471 4.682
77 H SER 13 H SER 13 -7.203 -8.781 1.928
78 HA SER 13 HA SER 13 -9.730 -9.124 3.287
79 HB2 SER 13 HB2 SER 13 -8.657 -6.666 1.970
80 HB3 SER 13 HB1 SER 13 -9.775 -6.764 3.332
81 HG SER 13 HG SER 13 -7.034 -7.481 3.272
82 H GLY 14 H GLY 14 -8.537 -8.772 0.035
83 HA2 GLY 14 HA2 GLY 14 -9.614 -8.980 -1.981
84 HA3 GLY 14 HA1 GLY 14 -11.135 -9.197 -1.111
85 H ALA 15 H ALA 15 -8.955 -6.575 -0.562
86 HA ALA 15 HA ALA 15 -10.906 -4.744 -1.748
87 HB1 ALA 15 HB1 ALA 15 -11.458 -4.968 0.622
88 HB2 ALA 15 HB2 ALA 15 -10.889 -3.343 0.237
89 HB3 ALA 15 HB3 ALA 15 -9.817 -4.484 1.047
90 H LYS 16 H LYS 16 -9.993 -3.216 -2.859
91 HA LYS 16 HA LYS 16 -7.203 -2.761 -3.029
92 HB2 LYS 16 HB2 LYS 16 -8.844 -2.228 -4.849
93 HB3 LYS 16 HB1 LYS 16 -9.470 -0.942 -3.824
94 HG2 LYS 16 HG2 LYS 16 -7.189 0.050 -3.815
95 HG3 LYS 16 HG1 LYS 16 -6.729 -1.143 -5.014
96 HD2 LYS 16 HD2 LYS 16 -8.429 -0.339 -6.566
97 HD3 LYS 16 HD1 LYS 16 -8.977 0.847 -5.379
98 HE2 LYS 16 HE2 LYS 16 -6.776 1.916 -5.438
99 HE3 LYS 16 HE1 LYS 16 -6.237 0.729 -6.618
100 HZ1 LYS 16 HZ1 LYS 16 -6.838 2.801 -7.661
101 HZ2 LYS 16 HZ2 LYS 16 -8.388 2.728 -7.016
102 HZ3 LYS 16 HZ3 LYS 16 -7.890 1.586 -8.158
103 H THR 17 H THR 17 -5.982 -1.781 -1.683
104 HA THR 17 HA THR 17 -7.152 0.189 0.107
105 HB THR 17 HB THR 17 -6.555 -1.903 1.307
106 HG1 THR 17 HG1 THR 17 -6.055 -0.665 2.856
107 HG21 THR 17 HG21 THR 17 -4.776 -2.708 -0.162
108 HG22 THR 17 HG22 THR 17 -4.217 -2.606 1.506
109 HG23 THR 17 HG23 THR 17 -3.742 -1.369 0.341
110 H CYS 18 H CYS 18 -5.686 1.942 0.568
111 HA CYS 18 HA CYS 18 -3.532 2.152 -1.392
112 HB2 CYS 18 HB2 CYS 18 -5.531 4.306 -0.801
113 HB3 CYS 18 HB1 CYS 18 -4.179 4.425 -1.886
114 H VAL 19 H VAL 19 -2.119 3.871 -0.948
115 HA VAL 19 HA VAL 19 -1.932 4.603 1.891
116 HB VAL 19 HB VAL 19 0.405 4.044 0.018
117 HG11 VAL 19 HG11 VAL 19 0.384 4.688 2.966
118 HG12 VAL 19 HG12 VAL 19 0.925 5.752 1.668
119 HG13 VAL 19 3HG1 VAL 19 1.812 4.267 2.018
120 HG21 VAL 19 HG21 VAL 19 0.870 2.077 1.424
121 HG22 VAL 19 HG22 VAL 19 -0.706 1.959 0.639
122 HG23 VAL 19 HG23 VAL 19 -0.601 2.395 2.344
123 HA PRO 20 HA PRO 20 -2.101 6.272 3.072
124 HB2 PRO 20 HB2 PRO 20 -3.803 8.299 3.403
125 HB3 PRO 20 HB1 PRO 20 -2.046 8.509 3.496
126 HG2 PRO 20 HG2 PRO 20 -3.905 9.052 1.213
127 HG3 PRO 20 HG1 PRO 20 -2.630 10.092 1.849
128 HD2 PRO 20 HD2 PRO 20 -2.248 8.551 -0.337
129 HD3 PRO 20 HD1 PRO 20 -0.940 8.872 0.822
130 H ASP 21 H ASP 21 -4.055 5.716 4.065
131 HA ASP 21 HA ASP 21 -5.705 4.083 2.533
132 HB2 ASP 21 HB2 ASP 21 -5.394 3.706 4.921
133 HB3 ASP 21 HB1 ASP 21 -6.231 5.216 5.274
134 H ASN 22 H ASN 22 -7.443 4.389 1.392
135 HA ASN 22 HA ASN 22 -8.995 5.353 0.205
136 HB2 ASN 22 HB2 ASN 22 -9.759 6.225 2.972
137 HB3 ASN 22 HB1 ASN 22 -10.708 6.664 1.550
138 HD21 ASN 22 HD21 ASN 22 -9.666 4.016 3.585
139 HD22 ASN 22 HD22 ASN 22 -10.809 2.875 2.962
140 H CYS 23 H CYS 23 -6.619 6.713 -0.001
141 HA CYS 23 HA CYS 23 -6.733 9.454 0.121
142 HB2 CYS 23 HB2 CYS 23 -5.127 9.368 -1.787
143 HB3 CYS 23 HB1 CYS 23 -4.710 8.284 -0.457
144 H ASP 24 H ASP 24 -7.984 7.335 -2.255
145 HA ASP 24 HA ASP 24 -8.885 9.574 -3.874
146 HB2 ASP 24 HB2 ASP 24 -7.771 7.795 -5.107
147 HB3 ASP 24 HB1 ASP 24 -8.916 6.618 -4.485
148 H ALA 25 H ALA 25 -10.244 10.172 -2.281
149 HA ALA 25 HA ALA 25 -12.915 9.046 -2.659
150 HB1 ALA 25 HB1 ALA 25 -12.138 8.276 -0.459
151 HB2 ALA 25 HB2 ALA 25 -13.459 9.434 -0.291
152 HB3 ALA 25 HB3 ALA 25 -11.798 9.943 0.006
153 H SER 26 H SER 26 -13.458 10.656 -4.057
154 HA SER 26 HA SER 26 -13.839 13.273 -2.858
155 HB2 SER 26 HB2 SER 26 -11.739 13.347 -4.225
156 HB3 SER 26 HB1 SER 26 -12.670 12.838 -5.630
157 HG SER 26 HG SER 26 -12.267 15.142 -5.365
158 H ARG 27 H ARG 27 -15.397 14.525 -4.259
159 HA ARG 27 HA ARG 27 -17.616 12.760 -4.837
160 HB2 ARG 27 HB2 ARG 27 -17.436 15.758 -4.836
161 HB3 ARG 27 HB1 ARG 27 -18.929 14.837 -4.991
162 HG2 ARG 27 HG2 ARG 27 -18.576 13.921 -2.757
163 HG3 ARG 27 HG1 ARG 27 -17.078 14.835 -2.624
164 HD2 ARG 27 HD2 ARG 27 -19.846 15.996 -2.937
165 HD3 ARG 27 HD1 ARG 27 -18.882 15.946 -1.459
166 HE ARG 27 HE ARG 27 -17.732 17.308 -3.750
167 HH11 ARG 27 HH11 ARG 27 -19.418 17.614 -0.647
168 HH12 ARG 27 HH12 ARG 27 -19.004 19.242 -0.416
169 HH21 ARG 27 HH21 ARG 27 -17.201 19.590 -3.434
170 HH22 ARG 27 HH22 ARG 27 -17.739 20.392 -2.035
171 H GLY 28 H GLY 28 -15.203 14.399 -6.561
172 HA2 GLY 28 HA2 GLY 28 -16.226 13.389 -9.032
173 HA3 GLY 28 HA1 GLY 28 -16.256 15.147 -8.922
174 H THR 29 H THR 29 -14.639 13.486 -10.698
175 HA THR 29 HA THR 29 -11.977 13.718 -9.635
176 HB THR 29 HB THR 29 -12.722 13.146 -12.500
177 HG1 THR 29 HG1 THR 29 -13.223 11.669 -10.272
178 HG21 THR 29 HG21 THR 29 -10.368 12.329 -10.782
179 HG22 THR 29 HG22 THR 29 -10.351 13.582 -12.022
180 HG23 THR 29 HG23 THR 29 -10.599 11.896 -12.476
181 H ASN 30 H ASN 30 -11.748 15.881 -9.292
182 HA ASN 30 HA ASN 30 -11.784 17.525 -11.712
183 HB2 ASN 30 HB2 ASN 30 -12.100 18.367 -8.819
184 HB3 ASN 30 HB1 ASN 30 -11.845 19.500 -10.139
185 HD21 ASN 30 HD21 ASN 30 -13.502 19.839 -11.633
186 HD22 ASN 30 HD22 ASN 30 -15.119 19.351 -11.332
187 HA PRO 31 HA PRO 31 -7.411 17.552 -11.203
188 HB2 PRO 31 HB2 PRO 31 -6.851 19.477 -13.071
189 HB3 PRO 31 HB1 PRO 31 -7.199 17.799 -13.486
190 HG2 PRO 31 HG2 PRO 31 -8.965 20.189 -13.623
191 HG3 PRO 31 HG1 PRO 31 -8.883 18.793 -14.709
192 HD2 PRO 31 HD2 PRO 31 -10.806 19.143 -12.789
193 HD3 PRO 31 HD1 PRO 31 -10.305 17.561 -13.414
Start of MODEL 9
1 H1 ASP 1 HT1 ASP 1 4.112 17.119 5.326
2 H2 ASP 1 HT2 ASP 1 4.449 17.499 3.733
3 H3 ASP 1 HT3 ASP 1 5.696 17.535 4.869
4 HA ASP 1 HA ASP 1 5.839 15.592 3.492
5 HB2 ASP 1 HB2 ASP 1 4.950 15.042 6.336
6 HB3 ASP 1 HB1 ASP 1 5.622 13.806 5.284
7 H VAL 2 H VAL 2 4.812 14.053 2.300
8 HA VAL 2 HA VAL 2 2.149 13.271 3.050
9 HB VAL 2 HB VAL 2 1.777 15.268 1.602
10 HG11 VAL 2 HG11 VAL 2 3.722 15.158 0.181
11 HG12 VAL 2 HG12 VAL 2 2.250 15.211 -0.787
12 HG13 VAL 2 3HG1 VAL 2 3.110 13.687 -0.574
13 HG21 VAL 2 HG21 VAL 2 0.059 13.563 1.640
14 HG22 VAL 2 HG22 VAL 2 0.887 12.664 0.370
15 HG23 VAL 2 HG23 VAL 2 0.183 14.241 0.016
16 H SER 3 H SER 3 1.703 11.235 2.499
17 HA SER 3 HA SER 3 3.833 9.661 1.376
18 HB2 SER 3 HB2 SER 3 1.107 8.841 2.429
19 HB3 SER 3 HB1 SER 3 2.492 7.786 2.143
20 HG SER 3 HG SER 3 3.432 9.593 3.656
21 HA PRO 4 HA PRO 4 2.035 9.822 -2.741
22 HB2 PRO 4 HB2 PRO 4 3.032 7.046 -3.010
23 HB3 PRO 4 HB1 PRO 4 3.364 8.459 -4.018
24 HG2 PRO 4 HG2 PRO 4 5.186 7.493 -2.365
25 HG3 PRO 4 HG1 PRO 4 5.007 9.241 -2.611
26 HD2 PRO 4 HD2 PRO 4 4.128 7.545 -0.311
27 HD3 PRO 4 HD1 PRO 4 4.800 9.192 -0.323
28 H CYS 5 H CYS 5 0.162 9.179 -3.640
29 HA CYS 5 HA CYS 5 -1.431 7.317 -2.101
30 HB2 CYS 5 HB2 CYS 5 -2.357 9.543 -2.552
31 HB3 CYS 5 HB1 CYS 5 -2.177 9.272 -4.277
32 H PHE 6 H PHE 6 -1.064 5.298 -2.754
33 HA PHE 6 HA PHE 6 -1.556 4.746 -5.566
34 HB2 PHE 6 HB2 PHE 6 0.167 2.930 -5.528
35 HB3 PHE 6 HB1 PHE 6 0.852 4.536 -5.370
36 HD1 PHE 6 HD1 PHE 6 0.189 1.359 -3.657
37 HD2 PHE 6 HD2 PHE 6 1.975 5.204 -3.347
38 HE1 PHE 6 HE1 PHE 6 1.420 0.620 -1.660
39 HE2 PHE 6 HE2 PHE 6 3.208 4.474 -1.350
40 HZ PHE 6 HZ PHE 6 2.931 2.179 -0.502
41 H CYS 7 H CYS 7 -2.624 2.808 -5.973
42 HA CYS 7 HA CYS 7 -3.744 1.630 -3.559
43 HB2 CYS 7 HB2 CYS 7 -5.060 1.831 -6.262
44 HB3 CYS 7 HB1 CYS 7 -5.790 1.224 -4.784
45 H VAL 8 H VAL 8 -4.078 -0.581 -3.501
46 HA VAL 8 HA VAL 8 -2.608 -2.169 -5.479
47 HB VAL 8 HB VAL 8 -2.281 -2.514 -2.488
48 HG11 VAL 8 HG11 VAL 8 -0.360 -3.917 -3.040
49 HG12 VAL 8 HG12 VAL 8 -0.692 -3.673 -4.753
50 HG13 VAL 8 3HG1 VAL 8 -1.865 -4.514 -3.740
51 HG21 VAL 8 HG21 VAL 8 -0.312 -1.121 -4.306
52 HG22 VAL 8 HG22 VAL 8 -0.020 -1.553 -2.621
53 HG23 VAL 8 HG23 VAL 8 -1.262 -0.368 -3.026
54 H GLU 9 H GLU 9 -3.401 -4.368 -5.417
55 HA GLU 9 HA GLU 9 -6.030 -4.614 -4.298
56 HB2 GLU 9 HB2 GLU 9 -5.438 -5.669 -6.473
57 HB3 GLU 9 HB1 GLU 9 -4.290 -6.700 -5.629
58 HG2 GLU 9 HG2 GLU 9 -6.101 -7.709 -4.361
59 HG3 GLU 9 HG1 GLU 9 -7.263 -6.657 -5.167
60 H ASP 10 H ASP 10 -6.168 -4.878 -2.177
61 HA ASP 10 HA ASP 10 -3.972 -6.095 -0.798
62 HB2 ASP 10 HB2 ASP 10 -4.811 -4.151 0.292
63 HB3 ASP 10 HB1 ASP 10 -6.469 -4.748 0.208
64 H GLU 11 H GLU 11 -3.863 -8.062 -0.506
65 HA GLU 11 HA GLU 11 -5.944 -9.896 -1.070
66 HB2 GLU 11 HB2 GLU 11 -4.268 -11.589 -0.349
67 HB3 GLU 11 HB1 GLU 11 -3.709 -10.447 -1.567
68 HG2 GLU 11 HG2 GLU 11 -2.473 -9.208 0.077
69 HG3 GLU 11 HG1 GLU 11 -3.096 -10.240 1.364
70 H THR 12 H THR 12 -4.972 -8.273 1.755
71 HA THR 12 HA THR 12 -5.911 -10.145 3.682
72 HB THR 12 HB THR 12 -5.805 -7.162 4.112
73 HG1 THR 12 HG1 THR 12 -3.901 -7.354 3.267
74 HG21 THR 12 HG21 THR 12 -5.024 -9.529 5.837
75 HG22 THR 12 HG22 THR 12 -6.530 -8.624 5.973
76 HG23 THR 12 HG23 THR 12 -4.994 -7.835 6.331
77 H SER 13 H SER 13 -7.258 -7.167 2.272
78 HA SER 13 HA SER 13 -9.858 -7.603 3.404
79 HB2 SER 13 HB2 SER 13 -9.003 -5.683 1.270
80 HB3 SER 13 HB1 SER 13 -10.448 -5.558 2.279
81 HG SER 13 HG SER 13 -7.727 -5.305 3.012
82 H GLY 14 H GLY 14 -8.264 -8.232 0.333
83 HA2 GLY 14 HA2 GLY 14 -8.970 -9.867 -1.184
84 HA3 GLY 14 HA1 GLY 14 -10.596 -9.761 -0.519
85 H ALA 15 H ALA 15 -9.038 -6.786 -1.135
86 HA ALA 15 HA ALA 15 -10.001 -6.416 -3.808
87 HB1 ALA 15 HB1 ALA 15 -11.422 -4.983 -1.551
88 HB2 ALA 15 HB2 ALA 15 -12.129 -6.221 -2.590
89 HB3 ALA 15 HB3 ALA 15 -11.647 -4.666 -3.270
90 H LYS 16 H LYS 16 -9.779 -3.961 -4.348
91 HA LYS 16 HA LYS 16 -7.164 -3.227 -3.588
92 HB2 LYS 16 HB2 LYS 16 -9.182 -1.954 -5.377
93 HB3 LYS 16 HB1 LYS 16 -7.762 -1.046 -4.879
94 HG2 LYS 16 HG2 LYS 16 -6.321 -2.766 -5.813
95 HG3 LYS 16 HG1 LYS 16 -7.715 -3.702 -6.318
96 HD2 LYS 16 HD2 LYS 16 -7.061 -0.894 -7.252
97 HD3 LYS 16 HD1 LYS 16 -6.680 -2.356 -8.152
98 HE2 LYS 16 HE2 LYS 16 -9.466 -1.448 -7.390
99 HE3 LYS 16 HE1 LYS 16 -8.720 -1.234 -8.969
100 HZ1 LYS 16 HZ1 LYS 16 -10.186 -3.162 -8.897
101 HZ2 LYS 16 HZ2 LYS 16 -9.260 -3.869 -7.697
102 HZ3 LYS 16 HZ3 LYS 16 -8.613 -3.631 -9.222
103 H THR 17 H THR 17 -6.373 -1.917 -2.321
104 HA THR 17 HA THR 17 -8.042 -0.080 -0.810
105 HB THR 17 HB THR 17 -5.864 -1.887 0.334
106 HG1 THR 17 HG1 THR 17 -8.233 -2.576 -0.277
107 HG21 THR 17 HG21 THR 17 -7.822 -0.026 1.702
108 HG22 THR 17 HG22 THR 17 -6.100 0.287 1.488
109 HG23 THR 17 HG23 THR 17 -6.634 -1.049 2.514
110 H CYS 18 H CYS 18 -6.706 1.800 -0.183
111 HA CYS 18 HA CYS 18 -4.340 1.910 -1.866
112 HB2 CYS 18 HB2 CYS 18 -5.959 4.248 -0.908
113 HB3 CYS 18 HB1 CYS 18 -4.703 4.240 -2.121
114 H VAL 19 H VAL 19 -2.678 3.247 -1.124
115 HA VAL 19 HA VAL 19 -2.431 3.283 1.793
116 HB VAL 19 HB VAL 19 -0.288 2.442 -0.198
117 HG11 VAL 19 HG11 VAL 19 0.652 3.622 1.696
118 HG12 VAL 19 HG12 VAL 19 1.070 1.909 1.761
119 HG13 VAL 19 3HG1 VAL 19 -0.197 2.549 2.808
120 HG21 VAL 19 HG21 VAL 19 -1.949 0.676 0.084
121 HG22 VAL 19 HG22 VAL 19 -1.769 0.766 1.835
122 HG23 VAL 19 HG23 VAL 19 -0.423 0.216 0.839
123 HA PRO 20 HA PRO 20 -1.976 4.611 3.344
124 HB2 PRO 20 HB2 PRO 20 -3.022 6.964 4.171
125 HB3 PRO 20 HB1 PRO 20 -1.283 6.622 4.251
126 HG2 PRO 20 HG2 PRO 20 -2.844 8.154 2.217
127 HG3 PRO 20 HG1 PRO 20 -1.316 8.586 2.978
128 HD2 PRO 20 HD2 PRO 20 -1.374 7.530 0.509
129 HD3 PRO 20 HD1 PRO 20 -0.085 7.132 1.659
130 H ASP 21 H ASP 21 -4.101 4.735 4.466
131 HA ASP 21 HA ASP 21 -6.178 3.765 2.871
132 HB2 ASP 21 HB2 ASP 21 -5.948 3.320 5.308
133 HB3 ASP 21 HB1 ASP 21 -6.342 5.010 5.597
134 H ASN 22 H ASN 22 -7.516 4.751 1.577
135 HA ASN 22 HA ASN 22 -8.592 6.263 0.403
136 HB2 ASN 22 HB2 ASN 22 -9.234 7.241 3.181
137 HB3 ASN 22 HB1 ASN 22 -9.920 7.935 1.713
138 HD21 ASN 22 HD21 ASN 22 -9.834 5.086 3.756
139 HD22 ASN 22 HD22 ASN 22 -11.216 4.342 3.064
140 H CYS 23 H CYS 23 -5.896 6.762 0.436
141 HA CYS 23 HA CYS 23 -5.058 9.301 1.016
142 HB2 CYS 23 HB2 CYS 23 -3.310 8.905 -0.713
143 HB3 CYS 23 HB1 CYS 23 -3.506 7.597 0.451
144 H ASP 24 H ASP 24 -7.069 8.397 -1.568
145 HA ASP 24 HA ASP 24 -6.765 11.096 -2.605
146 HB2 ASP 24 HB2 ASP 24 -7.968 10.414 -4.721
147 HB3 ASP 24 HB1 ASP 24 -6.422 9.630 -4.486
148 H ALA 25 H ALA 25 -7.723 11.902 -0.962
149 HA ALA 25 HA ALA 25 -10.497 12.478 -1.398
150 HB1 ALA 25 HB1 ALA 25 -10.703 10.484 0.032
151 HB2 ALA 25 HB2 ALA 25 -11.212 11.928 0.908
152 HB3 ALA 25 HB3 ALA 25 -9.630 11.219 1.222
153 H SER 26 H SER 26 -10.213 14.607 -1.478
154 HA SER 26 HA SER 26 -8.285 15.916 0.169
155 HB2 SER 26 HB2 SER 26 -10.389 17.102 -1.666
156 HB3 SER 26 HB1 SER 26 -9.027 17.977 -0.964
157 HG SER 26 HG SER 26 -8.636 15.658 -2.518
158 H ARG 27 H ARG 27 -8.674 16.348 2.248
159 HA ARG 27 HA ARG 27 -11.343 16.188 3.207
160 HB2 ARG 27 HB2 ARG 27 -10.417 16.494 5.485
161 HB3 ARG 27 HB1 ARG 27 -9.676 15.178 4.598
162 HG2 ARG 27 HG2 ARG 27 -7.709 16.581 4.172
163 HG3 ARG 27 HG1 ARG 27 -8.482 17.901 5.049
164 HD2 ARG 27 HD2 ARG 27 -8.514 16.580 7.084
165 HD3 ARG 27 HD1 ARG 27 -7.828 15.200 6.227
166 HE ARG 27 HE ARG 27 -6.109 17.328 5.864
167 HH11 ARG 27 HH11 ARG 27 -7.273 15.447 8.632
168 HH12 ARG 27 HH12 ARG 27 -5.819 15.591 9.507
169 HH21 ARG 27 HH21 ARG 27 -4.098 17.515 7.076
170 HH22 ARG 27 HH22 ARG 27 -3.976 16.787 8.596
171 H GLY 28 H GLY 28 -12.644 17.702 2.752
172 HA2 GLY 28 HA2 GLY 28 -11.921 20.483 2.979
173 HA3 GLY 28 HA1 GLY 28 -13.514 19.839 2.561
174 H THR 29 H THR 29 -13.786 18.072 4.691
175 HA THR 29 HA THR 29 -14.226 19.923 6.892
176 HB THR 29 HB THR 29 -15.239 17.089 6.505
177 HG1 THR 29 HG1 THR 29 -15.867 19.172 5.080
178 HG21 THR 29 HG21 THR 29 -16.210 19.349 8.278
179 HG22 THR 29 HG22 THR 29 -15.312 17.935 8.826
180 HG23 THR 29 HG23 THR 29 -16.935 17.745 8.164
181 H ASN 30 H ASN 30 -12.724 19.816 8.504
182 HA ASN 30 HA ASN 30 -11.245 17.311 8.840
183 HB2 ASN 30 HB2 ASN 30 -9.826 18.912 7.594
184 HB3 ASN 30 HB1 ASN 30 -10.038 20.092 8.879
185 HD21 ASN 30 HD21 ASN 30 -7.798 20.179 9.228
