Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
8903 | 1n1u RC | 5609 | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H ALA 1 H ALA 1 5.474 3.139 -2.277
2 HA ALA 1 HA ALA 1 5.227 3.285 -4.531
3 1HB ALA 1 1HB ALA 1 5.202 0.271 -4.357
4 2HB ALA 1 2HB ALA 1 6.638 1.290 -4.459
5 3HB ALA 1 3HB ALA 1 5.508 1.223 -5.810
6 H GLY 2 H GLY 2 3.616 0.614 -5.558
7 1HA GLY 2 2HA GLY 2 1.099 2.100 -5.669
8 2HA GLY 2 1HA GLY 2 1.540 0.739 -6.687
9 H GLU 3 H GLU 3 2.030 0.564 -3.246
10 HA GLU 3 HA GLU 3 0.340 -1.734 -3.051
11 1HB GLU 3 2HB GLU 3 2.416 -1.368 -1.684
12 2HB GLU 3 1HB GLU 3 1.556 -0.116 -0.804
13 1HG GLU 3 2HG GLU 3 1.467 -2.052 0.521
14 2HG GLU 3 1HG GLU 3 -0.136 -1.854 -0.183
15 H THR 4 H THR 4 -1.783 -1.735 -2.748
16 HA THR 4 HA THR 4 -3.010 0.691 -1.655
17 HB THR 4 HB THR 4 -5.128 -0.163 -2.743
18 HG1 THR 4 HG1 THR 4 -3.345 -1.703 -4.337
19 1HG2 THR 4 1HG2 THR 4 -4.133 0.421 -5.130
20 2HG2 THR 4 2HG2 THR 4 -2.733 0.891 -4.163
21 3HG2 THR 4 3HG2 THR 4 -4.300 1.648 -3.874
22 H CYS 5 H CYS 5 -4.806 0.473 -0.248
23 HA CYS 5 HA CYS 5 -4.873 -2.117 1.158
24 1HB CYS 5 2HB CYS 5 -3.726 -0.246 2.424
25 2HB CYS 5 1HB CYS 5 -5.276 0.591 2.450
26 H VAL 6 H VAL 6 -6.543 -1.463 -0.974
27 HA VAL 6 HA VAL 6 -9.021 -0.371 -0.197
28 HB VAL 6 HB VAL 6 -8.609 -2.464 -2.333
29 1HG1 VAL 6 1HG1 VAL 6 -10.742 -0.396 -1.864
30 2HG1 VAL 6 2HG1 VAL 6 -10.924 -2.149 -1.915
31 3HG1 VAL 6 3HG1 VAL 6 -10.543 -1.257 -3.389
32 1HG2 VAL 6 1HG2 VAL 6 -7.030 -0.656 -2.687
33 2HG2 VAL 6 2HG2 VAL 6 -8.323 0.532 -2.526
34 3HG2 VAL 6 3HG2 VAL 6 -8.315 -0.583 -3.892
35 H GLY 7 H GLY 7 -7.761 -3.660 -0.155
36 1HA GLY 7 2HA GLY 7 -10.237 -4.756 0.875
37 2HA GLY 7 1HA GLY 7 -8.752 -5.634 0.564
38 H GLY 8 H GLY 8 -8.037 -2.932 2.275
39 1HA GLY 8 2HA GLY 8 -7.737 -2.444 4.526
40 2HA GLY 8 1HA GLY 8 -8.672 -3.876 4.917
41 H THR 9 H THR 9 -6.201 -4.541 2.747
42 HA THR 9 HA THR 9 -4.180 -5.074 4.771
43 HB THR 9 HB THR 9 -3.904 -7.432 3.838
44 HG1 THR 9 HG1 THR 9 -5.481 -6.940 2.080
45 1HG2 THR 9 1HG2 THR 9 -5.974 -8.268 5.207
46 2HG2 THR 9 2HG2 THR 9 -6.129 -6.564 5.635
47 3HG2 THR 9 3HG2 THR 9 -4.648 -7.439 6.023
48 H CYS 10 H CYS 10 -2.114 -5.138 3.946
49 HA CYS 10 HA CYS 10 -1.847 -4.490 1.091
50 1HB CYS 10 2HB CYS 10 0.389 -4.209 3.054
51 2HB CYS 10 1HB CYS 10 0.114 -3.336 1.560
52 H ASN 11 H ASN 11 -0.017 -5.354 -0.030
53 HA ASN 11 HA ASN 11 0.321 -8.185 0.481
54 1HB ASN 11 2HB ASN 11 1.423 -6.384 -1.693
55 2HB ASN 11 1HB ASN 11 1.621 -8.133 -1.647
56 1HD2 ASN 11 1HD2 ASN 11 -0.430 -5.516 -2.423
57 2HD2 ASN 11 2HD2 ASN 11 -1.756 -6.451 -3.033
58 H THR 12 H THR 12 2.206 -5.239 0.526
59 HA THR 12 HA THR 12 4.725 -6.456 1.045
60 HB THR 12 HB THR 12 3.812 -3.621 1.585
61 HG1 THR 12 HG1 THR 12 3.662 -4.155 -0.625
62 1HG2 THR 12 1HG2 THR 12 5.899 -3.093 2.229
63 2HG2 THR 12 2HG2 THR 12 6.633 -4.095 0.976
64 3HG2 THR 12 3HG2 THR 12 6.111 -4.825 2.495
65 HA PRO 13 HA PRO 13 4.011 -7.465 5.325
66 1HB PRO 13 2HB PRO 13 6.924 -7.819 5.436
67 2HB PRO 13 1HB PRO 13 5.641 -9.002 5.700
68 1HG PRO 13 2HG PRO 13 7.212 -9.042 3.513
69 2HG PRO 13 1HG PRO 13 5.519 -9.563 3.474
70 1HD PRO 13 2HD PRO 13 6.738 -6.999 2.536
71 2HD PRO 13 1HD PRO 13 5.428 -7.957 1.817
72 H GLY 14 H GLY 14 4.009 -6.269 7.110
73 1HA GLY 14 2HA GLY 14 4.601 -4.692 8.681
74 2HA GLY 14 1HA GLY 14 6.140 -4.518 7.855
75 H ALA 15 H ALA 15 3.203 -4.104 6.061
76 HA ALA 15 HA ALA 15 3.828 -1.257 5.794
77 1HB ALA 15 1HB ALA 15 2.150 -1.413 3.881
78 2HB ALA 15 2HB ALA 15 2.225 -3.160 4.107
79 3HB ALA 15 3HB ALA 15 3.680 -2.264 3.673
80 H THR 16 H THR 16 2.430 0.320 6.404
81 HA THR 16 HA THR 16 0.211 -0.489 8.100
82 HB THR 16 HB THR 16 0.933 2.364 7.571
83 HG1 THR 16 HG1 THR 16 2.595 0.443 8.595
84 1HG2 THR 16 1HG2 THR 16 0.127 0.927 10.099
85 2HG2 THR 16 2HG2 THR 16 -0.995 1.750 9.016
86 3HG2 THR 16 3HG2 THR 16 0.246 2.671 9.864
87 H CYS 17 H CYS 17 -1.904 0.215 7.772
88 HA CYS 17 HA CYS 17 -2.618 0.512 4.996
89 1HB CYS 17 2HB CYS 17 -3.861 -1.024 6.493
90 2HB CYS 17 1HB CYS 17 -4.418 0.366 7.419
91 H SER 18 H SER 18 -3.442 2.222 4.016
92 HA SER 18 HA SER 18 -4.217 4.605 5.494
93 1HB SER 18 2HB SER 18 -2.148 4.646 3.279
94 2HB SER 18 1HB SER 18 -2.779 6.052 4.135
95 HG SER 18 HG SER 18 -1.918 4.464 6.005
96 H TRP 19 H TRP 19 -6.035 3.138 4.575
97 HA TRP 19 HA TRP 19 -6.837 2.658 2.134
98 1HB TRP 19 2HB TRP 19 -8.188 2.736 4.410
99 2HB TRP 19 1HB TRP 19 -8.854 4.202 3.693
100 HD1 TRP 19 HD1 TRP 19 -8.846 0.418 3.309
101 HE1 TRP 19 HE1 TRP 19 -10.650 -0.272 1.610
102 HE3 TRP 19 HE3 TRP 19 -10.166 5.051 1.616
103 HZ2 TRP 19 HZ2 TRP 19 -12.403 0.982 -0.205
104 HZ3 TRP 19 HZ3 TRP 19 -11.920 5.223 -0.103
105 HH2 TRP 19 HH2 TRP 19 -13.015 3.229 -0.994
106 HA PRO 20 HA PRO 20 -7.582 2.450 0.581
107 1HB PRO 20 2HB PRO 20 -7.700 2.675 -2.041
108 2HB PRO 20 1HB PRO 20 -9.023 3.255 -1.029
109 1HG PRO 20 2HG PRO 20 -6.907 4.808 -2.438
110 2HG PRO 20 1HG PRO 20 -8.607 5.223 -2.160
111 1HD PRO 20 2HD PRO 20 -6.380 6.073 -0.632
112 2HD PRO 20 1HD PRO 20 -8.093 6.283 -0.222
113 H VAL 21 H VAL 21 -4.890 3.893 0.985
114 HA VAL 21 HA VAL 21 -3.372 2.111 -0.813
115 HB VAL 21 HB VAL 21 -1.494 3.782 -0.736
116 1HG1 VAL 21 1HG1 VAL 21 -3.806 5.088 -2.081
117 2HG1 VAL 21 2HG1 VAL 21 -3.366 3.449 -2.564
118 3HG1 VAL 21 3HG1 VAL 21 -2.185 4.752 -2.691
119 1HG2 VAL 21 1HG2 VAL 21 -1.660 5.767 0.276
120 2HG2 VAL 21 2HG2 VAL 21 -3.023 5.056 1.141
121 3HG2 VAL 21 3HG2 VAL 21 -3.306 6.028 -0.303
122 H CYS 22 H CYS 22 -0.898 2.196 0.070
123 HA CYS 22 HA CYS 22 -1.051 1.649 2.964
124 1HB CYS 22 2HB CYS 22 0.297 -0.008 0.828
125 2HB CYS 22 1HB CYS 22 0.594 -0.216 2.552
126 H THR 23 H THR 23 0.656 2.271 4.200
127 HA THR 23 HA THR 23 2.953 3.487 2.829
128 HB THR 23 HB THR 23 2.974 5.276 4.591
129 HG1 THR 23 HG1 THR 23 0.247 4.853 5.081
130 1HG2 THR 23 1HG2 THR 23 0.861 5.036 2.502
131 2HG2 THR 23 2HG2 THR 23 2.211 6.165 2.620
132 3HG2 THR 23 3HG2 THR 23 0.778 6.398 3.620
133 H ARG 24 H ARG 24 4.859 3.656 4.160
134 HA ARG 24 HA ARG 24 4.894 2.139 6.638
135 1HB ARG 24 2HB ARG 24 5.302 0.463 4.849
136 2HB ARG 24 1HB ARG 24 6.668 1.418 4.292
137 1HG ARG 24 2HG ARG 24 7.762 1.087 6.468
138 2HG ARG 24 1HG ARG 24 6.407 0.076 6.973
139 1HD ARG 24 2HD ARG 24 8.343 -1.238 6.187
140 2HD ARG 24 1HD ARG 24 6.890 -1.520 5.231
141 HE ARG 24 HE ARG 24 8.059 -0.831 3.417
142 1HH1 ARG 24 1HH1 ARG 24 9.519 0.691 6.223
143 2HH1 ARG 24 2HH1 ARG 24 10.758 1.479 5.302
144 1HH2 ARG 24 1HH2 ARG 24 9.691 0.216 2.208
145 2HH2 ARG 24 2HH2 ARG 24 10.853 1.213 3.018
146 H ASN 25 H ASN 25 6.164 3.144 8.044
147 HA ASN 25 HA ASN 25 7.603 4.627 8.970
148 1HB ASN 25 2HB ASN 25 9.140 4.115 6.415
149 2HB ASN 25 1HB ASN 25 9.761 5.089 7.743
150 1HD2 ASN 25 1HD2 ASN 25 10.959 4.078 9.174
151 2HD2 ASN 25 2HD2 ASN 25 10.967 2.376 9.475
152 H GLY 26 H GLY 26 5.381 5.571 7.407
153 1HA GLY 26 2HA GLY 26 4.510 7.656 6.945
154 2HA GLY 26 1HA GLY 26 6.086 8.345 7.300
155 H LEU 27 H LEU 27 6.169 5.839 5.001
156 HA LEU 27 HA LEU 27 6.101 7.778 2.782
157 1HB LEU 27 2HB LEU 27 8.071 5.518 3.180
158 2HB LEU 27 1HB LEU 27 7.959 6.512 1.740
159 HG LEU 27 HG LEU 27 8.676 7.545 4.486
160 1HD1 LEU 27 1HD1 LEU 27 10.936 7.849 3.371
161 2HD1 LEU 27 2HD1 LEU 27 10.356 6.736 2.131
162 3HD1 LEU 27 3HD1 LEU 27 10.482 6.200 3.807
163 1HD2 LEU 27 1HD2 LEU 27 8.736 8.864 1.773
164 2HD2 LEU 27 2HD2 LEU 27 9.327 9.573 3.277
165 3HD2 LEU 27 3HD2 LEU 27 7.609 9.225 3.081
166 HA PRO 28 HA PRO 28 3.143 4.944 1.112
167 1HB PRO 28 2HB PRO 28 4.018 5.804 -1.545
168 2HB PRO 28 1HB PRO 28 2.435 5.951 -0.785
169 1HG PRO 28 2HG PRO 28 4.075 8.079 -1.183
170 2HG PRO 28 1HG PRO 28 2.920 7.982 0.157
171 1HD PRO 28 2HD PRO 28 5.875 7.642 0.172
172 2HD PRO 28 1HD PRO 28 4.801 8.274 1.435
173 H VAL 29 H VAL 29 3.167 2.913 0.375
174 HA VAL 29 HA VAL 29 5.764 1.760 -0.248
175 HB VAL 29 HB VAL 29 3.144 0.285 0.144
176 1HG1 VAL 29 1HG1 VAL 29 5.035 -0.907 -1.004
177 2HG1 VAL 29 2HG1 VAL 29 4.485 -1.658 0.495
178 3HG1 VAL 29 3HG1 VAL 29 5.972 -0.710 0.477
179 1HG2 VAL 29 1HG2 VAL 29 3.530 1.505 2.151
180 2HG2 VAL 29 2HG2 VAL 29 5.242 1.083 2.152
181 3HG2 VAL 29 3HG2 VAL 29 4.027 -0.162 2.445
Start of MODEL 2
1 H ALA 1 H ALA 1 4.462 3.659 -3.898
2 HA ALA 1 HA ALA 1 1.907 4.184 -5.085
3 1HB ALA 1 1HB ALA 1 4.580 3.847 -6.441
4 2HB ALA 1 2HB ALA 1 3.975 5.361 -5.770
5 3HB ALA 1 3HB ALA 1 3.135 4.595 -7.119
6 H GLY 2 H GLY 2 0.582 2.757 -5.983
7 1HA GLY 2 2HA GLY 2 0.083 0.936 -7.421
8 2HA GLY 2 1HA GLY 2 1.669 0.265 -7.072
9 H GLU 3 H GLU 3 1.548 0.478 -4.241
10 HA GLU 3 HA GLU 3 -0.045 -1.867 -3.711
11 1HB GLU 3 2HB GLU 3 2.306 -1.290 -2.754
12 2HB GLU 3 1HB GLU 3 1.423 -0.297 -1.607
13 1HG GLU 3 2HG GLU 3 0.266 -2.186 -0.741
14 2HG GLU 3 1HG GLU 3 0.886 -3.223 -2.019
15 H THR 4 H THR 4 -2.155 -1.599 -3.455
16 HA THR 4 HA THR 4 -3.118 0.789 -2.070
17 HB THR 4 HB THR 4 -5.380 0.045 -2.908
18 HG1 THR 4 HG1 THR 4 -4.031 -1.476 -4.853
19 1HG2 THR 4 1HG2 THR 4 -5.007 0.914 -5.171
20 2HG2 THR 4 2HG2 THR 4 -3.270 0.677 -4.978
21 3HG2 THR 4 3HG2 THR 4 -4.116 1.853 -3.973
22 H CYS 5 H CYS 5 -4.696 0.622 -0.448
23 HA CYS 5 HA CYS 5 -4.696 -1.982 0.930
24 1HB CYS 5 2HB CYS 5 -3.403 -0.092 2.053
25 2HB CYS 5 1HB CYS 5 -4.955 0.711 2.284
26 H VAL 6 H VAL 6 -6.561 -1.362 -1.011
27 HA VAL 6 HA VAL 6 -8.932 -0.189 -0.052
28 HB VAL 6 HB VAL 6 -8.738 -2.376 -2.126
29 1HG1 VAL 6 1HG1 VAL 6 -10.861 -1.881 -2.770
30 2HG1 VAL 6 2HG1 VAL 6 -10.740 -0.196 -2.268
31 3HG1 VAL 6 3HG1 VAL 6 -10.993 -1.458 -1.063
32 1HG2 VAL 6 1HG2 VAL 6 -7.284 -0.205 -2.360
33 2HG2 VAL 6 2HG2 VAL 6 -8.822 0.518 -2.832
34 3HG2 VAL 6 3HG2 VAL 6 -8.172 -0.846 -3.743
35 H GLY 7 H GLY 7 -7.758 -3.510 0.005
36 1HA GLY 7 2HA GLY 7 -10.148 -4.455 1.370
37 2HA GLY 7 1HA GLY 7 -8.771 -5.418 0.873
38 H GLY 8 H GLY 8 -7.875 -2.628 2.462
39 1HA GLY 8 2HA GLY 8 -7.029 -2.176 4.556
40 2HA GLY 8 1HA GLY 8 -8.125 -3.401 5.164
41 H THR 9 H THR 9 -5.762 -4.068 2.752
42 HA THR 9 HA THR 9 -3.877 -5.214 4.631
43 HB THR 9 HB THR 9 -4.020 -7.328 2.950
44 HG1 THR 9 HG1 THR 9 -6.720 -6.470 3.323
45 1HG2 THR 9 1HG2 THR 9 -5.826 -8.082 4.876
46 2HG2 THR 9 2HG2 THR 9 -4.996 -6.727 5.640
47 3HG2 THR 9 3HG2 THR 9 -4.072 -8.109 5.054
48 H CYS 10 H CYS 10 -1.837 -5.609 3.725
49 HA CYS 10 HA CYS 10 -1.440 -4.621 0.979
50 1HB CYS 10 2HB CYS 10 0.445 -4.222 3.300
51 2HB CYS 10 1HB CYS 10 0.668 -3.635 1.662
52 H ASN 11 H ASN 11 0.789 -5.261 0.193
53 HA ASN 11 HA ASN 11 1.028 -8.143 0.527
54 1HB ASN 11 2HB ASN 11 2.231 -6.195 -1.444
55 2HB ASN 11 1HB ASN 11 2.727 -7.881 -1.363
56 1HD2 ASN 11 1HD2 ASN 11 1.753 -9.152 -2.747
57 2HD2 ASN 11 2HD2 ASN 11 0.171 -8.932 -3.403
58 H THR 12 H THR 12 2.715 -5.176 1.165
59 HA THR 12 HA THR 12 5.208 -6.396 1.887
60 HB THR 12 HB THR 12 4.186 -3.665 2.693
61 HG1 THR 12 HG1 THR 12 4.168 -3.640 0.481
62 1HG2 THR 12 1HG2 THR 12 6.764 -5.088 2.926
63 2HG2 THR 12 2HG2 THR 12 6.080 -3.806 3.926
64 3HG2 THR 12 3HG2 THR 12 6.852 -3.409 2.391
65 HA PRO 13 HA PRO 13 3.882 -7.766 5.923
66 1HB PRO 13 2HB PRO 13 6.342 -8.426 6.883
67 2HB PRO 13 1HB PRO 13 5.431 -9.450 5.766
68 1HG PRO 13 2HG PRO 13 7.672 -7.554 5.203
69 2HG PRO 13 1HG PRO 13 7.367 -9.165 4.538
70 1HD PRO 13 2HD PRO 13 6.792 -6.886 3.184
71 2HD PRO 13 1HD PRO 13 5.857 -8.382 2.988
72 H GLY 14 H GLY 14 3.486 -6.606 7.668
73 1HA GLY 14 2HA GLY 14 3.702 -5.084 9.384
74 2HA GLY 14 1HA GLY 14 5.416 -4.995 9.009
75 H ALA 15 H ALA 15 2.956 -4.326 6.625
76 HA ALA 15 HA ALA 15 3.968 -1.614 6.373
77 1HB ALA 15 1HB ALA 15 1.974 -1.902 4.492
78 2HB ALA 15 2HB ALA 15 2.654 -3.524 4.619
79 3HB ALA 15 3HB ALA 15 3.698 -2.158 4.225
80 H THR 16 H THR 16 2.689 0.229 6.539
81 HA THR 16 HA THR 16 0.414 -0.043 8.330
82 HB THR 16 HB THR 16 1.298 2.604 7.297
83 HG1 THR 16 HG1 THR 16 2.854 0.837 8.858
84 1HG2 THR 16 1HG2 THR 16 0.413 1.518 9.966
85 2HG2 THR 16 2HG2 THR 16 -0.470 2.611 8.900
86 3HG2 THR 16 3HG2 THR 16 0.981 3.171 9.731
87 H CYS 17 H CYS 17 -1.650 0.659 7.814
88 HA CYS 17 HA CYS 17 -2.197 0.777 4.954
89 1HB CYS 17 2HB CYS 17 -3.411 -0.890 6.302
90 2HB CYS 17 1HB CYS 17 -4.110 0.408 7.261
91 H SER 18 H SER 18 -2.893 2.489 3.946
92 HA SER 18 HA SER 18 -3.953 4.773 5.442
93 1HB SER 18 2HB SER 18 -1.816 4.827 3.300
94 2HB SER 18 1HB SER 18 -2.692 6.261 3.830
95 HG SER 18 HG SER 18 -0.732 4.771 5.144
96 H TRP 19 H TRP 19 -5.754 3.314 4.642
97 HA TRP 19 HA TRP 19 -6.621 2.722 2.232
98 1HB TRP 19 2HB TRP 19 -7.881 2.786 4.540
99 2HB TRP 19 1HB TRP 19 -8.580 4.263 3.882
100 HD1 TRP 19 HD1 TRP 19 -8.628 0.486 3.470
101 HE1 TRP 19 HE1 TRP 19 -10.536 -0.173 1.874
102 HE3 TRP 19 HE3 TRP 19 -9.971 5.140 1.869
103 HZ2 TRP 19 HZ2 TRP 19 -12.369 1.115 0.162
104 HZ3 TRP 19 HZ3 TRP 19 -11.815 5.348 0.250
105 HH2 TRP 19 HH2 TRP 19 -12.989 3.375 -0.586
106 HA PRO 20 HA PRO 20 -7.397 2.476 0.697
107 1HB PRO 20 2HB PRO 20 -7.709 2.682 -1.913
108 2HB PRO 20 1HB PRO 20 -8.977 3.209 -0.807
109 1HG PRO 20 2HG PRO 20 -7.075 4.838 -2.407
110 2HG PRO 20 1HG PRO 20 -8.741 5.204 -1.930
111 1HD PRO 20 2HD PRO 20 -6.341 6.069 -0.655
112 2HD PRO 20 1HD PRO 20 -8.009 6.325 -0.103
113 H VAL 21 H VAL 21 -4.729 3.869 0.988
114 HA VAL 21 HA VAL 21 -3.303 2.193 -0.984
115 HB VAL 21 HB VAL 21 -1.462 3.881 -1.039
116 1HG1 VAL 21 1HG1 VAL 21 -2.707 5.455 -2.577
117 2HG1 VAL 21 2HG1 VAL 21 -4.175 4.582 -2.135
118 3HG1 VAL 21 3HG1 VAL 21 -2.856 3.736 -2.943
119 1HG2 VAL 21 1HG2 VAL 21 -3.456 5.444 0.541
120 2HG2 VAL 21 2HG2 VAL 21 -2.352 6.278 -0.552
121 3HG2 VAL 21 3HG2 VAL 21 -1.712 5.293 0.764
122 H CYS 22 H CYS 22 -1.035 1.728 -0.392
123 HA CYS 22 HA CYS 22 -0.922 1.101 2.459
124 1HB CYS 22 2HB CYS 22 0.537 0.019 0.052
125 2HB CYS 22 1HB CYS 22 0.974 -0.410 1.704
126 H THR 23 H THR 23 0.934 1.488 3.704
127 HA THR 23 HA THR 23 2.868 3.403 2.613
128 HB THR 23 HB THR 23 2.687 4.577 4.927
129 HG1 THR 23 HG1 THR 23 0.704 2.783 5.105
130 1HG2 THR 23 1HG2 THR 23 2.123 6.011 3.249
131 2HG2 THR 23 2HG2 THR 23 0.521 5.807 3.958
132 3HG2 THR 23 3HG2 THR 23 0.974 4.886 2.523
133 H ARG 24 H ARG 24 4.906 3.234 3.466
134 HA ARG 24 HA ARG 24 5.280 1.224 5.587
135 1HB ARG 24 2HB ARG 24 6.978 1.609 3.108
136 2HB ARG 24 1HB ARG 24 7.362 0.517 4.434
137 1HG ARG 24 2HG ARG 24 5.376 -0.785 3.986
138 2HG ARG 24 1HG ARG 24 4.891 0.343 2.723
139 1HD ARG 24 2HD ARG 24 7.387 -1.346 2.704
140 2HD ARG 24 1HD ARG 24 5.906 -1.702 1.820
141 HE ARG 24 HE ARG 24 7.285 0.824 1.291
142 1HH1 ARG 24 1HH1 ARG 24 6.238 -2.343 0.224
143 2HH1 ARG 24 2HH1 ARG 24 6.730 -2.093 -1.418
144 1HH2 ARG 24 1HH2 ARG 24 7.943 1.159 -0.882
145 2HH2 ARG 24 2HH2 ARG 24 7.705 -0.098 -2.049
146 H ASN 25 H ASN 25 6.164 2.095 7.302
147 HA ASN 25 HA ASN 25 7.271 3.495 8.702
148 1HB ASN 25 2HB ASN 25 9.175 2.577 7.112
149 2HB ASN 25 1HB ASN 25 9.217 4.246 6.551
150 1HD2 ASN 25 1HD2 ASN 25 10.722 2.214 8.512
151 2HD2 ASN 25 2HD2 ASN 25 11.252 3.289 9.756
152 H GLY 26 H GLY 26 5.082 4.556 7.415
153 1HA GLY 26 2HA GLY 26 4.020 6.590 7.254
154 2HA GLY 26 1HA GLY 26 5.518 7.352 7.761
155 H LEU 27 H LEU 27 5.896 5.331 5.052
156 HA LEU 27 HA LEU 27 5.852 7.688 3.288
157 1HB LEU 27 2HB LEU 27 8.093 6.715 3.664
158 2HB LEU 27 1HB LEU 27 7.515 5.176 3.060
159 HG LEU 27 HG LEU 27 7.060 6.304 0.858
160 1HD1 LEU 27 1HD1 LEU 27 7.735 8.613 2.393
161 2HD1 LEU 27 2HD1 LEU 27 7.160 8.511 0.730
162 3HD1 LEU 27 3HD1 LEU 27 8.889 8.435 1.071
163 1HD2 LEU 27 1HD2 LEU 27 9.356 6.214 0.135
164 2HD2 LEU 27 2HD2 LEU 27 9.064 4.930 1.308
165 3HD2 LEU 27 3HD2 LEU 27 9.923 6.390 1.796
166 HA PRO 28 HA PRO 28 2.484 5.559 1.300
167 1HB PRO 28 2HB PRO 28 2.961 7.382 -0.938
168 2HB PRO 28 1HB PRO 28 1.524 7.193 0.065
169 1HG PRO 28 2HG PRO 28 3.131 9.358 0.248
170 2HG PRO 28 1HG PRO 28 2.249 8.702 1.638
171 1HD PRO 28 2HD PRO 28 5.136 8.441 0.924
172 2HD PRO 28 1HD PRO 28 4.376 8.599 2.521
173 H VAL 29 H VAL 29 2.304 3.971 -0.153
174 HA VAL 29 HA VAL 29 4.673 3.394 -1.795
175 HB VAL 29 HB VAL 29 2.546 1.437 -0.887
176 1HG1 VAL 29 1HG1 VAL 29 3.688 -0.193 -1.976
177 2HG1 VAL 29 2HG1 VAL 29 5.253 0.585 -1.736
178 3HG1 VAL 29 3HG1 VAL 29 4.167 1.160 -3.000
179 1HG2 VAL 29 1HG2 VAL 29 3.716 0.967 0.980
180 2HG2 VAL 29 2HG2 VAL 29 4.313 2.616 0.780
181 3HG2 VAL 29 3HG2 VAL 29 5.276 1.254 0.207
Start of MODEL 3
1 H ALA 1 H ALA 1 5.744 2.186 -3.097
2 HA ALA 1 HA ALA 1 3.881 3.236 -4.911
3 1HB ALA 1 1HB ALA 1 5.502 2.583 -6.645
4 2HB ALA 1 2HB ALA 1 6.399 1.668 -5.434
5 3HB ALA 1 3HB ALA 1 6.258 3.420 -5.289
6 H GLY 2 H GLY 2 2.224 2.368 -5.891
7 1HA GLY 2 2HA GLY 2 0.842 0.864 -6.928
8 2HA GLY 2 1HA GLY 2 2.226 -0.206 -7.071
9 H GLU 3 H GLU 3 1.312 0.886 -3.918
10 HA GLU 3 HA GLU 3 0.192 -1.785 -3.374
11 1HB GLU 3 2HB GLU 3 2.397 -1.234 -2.300
12 2HB GLU 3 1HB GLU 3 1.590 0.051 -1.428
13 1HG GLU 3 2HG GLU 3 1.790 -1.778 0.036
14 2HG GLU 3 1HG GLU 3 0.097 -1.668 -0.429
15 H THR 4 H THR 4 -1.932 -1.662 -3.155
16 HA THR 4 HA THR 4 -3.080 0.744 -1.930
17 HB THR 4 HB THR 4 -5.238 0.011 -2.912
18 HG1 THR 4 HG1 THR 4 -3.888 -2.229 -3.367
19 1HG2 THR 4 1HG2 THR 4 -4.829 1.160 -4.821
20 2HG2 THR 4 2HG2 THR 4 -3.463 0.138 -5.270
21 3HG2 THR 4 3HG2 THR 4 -3.250 1.422 -4.080
22 H CYS 5 H CYS 5 -4.741 0.536 -0.396
23 HA CYS 5 HA CYS 5 -4.784 -2.077 0.968
24 1HB CYS 5 2HB CYS 5 -3.558 -0.196 2.180
25 2HB CYS 5 1HB CYS 5 -5.123 0.598 2.341
26 H VAL 6 H VAL 6 -6.564 -1.465 -1.046
27 HA VAL 6 HA VAL 6 -8.972 -0.289 -0.194
28 HB VAL 6 HB VAL 6 -8.703 -2.483 -2.253
29 1HG1 VAL 6 1HG1 VAL 6 -10.646 -0.346 -2.685
30 2HG1 VAL 6 2HG1 VAL 6 -10.972 -1.327 -1.256
31 3HG1 VAL 6 3HG1 VAL 6 -10.827 -2.094 -2.837
32 1HG2 VAL 6 1HG2 VAL 6 -8.820 0.277 -3.209
33 2HG2 VAL 6 2HG2 VAL 6 -7.793 -1.060 -3.726
34 3HG2 VAL 6 3HG2 VAL 6 -7.351 -0.106 -2.311
35 H GLY 7 H GLY 7 -7.784 -3.600 -0.032
36 1HA GLY 7 2HA GLY 7 -10.246 -4.571 1.168
37 2HA GLY 7 1HA GLY 7 -8.813 -5.508 0.802
38 H GLY 8 H GLY 8 -8.107 -2.677 2.417
39 1HA GLY 8 2HA GLY 8 -7.501 -2.166 4.582
40 2HA GLY 8 1HA GLY 8 -8.556 -3.466 5.103
41 H THR 9 H THR 9 -6.114 -4.204 2.851
42 HA THR 9 HA THR 9 -4.176 -5.033 4.838
43 HB THR 9 HB THR 9 -4.190 -7.342 3.480
44 HG1 THR 9 HG1 THR 9 -6.929 -6.531 3.555
45 1HG2 THR 9 1HG2 THR 9 -5.744 -8.218 5.338
46 2HG2 THR 9 2HG2 THR 9 -5.764 -6.552 5.914
47 3HG2 THR 9 3HG2 THR 9 -4.240 -7.434 5.818
48 H CYS 10 H CYS 10 -2.112 -5.384 3.968
49 HA CYS 10 HA CYS 10 -1.812 -4.616 1.140
50 1HB CYS 10 2HB CYS 10 0.307 -4.266 3.251
51 2HB CYS 10 1HB CYS 10 0.265 -3.575 1.642
52 H ASN 11 H ASN 11 0.241 -5.401 0.189
53 HA ASN 11 HA ASN 11 0.527 -8.264 0.695
54 1HB ASN 11 2HB ASN 11 1.764 -6.560 -1.488
55 2HB ASN 11 1HB ASN 11 1.688 -8.317 -1.443
56 1HD2 ASN 11 1HD2 ASN 11 0.216 -5.493 -2.508
57 2HD2 ASN 11 2HD2 ASN 11 -1.281 -6.188 -3.038
58 H THR 12 H THR 12 2.231 -5.249 0.765
59 HA THR 12 HA THR 12 4.851 -6.229 1.188
60 HB THR 12 HB THR 12 3.724 -3.555 2.040
61 HG1 THR 12 HG1 THR 12 3.300 -3.995 -0.191
62 1HG2 THR 12 1HG2 THR 12 6.319 -3.277 1.058
63 2HG2 THR 12 2HG2 THR 12 6.369 -4.724 2.065
64 3HG2 THR 12 3HG2 THR 12 5.813 -3.194 2.745
65 HA PRO 13 HA PRO 13 4.361 -7.549 5.420
66 1HB PRO 13 2HB PRO 13 7.021 -7.898 5.945
67 2HB PRO 13 1HB PRO 13 6.029 -9.074 5.077
68 1HG PRO 13 2HG PRO 13 7.916 -7.023 4.001
69 2HG PRO 13 1HG PRO 13 7.656 -8.697 3.482
70 1HD PRO 13 2HD PRO 13 6.613 -6.589 2.148
71 2HD PRO 13 1HD PRO 13 5.788 -8.159 2.241
72 H GLY 14 H GLY 14 4.185 -6.428 7.215
73 1HA GLY 14 2HA GLY 14 4.489 -4.835 8.840
74 2HA GLY 14 1HA GLY 14 6.101 -4.579 8.192
75 H ALA 15 H ALA 15 3.179 -4.210 6.289
76 HA ALA 15 HA ALA 15 3.839 -1.377 5.967
77 1HB ALA 15 1HB ALA 15 1.717 -2.567 4.300
78 2HB ALA 15 2HB ALA 15 3.342 -3.212 4.066
79 3HB ALA 15 3HB ALA 15 3.039 -1.487 3.859
80 H THR 16 H THR 16 2.451 0.227 6.466
81 HA THR 16 HA THR 16 0.207 -0.452 8.187
82 HB THR 16 HB THR 16 0.979 2.356 7.510
83 HG1 THR 16 HG1 THR 16 2.588 0.458 8.709
84 1HG2 THR 16 1HG2 THR 16 -0.918 1.440 9.124
85 2HG2 THR 16 2HG2 THR 16 -0.003 2.899 9.504
86 3HG2 THR 16 3HG2 THR 16 0.431 1.365 10.258
87 H CYS 17 H CYS 17 -1.898 0.295 7.789
88 HA CYS 17 HA CYS 17 -2.520 0.519 4.970
89 1HB CYS 17 2HB CYS 17 -3.774 -1.049 6.444
90 2HB CYS 17 1HB CYS 17 -4.423 0.341 7.308
