Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
11437 | 1rij RC | 6088 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H ALA 1 H ALA 1 6.933 -7.822 -2.821
2 HA ALA 1 HA ALA 1 5.630 -7.930 -4.807
3 1HB ALA 1 1HB ALA 1 4.217 -10.090 -3.295
4 2HB ALA 1 2HB ALA 1 4.875 -10.134 -4.930
5 3HB ALA 1 3HB ALA 1 3.421 -9.196 -4.589
6 H LEU 2 H LEU 2 3.615 -8.517 -1.988
7 HA LEU 2 HA LEU 2 2.279 -6.000 -2.274
8 1HB LEU 2 1HB LEU 2 0.919 -6.666 -0.440
9 2HB LEU 2 2HB LEU 2 1.182 -8.079 -1.443
10 HG LEU 2 HG LEU 2 3.214 -8.278 0.409
11 1HD1 LEU 2 1HD1 LEU 2 1.677 -8.121 2.549
12 2HD1 LEU 2 2HD1 LEU 2 0.895 -6.855 1.602
13 3HD1 LEU 2 3HD1 LEU 2 2.613 -6.739 1.980
14 1HD2 LEU 2 1HD2 LEU 2 2.013 -10.160 1.236
15 2HD2 LEU 2 2HD2 LEU 2 1.658 -10.027 -0.487
16 3HD2 LEU 2 3HD2 LEU 2 0.473 -9.489 0.703
17 H GLN 3 H GLN 3 4.914 -7.210 -0.313
18 HA GLN 3 HA GLN 3 4.926 -5.243 1.695
19 1HB GLN 3 1HB GLN 3 6.278 -7.455 1.496
20 2HB GLN 3 2HB GLN 3 7.451 -6.474 0.629
21 1HG GLN 3 1HG GLN 3 6.460 -5.634 3.322
22 2HG GLN 3 2HG GLN 3 7.733 -6.844 3.166
23 1HE2 GLN 3 1HE2 GLN 3 9.559 -6.165 1.666
24 2HE2 GLN 3 2HE2 GLN 3 10.116 -4.535 1.828
25 H GLU 4 H GLU 4 6.587 -5.372 -1.452
26 HA GLU 4 HA GLU 4 7.972 -2.931 -1.193
27 1HB GLU 4 1HB GLU 4 7.134 -4.595 -3.552
28 2HB GLU 4 2HB GLU 4 7.916 -3.039 -3.785
29 1HG GLU 4 1HG GLU 4 9.111 -5.225 -2.109
30 2HG GLU 4 2HG GLU 4 9.409 -5.068 -3.839
31 H LEU 5 H LEU 5 4.785 -3.710 -2.544
32 HA LEU 5 HA LEU 5 4.213 -1.064 -3.428
33 1HB LEU 5 1HB LEU 5 3.134 -3.298 -4.146
34 2HB LEU 5 2HB LEU 5 2.125 -3.107 -2.725
35 HG LEU 5 HG LEU 5 2.298 -0.906 -4.755
36 1HD1 LEU 5 1HD1 LEU 5 1.776 -2.921 -6.020
37 2HD1 LEU 5 2HD1 LEU 5 0.372 -1.859 -5.910
38 3HD1 LEU 5 3HD1 LEU 5 0.470 -3.299 -4.896
39 1HD2 LEU 5 1HD2 LEU 5 -0.283 -1.227 -3.722
40 2HD2 LEU 5 2HD2 LEU 5 0.888 0.027 -3.315
41 3HD2 LEU 5 3HD2 LEU 5 0.810 -1.450 -2.355
42 H LEU 6 H LEU 6 3.850 -2.744 -0.388
43 HA LEU 6 HA LEU 6 1.900 -1.308 0.921
44 1HB LEU 6 1HB LEU 6 3.848 -3.141 1.598
45 2HB LEU 6 2HB LEU 6 4.211 -1.772 2.615
46 HG LEU 6 HG LEU 6 2.754 -3.462 3.703
47 1HD1 LEU 6 1HD1 LEU 6 2.665 -1.303 4.627
48 2HD1 LEU 6 2HD1 LEU 6 0.984 -1.798 4.423
49 3HD1 LEU 6 3HD1 LEU 6 1.719 -0.675 3.278
50 1HD2 LEU 6 1HD2 LEU 6 0.463 -3.728 3.028
51 2HD2 LEU 6 2HD2 LEU 6 1.509 -4.109 1.660
52 3HD2 LEU 6 3HD2 LEU 6 0.669 -2.561 1.723
53 H GLY 7 H GLY 7 5.375 -0.498 0.719
54 1HA GLY 7 1HA GLY 7 5.259 1.836 2.277