186 HD22 ASN 30 HD22 ASN 30 -6.951 18.902 10.017
187 HA PRO 31 HA PRO 31 -12.972 18.176 12.968
188 HB2 PRO 31 HB2 PRO 31 -11.816 15.464 13.357
189 HB3 PRO 31 HB1 PRO 31 -13.435 16.053 13.749
190 HG2 PRO 31 HG2 PRO 31 -13.061 14.438 11.676
191 HG3 PRO 31 HG1 PRO 31 -14.198 15.795 11.570
192 HD2 PRO 31 HD2 PRO 31 -11.421 15.564 10.475
193 HD3 PRO 31 HD1 PRO 31 -12.874 16.266 9.735
Start of MODEL 10
1 H1 ASP 1 HT1 ASP 1 2.298 16.552 4.367
2 H2 ASP 1 HT2 ASP 1 2.590 17.915 3.409
3 H3 ASP 1 HT3 ASP 1 3.776 17.373 4.467
4 HA ASP 1 HA ASP 1 4.291 16.807 2.213
5 HB2 ASP 1 HB2 ASP 1 5.126 15.296 3.908
6 HB3 ASP 1 HB1 ASP 1 3.574 14.470 3.995
7 H VAL 2 H VAL 2 3.539 16.403 0.229
8 HA VAL 2 HA VAL 2 0.782 15.600 -0.027
9 HB VAL 2 HB VAL 2 2.783 16.277 -2.224
10 HG11 VAL 2 HG11 VAL 2 0.934 14.922 -3.030
11 HG12 VAL 2 HG12 VAL 2 0.811 16.568 -3.655
12 HG13 VAL 2 3HG1 VAL 2 -0.224 16.050 -2.325
13 HG21 VAL 2 HG21 VAL 2 0.676 18.028 -0.953
14 HG22 VAL 2 HG22 VAL 2 1.646 18.456 -2.362
15 HG23 VAL 2 HG23 VAL 2 2.424 18.214 -0.799
16 H SER 3 H SER 3 0.917 13.544 0.708
17 HA SER 3 HA SER 3 2.834 11.659 -0.153
18 HB2 SER 3 HB2 SER 3 0.164 11.193 1.156
19 HB3 SER 3 HB1 SER 3 1.558 10.111 1.181
20 HG SER 3 HG SER 3 2.577 12.242 2.104
21 HA PRO 4 HA PRO 4 0.843 10.748 -4.125
22 HB2 PRO 4 HB2 PRO 4 2.670 8.419 -3.993
23 HB3 PRO 4 HB1 PRO 4 2.499 9.625 -5.269
24 HG2 PRO 4 HG2 PRO 4 4.615 9.622 -3.653
25 HG3 PRO 4 HG1 PRO 4 3.882 11.143 -4.194
26 HD2 PRO 4 HD2 PRO 4 3.660 9.757 -1.560
27 HD3 PRO 4 HD1 PRO 4 3.788 11.492 -1.927
28 H CYS 5 H CYS 5 -0.836 9.480 -4.567
29 HA CYS 5 HA CYS 5 -1.763 7.614 -2.586
30 HB2 CYS 5 HB2 CYS 5 -3.262 9.257 -3.788
31 HB3 CYS 5 HB1 CYS 5 -2.909 8.325 -5.250
32 H PHE 6 H PHE 6 -1.161 5.542 -2.694
33 HA PHE 6 HA PHE 6 -1.040 4.426 -5.369
34 HB2 PHE 6 HB2 PHE 6 1.272 4.699 -4.310
35 HB3 PHE 6 HB1 PHE 6 0.772 3.462 -3.154
36 HD1 PHE 6 HD1 PHE 6 1.022 1.200 -3.700
37 HD2 PHE 6 HD2 PHE 6 1.023 4.139 -6.765
38 HE1 PHE 6 HE1 PHE 6 1.550 -0.532 -5.361
39 HE2 PHE 6 HE2 PHE 6 1.544 2.458 -8.421
40 HZ PHE 6 HZ PHE 6 1.817 0.081 -7.736
41 H CYS 7 H CYS 7 -2.235 2.682 -5.624
42 HA CYS 7 HA CYS 7 -3.486 1.578 -3.230
43 HB2 CYS 7 HB2 CYS 7 -4.580 1.727 -6.020
44 HB3 CYS 7 HB1 CYS 7 -5.394 1.073 -4.618
45 H VAL 8 H VAL 8 -3.737 -0.575 -3.086
46 HA VAL 8 HA VAL 8 -2.528 -2.325 -5.108
47 HB VAL 8 HB VAL 8 -2.033 -2.703 -2.151
48 HG11 VAL 8 HG11 VAL 8 -0.694 -3.950 -4.526
49 HG12 VAL 8 HG12 VAL 8 -1.868 -4.707 -3.452
50 HG13 VAL 8 3HG1 VAL 8 -0.276 -4.255 -2.840
51 HG21 VAL 8 HG21 VAL 8 0.294 -1.924 -2.435
52 HG22 VAL 8 HG22 VAL 8 -0.874 -0.636 -2.737
53 HG23 VAL 8 HG23 VAL 8 -0.086 -1.446 -4.090
54 H GLU 9 H GLU 9 -3.536 -4.362 -5.064
55 HA GLU 9 HA GLU 9 -6.098 -4.361 -3.699
56 HB2 GLU 9 HB2 GLU 9 -5.941 -4.985 -6.117
57 HB3 GLU 9 HB1 GLU 9 -5.021 -6.406 -5.636
58 HG2 GLU 9 HG2 GLU 9 -6.885 -7.278 -4.423
59 HG3 GLU 9 HG1 GLU 9 -7.807 -5.803 -4.688
60 H ASP 10 H ASP 10 -6.063 -4.933 -1.698
61 HA ASP 10 HA ASP 10 -4.103 -6.596 -0.519
62 HB2 ASP 10 HB2 ASP 10 -5.128 -4.947 0.896
63 HB3 ASP 10 HB1 ASP 10 -6.736 -5.552 0.513
64 H GLU 11 H GLU 11 -3.937 -8.518 -0.518
65 HA GLU 11 HA GLU 11 -5.693 -10.362 -1.738
66 HB2 GLU 11 HB2 GLU 11 -3.230 -10.610 -1.627
67 HB3 GLU 11 HB1 GLU 11 -3.335 -10.832 0.102
68 HG2 GLU 11 HG2 GLU 11 -4.593 -12.723 -1.876
69 HG3 GLU 11 HG1 GLU 11 -2.944 -12.899 -1.306
70 H THR 12 H THR 12 -5.217 -9.345 1.565
71 HA THR 12 HA THR 12 -6.422 -11.532 2.864
72 HB THR 12 HB THR 12 -6.479 -8.731 3.929
73 HG1 THR 12 HG1 THR 12 -4.465 -8.687 3.337
74 HG21 THR 12 HG21 THR 12 -5.889 -9.889 6.025
75 HG22 THR 12 HG22 THR 12 -5.836 -11.425 5.162
76 HG23 THR 12 HG23 THR 12 -7.363 -10.558 5.328
77 H SER 13 H SER 13 -7.710 -8.313 2.009
78 HA SER 13 HA SER 13 -10.406 -9.100 2.748
79 HB2 SER 13 HB2 SER 13 -9.478 -6.549 1.510
80 HB3 SER 13 HB1 SER 13 -10.930 -6.815 2.478
81 HG SER 13 HG SER 13 -8.235 -6.752 3.255
82 H GLY 14 H GLY 14 -8.456 -8.967 -0.094
83 HA2 GLY 14 HA2 GLY 14 -8.950 -9.383 -2.287
84 HA3 GLY 14 HA1 GLY 14 -10.592 -9.803 -1.782
85 H ALA 15 H ALA 15 -8.950 -6.816 -1.083
86 HA ALA 15 HA ALA 15 -10.661 -5.354 -2.937
87 HB1 ALA 15 HB1 ALA 15 -10.678 -4.854 0.036
88 HB2 ALA 15 HB2 ALA 15 -12.006 -5.537 -0.902
89 HB3 ALA 15 HB3 ALA 15 -11.497 -3.869 -1.175
90 H LYS 16 H LYS 16 -9.889 -3.326 -3.414
91 HA LYS 16 HA LYS 16 -7.084 -3.018 -3.031
92 HB2 LYS 16 HB2 LYS 16 -8.140 -2.639 -5.198
93 HB3 LYS 16 HB1 LYS 16 -9.068 -1.315 -4.508
94 HG2 LYS 16 HG2 LYS 16 -7.071 -0.059 -4.128
95 HG3 LYS 16 HG1 LYS 16 -6.073 -1.409 -4.644
96 HD2 LYS 16 HD2 LYS 16 -6.245 0.203 -6.460
97 HD3 LYS 16 HD1 LYS 16 -7.046 -1.299 -6.892
98 HE2 LYS 16 HE2 LYS 16 -9.226 -0.252 -6.300
99 HE3 LYS 16 HE1 LYS 16 -8.362 1.252 -5.976
100 HZ1 LYS 16 HZ1 LYS 16 -8.519 -0.148 -8.585
101 HZ2 LYS 16 HZ2 LYS 16 -7.592 1.211 -8.285
102 HZ3 LYS 16 HZ3 LYS 16 -9.272 1.312 -8.180
103 H THR 17 H THR 17 -6.112 -2.056 -1.583
104 HA THR 17 HA THR 17 -7.465 0.006 -0.005
105 HB THR 17 HB THR 17 -5.176 -1.830 0.773
106 HG1 THR 17 HG1 THR 17 -7.503 -2.605 0.461
107 HG21 THR 17 HG21 THR 17 -5.642 -1.027 3.068
108 HG22 THR 17 HG22 THR 17 -6.870 0.065 2.420
109 HG23 THR 17 HG23 THR 17 -5.177 0.298 2.000
110 H CYS 18 H CYS 18 -6.285 1.950 0.241
111 HA CYS 18 HA CYS 18 -3.931 2.105 -1.478
112 HB2 CYS 18 HB2 CYS 18 -5.811 4.335 -0.832
113 HB3 CYS 18 HB1 CYS 18 -4.525 4.319 -2.009
114 H VAL 19 H VAL 19 -2.440 3.685 -0.946
115 HA VAL 19 HA VAL 19 -2.338 4.494 1.831
116 HB VAL 19 HB VAL 19 -0.994 2.453 1.713
117 HG11 VAL 19 HG11 VAL 19 1.019 2.252 0.323
118 HG12 VAL 19 HG12 VAL 19 0.588 3.759 -0.486
119 HG13 VAL 19 3HG1 VAL 19 -0.464 2.352 -0.629
120 HG21 VAL 19 HG21 VAL 19 -0.181 4.163 3.202
121 HG22 VAL 19 HG22 VAL 19 0.743 4.906 1.897
122 HG23 VAL 19 HG23 VAL 19 1.187 3.305 2.493
123 HA PRO 20 HA PRO 20 -1.568 6.218 3.113
124 HB2 PRO 20 HB2 PRO 20 -2.990 8.550 3.309
125 HB3 PRO 20 HB1 PRO 20 -1.232 8.465 3.445
126 HG2 PRO 20 HG2 PRO 20 -2.932 9.199 1.118
127 HG3 PRO 20 HG1 PRO 20 -1.450 9.951 1.676
128 HD2 PRO 20 HD2 PRO 20 -1.420 8.277 -0.415
129 HD3 PRO 20 HD1 PRO 20 -0.086 8.298 0.756
130 H ASP 21 H ASP 21 -3.445 5.971 4.336
131 HA ASP 21 HA ASP 21 -5.425 4.408 3.256
132 HB2 ASP 21 HB2 ASP 21 -4.904 4.460 5.647
133 HB3 ASP 21 HB1 ASP 21 -5.567 6.093 5.727
134 H ASN 22 H ASN 22 -7.017 4.779 2.023
135 HA ASN 22 HA ASN 22 -8.601 5.656 0.824
136 HB2 ASN 22 HB2 ASN 22 -9.075 7.194 3.355
137 HB3 ASN 22 HB1 ASN 22 -10.062 7.368 1.903
138 HD21 ASN 22 HD21 ASN 22 -9.225 5.245 4.546
139 HD22 ASN 22 HD22 ASN 22 -10.469 4.103 4.230
140 H CYS 23 H CYS 23 -5.930 6.889 0.466
141 HA CYS 23 HA CYS 23 -6.301 9.570 -0.190
142 HB2 CYS 23 HB2 CYS 23 -4.441 9.225 -1.827
143 HB3 CYS 23 HB1 CYS 23 -4.084 8.608 -0.217
144 H ASP 24 H ASP 24 -7.108 6.724 -1.868
145 HA ASP 24 HA ASP 24 -8.379 8.321 -3.938
146 HB2 ASP 24 HB2 ASP 24 -7.040 6.499 -4.855
147 HB3 ASP 24 HB1 ASP 24 -7.925 5.327 -3.878
148 H ALA 25 H ALA 25 -9.788 9.046 -2.441
149 HA ALA 25 HA ALA 25 -12.287 7.589 -2.562
150 HB1 ALA 25 HB1 ALA 25 -11.127 8.514 0.079
151 HB2 ALA 25 HB2 ALA 25 -11.376 6.837 -0.405
152 HB3 ALA 25 HB3 ALA 25 -12.765 7.900 -0.159
153 H SER 26 H SER 26 -10.936 9.934 -3.660
154 HA SER 26 HA SER 26 -12.911 11.914 -3.217
155 HB2 SER 26 HB2 SER 26 -11.443 12.348 -1.291
156 HB3 SER 26 HB1 SER 26 -10.039 12.407 -2.354
157 HG SER 26 HG SER 26 -11.978 14.266 -1.828
158 H ARG 27 H ARG 27 -12.447 13.727 -4.704
159 HA ARG 27 HA ARG 27 -10.609 13.146 -6.866
160 HB2 ARG 27 HB2 ARG 27 -12.684 12.007 -7.485
161 HB3 ARG 27 HB1 ARG 27 -13.589 13.484 -7.209
162 HG2 ARG 27 HG2 ARG 27 -12.462 14.551 -9.062
163 HG3 ARG 27 HG1 ARG 27 -11.476 13.110 -9.320
164 HD2 ARG 27 HD2 ARG 27 -13.479 11.812 -9.740
165 HD3 ARG 27 HD1 ARG 27 -14.476 13.238 -9.476
166 HE ARG 27 HE ARG 27 -12.566 13.737 -11.480
167 HH11 ARG 27 HH11 ARG 27 -15.556 11.952 -10.927
168 HH12 ARG 27 HH12 ARG 27 -16.066 11.999 -12.548
169 HH21 ARG 27 HH21 ARG 27 -13.229 13.815 -13.674
170 HH22 ARG 27 HH22 ARG 27 -14.705 13.087 -14.173
171 H GLY 28 H GLY 28 -9.729 15.001 -7.555
172 HA2 GLY 28 HA2 GLY 28 -9.803 17.294 -8.152
173 HA3 GLY 28 HA1 GLY 28 -11.174 17.486 -7.064
174 H THR 29 H THR 29 -9.377 15.732 -5.197
175 HA THR 29 HA THR 29 -8.375 17.933 -3.698
176 HB THR 29 HB THR 29 -8.086 14.938 -3.340
177 HG1 THR 29 HG1 THR 29 -10.047 15.110 -2.506
178 HG21 THR 29 HG21 THR 29 -6.308 16.168 -2.134
179 HG22 THR 29 HG22 THR 29 -7.466 15.446 -1.017
180 HG23 THR 29 HG23 THR 29 -7.538 17.171 -1.366
181 H ASN 30 H ASN 30 -6.931 15.225 -5.415
182 HA ASN 30 HA ASN 30 -4.760 16.908 -6.224
183 HB2 ASN 30 HB2 ASN 30 -3.983 15.901 -4.033
184 HB3 ASN 30 HB1 ASN 30 -4.141 14.314 -4.776
185 HD21 ASN 30 HD21 ASN 30 -2.299 17.227 -4.635
186 HD22 ASN 30 HD22 ASN 30 -0.971 16.683 -5.594
187 HA PRO 31 HA PRO 31 -6.348 14.077 -9.407
188 HB2 PRO 31 HB2 PRO 31 -5.719 16.290 -11.213
189 HB3 PRO 31 HB1 PRO 31 -7.270 15.515 -10.918
190 HG2 PRO 31 HG2 PRO 31 -6.749 18.035 -10.091
191 HG3 PRO 31 HG1 PRO 31 -7.815 16.943 -9.192
192 HD2 PRO 31 HD2 PRO 31 -4.954 17.650 -8.663
193 HD3 PRO 31 HD1 PRO 31 -6.308 17.473 -7.525
Start of MODEL 11
1 H1 ASP 1 HT1 ASP 1 10.210 8.600 6.411
2 H2 ASP 1 HT2 ASP 1 10.788 9.170 4.930
3 H3 ASP 1 HT3 ASP 1 11.356 7.709 5.539
4 HA ASP 1 HA ASP 1 9.743 7.420 3.753
5 HB2 ASP 1 HB2 ASP 1 9.910 5.695 5.535
6 HB3 ASP 1 HB1 ASP 1 8.685 6.558 6.460
7 H VAL 2 H VAL 2 7.830 7.947 2.819
8 HA VAL 2 HA VAL 2 5.968 9.626 4.285
9 HB VAL 2 HB VAL 2 5.661 11.033 2.215
10 HG11 VAL 2 HG11 VAL 2 7.642 12.448 2.525
11 HG12 VAL 2 HG12 VAL 2 8.422 11.142 3.418
12 HG13 VAL 2 3HG1 VAL 2 6.973 11.908 4.067
13 HG21 VAL 2 HG21 VAL 2 8.209 9.684 1.315
14 HG22 VAL 2 HG22 VAL 2 7.449 11.065 0.525
15 HG23 VAL 2 HG23 VAL 2 6.618 9.508 0.573
16 H SER 3 H SER 3 3.856 9.700 3.002
17 HA SER 3 HA SER 3 3.545 7.151 1.613
18 HB2 SER 3 HB2 SER 3 1.606 8.467 3.513
19 HB3 SER 3 HB1 SER 3 1.317 6.968 2.624
20 HG SER 3 HG SER 3 3.440 6.373 3.663
21 HA PRO 4 HA PRO 4 1.790 10.072 -1.416
22 HB2 PRO 4 HB2 PRO 4 2.926 8.351 -3.429
23 HB3 PRO 4 HB1 PRO 4 3.408 10.003 -3.039
24 HG2 PRO 4 HG2 PRO 4 4.991 7.792 -2.608
25 HG3 PRO 4 HG1 PRO 4 5.132 9.309 -1.708
26 HD2 PRO 4 HD2 PRO 4 3.781 6.762 -0.927
27 HD3 PRO 4 HD1 PRO 4 4.768 7.873 0.053
28 H CYS 5 H CYS 5 -0.097 9.605 -2.592
29 HA CYS 5 HA CYS 5 -1.417 7.244 -1.829
30 HB2 CYS 5 HB2 CYS 5 -2.657 9.273 -2.151
31 HB3 CYS 5 HB1 CYS 5 -2.201 9.325 -3.850
32 H PHE 6 H PHE 6 -0.861 5.359 -2.543
33 HA PHE 6 HA PHE 6 -1.196 4.889 -5.393
34 HB2 PHE 6 HB2 PHE 6 0.582 3.142 -5.370
35 HB3 PHE 6 HB1 PHE 6 1.213 4.753 -5.075
36 HD1 PHE 6 HD1 PHE 6 2.297 5.285 -3.018
37 HD2 PHE 6 HD2 PHE 6 0.471 1.483 -3.551
38 HE1 PHE 6 HE1 PHE 6 3.442 4.460 -1.012
39 HE2 PHE 6 HE2 PHE 6 1.608 0.654 -1.540
40 HZ PHE 6 HZ PHE 6 3.094 2.147 -0.266
41 H CYS 7 H CYS 7 -2.054 2.780 -5.874
42 HA CYS 7 HA CYS 7 -3.317 1.603 -3.519
43 HB2 CYS 7 HB2 CYS 7 -4.562 2.011 -6.209
44 HB3 CYS 7 HB1 CYS 7 -5.304 1.200 -4.848
45 H VAL 8 H VAL 8 -3.627 -0.520 -3.486
46 HA VAL 8 HA VAL 8 -2.480 -2.161 -5.633
47 HB VAL 8 HB VAL 8 -1.978 -2.663 -2.683
48 HG11 VAL 8 HG11 VAL 8 -0.248 -4.213 -3.430
49 HG12 VAL 8 HG12 VAL 8 -0.678 -3.866 -5.104
50 HG13 VAL 8 3HG1 VAL 8 -1.850 -4.640 -4.035
51 HG21 VAL 8 HG21 VAL 8 0.356 -1.916 -2.987
52 HG22 VAL 8 HG22 VAL 8 -0.798 -0.604 -3.232
53 HG23 VAL 8 HG23 VAL 8 -0.044 -1.385 -4.622
54 H GLU 9 H GLU 9 -3.437 -4.269 -5.626
55 HA GLU 9 HA GLU 9 -6.084 -4.371 -4.402
56 HB2 GLU 9 HB2 GLU 9 -5.751 -4.954 -6.811
57 HB3 GLU 9 HB1 GLU 9 -4.713 -6.276 -6.311
58 HG2 GLU 9 HG2 GLU 9 -6.571 -7.363 -5.224
59 HG3 GLU 9 HG1 GLU 9 -7.622 -6.000 -5.612
60 H ASP 10 H ASP 10 -6.084 -5.061 -2.380
61 HA ASP 10 HA ASP 10 -3.964 -6.893 -1.506
62 HB2 ASP 10 HB2 ASP 10 -4.199 -4.688 -0.352
63 HB3 ASP 10 HB1 ASP 10 -5.820 -5.211 0.130
64 H GLU 11 H GLU 11 -4.442 -8.853 -1.215
65 HA GLU 11 HA GLU 11 -7.115 -9.819 -1.369
66 HB2 GLU 11 HB2 GLU 11 -4.511 -11.208 -0.866
67 HB3 GLU 11 HB1 GLU 11 -6.056 -12.048 -0.941
68 HG2 GLU 11 HG2 GLU 11 -4.788 -10.440 -3.129
69 HG3 GLU 11 HG1 GLU 11 -4.929 -12.199 -3.058
70 H THR 12 H THR 12 -5.119 -8.919 1.271
71 HA THR 12 HA THR 12 -6.435 -10.632 3.160
72 HB THR 12 HB THR 12 -4.738 -8.163 3.665
73 HG1 THR 12 HG1 THR 12 -4.145 -10.775 2.874
74 HG21 THR 12 HG21 THR 12 -5.956 -9.010 5.641
75 HG22 THR 12 HG22 THR 12 -4.220 -9.287 5.803
76 HG23 THR 12 HG23 THR 12 -5.290 -10.617 5.361
77 H SER 13 H SER 13 -6.645 -7.355 2.040
78 HA SER 13 HA SER 13 -8.843 -6.578 3.695
79 HB2 SER 13 HB2 SER 13 -7.096 -5.048 2.684
80 HB3 SER 13 HB1 SER 13 -7.854 -5.379 1.131
81 HG SER 13 HG SER 13 -8.561 -3.470 1.995
82 H GLY 14 H GLY 14 -8.360 -7.925 0.484
83 HA2 GLY 14 HA2 GLY 14 -9.872 -9.317 -0.631
84 HA3 GLY 14 HA1 GLY 14 -11.170 -8.683 0.374
85 H ALA 15 H ALA 15 -9.072 -6.327 -0.952
86 HA ALA 15 HA ALA 15 -10.398 -5.828 -3.392
87 HB1 ALA 15 HB1 ALA 15 -11.238 -4.133 -1.026
88 HB2 ALA 15 HB2 ALA 15 -12.283 -5.223 -1.938
89 HB3 ALA 15 HB3 ALA 15 -11.609 -3.787 -2.714
90 H LYS 16 H LYS 16 -9.894 -3.407 -3.977
91 HA LYS 16 HA LYS 16 -7.157 -2.920 -3.776
92 HB2 LYS 16 HB2 LYS 16 -8.683 -2.038 -5.540
93 HB3 LYS 16 HB1 LYS 16 -9.370 -0.945 -4.347
94 HG2 LYS 16 HG2 LYS 16 -7.150 0.077 -4.065
95 HG3 LYS 16 HG1 LYS 16 -6.527 -0.976 -5.330
96 HD2 LYS 16 HD2 LYS 16 -6.986 0.961 -6.516
97 HD3 LYS 16 HD1 LYS 16 -8.456 0.030 -6.764
98 HE2 LYS 16 HE2 LYS 16 -8.066 2.256 -4.749
99 HE3 LYS 16 HE1 LYS 16 -8.902 2.401 -6.282
100 HZ1 LYS 16 HZ1 LYS 16 -10.410 2.239 -4.500
101 HZ2 LYS 16 HZ2 LYS 16 -9.761 0.823 -3.918
102 HZ3 LYS 16 HZ3 LYS 16 -10.590 0.820 -5.408
103 H THR 17 H THR 17 -5.989 -1.909 -2.322
104 HA THR 17 HA THR 17 -7.277 -0.247 -0.324
105 HB THR 17 HB THR 17 -5.123 -2.318 0.256
106 HG1 THR 17 HG1 THR 17 -7.493 -2.871 -0.243