91 H SER 18 H SER 18 -3.304 2.232 3.966
92 HA SER 18 HA SER 18 -4.174 4.583 5.457
93 1HB SER 18 2HB SER 18 -2.086 4.657 3.262
94 2HB SER 18 1HB SER 18 -2.767 6.060 4.084
95 HG SER 18 HG SER 18 -1.904 4.529 5.996
96 H TRP 19 H TRP 19 -5.970 3.112 4.542
97 HA TRP 19 HA TRP 19 -6.777 2.618 2.104
98 1HB TRP 19 2HB TRP 19 -8.115 2.663 4.373
99 2HB TRP 19 1HB TRP 19 -8.777 4.153 3.705
100 HD1 TRP 19 HD1 TRP 19 -8.842 0.381 3.250
101 HE1 TRP 19 HE1 TRP 19 -10.677 -0.242 1.558
102 HE3 TRP 19 HE3 TRP 19 -10.072 5.066 1.645
103 HZ2 TRP 19 HZ2 TRP 19 -12.421 1.082 -0.218
104 HZ3 TRP 19 HZ3 TRP 19 -11.840 5.308 -0.054
105 HH2 TRP 19 HH2 TRP 19 -12.989 3.354 -0.965
106 HA PRO 20 HA PRO 20 -7.486 2.409 0.543
107 1HB PRO 20 2HB PRO 20 -7.658 2.655 -2.075
108 2HB PRO 20 1HB PRO 20 -8.975 3.191 -1.032
109 1HG PRO 20 2HG PRO 20 -6.950 4.808 -2.491
110 2HG PRO 20 1HG PRO 20 -8.641 5.189 -2.127
111 1HD PRO 20 2HD PRO 20 -6.336 6.028 -0.683
112 2HD PRO 20 1HD PRO 20 -8.035 6.266 -0.226
113 H VAL 21 H VAL 21 -4.827 3.839 0.958
114 HA VAL 21 HA VAL 21 -3.296 2.150 -0.920
115 HB VAL 21 HB VAL 21 -1.447 3.854 -0.813
116 1HG1 VAL 21 1HG1 VAL 21 -3.896 5.007 -2.104
117 2HG1 VAL 21 2HG1 VAL 21 -3.163 3.515 -2.692
118 3HG1 VAL 21 3HG1 VAL 21 -2.231 5.011 -2.684
119 1HG2 VAL 21 1HG2 VAL 21 -2.646 6.238 -0.477
120 2HG2 VAL 21 2HG2 VAL 21 -1.758 5.400 0.796
121 3HG2 VAL 21 3HG2 VAL 21 -3.516 5.281 0.722
122 H CYS 22 H CYS 22 -0.893 2.022 -0.132
123 HA CYS 22 HA CYS 22 -0.983 1.407 2.753
124 1HB CYS 22 2HB CYS 22 0.446 -0.020 0.504
125 2HB CYS 22 1HB CYS 22 0.743 -0.348 2.210
126 H THR 23 H THR 23 0.745 1.951 4.035
127 HA THR 23 HA THR 23 2.980 3.384 2.774
128 HB THR 23 HB THR 23 2.916 5.044 4.661
129 HG1 THR 23 HG1 THR 23 0.225 4.642 5.137
130 1HG2 THR 23 1HG2 THR 23 1.299 4.963 2.315
131 2HG2 THR 23 2HG2 THR 23 1.961 6.370 3.146
132 3HG2 THR 23 3HG2 THR 23 0.374 5.746 3.596
133 H ARG 24 H ARG 24 4.855 3.569 4.193
134 HA ARG 24 HA ARG 24 4.886 1.926 6.574
135 1HB ARG 24 2HB ARG 24 5.349 0.335 4.692
136 2HB ARG 24 1HB ARG 24 6.763 1.297 4.285
137 1HG ARG 24 2HG ARG 24 7.844 0.742 6.315
138 2HG ARG 24 1HG ARG 24 6.367 0.050 6.990
139 1HD ARG 24 2HD ARG 24 7.852 -1.724 6.312
140 2HD ARG 24 1HD ARG 24 6.436 -1.708 5.264
141 HE ARG 24 HE ARG 24 8.443 -0.178 4.058
142 1HH1 ARG 24 1HH1 ARG 24 7.763 -3.509 4.895
143 2HH1 ARG 24 2HH1 ARG 24 8.735 -4.163 3.618
144 1HH2 ARG 24 1HH2 ARG 24 9.724 -1.038 2.358
145 2HH2 ARG 24 2HH2 ARG 24 9.852 -2.755 2.169
146 H ASN 25 H ASN 25 6.082 2.909 8.038
147 HA ASN 25 HA ASN 25 7.478 4.378 9.056
148 1HB ASN 25 2HB ASN 25 9.170 2.986 7.739
149 2HB ASN 25 1HB ASN 25 9.194 4.301 6.570
150 1HD2 ASN 25 1HD2 ASN 25 10.782 5.684 6.847
151 2HD2 ASN 25 2HD2 ASN 25 11.543 6.080 8.344
152 H GLY 26 H GLY 26 5.283 5.360 7.535
153 1HA GLY 26 2HA GLY 26 4.403 7.436 7.076
154 2HA GLY 26 1HA GLY 26 5.968 8.133 7.457
155 H LEU 27 H LEU 27 6.112 5.666 5.116
156 HA LEU 27 HA LEU 27 6.104 7.669 2.954
157 1HB LEU 27 2HB LEU 27 7.940 5.290 3.272
158 2HB LEU 27 1HB LEU 27 7.898 6.348 1.877
159 HG LEU 27 HG LEU 27 8.657 7.203 4.672
160 1HD1 LEU 27 1HD1 LEU 27 10.695 6.449 4.246
161 2HD1 LEU 27 2HD1 LEU 27 10.772 7.467 2.807
162 3HD1 LEU 27 3HD1 LEU 27 10.148 5.821 2.691
163 1HD2 LEU 27 1HD2 LEU 27 9.379 9.272 3.601
164 2HD2 LEU 27 2HD2 LEU 27 7.656 8.998 3.345
165 3HD2 LEU 27 3HD2 LEU 27 8.802 8.678 2.044
166 HA PRO 28 HA PRO 28 2.978 4.964 1.340
167 1HB PRO 28 2HB PRO 28 3.382 6.311 -1.215
168 2HB PRO 28 1HB PRO 28 1.956 6.280 -0.180
169 1HG PRO 28 2HG PRO 28 3.493 8.495 -0.489
170 2HG PRO 28 1HG PRO 28 2.598 8.139 0.997
171 1HD PRO 28 2HD PRO 28 5.509 7.831 0.416
172 2HD PRO 28 1HD PRO 28 4.699 8.307 1.922
173 H VAL 29 H VAL 29 2.937 3.112 0.228
174 HA VAL 29 HA VAL 29 5.438 2.238 -0.983
175 HB VAL 29 HB VAL 29 2.935 0.611 -0.433
176 1HG1 VAL 29 1HG1 VAL 29 5.656 -0.572 -0.667
177 2HG1 VAL 29 2HG1 VAL 29 4.842 -0.075 -2.150
178 3HG1 VAL 29 3HG1 VAL 29 4.084 -1.257 -1.081
179 1HG2 VAL 29 1HG2 VAL 29 4.685 -0.280 1.381
180 2HG2 VAL 29 2HG2 VAL 29 3.552 1.031 1.709
181 3HG2 VAL 29 3HG2 VAL 29 5.222 1.396 1.278
Start of MODEL 4
1 H ALA 1 H ALA 1 5.166 3.060 -3.349
2 HA ALA 1 HA ALA 1 2.892 3.783 -4.826
3 1HB ALA 1 1HB ALA 1 4.340 4.237 -6.482
4 2HB ALA 1 2HB ALA 1 5.138 2.669 -6.357
5 3HB ALA 1 3HB ALA 1 5.558 3.964 -5.236
6 H GLY 2 H GLY 2 1.373 2.642 -5.811
7 1HA GLY 2 2HA GLY 2 0.421 0.903 -7.033
8 2HA GLY 2 1HA GLY 2 1.887 -0.034 -6.796
9 H GLU 3 H GLU 3 1.866 0.368 -3.907
10 HA GLU 3 HA GLU 3 0.278 -1.888 -3.205
11 1HB GLU 3 2HB GLU 3 2.506 -1.153 -2.200
12 2HB GLU 3 1HB GLU 3 1.592 0.046 -1.307
13 1HG GLU 3 2HG GLU 3 1.960 -1.789 0.125
14 2HG GLU 3 1HG GLU 3 0.260 -1.804 -0.323
15 H THR 4 H THR 4 -1.853 -1.742 -3.061
16 HA THR 4 HA THR 4 -3.008 0.681 -1.894
17 HB THR 4 HB THR 4 -5.173 -0.171 -2.901
18 HG1 THR 4 HG1 THR 4 -3.431 -1.704 -4.552
19 1HG2 THR 4 1HG2 THR 4 -4.399 0.505 -5.278
20 2HG2 THR 4 2HG2 THR 4 -2.834 0.791 -4.515
21 3HG2 THR 4 3HG2 THR 4 -4.256 1.684 -3.973
22 H CYS 5 H CYS 5 -4.737 0.486 -0.413
23 HA CYS 5 HA CYS 5 -4.783 -2.100 0.999
24 1HB CYS 5 2HB CYS 5 -3.575 -0.196 2.193
25 2HB CYS 5 1HB CYS 5 -5.145 0.596 2.321
26 H VAL 6 H VAL 6 -6.526 -1.484 -1.060
27 HA VAL 6 HA VAL 6 -8.957 -0.327 -0.246
28 HB VAL 6 HB VAL 6 -8.641 -2.518 -2.301
29 1HG1 VAL 6 1HG1 VAL 6 -10.943 -1.495 -1.353
30 2HG1 VAL 6 2HG1 VAL 6 -10.737 -2.077 -3.004
31 3HG1 VAL 6 3HG1 VAL 6 -10.606 -0.354 -2.654
32 1HG2 VAL 6 1HG2 VAL 6 -8.357 0.466 -2.642
33 2HG2 VAL 6 2HG2 VAL 6 -8.374 -0.720 -3.948
34 3HG2 VAL 6 3HG2 VAL 6 -7.064 -0.726 -2.768
35 H GLY 7 H GLY 7 -7.752 -3.633 -0.082
36 1HA GLY 7 2HA GLY 7 -10.216 -4.619 1.100
37 2HA GLY 7 1HA GLY 7 -8.773 -5.547 0.747
38 H GLY 8 H GLY 8 -8.090 -2.714 2.355
39 1HA GLY 8 2HA GLY 8 -7.514 -2.184 4.524
40 2HA GLY 8 1HA GLY 8 -8.557 -3.496 5.042
41 H THR 9 H THR 9 -6.088 -4.225 2.812
42 HA THR 9 HA THR 9 -4.154 -5.003 4.822
43 HB THR 9 HB THR 9 -4.128 -7.333 3.508
44 HG1 THR 9 HG1 THR 9 -6.877 -6.557 3.540
45 1HG2 THR 9 1HG2 THR 9 -5.741 -8.166 5.367
46 2HG2 THR 9 2HG2 THR 9 -5.686 -6.494 5.925
47 3HG2 THR 9 3HG2 THR 9 -4.201 -7.440 5.827
48 H CYS 10 H CYS 10 -2.083 -5.331 3.986
49 HA CYS 10 HA CYS 10 -1.752 -4.586 1.156
50 1HB CYS 10 2HB CYS 10 0.352 -4.284 3.291
51 2HB CYS 10 1HB CYS 10 0.349 -3.594 1.681
52 H ASN 11 H ASN 11 0.305 -5.411 0.222
53 HA ASN 11 HA ASN 11 0.502 -8.285 0.689
54 1HB ASN 11 2HB ASN 11 1.905 -6.590 -1.397
55 2HB ASN 11 1HB ASN 11 1.730 -8.340 -1.402
56 1HD2 ASN 11 1HD2 ASN 11 0.483 -5.424 -2.481
57 2HD2 ASN 11 2HD2 ASN 11 -1.033 -6.012 -3.084
58 H THR 12 H THR 12 2.296 -5.329 0.864
59 HA THR 12 HA THR 12 4.864 -6.405 1.400
60 HB THR 12 HB THR 12 3.781 -3.685 2.162
61 HG1 THR 12 HG1 THR 12 3.503 -4.148 -0.089
62 1HG2 THR 12 1HG2 THR 12 6.206 -4.809 2.791
63 2HG2 THR 12 2HG2 THR 12 5.882 -3.078 2.678
64 3HG2 THR 12 3HG2 THR 12 6.565 -3.939 1.299
65 HA PRO 13 HA PRO 13 4.151 -7.652 5.622
66 1HB PRO 13 2HB PRO 13 7.071 -7.845 5.785
67 2HB PRO 13 1HB PRO 13 5.857 -9.116 5.942
68 1HG PRO 13 2HG PRO 13 7.496 -8.917 3.807
69 2HG PRO 13 1HG PRO 13 5.856 -9.574 3.694
70 1HD PRO 13 2HD PRO 13 6.883 -6.883 2.901
71 2HD PRO 13 1HD PRO 13 5.659 -7.902 2.119
72 H GLY 14 H GLY 14 3.995 -6.465 7.393
73 1HA GLY 14 2HA GLY 14 4.383 -4.853 8.987
74 2HA GLY 14 1HA GLY 14 6.006 -4.689 8.335
75 H ALA 15 H ALA 15 3.107 -4.243 6.419
76 HA ALA 15 HA ALA 15 3.876 -1.446 6.027
77 1HB ALA 15 1HB ALA 15 3.448 -1.839 3.886
78 2HB ALA 15 2HB ALA 15 1.762 -2.166 4.288
79 3HB ALA 15 3HB ALA 15 2.936 -3.482 4.275
80 H THR 16 H THR 16 2.499 0.224 6.415
81 HA THR 16 HA THR 16 0.263 -0.337 8.186
82 HB THR 16 HB THR 16 1.050 2.425 7.359
83 HG1 THR 16 HG1 THR 16 2.678 0.574 8.593
84 1HG2 THR 16 1HG2 THR 16 0.738 2.059 10.162
85 2HG2 THR 16 2HG2 THR 16 -0.593 1.235 9.350
86 3HG2 THR 16 3HG2 THR 16 -0.302 2.949 9.050
87 H CYS 17 H CYS 17 -1.842 0.417 7.770
88 HA CYS 17 HA CYS 17 -2.473 0.548 4.939
89 1HB CYS 17 2HB CYS 17 -3.726 -1.000 6.420
90 2HB CYS 17 1HB CYS 17 -4.355 0.390 7.299
91 H SER 18 H SER 18 -3.292 2.242 3.908
92 HA SER 18 HA SER 18 -4.152 4.612 5.367
93 1HB SER 18 2HB SER 18 -2.005 4.624 3.230
94 2HB SER 18 1HB SER 18 -2.730 6.063 3.944
95 HG SER 18 HG SER 18 -1.943 4.626 5.968
96 H TRP 19 H TRP 19 -5.957 3.166 4.459
97 HA TRP 19 HA TRP 19 -6.750 2.663 2.011
98 1HB TRP 19 2HB TRP 19 -8.098 2.739 4.284
99 2HB TRP 19 1HB TRP 19 -8.755 4.216 3.582
100 HD1 TRP 19 HD1 TRP 19 -8.797 0.434 3.182
101 HE1 TRP 19 HE1 TRP 19 -10.623 -0.224 1.493
102 HE3 TRP 19 HE3 TRP 19 -10.054 5.089 1.513
103 HZ2 TRP 19 HZ2 TRP 19 -12.369 1.066 -0.307
104 HZ3 TRP 19 HZ3 TRP 19 -11.817 5.297 -0.195
105 HH2 TRP 19 HH2 TRP 19 -12.950 3.324 -1.086
106 HA PRO 20 HA PRO 20 -7.504 2.459 0.459
107 1HB PRO 20 2HB PRO 20 -7.637 2.684 -2.163
108 2HB PRO 20 1HB PRO 20 -8.952 3.269 -1.143
109 1HG PRO 20 2HG PRO 20 -6.842 4.813 -2.569
110 2HG PRO 20 1HG PRO 20 -8.537 5.237 -2.274
111 1HD PRO 20 2HD PRO 20 -6.286 6.071 -0.767
112 2HD PRO 20 1HD PRO 20 -7.995 6.299 -0.343
113 H VAL 21 H VAL 21 -4.805 3.869 0.860
114 HA VAL 21 HA VAL 21 -3.308 2.086 -0.955
115 HB VAL 21 HB VAL 21 -1.418 3.720 -0.918
116 1HG1 VAL 21 1HG1 VAL 21 -3.743 3.677 -2.501
117 2HG1 VAL 21 2HG1 VAL 21 -2.145 4.278 -2.941
118 3HG1 VAL 21 3HG1 VAL 21 -3.339 5.375 -2.248
119 1HG2 VAL 21 1HG2 VAL 21 -1.483 5.594 0.269
120 2HG2 VAL 21 2HG2 VAL 21 -3.001 5.036 0.971
121 3HG2 VAL 21 3HG2 VAL 21 -3.018 6.065 -0.460
122 H CYS 22 H CYS 22 -0.870 2.052 -0.126
123 HA CYS 22 HA CYS 22 -1.016 1.403 2.748
124 1HB CYS 22 2HB CYS 22 0.461 0.034 0.498
125 2HB CYS 22 1HB CYS 22 0.794 -0.290 2.195
126 H THR 23 H THR 23 0.785 1.846 4.045
127 HA THR 23 HA THR 23 2.874 3.516 2.823
128 HB THR 23 HB THR 23 2.847 4.851 5.015
129 HG1 THR 23 HG1 THR 23 0.148 4.461 5.320
130 1HG2 THR 23 1HG2 THR 23 0.585 6.033 4.154
131 2HG2 THR 23 2HG2 THR 23 0.954 5.040 2.744
132 3HG2 THR 23 3HG2 THR 23 2.137 6.206 3.337
133 H ARG 24 H ARG 24 4.846 3.616 4.055
134 HA ARG 24 HA ARG 24 5.178 1.733 6.231
135 1HB ARG 24 2HB ARG 24 5.511 0.353 4.188
136 2HB ARG 24 1HB ARG 24 6.789 1.450 3.682
137 1HG ARG 24 2HG ARG 24 8.150 0.832 5.551
138 2HG ARG 24 1HG ARG 24 6.840 -0.122 6.246
139 1HD ARG 24 2HD ARG 24 8.483 -1.554 5.157
140 2HD ARG 24 1HD ARG 24 6.924 -1.642 4.339
141 HE ARG 24 HE ARG 24 8.437 0.305 3.046
142 1HH1 ARG 24 1HH1 ARG 24 8.558 -3.138 3.619
143 2HH1 ARG 24 2HH1 ARG 24 9.371 -3.496 2.131
144 1HH2 ARG 24 1HH2 ARG 24 9.519 -0.153 1.069
145 2HH2 ARG 24 2HH2 ARG 24 9.922 -1.790 0.677
146 H ASN 25 H ASN 25 6.587 2.531 7.652
147 HA ASN 25 HA ASN 25 8.023 3.957 8.673
148 1HB ASN 25 2HB ASN 25 9.570 2.806 6.994
149 2HB ASN 25 1HB ASN 25 9.420 4.261 6.013
150 1HD2 ASN 25 1HD2 ASN 25 11.005 5.653 6.278
151 2HD2 ASN 25 2HD2 ASN 25 11.928 5.887 7.717
152 H GLY 26 H GLY 26 5.632 5.037 7.527
153 1HA GLY 26 2HA GLY 26 4.674 7.128 7.496
154 2HA GLY 26 1HA GLY 26 6.265 7.816 7.762
155 H LEU 27 H LEU 27 6.020 5.714 5.043
156 HA LEU 27 HA LEU 27 5.506 7.997 3.278
157 1HB LEU 27 2HB LEU 27 7.339 7.347 1.787
158 2HB LEU 27 1HB LEU 27 7.914 7.832 3.366
159 HG LEU 27 HG LEU 27 7.831 5.182 3.755
160 1HD1 LEU 27 1HD1 LEU 27 7.103 4.417 1.678
161 2HD1 LEU 27 2HD1 LEU 27 8.852 4.204 1.617
162 3HD1 LEU 27 3HD1 LEU 27 8.101 5.573 0.796
163 1HD2 LEU 27 1HD2 LEU 27 10.056 6.676 2.376
164 2HD2 LEU 27 2HD2 LEU 27 10.223 5.163 3.267
165 3HD2 LEU 27 3HD2 LEU 27 9.752 6.637 4.113
166 HA PRO 28 HA PRO 28 2.685 5.178 1.470
167 1HB PRO 28 2HB PRO 28 2.882 6.718 -1.000
168 2HB PRO 28 1HB PRO 28 1.504 6.501 0.077
169 1HG PRO 28 2HG PRO 28 2.863 8.846 -0.134
170 2HG PRO 28 1HG PRO 28 2.028 8.332 1.341
171 1HD PRO 28 2HD PRO 28 4.938 8.326 0.712
172 2HD PRO 28 1HD PRO 28 4.113 8.582 2.260
173 H VAL 29 H VAL 29 2.721 3.416 0.254
174 HA VAL 29 HA VAL 29 5.174 2.833 -1.223
175 HB VAL 29 HB VAL 29 2.949 0.930 -0.400
176 1HG1 VAL 29 1HG1 VAL 29 4.522 -0.830 -0.951
177 2HG1 VAL 29 2HG1 VAL 29 5.755 0.358 -1.373
178 3HG1 VAL 29 3HG1 VAL 29 4.298 0.215 -2.356
179 1HG2 VAL 29 1HG2 VAL 29 4.261 2.046 1.470
180 2HG2 VAL 29 2HG2 VAL 29 5.668 1.168 0.869
181 3HG2 VAL 29 3HG2 VAL 29 4.256 0.283 1.448
Start of MODEL 5
1 H ALA 1 H ALA 1 5.858 1.794 -3.097
2 HA ALA 1 HA ALA 1 4.159 2.938 -5.000
3 1HB ALA 1 1HB ALA 1 6.759 2.337 -4.976
4 2HB ALA 1 2HB ALA 1 5.859 2.647 -6.461
5 3HB ALA 1 3HB ALA 1 6.167 0.988 -5.947
6 H GLY 2 H GLY 2 2.381 2.209 -5.867
7 1HA GLY 2 2HA GLY 2 0.837 0.831 -6.844
8 2HA GLY 2 1HA GLY 2 2.124 -0.345 -7.049
9 H GLU 3 H GLU 3 1.363 0.795 -3.852
10 HA GLU 3 HA GLU 3 0.125 -1.821 -3.305
11 1HB GLU 3 2HB GLU 3 2.322 -1.347 -2.187
12 2HB GLU 3 1HB GLU 3 1.548 -0.021 -1.343
13 1HG GLU 3 2HG GLU 3 1.597 -1.822 0.153
14 2HG GLU 3 1HG GLU 3 -0.066 -1.692 -0.410
15 H THR 4 H THR 4 -1.978 -1.687 -3.029
16 HA THR 4 HA THR 4 -3.096 0.772 -1.881
17 HB THR 4 HB THR 4 -5.267 0.039 -2.833
18 HG1 THR 4 HG1 THR 4 -3.936 -2.229 -3.239
19 1HG2 THR 4 1HG2 THR 4 -3.320 0.120 -5.103
20 2HG2 THR 4 2HG2 THR 4 -3.449 1.504 -4.019
21 3HG2 THR 4 3HG2 THR 4 -4.863 0.954 -4.918
22 H CYS 5 H CYS 5 -4.758 0.609 -0.329
23 HA CYS 5 HA CYS 5 -4.791 -1.974 1.090
24 1HB CYS 5 2HB CYS 5 -3.564 -0.067 2.257
25 2HB CYS 5 1HB CYS 5 -5.131 0.726 2.411
26 H VAL 6 H VAL 6 -6.581 -1.382 -0.936
27 HA VAL 6 HA VAL 6 -8.995 -0.223 -0.074
28 HB VAL 6 HB VAL 6 -8.720 -2.425 -2.121
29 1HG1 VAL 6 1HG1 VAL 6 -10.671 -0.741 -2.997
30 2HG1 VAL 6 2HG1 VAL 6 -10.911 -0.691 -1.250
31 3HG1 VAL 6 3HG1 VAL 6 -10.953 -2.235 -2.103
32 1HG2 VAL 6 1HG2 VAL 6 -8.810 0.425 -2.931
33 2HG2 VAL 6 2HG2 VAL 6 -8.013 -0.948 -3.700
34 3HG2 VAL 6 3HG2 VAL 6 -7.289 -0.190 -2.281
35 H GLY 7 H GLY 7 -7.780 -3.525 0.076
36 1HA GLY 7 2HA GLY 7 -10.212 -4.497 1.344
37 2HA GLY 7 1HA GLY 7 -8.796 -5.438 0.924
38 H GLY 8 H GLY 8 -8.034 -2.612 2.522
39 1HA GLY 8 2HA GLY 8 -7.333 -2.108 4.658
40 2HA GLY 8 1HA GLY 8 -8.387 -3.391 5.219
41 H THR 9 H THR 9 -5.974 -4.093 2.898
42 HA THR 9 HA THR 9 -4.032 -4.999 4.849
43 HB THR 9 HB THR 9 -4.070 -7.261 3.410
44 HG1 THR 9 HG1 THR 9 -6.810 -6.468 3.567
45 1HG2 THR 9 1HG2 THR 9 -5.375 -6.460 5.949
46 2HG2 THR 9 2HG2 THR 9 -4.127 -7.669 5.648
47 3HG2 THR 9 3HG2 THR 9 -5.814 -8.034 5.285
48 H CYS 10 H CYS 10 -1.975 -5.345 3.971
49 HA CYS 10 HA CYS 10 -1.661 -4.555 1.149
50 1HB CYS 10 2HB CYS 10 0.469 -4.144 3.227
51 2HB CYS 10 1HB CYS 10 0.333 -3.407 1.645
52 H ASN 11 H ASN 11 0.350 -5.354 0.181
53 HA ASN 11 HA ASN 11 0.713 -8.182 0.791
54 1HB ASN 11 2HB ASN 11 1.796 -6.476 -1.473
55 2HB ASN 11 1HB ASN 11 1.952 -8.225 -1.349
56 1HD2 ASN 11 1HD2 ASN 11 0.042 -5.634 -2.401
57 2HD2 ASN 11 2HD2 ASN 11 -1.336 -6.556 -2.905
58 H THR 12 H THR 12 2.392 -5.147 0.747
59 HA THR 12 HA THR 12 5.021 -6.097 1.203
60 HB THR 12 HB THR 12 3.873 -3.399 1.945
61 HG1 THR 12 HG1 THR 12 3.479 -3.955 -0.277
62 1HG2 THR 12 1HG2 THR 12 6.016 -2.610 2.102
63 2HG2 THR 12 2HG2 THR 12 6.652 -3.796 0.961
64 3HG2 THR 12 3HG2 THR 12 6.290 -4.274 2.620
65 HA PRO 13 HA PRO 13 4.552 -7.263 5.480
66 1HB PRO 13 2HB PRO 13 7.486 -7.292 5.512
67 2HB PRO 13 1HB PRO 13 6.351 -8.617 5.773
68 1HG PRO 13 2HG PRO 13 7.864 -8.422 3.553
69 2HG PRO 13 1HG PRO 13 6.247 -9.144 3.541
70 1HD PRO 13 2HD PRO 13 7.125 -6.438 2.626
71 2HD PRO 13 1HD PRO 13 5.913 -7.530 1.926
72 H GLY 14 H GLY 14 4.411 -6.060 7.242
73 1HA GLY 14 2HA GLY 14 4.791 -4.414 8.802
74 2HA GLY 14 1HA GLY 14 6.362 -4.156 8.059
75 H ALA 15 H ALA 15 3.423 -3.918 6.195
76 HA ALA 15 HA ALA 15 3.962 -1.066 5.831
77 1HB ALA 15 1HB ALA 15 3.240 -3.115 4.050
78 2HB ALA 15 2HB ALA 15 3.427 -1.396 3.701
79 3HB ALA 15 3HB ALA 15 1.847 -2.038 4.156
80 H THR 16 H THR 16 2.555 0.486 6.422
81 HA THR 16 HA THR 16 0.338 -0.300 8.127
82 HB THR 16 HB THR 16 1.050 2.544 7.530
83 HG1 THR 16 HG1 THR 16 2.633 0.631 8.821
84 1HG2 THR 16 1HG2 THR 16 -0.751 2.447 8.990
85 2HG2 THR 16 2HG2 THR 16 0.615 2.575 10.099
86 3HG2 THR 16 3HG2 THR 16 -0.141 1.009 9.806
87 H CYS 17 H CYS 17 -1.785 0.436 7.780
88 HA CYS 17 HA CYS 17 -2.469 0.655 4.982
89 1HB CYS 17 2HB CYS 17 -3.709 -0.865 6.518
90 2HB CYS 17 1HB CYS 17 -4.316 0.552 7.371
91 H SER 18 H SER 18 -3.285 2.355 3.968
92 HA SER 18 HA SER 18 -4.088 4.743 5.428
93 1HB SER 18 2HB SER 18 -2.022 4.765 3.211
94 2HB SER 18 1HB SER 18 -2.674 6.185 4.027
95 HG SER 18 HG SER 18 -1.808 4.663 5.944
96 H TRP 19 H TRP 19 -5.907 3.276 4.551
97 HA TRP 19 HA TRP 19 -6.741 2.760 2.125
98 1HB TRP 19 2HB TRP 19 -8.054 2.849 4.411
99 2HB TRP 19 1HB TRP 19 -8.717 4.328 3.719
100 HD1 TRP 19 HD1 TRP 19 -8.785 0.548 3.328
101 HE1 TRP 19 HE1 TRP 19 -10.641 -0.105 1.669
102 HE3 TRP 19 HE3 TRP 19 -10.045 5.206 1.663
103 HZ2 TRP 19 HZ2 TRP 19 -12.408 1.187 -0.108
104 HZ3 TRP 19 HZ3 TRP 19 -11.833 5.416 -0.019
105 HH2 TRP 19 HH2 TRP 19 -12.989 3.445 -0.884
106 HA PRO 20 HA PRO 20 -7.485 2.539 0.577
107 1HB PRO 20 2HB PRO 20 -7.674 2.749 -2.041
108 2HB PRO 20 1HB PRO 20 -8.974 3.325 -0.999
109 1HG PRO 20 2HG PRO 20 -6.920 4.884 -2.484
110 2HG PRO 20 1HG PRO 20 -8.608 5.296 -2.138
111 1HD PRO 20 2HD PRO 20 -6.310 6.139 -0.699
112 2HD PRO 20 1HD PRO 20 -8.008 6.381 -0.240
113 H VAL 21 H VAL 21 -4.799 3.956 0.940
114 HA VAL 21 HA VAL 21 -3.308 2.208 -0.917
115 HB VAL 21 HB VAL 21 -1.436 3.892 -0.848
116 1HG1 VAL 21 1HG1 VAL 21 -3.980 4.832 -2.166
117 2HG1 VAL 21 2HG1 VAL 21 -2.940 3.551 -2.788
118 3HG1 VAL 21 3HG1 VAL 21 -2.329 5.201 -2.664
119 1HG2 VAL 21 1HG2 VAL 21 -2.751 6.280 -0.559
120 2HG2 VAL 21 2HG2 VAL 21 -1.666 5.551 0.626
121 3HG2 VAL 21 3HG2 VAL 21 -3.408 5.309 0.759
122 H CYS 22 H CYS 22 -0.889 2.087 -0.138
123 HA CYS 22 HA CYS 22 -0.970 1.534 2.761
124 1HB CYS 22 2HB CYS 22 0.368 0.005 0.528
125 2HB CYS 22 1HB CYS 22 0.735 -0.264 2.230
126 H THR 23 H THR 23 0.734 2.141 4.017
127 HA THR 23 HA THR 23 2.993 3.472 2.682
128 HB THR 23 HB THR 23 3.004 5.146 4.556
129 HG1 THR 23 HG1 THR 23 0.324 4.796 5.106
130 1HG2 THR 23 1HG2 THR 23 2.054 6.448 3.019
131 2HG2 THR 23 2HG2 THR 23 0.467 5.911 3.572
132 3HG2 THR 23 3HG2 THR 23 1.286 5.048 2.270
133 H ARG 24 H ARG 24 4.951 2.890 3.473
134 HA ARG 24 HA ARG 24 4.969 1.087 5.782
135 1HB ARG 24 2HB ARG 24 5.994 0.271 3.679
136 2HB ARG 24 1HB ARG 24 7.120 1.621 3.719
137 1HG ARG 24 2HG ARG 24 8.005 0.768 5.866
138 2HG ARG 24 1HG ARG 24 6.939 -0.631 5.709
139 1HD ARG 24 2HD ARG 24 9.213 -1.129 4.939
140 2HD ARG 24 1HD ARG 24 8.034 -1.263 3.635
141 HE ARG 24 HE ARG 24 9.169 0.364 2.528
142 1HH1 ARG 24 1HH1 ARG 24 9.993 0.620 5.921
143 2HH1 ARG 24 2HH1 ARG 24 11.095 1.935 5.690
144 1HH2 ARG 24 1HH2 ARG 24 10.626 2.102 2.214
145 2HH2 ARG 24 2HH2 ARG 24 11.454 2.782 3.574
146 H ASN 25 H ASN 25 5.185 2.182 7.605
147 HA ASN 25 HA ASN 25 5.972 3.585 9.206
148 1HB ASN 25 2HB ASN 25 8.163 2.451 8.489
149 2HB ASN 25 1HB ASN 25 8.486 3.912 7.561
150 1HD2 ASN 25 1HD2 ASN 25 9.639 5.401 8.564
151 2HD2 ASN 25 2HD2 ASN 25 9.773 5.601 10.273
152 H GLY 26 H GLY 26 4.370 4.610 7.150
153 1HA GLY 26 2HA GLY 26 3.528 6.766 6.819
154 2HA GLY 26 1HA GLY 26 5.059 7.425 7.370
155 H LEU 27 H LEU 27 6.192 5.308 5.276
156 HA LEU 27 HA LEU 27 6.172 7.264 3.098
157 1HB LEU 27 2HB LEU 27 7.922 4.841 3.524
158 2HB LEU 27 1HB LEU 27 8.089 5.997 2.217
159 HG LEU 27 HG LEU 27 8.461 6.617 5.150
160 1HD1 LEU 27 1HD1 LEU 27 10.351 5.937 2.939
161 2HD1 LEU 27 2HD1 LEU 27 10.336 5.382 4.612
162 3HD1 LEU 27 3HD1 LEU 27 10.856 7.024 4.232
163 1HD2 LEU 27 1HD2 LEU 27 8.806 8.305 2.676
164 2HD2 LEU 27 2HD2 LEU 27 9.388 8.753 4.279
165 3HD2 LEU 27 3HD2 LEU 27 7.658 8.560 3.991
166 HA PRO 28 HA PRO 28 2.977 4.795 1.158
167 1HB PRO 28 2HB PRO 28 3.525 6.046 -1.327
168 2HB PRO 28 1HB PRO 28 2.202 6.368 -0.210
169 1HG PRO 28 2HG PRO 28 4.722 7.837 -0.617
170 2HG PRO 28 1HG PRO 28 3.194 8.402 0.075
171 1HD PRO 28 2HD PRO 28 5.438 7.938 1.552
172 2HD PRO 28 1HD PRO 28 3.794 7.790 2.202
173 H VAL 29 H VAL 29 2.974 2.981 0.100
174 HA VAL 29 HA VAL 29 5.503 2.010 -0.992
175 HB VAL 29 HB VAL 29 2.941 0.465 -0.478
176 1HG1 VAL 29 1HG1 VAL 29 4.107 -0.825 -2.009
177 2HG1 VAL 29 2HG1 VAL 29 4.729 -1.439 -0.476
178 3HG1 VAL 29 3HG1 VAL 29 5.682 -0.292 -1.419
179 1HG2 VAL 29 1HG2 VAL 29 4.278 -0.460 1.459