55 2HA GLY 7 2HA GLY 7 6.466 1.493 1.056
56 H GLN 8 H GLN 8 4.594 1.277 -1.127
57 HA GLN 8 HA GLN 8 4.372 4.084 -1.779
58 1HB GLN 8 1HB GLN 8 4.845 2.087 -3.386
59 2HB GLN 8 2HB GLN 8 3.101 1.866 -3.370
60 1HG GLN 8 1HG GLN 8 3.623 3.156 -5.278
61 2HG GLN 8 2HG GLN 8 2.878 4.245 -4.110
62 1HE2 GLN 8 1HE2 GLN 8 4.087 5.882 -3.202
63 2HE2 GLN 8 2HE2 GLN 8 5.666 6.307 -3.766
64 H TRP 9 H TRP 9 2.246 1.431 -0.989
65 HA TRP 9 HA TRP 9 -0.255 2.673 -1.261
66 1HB TRP 9 1HB TRP 9 0.103 0.249 -1.105
67 2HB TRP 9 2HB TRP 9 0.682 0.430 0.539
68 HD1 TRP 9 HD1 TRP 9 -2.551 1.588 -1.244
69 HE1 TRP 9 HE1 TRP 9 -4.547 0.923 0.255
70 HE3 TRP 9 HE3 TRP 9 0.021 -0.651 2.524
71 HZ2 TRP 9 HZ2 TRP 9 -4.942 -0.384 2.742
72 HZ3 TRP 9 HZ3 TRP 9 -1.219 -1.573 4.435
73 HH2 TRP 9 HH2 TRP 9 -3.652 -1.429 4.536
74 H LEU 10 H LEU 10 1.990 2.324 1.436
75 HA LEU 10 HA LEU 10 0.361 3.579 3.399
76 1HB LEU 10 1HB LEU 10 2.521 2.074 3.591
77 2HB LEU 10 2HB LEU 10 3.339 3.623 3.587
78 HG LEU 10 HG LEU 10 1.084 3.344 5.486
79 1HD1 LEU 10 1HD1 LEU 10 2.148 1.162 5.700
80 2HD1 LEU 10 2HD1 LEU 10 2.453 2.157 7.123
81 3HD1 LEU 10 3HD1 LEU 10 3.717 1.938 5.913
82 1HD2 LEU 10 1HD2 LEU 10 2.247 5.395 5.526
83 2HD2 LEU 10 2HD2 LEU 10 3.818 4.595 5.492
84 3HD2 LEU 10 3HD2 LEU 10 2.812 4.502 6.937
85 H LYS 11 H LYS 11 2.695 4.783 1.062
86 HA LYS 11 HA LYS 11 3.150 7.334 2.117
87 1HB LYS 11 1HB LYS 11 3.799 5.937 -0.249
88 2HB LYS 11 2HB LYS 11 3.024 7.431 -0.758
89 1HG LYS 11 1HG LYS 11 4.634 8.606 0.834
90 2HG LYS 11 2HG LYS 11 5.514 7.077 0.873
91 1HD LYS 11 1HD LYS 11 6.580 8.265 -0.822
92 2HD LYS 11 2HD LYS 11 5.454 7.228 -1.700
93 1HE LYS 11 1HE LYS 11 4.091 8.974 -2.288
94 2HE LYS 11 2HE LYS 11 4.531 9.934 -0.878
95 1HZ LYS 11 1HZ LYS 11 6.268 9.445 -3.239
96 2HZ LYS 11 2HZ LYS 11 6.675 10.384 -1.891
97 3HZ LYS 11 3HZ LYS 11 5.424 10.877 -2.916
98 H ASP 12 H ASP 12 0.440 6.034 0.321
99 HA ASP 12 HA ASP 12 -0.780 8.683 0.081
100 1HB ASP 12 1HB ASP 12 -0.676 6.869 -1.792
101 2HB ASP 12 2HB ASP 12 -2.026 6.142 -0.928
102 H GLY 13 H GLY 13 -0.493 7.112 2.666
103 1HA GLY 13 1HA GLY 13 -1.812 7.229 4.586
104 2HA GLY 13 2HA GLY 13 -3.212 7.559 3.581
105 H GLY 14 H GLY 14 -1.146 4.830 2.892
106 1HA GLY 14 1HA GLY 14 -1.634 2.599 2.736
107 2HA GLY 14 2HA GLY 14 -2.101 2.801 4.416
108 HA PRO 15 HA PRO 15 -5.958 0.977 2.987
109 1HB PRO 15 1HB PRO 15 -6.687 2.062 5.665
110 2HB PRO 15 2HB PRO 15 -7.039 0.487 4.965
111 1HG PRO 15 1HG PRO 15 -5.119 0.732 6.766