107 HG21 THR 17 HG21 THR 17 -5.124 -0.332 1.742
108 HG22 THR 17 HG22 THR 17 -5.606 -1.793 2.607
109 HG23 THR 17 HG23 THR 17 -6.824 -0.620 2.100
110 H CYS 18 H CYS 18 -6.021 1.554 0.126
111 HA CYS 18 HA CYS 18 -3.694 1.785 -1.632
112 HB2 CYS 18 HB2 CYS 18 -5.503 3.994 -0.694
113 HB3 CYS 18 HB1 CYS 18 -4.243 4.089 -1.911
114 H VAL 19 H VAL 19 -2.169 3.450 -0.939
115 HA VAL 19 HA VAL 19 -1.999 3.742 1.961
116 HB VAL 19 HB VAL 19 0.345 3.355 0.046
117 HG11 VAL 19 HG11 VAL 19 0.329 3.693 3.047
118 HG12 VAL 19 HG12 VAL 19 0.896 4.873 1.866
119 HG13 VAL 19 3HG1 VAL 19 1.750 3.342 2.062
120 HG21 VAL 19 HG21 VAL 19 -0.663 1.508 2.209
121 HG22 VAL 19 HG22 VAL 19 0.773 1.249 1.217
122 HG23 VAL 19 HG23 VAL 19 -0.828 1.243 0.474
123 HA PRO 20 HA PRO 20 -2.050 5.201 3.335
124 HB2 PRO 20 HB2 PRO 20 -3.607 7.286 4.011
125 HB3 PRO 20 HB1 PRO 20 -1.845 7.359 4.126
126 HG2 PRO 20 HG2 PRO 20 -3.652 8.367 1.970
127 HG3 PRO 20 HG1 PRO 20 -2.310 9.213 2.723
128 HD2 PRO 20 HD2 PRO 20 -2.041 8.005 0.334
129 HD3 PRO 20 HD1 PRO 20 -0.711 8.019 1.509
130 H ASP 21 H ASP 21 -4.103 4.718 4.268
131 HA ASP 21 HA ASP 21 -5.845 3.428 2.504
132 HB2 ASP 21 HB2 ASP 21 -5.540 2.641 4.768
133 HB3 ASP 21 HB1 ASP 21 -6.161 4.163 5.399
134 H ASN 22 H ASN 22 -7.609 4.023 1.489
135 HA ASN 22 HA ASN 22 -9.219 5.175 0.593
136 HB2 ASN 22 HB2 ASN 22 -9.400 6.415 3.337
137 HB3 ASN 22 HB1 ASN 22 -10.502 6.753 2.000
138 HD21 ASN 22 HD21 ASN 22 -10.678 4.149 0.925
139 HD22 ASN 22 HD22 ASN 22 -11.511 3.152 2.045
140 H CYS 23 H CYS 23 -6.416 6.237 0.400
141 HA CYS 23 HA CYS 23 -6.760 9.029 0.073
142 HB2 CYS 23 HB2 CYS 23 -4.630 9.001 -1.049
143 HB3 CYS 23 HB1 CYS 23 -4.540 7.914 0.338
144 H ASP 24 H ASP 24 -7.824 6.367 -1.683
145 HA ASP 24 HA ASP 24 -7.735 7.622 -4.246
146 HB2 ASP 24 HB2 ASP 24 -8.777 5.593 -5.150
147 HB3 ASP 24 HB1 ASP 24 -7.437 5.164 -4.110
148 H ALA 25 H ALA 25 -8.672 9.301 -3.656
149 HA ALA 25 HA ALA 25 -11.323 9.755 -4.505
150 HB1 ALA 25 HB1 ALA 25 -10.937 10.113 -1.523
151 HB2 ALA 25 HB2 ALA 25 -11.934 8.869 -2.271
152 HB3 ALA 25 HB3 ALA 25 -12.377 10.569 -2.436
153 H SER 26 H SER 26 -8.645 10.772 -2.686
154 HA SER 26 HA SER 26 -8.936 13.589 -3.402
155 HB2 SER 26 HB2 SER 26 -6.713 12.237 -1.865
156 HB3 SER 26 HB1 SER 26 -7.179 13.940 -1.814
157 HG SER 26 HG SER 26 -9.303 13.026 -1.080
158 H ARG 27 H ARG 27 -8.221 11.170 -5.161
159 HA ARG 27 HA ARG 27 -6.352 12.424 -6.860
160 HB2 ARG 27 HB2 ARG 27 -4.823 11.525 -5.122
161 HB3 ARG 27 HB1 ARG 27 -5.492 9.925 -5.385
162 HG2 ARG 27 HG2 ARG 27 -4.619 9.886 -7.622
163 HG3 ARG 27 HG1 ARG 27 -4.048 11.550 -7.445
164 HD2 ARG 27 HD2 ARG 27 -2.555 10.876 -5.666
165 HD3 ARG 27 HD1 ARG 27 -3.159 9.223 -5.761
166 HE ARG 27 HE ARG 27 -2.309 9.451 -8.184
167 HH11 ARG 27 HH11 ARG 27 -0.718 10.942 -5.406
168 HH12 ARG 27 HH12 ARG 27 0.860 10.646 -5.920
169 HH21 ARG 27 HH21 ARG 27 -0.128 8.981 -8.934
170 HH22 ARG 27 HH22 ARG 27 1.196 9.501 -8.006
171 H GLY 28 H GLY 28 -6.531 11.532 -8.881
172 HA2 GLY 28 HA2 GLY 28 -8.016 9.029 -9.158
173 HA3 GLY 28 HA1 GLY 28 -8.625 10.488 -9.933
174 H THR 29 H THR 29 -5.476 8.937 -9.563
175 HA THR 29 HA THR 29 -4.592 9.828 -12.140
176 HB THR 29 HB THR 29 -3.293 7.694 -10.438
177 HG1 THR 29 HG1 THR 29 -3.354 10.518 -10.168
178 HG21 THR 29 HG21 THR 29 -2.209 9.804 -12.319
179 HG22 THR 29 HG22 THR 29 -2.337 8.079 -12.670
180 HG23 THR 29 HG23 THR 29 -1.237 8.648 -11.413
181 H ASN 30 H ASN 30 -5.343 6.662 -10.697
182 HA ASN 30 HA ASN 30 -6.019 5.717 -13.354
183 HB2 ASN 30 HB2 ASN 30 -3.786 4.795 -12.942
184 HB3 ASN 30 HB1 ASN 30 -4.291 4.146 -11.393
185 HD21 ASN 30 HD21 ASN 30 -3.795 2.059 -11.915
186 HD22 ASN 30 HD22 ASN 30 -4.669 1.120 -13.066
187 HA PRO 31 HA PRO 31 -8.920 3.546 -10.302
188 HB2 PRO 31 HB2 PRO 31 -8.607 4.016 -7.614
189 HB3 PRO 31 HB1 PRO 31 -8.007 2.567 -8.427
190 HG2 PRO 31 HG2 PRO 31 -6.561 4.987 -7.534
191 HG3 PRO 31 HG1 PRO 31 -6.003 3.311 -7.610
192 HD2 PRO 31 HD2 PRO 31 -5.301 5.233 -9.440
193 HD3 PRO 31 HD1 PRO 31 -5.347 3.494 -9.772
Start of MODEL 12
1 H1 ASP 1 HT1 ASP 1 1.005 17.578 5.001
2 H2 ASP 1 HT2 ASP 1 0.189 16.235 4.373
3 H3 ASP 1 HT3 ASP 1 0.137 17.686 3.552
4 HA ASP 1 HA ASP 1 2.437 17.577 3.062
5 HB2 ASP 1 HB2 ASP 1 3.749 15.599 3.583
6 HB3 ASP 1 HB1 ASP 1 3.112 16.270 5.076
7 H VAL 2 H VAL 2 3.040 16.636 1.129
8 HA VAL 2 HA VAL 2 0.877 15.477 -0.342
9 HB VAL 2 HB VAL 2 3.716 16.105 -1.229
10 HG11 VAL 2 HG11 VAL 2 1.261 15.475 -2.862
11 HG12 VAL 2 HG12 VAL 2 2.676 14.441 -2.673
12 HG13 VAL 2 3HG1 VAL 2 2.816 15.987 -3.515
13 HG21 VAL 2 HG21 VAL 2 2.541 18.108 -0.534
14 HG22 VAL 2 HG22 VAL 2 1.168 17.687 -1.556
15 HG23 VAL 2 HG23 VAL 2 2.719 18.091 -2.289
16 H SER 3 H SER 3 0.541 13.485 0.267
17 HA SER 3 HA SER 3 2.773 11.646 0.536
18 HB2 SER 3 HB2 SER 3 1.049 11.826 2.354
19 HB3 SER 3 HB1 SER 3 -0.163 11.269 1.204
20 HG SER 3 HG SER 3 1.226 9.816 2.750
21 HA PRO 4 HA PRO 4 1.869 10.236 -3.662
22 HB2 PRO 4 HB2 PRO 4 3.184 7.761 -2.693
23 HB3 PRO 4 HB1 PRO 4 3.572 8.762 -4.097
24 HG2 PRO 4 HG2 PRO 4 5.113 8.766 -1.907
25 HG3 PRO 4 HG1 PRO 4 4.847 10.231 -2.864
26 HD2 PRO 4 HD2 PRO 4 3.674 9.446 -0.238
27 HD3 PRO 4 HD1 PRO 4 4.143 11.048 -0.847
28 H CYS 5 H CYS 5 0.048 9.237 -4.335
29 HA CYS 5 HA CYS 5 -1.347 7.557 -2.401
30 HB2 CYS 5 HB2 CYS 5 -2.556 9.489 -3.466
31 HB3 CYS 5 HB1 CYS 5 -2.279 8.668 -5.012
32 H PHE 6 H PHE 6 -0.960 5.440 -2.620
33 HA PHE 6 HA PHE 6 -0.981 4.424 -5.347
34 HB2 PHE 6 HB2 PHE 6 1.363 4.523 -4.271
35 HB3 PHE 6 HB1 PHE 6 0.790 3.221 -3.230
36 HD1 PHE 6 HD1 PHE 6 0.896 1.000 -3.975
37 HD2 PHE 6 HD2 PHE 6 1.148 4.196 -6.760
38 HE1 PHE 6 HE1 PHE 6 1.387 -0.606 -5.773
39 HE2 PHE 6 HE2 PHE 6 1.633 2.642 -8.549
40 HZ PHE 6 HZ PHE 6 1.763 0.202 -8.074
41 H CYS 7 H CYS 7 -2.174 2.607 -5.590
42 HA CYS 7 HA CYS 7 -3.415 1.541 -3.160
43 HB2 CYS 7 HB2 CYS 7 -4.714 1.842 -5.857
44 HB3 CYS 7 HB1 CYS 7 -5.480 1.283 -4.377
45 H VAL 8 H VAL 8 -3.856 -0.654 -3.150
46 HA VAL 8 HA VAL 8 -2.764 -2.268 -5.319
47 HB VAL 8 HB VAL 8 -2.107 -2.827 -2.409
48 HG11 VAL 8 HG11 VAL 8 -0.958 -3.991 -4.930
49 HG12 VAL 8 HG12 VAL 8 -2.077 -4.774 -3.817
50 HG13 VAL 8 3HG1 VAL 8 -0.438 -4.385 -3.292
51 HG21 VAL 8 HG21 VAL 8 -0.252 -1.534 -4.415
52 HG22 VAL 8 HG22 VAL 8 0.218 -2.104 -2.813
53 HG23 VAL 8 HG23 VAL 8 -0.925 -0.770 -2.975
54 H GLU 9 H GLU 9 -3.765 -4.331 -5.286
55 HA GLU 9 HA GLU 9 -6.283 -4.341 -3.863
56 HB2 GLU 9 HB2 GLU 9 -6.064 -4.972 -6.315
57 HB3 GLU 9 HB1 GLU 9 -5.216 -6.417 -5.784
58 HG2 GLU 9 HG2 GLU 9 -7.165 -7.183 -4.605
59 HG3 GLU 9 HG1 GLU 9 -8.013 -5.685 -4.970
60 H ASP 10 H ASP 10 -6.177 -4.963 -1.833
61 HA ASP 10 HA ASP 10 -4.034 -6.573 -0.848
62 HB2 ASP 10 HB2 ASP 10 -5.066 -4.740 0.495
63 HB3 ASP 10 HB1 ASP 10 -6.551 -5.687 0.577
64 H GLU 11 H GLU 11 -3.939 -8.513 -0.832
65 HA GLU 11 HA GLU 11 -5.899 -10.221 -1.994
66 HB2 GLU 11 HB2 GLU 11 -3.318 -10.881 -0.610
67 HB3 GLU 11 HB1 GLU 11 -4.244 -11.962 -1.641
68 HG2 GLU 11 HG2 GLU 11 -3.825 -10.627 -3.554
69 HG3 GLU 11 HG1 GLU 11 -3.119 -9.341 -2.576
70 H THR 12 H THR 12 -5.287 -9.268 1.221
71 HA THR 12 HA THR 12 -6.405 -11.715 2.322
72 HB THR 12 HB THR 12 -5.366 -9.258 3.748
73 HG1 THR 12 HG1 THR 12 -3.413 -10.069 3.475
74 HG21 THR 12 HG21 THR 12 -5.682 -12.134 4.636
75 HG22 THR 12 HG22 THR 12 -6.742 -10.807 5.106
76 HG23 THR 12 HG23 THR 12 -5.051 -10.811 5.617
77 H SER 13 H SER 13 -7.007 -8.267 2.141
78 HA SER 13 HA SER 13 -9.546 -8.353 3.451
79 HB2 SER 13 HB2 SER 13 -7.867 -6.409 3.327
80 HB3 SER 13 HB1 SER 13 -8.431 -6.218 1.671
81 HG SER 13 HG SER 13 -9.591 -5.579 4.047
82 H GLY 14 H GLY 14 -8.328 -8.560 0.177
83 HA2 GLY 14 HA2 GLY 14 -9.367 -9.344 -1.705
84 HA3 GLY 14 HA1 GLY 14 -10.876 -9.477 -0.801
85 H ALA 15 H ALA 15 -8.935 -6.622 -0.886
86 HA ALA 15 HA ALA 15 -10.679 -5.318 -2.796
87 HB1 ALA 15 HB1 ALA 15 -12.019 -5.228 -0.743
88 HB2 ALA 15 HB2 ALA 15 -11.502 -3.620 -1.251
89 HB3 ALA 15 HB3 ALA 15 -10.686 -4.428 0.088
90 H LYS 16 H LYS 16 -9.929 -3.336 -3.447
91 HA LYS 16 HA LYS 16 -7.143 -2.832 -3.127
92 HB2 LYS 16 HB2 LYS 16 -9.350 -1.461 -4.610
93 HB3 LYS 16 HB1 LYS 16 -7.800 -0.660 -4.400
94 HG2 LYS 16 HG2 LYS 16 -6.657 -2.337 -5.572
95 HG3 LYS 16 HG1 LYS 16 -8.038 -3.414 -5.572
96 HD2 LYS 16 HD2 LYS 16 -7.928 -0.733 -6.970
97 HD3 LYS 16 HD1 LYS 16 -7.596 -2.268 -7.768
98 HE2 LYS 16 HE2 LYS 16 -9.903 -3.006 -7.134
99 HE3 LYS 16 HE1 LYS 16 -10.206 -1.385 -6.512
100 HZ1 LYS 16 HZ1 LYS 16 -11.050 -1.684 -8.738
101 HZ2 LYS 16 HZ2 LYS 16 -9.520 -2.065 -9.318
102 HZ3 LYS 16 HZ3 LYS 16 -9.841 -0.514 -8.733
103 H THR 17 H THR 17 -6.164 -1.730 -1.770
104 HA THR 17 HA THR 17 -7.587 0.283 -0.253
105 HB THR 17 HB THR 17 -7.276 -1.762 1.149
106 HG1 THR 17 HG1 THR 17 -7.177 0.266 2.106
107 HG21 THR 17 HG21 THR 17 -5.272 -2.666 0.067
108 HG22 THR 17 HG22 THR 17 -5.015 -2.490 1.805
109 HG23 THR 17 HG23 THR 17 -4.321 -1.316 0.684
110 H CYS 18 H CYS 18 -6.139 2.018 0.368
111 HA CYS 18 HA CYS 18 -3.831 2.106 -1.436
112 HB2 CYS 18 HB2 CYS 18 -5.497 4.452 -0.578
113 HB3 CYS 18 HB1 CYS 18 -4.240 4.420 -1.793
114 H VAL 19 H VAL 19 -2.204 3.621 -0.816
115 HA VAL 19 HA VAL 19 -1.987 4.046 2.072
116 HB VAL 19 HB VAL 19 0.316 3.426 0.178
117 HG11 VAL 19 HG11 VAL 19 1.676 3.267 2.217
118 HG12 VAL 19 HG12 VAL 19 0.277 3.750 3.176
119 HG13 VAL 19 3HG1 VAL 19 0.975 4.873 2.007
120 HG21 VAL 19 HG21 VAL 19 -0.904 1.642 2.292
121 HG22 VAL 19 HG22 VAL 19 0.541 1.276 1.351
122 HG23 VAL 19 HG23 VAL 19 -1.023 1.412 0.548
123 HA PRO 20 HA PRO 20 -2.053 5.584 3.350
124 HB2 PRO 20 HB2 PRO 20 -3.502 7.798 3.856
125 HB3 PRO 20 HB1 PRO 20 -1.754 7.729 4.091
126 HG2 PRO 20 HG2 PRO 20 -3.332 8.893 1.839
127 HG3 PRO 20 HG1 PRO 20 -1.892 9.543 2.626
128 HD2 PRO 20 HD2 PRO 20 -1.802 8.236 0.233
129 HD3 PRO 20 HD1 PRO 20 -0.460 8.233 1.392
130 H ASP 21 H ASP 21 -4.165 5.219 4.226
131 HA ASP 21 HA ASP 21 -5.890 3.991 2.378
132 HB2 ASP 21 HB2 ASP 21 -5.776 3.191 4.670
133 HB3 ASP 21 HB1 ASP 21 -6.349 4.747 5.258
134 H ASN 22 H ASN 22 -7.568 4.657 1.282
135 HA ASN 22 HA ASN 22 -9.046 5.873 0.297
136 HB2 ASN 22 HB2 ASN 22 -9.301 7.270 2.958
137 HB3 ASN 22 HB1 ASN 22 -10.326 7.542 1.554
138 HD21 ASN 22 HD21 ASN 22 -11.061 6.558 4.190
139 HD22 ASN 22 HD22 ASN 22 -11.783 5.015 3.927
140 H CYS 23 H CYS 23 -6.121 6.852 0.307
141 HA CYS 23 HA CYS 23 -6.336 9.632 -0.162
142 HB2 CYS 23 HB2 CYS 23 -4.263 9.422 -1.531
143 HB3 CYS 23 HB1 CYS 23 -4.096 8.630 0.030
144 H ASP 24 H ASP 24 -6.630 6.924 -2.193
145 HA ASP 24 HA ASP 24 -8.005 8.509 -4.211
146 HB2 ASP 24 HB2 ASP 24 -6.232 7.103 -5.140
147 HB3 ASP 24 HB1 ASP 24 -6.914 5.684 -4.356
148 H ALA 25 H ALA 25 -9.692 8.744 -2.852
149 HA ALA 25 HA ALA 25 -11.331 6.352 -2.389
150 HB1 ALA 25 HB1 ALA 25 -10.871 7.774 -0.435
151 HB2 ALA 25 HB2 ALA 25 -12.588 7.637 -0.791
152 HB3 ALA 25 HB3 ALA 25 -11.712 9.106 -1.231
153 H SER 26 H SER 26 -11.508 9.534 -3.554
154 HA SER 26 HA SER 26 -13.461 8.757 -5.569
155 HB2 SER 26 HB2 SER 26 -14.750 9.559 -3.559
156 HB3 SER 26 HB1 SER 26 -13.928 11.110 -3.702
157 HG SER 26 HG SER 26 -15.550 11.556 -4.884
158 H ARG 27 H ARG 27 -10.806 9.232 -5.795
159 HA ARG 27 HA ARG 27 -10.235 11.935 -6.570
160 HB2 ARG 27 HB2 ARG 27 -8.468 10.505 -5.696
161 HB3 ARG 27 HB1 ARG 27 -8.738 9.342 -6.979
162 HG2 ARG 27 HG2 ARG 27 -7.947 10.948 -8.619
163 HG3 ARG 27 HG1 ARG 27 -7.707 12.143 -7.342
164 HD2 ARG 27 HD2 ARG 27 -5.612 11.030 -7.951
165 HD3 ARG 27 HD1 ARG 27 -6.062 10.703 -6.279
166 HE ARG 27 HE ARG 27 -7.083 8.567 -7.503
167 HH11 ARG 27 HH11 ARG 27 -3.865 10.056 -7.767
168 HH12 ARG 27 HH12 ARG 27 -3.088 8.584 -8.133
169 HH21 ARG 27 HH21 ARG 27 -6.001 6.591 -8.069
170 HH22 ARG 27 HH22 ARG 27 -4.315 6.596 -8.294
171 H GLY 28 H GLY 28 -11.310 9.062 -8.012
172 HA2 GLY 28 HA2 GLY 28 -11.900 10.476 -10.497
173 HA3 GLY 28 HA1 GLY 28 -11.114 8.893 -10.563
174 H THR 29 H THR 29 -12.366 7.164 -10.583
175 HA THR 29 HA THR 29 -15.005 7.472 -9.462
176 HB THR 29 HB THR 29 -15.342 7.485 -11.834
177 HG1 THR 29 HG1 THR 29 -16.965 6.327 -11.363
178 HG21 THR 29 HG21 THR 29 -13.255 6.526 -12.604
179 HG22 THR 29 HG22 THR 29 -14.605 5.636 -13.311
180 HG23 THR 29 HG23 THR 29 -13.708 4.955 -11.953
181 H ASN 30 H ASN 30 -15.383 6.191 -7.866
182 HA ASN 30 HA ASN 30 -14.386 3.540 -7.743
183 HB2 ASN 30 HB2 ASN 30 -12.374 4.428 -6.894
184 HB3 ASN 30 HB1 ASN 30 -13.177 5.623 -5.899
185 HD21 ASN 30 HD21 ASN 30 -13.725 5.086 -3.831
186 HD22 ASN 30 HD22 ASN 30 -13.381 3.569 -3.103
187 HA PRO 31 HA PRO 31 -17.758 3.894 -4.581
188 HB2 PRO 31 HB2 PRO 31 -18.330 6.153 -3.224
189 HB3 PRO 31 HB1 PRO 31 -16.946 5.139 -2.807
190 HG2 PRO 31 HG2 PRO 31 -16.978 7.806 -4.026
191 HG3 PRO 31 HG1 PRO 31 -15.636 6.944 -3.264
192 HD2 PRO 31 HD2 PRO 31 -16.278 7.186 -6.106
193 HD3 PRO 31 HD1 PRO 31 -14.817 6.549 -5.338
Start of MODEL 13
1 H1 ASP 1 HT1 ASP 1 -2.690 10.069 8.346
2 H2 ASP 1 HT2 ASP 1 -2.432 9.245 6.893
3 H3 ASP 1 HT3 ASP 1 -3.719 10.307 7.018
4 HA ASP 1 HA ASP 1 -2.175 12.172 7.238
5 HB2 ASP 1 HB2 ASP 1 0.187 11.807 6.853
6 HB3 ASP 1 HB1 ASP 1 -0.295 10.754 8.178
7 H VAL 2 H VAL 2 -0.949 12.949 5.183
8 HA VAL 2 HA VAL 2 -2.008 11.461 2.922
9 HB VAL 2 HB VAL 2 -3.169 13.620 3.091
10 HG11 VAL 2 HG11 VAL 2 -1.992 15.749 2.728
11 HG12 VAL 2 HG12 VAL 2 -0.453 14.897 2.890
12 HG13 VAL 2 3HG1 VAL 2 -1.579 14.965 4.247
13 HG21 VAL 2 HG21 VAL 2 -1.261 13.541 0.758
14 HG22 VAL 2 HG22 VAL 2 -2.758 14.473 0.823
15 HG23 VAL 2 HG23 VAL 2 -2.813 12.712 0.869
16 H SER 3 H SER 3 -0.626 10.667 1.570
17 HA SER 3 HA SER 3 1.975 11.786 1.125
18 HB2 SER 3 HB2 SER 3 1.503 9.016 2.317
19 HB3 SER 3 HB1 SER 3 3.045 9.538 1.640
20 HG SER 3 HG SER 3 1.866 10.183 4.087
21 HA PRO 4 HA PRO 4 1.265 10.260 -3.023
22 HB2 PRO 4 HB2 PRO 4 3.479 8.282 -2.720
23 HB3 PRO 4 HB1 PRO 4 3.143 9.418 -4.034
24 HG2 PRO 4 HG2 PRO 4 5.057 9.968 -2.270