180 2HG2 VAL 29 2HG2 VAL 29 3.718 1.204 1.630
181 3HG2 VAL 29 3HG2 VAL 29 5.400 0.878 1.210
Start of MODEL 6
1 H ALA 1 H ALA 1 4.924 3.271 -3.468
2 HA ALA 1 HA ALA 1 2.520 3.912 -4.831
3 1HB ALA 1 1HB ALA 1 5.365 3.552 -5.578
4 2HB ALA 1 2HB ALA 1 4.272 4.902 -5.884
5 3HB ALA 1 3HB ALA 1 4.165 3.442 -6.865
6 H GLY 2 H GLY 2 1.086 2.651 -5.812
7 1HA GLY 2 2HA GLY 2 0.305 0.835 -7.064
8 2HA GLY 2 1HA GLY 2 1.825 0.005 -6.766
9 H GLU 3 H GLU 3 1.791 0.389 -3.928
10 HA GLU 3 HA GLU 3 0.254 -1.892 -3.183
11 1HB GLU 3 2HB GLU 3 2.481 -1.077 -2.204
12 2HB GLU 3 1HB GLU 3 1.529 0.086 -1.301
13 1HG GLU 3 2HG GLU 3 1.885 -1.674 0.172
14 2HG GLU 3 1HG GLU 3 0.235 -1.894 -0.401
15 H THR 4 H THR 4 -1.893 -1.759 -3.040
16 HA THR 4 HA THR 4 -3.054 0.668 -1.879
17 HB THR 4 HB THR 4 -5.218 -0.184 -2.876
18 HG1 THR 4 HG1 THR 4 -3.480 -1.753 -4.502
19 1HG2 THR 4 1HG2 THR 4 -4.850 0.948 -4.873
20 2HG2 THR 4 2HG2 THR 4 -3.203 0.340 -5.032
21 3HG2 THR 4 3HG2 THR 4 -3.572 1.583 -3.837
22 H CYS 5 H CYS 5 -4.763 0.486 -0.388
23 HA CYS 5 HA CYS 5 -4.810 -2.092 1.039
24 1HB CYS 5 2HB CYS 5 -3.612 -0.175 2.219
25 2HB CYS 5 1HB CYS 5 -5.180 0.617 2.335
26 H VAL 6 H VAL 6 -6.549 -1.466 -1.036
27 HA VAL 6 HA VAL 6 -8.992 -0.338 -0.208
28 HB VAL 6 HB VAL 6 -8.656 -2.489 -2.300
29 1HG1 VAL 6 1HG1 VAL 6 -10.666 -1.647 -3.269
30 2HG1 VAL 6 2HG1 VAL 6 -10.708 -0.292 -2.140
31 3HG1 VAL 6 3HG1 VAL 6 -10.976 -1.935 -1.557
32 1HG2 VAL 6 1HG2 VAL 6 -8.797 0.275 -3.227
33 2HG2 VAL 6 2HG2 VAL 6 -7.724 -1.033 -3.723
34 3HG2 VAL 6 3HG2 VAL 6 -7.346 -0.079 -2.289
35 H GLY 7 H GLY 7 -7.759 -3.636 -0.113
36 1HA GLY 7 2HA GLY 7 -10.209 -4.688 1.013
37 2HA GLY 7 1HA GLY 7 -8.731 -5.579 0.706
38 H GLY 8 H GLY 8 -7.937 -2.840 2.289
39 1HA GLY 8 2HA GLY 8 -7.565 -2.261 4.504
40 2HA GLY 8 1HA GLY 8 -8.553 -3.628 4.980
41 H THR 9 H THR 9 -6.096 -4.424 2.809
42 HA THR 9 HA THR 9 -4.114 -5.000 4.860
43 HB THR 9 HB THR 9 -3.897 -7.374 3.966
44 HG1 THR 9 HG1 THR 9 -5.450 -6.819 2.178
45 1HG2 THR 9 1HG2 THR 9 -4.707 -7.607 6.053
46 2HG2 THR 9 2HG2 THR 9 -6.236 -7.955 5.246
47 3HG2 THR 9 3HG2 THR 9 -5.901 -6.328 5.838
48 H CYS 10 H CYS 10 -2.048 -5.124 4.068
49 HA CYS 10 HA CYS 10 -1.717 -4.600 1.191
50 1HB CYS 10 2HB CYS 10 0.387 -4.143 3.295
51 2HB CYS 10 1HB CYS 10 0.322 -3.493 1.668
52 H ASN 11 H ASN 11 0.380 -5.433 0.312
53 HA ASN 11 HA ASN 11 0.638 -8.262 1.006
54 1HB ASN 11 2HB ASN 11 0.341 -7.751 -1.353
55 2HB ASN 11 1HB ASN 11 1.692 -6.622 -1.316
56 1HD2 ASN 11 1HD2 ASN 11 3.501 -7.366 -2.113
57 2HD2 ASN 11 2HD2 ASN 11 3.989 -9.022 -2.173
58 H THR 12 H THR 12 2.369 -5.256 0.954
59 HA THR 12 HA THR 12 4.977 -6.206 1.458
60 HB THR 12 HB THR 12 3.774 -3.555 2.285
61 HG1 THR 12 HG1 THR 12 3.528 -3.998 0.025
62 1HG2 THR 12 1HG2 THR 12 5.864 -2.792 2.715
63 2HG2 THR 12 2HG2 THR 12 6.596 -3.770 1.442
64 3HG2 THR 12 3HG2 THR 12 6.201 -4.500 2.998
65 HA PRO 13 HA PRO 13 4.437 -7.654 5.637
66 1HB PRO 13 2HB PRO 13 7.107 -7.805 6.257
67 2HB PRO 13 1HB PRO 13 6.220 -9.047 5.367
68 1HG PRO 13 2HG PRO 13 7.994 -6.878 4.337
69 2HG PRO 13 1HG PRO 13 7.846 -8.561 3.808
70 1HD PRO 13 2HD PRO 13 6.717 -6.528 2.445
71 2HD PRO 13 1HD PRO 13 5.965 -8.135 2.538
72 H GLY 14 H GLY 14 3.999 -6.535 7.362
73 1HA GLY 14 2HA GLY 14 4.049 -4.960 9.029
74 2HA GLY 14 1HA GLY 14 5.735 -4.687 8.614
75 H ALA 15 H ALA 15 3.095 -4.281 6.343
76 HA ALA 15 HA ALA 15 3.851 -1.491 6.022
77 1HB ALA 15 1HB ALA 15 3.236 -1.737 3.898
78 2HB ALA 15 2HB ALA 15 1.653 -2.366 4.355
79 3HB ALA 15 3HB ALA 15 3.036 -3.455 4.244
80 H THR 16 H THR 16 2.504 0.233 6.335
81 HA THR 16 HA THR 16 0.286 -0.216 8.164
82 HB THR 16 HB THR 16 1.101 2.497 7.220
83 HG1 THR 16 HG1 THR 16 2.675 0.680 8.655
84 1HG2 THR 16 1HG2 THR 16 -0.644 1.554 9.135
85 2HG2 THR 16 2HG2 THR 16 -0.004 3.195 9.042
86 3HG2 THR 16 3HG2 THR 16 0.781 1.999 10.074
87 H CYS 17 H CYS 17 -1.810 0.524 7.743
88 HA CYS 17 HA CYS 17 -2.474 0.601 4.916
89 1HB CYS 17 2HB CYS 17 -3.708 -0.934 6.423
90 2HB CYS 17 1HB CYS 17 -4.322 0.461 7.305
91 H SER 18 H SER 18 -3.300 2.285 3.871
92 HA SER 18 HA SER 18 -4.147 4.668 5.318
93 1HB SER 18 2HB SER 18 -2.043 4.677 3.138
94 2HB SER 18 1HB SER 18 -2.735 6.110 3.896
95 HG SER 18 HG SER 18 -1.914 4.669 5.885
96 H TRP 19 H TRP 19 -5.956 3.200 4.441
97 HA TRP 19 HA TRP 19 -6.778 2.681 2.007
98 1HB TRP 19 2HB TRP 19 -8.098 2.762 4.295
99 2HB TRP 19 1HB TRP 19 -8.773 4.230 3.593
100 HD1 TRP 19 HD1 TRP 19 -8.793 0.447 3.216
101 HE1 TRP 19 HE1 TRP 19 -10.633 -0.235 1.552
102 HE3 TRP 19 HE3 TRP 19 -10.107 5.083 1.534
103 HZ2 TRP 19 HZ2 TRP 19 -12.410 1.030 -0.235
104 HZ3 TRP 19 HZ3 TRP 19 -11.891 5.266 -0.154
105 HH2 TRP 19 HH2 TRP 19 -13.018 3.279 -1.020
106 HA PRO 20 HA PRO 20 -7.554 2.464 0.468
107 1HB PRO 20 2HB PRO 20 -7.711 2.671 -2.157
108 2HB PRO 20 1HB PRO 20 -9.021 3.250 -1.126
109 1HG PRO 20 2HG PRO 20 -6.942 4.806 -2.583
110 2HG PRO 20 1HG PRO 20 -8.636 5.217 -2.268
111 1HD PRO 20 2HD PRO 20 -6.372 6.075 -0.796
112 2HD PRO 20 1HD PRO 20 -8.076 6.294 -0.351
113 H VAL 21 H VAL 21 -4.855 3.924 0.807
114 HA VAL 21 HA VAL 21 -3.370 2.129 -1.006
115 HB VAL 21 HB VAL 21 -1.481 3.766 -0.973
116 1HG1 VAL 21 1HG1 VAL 21 -2.584 3.732 -2.997
117 2HG1 VAL 21 2HG1 VAL 21 -2.759 5.424 -2.534
118 3HG1 VAL 21 3HG1 VAL 21 -4.101 4.302 -2.302
119 1HG2 VAL 21 1HG2 VAL 21 -3.506 5.813 -0.121
120 2HG2 VAL 21 2HG2 VAL 21 -1.758 5.989 -0.280
121 3HG2 VAL 21 3HG2 VAL 21 -2.431 5.022 1.032
122 H CYS 22 H CYS 22 -0.920 2.124 -0.179
123 HA CYS 22 HA CYS 22 -1.054 1.465 2.691
124 1HB CYS 22 2HB CYS 22 0.375 0.075 0.430
125 2HB CYS 22 1HB CYS 22 0.745 -0.240 2.120
126 H THR 23 H THR 23 0.790 1.833 3.956
127 HA THR 23 HA THR 23 2.852 3.534 2.732
128 HB THR 23 HB THR 23 2.886 4.750 5.008
129 HG1 THR 23 HG1 THR 23 0.174 4.384 5.269
130 1HG2 THR 23 1HG2 THR 23 1.283 5.152 2.642
131 2HG2 THR 23 2HG2 THR 23 2.119 6.338 3.643
132 3HG2 THR 23 3HG2 THR 23 0.483 5.827 4.061
133 H ARG 24 H ARG 24 4.888 3.510 3.817
134 HA ARG 24 HA ARG 24 5.286 1.421 5.821
135 1HB ARG 24 2HB ARG 24 5.647 0.512 3.458
136 2HB ARG 24 1HB ARG 24 7.026 1.593 3.359
137 1HG ARG 24 2HG ARG 24 7.724 -0.650 3.937
138 2HG ARG 24 1HG ARG 24 8.054 0.469 5.263
139 1HD ARG 24 2HD ARG 24 6.320 -0.365 6.564
140 2HD ARG 24 1HD ARG 24 5.500 -1.087 5.182
141 HE ARG 24 HE ARG 24 6.677 -2.980 5.554
142 1HH1 ARG 24 1HH1 ARG 24 8.483 -0.355 7.019
143 2HH1 ARG 24 2HH1 ARG 24 9.682 -1.396 7.704
144 1HH2 ARG 24 1HH2 ARG 24 8.235 -4.349 6.462
145 2HH2 ARG 24 2HH2 ARG 24 9.545 -3.682 7.383
146 H ASN 25 H ASN 25 6.495 2.216 7.398
147 HA ASN 25 HA ASN 25 7.853 3.568 8.616
148 1HB ASN 25 2HB ASN 25 9.502 2.507 6.953
149 2HB ASN 25 1HB ASN 25 9.454 4.049 6.105
150 1HD2 ASN 25 1HD2 ASN 25 11.010 5.396 6.634
151 2HD2 ASN 25 2HD2 ASN 25 11.829 5.463 8.152
152 H GLY 26 H GLY 26 5.562 4.763 7.536
153 1HA GLY 26 2HA GLY 26 4.620 6.858 7.496
154 2HA GLY 26 1HA GLY 26 6.201 7.516 7.879
155 H LEU 27 H LEU 27 6.085 5.515 5.095
156 HA LEU 27 HA LEU 27 5.893 7.890 3.357
157 1HB LEU 27 2HB LEU 27 7.815 5.571 3.090
158 2HB LEU 27 1HB LEU 27 7.614 6.847 1.906
159 HG LEU 27 HG LEU 27 8.588 7.265 4.735
160 1HD1 LEU 27 1HD1 LEU 27 10.416 6.257 3.843
161 2HD1 LEU 27 2HD1 LEU 27 10.693 7.891 3.240
162 3HD1 LEU 27 3HD1 LEU 27 9.977 6.672 2.187
163 1HD2 LEU 27 1HD2 LEU 27 7.441 9.210 3.788
164 2HD2 LEU 27 2HD2 LEU 27 8.491 9.140 2.373
165 3HD2 LEU 27 3HD2 LEU 27 9.173 9.500 3.959
166 HA PRO 28 HA PRO 28 2.705 5.457 1.476
167 1HB PRO 28 2HB PRO 28 3.078 7.085 -0.918
168 2HB PRO 28 1HB PRO 28 1.666 6.935 0.126
169 1HG PRO 28 2HG PRO 28 3.216 9.165 0.061
170 2HG PRO 28 1HG PRO 28 2.330 8.641 1.502
171 1HD PRO 28 2HD PRO 28 5.235 8.422 0.878
172 2HD PRO 28 1HD PRO 28 4.427 8.669 2.439
173 H VAL 29 H VAL 29 2.620 3.731 0.202
174 HA VAL 29 HA VAL 29 5.024 3.081 -1.348
175 HB VAL 29 HB VAL 29 2.830 1.187 -0.431
176 1HG1 VAL 29 1HG1 VAL 29 4.220 -0.568 -1.154
177 2HG1 VAL 29 2HG1 VAL 29 5.623 0.488 -1.314
178 3HG1 VAL 29 3HG1 VAL 29 4.289 0.613 -2.461
179 1HG2 VAL 29 1HG2 VAL 29 3.754 1.666 1.590
180 2HG2 VAL 29 2HG2 VAL 29 5.292 2.178 0.897
181 3HG2 VAL 29 3HG2 VAL 29 4.923 0.461 1.047
Start of MODEL 7
1 H ALA 1 H ALA 1 5.189 2.828 -3.313
2 HA ALA 1 HA ALA 1 2.926 3.495 -4.839
3 1HB ALA 1 1HB ALA 1 5.127 4.195 -5.517
4 2HB ALA 1 2HB ALA 1 4.415 3.202 -6.789
5 3HB ALA 1 3HB ALA 1 5.638 2.519 -5.717
6 H GLY 2 H GLY 2 1.445 2.315 -5.846
7 1HA GLY 2 2HA GLY 2 0.599 0.511 -7.078
8 2HA GLY 2 1HA GLY 2 2.002 -0.437 -6.611
9 H GLU 3 H GLU 3 1.733 0.134 -3.783
10 HA GLU 3 HA GLU 3 -0.042 -1.986 -3.117
11 1HB GLU 3 2HB GLU 3 1.583 -0.067 -1.477
12 2HB GLU 3 1HB GLU 3 0.485 -1.227 -0.740
13 1HG GLU 3 2HG GLU 3 2.577 -2.089 -2.658
14 2HG GLU 3 1HG GLU 3 2.948 -1.845 -0.956
15 H THR 4 H THR 4 -2.121 -1.891 -2.807
16 HA THR 4 HA THR 4 -3.274 0.654 -1.925
17 HB THR 4 HB THR 4 -5.435 -0.186 -2.891
18 HG1 THR 4 HG1 THR 4 -3.749 -1.922 -4.400
19 1HG2 THR 4 1HG2 THR 4 -4.721 0.336 -5.289
20 2HG2 THR 4 2HG2 THR 4 -3.086 0.492 -4.648
21 3HG2 THR 4 3HG2 THR 4 -4.366 1.556 -4.067
22 H CYS 5 H CYS 5 -4.870 0.568 -0.358
23 HA CYS 5 HA CYS 5 -4.969 -1.987 1.104
24 1HB CYS 5 2HB CYS 5 -3.682 -0.094 2.220
25 2HB CYS 5 1HB CYS 5 -5.224 0.742 2.379
26 H VAL 6 H VAL 6 -6.745 -1.375 -0.924
27 HA VAL 6 HA VAL 6 -9.148 -0.190 -0.030
28 HB VAL 6 HB VAL 6 -8.886 -2.341 -2.136
29 1HG1 VAL 6 1HG1 VAL 6 -11.184 -1.695 -1.261
30 2HG1 VAL 6 2HG1 VAL 6 -10.936 -1.589 -3.004
31 3HG1 VAL 6 3HG1 VAL 6 -10.911 -0.126 -2.020
32 1HG2 VAL 6 1HG2 VAL 6 -7.330 -0.446 -2.513
33 2HG2 VAL 6 2HG2 VAL 6 -8.715 0.645 -2.518
34 3HG2 VAL 6 3HG2 VAL 6 -8.566 -0.596 -3.763
35 H GLY 7 H GLY 7 -7.939 -3.495 0.010
36 1HA GLY 7 2HA GLY 7 -10.352 -4.474 1.326
37 2HA GLY 7 1HA GLY 7 -8.989 -5.432 0.783
38 H GLY 8 H GLY 8 -8.045 -2.712 2.453
39 1HA GLY 8 2HA GLY 8 -7.182 -2.329 4.553
40 2HA GLY 8 1HA GLY 8 -8.282 -3.563 5.132
41 H THR 9 H THR 9 -5.908 -4.164 2.700
42 HA THR 9 HA THR 9 -4.042 -5.376 4.558
43 HB THR 9 HB THR 9 -4.164 -7.440 2.830
44 HG1 THR 9 HG1 THR 9 -6.873 -6.595 3.157
45 1HG2 THR 9 1HG2 THR 9 -4.167 -7.759 5.200
46 2HG2 THR 9 2HG2 THR 9 -5.568 -8.610 4.550
47 3HG2 THR 9 3HG2 THR 9 -5.776 -7.052 5.350
48 H CYS 10 H CYS 10 -1.987 -5.732 3.670
49 HA CYS 10 HA CYS 10 -1.569 -4.716 0.936
50 1HB CYS 10 2HB CYS 10 0.381 -4.320 3.199
51 2HB CYS 10 1HB CYS 10 0.438 -3.608 1.600
52 H ASN 11 H ASN 11 0.596 -5.361 0.100
53 HA ASN 11 HA ASN 11 0.973 -8.221 0.551
54 1HB ASN 11 2HB ASN 11 2.121 -6.342 -1.534
55 2HB ASN 11 1HB ASN 11 2.416 -8.077 -1.477
56 1HD2 ASN 11 1HD2 ASN 11 0.400 -5.608 -2.586
57 2HD2 ASN 11 2HD2 ASN 11 -0.870 -6.609 -3.216
58 H THR 12 H THR 12 2.548 -5.149 0.877
59 HA THR 12 HA THR 12 5.168 -6.081 1.457
60 HB THR 12 HB THR 12 3.918 -3.484 2.376
61 HG1 THR 12 HG1 THR 12 3.630 -3.773 0.106
62 1HG2 THR 12 1HG2 THR 12 5.981 -2.836 2.962
63 2HG2 THR 12 2HG2 THR 12 6.686 -3.464 1.474
64 3HG2 THR 12 3HG2 THR 12 6.431 -4.538 2.850
65 HA PRO 13 HA PRO 13 4.338 -7.658 5.546
66 1HB PRO 13 2HB PRO 13 7.257 -7.656 5.845
67 2HB PRO 13 1HB PRO 13 6.128 -9.011 5.892
68 1HG PRO 13 2HG PRO 13 7.826 -8.608 3.842
69 2HG PRO 13 1HG PRO 13 6.233 -9.348 3.624
70 1HD PRO 13 2HD PRO 13 7.139 -6.568 3.011
71 2HD PRO 13 1HD PRO 13 6.002 -7.607 2.128
72 H GLY 14 H GLY 14 3.918 -6.558 7.301
73 1HA GLY 14 2HA GLY 14 4.042 -5.028 9.011
74 2HA GLY 14 1HA GLY 14 5.732 -4.798 8.590
75 H ALA 15 H ALA 15 2.960 -4.268 6.474
76 HA ALA 15 HA ALA 15 3.819 -1.492 6.161
77 1HB ALA 15 1HB ALA 15 3.589 -2.793 4.116
78 2HB ALA 15 2HB ALA 15 2.411 -1.480 4.155
79 3HB ALA 15 3HB ALA 15 1.904 -3.133 4.506
80 H THR 16 H THR 16 2.464 0.232 6.459
81 HA THR 16 HA THR 16 0.223 -0.213 8.259
82 HB THR 16 HB THR 16 1.095 2.496 7.329
83 HG1 THR 16 HG1 THR 16 2.631 0.646 8.698
84 1HG2 THR 16 1HG2 THR 16 0.044 3.244 9.186
85 2HG2 THR 16 2HG2 THR 16 0.613 1.898 10.173
86 3HG2 THR 16 3HG2 THR 16 -0.781 1.687 9.110
87 H CYS 17 H CYS 17 -1.862 0.634 7.827
88 HA CYS 17 HA CYS 17 -2.488 0.684 4.985
89 1HB CYS 17 2HB CYS 17 -3.762 -0.832 6.465
90 2HB CYS 17 1HB CYS 17 -4.360 0.563 7.355
91 H SER 18 H SER 18 -3.257 2.373 3.920
92 HA SER 18 HA SER 18 -4.124 4.770 5.333
93 1HB SER 18 2HB SER 18 -1.960 4.720 3.214
94 2HB SER 18 1HB SER 18 -2.695 6.184 3.867
95 HG SER 18 HG SER 18 -1.939 4.835 5.955
96 H TRP 19 H TRP 19 -5.952 3.361 4.467
97 HA TRP 19 HA TRP 19 -6.756 2.782 2.041
98 1HB TRP 19 2HB TRP 19 -8.104 2.963 4.292
99 2HB TRP 19 1HB TRP 19 -8.699 4.458 3.573
100 HD1 TRP 19 HD1 TRP 19 -8.924 0.679 3.242
101 HE1 TRP 19 HE1 TRP 19 -10.792 0.079 1.577
102 HE3 TRP 19 HE3 TRP 19 -9.960 5.358 1.479
103 HZ2 TRP 19 HZ2 TRP 19 -12.481 1.415 -0.243
104 HZ3 TRP 19 HZ3 TRP 19 -11.721 5.615 -0.223
105 HH2 TRP 19 HH2 TRP 19 -12.953 3.683 -1.066
106 HA PRO 20 HA PRO 20 -7.438 2.533 0.479
107 1HB PRO 20 2HB PRO 20 -7.622 2.690 -2.142
108 2HB PRO 20 1HB PRO 20 -8.915 3.303 -1.112
109 1HG PRO 20 2HG PRO 20 -6.860 4.803 -2.650
110 2HG PRO 20 1HG PRO 20 -8.531 5.253 -2.275
111 1HD PRO 20 2HD PRO 20 -6.170 6.050 -0.889
112 2HD PRO 20 1HD PRO 20 -7.851 6.387 -0.434
113 H VAL 21 H VAL 21 -4.737 3.864 0.855
114 HA VAL 21 HA VAL 21 -3.261 2.078 -0.975
115 HB VAL 21 HB VAL 21 -1.371 3.745 -0.945
116 1HG1 VAL 21 1HG1 VAL 21 -3.872 3.855 -2.459
117 2HG1 VAL 21 2HG1 VAL 21 -2.203 3.826 -3.026
118 3HG1 VAL 21 3HG1 VAL 21 -2.934 5.348 -2.513
119 1HG2 VAL 21 1HG2 VAL 21 -2.924 6.100 -0.687
120 2HG2 VAL 21 2HG2 VAL 21 -1.529 5.592 0.265
121 3HG2 VAL 21 3HG2 VAL 21 -3.157 5.133 0.770
122 H CYS 22 H CYS 22 -0.921 1.737 -0.226
123 HA CYS 22 HA CYS 22 -1.022 1.278 2.684
124 1HB CYS 22 2HB CYS 22 0.556 -0.060 0.504
125 2HB CYS 22 1HB CYS 22 0.757 -0.418 2.209
126 H THR 23 H THR 23 0.761 1.770 3.987
127 HA THR 23 HA THR 23 2.864 3.407 2.752
128 HB THR 23 HB THR 23 2.798 4.832 4.877
129 HG1 THR 23 HG1 THR 23 0.120 4.519 5.218
130 1HG2 THR 23 1HG2 THR 23 0.709 6.118 4.000
131 2HG2 THR 23 2HG2 THR 23 0.737 4.925 2.701
132 3HG2 THR 23 3HG2 THR 23 2.131 5.972 2.967
133 H ARG 24 H ARG 24 4.815 3.538 4.046
134 HA ARG 24 HA ARG 24 5.046 1.714 6.283
135 1HB ARG 24 2HB ARG 24 5.478 0.520 3.964
136 2HB ARG 24 1HB ARG 24 7.035 1.329 4.082
137 1HG ARG 24 2HG ARG 24 7.436 0.255 6.235
138 2HG ARG 24 1HG ARG 24 5.872 -0.553 6.123
139 1HD ARG 24 2HD ARG 24 6.698 -1.540 3.942
140 2HD ARG 24 1HD ARG 24 8.295 -0.944 4.388
141 HE ARG 24 HE ARG 24 7.028 -3.280 5.356
142 1HH1 ARG 24 1HH1 ARG 24 9.076 -0.646 6.463
143 2HH1 ARG 24 2HH1 ARG 24 9.788 -1.579 7.734
144 1HH2 ARG 24 1HH2 ARG 24 7.956 -4.493 7.023
145 2HH2 ARG 24 2HH2 ARG 24 9.153 -3.778 8.057
146 H ASN 25 H ASN 25 6.415 2.526 7.728
147 HA ASN 25 HA ASN 25 7.850 3.944 8.758
148 1HB ASN 25 2HB ASN 25 9.211 3.815 6.062
149 2HB ASN 25 1HB ASN 25 9.902 4.641 7.452
150 1HD2 ASN 25 1HD2 ASN 25 11.324 3.505 8.521
151 2HD2 ASN 25 2HD2 ASN 25 11.370 1.785 8.662
152 H GLY 26 H GLY 26 5.497 5.003 7.470
153 1HA GLY 26 2HA GLY 26 4.538 7.095 7.346
154 2HA GLY 26 1HA GLY 26 6.109 7.790 7.710
155 H LEU 27 H LEU 27 5.987 5.605 5.067
156 HA LEU 27 HA LEU 27 5.814 7.838 3.156
157 1HB LEU 27 2HB LEU 27 7.808 5.565 3.130
158 2HB LEU 27 1HB LEU 27 7.582 6.702 1.817
159 HG LEU 27 HG LEU 27 8.501 7.447 4.596
160 1HD1 LEU 27 1HD1 LEU 27 9.992 6.892 2.052
161 2HD1 LEU 27 2HD1 LEU 27 10.272 6.233 3.664
162 3HD1 LEU 27 3HD1 LEU 27 10.660 7.919 3.321
163 1HD2 LEU 27 1HD2 LEU 27 9.029 9.607 3.580
164 2HD2 LEU 27 2HD2 LEU 27 7.308 9.245 3.453
165 3HD2 LEU 27 3HD2 LEU 27 8.354 9.055 2.047
166 HA PRO 28 HA PRO 28 2.746 5.184 1.390
167 1HB PRO 28 2HB PRO 28 3.101 6.647 -1.103
168 2HB PRO 28 1HB PRO 28 1.689 6.552 -0.053
169 1HG PRO 28 2HG PRO 28 3.214 8.794 -0.290
170 2HG PRO 28 1HG PRO 28 2.314 8.378 1.178
171 1HD PRO 28 2HD PRO 28 5.230 8.145 0.611
172 2HD PRO 28 1HD PRO 28 4.397 8.509 2.135
173 H VAL 29 H VAL 29 2.729 3.380 0.233
174 HA VAL 29 HA VAL 29 5.183 2.671 -1.193
175 HB VAL 29 HB VAL 29 2.928 0.823 -0.346
176 1HG1 VAL 29 1HG1 VAL 29 4.743 -0.901 -0.628
177 2HG1 VAL 29 2HG1 VAL 29 5.720 0.353 -1.391
178 3HG1 VAL 29 3HG1 VAL 29 4.195 -0.142 -2.123
179 1HG2 VAL 29 1HG2 VAL 29 4.272 2.075 1.491
180 2HG2 VAL 29 2HG2 VAL 29 5.580 0.983 1.036
181 3HG2 VAL 29 3HG2 VAL 29 4.049 0.330 1.619
Start of MODEL 8
1 H ALA 1 H ALA 1 5.381 2.480 -3.156
2 HA ALA 1 HA ALA 1 3.218 3.295 -4.739
3 1HB ALA 1 1HB ALA 1 5.996 2.890 -5.077
4 2HB ALA 1 2HB ALA 1 4.878 3.755 -6.130
5 3HB ALA 1 3HB ALA 1 5.170 2.033 -6.377
6 H GLY 2 H GLY 2 1.613 2.225 -5.652
7 1HA GLY 2 2HA GLY 2 0.540 0.510 -6.802
8 2HA GLY 2 1HA GLY 2 1.933 -0.519 -6.520
9 H GLU 3 H GLU 3 1.882 0.047 -3.610
10 HA GLU 3 HA GLU 3 0.142 -2.094 -2.891
11 1HB GLU 3 2HB GLU 3 2.367 -1.493 -1.803
12 2HB GLU 3 1HB GLU 3 1.501 -0.207 -0.979
13 1HG GLU 3 2HG GLU 3 1.668 -2.091 0.475
14 2HG GLU 3 1HG GLU 3 -0.013 -1.893 -0.016
15 H THR 4 H THR 4 -1.955 -1.884 -2.718
16 HA THR 4 HA THR 4 -3.025 0.625 -1.656
17 HB THR 4 HB THR 4 -5.200 -0.115 -2.721
18 HG1 THR 4 HG1 THR 4 -3.497 -1.776 -4.290
19 1HG2 THR 4 1HG2 THR 4 -2.774 0.660 -4.317
20 2HG2 THR 4 2HG2 THR 4 -4.111 1.673 -3.773
21 3HG2 THR 4 3HG2 THR 4 -4.360 0.508 -5.073
22 H CYS 5 H CYS 5 -4.807 0.505 -0.210
23 HA CYS 5 HA CYS 5 -4.915 -2.065 1.225
24 1HB CYS 5 2HB CYS 5 -3.804 -0.183 2.470
25 2HB CYS 5 1HB CYS 5 -5.339 0.678 2.430
26 H VAL 6 H VAL 6 -6.557 -1.464 -0.950
27 HA VAL 6 HA VAL 6 -9.084 -0.451 -0.179
28 HB VAL 6 HB VAL 6 -8.568 -2.459 -2.375
29 1HG1 VAL 6 1HG1 VAL 6 -10.663 -0.328 -2.403
30 2HG1 VAL 6 2HG1 VAL 6 -10.951 -1.854 -1.567
31 3HG1 VAL 6 3HG1 VAL 6 -10.601 -1.848 -3.296
32 1HG2 VAL 6 1HG2 VAL 6 -7.933 -0.781 -3.824
33 2HG2 VAL 6 2HG2 VAL 6 -7.168 -0.258 -2.323
34 3HG2 VAL 6 3HG2 VAL 6 -8.679 0.486 -2.849
35 H GLY 7 H GLY 7 -7.655 -3.660 -0.160
36 1HA GLY 7 2HA GLY 7 -10.090 -4.927 0.755
37 2HA GLY 7 1HA GLY 7 -8.537 -5.701 0.510
38 H GLY 8 H GLY 8 -8.000 -3.007 2.252
39 1HA GLY 8 2HA GLY 8 -7.884 -2.503 4.522
40 2HA GLY 8 1HA GLY 8 -8.726 -4.004 4.865
41 H THR 9 H THR 9 -6.224 -4.730 2.834
42 HA THR 9 HA THR 9 -4.187 -4.947 4.908
43 HB THR 9 HB THR 9 -3.802 -7.375 4.201
44 HG1 THR 9 HG1 THR 9 -5.401 -7.144 2.422
45 1HG2 THR 9 1HG2 THR 9 -5.623 -8.227 5.741
46 2HG2 THR 9 2HG2 THR 9 -6.191 -6.561 5.845
47 3HG2 THR 9 3HG2 THR 9 -4.574 -6.977 6.409
48 H CYS 10 H CYS 10 -2.111 -5.005 4.111
49 HA CYS 10 HA CYS 10 -1.845 -4.563 1.222
50 1HB CYS 10 2HB CYS 10 0.387 -4.144 3.168
51 2HB CYS 10 1HB CYS 10 0.108 -3.369 1.621
52 H ASN 11 H ASN 11 0.013 -5.431 0.159
53 HA ASN 11 HA ASN 11 0.434 -8.228 0.827
54 1HB ASN 11 2HB ASN 11 1.443 -6.557 -1.494
55 2HB ASN 11 1HB ASN 11 1.611 -8.304 -1.348
56 1HD2 ASN 11 1HD2 ASN 11 -0.427 -5.697 -2.199
57 2HD2 ASN 11 2HD2 ASN 11 -1.788 -6.640 -2.710
58 H THR 12 H THR 12 2.192 -5.213 0.630
59 HA THR 12 HA THR 12 4.795 -6.220 1.050
60 HB THR 12 HB THR 12 3.644 -3.483 1.637
61 HG1 THR 12 HG1 THR 12 3.580 -4.064 -0.580
62 1HG2 THR 12 1HG2 THR 12 5.758 -2.655 2.020
63 2HG2 THR 12 2HG2 THR 12 6.548 -3.967 1.145
64 3HG2 THR 12 3HG2 THR 12 5.895 -4.250 2.759
65 HA PRO 13 HA PRO 13 4.439 -7.421 5.319
66 1HB PRO 13 2HB PRO 13 7.386 -7.344 5.253
67 2HB PRO 13 1HB PRO 13 6.304 -8.690 5.618
68 1HG PRO 13 2HG PRO 13 7.680 -8.567 3.324
69 2HG PRO 13 1HG PRO 13 6.055 -9.265 3.401
70 1HD PRO 13 2HD PRO 13 6.926 -6.587 2.394
71 2HD PRO 13 1HD PRO 13 5.679 -7.681 1.762
72 H GLY 14 H GLY 14 4.260 -6.262 7.084
73 1HA GLY 14 2HA GLY 14 4.566 -4.644 8.683
74 2HA GLY 14 1HA GLY 14 6.151 -4.348 7.987
75 H ALA 15 H ALA 15 3.201 -4.077 6.120
76 HA ALA 15 HA ALA 15 3.754 -1.219 5.813
77 1HB ALA 15 1HB ALA 15 3.018 -3.233 3.988
78 2HB ALA 15 2HB ALA 15 3.247 -1.512 3.673
79 3HB ALA 15 3HB ALA 15 1.649 -2.127 4.101
80 H THR 16 H THR 16 2.366 0.321 6.442
81 HA THR 16 HA THR 16 0.119 -0.480 8.103
82 HB THR 16 HB THR 16 0.888 2.369 7.597
83 HG1 THR 16 HG1 THR 16 2.487 0.412 8.675
84 1HG2 THR 16 1HG2 THR 16 -0.509 0.803 9.690
85 2HG2 THR 16 2HG2 THR 16 -0.851 2.417 9.067
86 3HG2 THR 16 3HG2 THR 16 0.452 2.179 10.230
87 H CYS 17 H CYS 17 -1.985 0.301 7.760
88 HA CYS 17 HA CYS 17 -2.681 0.553 4.980
89 1HB CYS 17 2HB CYS 17 -3.988 -0.872 6.528
90 2HB CYS 17 1HB CYS 17 -4.480 0.571 7.407
91 H SER 18 H SER 18 -3.385 2.284 3.931