112 2HG PRO 15 2HG PRO 15 -4.859 -0.285 5.334
113 1HD PRO 15 1HD PRO 15 -3.828 2.460 5.916
114 2HD PRO 15 2HD PRO 15 -3.023 1.111 5.098
115 H SER 16 H SER 16 -5.626 4.215 4.374
116 HA SER 16 HA SER 16 -8.196 5.003 3.298
117 1HB SER 16 1HB SER 16 -6.121 6.572 4.848
118 2HB SER 16 2HB SER 16 -7.692 7.204 4.357
119 HG SER 16 HG SER 16 -7.061 5.294 6.301
120 H SER 17 H SER 17 -5.932 4.272 1.475
121 HA SER 17 HA SER 17 -5.317 6.808 0.164
122 1HB SER 17 1HB SER 17 -3.739 5.549 -1.171
123 2HB SER 17 2HB SER 17 -3.524 5.104 0.521
124 HG SER 17 HG SER 17 -4.530 3.182 0.143
125 H GLY 18 H GLY 18 -7.977 5.054 0.137
126 1HA GLY 18 1HA GLY 18 -9.737 5.042 -1.366
127 2HA GLY 18 2HA GLY 18 -8.685 5.794 -2.556
128 H ARG 19 H ARG 19 -7.464 2.962 -1.040
129 HA ARG 19 HA ARG 19 -8.554 1.074 -2.908
130 1HB ARG 19 1HB ARG 19 -6.220 0.494 -3.795
131 2HB ARG 19 2HB ARG 19 -7.002 1.922 -4.458
132 1HG ARG 19 1HG ARG 19 -5.676 3.342 -2.977
133 2HG ARG 19 2HG ARG 19 -4.893 1.911 -2.305
134 1HD ARG 19 1HD ARG 19 -3.351 2.577 -3.880
135 2HD ARG 19 2HD ARG 19 -4.305 1.416 -4.801
136 HE ARG 19 HE ARG 19 -5.545 3.762 -5.312
137 1HH1 ARG 19 1HH1 ARG 19 -2.202 2.746 -5.539
138 2HH1 ARG 19 2HH1 ARG 19 -1.831 3.836 -6.831
139 1HH2 ARG 19 1HH2 ARG 19 -5.052 5.196 -7.012
140 2HH2 ARG 19 2HH2 ARG 19 -3.449 5.228 -7.668
141 HA PRO 20 HA PRO 20 -7.581 -1.588 0.500
142 1HB PRO 20 1HB PRO 20 -7.434 -3.801 -1.442
143 2HB PRO 20 2HB PRO 20 -8.544 -3.566 -0.090
144 1HG PRO 20 1HG PRO 20 -9.358 -3.315 -2.632
145 2HG PRO 20 2HG PRO 20 -10.006 -2.286 -1.341
146 1HD PRO 20 1HD PRO 20 -7.930 -1.654 -3.406
147 2HD PRO 20 2HD PRO 20 -9.266 -0.647 -2.807
148 HA PRO 21 HA PRO 21 -3.241 -2.370 0.760
149 1HB PRO 21 1HB PRO 21 -3.822 -5.105 1.748
150 2HB PRO 21 2HB PRO 21 -2.907 -3.803 2.513
151 1HG PRO 21 1HG PRO 21 -5.353 -4.469 3.364
152 2HG PRO 21 2HG PRO 21 -4.803 -2.786 3.355
153 1HD PRO 21 1HD PRO 21 -6.660 -4.183 1.487
154 2HD PRO 21 2HD PRO 21 -6.709 -2.515 2.089
155 HA PRO 22 HA PRO 22 -2.023 -4.546 -2.902
156 1HB PRO 22 1HB PRO 22 0.574 -5.132 -2.241
157 2HB PRO 22 2HB PRO 22 0.029 -3.553 -2.812
158 1HG PRO 22 1HG PRO 22 0.528 -4.487 -0.014
159 2HG PRO 22 2HG PRO 22 0.946 -2.938 -0.770
160 1HD PRO 22 1HD PRO 22 -1.178 -3.184 0.855
161 2HD PRO 22 2HD PRO 22 -1.207 -2.110 -0.559
162 H SER 23 H SER 23 -1.674 -6.009 0.245
163 HA SER 23 HA SER 23 -0.860 -8.586 -0.518
164 1HB SER 23 1HB SER 23 -1.947 -9.283 1.677