25 HG3 PRO 4 HG1 PRO 4 3.973 11.248 -2.842
26 HD2 PRO 4 HD2 PRO 4 3.978 9.793 -0.234
27 HD3 PRO 4 HD1 PRO 4 3.594 11.492 -0.569
28 H CYS 5 H CYS 5 -0.382 9.060 -3.433
29 HA CYS 5 HA CYS 5 -0.972 6.774 -1.789
30 HB2 CYS 5 HB2 CYS 5 -2.704 8.465 -2.319
31 HB3 CYS 5 HB1 CYS 5 -2.555 7.961 -4.013
32 H PHE 6 H PHE 6 -0.899 4.745 -2.375
33 HA PHE 6 HA PHE 6 -0.838 4.159 -5.212
34 HB2 PHE 6 HB2 PHE 6 1.466 4.004 -3.983
35 HB3 PHE 6 HB1 PHE 6 0.791 2.533 -3.278
36 HD1 PHE 6 HD1 PHE 6 1.388 4.231 -6.482
37 HD2 PHE 6 HD2 PHE 6 0.891 0.526 -4.473
38 HE1 PHE 6 HE1 PHE 6 1.955 3.091 -8.528
39 HE2 PHE 6 HE2 PHE 6 1.467 -0.675 -6.535
40 HZ PHE 6 HZ PHE 6 2.007 0.595 -8.590
41 H CYS 7 H CYS 7 -2.165 2.458 -5.729
42 HA CYS 7 HA CYS 7 -3.473 1.089 -3.478
43 HB2 CYS 7 HB2 CYS 7 -4.747 1.731 -6.124
44 HB3 CYS 7 HB1 CYS 7 -5.527 1.098 -4.696
45 H VAL 8 H VAL 8 -3.765 -1.072 -3.710
46 HA VAL 8 HA VAL 8 -3.119 -2.441 -6.209
47 HB VAL 8 HB VAL 8 -1.875 -3.326 -3.579
48 HG11 VAL 8 HG11 VAL 8 -2.215 -5.123 -5.121
49 HG12 VAL 8 HG12 VAL 8 -0.488 -4.804 -4.952
50 HG13 VAL 8 3HG1 VAL 8 -1.350 -4.249 -6.386
51 HG21 VAL 8 HG21 VAL 8 -0.428 -1.888 -5.805
52 HG22 VAL 8 HG22 VAL 8 0.338 -2.615 -4.392
53 HG23 VAL 8 HG23 VAL 8 -0.755 -1.243 -4.197
54 H GLU 9 H GLU 9 -4.134 -4.549 -6.178
55 HA GLU 9 HA GLU 9 -6.354 -4.719 -4.367
56 HB2 GLU 9 HB2 GLU 9 -6.468 -5.488 -6.759
57 HB3 GLU 9 HB1 GLU 9 -5.400 -6.817 -6.322
58 HG2 GLU 9 HG2 GLU 9 -7.045 -7.633 -4.728
59 HG3 GLU 9 HG1 GLU 9 -8.113 -6.295 -5.134
60 H ASP 10 H ASP 10 -6.005 -5.232 -2.380
61 HA ASP 10 HA ASP 10 -3.792 -6.973 -1.608
62 HB2 ASP 10 HB2 ASP 10 -4.106 -4.726 -0.561
63 HB3 ASP 10 HB1 ASP 10 -5.677 -5.263 0.012
64 H GLU 11 H GLU 11 -4.204 -8.974 -1.195
65 HA GLU 11 HA GLU 11 -6.877 -9.972 -1.373
66 HB2 GLU 11 HB2 GLU 11 -4.896 -11.212 -2.255
67 HB3 GLU 11 HB1 GLU 11 -4.378 -11.495 -0.600
68 HG2 GLU 11 HG2 GLU 11 -6.399 -12.773 -0.168
69 HG3 GLU 11 HG1 GLU 11 -6.962 -12.446 -1.804
70 H THR 12 H THR 12 -4.843 -8.999 1.209
71 HA THR 12 HA THR 12 -6.075 -10.536 3.279
72 HB THR 12 HB THR 12 -4.496 -7.950 3.434
73 HG1 THR 12 HG1 THR 12 -3.586 -10.630 3.710
74 HG21 THR 12 HG21 THR 12 -5.685 -8.431 5.520
75 HG22 THR 12 HG22 THR 12 -3.954 -8.691 5.745
76 HG23 THR 12 HG23 THR 12 -5.038 -10.067 5.540
77 H SER 13 H SER 13 -6.422 -7.311 1.964
78 HA SER 13 HA SER 13 -8.639 -6.602 3.633
79 HB2 SER 13 HB2 SER 13 -7.034 -4.961 2.650
80 HB3 SER 13 HB1 SER 13 -7.671 -5.390 1.066
81 HG SER 13 HG SER 13 -8.499 -3.550 2.645
82 H GLY 14 H GLY 14 -8.173 -7.831 0.356
83 HA2 GLY 14 HA2 GLY 14 -9.663 -9.302 -0.700
84 HA3 GLY 14 HA1 GLY 14 -10.963 -8.704 0.327
85 H ALA 15 H ALA 15 -8.894 -6.353 -1.037
86 HA ALA 15 HA ALA 15 -10.185 -5.860 -3.498
87 HB1 ALA 15 HB1 ALA 15 -11.070 -4.137 -1.166
88 HB2 ALA 15 HB2 ALA 15 -12.096 -5.234 -2.088
89 HB3 ALA 15 HB3 ALA 15 -11.412 -3.806 -2.864
90 H LYS 16 H LYS 16 -9.680 -3.373 -4.048
91 HA LYS 16 HA LYS 16 -6.882 -3.075 -3.639
92 HB2 LYS 16 HB2 LYS 16 -8.903 -1.340 -5.030
93 HB3 LYS 16 HB1 LYS 16 -7.238 -0.819 -4.807
94 HG2 LYS 16 HG2 LYS 16 -6.480 -2.801 -6.034
95 HG3 LYS 16 HG1 LYS 16 -8.151 -3.278 -6.286
96 HD2 LYS 16 HD2 LYS 16 -6.927 -0.679 -7.248
97 HD3 LYS 16 HD1 LYS 16 -7.106 -2.118 -8.243
98 HE2 LYS 16 HE2 LYS 16 -9.379 -0.582 -6.965
99 HE3 LYS 16 HE1 LYS 16 -8.877 -0.449 -8.645
100 HZ1 LYS 16 HZ1 LYS 16 -9.986 -2.879 -7.333
101 HZ2 LYS 16 HZ2 LYS 16 -9.400 -2.852 -8.887
102 HZ3 LYS 16 HZ3 LYS 16 -10.748 -1.932 -8.495
103 H THR 17 H THR 17 -5.844 -2.218 -2.207
104 HA THR 17 HA THR 17 -7.170 -0.462 -0.290
105 HB THR 17 HB THR 17 -4.729 -2.224 0.016
106 HG1 THR 17 HG1 THR 17 -7.127 -2.952 -0.180
107 HG21 THR 17 HG21 THR 17 -4.973 -1.773 2.414
108 HG22 THR 17 HG22 THR 17 -6.371 -0.748 2.084
109 HG23 THR 17 HG23 THR 17 -4.767 -0.260 1.527
110 H CYS 18 H CYS 18 -6.198 1.522 0.026
111 HA CYS 18 HA CYS 18 -3.876 2.040 -1.648
112 HB2 CYS 18 HB2 CYS 18 -5.882 4.040 -0.680
113 HB3 CYS 18 HB1 CYS 18 -4.592 4.290 -1.814
114 H VAL 19 H VAL 19 -2.455 3.455 -0.823
115 HA VAL 19 HA VAL 19 -2.450 3.797 2.098
116 HB VAL 19 HB VAL 19 0.029 3.337 0.398
117 HG11 VAL 19 HG11 VAL 19 0.423 4.603 2.427
118 HG12 VAL 19 HG12 VAL 19 1.171 3.009 2.533
119 HG13 VAL 19 3HG1 VAL 19 -0.339 3.334 3.386
120 HG21 VAL 19 HG21 VAL 19 -1.277 1.273 0.409
121 HG22 VAL 19 HG22 VAL 19 -1.356 1.321 2.169
122 HG23 VAL 19 HG23 VAL 19 0.194 1.088 1.364
123 HA PRO 20 HA PRO 20 -2.410 5.340 3.482
124 HB2 PRO 20 HB2 PRO 20 -3.811 7.559 4.002
125 HB3 PRO 20 HB1 PRO 20 -2.048 7.508 4.178
126 HG2 PRO 20 HG2 PRO 20 -3.720 8.592 1.940
127 HG3 PRO 20 HG1 PRO 20 -2.284 9.299 2.701
128 HD2 PRO 20 HD2 PRO 20 -2.182 7.980 0.340
129 HD3 PRO 20 HD1 PRO 20 -0.841 7.983 1.499
130 H ASP 21 H ASP 21 -4.495 5.080 4.452
131 HA ASP 21 HA ASP 21 -6.475 3.899 2.921
132 HB2 ASP 21 HB2 ASP 21 -6.260 3.521 5.328
133 HB3 ASP 21 HB1 ASP 21 -6.709 5.202 5.618
134 H ASN 22 H ASN 22 -7.832 4.729 1.616
135 HA ASN 22 HA ASN 22 -8.965 6.157 0.383
136 HB2 ASN 22 HB2 ASN 22 -9.850 7.020 3.133
137 HB3 ASN 22 HB1 ASN 22 -10.523 7.666 1.636
138 HD21 ASN 22 HD21 ASN 22 -10.236 4.811 3.651
139 HD22 ASN 22 HD22 ASN 22 -11.506 3.934 2.893
140 H CYS 23 H CYS 23 -6.517 6.857 0.195
141 HA CYS 23 HA CYS 23 -5.800 9.475 0.693
142 HB2 CYS 23 HB2 CYS 23 -4.474 9.298 -1.420
143 HB3 CYS 23 HB1 CYS 23 -4.257 7.926 -0.334
144 H ASP 24 H ASP 24 -7.849 8.132 -1.651
145 HA ASP 24 HA ASP 24 -8.669 10.711 -2.704
146 HB2 ASP 24 HB2 ASP 24 -8.394 8.890 -4.355
147 HB3 ASP 24 HB1 ASP 24 -9.527 7.894 -3.457
148 H ALA 25 H ALA 25 -9.343 11.294 -0.688
149 HA ALA 25 HA ALA 25 -11.637 9.991 0.467
150 HB1 ALA 25 HB1 ALA 25 -9.983 10.999 1.973
151 HB2 ALA 25 HB2 ALA 25 -11.555 11.777 2.162
152 HB3 ALA 25 HB3 ALA 25 -10.277 12.581 1.249
153 H SER 26 H SER 26 -12.815 10.137 -1.414
154 HA SER 26 HA SER 26 -13.566 12.675 -2.379
155 HB2 SER 26 HB2 SER 26 -15.154 11.073 -3.749
156 HB3 SER 26 HB1 SER 26 -13.439 11.255 -4.126
157 HG SER 26 HG SER 26 -13.094 9.292 -3.568
158 H ARG 27 H ARG 27 -14.260 13.374 -0.374
159 HA ARG 27 HA ARG 27 -17.096 13.549 -0.315
160 HB2 ARG 27 HB2 ARG 27 -16.529 11.612 1.242
161 HB3 ARG 27 HB1 ARG 27 -15.583 12.742 2.193
162 HG2 ARG 27 HG2 ARG 27 -17.539 13.968 2.806
163 HG3 ARG 27 HG1 ARG 27 -18.528 13.036 1.676
164 HD2 ARG 27 HD2 ARG 27 -17.099 11.947 4.097
165 HD3 ARG 27 HD1 ARG 27 -18.836 12.228 3.949
166 HE ARG 27 HE ARG 27 -18.220 10.605 1.851
167 HH11 ARG 27 HH11 ARG 27 -17.959 10.314 5.375
168 HH12 ARG 27 HH12 ARG 27 -18.006 8.611 5.368
169 HH21 ARG 27 HH21 ARG 27 -18.259 8.279 1.857
170 HH22 ARG 27 HH22 ARG 27 -18.172 7.439 3.336
171 H GLY 28 H GLY 28 -16.940 15.650 -0.764
172 HA2 GLY 28 HA2 GLY 28 -16.330 17.869 -0.486
173 HA3 GLY 28 HA1 GLY 28 -15.281 17.404 0.870
174 H THR 29 H THR 29 -15.597 16.277 -2.413
175 HA THR 29 HA THR 29 -12.939 15.477 -2.681
176 HB THR 29 HB THR 29 -14.922 15.870 -4.904
177 HG1 THR 29 HG1 THR 29 -15.987 14.163 -4.182
178 HG21 THR 29 HG21 THR 29 -12.784 13.775 -4.404
179 HG22 THR 29 HG22 THR 29 -12.661 15.104 -5.557
180 HG23 THR 29 HG23 THR 29 -13.860 13.834 -5.800
181 H ASN 30 H ASN 30 -14.283 18.608 -3.169
182 HA ASN 30 HA ASN 30 -12.334 19.296 -5.218
183 HB2 ASN 30 HB2 ASN 30 -14.506 20.980 -3.938
184 HB3 ASN 30 HB1 ASN 30 -13.394 21.571 -5.163
185 HD21 ASN 30 HD21 ASN 30 -16.262 21.418 -5.282
186 HD22 ASN 30 HD22 ASN 30 -16.670 20.416 -6.624
187 HA PRO 31 HA PRO 31 -9.765 20.642 -1.759
188 HB2 PRO 31 HB2 PRO 31 -7.441 20.413 -3.384
189 HB3 PRO 31 HB1 PRO 31 -8.008 19.256 -2.181
190 HG2 PRO 31 HG2 PRO 31 -7.906 18.803 -4.928
191 HG3 PRO 31 HG1 PRO 31 -8.862 17.871 -3.765
192 HD2 PRO 31 HD2 PRO 31 -9.722 20.075 -5.591
193 HD3 PRO 31 HD1 PRO 31 -10.573 18.591 -5.091
Start of MODEL 14
1 H1 ASP 1 HT1 ASP 1 6.649 14.950 6.873
2 H2 ASP 1 HT2 ASP 1 5.114 14.213 6.835
3 H3 ASP 1 HT3 ASP 1 5.348 15.694 6.092
4 HA ASP 1 HA ASP 1 6.719 14.786 4.444
5 HB2 ASP 1 HB2 ASP 1 6.193 12.143 5.858
6 HB3 ASP 1 HB1 ASP 1 6.924 12.295 4.270
7 H VAL 2 H VAL 2 5.740 13.538 2.591
8 HA VAL 2 HA VAL 2 2.829 13.499 2.888
9 HB VAL 2 HB VAL 2 2.661 14.024 0.478
10 HG11 VAL 2 HG11 VAL 2 2.562 15.870 2.040
11 HG12 VAL 2 HG12 VAL 2 3.368 16.372 0.553
12 HG13 VAL 2 3HG1 VAL 2 4.317 16.026 1.998
13 HG21 VAL 2 HG21 VAL 2 4.644 14.782 -0.781
14 HG22 VAL 2 HG22 VAL 2 4.765 13.088 -0.305
15 HG23 VAL 2 HG23 VAL 2 5.664 14.320 0.578
16 H SER 3 H SER 3 1.852 12.020 1.137
17 HA SER 3 HA SER 3 3.578 9.731 0.655
18 HB2 SER 3 HB2 SER 3 0.846 9.559 1.945
19 HB3 SER 3 HB1 SER 3 1.861 8.187 1.490
20 HG SER 3 HG SER 3 3.412 9.645 2.859
21 HA PRO 4 HA PRO 4 1.514 10.443 -3.339
22 HB2 PRO 4 HB2 PRO 4 3.179 8.054 -3.932
23 HB3 PRO 4 HB1 PRO 4 3.067 9.571 -4.827
24 HG2 PRO 4 HG2 PRO 4 5.214 8.994 -3.348
25 HG3 PRO 4 HG1 PRO 4 4.587 10.646 -3.442
26 HD2 PRO 4 HD2 PRO 4 4.343 8.650 -1.240
27 HD3 PRO 4 HD1 PRO 4 4.520 10.414 -1.160
28 H CYS 5 H CYS 5 -0.357 9.491 -3.891
29 HA CYS 5 HA CYS 5 -1.536 7.474 -2.363
30 HB2 CYS 5 HB2 CYS 5 -2.770 9.189 -3.744
31 HB3 CYS 5 HB1 CYS 5 -2.239 8.223 -5.141
32 H PHE 6 H PHE 6 -0.867 5.470 -2.328
33 HA PHE 6 HA PHE 6 -0.475 4.169 -4.911
34 HB2 PHE 6 HB2 PHE 6 1.620 4.486 -3.459
35 HB3 PHE 6 HB1 PHE 6 0.900 3.292 -2.378
36 HD1 PHE 6 HD1 PHE 6 1.301 1.030 -2.773
37 HD2 PHE 6 HD2 PHE 6 1.727 3.854 -5.904
38 HE1 PHE 6 HE1 PHE 6 2.131 -0.746 -4.259
39 HE2 PHE 6 HE2 PHE 6 2.542 2.154 -7.386
40 HZ PHE 6 HZ PHE 6 2.766 -0.206 -6.579
41 H CYS 7 H CYS 7 -1.689 2.395 -5.209
42 HA CYS 7 HA CYS 7 -3.180 1.381 -2.901
43 HB2 CYS 7 HB2 CYS 7 -4.242 1.775 -5.689
44 HB3 CYS 7 HB1 CYS 7 -5.096 1.034 -4.358
45 H VAL 8 H VAL 8 -3.581 -0.754 -2.911
46 HA VAL 8 HA VAL 8 -2.584 -2.385 -5.138
47 HB VAL 8 HB VAL 8 -2.109 -3.198 -2.303
48 HG11 VAL 8 HG11 VAL 8 -0.464 -4.755 -3.255
49 HG12 VAL 8 HG12 VAL 8 -0.884 -4.170 -4.863
50 HG13 VAL 8 3HG1 VAL 8 -2.098 -4.987 -3.878
51 HG21 VAL 8 HG21 VAL 8 0.274 -2.554 -2.461
52 HG22 VAL 8 HG22 VAL 8 -0.791 -1.152 -2.567
53 HG23 VAL 8 HG23 VAL 8 -0.049 -1.807 -4.026
54 H GLU 9 H GLU 9 -3.894 -4.079 -5.442
55 HA GLU 9 HA GLU 9 -6.238 -4.287 -3.712
56 HB2 GLU 9 HB2 GLU 9 -6.554 -4.199 -6.191
57 HB3 GLU 9 HB1 GLU 9 -5.700 -5.735 -6.305
58 HG2 GLU 9 HG2 GLU 9 -7.377 -6.856 -5.057
59 HG3 GLU 9 HG1 GLU 9 -8.176 -5.339 -4.661
60 H ASP 10 H ASP 10 -6.051 -5.483 -2.051
61 HA ASP 10 HA ASP 10 -4.147 -7.689 -2.089
62 HB2 ASP 10 HB2 ASP 10 -3.811 -6.168 -0.261
63 HB3 ASP 10 HB1 ASP 10 -5.512 -6.280 0.197
64 H GLU 11 H GLU 11 -4.722 -9.561 -2.354
65 HA GLU 11 HA GLU 11 -7.369 -10.460 -2.677
66 HB2 GLU 11 HB2 GLU 11 -5.317 -11.394 -3.771
67 HB3 GLU 11 HB1 GLU 11 -4.876 -12.097 -2.226
68 HG2 GLU 11 HG2 GLU 11 -5.888 -13.721 -3.717
69 HG3 GLU 11 HG1 GLU 11 -6.866 -13.475 -2.268
70 H THR 12 H THR 12 -5.179 -10.414 0.056
71 HA THR 12 HA THR 12 -6.495 -12.439 1.550
72 HB THR 12 HB THR 12 -4.685 -10.235 2.551
73 HG1 THR 12 HG1 THR 12 -4.199 -12.772 1.376
74 HG21 THR 12 HG21 THR 12 -5.845 -11.507 4.325
75 HG22 THR 12 HG22 THR 12 -4.118 -11.865 4.314
76 HG23 THR 12 HG23 THR 12 -5.261 -13.015 3.620
77 H SER 13 H SER 13 -6.552 -8.910 1.652
78 HA SER 13 HA SER 13 -8.630 -8.784 3.620
79 HB2 SER 13 HB2 SER 13 -7.649 -6.675 1.730
80 HB3 SER 13 HB1 SER 13 -8.527 -6.401 3.236
81 HG SER 13 HG SER 13 -5.923 -7.491 2.900
82 H GLY 14 H GLY 14 -8.433 -8.993 0.178
83 HA2 GLY 14 HA2 GLY 14 -10.036 -9.241 -1.412
84 HA3 GLY 14 HA1 GLY 14 -11.242 -9.335 -0.124
85 H ALA 15 H ALA 15 -8.931 -6.778 -0.632
86 HA ALA 15 HA ALA 15 -10.828 -4.956 -1.783
87 HB1 ALA 15 HB1 ALA 15 -9.915 -4.535 1.063
88 HB2 ALA 15 HB2 ALA 15 -11.558 -4.922 0.553
89 HB3 ALA 15 HB3 ALA 15 -10.830 -3.382 0.094
90 H LYS 16 H LYS 16 -9.833 -3.084 -2.511
91 HA LYS 16 HA LYS 16 -6.967 -3.074 -2.616
92 HB2 LYS 16 HB2 LYS 16 -8.354 -2.546 -4.603
93 HB3 LYS 16 HB1 LYS 16 -8.986 -1.138 -3.762
94 HG2 LYS 16 HG2 LYS 16 -6.706 -0.227 -3.650
95 HG3 LYS 16 HG1 LYS 16 -6.127 -1.612 -4.562
96 HD2 LYS 16 HD2 LYS 16 -8.175 0.385 -5.554
97 HD3 LYS 16 HD1 LYS 16 -6.479 0.340 -6.031
98 HE2 LYS 16 HE2 LYS 16 -6.828 -1.932 -6.939
99 HE3 LYS 16 HE1 LYS 16 -8.531 -1.822 -6.514
100 HZ1 LYS 16 HZ1 LYS 16 -7.105 -0.079 -8.448
101 HZ2 LYS 16 HZ2 LYS 16 -8.744 0.059 -8.020
102 HZ3 LYS 16 HZ3 LYS 16 -8.206 -1.306 -8.817
103 H THR 17 H THR 17 -5.794 -2.258 -1.240
104 HA THR 17 HA THR 17 -6.820 -0.282 0.638
105 HB THR 17 HB THR 17 -5.908 -2.312 1.642
106 HG1 THR 17 HG1 THR 17 -4.275 -1.402 2.962
107 HG21 THR 17 HG21 THR 17 -3.526 -2.945 1.425
108 HG22 THR 17 HG22 THR 17 -3.313 -1.670 0.225
109 HG23 THR 17 HG23 THR 17 -4.374 -3.035 -0.119
110 H CYS 18 H CYS 18 -5.681 1.673 0.911
111 HA CYS 18 HA CYS 18 -3.597 2.193 -1.081
112 HB2 CYS 18 HB2 CYS 18 -5.802 4.113 -0.414
113 HB3 CYS 18 HB1 CYS 18 -4.498 4.361 -1.534
114 H VAL 19 H VAL 19 -2.354 3.961 -0.645
115 HA VAL 19 HA VAL 19 -2.372 4.962 2.060
116 HB VAL 19 HB VAL 19 -0.725 3.158 2.096
117 HG11 VAL 19 HG11 VAL 19 -0.122 2.998 -0.227
118 HG12 VAL 19 HG12 VAL 19 1.333 3.221 0.749
119 HG13 VAL 19 3HG1 VAL 19 0.666 4.574 -0.163
120 HG21 VAL 19 HG21 VAL 19 0.587 5.869 2.137
121 HG22 VAL 19 HG22 VAL 19 1.257 4.404 2.855
122 HG23 VAL 19 HG23 VAL 19 -0.249 5.083 3.477
123 HA PRO 20 HA PRO 20 -2.175 6.646 3.137
124 HB2 PRO 20 HB2 PRO 20 -3.629 8.898 3.356
125 HB3 PRO 20 HB1 PRO 20 -1.861 8.925 3.418
126 HG2 PRO 20 HG2 PRO 20 -3.690 9.523 1.140
127 HG3 PRO 20 HG1 PRO 20 -2.278 10.427 1.668
128 HD2 PRO 20 HD2 PRO 20 -2.160 8.696 -0.411
129 HD3 PRO 20 HD1 PRO 20 -0.783 8.953 0.674
130 H ASP 21 H ASP 21 -4.268 6.564 4.157
131 HA ASP 21 HA ASP 21 -6.139 4.939 2.910
132 HB2 ASP 21 HB2 ASP 21 -5.873 5.088 5.332
133 HB3 ASP 21 HB1 ASP 21 -6.418 6.759 5.284
134 H ASN 22 H ASN 22 -7.821 5.330 1.625
135 HA ASN 22 HA ASN 22 -9.410 6.249 0.423
136 HB2 ASN 22 HB2 ASN 22 -9.347 8.443 2.494
137 HB3 ASN 22 HB1 ASN 22 -10.466 8.325 1.141