92 HA SER 18 HA SER 18 -4.083 4.732 5.343
93 1HB SER 18 2HB SER 18 -1.961 4.595 3.185
94 2HB SER 18 1HB SER 18 -2.579 6.075 3.919
95 HG SER 18 HG SER 18 -1.839 4.553 5.912
96 H TRP 19 H TRP 19 -5.951 3.331 4.449
97 HA TRP 19 HA TRP 19 -6.748 2.841 2.001
98 1HB TRP 19 2HB TRP 19 -8.106 3.019 4.284
99 2HB TRP 19 1HB TRP 19 -8.744 4.460 3.494
100 HD1 TRP 19 HD1 TRP 19 -8.742 0.659 3.246
101 HE1 TRP 19 HE1 TRP 19 -10.538 -0.083 1.561
102 HE3 TRP 19 HE3 TRP 19 -10.059 5.239 1.399
103 HZ2 TRP 19 HZ2 TRP 19 -12.282 1.111 -0.301
104 HZ3 TRP 19 HZ3 TRP 19 -11.804 5.353 -0.334
105 HH2 TRP 19 HH2 TRP 19 -12.893 3.331 -1.166
106 HA PRO 20 HA PRO 20 -7.561 2.645 0.469
107 1HB PRO 20 2HB PRO 20 -7.635 2.822 -2.160
108 2HB PRO 20 1HB PRO 20 -8.937 3.496 -1.178
109 1HG PRO 20 2HG PRO 20 -6.701 4.901 -2.565
110 2HG PRO 20 1HG PRO 20 -8.388 5.404 -2.365
111 1HD PRO 20 2HD PRO 20 -6.204 6.219 -0.783
112 2HD PRO 20 1HD PRO 20 -7.922 6.456 -0.408
113 H VAL 21 H VAL 21 -4.782 4.012 0.818
114 HA VAL 21 HA VAL 21 -3.367 2.071 -0.897
115 HB VAL 21 HB VAL 21 -1.405 3.625 -0.908
116 1HG1 VAL 21 1HG1 VAL 21 -2.233 3.792 -2.978
117 2HG1 VAL 21 2HG1 VAL 21 -2.917 5.328 -2.444
118 3HG1 VAL 21 3HG1 VAL 21 -3.898 3.862 -2.400
119 1HG2 VAL 21 1HG2 VAL 21 -3.288 5.860 -0.302
120 2HG2 VAL 21 2HG2 VAL 21 -1.526 5.818 -0.219
121 3HG2 VAL 21 3HG2 VAL 21 -2.486 5.010 1.019
122 H CYS 22 H CYS 22 -0.865 2.156 -0.023
123 HA CYS 22 HA CYS 22 -1.050 1.611 2.870
124 1HB CYS 22 2HB CYS 22 0.300 -0.008 0.713
125 2HB CYS 22 1HB CYS 22 0.632 -0.234 2.428
126 H THR 23 H THR 23 0.719 2.119 4.135
127 HA THR 23 HA THR 23 2.986 3.443 2.809
128 HB THR 23 HB THR 23 3.006 5.145 4.656
129 HG1 THR 23 HG1 THR 23 0.299 4.742 5.172
130 1HG2 THR 23 1HG2 THR 23 0.749 6.264 3.776
131 2HG2 THR 23 2HG2 THR 23 0.898 4.990 2.564
132 3HG2 THR 23 3HG2 THR 23 2.200 6.161 2.776
133 H ARG 24 H ARG 24 4.936 3.443 4.056
134 HA ARG 24 HA ARG 24 4.915 1.830 6.489
135 1HB ARG 24 2HB ARG 24 5.370 0.273 4.598
136 2HB ARG 24 1HB ARG 24 6.771 1.246 4.170
137 1HG ARG 24 2HG ARG 24 7.892 0.677 6.179
138 2HG ARG 24 1HG ARG 24 6.438 -0.054 6.859
139 1HD ARG 24 2HD ARG 24 7.927 -1.794 6.122
140 2HD ARG 24 1HD ARG 24 6.508 -1.764 5.079
141 HE ARG 24 HE ARG 24 8.503 -0.182 3.913
142 1HH1 ARG 24 1HH1 ARG 24 7.827 -3.540 4.639
143 2HH1 ARG 24 2HH1 ARG 24 8.799 -4.150 3.341
144 1HH2 ARG 24 1HH2 ARG 24 9.788 -0.984 2.187
145 2HH2 ARG 24 2HH2 ARG 24 9.915 -2.693 1.941
146 H ASN 25 H ASN 25 6.096 2.765 7.989
147 HA ASN 25 HA ASN 25 7.490 4.191 9.066
148 1HB ASN 25 2HB ASN 25 9.170 2.756 7.779
149 2HB ASN 25 1HB ASN 25 9.279 4.089 6.634
150 1HD2 ASN 25 1HD2 ASN 25 10.917 5.396 6.985
151 2HD2 ASN 25 2HD2 ASN 25 11.637 5.744 8.514
152 H GLY 26 H GLY 26 5.377 5.300 7.537
153 1HA GLY 26 2HA GLY 26 4.608 7.426 7.098
154 2HA GLY 26 1HA GLY 26 6.206 8.036 7.497
155 H LEU 27 H LEU 27 6.227 5.593 5.130
156 HA LEU 27 HA LEU 27 6.337 7.615 2.991
157 1HB LEU 27 2HB LEU 27 8.582 6.754 3.595
158 2HB LEU 27 1HB LEU 27 8.032 5.126 3.254
159 HG LEU 27 HG LEU 27 7.633 5.832 0.881
160 1HD1 LEU 27 1HD1 LEU 27 8.431 7.873 0.052
161 2HD1 LEU 27 2HD1 LEU 27 9.304 8.237 1.542
162 3HD1 LEU 27 3HD1 LEU 27 7.542 8.297 1.514
163 1HD2 LEU 27 1HD2 LEU 27 10.486 6.274 1.711
164 2HD2 LEU 27 2HD2 LEU 27 9.874 5.526 0.237
165 3HD2 LEU 27 3HD2 LEU 27 9.717 4.688 1.781
166 HA PRO 28 HA PRO 28 3.034 5.075 1.432
167 1HB PRO 28 2HB PRO 28 3.452 6.451 -1.110
168 2HB PRO 28 1HB PRO 28 2.030 6.427 -0.069
169 1HG PRO 28 2HG PRO 28 3.604 8.617 -0.333
170 2HG PRO 28 1HG PRO 28 2.722 8.239 1.156
171 1HD PRO 28 2HD PRO 28 5.618 7.904 0.528
172 2HD PRO 28 1HD PRO 28 4.837 8.337 2.062
173 H VAL 29 H VAL 29 2.914 3.239 0.348
174 HA VAL 29 HA VAL 29 5.319 2.324 -1.034
175 HB VAL 29 HB VAL 29 2.901 0.693 -0.181
176 1HG1 VAL 29 1HG1 VAL 29 5.598 -0.484 -0.617
177 2HG1 VAL 29 2HG1 VAL 29 4.675 -0.017 -2.046
178 3HG1 VAL 29 3HG1 VAL 29 4.000 -1.175 -0.900
179 1HG2 VAL 29 1HG2 VAL 29 5.557 0.653 1.205
180 2HG2 VAL 29 2HG2 VAL 29 3.979 0.132 1.794
181 3HG2 VAL 29 3HG2 VAL 29 4.339 1.851 1.638
Start of MODEL 9
1 H ALA 1 H ALA 1 5.757 2.365 -2.968
2 HA ALA 1 HA ALA 1 3.813 3.220 -4.847
3 1HB ALA 1 1HB ALA 1 6.167 1.817 -5.904
4 2HB ALA 1 2HB ALA 1 6.521 3.164 -4.824
5 3HB ALA 1 3HB ALA 1 5.543 3.425 -6.267
6 H GLY 2 H GLY 2 2.290 2.082 -5.801
7 1HA GLY 2 2HA GLY 2 1.194 0.340 -6.828
8 2HA GLY 2 1HA GLY 2 2.705 -0.554 -6.802
9 H GLU 3 H GLU 3 1.014 0.750 -3.992
10 HA GLU 3 HA GLU 3 0.189 -1.956 -3.236
11 1HB GLU 3 2HB GLU 3 2.400 -1.433 -2.180
12 2HB GLU 3 1HB GLU 3 1.644 -0.078 -1.370
13 1HG GLU 3 2HG GLU 3 1.822 -1.913 0.144
14 2HG GLU 3 1HG GLU 3 0.127 -1.631 -0.234
15 H THR 4 H THR 4 -1.914 -1.836 -2.941
16 HA THR 4 HA THR 4 -3.045 0.630 -1.818
17 HB THR 4 HB THR 4 -5.207 -0.105 -2.794
18 HG1 THR 4 HG1 THR 4 -3.912 -2.370 -3.171
19 1HG2 THR 4 1HG2 THR 4 -2.826 0.718 -4.315
20 2HG2 THR 4 2HG2 THR 4 -4.425 1.456 -4.225
21 3HG2 THR 4 3HG2 THR 4 -4.146 0.080 -5.293
22 H CYS 5 H CYS 5 -4.701 0.489 -0.288
23 HA CYS 5 HA CYS 5 -4.789 -2.086 1.144
24 1HB CYS 5 2HB CYS 5 -3.567 -0.161 2.302
25 2HB CYS 5 1HB CYS 5 -5.138 0.626 2.435
26 H VAL 6 H VAL 6 -6.526 -1.443 -0.933
27 HA VAL 6 HA VAL 6 -8.952 -0.278 -0.109
28 HB VAL 6 HB VAL 6 -8.644 -2.447 -2.188
29 1HG1 VAL 6 1HG1 VAL 6 -10.956 -1.622 -1.294
30 2HG1 VAL 6 2HG1 VAL 6 -10.697 -1.840 -3.025
31 3HG1 VAL 6 3HG1 VAL 6 -10.627 -0.225 -2.320
32 1HG2 VAL 6 1HG2 VAL 6 -7.611 -1.027 -3.557
33 2HG2 VAL 6 2HG2 VAL 6 -7.385 0.034 -2.165
34 3HG2 VAL 6 3HG2 VAL 6 -8.783 0.247 -3.219
35 H GLY 7 H GLY 7 -7.772 -3.596 -0.001
36 1HA GLY 7 2HA GLY 7 -10.238 -4.566 1.203
37 2HA GLY 7 1HA GLY 7 -8.821 -5.514 0.797
38 H GLY 8 H GLY 8 -8.083 -2.708 2.442
39 1HA GLY 8 2HA GLY 8 -7.440 -2.223 4.600
40 2HA GLY 8 1HA GLY 8 -8.468 -3.544 5.124
41 H THR 9 H THR 9 -6.077 -4.244 2.804
42 HA THR 9 HA THR 9 -4.082 -5.057 4.740
43 HB THR 9 HB THR 9 -4.093 -7.367 3.413
44 HG1 THR 9 HG1 THR 9 -6.839 -6.580 3.463
45 1HG2 THR 9 1HG2 THR 9 -5.631 -8.256 5.266
46 2HG2 THR 9 2HG2 THR 9 -5.710 -6.585 5.824
47 3HG2 THR 9 3HG2 THR 9 -4.158 -7.421 5.759
48 H CYS 10 H CYS 10 -2.049 -5.360 3.854
49 HA CYS 10 HA CYS 10 -1.764 -4.654 1.005
50 1HB CYS 10 2HB CYS 10 0.392 -4.253 3.060
51 2HB CYS 10 1HB CYS 10 0.243 -3.514 1.478
52 H ASN 11 H ASN 11 0.267 -5.506 0.040
53 HA ASN 11 HA ASN 11 0.548 -8.328 0.712
54 1HB ASN 11 2HB ASN 11 0.284 -7.575 -1.663
55 2HB ASN 11 1HB ASN 11 1.823 -6.735 -1.534
56 1HD2 ASN 11 1HD2 ASN 11 0.336 -9.533 -2.474
57 2HD2 ASN 11 2HD2 ASN 11 1.714 -10.571 -2.542
58 H THR 12 H THR 12 2.315 -5.337 0.663
59 HA THR 12 HA THR 12 4.899 -6.273 1.251
60 HB THR 12 HB THR 12 3.672 -3.640 2.100
61 HG1 THR 12 HG1 THR 12 3.423 -4.041 -0.171
62 1HG2 THR 12 1HG2 THR 12 6.346 -3.333 1.304
63 2HG2 THR 12 2HG2 THR 12 6.315 -4.757 2.343
64 3HG2 THR 12 3HG2 THR 12 5.696 -3.217 2.940
65 HA PRO 13 HA PRO 13 4.252 -7.792 5.386
66 1HB PRO 13 2HB PRO 13 7.183 -7.648 5.587
67 2HB PRO 13 1HB PRO 13 6.113 -9.045 5.731
68 1HG PRO 13 2HG PRO 13 7.698 -8.669 3.597
69 2HG PRO 13 1HG PRO 13 6.113 -9.447 3.468
70 1HD PRO 13 2HD PRO 13 6.932 -6.668 2.738
71 2HD PRO 13 1HD PRO 13 5.783 -7.757 1.933
72 H GLY 14 H GLY 14 3.851 -6.741 7.167
73 1HA GLY 14 2HA GLY 14 3.882 -5.185 8.849
74 2HA GLY 14 1HA GLY 14 5.585 -4.966 8.484
75 H ALA 15 H ALA 15 2.986 -4.375 6.195
76 HA ALA 15 HA ALA 15 3.880 -1.619 5.943
77 1HB ALA 15 1HB ALA 15 2.354 -3.511 4.271
78 2HB ALA 15 2HB ALA 15 3.550 -2.298 3.815
79 3HB ALA 15 3HB ALA 15 1.887 -1.815 4.143
80 H THR 16 H THR 16 2.568 0.168 6.246
81 HA THR 16 HA THR 16 0.398 -0.217 8.144
82 HB THR 16 HB THR 16 1.230 2.472 7.150
83 HG1 THR 16 HG1 THR 16 2.802 0.651 8.604
84 1HG2 THR 16 1HG2 THR 16 0.949 1.893 10.021
85 2HG2 THR 16 2HG2 THR 16 -0.513 1.657 9.063
86 3HG2 THR 16 3HG2 THR 16 0.297 3.224 9.066
87 H CYS 17 H CYS 17 -1.697 0.547 7.780
88 HA CYS 17 HA CYS 17 -2.434 0.624 4.969
89 1HB CYS 17 2HB CYS 17 -3.632 -0.902 6.528
90 2HB CYS 17 1HB CYS 17 -4.239 0.508 7.391
91 H SER 18 H SER 18 -3.274 2.300 3.943
92 HA SER 18 HA SER 18 -4.098 4.692 5.384
93 1HB SER 18 2HB SER 18 -2.029 4.714 3.171
94 2HB SER 18 1HB SER 18 -2.695 6.135 3.975
95 HG SER 18 HG SER 18 -1.831 4.653 5.913
96 H TRP 19 H TRP 19 -5.908 3.210 4.525
97 HA TRP 19 HA TRP 19 -6.743 2.667 2.105
98 1HB TRP 19 2HB TRP 19 -8.055 2.761 4.390
99 2HB TRP 19 1HB TRP 19 -8.725 4.235 3.695
100 HD1 TRP 19 HD1 TRP 19 -8.785 0.453 3.322
101 HE1 TRP 19 HE1 TRP 19 -10.637 -0.213 1.665
102 HE3 TRP 19 HE3 TRP 19 -10.055 5.100 1.632
103 HZ2 TRP 19 HZ2 TRP 19 -12.404 1.066 -0.121
104 HZ3 TRP 19 HZ3 TRP 19 -11.840 5.297 -0.052
105 HH2 TRP 19 HH2 TRP 19 -12.991 3.320 -0.909
106 HA PRO 20 HA PRO 20 -7.497 2.425 0.564
107 1HB PRO 20 2HB PRO 20 -7.677 2.607 -2.059
108 2HB PRO 20 1HB PRO 20 -8.983 3.189 -1.025
109 1HG PRO 20 2HG PRO 20 -6.927 4.740 -2.516
110 2HG PRO 20 1HG PRO 20 -8.619 5.147 -2.188
111 1HD PRO 20 2HD PRO 20 -6.341 6.025 -0.743
112 2HD PRO 20 1HD PRO 20 -8.043 6.251 -0.293
113 H VAL 21 H VAL 21 -4.813 3.898 0.884
114 HA VAL 21 HA VAL 21 -3.317 2.123 -0.946
115 HB VAL 21 HB VAL 21 -1.448 3.809 -0.883
116 1HG1 VAL 21 1HG1 VAL 21 -2.692 5.383 -2.516
117 2HG1 VAL 21 2HG1 VAL 21 -4.059 4.297 -2.261
118 3HG1 VAL 21 3HG1 VAL 21 -2.548 3.673 -2.921
119 1HG2 VAL 21 1HG2 VAL 21 -1.870 5.277 0.843
120 2HG2 VAL 21 2HG2 VAL 21 -3.584 5.406 0.455
121 3HG2 VAL 21 3HG2 VAL 21 -2.387 6.210 -0.561
122 H CYS 22 H CYS 22 -0.884 2.045 -0.149
123 HA CYS 22 HA CYS 22 -0.995 1.468 2.742
124 1HB CYS 22 2HB CYS 22 0.459 -0.005 0.541
125 2HB CYS 22 1HB CYS 22 0.714 -0.303 2.259
126 H THR 23 H THR 23 0.846 1.861 3.991
127 HA THR 23 HA THR 23 2.944 3.456 2.699
128 HB THR 23 HB THR 23 2.960 4.873 4.826
129 HG1 THR 23 HG1 THR 23 0.266 4.501 5.200
130 1HG2 THR 23 1HG2 THR 23 0.476 5.757 3.804
131 2HG2 THR 23 2HG2 THR 23 1.375 5.063 2.455
132 3HG2 THR 23 3HG2 THR 23 2.087 6.359 3.416
133 H ARG 24 H ARG 24 4.846 3.747 4.129
134 HA ARG 24 HA ARG 24 5.276 1.738 6.173
135 1HB ARG 24 2HB ARG 24 6.433 1.604 3.448
136 2HB ARG 24 1HB ARG 24 7.565 1.358 4.768
137 1HG ARG 24 2HG ARG 24 5.029 -0.211 4.358
138 2HG ARG 24 1HG ARG 24 6.643 -0.740 3.879
139 1HD ARG 24 2HD ARG 24 5.664 -0.182 6.677
140 2HD ARG 24 1HD ARG 24 6.073 -1.753 5.988
141 HE ARG 24 HE ARG 24 8.312 -0.067 5.809
142 1HH1 ARG 24 1HH1 ARG 24 6.424 -1.814 8.185
143 2HH1 ARG 24 2HH1 ARG 24 7.734 -1.941 9.317
144 1HH2 ARG 24 1HH2 ARG 24 10.046 -0.231 7.303
145 2HH2 ARG 24 2HH2 ARG 24 9.798 -1.040 8.813
146 H ASN 25 H ASN 25 6.257 2.767 7.763
147 HA ASN 25 HA ASN 25 7.460 4.275 8.960
148 1HB ASN 25 2HB ASN 25 9.281 3.103 7.562
149 2HB ASN 25 1HB ASN 25 9.294 4.568 6.587
150 1HD2 ASN 25 1HD2 ASN 25 10.753 6.009 7.158
151 2HD2 ASN 25 2HD2 ASN 25 11.418 6.214 8.739
152 H GLY 26 H GLY 26 5.264 5.288 7.540
153 1HA GLY 26 2HA GLY 26 4.303 7.365 7.268
154 2HA GLY 26 1HA GLY 26 5.861 8.085 7.630
155 H LEU 27 H LEU 27 6.089 5.819 5.128
156 HA LEU 27 HA LEU 27 5.849 7.956 3.107
157 1HB LEU 27 2HB LEU 27 7.844 5.683 3.177
158 2HB LEU 27 1HB LEU 27 7.687 6.854 1.883
159 HG LEU 27 HG LEU 27 8.487 7.516 4.719
160 1HD1 LEU 27 1HD1 LEU 27 9.998 6.325 2.687
161 2HD1 LEU 27 2HD1 LEU 27 10.588 7.052 4.182
162 3HD1 LEU 27 3HD1 LEU 27 10.477 8.022 2.713
163 1HD2 LEU 27 1HD2 LEU 27 7.345 9.177 2.878
164 2HD2 LEU 27 2HD2 LEU 27 9.065 9.403 2.558
165 3HD2 LEU 27 3HD2 LEU 27 8.423 9.689 4.175
166 HA PRO 28 HA PRO 28 2.843 5.225 1.331
167 1HB PRO 28 2HB PRO 28 3.360 6.556 -1.217
168 2HB PRO 28 1HB PRO 28 1.879 6.495 -0.265
169 1HG PRO 28 2HG PRO 28 3.385 8.743 -0.495
170 2HG PRO 28 1HG PRO 28 2.409 8.372 0.937
171 1HD PRO 28 2HD PRO 28 5.355 8.163 0.543
172 2HD PRO 28 1HD PRO 28 4.434 8.572 2.002
173 H VAL 29 H VAL 29 2.858 3.355 0.258
174 HA VAL 29 HA VAL 29 5.400 2.476 -0.865
175 HB VAL 29 HB VAL 29 2.902 0.845 -0.303
176 1HG1 VAL 29 1HG1 VAL 29 5.004 0.204 -1.944
177 2HG1 VAL 29 2HG1 VAL 29 3.961 -0.957 -1.123
178 3HG1 VAL 29 3HG1 VAL 29 5.504 -0.495 -0.404
179 1HG2 VAL 29 1HG2 VAL 29 4.281 -0.020 1.615
180 2HG2 VAL 29 2HG2 VAL 29 3.718 1.643 1.779
181 3HG2 VAL 29 3HG2 VAL 29 5.391 1.319 1.326
Start of MODEL 10
1 H ALA 1 H ALA 1 4.703 3.674 -3.540
2 HA ALA 1 HA ALA 1 2.191 4.095 -4.809
3 1HB ALA 1 1HB ALA 1 4.020 3.759 -6.844
4 2HB ALA 1 2HB ALA 1 5.002 4.352 -5.504
5 3HB ALA 1 3HB ALA 1 3.608 5.282 -6.057
6 H GLY 2 H GLY 2 0.907 2.693 -5.816
7 1HA GLY 2 2HA GLY 2 0.429 0.838 -7.196
8 2HA GLY 2 1HA GLY 2 1.991 0.155 -6.773
9 H GLU 3 H GLU 3 1.718 0.472 -3.935
10 HA GLU 3 HA GLU 3 0.128 -1.880 -3.433
11 1HB GLU 3 2HB GLU 3 2.376 -1.376 -2.351
12 2HB GLU 3 1HB GLU 3 1.539 -0.187 -1.374
13 1HG GLU 3 2HG GLU 3 0.240 -1.835 -0.304
14 2HG GLU 3 1HG GLU 3 0.716 -3.069 -1.467
15 H THR 4 H THR 4 -1.979 -1.714 -3.216
16 HA THR 4 HA THR 4 -3.102 0.694 -1.987
17 HB THR 4 HB THR 4 -5.274 -0.089 -2.890
18 HG1 THR 4 HG1 THR 4 -3.966 -2.350 -3.240
19 1HG2 THR 4 1HG2 THR 4 -4.923 0.916 -4.907
20 2HG2 THR 4 2HG2 THR 4 -3.491 -0.049 -5.263
21 3HG2 THR 4 3HG2 THR 4 -3.380 1.317 -4.153
22 H CYS 5 H CYS 5 -4.726 0.519 -0.399
23 HA CYS 5 HA CYS 5 -4.693 -2.049 1.047
24 1HB CYS 5 2HB CYS 5 -3.505 -0.088 2.178
25 2HB CYS 5 1HB CYS 5 -5.095 0.654 2.341
26 H VAL 6 H VAL 6 -6.498 -1.504 -0.980
27 HA VAL 6 HA VAL 6 -8.936 -0.394 -0.122
28 HB VAL 6 HB VAL 6 -8.607 -2.593 -2.166
29 1HG1 VAL 6 1HG1 VAL 6 -10.628 -0.573 -2.661
30 2HG1 VAL 6 2HG1 VAL 6 -10.905 -1.444 -1.153
31 3HG1 VAL 6 3HG1 VAL 6 -10.760 -2.332 -2.670
32 1HG2 VAL 6 1HG2 VAL 6 -7.390 -1.147 -3.345
33 2HG2 VAL 6 2HG2 VAL 6 -7.710 0.157 -2.202
34 3HG2 VAL 6 3HG2 VAL 6 -8.853 -0.174 -3.503
35 H GLY 7 H GLY 7 -7.664 -3.677 0.019
36 1HA GLY 7 2HA GLY 7 -10.075 -4.691 1.292
37 2HA GLY 7 1HA GLY 7 -8.639 -5.606 0.879
38 H GLY 8 H GLY 8 -7.942 -2.754 2.460
39 1HA GLY 8 2HA GLY 8 -7.258 -2.220 4.594
40 2HA GLY 8 1HA GLY 8 -8.275 -3.530 5.162
41 H THR 9 H THR 9 -5.869 -4.203 2.833
42 HA THR 9 HA THR 9 -3.883 -5.024 4.776
43 HB THR 9 HB THR 9 -3.875 -7.313 3.391
44 HG1 THR 9 HG1 THR 9 -6.631 -6.578 3.528
45 1HG2 THR 9 1HG2 THR 9 -5.391 -6.562 5.865
46 2HG2 THR 9 2HG2 THR 9 -3.890 -7.476 5.712
47 3HG2 THR 9 3HG2 THR 9 -5.425 -8.219 5.260
48 H CYS 10 H CYS 10 -1.838 -5.308 3.899
49 HA CYS 10 HA CYS 10 -1.533 -4.485 1.089
50 1HB CYS 10 2HB CYS 10 0.548 -4.219 3.244
51 2HB CYS 10 1HB CYS 10 0.569 -3.508 1.641
52 H ASN 11 H ASN 11 0.518 -5.287 0.113
53 HA ASN 11 HA ASN 11 0.603 -8.161 0.435
54 1HB ASN 11 2HB ASN 11 2.006 -6.323 -1.518
55 2HB ASN 11 1HB ASN 11 2.140 -8.077 -1.538
56 1HD2 ASN 11 1HD2 ASN 11 0.823 -9.087 -2.862
57 2HD2 ASN 11 2HD2 ASN 11 -0.683 -8.487 -3.455
58 H THR 12 H THR 12 2.606 -5.371 1.018
59 HA THR 12 HA THR 12 4.941 -6.943 1.693
60 HB THR 12 HB THR 12 4.535 -4.026 2.339
61 HG1 THR 12 HG1 THR 12 4.048 -4.258 0.141
62 1HG2 THR 12 1HG2 THR 12 7.069 -5.344 1.431
63 2HG2 THR 12 2HG2 THR 12 6.556 -5.469 3.115
64 3HG2 THR 12 3HG2 THR 12 6.856 -3.885 2.398
65 HA PRO 13 HA PRO 13 3.684 -7.761 5.882
66 1HB PRO 13 2HB PRO 13 6.551 -8.260 6.337
67 2HB PRO 13 1HB PRO 13 5.178 -9.355 6.520
68 1HG PRO 13 2HG PRO 13 6.947 -9.607 4.514
69 2HG PRO 13 1HG PRO 13 5.233 -10.006 4.313
70 1HD PRO 13 2HD PRO 13 6.737 -7.586 3.409
71 2HD PRO 13 1HD PRO 13 5.434 -8.476 2.597
72 H GLY 14 H GLY 14 3.559 -6.531 7.658
73 1HA GLY 14 2HA GLY 14 4.023 -4.906 9.224
74 2HA GLY 14 1HA GLY 14 5.668 -4.861 8.608
75 H ALA 15 H ALA 15 2.893 -4.329 6.563
76 HA ALA 15 HA ALA 15 3.837 -1.620 6.043
77 1HB ALA 15 1HB ALA 15 3.395 -2.251 3.954
78 2HB ALA 15 2HB ALA 15 1.686 -2.102 4.364
79 3HB ALA 15 3HB ALA 15 2.492 -3.665 4.497
80 H THR 16 H THR 16 2.555 0.191 6.261
81 HA THR 16 HA THR 16 0.384 -0.053 8.183
82 HB THR 16 HB THR 16 1.259 2.562 7.035
83 HG1 THR 16 HG1 THR 16 2.813 0.792 8.559
84 1HG2 THR 16 1HG2 THR 16 0.320 1.580 9.723
85 2HG2 THR 16 2HG2 THR 16 -0.485 2.708 8.633
86 3HG2 THR 16 3HG2 THR 16 0.984 3.195 9.478
87 H CYS 17 H CYS 17 -1.707 0.734 7.761
88 HA CYS 17 HA CYS 17 -2.391 0.716 4.926
89 1HB CYS 17 2HB CYS 17 -3.575 -0.845 6.452
90 2HB CYS 17 1HB CYS 17 -4.240 0.542 7.310
91 H SER 18 H SER 18 -3.274 2.362 3.879
92 HA SER 18 HA SER 18 -4.188 4.729 5.308
93 1HB SER 18 2HB SER 18 -2.078 4.785 3.135
94 2HB SER 18 1HB SER 18 -2.823 6.204 3.870
95 HG SER 18 HG SER 18 -1.970 4.830 5.885
96 H TRP 19 H TRP 19 -5.961 3.222 4.450
97 HA TRP 19 HA TRP 19 -6.772 2.648 2.024
98 1HB TRP 19 2HB TRP 19 -8.089 2.726 4.309
99 2HB TRP 19 1HB TRP 19 -8.789 4.181 3.603
100 HD1 TRP 19 HD1 TRP 19 -8.767 0.396 3.250
101 HE1 TRP 19 HE1 TRP 19 -10.609 -0.316 1.601
102 HE3 TRP 19 HE3 TRP 19 -10.133 5.005 1.539
103 HZ2 TRP 19 HZ2 TRP 19 -12.406 0.918 -0.188
104 HZ3 TRP 19 HZ3 TRP 19 -11.927 5.160 -0.141
105 HH2 TRP 19 HH2 TRP 19 -13.039 3.156 -0.987
106 HA PRO 20 HA PRO 20 -7.518 2.394 0.480
107 1HB PRO 20 2HB PRO 20 -7.715 2.571 -2.139
108 2HB PRO 20 1HB PRO 20 -9.027 3.130 -1.101
109 1HG PRO 20 2HG PRO 20 -7.005 4.718 -2.604
110 2HG PRO 20 1HG PRO 20 -8.703 5.096 -2.265
111 1HD PRO 20 2HD PRO 20 -6.429 6.009 -0.833
112 2HD PRO 20 1HD PRO 20 -8.132 6.214 -0.377
113 H VAL 21 H VAL 21 -4.864 3.893 0.812
114 HA VAL 21 HA VAL 21 -3.341 2.159 -1.034
115 HB VAL 21 HB VAL 21 -1.494 3.858 -0.972
116 1HG1 VAL 21 1HG1 VAL 21 -4.107 4.260 -2.347
117 2HG1 VAL 21 2HG1 VAL 21 -2.540 3.797 -3.014
118 3HG1 VAL 21 3HG1 VAL 21 -2.840 5.471 -2.543
119 1HG2 VAL 21 1HG2 VAL 21 -3.169 6.146 -0.548
120 2HG2 VAL 21 2HG2 VAL 21 -1.643 5.718 0.225
121 3HG2 VAL 21 3HG2 VAL 21 -3.165 5.121 0.887
122 H CYS 22 H CYS 22 -0.944 2.037 -0.257
123 HA CYS 22 HA CYS 22 -1.036 1.405 2.615
124 1HB CYS 22 2HB CYS 22 0.412 0.065 0.331
125 2HB CYS 22 1HB CYS 22 0.834 -0.227 2.017
126 H THR 23 H THR 23 0.744 1.848 3.901
127 HA THR 23 HA THR 23 2.790 3.598 2.721
128 HB THR 23 HB THR 23 2.783 4.759 5.038
129 HG1 THR 23 HG1 THR 23 0.073 4.435 5.241
130 1HG2 THR 23 1HG2 THR 23 0.480 5.955 4.121
131 2HG2 THR 23 2HG2 THR 23 1.123 5.186 2.670
132 3HG2 THR 23 3HG2 THR 23 2.117 6.325 3.577
133 H ARG 24 H ARG 24 4.796 3.627 3.916
134 HA ARG 24 HA ARG 24 5.174 1.553 5.909
135 1HB ARG 24 2HB ARG 24 5.408 0.477 3.636
136 2HB ARG 24 1HB ARG 24 6.781 1.533 3.349
137 1HG ARG 24 2HG ARG 24 8.150 0.319 4.647
138 2HG ARG 24 1HG ARG 24 6.894 -0.019 5.838
139 1HD ARG 24 2HD ARG 24 7.727 -2.026 4.596
140 2HD ARG 24 1HD ARG 24 5.987 -1.771 4.505
141 HE ARG 24 HE ARG 24 7.921 -1.413 2.333
142 1HH1 ARG 24 1HH1 ARG 24 4.585 -1.430 3.410
143 2HH1 ARG 24 2HH1 ARG 24 3.924 -1.496 1.797
144 1HH2 ARG 24 1HH2 ARG 24 7.033 -1.490 0.206
145 2HH2 ARG 24 2HH2 ARG 24 5.311 -1.532 0.004
146 H ASN 25 H ASN 25 6.549 2.259 7.389
147 HA ASN 25 HA ASN 25 8.011 3.576 8.518
148 1HB ASN 25 2HB ASN 25 9.288 3.655 5.784
149 2HB ASN 25 1HB ASN 25 10.009 4.437 7.184
150 1HD2 ASN 25 1HD2 ASN 25 8.720 2.063 8.743
151 2HD2 ASN 25 2HD2 ASN 25 9.901 0.818 8.560
152 H GLY 26 H GLY 26 5.621 4.742 7.447
153 1HA GLY 26 2HA GLY 26 4.645 6.826 7.540
154 2HA GLY 26 1HA GLY 26 6.222 7.494 7.929
155 H LEU 27 H LEU 27 5.985 5.574 5.082
156 HA LEU 27 HA LEU 27 5.799 7.996 3.414
157 1HB LEU 27 2HB LEU 27 7.724 5.690 3.065
158 2HB LEU 27 1HB LEU 27 7.499 6.990 1.911
159 HG LEU 27 HG LEU 27 8.515 7.359 4.731
160 1HD1 LEU 27 1HD1 LEU 27 9.845 6.370 2.440
161 2HD1 LEU 27 2HD1 LEU 27 10.532 6.803 4.005
162 3HD1 LEU 27 3HD1 LEU 27 10.423 8.012 2.726
163 1HD2 LEU 27 1HD2 LEU 27 9.220 9.590 3.731
164 2HD2 LEU 27 2HD2 LEU 27 7.502 9.373 4.065
165 3HD2 LEU 27 3HD2 LEU 27 8.104 9.228 2.415
166 HA PRO 28 HA PRO 28 2.611 5.614 1.479
167 1HB PRO 28 2HB PRO 28 2.966 7.293 -0.877
168 2HB PRO 28 1HB PRO 28 1.573 7.146 0.192
169 1HG PRO 28 2HG PRO 28 3.165 9.351 0.130
170 2HG PRO 28 1HG PRO 28 2.283 8.827 1.573
171 1HD PRO 28 2HD PRO 28 5.177 8.557 0.918
172 2HD PRO 28 1HD PRO 28 4.389 8.801 2.488
173 H VAL 29 H VAL 29 2.513 3.925 0.153
174 HA VAL 29 HA VAL 29 4.900 3.336 -1.451
175 HB VAL 29 HB VAL 29 2.780 1.404 -0.466
176 1HG1 VAL 29 1HG1 VAL 29 4.845 1.172 -2.430
177 2HG1 VAL 29 2HG1 VAL 29 3.691 -0.044 -1.887
178 3HG1 VAL 29 3HG1 VAL 29 5.236 0.136 -1.059
179 1HG2 VAL 29 1HG2 VAL 29 3.895 2.132 1.465
180 2HG2 VAL 29 2HG2 VAL 29 5.457 2.189 0.651