138 HD21 ASN 22 HD21 ASN 22 -10.810 5.440 1.322
139 HD22 ASN 22 HD22 ASN 22 -11.726 5.138 2.723
140 H CYS 23 H CYS 23 -6.427 7.134 0.015
141 HA CYS 23 HA CYS 23 -6.579 9.721 -1.082
142 HB2 CYS 23 HB2 CYS 23 -4.401 9.284 -2.080
143 HB3 CYS 23 HB1 CYS 23 -4.460 8.713 -0.418
144 H ASP 24 H ASP 24 -7.436 6.708 -2.389
145 HA ASP 24 HA ASP 24 -7.290 7.799 -5.074
146 HB2 ASP 24 HB2 ASP 24 -6.471 5.471 -4.764
147 HB3 ASP 24 HB1 ASP 24 -8.100 4.986 -4.308
148 H ALA 25 H ALA 25 -8.720 9.280 -4.527
149 HA ALA 25 HA ALA 25 -11.325 8.748 -5.626
150 HB1 ALA 25 HB1 ALA 25 -12.541 9.798 -3.711
151 HB2 ALA 25 HB2 ALA 25 -11.035 9.765 -2.787
152 HB3 ALA 25 HB3 ALA 25 -11.800 8.256 -3.282
153 H SER 26 H SER 26 -8.832 10.132 -6.099
154 HA SER 26 HA SER 26 -9.834 12.843 -6.264
155 HB2 SER 26 HB2 SER 26 -7.044 12.028 -5.411
156 HB3 SER 26 HB1 SER 26 -7.565 13.685 -5.711
157 HG SER 26 HG SER 26 -9.079 13.442 -4.004
158 H ARG 27 H ARG 27 -10.327 12.553 -8.370
159 HA ARG 27 HA ARG 27 -8.465 11.516 -10.288
160 HB2 ARG 27 HB2 ARG 27 -10.891 11.393 -10.676
161 HB3 ARG 27 HB1 ARG 27 -10.985 13.147 -10.654
162 HG2 ARG 27 HG2 ARG 27 -9.474 13.185 -12.638
163 HG3 ARG 27 HG1 ARG 27 -9.604 11.428 -12.698
164 HD2 ARG 27 HD2 ARG 27 -11.160 12.468 -14.254
165 HD3 ARG 27 HD1 ARG 27 -12.025 11.621 -12.975
166 HE ARG 27 HE ARG 27 -12.255 13.873 -11.897
167 HH11 ARG 27 HH11 ARG 27 -11.824 13.700 -15.403
168 HH12 ARG 27 HH12 ARG 27 -12.769 15.066 -15.733
169 HH21 ARG 27 HH21 ARG 27 -13.553 15.735 -12.340
170 HH22 ARG 27 HH22 ARG 27 -13.760 16.293 -13.940
171 H GLY 28 H GLY 28 -9.426 14.553 -9.047
172 HA2 GLY 28 HA2 GLY 28 -8.076 16.479 -9.007
173 HA3 GLY 28 HA1 GLY 28 -7.195 15.854 -10.404
174 H THR 29 H THR 29 -10.084 17.443 -9.320
175 HA THR 29 HA THR 29 -11.425 17.627 -11.773
176 HB THR 29 HB THR 29 -11.478 19.549 -9.433
177 HG1 THR 29 HG1 THR 29 -13.392 18.124 -8.985
178 HG21 THR 29 HG21 THR 29 -13.538 18.913 -11.563
179 HG22 THR 29 HG22 THR 29 -12.610 20.409 -11.447
180 HG23 THR 29 HG23 THR 29 -13.785 20.000 -10.196
181 H ASN 30 H ASN 30 -9.224 19.853 -10.109
182 HA ASN 30 HA ASN 30 -8.596 20.953 -12.737
183 HB2 ASN 30 HB2 ASN 30 -9.778 22.642 -11.352
184 HB3 ASN 30 HB1 ASN 30 -8.549 22.459 -10.110
185 HD21 ASN 30 HD21 ASN 30 -6.525 23.392 -10.410
186 HD22 ASN 30 HD22 ASN 30 -6.210 24.513 -11.678
187 HA PRO 31 HA PRO 31 -4.760 19.034 -11.307
188 HB2 PRO 31 HB2 PRO 31 -4.143 19.362 -14.184
189 HB3 PRO 31 HB1 PRO 31 -4.055 17.904 -13.190
190 HG2 PRO 31 HG2 PRO 31 -5.975 18.212 -15.026
191 HG3 PRO 31 HG1 PRO 31 -6.300 17.416 -13.476
192 HD2 PRO 31 HD2 PRO 31 -6.939 20.211 -14.334
193 HD3 PRO 31 HD1 PRO 31 -7.928 19.055 -13.414
Start of MODEL 15
1 H1 ASP 1 HT1 ASP 1 8.114 13.834 5.151
2 H2 ASP 1 HT2 ASP 1 9.208 12.874 6.033
3 H3 ASP 1 HT3 ASP 1 7.661 13.223 6.660
4 HA ASP 1 HA ASP 1 8.180 11.704 4.209
5 HB2 ASP 1 HB2 ASP 1 8.887 10.428 6.181
6 HB3 ASP 1 HB1 ASP 1 7.331 10.756 6.942
7 H VAL 2 H VAL 2 6.568 11.988 2.890
8 HA VAL 2 HA VAL 2 3.885 12.189 4.027
9 HB VAL 2 HB VAL 2 4.577 14.262 2.800
10 HG11 VAL 2 HG11 VAL 2 4.867 14.241 0.363
11 HG12 VAL 2 HG12 VAL 2 4.870 12.477 0.405
12 HG13 VAL 2 3HG1 VAL 2 6.142 13.380 1.225
13 HG21 VAL 2 HG21 VAL 2 2.414 12.692 1.397
14 HG22 VAL 2 HG22 VAL 2 2.640 14.437 1.280
15 HG23 VAL 2 HG23 VAL 2 2.216 13.704 2.828
16 H SER 3 H SER 3 2.320 10.823 3.019
17 HA SER 3 HA SER 3 3.559 8.500 1.832
18 HB2 SER 3 HB2 SER 3 0.714 8.959 2.741
19 HB3 SER 3 HB1 SER 3 1.476 7.406 2.386
20 HG SER 3 HG SER 3 1.340 8.028 4.640
21 HA PRO 4 HA PRO 4 2.205 10.077 -2.272
22 HB2 PRO 4 HB2 PRO 4 3.289 7.435 -3.056
23 HB3 PRO 4 HB1 PRO 4 3.702 9.021 -3.705
24 HG2 PRO 4 HG2 PRO 4 5.411 7.717 -2.150
25 HG3 PRO 4 HG1 PRO 4 5.193 9.465 -1.965
26 HD2 PRO 4 HD2 PRO 4 4.089 7.239 -0.295
27 HD3 PRO 4 HD1 PRO 4 4.796 8.792 0.206
28 H CYS 5 H CYS 5 0.510 9.392 -3.676
29 HA CYS 5 HA CYS 5 -1.415 7.705 -2.428
30 HB2 CYS 5 HB2 CYS 5 -2.083 9.680 -3.767
31 HB3 CYS 5 HB1 CYS 5 -1.431 8.869 -5.192
32 H PHE 6 H PHE 6 -0.991 5.563 -2.371
33 HA PHE 6 HA PHE 6 -0.773 4.322 -4.995
34 HB2 PHE 6 HB2 PHE 6 1.436 4.439 -3.656
35 HB3 PHE 6 HB1 PHE 6 0.704 3.210 -2.630
36 HD1 PHE 6 HD1 PHE 6 1.622 3.997 -6.101
37 HD2 PHE 6 HD2 PHE 6 0.734 0.946 -3.280
38 HE1 PHE 6 HE1 PHE 6 2.318 2.334 -7.724
39 HE2 PHE 6 HE2 PHE 6 1.435 -0.761 -4.906
40 HZ PHE 6 HZ PHE 6 2.232 -0.081 -7.139
41 H CYS 7 H CYS 7 -2.344 2.886 -5.276
42 HA CYS 7 HA CYS 7 -3.602 1.734 -2.896
43 HB2 CYS 7 HB2 CYS 7 -4.768 2.153 -5.638
44 HB3 CYS 7 HB1 CYS 7 -5.574 1.335 -4.320
45 H VAL 8 H VAL 8 -4.067 -0.418 -2.892
46 HA VAL 8 HA VAL 8 -2.933 -2.071 -5.040
47 HB VAL 8 HB VAL 8 -2.632 -2.769 -2.139
48 HG11 VAL 8 HG11 VAL 8 -0.923 -4.344 -2.897
49 HG12 VAL 8 HG12 VAL 8 -1.239 -3.853 -4.560
50 HG13 VAL 8 3HG1 VAL 8 -2.508 -4.635 -3.617
51 HG21 VAL 8 HG21 VAL 8 -1.321 -0.732 -2.413
52 HG22 VAL 8 HG22 VAL 8 -0.498 -1.428 -3.809
53 HG23 VAL 8 HG23 VAL 8 -0.247 -2.114 -2.204
54 H GLU 9 H GLU 9 -4.135 -3.883 -5.333
55 HA GLU 9 HA GLU 9 -6.611 -4.154 -3.787
56 HB2 GLU 9 HB2 GLU 9 -6.667 -4.312 -6.307
57 HB3 GLU 9 HB1 GLU 9 -5.659 -5.750 -6.179
58 HG2 GLU 9 HG2 GLU 9 -7.373 -6.871 -4.900
59 HG3 GLU 9 HG1 GLU 9 -8.374 -5.426 -4.951
60 H ASP 10 H ASP 10 -6.302 -5.180 -1.950
61 HA ASP 10 HA ASP 10 -4.070 -6.985 -1.742
62 HB2 ASP 10 HB2 ASP 10 -4.236 -5.377 0.029
63 HB3 ASP 10 HB1 ASP 10 -5.908 -5.823 0.344
64 H GLU 11 H GLU 11 -4.217 -8.953 -1.911
65 HA GLU 11 HA GLU 11 -6.664 -10.324 -2.360
66 HB2 GLU 11 HB2 GLU 11 -5.283 -12.325 -2.550
67 HB3 GLU 11 HB1 GLU 11 -4.628 -10.995 -3.486
68 HG2 GLU 11 HG2 GLU 11 -2.933 -10.585 -1.818
69 HG3 GLU 11 HG1 GLU 11 -3.637 -11.806 -0.760
70 H THR 12 H THR 12 -4.674 -9.792 0.413
71 HA THR 12 HA THR 12 -5.433 -11.981 2.002
72 HB THR 12 HB THR 12 -4.614 -9.272 3.008
73 HG1 THR 12 HG1 THR 12 -3.049 -9.448 1.636
74 HG21 THR 12 HG21 THR 12 -3.345 -10.610 4.634
75 HG22 THR 12 HG22 THR 12 -3.880 -12.088 3.835
76 HG23 THR 12 HG23 THR 12 -5.053 -11.054 4.654
77 H SER 13 H SER 13 -6.486 -8.586 1.930
78 HA SER 13 HA SER 13 -8.713 -8.998 3.691
79 HB2 SER 13 HB2 SER 13 -8.184 -6.715 1.830
80 HB3 SER 13 HB1 SER 13 -9.169 -6.688 3.295
81 HG SER 13 HG SER 13 -6.368 -6.910 3.028
82 H GLY 14 H GLY 14 -8.154 -8.858 0.244
83 HA2 GLY 14 HA2 GLY 14 -9.515 -9.737 -1.406
84 HA3 GLY 14 HA1 GLY 14 -10.803 -9.903 -0.214
85 H ALA 15 H ALA 15 -9.004 -6.961 -0.550
86 HA ALA 15 HA ALA 15 -10.961 -5.660 -2.218
87 HB1 ALA 15 HB1 ALA 15 -12.134 -5.645 -0.086
88 HB2 ALA 15 HB2 ALA 15 -11.611 -4.006 -0.495
89 HB3 ALA 15 HB3 ALA 15 -10.719 -4.953 0.696
90 H LYS 16 H LYS 16 -10.359 -3.426 -2.640
91 HA LYS 16 HA LYS 16 -7.556 -2.962 -2.810
92 HB2 LYS 16 HB2 LYS 16 -9.125 -2.179 -4.540
93 HB3 LYS 16 HB1 LYS 16 -9.898 -1.130 -3.362
94 HG2 LYS 16 HG2 LYS 16 -7.679 0.025 -3.076
95 HG3 LYS 16 HG1 LYS 16 -7.094 -0.915 -4.445
96 HD2 LYS 16 HD2 LYS 16 -9.425 1.009 -4.488
97 HD3 LYS 16 HD1 LYS 16 -7.812 1.339 -5.112
98 HE2 LYS 16 HE2 LYS 16 -8.094 -0.503 -6.723
99 HE3 LYS 16 HE1 LYS 16 -9.727 -0.765 -6.110
100 HZ1 LYS 16 HZ1 LYS 16 -10.279 1.507 -6.791
101 HZ2 LYS 16 HZ2 LYS 16 -9.777 0.603 -8.108
102 HZ3 LYS 16 HZ3 LYS 16 -8.735 1.714 -7.401
103 H THR 17 H THR 17 -6.307 -1.960 -1.501
104 HA THR 17 HA THR 17 -7.448 -0.249 0.546
105 HB THR 17 HB THR 17 -6.785 -2.284 1.667
106 HG1 THR 17 HG1 THR 17 -4.490 -0.982 2.337
107 HG21 THR 17 HG21 THR 17 -4.498 -3.206 1.546
108 HG22 THR 17 HG22 THR 17 -4.097 -2.004 0.317
109 HG23 THR 17 HG23 THR 17 -5.309 -3.238 -0.021
110 H CYS 18 H CYS 18 -6.267 1.628 0.852
111 HA CYS 18 HA CYS 18 -4.045 1.956 -1.039
112 HB2 CYS 18 HB2 CYS 18 -5.881 4.160 -0.188
113 HB3 CYS 18 HB1 CYS 18 -4.624 4.227 -1.381
114 H VAL 19 H VAL 19 -2.504 3.401 -0.495
115 HA VAL 19 HA VAL 19 -2.253 4.046 2.352
116 HB VAL 19 HB VAL 19 0.024 3.081 0.583
117 HG11 VAL 19 HG11 VAL 19 0.748 4.639 2.289
118 HG12 VAL 19 HG12 VAL 19 1.334 3.016 2.655
119 HG13 VAL 19 3HG1 VAL 19 -0.044 3.675 3.535
120 HG21 VAL 19 HG21 VAL 19 0.068 1.047 1.970
121 HG22 VAL 19 HG22 VAL 19 -1.447 1.208 1.082
122 HG23 VAL 19 HG23 VAL 19 -1.387 1.598 2.800
123 HA PRO 20 HA PRO 20 -2.538 5.720 3.318
124 HB2 PRO 20 HB2 PRO 20 -3.746 8.112 3.394
125 HB3 PRO 20 HB1 PRO 20 -2.045 7.907 3.852
126 HG2 PRO 20 HG2 PRO 20 -3.243 8.924 1.310
127 HG3 PRO 20 HG1 PRO 20 -1.840 9.532 2.200
128 HD2 PRO 20 HD2 PRO 20 -1.609 7.949 -0.010
129 HD3 PRO 20 HD1 PRO 20 -0.427 7.961 1.299
130 H ASP 21 H ASP 21 -4.830 5.849 3.937
131 HA ASP 21 HA ASP 21 -6.527 4.692 2.013
132 HB2 ASP 21 HB2 ASP 21 -6.868 4.279 4.414
133 HB3 ASP 21 HB1 ASP 21 -7.249 5.986 4.642
134 H ASN 22 H ASN 22 -7.724 5.535 0.530
135 HA ASN 22 HA ASN 22 -8.560 6.936 -0.906
136 HB2 ASN 22 HB2 ASN 22 -9.446 8.260 1.638
137 HB3 ASN 22 HB1 ASN 22 -9.855 8.872 0.036
138 HD21 ASN 22 HD21 ASN 22 -10.235 6.216 2.242
139 HD22 ASN 22 HD22 ASN 22 -11.603 5.532 1.474
140 H CYS 23 H CYS 23 -5.915 7.208 -0.701
141 HA CYS 23 HA CYS 23 -5.059 9.832 -0.494
142 HB2 CYS 23 HB2 CYS 23 -3.178 9.138 -1.955
143 HB3 CYS 23 HB1 CYS 23 -3.498 8.010 -0.640
144 H ASP 24 H ASP 24 -6.708 8.220 -3.009
145 HA ASP 24 HA ASP 24 -6.724 10.704 -4.506
146 HB2 ASP 24 HB2 ASP 24 -7.363 7.920 -5.428
147 HB3 ASP 24 HB1 ASP 24 -8.123 9.276 -6.249
148 H ALA 25 H ALA 25 -7.849 11.648 -2.964
149 HA ALA 25 HA ALA 25 -10.763 11.258 -3.224
150 HB1 ALA 25 HB1 ALA 25 -11.048 11.931 -0.902
151 HB2 ALA 25 HB2 ALA 25 -9.301 12.093 -0.724
152 HB3 ALA 25 HB3 ALA 25 -10.014 10.507 -1.025
153 H SER 26 H SER 26 -8.437 13.129 -4.235
154 HA SER 26 HA SER 26 -9.829 15.597 -3.583
155 HB2 SER 26 HB2 SER 26 -7.001 15.241 -4.605
156 HB3 SER 26 HB1 SER 26 -7.741 16.771 -4.126
157 HG SER 26 HG SER 26 -6.453 15.086 -2.579
158 H ARG 27 H ARG 27 -9.638 13.368 -5.809
159 HA ARG 27 HA ARG 27 -10.907 14.940 -7.897
160 HB2 ARG 27 HB2 ARG 27 -8.389 13.349 -8.472
161 HB3 ARG 27 HB1 ARG 27 -9.477 13.951 -9.701
162 HG2 ARG 27 HG2 ARG 27 -8.912 16.244 -9.058
163 HG3 ARG 27 HG1 ARG 27 -7.828 15.612 -7.814
164 HD2 ARG 27 HD2 ARG 27 -6.564 14.423 -9.566
165 HD3 ARG 27 HD1 ARG 27 -7.595 15.151 -10.790
166 HE ARG 27 HE ARG 27 -6.568 17.242 -9.339
167 HH11 ARG 27 HH11 ARG 27 -5.334 14.661 -11.392
168 HH12 ARG 27 HH12 ARG 27 -3.849 15.397 -11.727
169 HH21 ARG 27 HH21 ARG 27 -4.548 18.346 -9.852
170 HH22 ARG 27 HH22 ARG 27 -3.389 17.582 -10.822
171 H GLY 28 H GLY 28 -12.590 13.745 -8.551
172 HA2 GLY 28 HA2 GLY 28 -13.366 11.778 -9.679
173 HA3 GLY 28 HA1 GLY 28 -12.253 10.832 -8.703
174 H THR 29 H THR 29 -14.290 9.605 -8.444
175 HA THR 29 HA THR 29 -16.006 10.722 -6.361
176 HB THR 29 HB THR 29 -16.494 8.404 -8.254
177 HG1 THR 29 HG1 THR 29 -17.742 10.955 -8.291
178 HG21 THR 29 HG21 THR 29 -17.748 8.208 -6.156
179 HG22 THR 29 HG22 THR 29 -18.837 8.579 -7.494
180 HG23 THR 29 HG23 THR 29 -18.371 9.843 -6.356
181 H ASN 30 H ASN 30 -15.336 10.050 -4.402
182 HA ASN 30 HA ASN 30 -14.565 7.249 -4.088
183 HB2 ASN 30 HB2 ASN 30 -12.856 7.855 -2.451
184 HB3 ASN 30 HB1 ASN 30 -12.536 8.724 -3.945
185 HD21 ASN 30 HD21 ASN 30 -13.361 8.997 -0.595
186 HD22 ASN 30 HD22 ASN 30 -13.304 10.716 -0.504
187 HA PRO 31 HA PRO 31 -17.649 7.599 -0.838
188 HB2 PRO 31 HB2 PRO 31 -16.586 5.221 0.436
189 HB3 PRO 31 HB1 PRO 31 -18.096 5.401 -0.454
190 HG2 PRO 31 HG2 PRO 31 -15.956 3.937 -1.348
191 HG3 PRO 31 HG1 PRO 31 -17.180 4.657 -2.401
192 HD2 PRO 31 HD2 PRO 31 -14.403 5.581 -1.827
193 HD3 PRO 31 HD1 PRO 31 -15.367 5.670 -3.311
Start of MODEL 16
1 H1 ASP 1 HT1 ASP 1 -1.052 17.841 5.152
2 H2 ASP 1 HT2 ASP 1 -1.611 16.291 4.689
3 H3 ASP 1 HT3 ASP 1 -2.318 17.648 4.063
4 HA ASP 1 HA ASP 1 -0.448 18.228 2.808
5 HB2 ASP 1 HB2 ASP 1 0.801 15.798 4.102
6 HB3 ASP 1 HB1 ASP 1 1.457 16.597 2.679
7 H VAL 2 H VAL 2 -0.316 17.423 0.714
8 HA VAL 2 HA VAL 2 -2.209 15.302 0.192
9 HB VAL 2 HB VAL 2 -0.557 16.824 -1.847
10 HG11 VAL 2 HG11 VAL 2 -1.548 14.761 -2.654
11 HG12 VAL 2 HG12 VAL 2 -2.316 16.162 -3.404
12 HG13 VAL 2 3HG1 VAL 2 -3.139 15.292 -2.108
13 HG21 VAL 2 HG21 VAL 2 -3.324 17.474 -0.847
14 HG22 VAL 2 HG22 VAL 2 -2.482 18.300 -2.159
15 HG23 VAL 2 HG23 VAL 2 -1.866 18.405 -0.511
16 H SER 3 H SER 3 -1.231 13.504 0.890
17 HA SER 3 HA SER 3 1.500 12.922 0.319
18 HB2 SER 3 HB2 SER 3 0.241 12.235 2.407
19 HB3 SER 3 HB1 SER 3 -0.644 11.086 1.415
20 HG SER 3 HG SER 3 2.065 11.132 2.131
21 HA PRO 4 HA PRO 4 0.756 11.141 -3.769
22 HB2 PRO 4 HB2 PRO 4 3.201 9.585 -3.112
23 HB3 PRO 4 HB1 PRO 4 2.864 10.602 -4.517
24 HG2 PRO 4 HG2 PRO 4 4.522 11.438 -2.606
25 HG3 PRO 4 HG1 PRO 4 3.397 12.561 -3.391
26 HD2 PRO 4 HD2 PRO 4 3.218 11.265 -0.702
27 HD3 PRO 4 HD1 PRO 4 2.797 12.919 -1.205
28 H CYS 5 H CYS 5 -0.502 9.468 -4.211
29 HA CYS 5 HA CYS 5 -0.647 7.392 -2.178
30 HB2 CYS 5 HB2 CYS 5 -2.644 8.707 -2.411
31 HB3 CYS 5 HB1 CYS 5 -2.741 8.296 -4.120
32 H PHE 6 H PHE 6 -0.597 5.334 -2.613
33 HA PHE 6 HA PHE 6 -0.717 4.426 -5.356
34 HB2 PHE 6 HB2 PHE 6 1.099 2.765 -4.928
35 HB3 PHE 6 HB1 PHE 6 1.684 4.416 -4.849
36 HD1 PHE 6 HD1 PHE 6 1.240 1.296 -3.077
37 HD2 PHE 6 HD2 PHE 6 2.238 5.411 -2.632
38 HE1 PHE 6 HE1 PHE 6 2.256 0.811 -0.891
39 HE2 PHE 6 HE2 PHE 6 3.249 4.933 -0.445
40 HZ PHE 6 HZ PHE 6 3.262 2.631 0.428
41 H CYS 7 H CYS 7 -1.799 2.464 -5.563
42 HA CYS 7 HA CYS 7 -3.036 1.516 -3.079
43 HB2 CYS 7 HB2 CYS 7 -4.282 1.651 -5.819
44 HB3 CYS 7 HB1 CYS 7 -5.045 1.051 -4.361
45 H VAL 8 H VAL 8 -3.463 -0.646 -2.917
46 HA VAL 8 HA VAL 8 -2.454 -2.440 -5.023
47 HB VAL 8 HB VAL 8 -2.040 -3.039 -2.118
48 HG11 VAL 8 HG11 VAL 8 -0.363 -4.643 -2.905
49 HG12 VAL 8 HG12 VAL 8 -0.746 -4.184 -4.564
50 HG13 VAL 8 3HG1 VAL 8 -1.979 -4.933 -3.550
51 HG21 VAL 8 HG21 VAL 8 0.046 -1.733 -3.878
52 HG22 VAL 8 HG22 VAL 8 0.357 -2.405 -2.278
53 HG23 VAL 8 HG23 VAL 8 -0.719 -1.019 -2.461
54 H GLU 9 H GLU 9 -3.736 -4.251 -5.173
55 HA GLU 9 HA GLU 9 -6.148 -4.264 -3.527