181 3HG2 VAL 29 3HG2 VAL 29 4.710 0.635 1.017
Start of MODEL 11
1 H ALA 1 H ALA 1 4.330 4.014 -3.398
2 HA ALA 1 HA ALA 1 1.712 4.211 -4.415
3 1HB ALA 1 1HB ALA 1 3.423 3.975 -6.610
4 2HB ALA 1 2HB ALA 1 4.383 4.733 -5.340
5 3HB ALA 1 3HB ALA 1 2.858 5.460 -5.846
6 H GLY 2 H GLY 2 4.073 1.632 -4.490
7 1HA GLY 2 2HA GLY 2 2.460 0.059 -6.330
8 2HA GLY 2 1HA GLY 2 4.036 -0.381 -5.693
9 H GLU 3 H GLU 3 1.273 0.666 -3.778
10 HA GLU 3 HA GLU 3 0.538 -2.009 -3.042
11 1HB GLU 3 2HB GLU 3 2.612 -1.609 -1.705
12 2HB GLU 3 1HB GLU 3 1.797 -0.268 -0.923
13 1HG GLU 3 2HG GLU 3 1.788 -2.284 0.444
14 2HG GLU 3 1HG GLU 3 0.161 -1.757 0.023
15 H THR 4 H THR 4 -1.544 -1.998 -2.694
16 HA THR 4 HA THR 4 -2.806 0.492 -1.778
17 HB THR 4 HB THR 4 -4.892 -0.328 -2.854
18 HG1 THR 4 HG1 THR 4 -3.326 -2.523 -3.258
19 1HG2 THR 4 1HG2 THR 4 -2.632 -0.124 -4.840
20 2HG2 THR 4 2HG2 THR 4 -3.269 1.260 -3.951
21 3HG2 THR 4 3HG2 THR 4 -4.312 0.366 -5.057
22 H CYS 5 H CYS 5 -4.607 0.321 -0.362
23 HA CYS 5 HA CYS 5 -4.666 -2.219 1.135
24 1HB CYS 5 2HB CYS 5 -3.524 -0.285 2.323
25 2HB CYS 5 1HB CYS 5 -5.092 0.519 2.349
26 H VAL 6 H VAL 6 -6.344 -1.639 -1.012
27 HA VAL 6 HA VAL 6 -8.823 -0.529 -0.259
28 HB VAL 6 HB VAL 6 -8.422 -2.680 -2.337
29 1HG1 VAL 6 1HG1 VAL 6 -10.306 -0.916 -3.260
30 2HG1 VAL 6 2HG1 VAL 6 -10.657 -0.996 -1.534
31 3HG1 VAL 6 3HG1 VAL 6 -10.638 -2.471 -2.498
32 1HG2 VAL 6 1HG2 VAL 6 -7.310 -1.265 -3.643
33 2HG2 VAL 6 2HG2 VAL 6 -7.187 -0.173 -2.263
34 3HG2 VAL 6 3HG2 VAL 6 -8.525 -0.009 -3.401
35 H GLY 7 H GLY 7 -7.516 -3.787 -0.057
36 1HA GLY 7 2HA GLY 7 -9.991 -4.931 0.905
37 2HA GLY 7 1HA GLY 7 -8.447 -5.741 0.753
38 H GLY 8 H GLY 8 -8.174 -2.846 2.373
39 1HA GLY 8 2HA GLY 8 -8.076 -2.248 4.610
40 2HA GLY 8 1HA GLY 8 -8.862 -3.767 5.009
41 H THR 9 H THR 9 -6.308 -4.504 3.073
42 HA THR 9 HA THR 9 -4.249 -4.457 5.111
43 HB THR 9 HB THR 9 -3.897 -7.015 4.511
44 HG1 THR 9 HG1 THR 9 -6.692 -6.575 4.184
45 1HG2 THR 9 1HG2 THR 9 -5.337 -7.580 6.544
46 2HG2 THR 9 2HG2 THR 9 -5.730 -5.862 6.598
47 3HG2 THR 9 3HG2 THR 9 -4.057 -6.389 6.774
48 H CYS 10 H CYS 10 -2.179 -4.677 4.273
49 HA CYS 10 HA CYS 10 -1.981 -4.378 1.378
50 1HB CYS 10 2HB CYS 10 0.327 -4.235 3.295
51 2HB CYS 10 1HB CYS 10 0.187 -3.510 1.708
52 H ASN 11 H ASN 11 -0.199 -5.481 0.281
53 HA ASN 11 HA ASN 11 -0.196 -8.313 0.943
54 1HB ASN 11 2HB ASN 11 -0.577 -7.761 -1.376
55 2HB ASN 11 1HB ASN 11 0.852 -6.735 -1.421
56 1HD2 ASN 11 1HD2 ASN 11 2.548 -7.590 -2.340
57 2HD2 ASN 11 2HD2 ASN 11 2.901 -9.275 -2.474
58 H THR 12 H THR 12 1.922 -5.563 0.750
59 HA THR 12 HA THR 12 4.382 -6.915 1.169
60 HB THR 12 HB THR 12 3.711 -4.038 1.818
61 HG1 THR 12 HG1 THR 12 3.174 -4.546 -0.361
62 1HG2 THR 12 1HG2 THR 12 6.352 -4.643 0.747
63 2HG2 THR 12 2HG2 THR 12 6.040 -5.457 2.280
64 3HG2 THR 12 3HG2 THR 12 5.898 -3.703 2.169
65 HA PRO 13 HA PRO 13 3.800 -7.776 5.514
66 1HB PRO 13 2HB PRO 13 6.353 -8.607 6.009
67 2HB PRO 13 1HB PRO 13 5.122 -9.627 5.256
68 1HG PRO 13 2HG PRO 13 7.336 -8.073 3.985
69 2HG PRO 13 1HG PRO 13 6.741 -9.698 3.608
70 1HD PRO 13 2HD PRO 13 6.081 -7.531 2.129
71 2HD PRO 13 1HD PRO 13 4.978 -8.904 2.353
72 H GLY 14 H GLY 14 3.909 -6.463 7.185
73 1HA GLY 14 2HA GLY 14 4.688 -4.891 8.683
74 2HA GLY 14 1HA GLY 14 6.227 -4.914 7.838
75 H ALA 15 H ALA 15 3.124 -4.220 6.338
76 HA ALA 15 HA ALA 15 4.064 -1.480 5.833
77 1HB ALA 15 1HB ALA 15 2.480 -3.398 4.177
78 2HB ALA 15 2HB ALA 15 3.870 -2.410 3.727
79 3HB ALA 15 3HB ALA 15 2.286 -1.662 3.936
80 H THR 16 H THR 16 2.687 0.231 6.190
81 HA THR 16 HA THR 16 0.478 -0.295 8.007
82 HB THR 16 HB THR 16 1.264 2.451 7.127
83 HG1 THR 16 HG1 THR 16 2.857 0.608 8.470
84 1HG2 THR 16 1HG2 THR 16 0.459 1.305 9.802
85 2HG2 THR 16 2HG2 THR 16 -0.621 2.129 8.678
86 3HG2 THR 16 3HG2 THR 16 0.706 3.011 9.432
87 H CYS 17 H CYS 17 -1.621 0.443 7.642
88 HA CYS 17 HA CYS 17 -2.367 0.525 4.842
89 1HB CYS 17 2HB CYS 17 -3.565 -0.979 6.393
90 2HB CYS 17 1HB CYS 17 -4.123 0.423 7.300
91 H SER 18 H SER 18 -3.293 2.179 3.807
92 HA SER 18 HA SER 18 -4.113 4.581 5.216
93 1HB SER 18 2HB SER 18 -2.009 4.620 3.035
94 2HB SER 18 1HB SER 18 -2.712 6.037 3.815
95 HG SER 18 HG SER 18 -1.848 4.542 5.768
96 H TRP 19 H TRP 19 -5.904 3.090 4.347
97 HA TRP 19 HA TRP 19 -6.708 2.529 1.918
98 1HB TRP 19 2HB TRP 19 -8.046 2.635 4.197
99 2HB TRP 19 1HB TRP 19 -8.731 4.085 3.464
100 HD1 TRP 19 HD1 TRP 19 -8.710 0.295 3.154
101 HE1 TRP 19 HE1 TRP 19 -10.524 -0.437 1.483
102 HE3 TRP 19 HE3 TRP 19 -10.060 4.885 1.374
103 HZ2 TRP 19 HZ2 TRP 19 -12.294 0.772 -0.346
104 HZ3 TRP 19 HZ3 TRP 19 -11.828 5.015 -0.336
105 HH2 TRP 19 HH2 TRP 19 -12.921 2.999 -1.177
106 HA PRO 20 HA PRO 20 -7.488 2.279 0.382
107 1HB PRO 20 2HB PRO 20 -7.623 2.440 -2.250
108 2HB PRO 20 1HB PRO 20 -8.948 3.022 -1.241
109 1HG PRO 20 2HG PRO 20 -6.873 4.573 -2.708
110 2HG PRO 20 1HG PRO 20 -8.572 4.975 -2.408
111 1HD PRO 20 2HD PRO 20 -6.325 5.878 -0.938
112 2HD PRO 20 1HD PRO 20 -8.033 6.088 -0.508
113 H VAL 21 H VAL 21 -4.806 3.816 0.679
114 HA VAL 21 HA VAL 21 -3.283 1.974 -1.058
115 HB VAL 21 HB VAL 21 -1.423 3.688 -1.014
116 1HG1 VAL 21 1HG1 VAL 21 -3.843 3.614 -2.612
117 2HG1 VAL 21 2HG1 VAL 21 -2.162 3.791 -3.118
118 3HG1 VAL 21 3HG1 VAL 21 -3.087 5.208 -2.623
119 1HG2 VAL 21 1HG2 VAL 21 -2.945 5.002 0.794
120 2HG2 VAL 21 2HG2 VAL 21 -3.367 5.864 -0.685
121 3HG2 VAL 21 3HG2 VAL 21 -1.682 5.757 -0.178
122 H CYS 22 H CYS 22 -0.789 2.177 -0.171
123 HA CYS 22 HA CYS 22 -0.986 1.656 2.722
124 1HB CYS 22 2HB CYS 22 0.452 0.059 0.608
125 2HB CYS 22 1HB CYS 22 0.800 -0.110 2.326
126 H THR 23 H THR 23 0.896 2.013 3.961
127 HA THR 23 HA THR 23 2.983 3.645 2.686
128 HB THR 23 HB THR 23 2.979 5.074 4.791
129 HG1 THR 23 HG1 THR 23 0.285 4.562 5.200
130 1HG2 THR 23 1HG2 THR 23 1.176 5.178 2.514
131 2HG2 THR 23 2HG2 THR 23 2.089 6.474 3.289
132 3HG2 THR 23 3HG2 THR 23 0.509 6.008 3.920
133 H ARG 24 H ARG 24 4.935 3.814 4.087
134 HA ARG 24 HA ARG 24 5.143 1.848 6.204
135 1HB ARG 24 2HB ARG 24 5.617 0.693 3.956
136 2HB ARG 24 1HB ARG 24 7.084 1.661 3.906
137 1HG ARG 24 2HG ARG 24 7.914 0.643 5.895
138 2HG ARG 24 1HG ARG 24 6.378 -0.180 6.177
139 1HD ARG 24 2HD ARG 24 6.726 -1.379 4.006
140 2HD ARG 24 1HD ARG 24 8.343 -0.676 3.947
141 HE ARG 24 HE ARG 24 8.021 -1.941 6.421
142 1HH1 ARG 24 1HH1 ARG 24 8.228 -2.790 3.035
143 2HH1 ARG 24 2HH1 ARG 24 8.900 -4.358 3.333
144 1HH2 ARG 24 1HH2 ARG 24 8.916 -4.005 6.826
145 2HH2 ARG 24 2HH2 ARG 24 9.286 -5.053 5.499
146 H ASN 25 H ASN 25 6.330 2.661 7.764
147 HA ASN 25 HA ASN 25 7.691 4.014 8.964
148 1HB ASN 25 2HB ASN 25 9.317 4.217 6.417
149 2HB ASN 25 1HB ASN 25 9.875 4.606 8.039
150 1HD2 ASN 25 1HD2 ASN 25 10.282 2.452 5.763
151 2HD2 ASN 25 2HD2 ASN 25 10.517 1.016 6.692
152 H GLY 26 H GLY 26 5.461 5.146 7.535
153 1HA GLY 26 2HA GLY 26 4.539 7.266 7.472
154 2HA GLY 26 1HA GLY 26 6.114 7.924 7.887
155 H LEU 27 H LEU 27 6.202 5.809 5.230
156 HA LEU 27 HA LEU 27 6.142 8.096 3.367
157 1HB LEU 27 2HB LEU 27 7.996 5.742 3.525
158 2HB LEU 27 1HB LEU 27 7.682 6.497 1.976
159 HG LEU 27 HG LEU 27 9.706 7.417 2.787
160 1HD1 LEU 27 1HD1 LEU 27 7.582 8.976 2.125
161 2HD1 LEU 27 2HD1 LEU 27 9.237 9.552 2.336
162 3HD1 LEU 27 3HD1 LEU 27 8.080 9.685 3.661
163 1HD2 LEU 27 1HD2 LEU 27 9.604 6.812 5.101
164 2HD2 LEU 27 2HD2 LEU 27 8.259 7.918 5.380
165 3HD2 LEU 27 3HD2 LEU 27 9.857 8.554 4.987
166 HA PRO 28 HA PRO 28 2.803 5.854 1.538
167 1HB PRO 28 2HB PRO 28 3.241 7.420 -0.873
168 2HB PRO 28 1HB PRO 28 1.857 7.407 0.216
169 1HG PRO 28 2HG PRO 28 3.597 9.495 0.052
170 2HG PRO 28 1HG PRO 28 2.694 9.091 1.520
171 1HD PRO 28 2HD PRO 28 5.555 8.587 0.855
172 2HD PRO 28 1HD PRO 28 4.804 8.958 2.419
173 H VAL 29 H VAL 29 2.596 4.129 0.307
174 HA VAL 29 HA VAL 29 4.862 3.383 -1.414
175 HB VAL 29 HB VAL 29 2.841 1.513 -0.124
176 1HG1 VAL 29 1HG1 VAL 29 4.840 -0.091 -0.720
177 2HG1 VAL 29 2HG1 VAL 29 5.195 1.146 -1.926
178 3HG1 VAL 29 3HG1 VAL 29 3.631 0.331 -1.934
179 1HG2 VAL 29 1HG2 VAL 29 4.627 0.881 1.406
180 2HG2 VAL 29 2HG2 VAL 29 4.262 2.599 1.559
181 3HG2 VAL 29 3HG2 VAL 29 5.699 2.078 0.679
Start of MODEL 12
1 H ALA 1 H ALA 1 5.632 2.434 -3.159
2 HA ALA 1 HA ALA 1 3.563 3.233 -4.854
3 1HB ALA 1 1HB ALA 1 5.530 3.656 -5.867
4 2HB ALA 1 2HB ALA 1 5.249 2.073 -6.589
5 3HB ALA 1 3HB ALA 1 6.313 2.228 -5.192
6 H GLY 2 H GLY 2 1.892 2.195 -5.658
7 1HA GLY 2 2HA GLY 2 0.711 0.506 -6.721
8 2HA GLY 2 1HA GLY 2 2.082 -0.563 -6.489
9 H GLU 3 H GLU 3 2.121 0.050 -3.567
10 HA GLU 3 HA GLU 3 0.419 -2.082 -2.775
11 1HB GLU 3 2HB GLU 3 2.640 -1.384 -1.722
12 2HB GLU 3 1HB GLU 3 1.732 -0.122 -0.908
13 1HG GLU 3 2HG GLU 3 2.046 -2.063 0.515
14 2HG GLU 3 1HG GLU 3 0.341 -1.782 0.169
15 H THR 4 H THR 4 -1.678 -1.931 -2.584
16 HA THR 4 HA THR 4 -2.816 0.574 -1.584
17 HB THR 4 HB THR 4 -4.967 -0.226 -2.650
18 HG1 THR 4 HG1 THR 4 -3.203 -1.890 -4.152
19 1HG2 THR 4 1HG2 THR 4 -2.544 0.600 -4.215
20 2HG2 THR 4 2HG2 THR 4 -3.940 1.565 -3.735
21 3HG2 THR 4 3HG2 THR 4 -4.098 0.360 -5.014
22 H CYS 5 H CYS 5 -4.622 0.434 -0.162
23 HA CYS 5 HA CYS 5 -4.711 -2.121 1.304
24 1HB CYS 5 2HB CYS 5 -3.568 -0.231 2.523
25 2HB CYS 5 1HB CYS 5 -5.104 0.630 2.504
26 H VAL 6 H VAL 6 -6.368 -1.491 -0.860
27 HA VAL 6 HA VAL 6 -8.867 -0.430 -0.092
28 HB VAL 6 HB VAL 6 -8.416 -2.508 -2.236
29 1HG1 VAL 6 1HG1 VAL 6 -10.411 -1.712 -3.233
30 2HG1 VAL 6 2HG1 VAL 6 -10.493 -0.336 -2.133
31 3HG1 VAL 6 3HG1 VAL 6 -10.771 -1.969 -1.526
32 1HG2 VAL 6 1HG2 VAL 6 -8.236 -0.524 -3.769
33 2HG2 VAL 6 2HG2 VAL 6 -6.865 -0.760 -2.685
34 3HG2 VAL 6 3HG2 VAL 6 -8.066 0.480 -2.329
35 H GLY 7 H GLY 7 -7.518 -3.673 0.004
36 1HA GLY 7 2HA GLY 7 -9.982 -4.857 0.967
37 2HA GLY 7 1HA GLY 7 -8.448 -5.668 0.728
38 H GLY 8 H GLY 8 -8.077 -2.851 2.448
39 1HA GLY 8 2HA GLY 8 -7.879 -2.340 4.698
40 2HA GLY 8 1HA GLY 8 -8.696 -3.850 5.069
41 H THR 9 H THR 9 -6.190 -4.507 3.011
42 HA THR 9 HA THR 9 -4.102 -4.652 5.015
43 HB THR 9 HB THR 9 -3.816 -7.168 4.201
44 HG1 THR 9 HG1 THR 9 -6.616 -6.654 4.026
45 1HG2 THR 9 1HG2 THR 9 -3.920 -7.224 6.439
46 2HG2 THR 9 2HG2 THR 9 -5.637 -7.564 6.230
47 3HG2 THR 9 3HG2 THR 9 -5.094 -5.909 6.501
48 H CYS 10 H CYS 10 -2.048 -4.853 4.138
49 HA CYS 10 HA CYS 10 -1.883 -4.361 1.262
50 1HB CYS 10 2HB CYS 10 0.475 -4.319 3.103
51 2HB CYS 10 1HB CYS 10 0.231 -3.447 1.604
52 H ASN 11 H ASN 11 -0.221 -5.380 0.038
53 HA ASN 11 HA ASN 11 -0.149 -8.239 0.481
54 1HB ASN 11 2HB ASN 11 -0.485 -7.445 -1.784
55 2HB ASN 11 1HB ASN 11 0.972 -6.464 -1.703
56 1HD2 ASN 11 1HD2 ASN 11 2.679 -7.283 -2.642
57 2HD2 ASN 11 2HD2 ASN 11 2.983 -8.959 -2.930
58 H THR 12 H THR 12 2.054 -5.505 0.475
59 HA THR 12 HA THR 12 4.369 -7.130 1.050
60 HB THR 12 HB THR 12 4.084 -4.121 1.194
61 HG1 THR 12 HG1 THR 12 3.675 -4.704 -0.908
62 1HG2 THR 12 1HG2 THR 12 6.412 -6.002 1.304
63 2HG2 THR 12 2HG2 THR 12 6.070 -4.590 2.304
64 3HG2 THR 12 3HG2 THR 12 6.614 -4.382 0.639
65 HA PRO 13 HA PRO 13 3.482 -7.330 5.422
66 1HB PRO 13 2HB PRO 13 5.888 -8.427 6.137
67 2HB PRO 13 1HB PRO 13 4.535 -9.355 5.481
68 1HG PRO 13 2HG PRO 13 6.971 -8.316 4.093
69 2HG PRO 13 1HG PRO 13 6.163 -9.884 3.916
70 1HD PRO 13 2HD PRO 13 5.834 -7.894 2.127
71 2HD PRO 13 1HD PRO 13 4.526 -9.026 2.529
72 H GLY 14 H GLY 14 3.880 -6.054 7.149
73 1HA GLY 14 2HA GLY 14 5.038 -4.589 8.541
74 2HA GLY 14 1HA GLY 14 6.356 -4.564 7.381
75 H ALA 15 H ALA 15 3.569 -4.020 5.683
76 HA ALA 15 HA ALA 15 4.129 -1.161 5.584
77 1HB ALA 15 1HB ALA 15 2.111 -2.625 3.901
78 2HB ALA 15 2HB ALA 15 3.832 -2.624 3.516
79 3HB ALA 15 3HB ALA 15 2.937 -1.105 3.555
80 H THR 16 H THR 16 2.721 0.403 6.259
81 HA THR 16 HA THR 16 0.533 -0.474 7.961
82 HB THR 16 HB THR 16 1.231 2.401 7.508
83 HG1 THR 16 HG1 THR 16 2.864 0.431 8.584
84 1HG2 THR 16 1HG2 THR 16 -0.442 0.963 9.266
85 2HG2 THR 16 2HG2 THR 16 -0.105 2.694 9.266
86 3HG2 THR 16 3HG2 THR 16 0.886 1.603 10.235
87 H CYS 17 H CYS 17 -1.592 0.258 7.704
88 HA CYS 17 HA CYS 17 -2.393 0.541 4.962
89 1HB CYS 17 2HB CYS 17 -3.630 -0.899 6.554
90 2HB CYS 17 1HB CYS 17 -4.104 0.539 7.453
91 H SER 18 H SER 18 -3.185 2.250 3.951
92 HA SER 18 HA SER 18 -3.859 4.695 5.370
93 1HB SER 18 2HB SER 18 -1.766 4.574 3.182
94 2HB SER 18 1HB SER 18 -2.400 6.052 3.902
95 HG SER 18 HG SER 18 -1.609 4.546 5.901
96 H TRP 19 H TRP 19 -5.726 3.271 4.511
97 HA TRP 19 HA TRP 19 -6.565 2.766 2.082
98 1HB TRP 19 2HB TRP 19 -7.882 2.925 4.384
99 2HB TRP 19 1HB TRP 19 -8.541 4.371 3.621
100 HD1 TRP 19 HD1 TRP 19 -8.547 0.574 3.351
101 HE1 TRP 19 HE1 TRP 19 -10.372 -0.158 1.692
102 HE3 TRP 19 HE3 TRP 19 -9.889 5.163 1.549
103 HZ2 TRP 19 HZ2 TRP 19 -12.144 1.044 -0.135
104 HZ3 TRP 19 HZ3 TRP 19 -11.663 5.287 -0.154
105 HH2 TRP 19 HH2 TRP 19 -12.768 3.269 -0.977
106 HA PRO 20 HA PRO 20 -7.409 2.558 0.561
107 1HB PRO 20 2HB PRO 20 -7.512 2.728 -2.071
108 2HB PRO 20 1HB PRO 20 -8.811 3.382 -1.074
109 1HG PRO 20 2HG PRO 20 -6.619 4.819 -2.495
110 2HG PRO 20 1HG PRO 20 -8.307 5.300 -2.262
111 1HD PRO 20 2HD PRO 20 -6.100 6.138 -0.724
112 2HD PRO 20 1HD PRO 20 -7.812 6.363 -0.318
113 H VAL 21 H VAL 21 -4.636 3.953 0.863
114 HA VAL 21 HA VAL 21 -3.233 2.007 -0.853
115 HB VAL 21 HB VAL 21 -1.289 3.570 -0.933
116 1HG1 VAL 21 1HG1 VAL 21 -3.774 3.698 -2.388
117 2HG1 VAL 21 2HG1 VAL 21 -2.119 3.844 -2.980
118 3HG1 VAL 21 3HG1 VAL 21 -2.969 5.268 -2.379
119 1HG2 VAL 21 1HG2 VAL 21 -2.643 4.992 0.974
120 2HG2 VAL 21 2HG2 VAL 21 -2.932 5.940 -0.485
121 3HG2 VAL 21 3HG2 VAL 21 -1.281 5.589 0.025
122 H CYS 22 H CYS 22 -0.702 2.171 0.002
123 HA CYS 22 HA CYS 22 -0.850 1.654 2.899
124 1HB CYS 22 2HB CYS 22 0.437 -0.009 0.740
125 2HB CYS 22 1HB CYS 22 0.861 -0.183 2.441
126 H THR 23 H THR 23 0.913 2.230 4.126
127 HA THR 23 HA THR 23 3.154 3.528 2.732
128 HB THR 23 HB THR 23 3.175 5.320 4.454
129 HG1 THR 23 HG1 THR 23 0.527 4.871 5.171
130 1HG2 THR 23 1HG2 THR 23 2.065 6.532 2.950
131 2HG2 THR 23 2HG2 THR 23 0.533 5.908 3.562
132 3HG2 THR 23 3HG2 THR 23 1.379 5.059 2.267
133 H ARG 24 H ARG 24 5.132 3.387 3.784
134 HA ARG 24 HA ARG 24 5.172 1.615 6.132
135 1HB ARG 24 2HB ARG 24 6.234 0.663 4.090
136 2HB ARG 24 1HB ARG 24 7.337 2.033 4.054
137 1HG ARG 24 2HG ARG 24 8.234 1.352 6.235
138 2HG ARG 24 1HG ARG 24 7.149 -0.041 6.231
139 1HD ARG 24 2HD ARG 24 9.214 0.512 4.109
140 2HD ARG 24 1HD ARG 24 9.478 -0.548 5.491
141 HE ARG 24 HE ARG 24 8.012 -1.140 3.102
142 1HH1 ARG 24 1HH1 ARG 24 8.355 -1.938 6.494
143 2HH1 ARG 24 2HH1 ARG 24 7.609 -3.491 6.334
144 1HH2 ARG 24 1HH2 ARG 24 7.030 -3.199 2.893
145 2HH2 ARG 24 2HH2 ARG 24 6.853 -4.215 4.292
146 H ASN 25 H ASN 25 5.419 2.815 7.875
147 HA ASN 25 HA ASN 25 6.155 4.366 9.352
148 1HB ASN 25 2HB ASN 25 8.601 4.458 7.567
149 2HB ASN 25 1HB ASN 25 8.495 5.141 9.185
150 1HD2 ASN 25 1HD2 ASN 25 9.875 2.764 7.660
151 2HD2 ASN 25 2HD2 ASN 25 9.803 1.503 8.839
152 H GLY 26 H GLY 26 4.486 5.203 7.215
153 1HA GLY 26 2HA GLY 26 3.560 7.329 6.840
154 2HA GLY 26 1HA GLY 26 5.093 8.054 7.296
155 H LEU 27 H LEU 27 6.311 5.947 5.320
156 HA LEU 27 HA LEU 27 6.175 7.756 3.039
157 1HB LEU 27 2HB LEU 27 8.364 6.941 3.838
158 2HB LEU 27 1HB LEU 27 7.869 5.295 3.497
159 HG LEU 27 HG LEU 27 7.681 5.912 1.083
160 1HD1 LEU 27 1HD1 LEU 27 7.476 8.410 1.682
161 2HD1 LEU 27 2HD1 LEU 27 8.394 7.955 0.247
162 3HD1 LEU 27 3HD1 LEU 27 9.239 8.383 1.735
163 1HD2 LEU 27 1HD2 LEU 27 10.135 5.763 2.675
164 2HD2 LEU 27 2HD2 LEU 27 10.346 6.450 1.064
165 3HD2 LEU 27 3HD2 LEU 27 9.644 4.845 1.253
166 HA PRO 28 HA PRO 28 2.989 5.191 1.253
167 1HB PRO 28 2HB PRO 28 3.635 6.595 -1.230
168 2HB PRO 28 1HB PRO 28 2.106 6.496 -0.363
169 1HG PRO 28 2HG PRO 28 3.608 8.752 -0.410
170 2HG PRO 28 1HG PRO 28 2.572 8.309 0.958
171 1HD PRO 28 2HD PRO 28 5.530 8.157 0.692
172 2HD PRO 28 1HD PRO 28 4.536 8.448 2.132
173 H VAL 29 H VAL 29 3.001 3.348 0.216
174 HA VAL 29 HA VAL 29 5.496 2.474 -1.032
175 HB VAL 29 HB VAL 29 3.114 0.785 -0.185
176 1HG1 VAL 29 1HG1 VAL 29 5.854 -0.316 -0.544
177 2HG1 VAL 29 2HG1 VAL 29 4.936 0.073 -1.999
178 3HG1 VAL 29 3HG1 VAL 29 4.285 -1.069 -0.825
179 1HG2 VAL 29 1HG2 VAL 29 3.861 0.886 1.900
180 2HG2 VAL 29 2HG2 VAL 29 5.103 2.036 1.404
181 3HG2 VAL 29 3HG2 VAL 29 5.443 0.306 1.379
Start of MODEL 13
1 H ALA 1 H ALA 1 5.232 2.720 -3.229
2 HA ALA 1 HA ALA 1 2.964 3.432 -4.734
3 1HB ALA 1 1HB ALA 1 4.713 2.590 -6.626
4 2HB ALA 1 2HB ALA 1 5.798 2.891 -5.269
5 3HB ALA 1 3HB ALA 1 4.751 4.180 -5.865
6 H GLY 2 H GLY 2 1.455 2.263 -5.712
7 1HA GLY 2 2HA GLY 2 0.525 0.472 -6.880
8 2HA GLY 2 1HA GLY 2 1.967 -0.470 -6.538
9 H GLU 3 H GLU 3 1.860 0.083 -3.673
10 HA GLU 3 HA GLU 3 0.174 -2.092 -2.930
11 1HB GLU 3 2HB GLU 3 2.390 -1.422 -1.863
12 2HB GLU 3 1HB GLU 3 1.501 -0.144 -1.055
13 1HG GLU 3 2HG GLU 3 1.716 -1.974 0.442
14 2HG GLU 3 1HG GLU 3 0.031 -1.864 -0.061
15 H THR 4 H THR 4 -1.938 -1.929 -2.732
16 HA THR 4 HA THR 4 -3.051 0.582 -1.713
17 HB THR 4 HB THR 4 -5.217 -0.207 -2.754
18 HG1 THR 4 HG1 THR 4 -3.453 -1.915 -4.214
19 1HG2 THR 4 1HG2 THR 4 -2.854 0.916 -4.051
20 2HG2 THR 4 2HG2 THR 4 -4.534 1.451 -4.100
21 3HG2 THR 4 3HG2 THR 4 -3.983 0.177 -5.187
22 H CYS 5 H CYS 5 -4.819 0.465 -0.257
23 HA CYS 5 HA CYS 5 -4.905 -2.088 1.214
24 1HB CYS 5 2HB CYS 5 -3.776 -0.171 2.413
25 2HB CYS 5 1HB CYS 5 -5.328 0.660 2.409
26 H VAL 6 H VAL 6 -6.586 -1.538 -0.936
27 HA VAL 6 HA VAL 6 -9.083 -0.466 -0.178
28 HB VAL 6 HB VAL 6 -8.634 -2.608 -2.259
29 1HG1 VAL 6 1HG1 VAL 6 -10.722 -2.222 -3.015
30 2HG1 VAL 6 2HG1 VAL 6 -10.655 -0.501 -2.637
31 3HG1 VAL 6 3HG1 VAL 6 -10.992 -1.670 -1.361
32 1HG2 VAL 6 1HG2 VAL 6 -7.110 -0.686 -2.574
33 2HG2 VAL 6 2HG2 VAL 6 -8.512 0.382 -2.629
34 3HG2 VAL 6 3HG2 VAL 6 -8.292 -0.847 -3.874
35 H GLY 7 H GLY 7 -7.733 -3.711 -0.035
36 1HA GLY 7 2HA GLY 7 -10.177 -4.827 1.081
37 2HA GLY 7 1HA GLY 7 -8.693 -5.688 0.729
38 H GLY 8 H GLY 8 -8.130 -2.867 2.395
39 1HA GLY 8 2HA GLY 8 -7.620 -2.353 4.584
40 2HA GLY 8 1HA GLY 8 -8.601 -3.724 5.061
41 H THR 9 H THR 9 -6.107 -4.364 2.848
42 HA THR 9 HA THR 9 -4.130 -5.027 4.860
43 HB THR 9 HB THR 9 -4.021 -7.378 3.587
44 HG1 THR 9 HG1 THR 9 -6.794 -6.691 3.612
45 1HG2 THR 9 1HG2 THR 9 -5.218 -6.447 6.083
46 2HG2 THR 9 2HG2 THR 9 -4.149 -7.818 5.782
47 3HG2 THR 9 3HG2 THR 9 -5.885 -7.979 5.519
48 H CYS 10 H CYS 10 -2.048 -5.296 4.008
49 HA CYS 10 HA CYS 10 -1.772 -4.626 1.150
50 1HB CYS 10 2HB CYS 10 0.412 -4.127 3.128
51 2HB CYS 10 1HB CYS 10 0.128 -3.358 1.582
52 H ASN 11 H ASN 11 0.104 -5.453 0.102
53 HA ASN 11 HA ASN 11 0.615 -8.223 0.794
54 1HB ASN 11 2HB ASN 11 0.242 -7.698 -1.540
55 2HB ASN 11 1HB ASN 11 1.513 -6.481 -1.516
56 1HD2 ASN 11 1HD2 ASN 11 3.380 -7.078 -2.310
57 2HD2 ASN 11 2HD2 ASN 11 3.963 -8.699 -2.441
58 H THR 12 H THR 12 2.307 -5.158 0.650
59 HA THR 12 HA THR 12 4.917 -6.110 1.156
60 HB THR 12 HB THR 12 3.699 -3.404 1.762
61 HG1 THR 12 HG1 THR 12 3.683 -3.928 -0.466
62 1HG2 THR 12 1HG2 THR 12 5.859 -2.533 2.057
63 2HG2 THR 12 2HG2 THR 12 6.627 -3.975 1.393
64 3HG2 THR 12 3HG2 THR 12 5.867 -4.033 2.984
65 HA PRO 13 HA PRO 13 4.411 -7.362 5.398
66 1HB PRO 13 2HB PRO 13 7.352 -7.303 5.455
67 2HB PRO 13 1HB PRO 13 6.252 -8.656 5.725
68 1HG PRO 13 2HG PRO 13 7.747 -8.451 3.504
69 2HG PRO 13 1HG PRO 13 6.132 -9.179 3.489
70 1HD PRO 13 2HD PRO 13 7.003 -6.466 2.582
71 2HD PRO 13 1HD PRO 13 5.799 -7.561 1.875
72 H GLY 14 H GLY 14 4.175 -6.193 7.162
73 1HA GLY 14 2HA GLY 14 4.458 -4.574 8.768
74 2HA GLY 14 1HA GLY 14 6.055 -4.277 8.098
75 H ALA 15 H ALA 15 3.177 -4.043 6.137
76 HA ALA 15 HA ALA 15 3.724 -1.201 5.775
77 1HB ALA 15 1HB ALA 15 3.149 -3.136 3.955
78 2HB ALA 15 2HB ALA 15 2.931 -1.406 3.685
79 3HB ALA 15 3HB ALA 15 1.565 -2.399 4.193
80 H THR 16 H THR 16 2.364 0.378 6.355
81 HA THR 16 HA THR 16 0.152 -0.313 8.110
82 HB THR 16 HB THR 16 0.878 2.506 7.450
83 HG1 THR 16 HG1 THR 16 2.578 0.611 8.530
84 1HG2 THR 16 1HG2 THR 16 0.337 2.875 9.785
85 2HG2 THR 16 2HG2 THR 16 0.196 1.137 10.053
86 3HG2 THR 16 3HG2 THR 16 -0.963 1.966 9.013
87 H CYS 17 H CYS 17 -1.961 0.398 7.746
88 HA CYS 17 HA CYS 17 -2.672 0.587 4.962
89 1HB CYS 17 2HB CYS 17 -3.957 -0.825 6.552
90 2HB CYS 17 1HB CYS 17 -4.479 0.636 7.384
91 H SER 18 H SER 18 -3.382 2.295 3.885
92 HA SER 18 HA SER 18 -4.097 4.757 5.266
93 1HB SER 18 2HB SER 18 -1.992 4.617 3.092
94 2HB SER 18 1HB SER 18 -2.597 6.093 3.844
95 HG SER 18 HG SER 18 -1.845 4.593 5.830
96 H TRP 19 H TRP 19 -5.961 3.333 4.398
97 HA TRP 19 HA TRP 19 -6.772 2.811 1.962
98 1HB TRP 19 2HB TRP 19 -8.115 3.000 4.252
99 2HB TRP 19 1HB TRP 19 -8.764 4.435 3.459
100 HD1 TRP 19 HD1 TRP 19 -8.764 0.634 3.241
101 HE1 TRP 19 HE1 TRP 19 -10.572 -0.123 1.575
102 HE3 TRP 19 HE3 TRP 19 -10.088 5.196 1.360
103 HZ2 TRP 19 HZ2 TRP 19 -12.324 1.054 -0.289
104 HZ3 TRP 19 HZ3 TRP 19 -11.844 5.296 -0.363
105 HH2 TRP 19 HH2 TRP 19 -12.938 3.266 -1.170
106 HA PRO 20 HA PRO 20 -7.585 2.593 0.436
107 1HB PRO 20 2HB PRO 20 -7.689 2.744 -2.193
108 2HB PRO 20 1HB PRO 20 -8.987 3.414 -1.203
109 1HG PRO 20 2HG PRO 20 -6.784 4.829 -2.633
110 2HG PRO 20 1HG PRO 20 -8.472 5.319 -2.410
111 1HD PRO 20 2HD PRO 20 -6.264 6.158 -0.868
112 2HD PRO 20 1HD PRO 20 -7.977 6.398 -0.475
113 H VAL 21 H VAL 21 -4.821 3.998 0.742
114 HA VAL 21 HA VAL 21 -3.398 2.063 -0.975
115 HB VAL 21 HB VAL 21 -1.442 3.630 -0.972
116 1HG1 VAL 21 1HG1 VAL 21 -3.679 3.524 -2.623
117 2HG1 VAL 21 2HG1 VAL 21 -2.099 4.200 -3.021
118 3HG1 VAL 21 3HG1 VAL 21 -3.373 5.244 -2.391
119 1HG2 VAL 21 1HG2 VAL 21 -1.471 5.567 0.114
120 2HG2 VAL 21 2HG2 VAL 21 -3.006 5.077 0.831
121 3HG2 VAL 21 3HG2 VAL 21 -2.991 6.036 -0.648
122 H CYS 22 H CYS 22 -0.908 2.123 -0.101
123 HA CYS 22 HA CYS 22 -1.096 1.589 2.791
124 1HB CYS 22 2HB CYS 22 0.230 -0.049 0.636
125 2HB CYS 22 1HB CYS 22 0.587 -0.262 2.346
126 H THR 23 H THR 23 0.706 2.012 4.041
127 HA THR 23 HA THR 23 2.903 3.444 2.708
128 HB THR 23 HB THR 23 3.023 4.868 4.821
129 HG1 THR 23 HG1 THR 23 0.297 4.515 5.223
130 1HG2 THR 23 1HG2 THR 23 0.849 5.067 2.770
131 2HG2 THR 23 2HG2 THR 23 2.304 6.047 2.958
132 3HG2 THR 23 3HG2 THR 23 0.950 6.257 4.068
133 H ARG 24 H ARG 24 4.848 3.589 4.163
134 HA ARG 24 HA ARG 24 5.070 1.520 6.178
135 1HB ARG 24 2HB ARG 24 5.521 0.239 4.178
136 2HB ARG 24 1HB ARG 24 6.630 1.468 3.588
137 1HG ARG 24 2HG ARG 24 8.125 0.973 5.495
138 2HG ARG 24 1HG ARG 24 7.035 -0.333 5.965
139 1HD ARG 24 2HD ARG 24 9.025 -1.043 4.604
140 2HD ARG 24 1HD ARG 24 7.459 -1.528 3.957
141 HE ARG 24 HE ARG 24 7.954 -0.345 2.086
142 1HH1 ARG 24 1HH1 ARG 24 9.878 0.995 4.693
143 2HH1 ARG 24 2HH1 ARG 24 10.627 2.196 3.696
144 1HH2 ARG 24 1HH2 ARG 24 8.951 1.236 0.767
145 2HH2 ARG 24 2HH2 ARG 24 10.104 2.328 1.457
146 H ASN 25 H ASN 25 6.105 2.440 7.787
147 HA ASN 25 HA ASN 25 7.421 3.814 9.021
148 1HB ASN 25 2HB ASN 25 9.134 2.471 7.546
149 2HB ASN 25 1HB ASN 25 9.385 4.026 6.761
150 1HD2 ASN 25 1HD2 ASN 25 10.614 2.070 9.015
151 2HD2 ASN 25 2HD2 ASN 25 11.351 3.223 10.066
152 H GLY 26 H GLY 26 5.372 5.042 7.645
153 1HA GLY 26 2HA GLY 26 4.606 7.186 7.318
154 2HA GLY 26 1HA GLY 26 6.212 7.767 7.718
155 H LEU 27 H LEU 27 6.251 5.485 5.204
156 HA LEU 27 HA LEU 27 6.277 7.648 3.197
157 1HB LEU 27 2HB LEU 27 8.018 5.176 3.293
158 2HB LEU 27 1HB LEU 27 7.996 6.342 1.985
159 HG LEU 27 HG LEU 27 8.836 6.949 4.822
160 1HD1 LEU 27 1HD1 LEU 27 10.284 5.403 3.312
161 2HD1 LEU 27 2HD1 LEU 27 11.040 6.733 4.189
162 3HD1 LEU 27 3HD1 LEU 27 10.675 6.902 2.471
163 1HD2 LEU 27 1HD2 LEU 27 9.626 8.728 2.631
164 2HD2 LEU 27 2HD2 LEU 27 9.033 9.109 4.247
165 3HD2 LEU 27 3HD2 LEU 27 7.894 8.703 2.963
166 HA PRO 28 HA PRO 28 2.989 5.224 1.457
167 1HB PRO 28 2HB PRO 28 3.509 6.658 -1.036
168 2HB PRO 28 1HB PRO 28 2.056 6.635 -0.040
169 1HG PRO 28 2HG PRO 28 3.680 8.798 -0.191
170 2HG PRO 28 1HG PRO 28 2.751 8.392 1.261
171 1HD PRO 28 2HD PRO 28 5.656 8.021 0.702
172 2HD PRO 28 1HD PRO 28 4.839 8.420 2.227
173 H VAL 29 H VAL 29 2.828 3.423 0.287
174 HA VAL 29 HA VAL 29 5.243 2.525 -1.111
175 HB VAL 29 HB VAL 29 2.884 0.848 -0.180
176 1HG1 VAL 29 1HG1 VAL 29 5.585 -0.272 -0.732
177 2HG1 VAL 29 2HG1 VAL 29 4.588 0.173 -2.117
178 3HG1 VAL 29 3HG1 VAL 29 3.992 -1.000 -0.942
179 1HG2 VAL 29 1HG2 VAL 29 4.387 0.087 1.610
180 2HG2 VAL 29 2HG2 VAL 29 4.039 1.812 1.729
181 3HG2 VAL 29 3HG2 VAL 29 5.592 1.265 1.094
Start of MODEL 14
1 H ALA 1 H ALA 1 5.825 1.864 -2.945
2 HA ALA 1 HA ALA 1 4.078 2.876 -4.877
3 1HB ALA 1 1HB ALA 1 5.740 1.626 -6.459
4 2HB ALA 1 2HB ALA 1 6.649 1.373 -4.969
5 3HB ALA 1 3HB ALA 1 6.278 3.011 -5.510
6 H GLY 2 H GLY 2 2.348 2.046 -5.753
7 1HA GLY 2 2HA GLY 2 0.897 0.568 -6.735
8 2HA GLY 2 1HA GLY 2 2.221 -0.581 -6.815
9 H GLU 3 H GLU 3 1.540 0.613 -3.674
10 HA GLU 3 HA GLU 3 0.231 -1.945 -3.048
11 1HB GLU 3 2HB GLU 3 2.431 -1.385 -1.941
12 2HB GLU 3 1HB GLU 3 1.605 -0.072 -1.123
13 1HG GLU 3 2HG GLU 3 1.701 -1.863 0.392
14 2HG GLU 3 1HG GLU 3 0.037 -1.771 -0.178
15 H THR 4 H THR 4 -1.893 -1.734 -2.946
16 HA THR 4 HA THR 4 -3.014 0.723 -1.794
17 HB THR 4 HB THR 4 -5.158 0.034 -2.840
18 HG1 THR 4 HG1 THR 4 -3.847 -2.239 -3.242
19 1HG2 THR 4 1HG2 THR 4 -3.787 0.138 -5.293
20 2HG2 THR 4 2HG2 THR 4 -2.797 1.035 -4.141
21 3HG2 THR 4 3HG2 THR 4 -4.484 1.486 -4.392
22 H CYS 5 H CYS 5 -4.725 0.560 -0.296
23 HA CYS 5 HA CYS 5 -4.821 -2.047 1.075
24 1HB CYS 5 2HB CYS 5 -3.665 -0.157 2.324
25 2HB CYS 5 1HB CYS 5 -5.236 0.635 2.407
26 H VAL 6 H VAL 6 -6.531 -1.459 -1.016
27 HA VAL 6 HA VAL 6 -8.995 -0.343 -0.226
28 HB VAL 6 HB VAL 6 -8.606 -2.497 -2.309
29 1HG1 VAL 6 1HG1 VAL 6 -10.934 -2.095 -1.715
30 2HG1 VAL 6 2HG1 VAL 6 -10.593 -1.520 -3.347
31 3HG1 VAL 6 3HG1 VAL 6 -10.722 -0.370 -2.015
32 1HG2 VAL 6 1HG2 VAL 6 -8.765 -0.082 -3.632
33 2HG2 VAL 6 2HG2 VAL 6 -7.300 -1.029 -3.371
34 3HG2 VAL 6 3HG2 VAL 6 -7.721 0.271 -2.255
35 H GLY 7 H GLY 7 -7.729 -3.629 -0.109
36 1HA GLY 7 2HA GLY 7 -10.187 -4.671 1.049
37 2HA GLY 7 1HA GLY 7 -8.741 -5.578 0.658
38 H GLY 8 H GLY 8 -8.084 -2.780 2.351
39 1HA GLY 8 2HA GLY 8 -7.489 -2.315 4.530
40 2HA GLY 8 1HA GLY 8 -8.519 -3.648 5.014
41 H THR 9 H THR 9 -6.045 -4.276 2.754
42 HA THR 9 HA THR 9 -4.105 -5.111 4.737
43 HB THR 9 HB THR 9 -4.058 -7.387 3.325
44 HG1 THR 9 HG1 THR 9 -6.816 -6.644 3.409
45 1HG2 THR 9 1HG2 THR 9 -5.841 -8.161 5.189
46 2HG2 THR 9 2HG2 THR 9 -5.381 -6.589 5.843
47 3HG2 THR 9 3HG2 THR 9 -4.149 -7.815 5.548
48 H CYS 10 H CYS 10 -2.027 -5.396 3.883
49 HA CYS 10 HA CYS 10 -1.710 -4.613 1.058
50 1HB CYS 10 2HB CYS 10 0.426 -4.170 3.109
51 2HB CYS 10 1HB CYS 10 0.221 -3.393 1.556
52 H ASN 11 H ASN 11 0.196 -5.401 0.028
53 HA ASN 11 HA ASN 11 0.688 -8.195 0.638
54 1HB ASN 11 2HB ASN 11 0.366 -7.587 -1.688
55 2HB ASN 11 1HB ASN 11 1.644 -6.382 -1.594
56 1HD2 ASN 11 1HD2 ASN 11 3.509 -6.967 -2.397
57 2HD2 ASN 11 2HD2 ASN 11 4.090 -8.587 -2.557
58 H THR 12 H THR 12 2.371 -5.126 0.640
59 HA THR 12 HA THR 12 4.971 -6.093 1.182
60 HB THR 12 HB THR 12 3.744 -3.404 1.836
61 HG1 THR 12 HG1 THR 12 3.738 -3.874 -0.407
62 1HG2 THR 12 1HG2 THR 12 6.348 -2.869 1.472
63 2HG2 THR 12 2HG2 THR 12 6.482 -4.493 2.148
64 3HG2 THR 12 3HG2 THR 12 5.656 -3.225 3.056
65 HA PRO 13 HA PRO 13 4.332 -7.398 5.393
66 1HB PRO 13 2HB PRO 13 6.972 -7.729 6.019
67 2HB PRO 13 1HB PRO 13 6.018 -8.913 5.119
68 1HG PRO 13 2HG PRO 13 7.934 -6.857 4.104
69 2HG PRO 13 1HG PRO 13 7.699 -8.533 3.582
70 1HD PRO 13 2HD PRO 13 6.696 -6.437 2.203
71 2HD PRO 13 1HD PRO 13 5.872 -8.008 2.276
72 H GLY 14 H GLY 14 4.049 -6.259 7.155
73 1HA GLY 14 2HA GLY 14 4.296 -4.676 8.801
74 2HA GLY 14 1HA GLY 14 5.933 -4.421 8.219
75 H ALA 15 H ALA 15 3.013 -4.023 6.289
76 HA ALA 15 HA ALA 15 3.720 -1.197 5.959
77 1HB ALA 15 1HB ALA 15 3.369 -2.874 3.994
78 2HB ALA 15 2HB ALA 15 2.720 -1.238 3.877
79 3HB ALA 15 3HB ALA 15 1.656 -2.582 4.297
80 H THR 16 H THR 16 2.337 0.415 6.526
81 HA THR 16 HA THR 16 0.091 -0.324 8.215
82 HB THR 16 HB THR 16 0.779 2.514 7.619
83 HG1 THR 16 HG1 THR 16 2.388 0.659 9.036
84 1HG2 THR 16 1HG2 THR 16 -1.067 1.987 9.135
85 2HG2 THR 16 2HG2 THR 16 0.245 2.793 9.996
86 3HG2 THR 16 3HG2 THR 16 0.028 1.049 10.150
87 H CYS 17 H CYS 17 -2.015 0.320 7.818
88 HA CYS 17 HA CYS 17 -2.660 0.619 5.021
89 1HB CYS 17 2HB CYS 17 -3.874 -0.990 6.467
90 2HB CYS 17 1HB CYS 17 -4.527 0.366 7.381
91 H SER 18 H SER 18 -3.310 2.354 4.043
92 HA SER 18 HA SER 18 -4.314 4.656 5.527
93 1HB SER 18 2HB SER 18 -2.080 4.724 3.480
94 2HB SER 18 1HB SER 18 -2.915 6.157 4.079
95 HG SER 18 HG SER 18 -0.824 4.998 5.146
96 H TRP 19 H TRP 19 -6.077 3.225 4.594
97 HA TRP 19 HA TRP 19 -6.822 2.689 2.138
98 1HB TRP 19 2HB TRP 19 -8.209 2.767 4.385
99 2HB TRP 19 1HB TRP 19 -8.872 4.230 3.662
100 HD1 TRP 19 HD1 TRP 19 -8.860 0.446 3.292
101 HE1 TRP 19 HE1 TRP 19 -10.650 -0.249 1.579
102 HE3 TRP 19 HE3 TRP 19 -10.156 5.072 1.562
103 HZ2 TRP 19 HZ2 TRP 19 -12.384 0.999 -0.260
104 HZ3 TRP 19 HZ3 TRP 19 -11.893 5.239 -0.176
105 HH2 TRP 19 HH2 TRP 19 -12.983 3.243 -1.067
106 HA PRO 20 HA PRO 20 -7.525 2.458 0.574
107 1HB PRO 20 2HB PRO 20 -7.662 2.672 -2.051
108 2HB PRO 20 1HB PRO 20 -8.992 3.223 -1.031
109 1HG PRO 20 2HG PRO 20 -6.944 4.818 -2.481
110 2HG PRO 20 1HG PRO 20 -8.639 5.206 -2.147
111 1HD PRO 20 2HD PRO 20 -6.359 6.063 -0.682
112 2HD PRO 20 1HD PRO 20 -8.063 6.303 -0.251
113 H VAL 21 H VAL 21 -4.866 3.909 0.992
114 HA VAL 21 HA VAL 21 -3.320 2.190 -0.852
115 HB VAL 21 HB VAL 21 -1.474 3.889 -0.757
116 1HG1 VAL 21 1HG1 VAL 21 -3.807 5.209 -2.042
117 2HG1 VAL 21 2HG1 VAL 21 -3.373 3.582 -2.565
118 3HG1 VAL 21 3HG1 VAL 21 -2.195 4.890 -2.682
119 1HG2 VAL 21 1HG2 VAL 21 -2.474 5.100 1.229
120 2HG2 VAL 21 2HG2 VAL 21 -3.603 5.833 0.089
121 3HG2 VAL 21 3HG2 VAL 21 -1.870 6.111 -0.084
122 H CYS 22 H CYS 22 -0.912 2.104 -0.026
123 HA CYS 22 HA CYS 22 -1.036 1.525 2.863
124 1HB CYS 22 2HB CYS 22 0.359 0.021 0.649
125 2HB CYS 22 1HB CYS 22 0.663 -0.271 2.359
126 H THR 23 H THR 23 0.655 2.111 4.137
127 HA THR 23 HA THR 23 2.905 3.497 2.845
128 HB THR 23 HB THR 23 2.816 5.110 4.837
129 HG1 THR 23 HG1 THR 23 1.135 3.704 5.878
130 1HG2 THR 23 1HG2 THR 23 1.197 5.081 2.398
131 2HG2 THR 23 2HG2 THR 23 2.216 6.357 3.067
132 3HG2 THR 23 3HG2 THR 23 0.566 6.149 3.654
133 H ARG 24 H ARG 24 4.880 3.249 3.834
134 HA ARG 24 HA ARG 24 4.950 1.699 6.333
135 1HB ARG 24 2HB ARG 24 5.387 0.134 4.517
136 2HB ARG 24 1HB ARG 24 6.607 1.206 3.847
137 1HG ARG 24 2HG ARG 24 8.032 0.844 5.766
138 2HG ARG 24 1HG ARG 24 6.786 -0.145 6.533
139 1HD ARG 24 2HD ARG 24 6.983 -1.830 4.860
140 2HD ARG 24 1HD ARG 24 8.001 -0.800 3.857
141 HE ARG 24 HE ARG 24 9.796 -1.538 5.030
142 1HH1 ARG 24 1HH1 ARG 24 6.956 -2.078 7.020
143 2HH1 ARG 24 2HH1 ARG 24 7.846 -2.848 8.291
144 1HH2 ARG 24 1HH2 ARG 24 10.959 -2.563 6.708
145 2HH2 ARG 24 2HH2 ARG 24 10.121 -3.128 8.113
146 H ASN 25 H ASN 25 6.199 2.606 7.820
147 HA ASN 25 HA ASN 25 7.596 4.053 8.873
148 1HB ASN 25 2HB ASN 25 9.249 2.687 7.476
149 2HB ASN 25 1HB ASN 25 9.281 4.052 6.367
150 1HD2 ASN 25 1HD2 ASN 25 10.883 5.411 6.691
151 2HD2 ASN 25 2HD2 ASN 25 11.669 5.722 8.195
152 H GLY 26 H GLY 26 5.397 5.152 7.492
153 1HA GLY 26 2HA GLY 26 4.549 7.251 7.093
154 2HA GLY 26 1HA GLY 26 6.133 7.903 7.479
155 H LEU 27 H LEU 27 6.056 5.512 5.014
156 HA LEU 27 HA LEU 27 6.061 7.592 2.936
157 1HB LEU 27 2HB LEU 27 8.375 6.885 3.501
158 2HB LEU 27 1HB LEU 27 7.943 5.234 3.102
159 HG LEU 27 HG LEU 27 7.454 6.022 0.761
160 1HD1 LEU 27 1HD1 LEU 27 8.619 8.165 0.133
161 2HD1 LEU 27 2HD1 LEU 27 8.678 8.542 1.855
162 3HD1 LEU 27 3HD1 LEU 27 7.123 8.346 1.048
163 1HD2 LEU 27 1HD2 LEU 27 9.595 5.598 0.116
164 2HD2 LEU 27 2HD2 LEU 27 9.700 5.077 1.798
165 3HD2 LEU 27 3HD2 LEU 27 10.293 6.671 1.329
166 HA PRO 28 HA PRO 28 2.943 4.894 1.283
167 1HB PRO 28 2HB PRO 28 3.460 6.187 -1.290
168 2HB PRO 28 1HB PRO 28 1.977 6.136 -0.341
169 1HG PRO 28 2HG PRO 28 3.471 8.382 -0.585
170 2HG PRO 28 1HG PRO 28 2.515 8.015 0.860
171 1HD PRO 28 2HD PRO 28 5.454 7.811 0.427
172 2HD PRO 28 1HD PRO 28 4.553 8.226 1.899
173 H VAL 29 H VAL 29 2.938 3.006 0.262
174 HA VAL 29 HA VAL 29 5.464 2.085 -0.852
175 HB VAL 29 HB VAL 29 2.951 0.479 -0.286
176 1HG1 VAL 29 1HG1 VAL 29 5.650 -0.746 -0.364
177 2HG1 VAL 29 2HG1 VAL 29 4.957 -0.254 -1.909
178 3HG1 VAL 29 3HG1 VAL 29 4.094 -1.395 -0.879
179 1HG2 VAL 29 1HG2 VAL 29 4.895 1.590 1.500
180 2HG2 VAL 29 2HG2 VAL 29 5.012 -0.171 1.516
181 3HG2 VAL 29 3HG2 VAL 29 3.471 0.615 1.866
Start of MODEL 15
1 H ALA 1 H ALA 1 5.002 2.961 -3.396
2 HA ALA 1 HA ALA 1 2.611 3.486 -4.802
3 1HB ALA 1 1HB ALA 1 4.133 4.361 -6.157
4 2HB ALA 1 2HB ALA 1 4.532 2.726 -6.683
5 3HB ALA 1 3HB ALA 1 5.430 3.470 -5.359
6 H GLY 2 H GLY 2 1.209 2.191 -5.783
7 1HA GLY 2 2HA GLY 2 0.546 0.320 -7.060
8 2HA GLY 2 1HA GLY 2 1.990 -0.525 -6.522
9 H GLU 3 H GLU 3 1.685 -0.001 -3.750
10 HA GLU 3 HA GLU 3 -0.096 -2.125 -3.083
11 1HB GLU 3 2HB GLU 3 1.514 -0.219 -1.390
12 2HB GLU 3 1HB GLU 3 0.524 -1.509 -0.719
13 1HG GLU 3 2HG GLU 3 2.543 -2.134 -2.786
14 2HG GLU 3 1HG GLU 3 3.061 -1.865 -1.127
15 H THR 4 H THR 4 -2.184 -1.975 -2.802
16 HA THR 4 HA THR 4 -3.276 0.592 -1.907
17 HB THR 4 HB THR 4 -5.457 -0.217 -2.860
18 HG1 THR 4 HG1 THR 4 -3.834 -1.977 -4.402
19 1HG2 THR 4 1HG2 THR 4 -4.372 0.044 -5.345
20 2HG2 THR 4 2HG2 THR 4 -3.094 0.724 -4.337
21 3HG2 THR 4 3HG2 THR 4 -4.725 1.391 -4.262
22 H CYS 5 H CYS 5 -4.881 0.561 -0.344
23 HA CYS 5 HA CYS 5 -5.038 -1.971 1.152
24 1HB CYS 5 2HB CYS 5 -3.709 -0.075 2.235
25 2HB CYS 5 1HB CYS 5 -5.245 0.771 2.405
26 H VAL 6 H VAL 6 -6.799 -1.349 -0.884
27 HA VAL 6 HA VAL 6 -9.169 -0.089 -0.005
28 HB VAL 6 HB VAL 6 -8.963 -2.268 -2.089
29 1HG1 VAL 6 1HG1 VAL 6 -10.866 -0.284 -2.745
30 2HG1 VAL 6 2HG1 VAL 6 -11.157 -0.766 -1.074
31 3HG1 VAL 6 3HG1 VAL 6 -11.146 -1.981 -2.353
32 1HG2 VAL 6 1HG2 VAL 6 -9.089 0.377 -3.183
33 2HG2 VAL 6 2HG2 VAL 6 -7.878 -0.878 -3.440
34 3HG2 VAL 6 3HG2 VAL 6 -7.711 0.246 -2.091
35 H GLY 7 H GLY 7 -8.074 -3.439 0.047
36 1HA GLY 7 2HA GLY 7 -10.507 -4.299 1.410
37 2HA GLY 7 1HA GLY 7 -9.213 -5.332 0.833
38 H GLY 8 H GLY 8 -7.927 -2.752 2.397
39 1HA GLY 8 2HA GLY 8 -7.068 -2.370 4.506
40 2HA GLY 8 1HA GLY 8 -8.184 -3.578 5.109
41 H THR 9 H THR 9 -5.936 -4.273 2.586
42 HA THR 9 HA THR 9 -4.079 -5.589 4.410
43 HB THR 9 HB THR 9 -4.116 -7.646 2.925
44 HG1 THR 9 HG1 THR 9 -5.447 -6.487 1.290
45 1HG2 THR 9 1HG2 THR 9 -6.687 -8.050 3.968
46 2HG2 THR 9 2HG2 THR 9 -5.908 -6.902 5.057
47 3HG2 THR 9 3HG2 THR 9 -5.149 -8.459 4.727
48 H CYS 10 H CYS 10 -2.013 -5.759 3.615
49 HA CYS 10 HA CYS 10 -1.534 -4.760 0.882
50 1HB CYS 10 2HB CYS 10 0.367 -4.375 3.190
51 2HB CYS 10 1HB CYS 10 0.445 -3.641 1.602
52 H ASN 11 H ASN 11 0.694 -5.401 0.120
53 HA ASN 11 HA ASN 11 1.067 -8.257 0.667
54 1HB ASN 11 2HB ASN 11 0.828 -7.451 -1.700
55 2HB ASN 11 1HB ASN 11 2.317 -6.537 -1.498
56 1HD2 ASN 11 1HD2 ASN 11 1.017 -9.363 -2.586
57 2HD2 ASN 11 2HD2 ASN 11 2.442 -10.336 -2.622
58 H THR 12 H THR 12 2.571 -5.140 0.854
59 HA THR 12 HA THR 12 5.212 -5.931 1.464
60 HB THR 12 HB THR 12 3.829 -3.420 2.426
61 HG1 THR 12 HG1 THR 12 3.544 -3.674 0.157
62 1HG2 THR 12 1HG2 THR 12 6.614 -4.369 2.310
63 2HG2 THR 12 2HG2 THR 12 5.867 -3.169 3.364
64 3HG2 THR 12 3HG2 THR 12 6.356 -2.725 1.728
65 HA PRO 13 HA PRO 13 4.430 -7.604 5.534
66 1HB PRO 13 2HB PRO 13 7.347 -7.544 5.823
67 2HB PRO 13 1HB PRO 13 6.248 -8.925 5.845
68 1HG PRO 13 2HG PRO 13 7.937 -8.441 3.801
69 2HG PRO 13 1HG PRO 13 6.367 -9.225 3.575
70 1HD PRO 13 2HD PRO 13 7.189 -6.414 2.994
71 2HD PRO 13 1HD PRO 13 6.073 -7.473 2.107
72 H GLY 14 H GLY 14 3.979 -6.514 7.281
73 1HA GLY 14 2HA GLY 14 4.075 -4.998 9.007
74 2HA GLY 14 1HA GLY 14 5.764 -4.739 8.595
75 H ALA 15 H ALA 15 2.995 -4.238 6.469
76 HA ALA 15 HA ALA 15 3.818 -1.452 6.165
77 1HB ALA 15 1HB ALA 15 3.556 -2.077 4.025
78 2HB ALA 15 2HB ALA 15 1.841 -1.798 4.334
79 3HB ALA 15 3HB ALA 15 2.505 -3.429 4.443
80 H THR 16 H THR 16 2.460 0.259 6.484
81 HA THR 16 HA THR 16 0.220 -0.205 8.280
82 HB THR 16 HB THR 16 1.084 2.510 7.369
83 HG1 THR 16 HG1 THR 16 2.628 0.656 8.719
84 1HG2 THR 16 1HG2 THR 16 -0.172 1.299 9.796
85 2HG2 THR 16 2HG2 THR 16 -0.683 2.697 8.850
86 3HG2 THR 16 3HG2 THR 16 0.701 2.826 9.936
87 H CYS 17 H CYS 17 -1.869 0.645 7.848
88 HA CYS 17 HA CYS 17 -2.495 0.689 5.009
89 1HB CYS 17 2HB CYS 17 -3.786 -0.796 6.505
90 2HB CYS 17 1HB CYS 17 -4.367 0.616 7.380
91 H SER 18 H SER 18 -3.239 2.379 3.923
92 HA SER 18 HA SER 18 -4.083 4.797 5.313
93 1HB SER 18 2HB SER 18 -1.913 4.711 3.202
94 2HB SER 18 1HB SER 18 -2.632 6.185 3.848
95 HG SER 18 HG SER 18 -1.895 4.825 5.940
96 H TRP 19 H TRP 19 -5.933 3.421 4.456
97 HA TRP 19 HA TRP 19 -6.739 2.830 2.034
98 1HB TRP 19 2HB TRP 19 -8.093 3.056 4.274
99 2HB TRP 19 1HB TRP 19 -8.652 4.559 3.547
100 HD1 TRP 19 HD1 TRP 19 -8.966 0.786 3.243
101 HE1 TRP 19 HE1 TRP 19 -10.841 0.216 1.576
102 HE3 TRP 19 HE3 TRP 19 -9.884 5.474 1.436
103 HZ2 TRP 19 HZ2 TRP 19 -12.494 1.576 -0.259
104 HZ3 TRP 19 HZ3 TRP 19 -11.633 5.757 -0.275
105 HH2 TRP 19 HH2 TRP 19 -12.909 3.847 -1.105
106 HA PRO 20 HA PRO 20 -7.405 2.574 0.471
107 1HB PRO 20 2HB PRO 20 -7.589 2.710 -2.151
108 2HB PRO 20 1HB PRO 20 -8.874 3.350 -1.126
109 1HG PRO 20 2HG PRO 20 -6.805 4.807 -2.685
110 2HG PRO 20 1HG PRO 20 -8.466 5.286 -2.300
111 1HD PRO 20 2HD PRO 20 -6.076 6.047 -0.937
112 2HD PRO 20 1HD PRO 20 -7.748 6.431 -0.482
113 H VAL 21 H VAL 21 -4.687 3.874 0.832
114 HA VAL 21 HA VAL 21 -3.236 2.054 -0.986
115 HB VAL 21 HB VAL 21 -1.320 3.707 -0.943
116 1HG1 VAL 21 1HG1 VAL 21 -3.880 4.073 -2.432
117 2HG1 VAL 21 2HG1 VAL 21 -2.307 3.529 -3.015
118 3HG1 VAL 21 3HG1 VAL 21 -2.574 5.236 -2.663
119 1HG2 VAL 21 1HG2 VAL 21 -3.127 5.131 0.717
120 2HG2 VAL 21 2HG2 VAL 21 -2.875 6.070 -0.755
121 3HG2 VAL 21 3HG2 VAL 21 -1.494 5.580 0.225
122 H CYS 22 H CYS 22 -0.916 1.662 -0.239
123 HA CYS 22 HA CYS 22 -1.012 1.219 2.671
124 1HB CYS 22 2HB CYS 22 0.534 -0.143 0.477
125 2HB CYS 22 1HB CYS 22 0.752 -0.497 2.183
126 H THR 23 H THR 23 0.769 1.722 3.973
127 HA THR 23 HA THR 23 2.882 3.331 2.715
128 HB THR 23 HB THR 23 2.824 4.791 4.812
129 HG1 THR 23 HG1 THR 23 0.158 4.488 5.199
130 1HG2 THR 23 1HG2 THR 23 2.039 6.163 3.226
131 2HG2 THR 23 2HG2 THR 23 0.426 5.755 3.812
132 3HG2 THR 23 3HG2 THR 23 1.120 4.872 2.453
133 H ARG 24 H ARG 24 4.825 3.501 4.038
134 HA ARG 24 HA ARG 24 5.049 1.676 6.276
135 1HB ARG 24 2HB ARG 24 5.511 0.469 3.984
136 2HB ARG 24 1HB ARG 24 7.051 1.314 4.078
137 1HG ARG 24 2HG ARG 24 7.494 0.278 6.242
138 2HG ARG 24 1HG ARG 24 5.945 -0.565 6.155
139 1HD ARG 24 2HD ARG 24 6.784 -1.551 3.968
140 2HD ARG 24 1HD ARG 24 8.372 -0.934 4.420
141 HE ARG 24 HE ARG 24 7.122 -3.278 5.397
142 1HH1 ARG 24 1HH1 ARG 24 9.142 -0.620 6.492
143 2HH1 ARG 24 2HH1 ARG 24 9.858 -1.538 7.772
144 1HH2 ARG 24 1HH2 ARG 24 8.054 -4.472 7.073
145 2HH2 ARG 24 2HH2 ARG 24 9.242 -3.739 8.106
146 H ASN 25 H ASN 25 6.385 2.502 7.740
147 HA ASN 25 HA ASN 25 7.799 3.926 8.792
148 1HB ASN 25 2HB ASN 25 9.193 3.808 6.111
149 2HB ASN 25 1HB ASN 25 9.859 4.649 7.506
150 1HD2 ASN 25 1HD2 ASN 25 11.281 3.534 8.598
151 2HD2 ASN 25 2HD2 ASN 25 11.344 1.815 8.745
152 H GLY 26 H GLY 26 5.453 4.970 7.479
153 1HA GLY 26 2HA GLY 26 4.478 7.054 7.343
154 2HA GLY 26 1HA GLY 26 6.040 7.761 7.729
155 H LEU 27 H LEU 27 6.001 5.576 5.094
156 HA LEU 27 HA LEU 27 5.869 7.812 3.181
157 1HB LEU 27 2HB LEU 27 7.786 5.475 3.148
158 2HB LEU 27 1HB LEU 27 7.622 6.654 1.862
159 HG LEU 27 HG LEU 27 8.529 7.287 4.672
160 1HD1 LEU 27 1HD1 LEU 27 10.483 7.737 2.625
161 2HD1 LEU 27 2HD1 LEU 27 9.940 6.060 2.582
162 3HD1 LEU 27 3HD1 LEU 27 10.592 6.737 4.073
163 1HD2 LEU 27 1HD2 LEU 27 9.312 9.399 3.377
164 2HD2 LEU 27 2HD2 LEU 27 7.629 9.269 3.887
165 3HD2 LEU 27 3HD2 LEU 27 8.071 8.928 2.214
166 HA PRO 28 HA PRO 28 2.739 5.249 1.389
167 1HB PRO 28 2HB PRO 28 3.126 6.741 -1.083
168 2HB PRO 28 1HB PRO 28 1.715 6.664 -0.031
169 1HG PRO 28 2HG PRO 28 3.286 8.875 -0.235
170 2HG PRO 28 1HG PRO 28 2.385 8.454 1.230
171 1HD PRO 28 2HD PRO 28 5.291 8.155 0.639
172 2HD PRO 28 1HD PRO 28 4.480 8.528 2.172
173 H VAL 29 H VAL 29 2.682 3.464 0.206
174 HA VAL 29 HA VAL 29 5.105 2.749 -1.282
175 HB VAL 29 HB VAL 29 2.908 0.891 -0.312
176 1HG1 VAL 29 1HG1 VAL 29 4.654 -0.843 -0.700
177 2HG1 VAL 29 2HG1 VAL 29 5.671 0.397 -1.434
178 3HG1 VAL 29 3HG1 VAL 29 4.129 -0.032 -2.174
179 1HG2 VAL 29 1HG2 VAL 29 3.952 1.851 1.620
180 2HG2 VAL 29 2HG2 VAL 29 5.561 1.604 0.939
181 3HG2 VAL 29 3HG2 VAL 29 4.581 0.216 1.413