56 HB2 GLU 9 HB2 GLU 9 -6.368 -4.538 -6.010
57 HB3 GLU 9 HB1 GLU 9 -5.482 -6.054 -5.864
58 HG2 GLU 9 HG2 GLU 9 -7.212 -6.980 -4.457
59 HG3 GLU 9 HG1 GLU 9 -8.089 -5.456 -4.483
60 H ASP 10 H ASP 10 -6.026 -5.270 -1.677
61 HA ASP 10 HA ASP 10 -4.079 -7.387 -1.412
62 HB2 ASP 10 HB2 ASP 10 -4.300 -5.746 0.445
63 HB3 ASP 10 HB1 ASP 10 -5.957 -6.304 0.694
64 H GLU 11 H GLU 11 -4.557 -9.292 -1.872
65 HA GLU 11 HA GLU 11 -7.219 -10.031 -2.553
66 HB2 GLU 11 HB2 GLU 11 -5.059 -10.768 -3.683
67 HB3 GLU 11 HB1 GLU 11 -4.836 -11.857 -2.326
68 HG2 GLU 11 HG2 GLU 11 -5.789 -13.070 -4.148
69 HG3 GLU 11 HG1 GLU 11 -7.003 -12.914 -2.878
70 H THR 12 H THR 12 -5.288 -10.258 0.361
71 HA THR 12 HA THR 12 -6.573 -12.586 1.404
72 HB THR 12 HB THR 12 -5.034 -10.411 2.840
73 HG1 THR 12 HG1 THR 12 -3.248 -11.880 2.568
74 HG21 THR 12 HG21 THR 12 -5.537 -13.299 3.577
75 HG22 THR 12 HG22 THR 12 -6.290 -11.896 4.336
76 HG23 THR 12 HG23 THR 12 -4.553 -12.160 4.494
77 H SER 13 H SER 13 -6.836 -9.113 1.794
78 HA SER 13 HA SER 13 -9.086 -9.273 3.596
79 HB2 SER 13 HB2 SER 13 -7.957 -6.889 2.192
80 HB3 SER 13 HB1 SER 13 -8.860 -6.915 3.712
81 HG SER 13 HG SER 13 -6.253 -7.925 3.198
82 H GLY 14 H GLY 14 -8.507 -9.098 0.223
83 HA2 GLY 14 HA2 GLY 14 -9.952 -9.329 -1.532
84 HA3 GLY 14 HA1 GLY 14 -11.288 -9.353 -0.386
85 H ALA 15 H ALA 15 -8.987 -6.760 -0.343
86 HA ALA 15 HA ALA 15 -10.775 -5.019 -1.818
87 HB1 ALA 15 HB1 ALA 15 -11.755 -5.038 0.420
88 HB2 ALA 15 HB2 ALA 15 -11.080 -3.456 0.025
89 HB3 ALA 15 HB3 ALA 15 -10.204 -4.545 1.100
90 H LYS 16 H LYS 16 -9.819 -3.174 -2.541
91 HA LYS 16 HA LYS 16 -6.957 -3.058 -2.511
92 HB2 LYS 16 HB2 LYS 16 -8.293 -2.561 -4.542
93 HB3 LYS 16 HB1 LYS 16 -9.012 -1.189 -3.714
94 HG2 LYS 16 HG2 LYS 16 -6.792 -0.154 -3.562
95 HG3 LYS 16 HG1 LYS 16 -6.100 -1.536 -4.401
96 HD2 LYS 16 HD2 LYS 16 -6.349 0.079 -6.087
97 HD3 LYS 16 HD1 LYS 16 -7.732 -0.982 -6.300
98 HE2 LYS 16 HE2 LYS 16 -7.800 1.672 -4.845
99 HE3 LYS 16 HE1 LYS 16 -8.246 1.456 -6.525
100 HZ1 LYS 16 HZ1 LYS 16 -10.190 1.517 -5.219
101 HZ2 LYS 16 HZ2 LYS 16 -9.636 0.403 -4.125
102 HZ3 LYS 16 HZ3 LYS 16 -10.030 -0.091 -5.704
103 H THR 17 H THR 17 -5.714 -1.917 -1.345
104 HA THR 17 HA THR 17 -6.936 0.120 0.330
105 HB THR 17 HB THR 17 -6.235 -1.831 1.685
106 HG1 THR 17 HG1 THR 17 -6.061 -0.057 2.811
107 HG21 THR 17 HG21 THR 17 -3.450 -1.271 0.636
108 HG22 THR 17 HG22 THR 17 -4.421 -2.698 0.276
109 HG23 THR 17 HG23 THR 17 -3.844 -2.414 1.919
110 H CYS 18 H CYS 18 -5.719 1.998 0.554
111 HA CYS 18 HA CYS 18 -3.535 2.266 -1.377
112 HB2 CYS 18 HB2 CYS 18 -5.586 4.333 -0.647
113 HB3 CYS 18 HB1 CYS 18 -4.316 4.519 -1.815
114 H VAL 19 H VAL 19 -2.173 4.061 -0.879
115 HA VAL 19 HA VAL 19 -2.067 4.727 1.970
116 HB VAL 19 HB VAL 19 0.359 4.154 0.226
117 HG11 VAL 19 HG11 VAL 19 0.179 4.768 3.175
118 HG12 VAL 19 HG12 VAL 19 0.787 5.845 1.921
119 HG13 VAL 19 3HG1 VAL 19 1.654 4.356 2.296
120 HG21 VAL 19 HG21 VAL 19 -0.796 2.505 2.475
121 HG22 VAL 19 HG22 VAL 19 0.723 2.172 1.638
122 HG23 VAL 19 HG23 VAL 19 -0.807 2.077 0.765
123 HA PRO 20 HA PRO 20 -2.418 6.337 3.082
124 HB2 PRO 20 HB2 PRO 20 -4.102 8.421 3.300
125 HB3 PRO 20 HB1 PRO 20 -2.373 8.563 3.628
126 HG2 PRO 20 HG2 PRO 20 -3.910 9.306 1.169
127 HG3 PRO 20 HG1 PRO 20 -2.639 10.219 1.987
128 HD2 PRO 20 HD2 PRO 20 -2.162 8.738 -0.236
129 HD3 PRO 20 HD1 PRO 20 -0.945 8.961 1.036
130 H ASP 21 H ASP 21 -4.485 5.801 3.832
131 HA ASP 21 HA ASP 21 -6.067 4.415 1.925
132 HB2 ASP 21 HB2 ASP 21 -5.681 3.560 4.196
133 HB3 ASP 21 HB1 ASP 21 -6.501 4.975 4.843
134 H ASN 22 H ASN 22 -7.802 5.067 0.871
135 HA ASN 22 HA ASN 22 -9.425 6.270 0.007
136 HB2 ASN 22 HB2 ASN 22 -9.578 7.382 2.786
137 HB3 ASN 22 HB1 ASN 22 -10.542 7.992 1.435
138 HD21 ASN 22 HD21 ASN 22 -12.142 6.752 0.618
139 HD22 ASN 22 HD22 ASN 22 -12.765 5.357 1.415
140 H CYS 23 H CYS 23 -6.662 7.093 -0.163
141 HA CYS 23 HA CYS 23 -6.212 9.803 -0.067
142 HB2 CYS 23 HB2 CYS 23 -4.563 9.364 -1.853
143 HB3 CYS 23 HB1 CYS 23 -4.479 8.213 -0.523
144 H ASP 24 H ASP 24 -7.639 7.984 -2.603
145 HA ASP 24 HA ASP 24 -8.010 10.405 -4.165
146 HB2 ASP 24 HB2 ASP 24 -7.012 8.525 -5.402
147 HB3 ASP 24 HB1 ASP 24 -8.439 7.548 -5.078
148 H ALA 25 H ALA 25 -9.430 11.137 -2.796
149 HA ALA 25 HA ALA 25 -12.121 9.995 -2.703
150 HB1 ALA 25 HB1 ALA 25 -10.923 12.460 -1.422
151 HB2 ALA 25 HB2 ALA 25 -11.165 10.899 -0.637
152 HB3 ALA 25 HB3 ALA 25 -12.557 11.862 -1.136
153 H SER 26 H SER 26 -11.032 10.849 -5.214
154 HA SER 26 HA SER 26 -12.218 13.426 -5.808
155 HB2 SER 26 HB2 SER 26 -10.949 11.589 -7.800
156 HB3 SER 26 HB1 SER 26 -10.957 13.350 -7.767
157 HG SER 26 HG SER 26 -9.131 11.684 -6.823
158 H ARG 27 H ARG 27 -13.372 10.531 -5.438
159 HA ARG 27 HA ARG 27 -15.636 10.981 -7.137
160 HB2 ARG 27 HB2 ARG 27 -14.237 9.907 -8.750
161 HB3 ARG 27 HB1 ARG 27 -13.817 8.632 -7.617
162 HG2 ARG 27 HG2 ARG 27 -16.054 7.795 -7.661
163 HG3 ARG 27 HG1 ARG 27 -16.567 9.131 -8.692
164 HD2 ARG 27 HD2 ARG 27 -15.175 8.371 -10.477
165 HD3 ARG 27 HD1 ARG 27 -14.436 7.144 -9.447
166 HE ARG 27 HE ARG 27 -17.243 6.823 -9.634
167 HH11 ARG 27 HH11 ARG 27 -14.310 6.378 -11.553
168 HH12 ARG 27 HH12 ARG 27 -14.823 4.932 -12.280
169 HH21 ARG 27 HH21 ARG 27 -17.989 4.889 -10.662
170 HH22 ARG 27 HH22 ARG 27 -16.970 4.056 -11.777
171 H GLY 28 H GLY 28 -17.397 10.327 -6.139
172 HA2 GLY 28 HA2 GLY 28 -18.807 8.894 -4.976
173 HA3 GLY 28 HA1 GLY 28 -17.420 7.903 -4.559
174 H THR 29 H THR 29 -16.726 11.092 -3.853
175 HA THR 29 HA THR 29 -17.151 10.528 -1.053
176 HB THR 29 HB THR 29 -15.619 12.762 -2.404
177 HG1 THR 29 HG1 THR 29 -15.067 10.138 -1.640
178 HG21 THR 29 HG21 THR 29 -16.280 13.279 -0.087
179 HG22 THR 29 HG22 THR 29 -14.540 13.003 -0.194
180 HG23 THR 29 HG23 THR 29 -15.599 11.747 0.455
181 H ASN 30 H ASN 30 -19.181 10.971 -0.521
182 HA ASN 30 HA ASN 30 -20.367 13.477 -1.435
183 HB2 ASN 30 HB2 ASN 30 -21.690 10.983 -0.307
184 HB3 ASN 30 HB1 ASN 30 -22.538 12.441 -0.799
185 HD21 ASN 30 HD21 ASN 30 -22.689 9.664 -1.769
186 HD22 ASN 30 HD22 ASN 30 -22.406 9.743 -3.465
187 HA PRO 31 HA PRO 31 -19.830 15.047 2.689
188 HB2 PRO 31 HB2 PRO 31 -22.256 16.647 2.358
189 HB3 PRO 31 HB1 PRO 31 -20.587 17.178 2.543
190 HG2 PRO 31 HG2 PRO 31 -21.947 17.382 0.217
191 HG3 PRO 31 HG1 PRO 31 -20.191 17.168 0.291
192 HD2 PRO 31 HD2 PRO 31 -22.326 15.189 -0.352
193 HD3 PRO 31 HD1 PRO 31 -20.682 15.349 -1.004
Start of MODEL 17
1 H1 ASP 1 HT1 ASP 1 10.050 12.159 4.451
2 H2 ASP 1 HT2 ASP 1 9.583 12.594 6.037
3 H3 ASP 1 HT3 ASP 1 8.855 13.317 4.678
4 HA ASP 1 HA ASP 1 8.688 10.456 5.266
5 HB2 ASP 1 HB2 ASP 1 7.429 11.639 6.968
6 HB3 ASP 1 HB1 ASP 1 6.686 12.672 5.751
7 H VAL 2 H VAL 2 8.295 9.368 3.514
8 HA VAL 2 HA VAL 2 7.197 10.817 1.260
9 HB VAL 2 HB VAL 2 9.289 9.706 0.720
10 HG11 VAL 2 HG11 VAL 2 9.319 7.984 2.426
11 HG12 VAL 2 HG12 VAL 2 9.616 7.294 0.832
12 HG13 VAL 2 3HG1 VAL 2 8.034 7.112 1.592
13 HG21 VAL 2 HG21 VAL 2 8.602 8.287 -1.170
14 HG22 VAL 2 HG22 VAL 2 7.633 9.758 -1.054
15 HG23 VAL 2 HG23 VAL 2 6.969 8.219 -0.507
16 H SER 3 H SER 3 5.100 10.808 1.297
17 HA SER 3 HA SER 3 3.765 8.237 1.481
18 HB2 SER 3 HB2 SER 3 2.884 10.797 2.824
19 HB3 SER 3 HB1 SER 3 1.871 9.365 2.664
20 HG SER 3 HG SER 3 4.079 9.837 4.307
21 HA PRO 4 HA PRO 4 2.124 10.256 -2.282
22 HB2 PRO 4 HB2 PRO 4 2.691 7.887 -3.750
23 HB3 PRO 4 HB1 PRO 4 3.584 9.408 -3.832
24 HG2 PRO 4 HG2 PRO 4 4.600 7.005 -2.869
25 HG3 PRO 4 HG1 PRO 4 5.265 8.608 -2.515
26 HD2 PRO 4 HD2 PRO 4 3.429 6.911 -0.882
27 HD3 PRO 4 HD1 PRO 4 4.800 7.917 -0.351
28 H CYS 5 H CYS 5 0.595 8.890 -3.945
29 HA CYS 5 HA CYS 5 -1.282 7.478 -2.196
30 HB2 CYS 5 HB2 CYS 5 -2.098 9.506 -3.480
31 HB3 CYS 5 HB1 CYS 5 -1.658 8.577 -4.926
32 H PHE 6 H PHE 6 -0.916 5.358 -2.331
33 HA PHE 6 HA PHE 6 -0.499 4.295 -5.028
34 HB2 PHE 6 HB2 PHE 6 1.528 4.312 -3.399
35 HB3 PHE 6 HB1 PHE 6 0.665 3.020 -2.567
36 HD1 PHE 6 HD1 PHE 6 0.580 0.816 -3.483
37 HD2 PHE 6 HD2 PHE 6 2.222 4.044 -5.690
38 HE1 PHE 6 HE1 PHE 6 1.474 -0.774 -5.136
39 HE2 PHE 6 HE2 PHE 6 3.110 2.522 -7.326
40 HZ PHE 6 HZ PHE 6 2.752 0.064 -7.076
41 H CYS 7 H CYS 7 -1.993 2.779 -5.533
42 HA CYS 7 HA CYS 7 -3.529 1.707 -3.295
43 HB2 CYS 7 HB2 CYS 7 -4.422 2.011 -6.144
44 HB3 CYS 7 HB1 CYS 7 -5.375 1.360 -4.833
45 H VAL 8 H VAL 8 -3.917 -0.388 -3.178
46 HA VAL 8 HA VAL 8 -2.517 -2.123 -5.094
47 HB VAL 8 HB VAL 8 -2.565 -2.653 -2.147
48 HG11 VAL 8 HG11 VAL 8 -0.850 -3.785 -4.325
49 HG12 VAL 8 HG12 VAL 8 -2.180 -4.580 -3.483
50 HG13 VAL 8 3HG1 VAL 8 -0.700 -4.174 -2.611
51 HG21 VAL 8 HG21 VAL 8 -1.313 -0.576 -2.364
52 HG22 VAL 8 HG22 VAL 8 -0.305 -1.293 -3.620
53 HG23 VAL 8 HG23 VAL 8 -0.212 -1.897 -1.966
54 H GLU 9 H GLU 9 -3.579 -3.962 -5.459
55 HA GLU 9 HA GLU 9 -6.317 -4.246 -4.476
56 HB2 GLU 9 HB2 GLU 9 -5.640 -4.591 -6.894
57 HB3 GLU 9 HB1 GLU 9 -4.670 -5.960 -6.380
58 HG2 GLU 9 HG2 GLU 9 -6.754 -6.692 -7.332
59 HG3 GLU 9 HG1 GLU 9 -6.689 -7.087 -5.614
60 H ASP 10 H ASP 10 -6.343 -5.100 -2.452
61 HA ASP 10 HA ASP 10 -4.098 -6.760 -1.692
62 HB2 ASP 10 HB2 ASP 10 -4.429 -4.874 -0.225
63 HB3 ASP 10 HB1 ASP 10 -6.110 -5.346 0.038
64 H GLU 11 H GLU 11 -4.202 -8.710 -1.470
65 HA GLU 11 HA GLU 11 -6.675 -10.147 -1.802
66 HB2 GLU 11 HB2 GLU 11 -3.849 -11.119 -1.455
67 HB3 GLU 11 HB1 GLU 11 -5.229 -12.121 -1.877
68 HG2 GLU 11 HG2 GLU 11 -5.534 -10.909 -3.946
69 HG3 GLU 11 HG1 GLU 11 -4.246 -9.795 -3.511
70 H THR 12 H THR 12 -4.899 -9.009 0.828
71 HA THR 12 HA THR 12 -5.488 -11.076 2.710
72 HB THR 12 HB THR 12 -4.917 -8.165 3.325
73 HG1 THR 12 HG1 THR 12 -3.247 -8.596 2.124
74 HG21 THR 12 HG21 THR 12 -4.276 -10.724 4.819
75 HG22 THR 12 HG22 THR 12 -5.564 -9.594 5.228
76 HG23 THR 12 HG23 THR 12 -3.880 -9.090 5.357
77 H SER 13 H SER 13 -6.777 -7.791 2.143
78 HA SER 13 HA SER 13 -9.080 -8.266 3.786
79 HB2 SER 13 HB2 SER 13 -7.956 -6.044 3.583
80 HB3 SER 13 HB1 SER 13 -8.450 -6.018 1.892
81 HG SER 13 HG SER 13 -10.422 -6.388 3.843
82 H GLY 14 H GLY 14 -8.239 -8.609 0.434
83 HA2 GLY 14 HA2 GLY 14 -9.446 -9.707 -1.222
84 HA3 GLY 14 HA1 GLY 14 -10.844 -9.743 -0.148
85 H ALA 15 H ALA 15 -9.134 -6.811 -0.585
86 HA ALA 15 HA ALA 15 -10.875 -5.753 -2.589
87 HB1 ALA 15 HB1 ALA 15 -10.994 -4.748 0.262
88 HB2 ALA 15 HB2 ALA 15 -12.297 -5.564 -0.602
89 HB3 ALA 15 HB3 ALA 15 -11.750 -3.971 -1.128
90 H LYS 16 H LYS 16 -10.071 -3.768 -3.318
91 HA LYS 16 HA LYS 16 -7.319 -3.306 -2.995
92 HB2 LYS 16 HB2 LYS 16 -8.521 -2.834 -5.072
93 HB3 LYS 16 HB1 LYS 16 -9.477 -1.606 -4.255
94 HG2 LYS 16 HG2 LYS 16 -7.428 -0.312 -3.839
95 HG3 LYS 16 HG1 LYS 16 -6.499 -1.531 -4.704
96 HD2 LYS 16 HD2 LYS 16 -8.710 0.164 -5.852
97 HD3 LYS 16 HD1 LYS 16 -6.982 0.405 -6.106
98 HE2 LYS 16 HE2 LYS 16 -6.896 -1.882 -7.128
99 HE3 LYS 16 HE1 LYS 16 -8.650 -1.939 -6.996
100 HZ1 LYS 16 HZ1 LYS 16 -7.091 0.045 -8.523
101 HZ2 LYS 16 HZ2 LYS 16 -8.759 0.055 -8.401
102 HZ3 LYS 16 HZ3 LYS 16 -7.976 -1.209 -9.196
103 H THR 17 H THR 17 -6.277 -1.861 -1.796
104 HA THR 17 HA THR 17 -7.773 0.109 -0.299
105 HB THR 17 HB THR 17 -7.390 -1.777 1.233
106 HG1 THR 17 HG1 THR 17 -7.238 0.221 2.210
107 HG21 THR 17 HG21 THR 17 -4.448 -1.428 0.625
108 HG22 THR 17 HG22 THR 17 -5.450 -2.796 0.147
109 HG23 THR 17 HG23 THR 17 -5.120 -2.503 1.854
110 H CYS 18 H CYS 18 -6.468 1.980 0.110
111 HA CYS 18 HA CYS 18 -4.075 1.991 -1.549
112 HB2 CYS 18 HB2 CYS 18 -5.765 4.399 -0.876
113 HB3 CYS 18 HB1 CYS 18 -4.417 4.327 -1.978
114 H VAL 19 H VAL 19 -2.470 3.468 -0.885
115 HA VAL 19 HA VAL 19 -2.296 3.780 2.021
116 HB VAL 19 HB VAL 19 -0.027 3.066 0.119
117 HG11 VAL 19 HG11 VAL 19 1.321 2.728 2.114
118 HG12 VAL 19 HG12 VAL 19 -0.051 3.160 3.124
119 HG13 VAL 19 3HG1 VAL 19 0.679 4.375 2.074
120 HG21 VAL 19 HG21 VAL 19 -0.005 0.849 1.184
121 HG22 VAL 19 HG22 VAL 19 -1.539 1.162 0.373
122 HG23 VAL 19 HG23 VAL 19 -1.427 1.294 2.127
123 HA PRO 20 HA PRO 20 -2.286 5.260 3.330
124 HB2 PRO 20 HB2 PRO 20 -3.504 7.558 3.984
125 HB3 PRO 20 HB1 PRO 20 -1.762 7.341 4.175
126 HG2 PRO 20 HG2 PRO 20 -3.273 8.708 1.985
127 HG3 PRO 20 HG1 PRO 20 -1.801 9.233 2.819
128 HD2 PRO 20 HD2 PRO 20 -1.745 8.044 0.373
129 HD3 PRO 20 HD1 PRO 20 -0.444 7.873 1.562
130 H ASP 21 H ASP 21 -4.416 5.100 4.167
131 HA ASP 21 HA ASP 21 -6.261 4.126 2.327
132 HB2 ASP 21 HB2 ASP 21 -6.297 3.387 4.649
133 HB3 ASP 21 HB1 ASP 21 -6.723 5.017 5.163
134 H ASN 22 H ASN 22 -7.593 5.018 1.084
135 HA ASN 22 HA ASN 22 -8.853 6.392 -0.023
136 HB2 ASN 22 HB2 ASN 22 -9.361 7.620 2.684
137 HB3 ASN 22 HB1 ASN 22 -10.149 8.099 1.180
138 HD21 ASN 22 HD21 ASN 22 -10.350 5.378 0.089
139 HD22 ASN 22 HD22 ASN 22 -11.568 4.615 1.022
140 H CYS 23 H CYS 23 -6.008 6.996 0.066
141 HA CYS 23 HA CYS 23 -5.806 9.818 -0.212
142 HB2 CYS 23 HB2 CYS 23 -3.760 9.369 -1.566
143 HB3 CYS 23 HB1 CYS 23 -3.767 8.409 -0.092
144 H ASP 24 H ASP 24 -6.908 7.273 -2.089
145 HA ASP 24 HA ASP 24 -7.757 8.960 -4.314
146 HB2 ASP 24 HB2 ASP 24 -6.685 6.823 -4.944
147 HB3 ASP 24 HB1 ASP 24 -7.798 5.941 -3.913
148 H ALA 25 H ALA 25 -9.112 10.017 -2.868
149 HA ALA 25 HA ALA 25 -11.392 8.514 -1.786
150 HB1 ALA 25 HB1 ALA 25 -10.609 11.387 -1.311
151 HB2 ALA 25 HB2 ALA 25 -10.221 10.031 -0.254
152 HB3 ALA 25 HB3 ALA 25 -11.901 10.516 -0.488
153 H SER 26 H SER 26 -10.563 10.401 -4.373
154 HA SER 26 HA SER 26 -13.345 10.680 -5.134
155 HB2 SER 26 HB2 SER 26 -12.776 12.977 -6.043
156 HB3 SER 26 HB1 SER 26 -12.826 12.854 -4.285
157 HG SER 26 HG SER 26 -10.681 13.276 -5.999
158 H ARG 27 H ARG 27 -13.645 10.736 -7.380
159 HA ARG 27 HA ARG 27 -11.757 9.185 -8.862
160 HB2 ARG 27 HB2 ARG 27 -14.172 8.852 -9.055
161 HB3 ARG 27 HB1 ARG 27 -14.367 10.501 -9.606
162 HG2 ARG 27 HG2 ARG 27 -13.140 9.961 -11.641
163 HG3 ARG 27 HG1 ARG 27 -12.934 8.302 -11.062
164 HD2 ARG 27 HD2 ARG 27 -14.821 8.534 -12.637
165 HD3 ARG 27 HD1 ARG 27 -15.313 7.955 -11.044