Start of MODEL 16
1 H ALA 1 H ALA 1 5.080 3.046 -3.283
2 HA ALA 1 HA ALA 1 2.660 3.413 -4.710
3 1HB ALA 1 1HB ALA 1 4.941 2.571 -6.319
4 2HB ALA 1 2HB ALA 1 5.310 3.896 -5.215
5 3HB ALA 1 3HB ALA 1 3.996 4.059 -6.380
6 H GLY 2 H GLY 2 1.361 2.004 -5.697
7 1HA GLY 2 2HA GLY 2 0.838 0.033 -6.888
8 2HA GLY 2 1HA GLY 2 2.300 -0.707 -6.253
9 H GLU 3 H GLU 3 1.871 -0.038 -3.530
10 HA GLU 3 HA GLU 3 0.143 -2.197 -2.808
11 1HB GLU 3 2HB GLU 3 1.628 -0.168 -1.143
12 2HB GLU 3 1HB GLU 3 0.690 -1.495 -0.469
13 1HG GLU 3 2HG GLU 3 2.892 -1.944 -2.416
14 2HG GLU 3 1HG GLU 3 3.197 -1.802 -0.689
15 H THR 4 H THR 4 -1.944 -2.107 -2.534
16 HA THR 4 HA THR 4 -3.133 0.463 -1.782
17 HB THR 4 HB THR 4 -5.268 -0.466 -2.766
18 HG1 THR 4 HG1 THR 4 -3.515 -2.187 -4.207
19 1HG2 THR 4 1HG2 THR 4 -4.508 1.181 -4.132
20 2HG2 THR 4 2HG2 THR 4 -4.214 -0.175 -5.221
21 3HG2 THR 4 3HG2 THR 4 -2.893 0.482 -4.255
22 H CYS 5 H CYS 5 -4.842 0.410 -0.288
23 HA CYS 5 HA CYS 5 -4.947 -2.082 1.277
24 1HB CYS 5 2HB CYS 5 -3.691 -0.160 2.370
25 2HB CYS 5 1HB CYS 5 -5.231 0.692 2.446
26 H VAL 6 H VAL 6 -6.655 -1.487 -0.834
27 HA VAL 6 HA VAL 6 -9.089 -0.307 -0.022
28 HB VAL 6 HB VAL 6 -8.769 -2.469 -2.108
29 1HG1 VAL 6 1HG1 VAL 6 -10.824 -0.289 -1.770
30 2HG1 VAL 6 2HG1 VAL 6 -11.077 -2.016 -1.523
31 3HG1 VAL 6 3HG1 VAL 6 -10.728 -1.399 -3.138
32 1HG2 VAL 6 1HG2 VAL 6 -7.172 -0.623 -2.470
33 2HG2 VAL 6 2HG2 VAL 6 -8.521 0.514 -2.476
34 3HG2 VAL 6 3HG2 VAL 6 -8.398 -0.716 -3.734
35 H GLY 7 H GLY 7 -7.887 -3.619 0.037
36 1HA GLY 7 2HA GLY 7 -10.331 -4.607 1.267
37 2HA GLY 7 1HA GLY 7 -8.931 -5.559 0.810
38 H GLY 8 H GLY 8 -7.934 -2.885 2.421
39 1HA GLY 8 2HA GLY 8 -7.320 -2.411 4.601
40 2HA GLY 8 1HA GLY 8 -8.340 -3.738 5.121
41 H THR 9 H THR 9 -6.007 -4.429 2.733
42 HA THR 9 HA THR 9 -4.004 -5.321 4.652
43 HB THR 9 HB THR 9 -3.887 -7.563 3.467
44 HG1 THR 9 HG1 THR 9 -5.383 -6.762 1.751
45 1HG2 THR 9 1HG2 THR 9 -4.895 -7.163 5.756
46 2HG2 THR 9 2HG2 THR 9 -5.457 -8.605 4.911
47 3HG2 THR 9 3HG2 THR 9 -6.472 -7.163 4.964
48 H CYS 10 H CYS 10 -1.955 -5.401 3.814
49 HA CYS 10 HA CYS 10 -1.650 -4.526 1.019
50 1HB CYS 10 2HB CYS 10 0.463 -4.347 3.150
51 2HB CYS 10 1HB CYS 10 0.427 -3.538 1.596
52 H ASN 11 H ASN 11 0.345 -5.246 -0.020
53 HA ASN 11 HA ASN 11 0.621 -8.126 0.230
54 1HB ASN 11 2HB ASN 11 0.521 -7.462 -2.013
55 2HB ASN 11 1HB ASN 11 1.510 -6.035 -1.737
56 1HD2 ASN 11 1HD2 ASN 11 3.558 -6.114 -2.250
57 2HD2 ASN 11 2HD2 ASN 11 4.449 -7.551 -2.633
58 H THR 12 H THR 12 2.457 -5.191 0.700
59 HA THR 12 HA THR 12 4.927 -6.484 1.358
60 HB THR 12 HB THR 12 3.984 -3.652 1.870
61 HG1 THR 12 HG1 THR 12 4.263 -4.346 -0.375
62 1HG2 THR 12 1HG2 THR 12 6.035 -4.834 3.190
63 2HG2 THR 12 2HG2 THR 12 5.981 -3.118 2.787
64 3HG2 THR 12 3HG2 THR 12 6.870 -4.239 1.755
65 HA PRO 13 HA PRO 13 3.685 -7.685 5.474
66 1HB PRO 13 2HB PRO 13 6.553 -8.207 5.859
67 2HB PRO 13 1HB PRO 13 5.188 -9.323 5.947
68 1HG PRO 13 2HG PRO 13 6.952 -9.375 3.920
69 2HG PRO 13 1HG PRO 13 5.243 -9.779 3.693
70 1HD PRO 13 2HD PRO 13 6.710 -7.266 3.003
71 2HD PRO 13 1HD PRO 13 5.421 -8.101 2.113
72 H GLY 14 H GLY 14 3.497 -6.535 7.257
73 1HA GLY 14 2HA GLY 14 3.950 -5.067 8.973
74 2HA GLY 14 1HA GLY 14 5.607 -4.985 8.400
75 H ALA 15 H ALA 15 2.980 -4.261 6.246
76 HA ALA 15 HA ALA 15 3.922 -1.506 6.077
77 1HB ALA 15 1HB ALA 15 2.244 -1.477 4.119
78 2HB ALA 15 2HB ALA 15 2.212 -3.230 4.317
79 3HB ALA 15 3HB ALA 15 3.728 -2.413 3.941
80 H THR 16 H THR 16 2.568 0.274 6.334
81 HA THR 16 HA THR 16 0.353 -0.150 8.168
82 HB THR 16 HB THR 16 1.197 2.550 7.200
83 HG1 THR 16 HG1 THR 16 2.747 0.718 8.629
84 1HG2 THR 16 1HG2 THR 16 0.769 3.104 9.599
85 2HG2 THR 16 2HG2 THR 16 0.267 1.431 9.844
86 3HG2 THR 16 3HG2 THR 16 -0.643 2.473 8.748
87 H CYS 17 H CYS 17 -1.734 0.660 7.781
88 HA CYS 17 HA CYS 17 -2.453 0.680 4.967
89 1HB CYS 17 2HB CYS 17 -3.699 -0.778 6.521
90 2HB CYS 17 1HB CYS 17 -4.234 0.645 7.409
91 H SER 18 H SER 18 -3.271 2.345 3.887
92 HA SER 18 HA SER 18 -4.081 4.783 5.249
93 1HB SER 18 2HB SER 18 -1.930 4.705 3.116
94 2HB SER 18 1HB SER 18 -2.635 6.171 3.795
95 HG SER 18 HG SER 18 -1.861 4.769 5.852
96 H TRP 19 H TRP 19 -5.919 3.368 4.402
97 HA TRP 19 HA TRP 19 -6.722 2.747 1.991
98 1HB TRP 19 2HB TRP 19 -8.079 3.006 4.237
99 2HB TRP 19 1HB TRP 19 -8.671 4.469 3.455
100 HD1 TRP 19 HD1 TRP 19 -8.875 0.678 3.262
101 HE1 TRP 19 HE1 TRP 19 -10.725 0.006 1.609
102 HE3 TRP 19 HE3 TRP 19 -9.934 5.285 1.323
103 HZ2 TRP 19 HZ2 TRP 19 -12.415 1.261 -0.267
104 HZ3 TRP 19 HZ3 TRP 19 -11.685 5.464 -0.398
105 HH2 TRP 19 HH2 TRP 19 -12.899 3.493 -1.176
106 HA PRO 20 HA PRO 20 -7.415 2.462 0.439
107 1HB PRO 20 2HB PRO 20 -7.582 2.545 -2.186
108 2HB PRO 20 1HB PRO 20 -8.872 3.218 -1.188
109 1HG PRO 20 2HG PRO 20 -6.750 4.627 -2.731
110 2HG PRO 20 1HG PRO 20 -8.429 5.111 -2.430
111 1HD PRO 20 2HD PRO 20 -6.118 5.952 -1.005
112 2HD PRO 20 1HD PRO 20 -7.812 6.280 -0.587
113 H VAL 21 H VAL 21 -4.705 3.848 0.755
114 HA VAL 21 HA VAL 21 -3.222 1.978 -0.988
115 HB VAL 21 HB VAL 21 -1.330 3.658 -0.976
116 1HG1 VAL 21 1HG1 VAL 21 -3.558 4.913 -2.465
117 2HG1 VAL 21 2HG1 VAL 21 -3.253 3.204 -2.780
118 3HG1 VAL 21 3HG1 VAL 21 -1.969 4.387 -3.027
119 1HG2 VAL 21 1HG2 VAL 21 -3.081 5.947 -0.784
120 2HG2 VAL 21 2HG2 VAL 21 -1.525 5.651 -0.011
121 3HG2 VAL 21 3HG2 VAL 21 -3.007 5.056 0.735
122 H CYS 22 H CYS 22 -0.815 1.818 -0.187
123 HA CYS 22 HA CYS 22 -0.973 1.428 2.734
124 1HB CYS 22 2HB CYS 22 0.545 -0.066 0.615
125 2HB CYS 22 1HB CYS 22 0.799 -0.314 2.335
126 H THR 23 H THR 23 0.854 1.876 4.007
127 HA THR 23 HA THR 23 2.928 3.512 2.725
128 HB THR 23 HB THR 23 2.911 4.903 4.882
129 HG1 THR 23 HG1 THR 23 0.220 4.526 5.219
130 1HG2 THR 23 1HG2 THR 23 1.037 5.028 2.602
131 2HG2 THR 23 2HG2 THR 23 2.185 6.229 3.196
132 3HG2 THR 23 3HG2 THR 23 0.622 6.034 3.990
133 H ARG 24 H ARG 24 4.885 3.712 4.038
134 HA ARG 24 HA ARG 24 5.233 1.792 6.177
135 1HB ARG 24 2HB ARG 24 5.632 0.497 4.077
136 2HB ARG 24 1HB ARG 24 6.914 1.623 3.666
137 1HG ARG 24 2HG ARG 24 7.729 -0.491 4.632
138 2HG ARG 24 1HG ARG 24 8.213 0.934 5.547
139 1HD ARG 24 2HD ARG 24 6.437 0.526 7.159
140 2HD ARG 24 1HD ARG 24 5.902 -0.875 6.230
141 HE ARG 24 HE ARG 24 8.188 -0.705 7.988
142 1HH1 ARG 24 1HH1 ARG 24 6.582 -2.497 5.456
143 2HH1 ARG 24 2HH1 ARG 24 7.456 -3.964 5.742
144 1HH2 ARG 24 1HH2 ARG 24 9.385 -2.634 8.362
145 2HH2 ARG 24 2HH2 ARG 24 9.076 -4.032 7.387
146 H ASN 25 H ASN 25 6.513 2.645 7.657
147 HA ASN 25 HA ASN 25 7.889 4.065 8.761
148 1HB ASN 25 2HB ASN 25 9.387 4.457 6.168
149 2HB ASN 25 1HB ASN 25 10.011 4.596 7.807
150 1HD2 ASN 25 1HD2 ASN 25 10.387 2.829 5.256
151 2HD2 ASN 25 2HD2 ASN 25 10.598 1.255 5.934
152 H GLY 26 H GLY 26 5.526 5.120 7.537
153 1HA GLY 26 2HA GLY 26 4.525 7.194 7.457
154 2HA GLY 26 1HA GLY 26 6.086 7.910 7.825
155 H LEU 27 H LEU 27 6.064 5.793 5.139
156 HA LEU 27 HA LEU 27 5.818 8.073 3.288
157 1HB LEU 27 2HB LEU 27 7.823 5.815 3.158
158 2HB LEU 27 1HB LEU 27 7.592 7.023 1.910
159 HG LEU 27 HG LEU 27 8.516 7.612 4.724
160 1HD1 LEU 27 1HD1 LEU 27 9.934 6.573 2.488
161 2HD1 LEU 27 2HD1 LEU 27 10.553 7.038 4.073
162 3HD1 LEU 27 3HD1 LEU 27 10.468 8.229 2.776
163 1HD2 LEU 27 1HD2 LEU 27 9.148 9.636 2.829
164 2HD2 LEU 27 2HD2 LEU 27 8.127 9.746 4.262
165 3HD2 LEU 27 3HD2 LEU 27 7.425 9.282 2.712
166 HA PRO 28 HA PRO 28 2.754 5.488 1.427
167 1HB PRO 28 2HB PRO 28 3.226 6.940 -1.061
168 2HB PRO 28 1HB PRO 28 1.774 6.864 -0.068
169 1HG PRO 28 2HG PRO 28 3.331 9.085 -0.236
170 2HG PRO 28 1HG PRO 28 2.375 8.674 1.197
171 1HD PRO 28 2HD PRO 28 5.306 8.419 0.737
172 2HD PRO 28 1HD PRO 28 4.420 8.770 2.234
173 H VAL 29 H VAL 29 2.723 3.676 0.269
174 HA VAL 29 HA VAL 29 5.181 2.957 -1.165
175 HB VAL 29 HB VAL 29 3.043 1.084 -0.088
176 1HG1 VAL 29 1HG1 VAL 29 5.727 0.662 -1.392
177 2HG1 VAL 29 2HG1 VAL 29 4.161 0.001 -1.863
178 3HG1 VAL 29 3HG1 VAL 29 4.959 -0.575 -0.399
179 1HG2 VAL 29 1HG2 VAL 29 3.953 1.714 1.887
180 2HG2 VAL 29 2HG2 VAL 29 5.449 2.288 1.147
181 3HG2 VAL 29 3HG2 VAL 29 5.203 0.561 1.415
Start of MODEL 17
1 H ALA 1 H ALA 1 5.406 2.484 -3.084
2 HA ALA 1 HA ALA 1 3.253 3.253 -4.704
3 1HB ALA 1 1HB ALA 1 5.947 3.191 -5.005
4 2HB ALA 1 2HB ALA 1 4.799 3.497 -6.309
5 3HB ALA 1 3HB ALA 1 5.451 1.876 -6.071
6 H GLY 2 H GLY 2 1.667 2.152 -5.611
7 1HA GLY 2 2HA GLY 2 0.630 0.413 -6.758
8 2HA GLY 2 1HA GLY 2 2.025 -0.601 -6.433
9 H GLU 3 H GLU 3 1.949 -0.028 -3.552
10 HA GLU 3 HA GLU 3 0.200 -2.148 -2.811
11 1HB GLU 3 2HB GLU 3 2.409 -1.552 -1.718
12 2HB GLU 3 1HB GLU 3 1.569 -0.220 -0.946
13 1HG GLU 3 2HG GLU 3 1.716 -2.069 0.566
14 2HG GLU 3 1HG GLU 3 0.035 -1.816 0.101
15 H THR 4 H THR 4 -1.903 -1.947 -2.637
16 HA THR 4 HA THR 4 -2.979 0.579 -1.622
17 HB THR 4 HB THR 4 -5.142 -0.138 -2.705
18 HG1 THR 4 HG1 THR 4 -3.417 -1.901 -4.144
19 1HG2 THR 4 1HG2 THR 4 -4.182 1.583 -3.874
20 2HG2 THR 4 2HG2 THR 4 -4.111 0.320 -5.104
21 3HG2 THR 4 3HG2 THR 4 -2.678 0.703 -4.150
22 H CYS 5 H CYS 5 -4.773 0.487 -0.193
23 HA CYS 5 HA CYS 5 -4.926 -2.077 1.252
24 1HB CYS 5 2HB CYS 5 -3.794 -0.202 2.498
25 2HB CYS 5 1HB CYS 5 -5.321 0.672 2.454
26 H VAL 6 H VAL 6 -6.539 -1.418 -0.940
27 HA VAL 6 HA VAL 6 -9.058 -0.381 -0.170
28 HB VAL 6 HB VAL 6 -8.559 -2.364 -2.393
29 1HG1 VAL 6 1HG1 VAL 6 -10.698 -2.107 -2.912
30 2HG1 VAL 6 2HG1 VAL 6 -10.511 -0.354 -2.964
31 3HG1 VAL 6 3HG1 VAL 6 -10.910 -1.153 -1.444
32 1HG2 VAL 6 1HG2 VAL 6 -7.523 0.271 -2.090
33 2HG2 VAL 6 2HG2 VAL 6 -8.722 0.282 -3.384
34 3HG2 VAL 6 3HG2 VAL 6 -7.356 -0.831 -3.458
35 H GLY 7 H GLY 7 -7.661 -3.601 -0.180
36 1HA GLY 7 2HA GLY 7 -10.116 -4.863 0.693
37 2HA GLY 7 1HA GLY 7 -8.565 -5.643 0.456
38 H GLY 8 H GLY 8 -8.057 -2.958 2.236
39 1HA GLY 8 2HA GLY 8 -7.966 -2.482 4.512
40 2HA GLY 8 1HA GLY 8 -8.802 -3.993 4.828
41 H THR 9 H THR 9 -6.284 -4.716 2.824
42 HA THR 9 HA THR 9 -4.251 -4.896 4.902
43 HB THR 9 HB THR 9 -3.859 -7.338 4.271
44 HG1 THR 9 HG1 THR 9 -5.718 -6.930 2.565
45 1HG2 THR 9 1HG2 THR 9 -4.633 -7.546 6.352
46 2HG2 THR 9 2HG2 THR 9 -6.235 -7.804 5.660
47 3HG2 THR 9 3HG2 THR 9 -5.733 -6.183 6.143
48 H CYS 10 H CYS 10 -2.185 -4.953 4.113
49 HA CYS 10 HA CYS 10 -1.891 -4.571 1.221
50 1HB CYS 10 2HB CYS 10 0.349 -4.192 3.163
51 2HB CYS 10 1HB CYS 10 0.067 -3.394 1.630
52 H ASN 11 H ASN 11 -0.006 -5.504 0.183
53 HA ASN 11 HA ASN 11 0.343 -8.289 0.986
54 1HB ASN 11 2HB ASN 11 1.112 -6.754 -1.500
55 2HB ASN 11 1HB ASN 11 1.643 -8.405 -1.213
56 1HD2 ASN 11 1HD2 ASN 11 -1.358 -7.979 0.159
57 2HD2 ASN 11 2HD2 ASN 11 -2.328 -8.593 -1.131
58 H THR 12 H THR 12 2.139 -5.315 0.637
59 HA THR 12 HA THR 12 4.739 -6.352 1.022
60 HB THR 12 HB THR 12 3.636 -3.591 1.593
61 HG1 THR 12 HG1 THR 12 3.534 -4.148 -0.607
62 1HG2 THR 12 1HG2 THR 12 6.469 -4.616 1.542
63 2HG2 THR 12 2HG2 THR 12 5.647 -3.754 2.843
64 3HG2 THR 12 3HG2 THR 12 6.063 -2.911 1.351
65 HA PRO 13 HA PRO 13 4.457 -7.501 5.310
66 1HB PRO 13 2HB PRO 13 7.403 -7.419 5.195
67 2HB PRO 13 1HB PRO 13 6.330 -8.761 5.599
68 1HG PRO 13 2HG PRO 13 7.663 -8.671 3.280
69 2HG PRO 13 1HG PRO 13 6.040 -9.369 3.394
70 1HD PRO 13 2HD PRO 13 6.895 -6.707 2.333
71 2HD PRO 13 1HD PRO 13 5.634 -7.807 1.741
72 H GLY 14 H GLY 14 4.292 -6.318 7.058
73 1HA GLY 14 2HA GLY 14 4.615 -4.682 8.634
74 2HA GLY 14 1HA GLY 14 6.193 -4.395 7.918
75 H ALA 15 H ALA 15 3.216 -4.145 6.085
76 HA ALA 15 HA ALA 15 3.769 -1.294 5.728
77 1HB ALA 15 1HB ALA 15 3.224 -1.615 3.601
78 2HB ALA 15 2HB ALA 15 1.635 -2.225 4.065
79 3HB ALA 15 3HB ALA 15 3.004 -3.331 3.945
80 H THR 16 H THR 16 2.408 0.255 6.374
81 HA THR 16 HA THR 16 0.176 -0.514 8.071
82 HB THR 16 HB THR 16 0.940 2.327 7.542
83 HG1 THR 16 HG1 THR 16 2.579 0.376 8.575
84 1HG2 THR 16 1HG2 THR 16 0.055 2.744 9.638
85 2HG2 THR 16 2HG2 THR 16 0.366 1.105 10.209
86 3HG2 THR 16 3HG2 THR 16 -0.961 1.412 9.087
87 H CYS 17 H CYS 17 -1.927 0.248 7.740
88 HA CYS 17 HA CYS 17 -2.655 0.508 4.971
89 1HB CYS 17 2HB CYS 17 -3.960 -0.897 6.541
90 2HB CYS 17 1HB CYS 17 -4.424 0.554 7.422
91 H SER 18 H SER 18 -3.360 2.241 3.924
92 HA SER 18 HA SER 18 -4.020 4.701 5.333
93 1HB SER 18 2HB SER 18 -1.908 4.538 3.166
94 2HB SER 18 1HB SER 18 -2.505 6.025 3.902
95 HG SER 18 HG SER 18 -1.772 4.478 5.887
96 H TRP 19 H TRP 19 -5.907 3.318 4.449
97 HA TRP 19 HA TRP 19 -6.722 2.834 2.006
98 1HB TRP 19 2HB TRP 19 -8.065 3.024 4.296
99 2HB TRP 19 1HB TRP 19 -8.693 4.473 3.511
100 HD1 TRP 19 HD1 TRP 19 -8.736 0.673 3.258
101 HE1 TRP 19 HE1 TRP 19 -10.549 -0.046 1.582
102 HE3 TRP 19 HE3 TRP 19 -10.009 5.270 1.423
103 HZ2 TRP 19 HZ2 TRP 19 -12.287 1.168 -0.272
104 HZ3 TRP 19 HZ3 TRP 19 -11.761 5.405 -0.301
105 HH2 TRP 19 HH2 TRP 19 -12.876 3.396 -1.130
106 HA PRO 20 HA PRO 20 -7.556 2.647 0.479
107 1HB PRO 20 2HB PRO 20 -7.633 2.822 -2.152
108 2HB PRO 20 1HB PRO 20 -8.925 3.508 -1.166
109 1HG PRO 20 2HG PRO 20 -6.681 4.892 -2.561
110 2HG PRO 20 1HG PRO 20 -8.363 5.410 -2.354
111 1HD PRO 20 2HD PRO 20 -6.163 6.205 -0.784
112 2HD PRO 20 1HD PRO 20 -7.876 6.458 -0.399
113 H VAL 21 H VAL 21 -4.758 3.996 0.803
114 HA VAL 21 HA VAL 21 -3.372 2.021 -0.896
115 HB VAL 21 HB VAL 21 -1.395 3.558 -0.936
116 1HG1 VAL 21 1HG1 VAL 21 -2.341 5.022 -2.716
117 2HG1 VAL 21 2HG1 VAL 21 -3.948 4.444 -2.274
118 3HG1 VAL 21 3HG1 VAL 21 -2.747 3.316 -2.904
119 1HG2 VAL 21 1HG2 VAL 21 -1.387 5.445 0.225
120 2HG2 VAL 21 2HG2 VAL 21 -3.007 5.080 0.819
121 3HG2 VAL 21 3HG2 VAL 21 -2.801 6.018 -0.661
122 H CYS 22 H CYS 22 -0.848 2.136 -0.010
123 HA CYS 22 HA CYS 22 -1.046 1.625 2.886
124 1HB CYS 22 2HB CYS 22 0.296 -0.049 0.762
125 2HB CYS 22 1HB CYS 22 0.618 -0.244 2.483
126 H THR 23 H THR 23 0.770 2.082 4.131
127 HA THR 23 HA THR 23 3.009 3.416 2.767
128 HB THR 23 HB THR 23 3.075 5.097 4.633
129 HG1 THR 23 HG1 THR 23 0.377 4.688 5.199
130 1HG2 THR 23 1HG2 THR 23 0.953 4.966 2.563
131 2HG2 THR 23 2HG2 THR 23 2.223 6.163 2.810
132 3HG2 THR 23 3HG2 THR 23 0.770 6.200 3.810
133 H ARG 24 H ARG 24 4.919 3.629 4.192
134 HA ARG 24 HA ARG 24 4.989 1.918 6.525
135 1HB ARG 24 2HB ARG 24 5.435 0.381 4.605
136 2HB ARG 24 1HB ARG 24 6.828 1.370 4.185
137 1HG ARG 24 2HG ARG 24 7.970 0.774 6.165
138 2HG ARG 24 1HG ARG 24 6.519 0.060 6.871
139 1HD ARG 24 2HD ARG 24 7.995 -1.690 6.110
140 2HD ARG 24 1HD ARG 24 6.544 -1.664 5.111
141 HE ARG 24 HE ARG 24 8.521 -0.097 3.883
142 1HH1 ARG 24 1HH1 ARG 24 7.799 -3.444 4.612
143 2HH1 ARG 24 2HH1 ARG 24 8.713 -4.067 3.278
144 1HH2 ARG 24 1HH2 ARG 24 9.731 -0.915 2.111
145 2HH2 ARG 24 2HH2 ARG 24 9.815 -2.625 1.852
146 H ASN 25 H ASN 25 6.179 2.874 8.004
147 HA ASN 25 HA ASN 25 7.576 4.311 9.057
148 1HB ASN 25 2HB ASN 25 9.260 2.945 7.699
149 2HB ASN 25 1HB ASN 25 9.295 4.297 6.573
150 1HD2 ASN 25 1HD2 ASN 25 10.899 5.652 6.895
151 2HD2 ASN 25 2HD2 ASN 25 11.656 5.998 8.406
152 H GLY 26 H GLY 26 5.394 5.345 7.521
153 1HA GLY 26 2HA GLY 26 4.544 7.464 7.183
154 2HA GLY 26 1HA GLY 26 6.137 8.117 7.521
155 H LEU 27 H LEU 27 6.298 5.737 5.140
156 HA LEU 27 HA LEU 27 6.166 7.783 3.020
157 1HB LEU 27 2HB LEU 27 8.149 5.586 3.497
158 2HB LEU 27 1HB LEU 27 7.825 6.113 1.858
159 HG LEU 27 HG LEU 27 8.433 8.459 2.632
160 1HD1 LEU 27 1HD1 LEU 27 8.449 7.273 5.139
161 2HD1 LEU 27 2HD1 LEU 27 9.044 8.880 4.723
162 3HD1 LEU 27 3HD1 LEU 27 10.153 7.507 4.746
163 1HD2 LEU 27 1HD2 LEU 27 9.882 6.666 1.412
164 2HD2 LEU 27 2HD2 LEU 27 10.771 6.634 2.935
165 3HD2 LEU 27 3HD2 LEU 27 10.626 8.140 2.028
166 HA PRO 28 HA PRO 28 2.986 5.162 1.419
167 1HB PRO 28 2HB PRO 28 3.419 6.466 -1.152
168 2HB PRO 28 1HB PRO 28 1.995 6.483 -0.113
169 1HG PRO 28 2HG PRO 28 3.597 8.653 -0.452
170 2HG PRO 28 1HG PRO 28 2.686 8.342 1.036
171 1HD PRO 28 2HD PRO 28 5.590 7.961 0.475
172 2HD PRO 28 1HD PRO 28 4.782 8.453 1.975
173 H VAL 29 H VAL 29 2.894 3.299 0.373
174 HA VAL 29 HA VAL 29 5.324 2.373 -0.960
175 HB VAL 29 HB VAL 29 2.910 0.741 -0.092
176 1HG1 VAL 29 1HG1 VAL 29 5.604 -0.445 -0.482
177 2HG1 VAL 29 2HG1 VAL 29 4.716 0.016 -1.934
178 3HG1 VAL 29 3HG1 VAL 29 4.007 -1.127 -0.793
179 1HG2 VAL 29 1HG2 VAL 29 5.263 1.720 1.378
180 2HG2 VAL 29 2HG2 VAL 29 4.931 -0.003 1.557
181 3HG2 VAL 29 3HG2 VAL 29 3.691 1.182 1.971
Start of MODEL 18
1 H ALA 1 H ALA 1 5.674 2.034 -3.080
2 HA ALA 1 HA ALA 1 3.734 2.937 -4.923
3 1HB ALA 1 1HB ALA 1 6.508 1.992 -5.029
4 2HB ALA 1 2HB ALA 1 5.733 3.345 -5.854
5 3HB ALA 1 3HB ALA 1 5.570 1.710 -6.495
6 H GLY 2 H GLY 2 2.201 1.907 -5.982
7 1HA GLY 2 2HA GLY 2 0.967 0.239 -6.957
8 2HA GLY 2 1HA GLY 2 2.388 -0.787 -6.861
9 H GLU 3 H GLU 3 0.874 0.718 -4.068
10 HA GLU 3 HA GLU 3 -0.186 -1.908 -3.289
11 1HB GLU 3 2HB GLU 3 1.601 -0.080 -1.742
12 2HB GLU 3 1HB GLU 3 0.422 -1.072 -0.895
13 1HG GLU 3 2HG GLU 3 2.044 -2.471 -2.864
14 2HG GLU 3 1HG GLU 3 2.924 -1.853 -1.471
15 H THR 4 H THR 4 -2.243 -1.850 -2.823
16 HA THR 4 HA THR 4 -3.385 0.691 -1.904
17 HB THR 4 HB THR 4 -5.566 -0.114 -2.808
18 HG1 THR 4 HG1 THR 4 -3.873 -2.030 -4.084
19 1HG2 THR 4 1HG2 THR 4 -3.591 0.117 -5.057
20 2HG2 THR 4 2HG2 THR 4 -3.883 1.474 -3.969
21 3HG2 THR 4 3HG2 THR 4 -5.208 0.806 -4.921
22 H CYS 5 H CYS 5 -4.916 0.608 -0.291
23 HA CYS 5 HA CYS 5 -5.005 -1.949 1.169
24 1HB CYS 5 2HB CYS 5 -3.676 -0.064 2.257
25 2HB CYS 5 1HB CYS 5 -5.209 0.784 2.449
26 H VAL 6 H VAL 6 -6.815 -1.329 -0.820
27 HA VAL 6 HA VAL 6 -9.182 -0.104 0.109
28 HB VAL 6 HB VAL 6 -8.988 -2.266 -1.993
29 1HG1 VAL 6 1HG1 VAL 6 -10.938 -0.113 -2.319
30 2HG1 VAL 6 2HG1 VAL 6 -11.226 -1.135 -0.910
31 3HG1 VAL 6 3HG1 VAL 6 -11.125 -1.855 -2.517
32 1HG2 VAL 6 1HG2 VAL 6 -8.861 0.704 -2.460
33 2HG2 VAL 6 2HG2 VAL 6 -8.591 -0.592 -3.624
34 3HG2 VAL 6 3HG2 VAL 6 -7.427 -0.314 -2.329
35 H GLY 7 H GLY 7 -8.074 -3.451 0.106
36 1HA GLY 7 2HA GLY 7 -10.475 -4.323 1.519
37 2HA GLY 7 1HA GLY 7 -9.202 -5.352 0.894
38 H GLY 8 H GLY 8 -7.892 -2.781 2.474
39 1HA GLY 8 2HA GLY 8 -6.965 -2.444 4.561
40 2HA GLY 8 1HA GLY 8 -8.070 -3.655 5.174
41 H THR 9 H THR 9 -5.867 -4.275 2.588
42 HA THR 9 HA THR 9 -4.000 -5.679 4.338
43 HB THR 9 HB THR 9 -4.053 -7.658 2.751
44 HG1 THR 9 HG1 THR 9 -5.355 -6.446 1.159
45 1HG2 THR 9 1HG2 THR 9 -5.021 -8.441 4.620
46 2HG2 THR 9 2HG2 THR 9 -6.541 -8.244 3.746
47 3HG2 THR 9 3HG2 THR 9 -5.984 -6.979 4.842
48 H CYS 10 H CYS 10 -1.936 -5.823 3.514
49 HA CYS 10 HA CYS 10 -1.476 -4.710 0.826
50 1HB CYS 10 2HB CYS 10 0.418 -4.334 3.132
51 2HB CYS 10 1HB CYS 10 0.458 -3.548 1.568
52 H ASN 11 H ASN 11 0.659 -5.292 -0.027
53 HA ASN 11 HA ASN 11 1.122 -8.144 0.360
54 1HB ASN 11 2HB ASN 11 0.955 -7.314 -1.929
55 2HB ASN 11 1HB ASN 11 2.252 -6.162 -1.634
56 1HD2 ASN 11 1HD2 ASN 11 4.151 -6.741 -2.363
57 2HD2 ASN 11 2HD2 ASN 11 4.703 -8.359 -2.605
58 H THR 12 H THR 12 2.662 -5.059 0.852
59 HA THR 12 HA THR 12 5.262 -6.045 1.471
60 HB THR 12 HB THR 12 4.037 -3.434 2.379
61 HG1 THR 12 HG1 THR 12 3.796 -3.572 0.142
62 1HG2 THR 12 1HG2 THR 12 6.904 -3.914 1.642
63 2HG2 THR 12 2HG2 THR 12 6.316 -4.285 3.263
64 3HG2 THR 12 3HG2 THR 12 6.212 -2.637 2.642
65 HA PRO 13 HA PRO 13 4.312 -7.631 5.531
66 1HB PRO 13 2HB PRO 13 6.898 -8.003 6.333
67 2HB PRO 13 1HB PRO 13 6.024 -9.127 5.287
68 1HG PRO 13 2HG PRO 13 8.001 -7.008 4.561
69 2HG PRO 13 1HG PRO 13 7.816 -8.645 3.914
70 1HD PRO 13 2HD PRO 13 6.913 -6.460 2.604
71 2HD PRO 13 1HD PRO 13 6.100 -8.035 2.502
72 H GLY 14 H GLY 14 3.852 -6.552 7.291
73 1HA GLY 14 2HA GLY 14 3.934 -5.035 9.017
74 2HA GLY 14 1HA GLY 14 5.636 -4.808 8.644
75 H ALA 15 H ALA 15 2.918 -4.257 6.469
76 HA ALA 15 HA ALA 15 3.813 -1.501 6.138
77 1HB ALA 15 1HB ALA 15 1.594 -2.603 4.505
78 2HB ALA 15 2HB ALA 15 3.209 -3.266 4.250
79 3HB ALA 15 3HB ALA 15 2.922 -1.538 4.044
80 H THR 16 H THR 16 2.495 0.258 6.431
81 HA THR 16 HA THR 16 0.282 -0.119 8.280
82 HB THR 16 HB THR 16 1.149 2.564 7.290
83 HG1 THR 16 HG1 THR 16 2.715 0.725 8.680
84 1HG2 THR 16 1HG2 THR 16 0.914 2.328 10.123
85 2HG2 THR 16 2HG2 THR 16 -0.481 1.550 9.375
86 3HG2 THR 16 3HG2 THR 16 -0.106 3.233 9.004
87 H CYS 17 H CYS 17 -1.803 0.693 7.860
88 HA CYS 17 HA CYS 17 -2.461 0.745 5.027
89 1HB CYS 17 2HB CYS 17 -3.713 -0.772 6.526
90 2HB CYS 17 1HB CYS 17 -4.312 0.627 7.413
91 H SER 18 H SER 18 -3.198 2.439 3.964
92 HA SER 18 HA SER 18 -4.067 4.836 5.381