166 HE ARG 27 HE ARG 27 -15.529 10.802 -11.740
167 HH11 ARG 27 HH11 ARG 27 -17.140 7.772 -10.785
168 HH12 ARG 27 HH12 ARG 27 -18.618 8.521 -10.400
169 HH21 ARG 27 HH21 ARG 27 -17.560 11.795 -11.216
170 HH22 ARG 27 HH22 ARG 27 -18.876 10.858 -10.684
171 H GLY 28 H GLY 28 -9.911 10.334 -9.328
172 HA2 GLY 28 HA2 GLY 28 -10.312 12.928 -10.659
173 HA3 GLY 28 HA1 GLY 28 -8.899 12.520 -9.692
174 H THR 29 H THR 29 -8.908 13.441 -12.404
175 HA THR 29 HA THR 29 -8.255 11.087 -13.919
176 HB THR 29 HB THR 29 -8.133 13.994 -14.771
177 HG1 THR 29 HG1 THR 29 -10.186 12.277 -14.326
178 HG21 THR 29 HG21 THR 29 -8.244 11.422 -16.379
179 HG22 THR 29 HG22 THR 29 -6.820 12.443 -16.188
180 HG23 THR 29 HG23 THR 29 -8.233 13.054 -17.050
181 H ASN 30 H ASN 30 -6.552 10.536 -12.471
182 HA ASN 30 HA ASN 30 -4.041 11.420 -13.465
183 HB2 ASN 30 HB2 ASN 30 -3.030 12.017 -11.310
184 HB3 ASN 30 HB1 ASN 30 -4.423 13.049 -11.578
185 HD21 ASN 30 HD21 ASN 30 -6.189 12.854 -10.214
186 HD22 ASN 30 HD22 ASN 30 -6.128 11.954 -8.736
187 HA PRO 31 HA PRO 31 -3.536 7.125 -12.391
188 HB2 PRO 31 HB2 PRO 31 -0.650 7.337 -12.516
189 HB3 PRO 31 HB1 PRO 31 -1.739 6.638 -13.716
190 HG2 PRO 31 HG2 PRO 31 -0.324 8.922 -14.155
191 HG3 PRO 31 HG1 PRO 31 -1.899 8.604 -14.900
192 HD2 PRO 31 HD2 PRO 31 -1.259 10.242 -12.469
193 HD3 PRO 31 HD1 PRO 31 -2.323 10.631 -13.844
Start of MODEL 18
1 H1 ASP 1 HT1 ASP 1 4.477 17.851 1.490
2 H2 ASP 1 HT2 ASP 1 5.910 18.574 0.946
3 H3 ASP 1 HT3 ASP 1 5.936 17.059 1.701
4 HA ASP 1 HA ASP 1 4.585 17.602 -0.850
5 HB2 ASP 1 HB2 ASP 1 6.998 17.726 -1.171
6 HB3 ASP 1 HB1 ASP 1 7.226 16.242 -0.256
7 H VAL 2 H VAL 2 3.008 16.195 -1.160
8 HA VAL 2 HA VAL 2 2.929 13.834 0.500
9 HB VAL 2 HB VAL 2 0.888 15.231 0.252
10 HG11 VAL 2 HG11 VAL 2 1.104 15.918 -2.065
11 HG12 VAL 2 HG12 VAL 2 -0.458 15.156 -1.783
12 HG13 VAL 2 3HG1 VAL 2 0.824 14.260 -2.596
13 HG21 VAL 2 HG21 VAL 2 0.597 12.405 -0.760
14 HG22 VAL 2 HG22 VAL 2 -0.715 13.386 -0.108
15 HG23 VAL 2 HG23 VAL 2 0.632 12.917 0.926
16 H SER 3 H SER 3 3.083 11.804 -0.195
17 HA SER 3 HA SER 3 4.288 11.301 -2.734
18 HB2 SER 3 HB2 SER 3 5.057 10.126 -0.716
19 HB3 SER 3 HB1 SER 3 3.441 9.480 -0.461
20 HG SER 3 HG SER 3 4.001 7.919 -1.621
21 HA PRO 4 HA PRO 4 0.478 10.397 -4.943
22 HB2 PRO 4 HB2 PRO 4 2.160 8.315 -6.253
23 HB3 PRO 4 HB1 PRO 4 1.157 9.577 -6.981
24 HG2 PRO 4 HG2 PRO 4 3.797 9.809 -6.953
25 HG3 PRO 4 HG1 PRO 4 2.757 11.216 -6.666
26 HD2 PRO 4 HD2 PRO 4 4.309 9.580 -4.706
27 HD3 PRO 4 HD1 PRO 4 4.026 11.333 -4.758
28 H CYS 5 H CYS 5 -1.099 9.075 -4.425
29 HA CYS 5 HA CYS 5 -0.862 7.287 -2.332
30 HB2 CYS 5 HB2 CYS 5 -2.884 8.533 -2.797
31 HB3 CYS 5 HB1 CYS 5 -3.093 7.644 -4.302
32 H PHE 6 H PHE 6 -0.312 5.303 -2.225
33 HA PHE 6 HA PHE 6 0.044 3.687 -4.603
34 HB2 PHE 6 HB2 PHE 6 0.790 3.370 -1.724
35 HB3 PHE 6 HB1 PHE 6 0.801 1.985 -2.807
36 HD1 PHE 6 HD1 PHE 6 2.331 1.825 -4.565
37 HD2 PHE 6 HD2 PHE 6 2.404 5.149 -1.949
38 HE1 PHE 6 HE1 PHE 6 4.521 2.350 -5.379
39 HE2 PHE 6 HE2 PHE 6 4.645 5.742 -2.746
40 HZ PHE 6 HZ PHE 6 5.740 4.352 -4.481
41 H CYS 7 H CYS 7 -1.712 2.664 -5.345
42 HA CYS 7 HA CYS 7 -3.282 1.280 -3.306
43 HB2 CYS 7 HB2 CYS 7 -4.282 2.158 -5.974
44 HB3 CYS 7 HB1 CYS 7 -5.204 1.370 -4.728
45 H VAL 8 H VAL 8 -3.374 -0.714 -3.512
46 HA VAL 8 HA VAL 8 -2.840 -2.109 -6.009
47 HB VAL 8 HB VAL 8 -1.296 -2.766 -3.457
48 HG11 VAL 8 HG11 VAL 8 -0.069 -4.429 -4.788
49 HG12 VAL 8 HG12 VAL 8 -1.104 -4.066 -6.169
50 HG13 VAL 8 3HG1 VAL 8 -1.796 -4.781 -4.714
51 HG21 VAL 8 HG21 VAL 8 0.763 -2.170 -4.665
52 HG22 VAL 8 HG22 VAL 8 -0.327 -0.792 -4.504
53 HG23 VAL 8 HG23 VAL 8 -0.209 -1.649 -6.041
54 H GLU 9 H GLU 9 -3.677 -4.223 -5.912
55 HA GLU 9 HA GLU 9 -6.052 -4.398 -4.279
56 HB2 GLU 9 HB2 GLU 9 -5.957 -5.069 -6.683
57 HB3 GLU 9 HB1 GLU 9 -4.948 -6.427 -6.196
58 HG2 GLU 9 HG2 GLU 9 -6.720 -7.337 -4.868
59 HG3 GLU 9 HG1 GLU 9 -7.728 -5.924 -5.180
60 H ASP 10 H ASP 10 -6.056 -5.203 -2.302
61 HA ASP 10 HA ASP 10 -3.921 -7.074 -1.589
62 HB2 ASP 10 HB2 ASP 10 -4.083 -5.003 -0.211
63 HB3 ASP 10 HB1 ASP 10 -5.722 -5.466 0.235
64 H GLU 11 H GLU 11 -4.529 -9.063 -1.750
65 HA GLU 11 HA GLU 11 -7.223 -9.869 -1.959
66 HB2 GLU 11 HB2 GLU 11 -5.302 -10.954 -3.076
67 HB3 GLU 11 HB1 GLU 11 -4.781 -11.575 -1.523
68 HG2 GLU 11 HG2 GLU 11 -6.877 -12.824 -1.313
69 HG3 GLU 11 HG1 GLU 11 -7.378 -12.232 -2.893
70 H THR 12 H THR 12 -5.203 -9.435 0.785
71 HA THR 12 HA THR 12 -6.531 -11.407 2.415
72 HB THR 12 HB THR 12 -4.737 -9.103 3.241
73 HG1 THR 12 HG1 THR 12 -3.590 -10.458 1.899
74 HG21 THR 12 HG21 THR 12 -5.465 -11.659 4.701
75 HG22 THR 12 HG22 THR 12 -6.048 -10.046 5.111
76 HG23 THR 12 HG23 THR 12 -4.335 -10.433 5.276
77 H SER 13 H SER 13 -6.622 -7.948 1.925
78 HA SER 13 HA SER 13 -8.717 -7.473 3.818
79 HB2 SER 13 HB2 SER 13 -7.759 -5.734 1.577
80 HB3 SER 13 HB1 SER 13 -8.577 -5.213 3.054
81 HG SER 13 HG SER 13 -5.979 -6.297 2.764
82 H GLY 14 H GLY 14 -8.464 -8.331 0.482
83 HA2 GLY 14 HA2 GLY 14 -10.089 -9.057 -0.975
84 HA3 GLY 14 HA1 GLY 14 -11.296 -8.760 0.275
85 H ALA 15 H ALA 15 -8.989 -6.384 -0.733
86 HA ALA 15 HA ALA 15 -10.708 -5.037 -2.562
87 HB1 ALA 15 HB1 ALA 15 -11.064 -3.024 -1.202
88 HB2 ALA 15 HB2 ALA 15 -10.321 -3.826 0.181
89 HB3 ALA 15 HB3 ALA 15 -11.842 -4.431 -0.475
90 H LYS 16 H LYS 16 -9.706 -3.113 -3.359
91 HA LYS 16 HA LYS 16 -6.847 -3.137 -3.334
92 HB2 LYS 16 HB2 LYS 16 -8.245 -2.696 -5.364
93 HB3 LYS 16 HB1 LYS 16 -8.846 -1.251 -4.581
94 HG2 LYS 16 HG2 LYS 16 -6.648 -0.258 -4.660
95 HG3 LYS 16 HG1 LYS 16 -5.979 -1.739 -5.353
96 HD2 LYS 16 HD2 LYS 16 -7.441 -1.517 -7.297
97 HD3 LYS 16 HD1 LYS 16 -8.148 -0.057 -6.614
98 HE2 LYS 16 HE2 LYS 16 -6.009 1.071 -6.767
99 HE3 LYS 16 HE1 LYS 16 -5.249 -0.396 -7.377
100 HZ1 LYS 16 HZ1 LYS 16 -5.811 1.177 -9.152
101 HZ2 LYS 16 HZ2 LYS 16 -7.439 1.085 -8.736
102 HZ3 LYS 16 HZ3 LYS 16 -6.644 -0.277 -9.325
103 H THR 17 H THR 17 -5.749 -2.375 -1.816
104 HA THR 17 HA THR 17 -6.945 -0.413 -0.051
105 HB THR 17 HB THR 17 -5.984 -2.533 0.919
106 HG1 THR 17 HG1 THR 17 -5.743 -1.340 2.569
107 HG21 THR 17 HG21 THR 17 -3.540 -2.786 1.069
108 HG22 THR 17 HG22 THR 17 -3.330 -1.363 0.049
109 HG23 THR 17 HG23 THR 17 -4.075 -2.817 -0.613
110 H CYS 18 H CYS 18 -5.750 1.456 0.512
111 HA CYS 18 HA CYS 18 -3.692 2.144 -1.436
112 HB2 CYS 18 HB2 CYS 18 -5.839 3.981 -0.440
113 HB3 CYS 18 HB1 CYS 18 -4.524 4.402 -1.492
114 H VAL 19 H VAL 19 -2.400 3.834 -0.791
115 HA VAL 19 HA VAL 19 -2.193 4.353 2.083
116 HB VAL 19 HB VAL 19 0.208 3.894 0.280
117 HG11 VAL 19 HG11 VAL 19 1.478 3.897 2.383
118 HG12 VAL 19 HG12 VAL 19 -0.004 4.278 3.257
119 HG13 VAL 19 3HG1 VAL 19 0.649 5.424 2.084
120 HG21 VAL 19 HG21 VAL 19 0.608 1.802 1.514
121 HG22 VAL 19 HG22 VAL 19 -0.918 1.752 0.628
122 HG23 VAL 19 HG23 VAL 19 -0.918 2.028 2.370
123 HA PRO 20 HA PRO 20 -2.333 5.993 3.307
124 HB2 PRO 20 HB2 PRO 20 -4.067 8.026 3.581
125 HB3 PRO 20 HB1 PRO 20 -2.329 8.215 3.841
126 HG2 PRO 20 HG2 PRO 20 -3.987 8.895 1.447
127 HG3 PRO 20 HG1 PRO 20 -2.700 9.844 2.195
128 HD2 PRO 20 HD2 PRO 20 -2.292 8.373 -0.029
129 HD3 PRO 20 HD1 PRO 20 -1.026 8.596 1.194
130 H ASP 21 H ASP 21 -4.376 5.432 4.254
131 HA ASP 21 HA ASP 21 -5.947 3.829 2.577
132 HB2 ASP 21 HB2 ASP 21 -5.714 3.391 4.988
133 HB3 ASP 21 HB1 ASP 21 -6.651 4.840 5.335
134 H ASN 22 H ASN 22 -7.590 4.223 1.342
135 HA ASN 22 HA ASN 22 -8.971 5.367 0.043
136 HB2 ASN 22 HB2 ASN 22 -10.033 6.098 2.770
137 HB3 ASN 22 HB1 ASN 22 -10.819 6.544 1.260
138 HD21 ASN 22 HD21 ASN 22 -10.030 3.887 3.413
139 HD22 ASN 22 HD22 ASN 22 -11.085 2.764 2.663
140 H CYS 23 H CYS 23 -6.641 6.622 0.032
141 HA CYS 23 HA CYS 23 -6.394 9.271 0.583
142 HB2 CYS 23 HB2 CYS 23 -5.025 9.315 -1.552
143 HB3 CYS 23 HB1 CYS 23 -4.581 8.093 -0.357
144 H ASP 24 H ASP 24 -7.952 7.908 -2.138
145 HA ASP 24 HA ASP 24 -8.876 10.535 -2.953
146 HB2 ASP 24 HB2 ASP 24 -8.951 7.885 -4.381
147 HB3 ASP 24 HB1 ASP 24 -9.927 9.241 -4.924
148 H ALA 25 H ALA 25 -10.029 10.686 -1.094
149 HA ALA 25 HA ALA 25 -12.703 9.467 -1.300
150 HB1 ALA 25 HB1 ALA 25 -13.044 10.127 1.049
151 HB2 ALA 25 HB2 ALA 25 -11.427 10.833 1.081
152 HB3 ALA 25 HB3 ALA 25 -11.626 9.097 0.867
153 H SER 26 H SER 26 -10.910 12.251 -1.569
154 HA SER 26 HA SER 26 -13.279 13.843 -2.216
155 HB2 SER 26 HB2 SER 26 -10.648 14.798 -1.045
156 HB3 SER 26 HB1 SER 26 -12.035 15.810 -1.454
157 HG SER 26 HG SER 26 -13.198 14.877 0.124
158 H ARG 27 H ARG 27 -13.127 14.862 -4.202
159 HA ARG 27 HA ARG 27 -12.503 15.268 -6.326
160 HB2 ARG 27 HB2 ARG 27 -9.702 15.067 -5.198
161 HB3 ARG 27 HB1 ARG 27 -10.065 15.609 -6.838
162 HG2 ARG 27 HG2 ARG 27 -11.288 17.497 -5.937
163 HG3 ARG 27 HG1 ARG 27 -10.989 16.925 -4.297
164 HD2 ARG 27 HD2 ARG 27 -8.569 17.175 -4.688
165 HD3 ARG 27 HD1 ARG 27 -8.914 17.814 -6.295
166 HE ARG 27 HE ARG 27 -10.381 19.364 -4.629
167 HH11 ARG 27 HH11 ARG 27 -6.915 18.603 -4.892
168 HH12 ARG 27 HH12 ARG 27 -6.410 20.051 -4.181
169 HH21 ARG 27 HH21 ARG 27 -9.650 21.385 -3.650
170 HH22 ARG 27 HH22 ARG 27 -7.992 21.669 -3.472
171 H GLY 28 H GLY 28 -12.774 12.619 -5.131
172 HA2 GLY 28 HA2 GLY 28 -12.438 11.057 -7.437
173 HA3 GLY 28 HA1 GLY 28 -11.240 10.631 -6.206
174 H THR 29 H THR 29 -13.878 9.409 -7.258
175 HA THR 29 HA THR 29 -15.273 9.314 -4.730
176 HB THR 29 HB THR 29 -17.047 8.126 -6.173
177 HG1 THR 29 HG1 THR 29 -15.302 8.008 -7.930
178 HG21 THR 29 HG21 THR 29 -17.908 10.284 -6.991
179 HG22 THR 29 HG22 THR 29 -16.328 11.017 -6.713
180 HG23 THR 29 HG23 THR 29 -17.281 10.430 -5.351
181 H ASN 30 H ASN 30 -14.785 7.725 -3.433
182 HA ASN 30 HA ASN 30 -14.530 5.051 -4.475
183 HB2 ASN 30 HB2 ASN 30 -12.278 6.401 -3.009
184 HB3 ASN 30 HB1 ASN 30 -12.529 4.675 -2.781
185 HD21 ASN 30 HD21 ASN 30 -10.431 6.360 -4.087
186 HD22 ASN 30 HD22 ASN 30 -10.222 5.681 -5.659
187 HA PRO 31 HA PRO 31 -15.751 4.405 -0.031
188 HB2 PRO 31 HB2 PRO 31 -15.466 6.582 1.760
189 HB3 PRO 31 HB1 PRO 31 -14.396 5.188 1.620
190 HG2 PRO 31 HG2 PRO 31 -13.712 7.824 0.994
191 HG3 PRO 31 HG1 PRO 31 -12.834 6.376 0.476
192 HD2 PRO 31 HD2 PRO 31 -14.848 8.008 -1.009
193 HD3 PRO 31 HD1 PRO 31 -13.363 7.241 -1.609
Start of MODEL 19
1 H1 ASP 1 HT1 ASP 1 0.865 12.618 7.912
2 H2 ASP 1 HT2 ASP 1 -0.291 12.187 6.726
3 H3 ASP 1 HT3 ASP 1 0.465 13.663 6.647
4 HA ASP 1 HA ASP 1 2.535 12.723 6.144
5 HB2 ASP 1 HB2 ASP 1 2.337 10.651 7.442
6 HB3 ASP 1 HB1 ASP 1 1.072 10.080 6.358
7 H VAL 2 H VAL 2 2.471 13.622 4.192
8 HA VAL 2 HA VAL 2 0.468 12.597 2.383
9 HB VAL 2 HB VAL 2 0.324 15.005 2.646
10 HG11 VAL 2 HG11 VAL 2 2.079 16.553 1.905
11 HG12 VAL 2 HG12 VAL 2 3.163 15.182 1.672
12 HG13 VAL 2 3HG1 VAL 2 2.572 15.572 3.286
13 HG21 VAL 2 HG21 VAL 2 0.452 15.727 0.291
14 HG22 VAL 2 HG22 VAL 2 -0.283 14.134 0.466
15 HG23 VAL 2 HG23 VAL 2 1.386 14.278 -0.083
16 H SER 3 H SER 3 1.448 10.733 1.925
17 HA SER 3 HA SER 3 3.855 10.877 0.284
18 HB2 SER 3 HB2 SER 3 2.368 8.495 1.433
19 HB3 SER 3 HB1 SER 3 3.845 8.393 0.478
20 HG SER 3 HG SER 3 3.454 9.278 3.106
21 HA PRO 4 HA PRO 4 1.609 10.420 -3.519
22 HB2 PRO 4 HB2 PRO 4 3.274 8.038 -4.148
23 HB3 PRO 4 HB1 PRO 4 3.032 9.510 -5.102
24 HG2 PRO 4 HG2 PRO 4 5.314 9.151 -3.833
25 HG3 PRO 4 HG1 PRO 4 4.525 10.738 -3.790
26 HD2 PRO 4 HD2 PRO 4 4.539 8.592 -1.701
27 HD3 PRO 4 HD1 PRO 4 4.787 10.341 -1.515
28 H CYS 5 H CYS 5 -0.095 9.322 -4.330
29 HA CYS 5 HA CYS 5 -1.410 7.526 -2.578
30 HB2 CYS 5 HB2 CYS 5 -2.515 9.256 -4.080
31 HB3 CYS 5 HB1 CYS 5 -2.091 8.151 -5.402
32 H PHE 6 H PHE 6 -1.001 5.417 -2.509
33 HA PHE 6 HA PHE 6 -0.704 4.087 -5.079
34 HB2 PHE 6 HB2 PHE 6 1.494 4.378 -3.740
35 HB3 PHE 6 HB1 PHE 6 0.816 3.165 -2.658
36 HD1 PHE 6 HD1 PHE 6 0.423 0.869 -3.459
37 HD2 PHE 6 HD2 PHE 6 2.224 3.839 -5.900
38 HE1 PHE 6 HE1 PHE 6 1.178 -0.867 -5.003
39 HE2 PHE 6 HE2 PHE 6 2.981 2.142 -7.444
40 HZ PHE 6 HZ PHE 6 2.465 -0.252 -7.007
41 H CYS 7 H CYS 7 -2.141 2.480 -5.274
42 HA CYS 7 HA CYS 7 -3.469 1.595 -2.817
43 HB2 CYS 7 HB2 CYS 7 -4.623 1.592 -5.592
44 HB3 CYS 7 HB1 CYS 7 -5.460 1.193 -4.108
45 H VAL 8 H VAL 8 -3.802 -0.501 -2.510
46 HA VAL 8 HA VAL 8 -2.595 -2.372 -4.437
47 HB VAL 8 HB VAL 8 -2.455 -2.693 -1.453
48 HG11 VAL 8 HG11 VAL 8 -2.309 -4.768 -2.636
49 HG12 VAL 8 HG12 VAL 8 -0.745 -4.392 -1.912
50 HG13 VAL 8 3HG1 VAL 8 -1.002 -4.138 -3.639
51 HG21 VAL 8 HG21 VAL 8 -0.058 -2.099 -1.534
52 HG22 VAL 8 HG22 VAL 8 -1.101 -0.749 -1.989
53 HG23 VAL 8 HG23 VAL 8 -0.246 -1.662 -3.232
54 H GLU 9 H GLU 9 -3.687 -4.214 -4.611
55 HA GLU 9 HA GLU 9 -6.316 -4.388 -3.275
56 HB2 GLU 9 HB2 GLU 9 -6.208 -4.438 -5.805
57 HB3 GLU 9 HB1 GLU 9 -5.278 -5.923 -5.670
58 HG2 GLU 9 HG2 GLU 9 -7.170 -6.975 -4.509
59 HG3 GLU 9 HG1 GLU 9 -8.100 -5.493 -4.722
60 H ASP 10 H ASP 10 -5.998 -5.396 -1.447
61 HA ASP 10 HA ASP 10 -3.943 -7.405 -1.161
62 HB2 ASP 10 HB2 ASP 10 -4.540 -5.927 0.759
63 HB3 ASP 10 HB1 ASP 10 -6.149 -6.639 0.770
64 H GLU 11 H GLU 11 -4.282 -9.269 -2.070
65 HA GLU 11 HA GLU 11 -6.879 -10.182 -2.752
66 HB2 GLU 11 HB2 GLU 11 -4.728 -10.626 -3.983
67 HB3 GLU 11 HB1 GLU 11 -4.370 -11.831 -2.759
68 HG2 GLU 11 HG2 GLU 11 -5.333 -12.921 -4.672
69 HG3 GLU 11 HG1 GLU 11 -6.464 -12.994 -3.320
70 H THR 12 H THR 12 -5.130 -10.445 0.137
71 HA THR 12 HA THR 12 -6.163 -13.004 0.885
72 HB THR 12 HB THR 12 -4.891 -10.863 2.611
73 HG1 THR 12 HG1 THR 12 -3.791 -12.994 1.088
74 HG21 THR 12 HG21 THR 12 -4.278 -12.753 4.064
75 HG22 THR 12 HG22 THR 12 -5.093 -13.868 2.969
76 HG23 THR 12 HG23 THR 12 -6.030 -12.677 3.870
77 H SER 13 H SER 13 -6.821 -9.623 1.770
78 HA SER 13 HA SER 13 -9.265 -10.365 3.138
79 HB2 SER 13 HB2 SER 13 -7.842 -8.526 4.012
80 HB3 SER 13 HB1 SER 13 -8.110 -7.661 2.498
81 HG SER 13 HG SER 13 -10.477 -8.175 3.304
82 H GLY 14 H GLY 14 -8.268 -9.660 0.004
83 HA2 GLY 14 HA2 GLY 14 -9.415 -9.513 -1.964
84 HA3 GLY 14 HA1 GLY 14 -10.890 -9.874 -1.070
85 H ALA 15 H ALA 15 -8.731 -7.239 -0.325