93 1HB SER 18 2HB SER 18 -1.960 4.809 3.202
94 2HB SER 18 1HB SER 18 -2.650 6.254 3.940
95 HG SER 18 HG SER 18 -1.832 4.851 5.951
96 H TRP 19 H TRP 19 -5.906 3.419 4.545
97 HA TRP 19 HA TRP 19 -6.743 2.822 2.139
98 1HB TRP 19 2HB TRP 19 -8.066 3.012 4.395
99 2HB TRP 19 1HB TRP 19 -8.656 4.515 3.693
100 HD1 TRP 19 HD1 TRP 19 -8.937 0.744 3.361
101 HE1 TRP 19 HE1 TRP 19 -10.833 0.169 1.721
102 HE3 TRP 19 HE3 TRP 19 -9.926 5.435 1.602
103 HZ2 TRP 19 HZ2 TRP 19 -12.527 1.528 -0.080
104 HZ3 TRP 19 HZ3 TRP 19 -11.703 5.716 -0.078
105 HH2 TRP 19 HH2 TRP 19 -12.974 3.801 -0.902
106 HA PRO 20 HA PRO 20 -7.398 2.553 0.581
107 1HB PRO 20 2HB PRO 20 -7.639 2.692 -2.036
108 2HB PRO 20 1HB PRO 20 -8.920 3.296 -0.983
109 1HG PRO 20 2HG PRO 20 -6.927 4.811 -2.583
110 2HG PRO 20 1HG PRO 20 -8.587 5.249 -2.151
111 1HD PRO 20 2HD PRO 20 -6.172 6.049 -0.844
112 2HD PRO 20 1HD PRO 20 -7.840 6.412 -0.355
113 H VAL 21 H VAL 21 -4.711 3.904 0.910
114 HA VAL 21 HA VAL 21 -3.242 2.153 -0.965
115 HB VAL 21 HB VAL 21 -1.372 3.875 -0.899
116 1HG1 VAL 21 1HG1 VAL 21 -3.958 4.353 -2.359
117 2HG1 VAL 21 2HG1 VAL 21 -2.512 3.528 -2.941
118 3HG1 VAL 21 3HG1 VAL 21 -2.491 5.273 -2.691
119 1HG2 VAL 21 1HG2 VAL 21 -3.413 5.288 0.607
120 2HG2 VAL 21 2HG2 VAL 21 -2.796 6.225 -0.754
121 3HG2 VAL 21 3HG2 VAL 21 -1.684 5.605 0.467
122 H CYS 22 H CYS 22 -0.991 1.620 -0.255
123 HA CYS 22 HA CYS 22 -1.014 1.272 2.668
124 1HB CYS 22 2HB CYS 22 0.493 -0.170 0.502
125 2HB CYS 22 1HB CYS 22 0.694 -0.491 2.215
126 H THR 23 H THR 23 0.753 1.800 3.934
127 HA THR 23 HA THR 23 2.920 3.288 2.628
128 HB THR 23 HB THR 23 2.897 4.883 4.587
129 HG1 THR 23 HG1 THR 23 0.248 4.589 5.124
130 1HG2 THR 23 1HG2 THR 23 1.164 4.830 2.285
131 2HG2 THR 23 2HG2 THR 23 1.986 6.199 3.034
132 3HG2 THR 23 3HG2 THR 23 0.396 5.700 3.614
133 H ARG 24 H ARG 24 4.810 3.556 4.111
134 HA ARG 24 HA ARG 24 4.951 1.693 6.324
135 1HB ARG 24 2HB ARG 24 5.547 0.562 4.012
136 2HB ARG 24 1HB ARG 24 7.072 1.407 4.230
137 1HG ARG 24 2HG ARG 24 7.477 0.262 6.300
138 2HG ARG 24 1HG ARG 24 5.878 -0.484 6.244
139 1HD ARG 24 2HD ARG 24 6.585 -1.530 4.054
140 2HD ARG 24 1HD ARG 24 8.218 -0.977 4.416
141 HE ARG 24 HE ARG 24 6.892 -3.244 5.513
142 1HH1 ARG 24 1HH1 ARG 24 9.239 -0.759 6.291
143 2HH1 ARG 24 2HH1 ARG 24 10.001 -1.690 7.536
144 1HH2 ARG 24 1HH2 ARG 24 7.885 -4.472 7.134
145 2HH2 ARG 24 2HH2 ARG 24 9.228 -3.818 8.018
146 H ASN 25 H ASN 25 6.024 2.676 7.880
147 HA ASN 25 HA ASN 25 7.323 4.138 9.028
148 1HB ASN 25 2HB ASN 25 9.092 2.844 7.696
149 2HB ASN 25 1HB ASN 25 9.150 4.243 6.627
150 1HD2 ASN 25 1HD2 ASN 25 10.678 5.648 7.088
151 2HD2 ASN 25 2HD2 ASN 25 11.368 5.931 8.645
152 H GLY 26 H GLY 26 5.180 5.165 7.460
153 1HA GLY 26 2HA GLY 26 4.298 7.277 7.150
154 2HA GLY 26 1HA GLY 26 5.877 7.951 7.516
155 H LEU 27 H LEU 27 6.093 5.615 5.081
156 HA LEU 27 HA LEU 27 5.925 7.702 3.001
157 1HB LEU 27 2HB LEU 27 7.981 5.559 3.436
158 2HB LEU 27 1HB LEU 27 7.666 6.151 1.820
159 HG LEU 27 HG LEU 27 9.554 7.329 2.601
160 1HD1 LEU 27 1HD1 LEU 27 8.394 9.692 3.103
161 2HD1 LEU 27 2HD1 LEU 27 7.017 8.813 2.436
162 3HD1 LEU 27 3HD1 LEU 27 8.499 8.976 1.494
163 1HD2 LEU 27 1HD2 LEU 27 8.014 7.608 5.148
164 2HD2 LEU 27 2HD2 LEU 27 9.301 8.746 4.747
165 3HD2 LEU 27 3HD2 LEU 27 9.659 7.025 4.889
166 HA PRO 28 HA PRO 28 2.873 4.999 1.272
167 1HB PRO 28 2HB PRO 28 3.381 6.322 -1.282
168 2HB PRO 28 1HB PRO 28 1.910 6.287 -0.313
169 1HG PRO 28 2HG PRO 28 3.444 8.511 -0.565
170 2HG PRO 28 1HG PRO 28 2.485 8.156 0.881
171 1HD PRO 28 2HD PRO 28 5.421 7.889 0.440
172 2HD PRO 28 1HD PRO 28 4.532 8.335 1.909
173 H VAL 29 H VAL 29 2.863 3.132 0.195
174 HA VAL 29 HA VAL 29 5.389 2.252 -0.970
175 HB VAL 29 HB VAL 29 2.933 0.585 -0.341
176 1HG1 VAL 29 1HG1 VAL 29 4.340 -0.470 -1.990
177 2HG1 VAL 29 2HG1 VAL 29 4.571 -1.288 -0.445
178 3HG1 VAL 29 3HG1 VAL 29 5.782 -0.148 -1.028
179 1HG2 VAL 29 1HG2 VAL 29 3.725 1.475 1.722
180 2HG2 VAL 29 2HG2 VAL 29 5.404 1.153 1.289
181 3HG2 VAL 29 3HG2 VAL 29 4.305 -0.188 1.612
Start of MODEL 19
1 H ALA 1 H ALA 1 5.089 3.421 -3.420
2 HA ALA 1 HA ALA 1 2.717 4.054 -4.826
3 1HB ALA 1 1HB ALA 1 4.549 3.647 -6.794
4 2HB ALA 1 2HB ALA 1 5.587 3.965 -5.405
5 3HB ALA 1 3HB ALA 1 4.365 5.144 -5.881
6 H GLY 2 H GLY 2 1.299 2.761 -5.762
7 1HA GLY 2 2HA GLY 2 0.721 1.031 -7.283
8 2HA GLY 2 1HA GLY 2 2.202 0.196 -6.846
9 H GLU 3 H GLU 3 1.816 0.409 -3.976
10 HA GLU 3 HA GLU 3 0.025 -1.837 -3.719
11 1HB GLU 3 2HB GLU 3 2.273 -1.531 -2.500
12 2HB GLU 3 1HB GLU 3 1.388 -0.466 -1.418
13 1HG GLU 3 2HG GLU 3 -0.048 -2.217 -0.724
14 2HG GLU 3 1HG GLU 3 0.548 -3.291 -1.985
15 H THR 4 H THR 4 -2.031 -1.730 -3.252
16 HA THR 4 HA THR 4 -3.065 0.729 -2.040
17 HB THR 4 HB THR 4 -5.293 -0.036 -2.925
18 HG1 THR 4 HG1 THR 4 -3.923 -1.608 -4.805
19 1HG2 THR 4 1HG2 THR 4 -4.309 1.741 -4.093
20 2HG2 THR 4 2HG2 THR 4 -4.662 0.554 -5.350
21 3HG2 THR 4 3HG2 THR 4 -3.018 0.726 -4.736
22 H CYS 5 H CYS 5 -4.695 0.559 -0.448
23 HA CYS 5 HA CYS 5 -4.706 -2.039 0.945
24 1HB CYS 5 2HB CYS 5 -3.426 -0.143 2.089
25 2HB CYS 5 1HB CYS 5 -4.987 0.646 2.310
26 H VAL 6 H VAL 6 -6.531 -1.428 -1.022
27 HA VAL 6 HA VAL 6 -8.914 -0.236 -0.114
28 HB VAL 6 HB VAL 6 -8.706 -2.433 -2.176
29 1HG1 VAL 6 1HG1 VAL 6 -10.699 -0.187 -2.030
30 2HG1 VAL 6 2HG1 VAL 6 -10.982 -1.772 -1.312
31 3HG1 VAL 6 3HG1 VAL 6 -10.748 -1.623 -3.053
32 1HG2 VAL 6 1HG2 VAL 6 -8.392 0.546 -2.530
33 2HG2 VAL 6 2HG2 VAL 6 -8.485 -0.635 -3.836
34 3HG2 VAL 6 3HG2 VAL 6 -7.125 -0.667 -2.714
35 H GLY 7 H GLY 7 -7.735 -3.552 0.019
36 1HA GLY 7 2HA GLY 7 -10.170 -4.534 1.249
37 2HA GLY 7 1HA GLY 7 -8.718 -5.453 0.911
38 H GLY 8 H GLY 8 -8.041 -2.592 2.461
39 1HA GLY 8 2HA GLY 8 -7.454 -2.019 4.616
40 2HA GLY 8 1HA GLY 8 -8.507 -3.309 5.165
41 H THR 9 H THR 9 -6.097 -4.169 2.941
42 HA THR 9 HA THR 9 -4.126 -4.881 4.940
43 HB THR 9 HB THR 9 -4.163 -7.271 3.750
44 HG1 THR 9 HG1 THR 9 -6.893 -6.428 3.753
45 1HG2 THR 9 1HG2 THR 9 -5.907 -7.871 5.680
46 2HG2 THR 9 2HG2 THR 9 -5.505 -6.229 6.181
47 3HG2 THR 9 3HG2 THR 9 -4.232 -7.439 6.020
48 H CYS 10 H CYS 10 -2.092 -5.258 4.075
49 HA CYS 10 HA CYS 10 -1.796 -4.585 1.231
50 1HB CYS 10 2HB CYS 10 0.316 -4.394 3.376
51 2HB CYS 10 1HB CYS 10 0.414 -3.786 1.734
52 H ASN 11 H ASN 11 0.301 -5.499 0.320
53 HA ASN 11 HA ASN 11 0.261 -8.384 0.818
54 1HB ASN 11 2HB ASN 11 1.267 -6.735 -1.505
55 2HB ASN 11 1HB ASN 11 1.597 -8.457 -1.350
56 1HD2 ASN 11 1HD2 ASN 11 0.244 -9.739 -2.358
57 2HD2 ASN 11 2HD2 ASN 11 -1.392 -9.374 -2.773
58 H THR 12 H THR 12 2.268 -5.558 0.968
59 HA THR 12 HA THR 12 4.713 -7.048 1.358
60 HB THR 12 HB THR 12 4.311 -4.127 2.004
61 HG1 THR 12 HG1 THR 12 3.811 -3.926 -0.055
62 1HG2 THR 12 1HG2 THR 12 6.541 -4.061 2.186
63 2HG2 THR 12 2HG2 THR 12 6.759 -4.939 0.673
64 3HG2 THR 12 3HG2 THR 12 6.509 -5.824 2.178
65 HA PRO 13 HA PRO 13 3.953 -7.945 5.648
66 1HB PRO 13 2HB PRO 13 6.888 -8.323 5.716
67 2HB PRO 13 1HB PRO 13 5.596 -9.447 6.151
68 1HG PRO 13 2HG PRO 13 7.000 -9.760 3.906
69 2HG PRO 13 1HG PRO 13 5.267 -10.126 3.966
70 1HD PRO 13 2HD PRO 13 6.667 -7.744 2.817
71 2HD PRO 13 1HD PRO 13 5.254 -8.628 2.205
72 H GLY 14 H GLY 14 3.917 -6.744 7.413
73 1HA GLY 14 2HA GLY 14 4.387 -5.116 8.957
74 2HA GLY 14 1HA GLY 14 6.024 -5.092 8.326
75 H ALA 15 H ALA 15 3.170 -4.407 6.395
76 HA ALA 15 HA ALA 15 4.191 -1.680 5.998
77 1HB ALA 15 1HB ALA 15 1.968 -2.695 4.323
78 2HB ALA 15 2HB ALA 15 3.535 -3.477 4.116
79 3HB ALA 15 3HB ALA 15 3.380 -1.737 3.879
80 H THR 16 H THR 16 2.826 0.100 6.218
81 HA THR 16 HA THR 16 0.639 -0.278 8.098
82 HB THR 16 HB THR 16 1.479 2.396 7.055
83 HG1 THR 16 HG1 THR 16 3.040 0.590 8.492
84 1HG2 THR 16 1HG2 THR 16 0.641 1.393 9.777
85 2HG2 THR 16 2HG2 THR 16 -0.377 2.269 8.634
86 3HG2 THR 16 3HG2 THR 16 1.009 3.070 9.373
87 H CYS 17 H CYS 17 -1.464 0.548 7.710
88 HA CYS 17 HA CYS 17 -2.151 0.604 4.872
89 1HB CYS 17 2HB CYS 17 -3.345 -1.022 6.290
90 2HB CYS 17 1HB CYS 17 -3.969 0.302 7.270
91 H SER 18 H SER 18 -3.102 2.266 3.895
92 HA SER 18 HA SER 18 -3.990 4.590 5.404
93 1HB SER 18 2HB SER 18 -1.886 4.691 3.228
94 2HB SER 18 1HB SER 18 -2.647 6.102 3.960
95 HG SER 18 HG SER 18 -1.779 4.684 5.965
96 H TRP 19 H TRP 19 -5.806 3.168 4.540
97 HA TRP 19 HA TRP 19 -6.646 2.638 2.112
98 1HB TRP 19 2HB TRP 19 -7.949 2.711 4.397
99 2HB TRP 19 1HB TRP 19 -8.603 4.208 3.736
100 HD1 TRP 19 HD1 TRP 19 -8.731 0.436 3.304
101 HE1 TRP 19 HE1 TRP 19 -10.608 -0.172 1.653
102 HE3 TRP 19 HE3 TRP 19 -9.924 5.128 1.687
103 HZ2 TRP 19 HZ2 TRP 19 -12.366 1.165 -0.099
104 HZ3 TRP 19 HZ3 TRP 19 -11.721 5.383 0.021
105 HH2 TRP 19 HH2 TRP 19 -12.916 3.440 -0.853
106 HA PRO 20 HA PRO 20 -7.368 2.422 0.559
107 1HB PRO 20 2HB PRO 20 -7.616 2.656 -2.052
108 2HB PRO 20 1HB PRO 20 -8.900 3.204 -0.974
109 1HG PRO 20 2HG PRO 20 -6.919 4.803 -2.509
110 2HG PRO 20 1HG PRO 20 -8.591 5.199 -2.079
111 1HD PRO 20 2HD PRO 20 -6.215 6.010 -0.727
112 2HD PRO 20 1HD PRO 20 -7.893 6.292 -0.221
113 H VAL 21 H VAL 21 -4.693 3.792 0.923
114 HA VAL 21 HA VAL 21 -3.223 2.104 -1.001
115 HB VAL 21 HB VAL 21 -1.358 3.801 -0.945
116 1HG1 VAL 21 1HG1 VAL 21 -3.043 5.435 -2.394
117 2HG1 VAL 21 2HG1 VAL 21 -3.861 3.872 -2.425
118 3HG1 VAL 21 3HG1 VAL 21 -2.200 4.010 -3.003
119 1HG2 VAL 21 1HG2 VAL 21 -1.856 5.203 0.858
120 2HG2 VAL 21 2HG2 VAL 21 -3.526 5.429 0.338
121 3HG2 VAL 21 3HG2 VAL 21 -2.211 6.180 -0.566
122 H CYS 22 H CYS 22 -0.873 1.789 -0.305
123 HA CYS 22 HA CYS 22 -0.887 1.229 2.581
124 1HB CYS 22 2HB CYS 22 0.551 -0.119 0.292
125 2HB CYS 22 1HB CYS 22 0.928 -0.438 1.986
126 H THR 23 H THR 23 0.940 1.694 3.835
127 HA THR 23 HA THR 23 2.992 3.377 2.584
128 HB THR 23 HB THR 23 2.896 4.893 4.598
129 HG1 THR 23 HG1 THR 23 0.293 4.463 5.178
130 1HG2 THR 23 1HG2 THR 23 0.379 5.668 3.734
131 2HG2 THR 23 2HG2 THR 23 1.049 4.796 2.355
132 3HG2 THR 23 3HG2 THR 23 1.922 6.167 3.040
133 H ARG 24 H ARG 24 4.807 3.790 4.172
134 HA ARG 24 HA ARG 24 5.123 1.797 6.247
135 1HB ARG 24 2HB ARG 24 5.866 0.620 4.205
136 2HB ARG 24 1HB ARG 24 7.008 1.917 3.882
137 1HG ARG 24 2HG ARG 24 8.145 1.389 6.011
138 2HG ARG 24 1HG ARG 24 7.044 0.032 6.227
139 1HD ARG 24 2HD ARG 24 8.814 0.373 3.814
140 2HD ARG 24 1HD ARG 24 9.279 -0.554 5.240
141 HE ARG 24 HE ARG 24 7.462 -1.349 3.171
142 1HH1 ARG 24 1HH1 ARG 24 8.386 -1.831 6.511
143 2HH1 ARG 24 2HH1 ARG 24 7.547 -3.338 6.663
144 1HH2 ARG 24 1HH2 ARG 24 6.363 -3.348 3.367
145 2HH2 ARG 24 2HH2 ARG 24 6.420 -4.219 4.868
146 H ASN 25 H ASN 25 5.948 2.860 7.906
147 HA ASN 25 HA ASN 25 7.035 4.399 9.177
148 1HB ASN 25 2HB ASN 25 8.948 4.196 6.853
149 2HB ASN 25 1HB ASN 25 9.286 5.189 8.265
150 1HD2 ASN 25 1HD2 ASN 25 7.703 3.004 9.801
151 2HD2 ASN 25 2HD2 ASN 25 8.905 1.798 10.080
152 H GLY 26 H GLY 26 4.938 5.357 7.534
153 1HA GLY 26 2HA GLY 26 3.976 7.438 7.233
154 2HA GLY 26 1HA GLY 26 5.512 8.171 7.660
155 H LEU 27 H LEU 27 5.987 5.893 5.248
156 HA LEU 27 HA LEU 27 5.880 7.996 3.184
157 1HB LEU 27 2HB LEU 27 7.703 5.591 3.362
158 2HB LEU 27 1HB LEU 27 7.679 6.744 2.042
159 HG LEU 27 HG LEU 27 8.424 7.385 4.898
160 1HD1 LEU 27 1HD1 LEU 27 10.686 7.522 4.131
161 2HD1 LEU 27 2HD1 LEU 27 10.192 7.218 2.466
162 3HD1 LEU 27 3HD1 LEU 27 10.045 5.943 3.676
163 1HD2 LEU 27 1HD2 LEU 27 7.365 9.152 3.245
164 2HD2 LEU 27 2HD2 LEU 27 9.005 9.174 2.596
165 3HD2 LEU 27 3HD2 LEU 27 8.723 9.568 4.292
166 HA PRO 28 HA PRO 28 2.760 5.390 1.408
167 1HB PRO 28 2HB PRO 28 3.057 6.965 -1.020
168 2HB PRO 28 1HB PRO 28 1.675 6.832 0.064
169 1HG PRO 28 2HG PRO 28 3.198 9.078 -0.119
170 2HG PRO 28 1HG PRO 28 2.347 8.598 1.360
171 1HD PRO 28 2HD PRO 28 5.240 8.348 0.669
172 2HD PRO 28 1HD PRO 28 4.476 8.702 2.231
173 H VAL 29 H VAL 29 2.717 3.648 0.170
174 HA VAL 29 HA VAL 29 5.137 2.975 -1.332
175 HB VAL 29 HB VAL 29 2.832 1.178 -0.515
176 1HG1 VAL 29 1HG1 VAL 29 5.327 -0.147 -1.077
177 2HG1 VAL 29 2HG1 VAL 29 4.805 0.804 -2.467
178 3HG1 VAL 29 3HG1 VAL 29 3.733 -0.417 -1.779
179 1HG2 VAL 29 1HG2 VAL 29 4.012 1.930 1.447
180 2HG2 VAL 29 2HG2 VAL 29 5.567 1.554 0.704
181 3HG2 VAL 29 3HG2 VAL 29 4.451 0.253 1.121
Start of MODEL 20
1 H ALA 1 H ALA 1 5.891 1.994 -2.819
2 HA ALA 1 HA ALA 1 4.099 2.936 -4.770
3 1HB ALA 1 1HB ALA 1 5.873 2.903 -6.149
4 2HB ALA 1 2HB ALA 1 6.306 1.248 -5.723
5 3HB ALA 1 3HB ALA 1 6.778 2.582 -4.670
6 H GLY 2 H GLY 2 2.483 1.968 -5.741
7 1HA GLY 2 2HA GLY 2 1.174 0.361 -6.721
8 2HA GLY 2 1HA GLY 2 2.590 -0.678 -6.750
9 H GLU 3 H GLU 3 1.203 0.708 -3.828
10 HA GLU 3 HA GLU 3 0.203 -1.959 -3.102
11 1HB GLU 3 2HB GLU 3 2.406 -1.406 -2.012
12 2HB GLU 3 1HB GLU 3 1.603 -0.073 -1.206
13 1HG GLU 3 2HG GLU 3 1.805 -1.973 0.262
14 2HG GLU 3 1HG GLU 3 0.112 -1.633 -0.090
15 H THR 4 H THR 4 -1.898 -1.815 -2.867
16 HA THR 4 HA THR 4 -3.029 0.664 -1.773
17 HB THR 4 HB THR 4 -5.176 -0.038 -2.806
18 HG1 THR 4 HG1 THR 4 -3.772 -2.292 -3.273
19 1HG2 THR 4 1HG2 THR 4 -3.232 0.044 -5.057
20 2HG2 THR 4 2HG2 THR 4 -3.222 1.385 -3.909
21 3HG2 THR 4 3HG2 THR 4 -4.697 0.990 -4.792
22 H CYS 5 H CYS 5 -4.740 0.522 -0.285
23 HA CYS 5 HA CYS 5 -4.861 -2.067 1.117
24 1HB CYS 5 2HB CYS 5 -3.665 -0.186 2.343
25 2HB CYS 5 1HB CYS 5 -5.221 0.637 2.423
26 H VAL 6 H VAL 6 -6.553 -1.414 -0.987
27 HA VAL 6 HA VAL 6 -9.000 -0.267 -0.190
28 HB VAL 6 HB VAL 6 -8.645 -2.399 -2.299
29 1HG1 VAL 6 1HG1 VAL 6 -10.566 -0.342 -2.886
30 2HG1 VAL 6 2HG1 VAL 6 -10.934 -1.112 -1.342
31 3HG1 VAL 6 3HG1 VAL 6 -10.785 -2.091 -2.802
32 1HG2 VAL 6 1HG2 VAL 6 -7.207 -0.153 -2.311
33 2HG2 VAL 6 2HG2 VAL 6 -8.692 0.470 -3.030
34 3HG2 VAL 6 3HG2 VAL 6 -7.845 -0.880 -3.786
35 H GLY 7 H GLY 7 -7.800 -3.579 -0.117
36 1HA GLY 7 2HA GLY 7 -10.280 -4.606 0.977
37 2HA GLY 7 1HA GLY 7 -8.824 -5.522 0.643
38 H GLY 8 H GLY 8 -7.990 -2.825 2.296
39 1HA GLY 8 2HA GLY 8 -7.610 -2.312 4.524
40 2HA GLY 8 1HA GLY 8 -8.601 -3.689 4.965
41 H THR 9 H THR 9 -6.171 -4.458 2.762
42 HA THR 9 HA THR 9 -4.172 -5.086 4.783
43 HB THR 9 HB THR 9 -3.980 -7.441 3.836
44 HG1 THR 9 HG1 THR 9 -5.533 -6.850 2.070
45 1HG2 THR 9 1HG2 THR 9 -6.179 -8.155 5.149
46 2HG2 THR 9 2HG2 THR 9 -6.114 -6.469 5.662
47 3HG2 THR 9 3HG2 THR 9 -4.752 -7.541 5.983
48 H CYS 10 H CYS 10 -2.111 -5.209 3.971
49 HA CYS 10 HA CYS 10 -1.804 -4.619 1.103
50 1HB CYS 10 2HB CYS 10 0.368 -4.234 3.137
51 2HB CYS 10 1HB CYS 10 0.187 -3.472 1.571
52 H ASN 11 H ASN 11 0.162 -5.484 0.108
53 HA ASN 11 HA ASN 11 0.491 -8.300 0.784
54 1HB ASN 11 2HB ASN 11 0.120 -7.792 -1.552
55 2HB ASN 11 1HB ASN 11 1.426 -6.613 -1.553
56 1HD2 ASN 11 1HD2 ASN 11 3.237 -7.275 -2.413
57 2HD2 ASN 11 2HD2 ASN 11 3.783 -8.910 -2.519
58 H THR 12 H THR 12 2.241 -5.299 0.658
59 HA THR 12 HA THR 12 4.849 -6.285 1.112
60 HB THR 12 HB THR 12 3.724 -3.575 1.850
61 HG1 THR 12 HG1 THR 12 3.371 -4.051 -0.363
62 1HG2 THR 12 1HG2 THR 12 5.801 -3.432 2.761
63 2HG2 THR 12 2HG2 THR 12 6.257 -3.108 1.090
64 3HG2 THR 12 3HG2 THR 12 6.449 -4.729 1.758
65 HA PRO 13 HA PRO 13 4.388 -7.507 5.375
66 1HB PRO 13 2HB PRO 13 7.063 -7.785 5.900
67 2HB PRO 13 1HB PRO 13 6.082 -9.008 5.085
68 1HG PRO 13 2HG PRO 13 7.924 -6.965 3.916
69 2HG PRO 13 1HG PRO 13 7.688 -8.661 3.459
70 1HD PRO 13 2HD PRO 13 6.598 -6.634 2.054
71 2HD PRO 13 1HD PRO 13 5.785 -8.202 2.234
72 H GLY 14 H GLY 14 4.194 -6.366 7.150
73 1HA GLY 14 2HA GLY 14 4.475 -4.754 8.759
74 2HA GLY 14 1HA GLY 14 6.076 -4.466 8.097
75 H ALA 15 H ALA 15 3.179 -4.173 6.156
76 HA ALA 15 HA ALA 15 3.770 -1.330 5.835
77 1HB ALA 15 1HB ALA 15 1.617 -2.298 4.175
78 2HB ALA 15 2HB ALA 15 3.049 -3.318 4.024
79 3HB ALA 15 3HB ALA 15 3.163 -1.586 3.711
80 H THR 16 H THR 16 2.401 0.259 6.414
81 HA THR 16 HA THR 16 0.173 -0.461 8.140
82 HB THR 16 HB THR 16 0.951 2.362 7.519
83 HG1 THR 16 HG1 THR 16 2.573 0.444 8.608
84 1HG2 THR 16 1HG2 THR 16 0.178 2.814 9.712
85 2HG2 THR 16 2HG2 THR 16 0.206 1.106 10.151
86 3HG2 THR 16 3HG2 THR 16 -0.997 1.702 9.008
87 H CYS 17 H CYS 17 -1.933 0.309 7.790
88 HA CYS 17 HA CYS 17 -2.618 0.540 4.993
89 1HB CYS 17 2HB CYS 17 -3.874 -0.969 6.522
90 2HB CYS 17 1HB CYS 17 -4.458 0.449 7.386
91 H SER 18 H SER 18 -3.399 2.251 3.980
92 HA SER 18 HA SER 18 -4.206 4.641 5.432
93 1HB SER 18 2HB SER 18 -2.099 4.657 3.254
94 2HB SER 18 1HB SER 18 -2.762 6.080 4.058
95 HG SER 18 HG SER 18 -1.935 4.538 5.985
96 H TRP 19 H TRP 19 -6.017 3.183 4.519
97 HA TRP 19 HA TRP 19 -6.810 2.676 2.079
98 1HB TRP 19 2HB TRP 19 -8.168 2.775 4.340
99 2HB TRP 19 1HB TRP 19 -8.813 4.253 3.629
100 HD1 TRP 19 HD1 TRP 19 -8.876 0.470 3.247
101 HE1 TRP 19 HE1 TRP 19 -10.698 -0.186 1.553
102 HE3 TRP 19 HE3 TRP 19 -10.101 5.125 1.544
103 HZ2 TRP 19 HZ2 TRP 19 -12.426 1.102 -0.264
104 HZ3 TRP 19 HZ3 TRP 19 -11.853 5.331 -0.174
105 HH2 TRP 19 HH2 TRP 19 -12.992 3.359 -1.058
106 HA PRO 20 HA PRO 20 -7.531 2.457 0.523
107 1HB PRO 20 2HB PRO 20 -7.661 2.663 -2.099
108 2HB PRO 20 1HB PRO 20 -8.980 3.252 -1.087
109 1HG PRO 20 2HG PRO 20 -6.874 4.791 -2.525
110 2HG PRO 20 1HG PRO 20 -8.569 5.215 -2.229
111 1HD PRO 20 2HD PRO 20 -6.313 6.055 -0.730
112 2HD PRO 20 1HD PRO 20 -8.021 6.296 -0.313
113 H VAL 21 H VAL 21 -4.842 3.887 0.920
114 HA VAL 21 HA VAL 21 -3.324 2.110 -0.887
115 HB VAL 21 HB VAL 21 -1.449 3.793 -0.799
116 1HG1 VAL 21 1HG1 VAL 21 -2.267 5.026 -2.673
117 2HG1 VAL 21 2HG1 VAL 21 -3.942 4.779 -2.176
118 3HG1 VAL 21 3HG1 VAL 21 -2.980 3.414 -2.746
119 1HG2 VAL 21 1HG2 VAL 21 -1.748 5.427 0.709
120 2HG2 VAL 21 2HG2 VAL 21 -3.505 5.264 0.689
121 3HG2 VAL 21 3HG2 VAL 21 -2.690 6.194 -0.570
122 H CYS 22 H CYS 22 -0.886 2.077 -0.053
123 HA CYS 22 HA CYS 22 -1.028 1.524 2.844
124 1HB CYS 22 2HB CYS 22 0.413 -0.003 0.671
125 2HB CYS 22 1HB CYS 22 0.669 -0.274 2.394
126 H THR 23 H THR 23 0.717 2.056 4.119
127 HA THR 23 HA THR 23 2.952 3.461 2.825
128 HB THR 23 HB THR 23 2.907 5.125 4.721
129 HG1 THR 23 HG1 THR 23 0.204 4.722 5.166
130 1HG2 THR 23 1HG2 THR 23 2.145 6.005 2.692
131 2HG2 THR 23 2HG2 THR 23 0.826 6.356 3.809
132 3HG2 THR 23 3HG2 THR 23 0.696 5.000 2.688
133 H ARG 24 H ARG 24 4.870 3.575 4.144
134 HA ARG 24 HA ARG 24 4.920 1.996 6.575
135 1HB ARG 24 2HB ARG 24 5.313 0.384 4.671
136 2HB ARG 24 1HB ARG 24 6.768 1.293 4.285
137 1HG ARG 24 2HG ARG 24 7.766 0.727 6.376
138 2HG ARG 24 1HG ARG 24 6.262 0.016 6.962
139 1HD ARG 24 2HD ARG 24 7.757 -1.747 6.309
140 2HD ARG 24 1HD ARG 24 6.417 -1.681 5.167
141 HE ARG 24 HE ARG 24 8.528 -0.126 4.174
142 1HH1 ARG 24 1HH1 ARG 24 7.719 -3.474 4.793
143 2HH1 ARG 24 2HH1 ARG 24 8.760 -4.090 3.552
144 1HH2 ARG 24 1HH2 ARG 24 9.906 -0.931 2.525
145 2HH2 ARG 24 2HH2 ARG 24 10.008 -2.639 2.256
146 H ASN 25 H ASN 25 6.267 2.889 7.990
147 HA ASN 25 HA ASN 25 7.726 4.335 8.942
148 1HB ASN 25 2HB ASN 25 9.174 3.921 6.321
149 2HB ASN 25 1HB ASN 25 9.842 4.859 7.651
150 1HD2 ASN 25 1HD2 ASN 25 11.210 3.782 8.853
151 2HD2 ASN 25 2HD2 ASN 25 11.183 2.083 9.165
152 H GLY 26 H GLY 26 5.456 5.348 7.473
153 1HA GLY 26 2HA GLY 26 4.575 7.451 7.135
154 2HA GLY 26 1HA GLY 26 6.157 8.124 7.496
155 H LEU 27 H LEU 27 6.095 5.720 5.065
156 HA LEU 27 HA LEU 27 6.037 7.769 2.953
157 1HB LEU 27 2HB LEU 27 8.371 7.096 3.516
158 2HB LEU 27 1HB LEU 27 7.957 5.438 3.127
159 HG LEU 27 HG LEU 27 7.440 6.208 0.787
160 1HD1 LEU 27 1HD1 LEU 27 8.476 8.359 0.104
161 2HD1 LEU 27 2HD1 LEU 27 8.704 8.744 1.809
162 3HD1 LEU 27 3HD1 LEU 27 7.077 8.549 1.160
163 1HD2 LEU 27 1HD2 LEU 27 10.268 6.726 1.687
164 2HD2 LEU 27 2HD2 LEU 27 9.731 6.199 0.093
165 3HD2 LEU 27 3HD2 LEU 27 9.570 5.121 1.479
166 HA PRO 28 HA PRO 28 2.954 4.984 1.374
167 1HB PRO 28 2HB PRO 28 3.437 6.237 -1.228
168 2HB PRO 28 1HB PRO 28 1.961 6.188 -0.266
169 1HG PRO 28 2HG PRO 28 3.423 8.446 -0.562
170 2HG PRO 28 1HG PRO 28 2.491 8.090 0.902
171 1HD PRO 28 2HD PRO 28 5.428 7.903 0.428
172 2HD PRO 28 1HD PRO 28 4.545 8.351 1.902
173 H VAL 29 H VAL 29 2.945 3.083 0.337
174 HA VAL 29 HA VAL 29 5.487 2.156 -0.730
175 HB VAL 29 HB VAL 29 2.950 0.573 -0.207
176 1HG1 VAL 29 1HG1 VAL 29 5.067 -0.140 -1.776
177 2HG1 VAL 29 2HG1 VAL 29 4.023 -1.274 -0.918
178 3HG1 VAL 29 3HG1 VAL 29 5.559 -0.777 -0.207
179 1HG2 VAL 29 1HG2 VAL 29 4.842 1.668 1.617
180 2HG2 VAL 29 2HG2 VAL 29 5.041 -0.084 1.593
181 3HG2 VAL 29 3HG2 VAL 29 3.464 0.618 1.951