86 HA ALA 15 HA ALA 15 -10.784 -5.395 -1.274
87 HB1 ALA 15 HB1 ALA 15 -11.264 -5.796 1.060
88 HB2 ALA 15 HB2 ALA 15 -10.711 -4.135 0.822
89 HB3 ALA 15 HB3 ALA 15 -9.620 -5.347 1.496
90 H LYS 16 H LYS 16 -10.068 -3.621 -2.149
91 HA LYS 16 HA LYS 16 -7.229 -3.111 -2.384
92 HB2 LYS 16 HB2 LYS 16 -8.838 -3.155 -4.319
93 HB3 LYS 16 HB1 LYS 16 -9.598 -1.726 -3.642
94 HG2 LYS 16 HG2 LYS 16 -7.372 -0.581 -3.836
95 HG3 LYS 16 HG1 LYS 16 -6.807 -1.988 -4.721
96 HD2 LYS 16 HD2 LYS 16 -9.180 -0.303 -5.540
97 HD3 LYS 16 HD1 LYS 16 -7.578 -0.200 -6.264
98 HE2 LYS 16 HE2 LYS 16 -7.767 -2.482 -7.084
99 HE3 LYS 16 HE1 LYS 16 -9.292 -2.691 -6.232
100 HZ1 LYS 16 HZ1 LYS 16 -10.280 -1.011 -7.647
101 HZ2 LYS 16 HZ2 LYS 16 -9.667 -2.235 -8.596
102 HZ3 LYS 16 HZ3 LYS 16 -8.842 -0.777 -8.466
103 H THR 17 H THR 17 -6.237 -1.681 -1.249
104 HA THR 17 HA THR 17 -7.749 0.418 0.109
105 HB THR 17 HB THR 17 -7.274 -1.370 1.759
106 HG1 THR 17 HG1 THR 17 -7.210 0.582 2.721
107 HG21 THR 17 HG21 THR 17 -4.963 -1.940 2.374
108 HG22 THR 17 HG22 THR 17 -4.361 -0.906 1.078
109 HG23 THR 17 HG23 THR 17 -5.292 -2.354 0.691
110 H CYS 18 H CYS 18 -6.435 2.337 0.523
111 HA CYS 18 HA CYS 18 -4.081 2.396 -1.216
112 HB2 CYS 18 HB2 CYS 18 -5.883 4.706 -0.653
113 HB3 CYS 18 HB1 CYS 18 -4.559 4.679 -1.764
114 H VAL 19 H VAL 19 -2.519 3.836 -0.683
115 HA VAL 19 HA VAL 19 -2.414 4.696 2.099
116 HB VAL 19 HB VAL 19 -0.074 3.444 0.608
117 HG11 VAL 19 HG11 VAL 19 -0.353 4.236 3.498
118 HG12 VAL 19 HG12 VAL 19 0.561 5.095 2.263
119 HG13 VAL 19 3HG1 VAL 19 1.063 3.477 2.766
120 HG21 VAL 19 HG21 VAL 19 -0.265 1.508 2.093
121 HG22 VAL 19 HG22 VAL 19 -1.732 1.702 1.131
122 HG23 VAL 19 HG23 VAL 19 -1.714 2.192 2.824
123 HA PRO 20 HA PRO 20 -2.097 6.366 3.161
124 HB2 PRO 20 HB2 PRO 20 -3.102 8.869 3.294
125 HB3 PRO 20 HB1 PRO 20 -1.382 8.530 3.518
126 HG2 PRO 20 HG2 PRO 20 -2.825 9.468 1.078
127 HG3 PRO 20 HG1 PRO 20 -1.319 10.086 1.757
128 HD2 PRO 20 HD2 PRO 20 -1.358 8.387 -0.331
129 HD3 PRO 20 HD1 PRO 20 -0.074 8.329 0.893
130 H ASP 21 H ASP 21 -4.267 6.695 4.060
131 HA ASP 21 HA ASP 21 -6.222 5.444 2.454
132 HB2 ASP 21 HB2 ASP 21 -6.157 5.164 4.892
133 HB3 ASP 21 HB1 ASP 21 -6.562 6.865 5.092
134 H ASN 22 H ASN 22 -7.775 6.185 1.180
135 HA ASN 22 HA ASN 22 -9.050 7.436 -0.016
136 HB2 ASN 22 HB2 ASN 22 -9.069 9.079 2.483
137 HB3 ASN 22 HB1 ASN 22 -9.832 9.634 0.992
138 HD21 ASN 22 HD21 ASN 22 -11.745 8.735 0.348
139 HD22 ASN 22 HD22 ASN 22 -12.591 7.541 1.262
140 H CYS 23 H CYS 23 -6.031 7.868 -0.162
141 HA CYS 23 HA CYS 23 -5.723 10.498 -1.138
142 HB2 CYS 23 HB2 CYS 23 -3.729 9.588 -2.326
143 HB3 CYS 23 HB1 CYS 23 -3.770 9.114 -0.633
144 H ASP 24 H ASP 24 -6.861 7.606 -2.457
145 HA ASP 24 HA ASP 24 -7.507 8.818 -5.029
146 HB2 ASP 24 HB2 ASP 24 -6.287 6.661 -5.161
147 HB3 ASP 24 HB1 ASP 24 -7.534 5.903 -4.180
148 H ALA 25 H ALA 25 -9.116 9.986 -4.115
149 HA ALA 25 HA ALA 25 -11.483 8.408 -3.349
150 HB1 ALA 25 HB1 ALA 25 -10.802 11.170 -2.366
151 HB2 ALA 25 HB2 ALA 25 -10.582 9.673 -1.462
152 HB3 ALA 25 HB3 ALA 25 -12.204 10.208 -1.901
153 H SER 26 H SER 26 -10.308 10.248 -5.795
154 HA SER 26 HA SER 26 -12.752 11.689 -6.348
155 HB2 SER 26 HB2 SER 26 -10.216 11.458 -7.983
156 HB3 SER 26 HB1 SER 26 -11.544 12.580 -8.274
157 HG SER 26 HG SER 26 -10.902 12.897 -5.781
158 H ARG 27 H ARG 27 -14.395 10.759 -7.340
159 HA ARG 27 HA ARG 27 -13.953 8.311 -8.830
160 HB2 ARG 27 HB2 ARG 27 -16.564 9.686 -8.107
161 HB3 ARG 27 HB1 ARG 27 -16.453 8.197 -9.023
162 HG2 ARG 27 HG2 ARG 27 -17.016 7.542 -6.841
163 HG3 ARG 27 HG1 ARG 27 -15.294 7.208 -6.980
164 HD2 ARG 27 HD2 ARG 27 -15.754 8.221 -4.839
165 HD3 ARG 27 HD1 ARG 27 -14.827 9.348 -5.828
166 HE ARG 27 HE ARG 27 -17.613 9.774 -6.103
167 HH11 ARG 27 HH11 ARG 27 -14.871 10.453 -3.977
168 HH12 ARG 27 HH12 ARG 27 -15.625 11.745 -3.173
169 HH21 ARG 27 HH21 ARG 27 -18.655 11.599 -5.003
170 HH22 ARG 27 HH22 ARG 27 -17.811 12.409 -3.762
171 H GLY 28 H GLY 28 -13.070 8.840 -10.709
172 HA2 GLY 28 HA2 GLY 28 -14.729 10.160 -12.644
173 HA3 GLY 28 HA1 GLY 28 -13.252 11.029 -12.238
174 H THR 29 H THR 29 -12.832 10.612 -14.539
175 HA THR 29 HA THR 29 -12.120 7.901 -15.228
176 HB THR 29 HB THR 29 -11.713 10.440 -16.832
177 HG1 THR 29 HG1 THR 29 -13.843 10.459 -16.620
178 HG21 THR 29 HG21 THR 29 -12.075 7.545 -17.666
179 HG22 THR 29 HG22 THR 29 -10.548 8.427 -17.683
180 HG23 THR 29 HG23 THR 29 -11.859 8.911 -18.760
181 H ASN 30 H ASN 30 -10.592 10.834 -14.182
182 HA ASN 30 HA ASN 30 -7.931 9.717 -14.664
183 HB2 ASN 30 HB2 ASN 30 -8.842 12.540 -14.125
184 HB3 ASN 30 HB1 ASN 30 -7.158 12.053 -14.053
185 HD21 ASN 30 HD21 ASN 30 -6.640 13.475 -15.704
186 HD22 ASN 30 HD22 ASN 30 -7.028 13.157 -17.353
187 HA PRO 31 HA PRO 31 -7.732 9.329 -10.199
188 HB2 PRO 31 HB2 PRO 31 -5.783 7.475 -10.137
189 HB3 PRO 31 HB1 PRO 31 -7.434 7.083 -10.631
190 HG2 PRO 31 HG2 PRO 31 -4.994 7.292 -12.272
191 HG3 PRO 31 HG1 PRO 31 -6.494 6.415 -12.600
192 HD2 PRO 31 HD2 PRO 31 -5.685 9.005 -13.586
193 HD3 PRO 31 HD1 PRO 31 -7.163 8.083 -13.943
Start of MODEL 20
1 H1 ASP 1 HT1 ASP 1 1.363 11.406 8.467
2 H2 ASP 1 HT2 ASP 1 1.943 10.150 9.431
3 H3 ASP 1 HT3 ASP 1 0.964 9.817 8.081
4 HA ASP 1 HA ASP 1 3.666 11.009 7.995
5 HB2 ASP 1 HB2 ASP 1 3.601 8.560 8.542
6 HB3 ASP 1 HB1 ASP 1 2.673 8.294 7.071
7 H VAL 2 H VAL 2 4.150 11.933 6.017
8 HA VAL 2 HA VAL 2 1.962 12.167 4.152
9 HB VAL 2 HB VAL 2 4.768 13.342 3.972
10 HG11 VAL 2 HG11 VAL 2 3.807 14.899 2.352
11 HG12 VAL 2 HG12 VAL 2 2.258 14.066 2.477
12 HG13 VAL 2 3HG1 VAL 2 3.659 13.224 1.812
13 HG21 VAL 2 HG21 VAL 2 3.617 14.172 5.955
14 HG22 VAL 2 HG22 VAL 2 2.223 14.622 4.974
15 HG23 VAL 2 HG23 VAL 2 3.765 15.446 4.745
16 H SER 3 H SER 3 1.746 10.203 3.284
17 HA SER 3 HA SER 3 4.063 8.894 2.093
18 HB2 SER 3 HB2 SER 3 1.273 7.838 2.491
19 HB3 SER 3 HB1 SER 3 2.734 6.911 2.150
20 HG SER 3 HG SER 3 3.327 8.228 4.321
21 HA PRO 4 HA PRO 4 2.491 9.969 -2.026
22 HB2 PRO 4 HB2 PRO 4 3.761 7.428 -2.837
23 HB3 PRO 4 HB1 PRO 4 4.062 9.047 -3.463
24 HG2 PRO 4 HG2 PRO 4 5.860 7.835 -1.926
25 HG3 PRO 4 HG1 PRO 4 5.531 9.569 -1.741
26 HD2 PRO 4 HD2 PRO 4 4.585 7.278 -0.053
27 HD3 PRO 4 HD1 PRO 4 5.187 8.877 0.436
28 H CYS 5 H CYS 5 0.641 9.401 -3.027
29 HA CYS 5 HA CYS 5 -1.106 7.498 -1.973
30 HB2 CYS 5 HB2 CYS 5 -1.799 9.521 -3.280
31 HB3 CYS 5 HB1 CYS 5 -1.137 8.702 -4.705
32 H PHE 6 H PHE 6 -0.743 5.392 -2.089
33 HA PHE 6 HA PHE 6 -0.304 4.298 -4.764
34 HB2 PHE 6 HB2 PHE 6 1.792 4.277 -3.265
35 HB3 PHE 6 HB1 PHE 6 0.942 3.058 -2.317
36 HD1 PHE 6 HD1 PHE 6 2.115 3.881 -5.667
37 HD2 PHE 6 HD2 PHE 6 0.936 0.807 -3.007
38 HE1 PHE 6 HE1 PHE 6 2.846 2.252 -7.290
39 HE2 PHE 6 HE2 PHE 6 1.674 -0.885 -4.627
40 HZ PHE 6 HZ PHE 6 2.633 -0.181 -6.785
41 H CYS 7 H CYS 7 -1.691 2.634 -5.229
42 HA CYS 7 HA CYS 7 -3.268 1.566 -2.999
43 HB2 CYS 7 HB2 CYS 7 -4.295 2.259 -5.739
44 HB3 CYS 7 HB1 CYS 7 -5.214 1.490 -4.467
45 H VAL 8 H VAL 8 -3.840 -0.507 -3.147
46 HA VAL 8 HA VAL 8 -3.033 -2.099 -5.472
47 HB VAL 8 HB VAL 8 -2.460 -3.072 -2.679
48 HG11 VAL 8 HG11 VAL 8 -2.608 -4.781 -4.319
49 HG12 VAL 8 HG12 VAL 8 -0.930 -4.636 -3.791
50 HG13 VAL 8 3HG1 VAL 8 -1.426 -3.967 -5.343
51 HG21 VAL 8 HG21 VAL 8 -0.057 -2.564 -2.940
52 HG22 VAL 8 HG22 VAL 8 -1.042 -1.100 -2.902
53 HG23 VAL 8 HG23 VAL 8 -0.419 -1.703 -4.436
54 H GLU 9 H GLU 9 -4.410 -3.951 -5.641
55 HA GLU 9 HA GLU 9 -6.687 -3.924 -3.824
56 HB2 GLU 9 HB2 GLU 9 -6.995 -4.084 -6.352
57 HB3 GLU 9 HB1 GLU 9 -6.276 -5.687 -6.242
58 HG2 GLU 9 HG2 GLU 9 -8.058 -6.388 -4.726
59 HG3 GLU 9 HG1 GLU 9 -8.770 -4.784 -4.827
60 H ASP 10 H ASP 10 -6.323 -4.982 -2.019
61 HA ASP 10 HA ASP 10 -4.287 -7.032 -2.018
62 HB2 ASP 10 HB2 ASP 10 -4.373 -5.210 -0.285
63 HB3 ASP 10 HB1 ASP 10 -5.848 -5.952 0.326
64 H GLU 11 H GLU 11 -4.889 -8.988 -2.442
65 HA GLU 11 HA GLU 11 -7.634 -9.827 -2.359
66 HB2 GLU 11 HB2 GLU 11 -5.932 -10.528 -4.098
67 HB3 GLU 11 HB1 GLU 11 -5.195 -11.535 -2.868
68 HG2 GLU 11 HG2 GLU 11 -6.626 -12.861 -4.318
69 HG3 GLU 11 HG1 GLU 11 -7.260 -12.834 -2.674
70 H THR 12 H THR 12 -5.057 -9.861 -0.122
71 HA THR 12 HA THR 12 -5.941 -12.191 1.296
72 HB THR 12 HB THR 12 -4.064 -9.998 2.208
73 HG1 THR 12 HG1 THR 12 -2.607 -10.860 0.970
74 HG21 THR 12 HG21 THR 12 -3.122 -11.757 3.655
75 HG22 THR 12 HG22 THR 12 -4.310 -12.904 3.036
76 HG23 THR 12 HG23 THR 12 -4.838 -11.523 3.997
77 H SER 13 H SER 13 -6.165 -8.697 1.632
78 HA SER 13 HA SER 13 -7.916 -8.781 3.905
79 HB2 SER 13 HB2 SER 13 -6.347 -6.879 3.402
80 HB3 SER 13 HB1 SER 13 -7.328 -6.549 1.978
81 HG SER 13 HG SER 13 -8.121 -6.375 4.695
82 H GLY 14 H GLY 14 -8.210 -8.597 0.424
83 HA2 GLY 14 HA2 GLY 14 -10.036 -9.373 -0.800
84 HA3 GLY 14 HA1 GLY 14 -11.025 -9.285 0.653
85 H ALA 15 H ALA 15 -8.996 -6.623 -0.128
86 HA ALA 15 HA ALA 15 -11.015 -5.176 -1.546
87 HB1 ALA 15 HB1 ALA 15 -10.372 -4.361 1.288
88 HB2 ALA 15 HB2 ALA 15 -11.909 -5.021 0.726
89 HB3 ALA 15 HB3 ALA 15 -11.358 -3.448 0.146
90 H LYS 16 H LYS 16 -10.263 -3.175 -2.294
91 HA LYS 16 HA LYS 16 -7.484 -2.844 -2.647
92 HB2 LYS 16 HB2 LYS 16 -9.198 -1.979 -4.243
93 HB3 LYS 16 HB1 LYS 16 -9.740 -0.885 -2.978
94 HG2 LYS 16 HG2 LYS 16 -7.624 0.275 -3.024
95 HG3 LYS 16 HG1 LYS 16 -7.032 -0.829 -4.257
96 HD2 LYS 16 HD2 LYS 16 -7.714 1.252 -5.308
97 HD3 LYS 16 HD1 LYS 16 -8.806 -0.034 -5.796
98 HE2 LYS 16 HE2 LYS 16 -9.474 1.867 -3.540
99 HE3 LYS 16 HE1 LYS 16 -9.804 2.259 -5.220
100 HZ1 LYS 16 HZ1 LYS 16 -10.984 -0.065 -3.728
101 HZ2 LYS 16 HZ2 LYS 16 -11.229 0.294 -5.342
102 HZ3 LYS 16 HZ3 LYS 16 -11.762 1.353 -4.170
103 H THR 17 H THR 17 -6.059 -1.586 -1.689
104 HA THR 17 HA THR 17 -6.948 -0.001 0.548
105 HB THR 17 HB THR 17 -6.160 -2.147 1.473
106 HG1 THR 17 HG1 THR 17 -5.699 -0.504 2.810
107 HG21 THR 17 HG21 THR 17 -4.639 -2.839 -0.323
108 HG22 THR 17 HG22 THR 17 -3.805 -2.851 1.231
109 HG23 THR 17 HG23 THR 17 -3.536 -1.529 0.094
110 H CYS 18 H CYS 18 -5.604 1.783 0.876
111 HA CYS 18 HA CYS 18 -3.543 2.250 -1.151
112 HB2 CYS 18 HB2 CYS 18 -5.624 4.258 -0.285
113 HB3 CYS 18 HB1 CYS 18 -4.309 4.541 -1.396
114 H VAL 19 H VAL 19 -2.247 4.144 -0.516
115 HA VAL 19 HA VAL 19 -2.334 4.710 2.307
116 HB VAL 19 HB VAL 19 -0.584 3.015 2.067
117 HG11 VAL 19 HG11 VAL 19 0.765 4.863 0.119
118 HG12 VAL 19 HG12 VAL 19 0.030 3.303 -0.243
119 HG13 VAL 19 3HG1 VAL 19 1.462 3.385 0.785
120 HG21 VAL 19 HG21 VAL 19 0.566 5.747 2.589
121 HG22 VAL 19 HG22 VAL 19 1.310 4.221 3.067
122 HG23 VAL 19 HG23 VAL 19 -0.238 4.701 3.759
123 HA PRO 20 HA PRO 20 -2.761 6.245 3.492
124 HB2 PRO 20 HB2 PRO 20 -4.571 8.268 3.551
125 HB3 PRO 20 HB1 PRO 20 -2.908 8.464 4.112
126 HG2 PRO 20 HG2 PRO 20 -4.137 9.227 1.497
127 HG3 PRO 20 HG1 PRO 20 -3.014 10.154 2.493
128 HD2 PRO 20 HD2 PRO 20 -2.178 8.782 0.319
129 HD3 PRO 20 HD1 PRO 20 -1.159 8.946 1.755
130 H ASP 21 H ASP 21 -5.005 5.696 3.982
131 HA ASP 21 HA ASP 21 -6.149 4.036 2.091
132 HB2 ASP 21 HB2 ASP 21 -6.633 3.748 4.442
133 HB3 ASP 21 HB1 ASP 21 -7.446 5.313 4.479
134 H ASN 22 H ASN 22 -7.397 4.256 0.446
135 HA ASN 22 HA ASN 22 -8.352 5.164 -1.294
136 HB2 ASN 22 HB2 ASN 22 -10.076 6.074 0.961
137 HB3 ASN 22 HB1 ASN 22 -10.414 6.583 -0.695
138 HD21 ASN 22 HD21 ASN 22 -11.142 5.098 -2.177
139 HD22 ASN 22 HD22 ASN 22 -11.613 3.494 -1.735
140 H CYS 23 H CYS 23 -6.040 6.635 -0.524
141 HA CYS 23 HA CYS 23 -6.354 9.369 -0.856
142 HB2 CYS 23 HB2 CYS 23 -4.042 9.330 -1.809
143 HB3 CYS 23 HB1 CYS 23 -4.186 8.384 -0.333
144 H ASP 24 H ASP 24 -6.368 6.817 -3.095
145 HA ASP 24 HA ASP 24 -6.696 8.562 -5.344
146 HB2 ASP 24 HB2 ASP 24 -5.352 6.643 -5.800
147 HB3 ASP 24 HB1 ASP 24 -6.598 5.557 -5.197
148 H ALA 25 H ALA 25 -8.368 9.469 -4.516
149 HA ALA 25 HA ALA 25 -10.913 8.284 -5.416
150 HB1 ALA 25 HB1 ALA 25 -10.440 10.304 -3.197
151 HB2 ALA 25 HB2 ALA 25 -10.993 8.644 -2.982
152 HB3 ALA 25 HB3 ALA 25 -12.028 9.822 -3.791
153 H SER 26 H SER 26 -8.629 9.689 -6.570
154 HA SER 26 HA SER 26 -9.415 12.381 -7.159
155 HB2 SER 26 HB2 SER 26 -7.126 10.636 -8.067
156 HB3 SER 26 HB1 SER 26 -7.229 12.375 -8.329
157 HG SER 26 HG SER 26 -7.630 12.282 -5.890
158 H ARG 27 H ARG 27 -9.760 13.095 -9.402
159 HA ARG 27 HA ARG 27 -10.637 10.947 -11.156
160 HB2 ARG 27 HB2 ARG 27 -12.165 13.511 -10.694
161 HB3 ARG 27 HB1 ARG 27 -12.592 12.233 -11.814
162 HG2 ARG 27 HG2 ARG 27 -12.878 10.712 -9.860
163 HG3 ARG 27 HG1 ARG 27 -12.626 12.108 -8.810
164 HD2 ARG 27 HD2 ARG 27 -14.825 11.715 -10.833
165 HD3 ARG 27 HD1 ARG 27 -14.983 11.778 -9.077
166 HE ARG 27 HE ARG 27 -13.917 14.159 -9.602
167 HH11 ARG 27 HH11 ARG 27 -16.703 12.514 -11.049
168 HH12 ARG 27 HH12 ARG 27 -17.466 13.953 -11.533
169 HH21 ARG 27 HH21 ARG 27 -14.974 16.110 -10.252
170 HH22 ARG 27 HH22 ARG 27 -16.478 16.036 -11.063
171 H GLY 28 H GLY 28 -10.959 11.798 -13.333
172 HA2 GLY 28 HA2 GLY 28 -10.312 13.076 -15.171
173 HA3 GLY 28 HA1 GLY 28 -9.406 14.133 -14.083
174 H THR 29 H THR 29 -7.622 12.982 -12.950
175 HA THR 29 HA THR 29 -6.139 11.447 -14.909
176 HB THR 29 HB THR 29 -4.982 13.486 -14.224
177 HG1 THR 29 HG1 THR 29 -3.555 11.567 -12.783
178 HG21 THR 29 HG21 THR 29 -5.175 12.484 -11.371
179 HG22 THR 29 HG22 THR 29 -6.006 13.890 -12.037
180 HG23 THR 29 HG23 THR 29 -4.248 13.892 -11.895
181 H ASN 30 H ASN 30 -6.124 9.345 -14.600
182 HA ASN 30 HA ASN 30 -6.928 8.351 -11.969
183 HB2 ASN 30 HB2 ASN 30 -7.239 7.125 -14.715
184 HB3 ASN 30 HB1 ASN 30 -7.509 6.223 -13.234
185 HD21 ASN 30 HD21 ASN 30 -9.661 5.864 -13.737
186 HD22 ASN 30 HD22 ASN 30 -10.853 7.109 -13.610
187 HA PRO 31 HA PRO 31 -2.718 6.777 -11.905
188 HB2 PRO 31 HB2 PRO 31 -3.169 6.121 -9.129
189 HB3 PRO 31 HB1 PRO 31 -2.122 7.372 -9.795
190 HG2 PRO 31 HG2 PRO 31 -4.438 7.842 -8.364
191 HG3 PRO 31 HG1 PRO 31 -3.672 9.001 -9.455
192 HD2 PRO 31 HD2 PRO 31 -6.067 7.298 -9.874
193 HD3 PRO 31 HD1 PRO 31 -5.666 8.897 -10.532