165 2HB SER 23 2HB SER 23 -0.719 -8.024 1.793
166 HG SER 23 HG SER 23 -3.501 -7.836 2.084
Start of MODEL 2
1 H ALA 1 H ALA 1 3.185 -6.267 -6.534
2 HA ALA 1 HA ALA 1 5.474 -7.237 -4.959
3 1HB ALA 1 1HB ALA 1 5.763 -4.800 -4.467
4 2HB ALA 1 2HB ALA 1 4.583 -4.465 -5.735
5 3HB ALA 1 3HB ALA 1 6.107 -5.260 -6.134
6 H LEU 2 H LEU 2 5.054 -7.603 -2.883
7 HA LEU 2 HA LEU 2 2.413 -6.869 -1.840
8 1HB LEU 2 1HB LEU 2 3.650 -9.263 -1.794
9 2HB LEU 2 2HB LEU 2 4.211 -8.616 -0.264
10 HG LEU 2 HG LEU 2 1.287 -8.663 -0.962
11 1HD1 LEU 2 1HD1 LEU 2 2.115 -10.946 -1.192
12 2HD1 LEU 2 2HD1 LEU 2 1.100 -10.775 0.240
13 3HD1 LEU 2 3HD1 LEU 2 2.855 -10.844 0.406
14 1HD2 LEU 2 1HD2 LEU 2 2.907 -8.361 1.545
15 2HD2 LEU 2 2HD2 LEU 2 1.211 -8.843 1.594
16 3HD2 LEU 2 3HD2 LEU 2 1.667 -7.291 0.891
17 H GLN 3 H GLN 3 5.803 -6.993 -0.712
18 HA GLN 3 HA GLN 3 5.265 -5.230 1.495
19 1HB GLN 3 1HB GLN 3 7.850 -6.315 0.367
20 2HB GLN 3 2HB GLN 3 7.750 -5.323 1.815
21 1HG GLN 3 1HG GLN 3 7.346 -7.112 3.040
22 2HG GLN 3 2HG GLN 3 5.913 -7.474 2.080
23 1HE2 GLN 3 1HE2 GLN 3 6.038 -8.989 0.434
24 2HE2 GLN 3 2HE2 GLN 3 7.381 -10.066 0.263
25 H GLU 4 H GLU 4 7.028 -4.953 -1.585
26 HA GLU 4 HA GLU 4 7.906 -2.311 -1.274
27 1HB GLU 4 1HB GLU 4 7.298 -3.929 -3.746
28 2HB GLU 4 2HB GLU 4 7.990 -2.315 -3.812
29 1HG GLU 4 1HG GLU 4 9.955 -3.034 -2.662
30 2HG GLU 4 2HG GLU 4 9.244 -4.613 -2.332
31 H LEU 5 H LEU 5 4.925 -3.588 -2.734
32 HA LEU 5 HA LEU 5 3.899 -1.088 -3.562
33 1HB LEU 5 1HB LEU 5 3.170 -3.595 -4.067
34 2HB LEU 5 2HB LEU 5 2.032 -3.266 -2.775
35 HG LEU 5 HG LEU 5 2.289 -1.598 -5.279
36 1HD1 LEU 5 1HD1 LEU 5 1.458 -4.038 -5.480
37 2HD1 LEU 5 2HD1 LEU 5 0.513 -2.744 -6.218
38 3HD1 LEU 5 3HD1 LEU 5 0.008 -3.436 -4.676
39 1HD2 LEU 5 1HD2 LEU 5 1.180 -0.120 -4.019
40 2HD2 LEU 5 2HD2 LEU 5 0.809 -1.315 -2.776
41 3HD2 LEU 5 3HD2 LEU 5 -0.203 -1.196 -4.217
42 H LEU 6 H LEU 6 3.667 -2.882 -0.534
43 HA LEU 6 HA LEU 6 1.625 -1.468 0.727
44 1HB LEU 6 1HB LEU 6 3.108 -3.516 1.431
45 2HB LEU 6 2HB LEU 6 4.013 -2.303 2.296
46 HG LEU 6 HG LEU 6 2.431 -3.349 3.789
47 1HD1 LEU 6 1HD1 LEU 6 1.415 -1.437 4.709
48 2HD1 LEU 6 2HD1 LEU 6 1.306 -0.640 3.140
49 3HD1 LEU 6 3HD1 LEU 6 2.878 -0.862 3.909
50 1HD2 LEU 6 1HD2 LEU 6 0.828 -4.103 2.087
51 2HD2 LEU 6 2HD2 LEU 6 0.274 -2.441 1.891
52 3HD2 LEU 6 3HD2 LEU 6 0.040 -3.273 3.429
53 H GLY 7 H GLY 7 5.131 -0.814 0.727
54 1HA GLY 7 1HA GLY 7 5.023 1.472 2.373
55 2HA GLY 7 2HA GLY 7 6.293 1.105 1.225
56 H GLN 8 H GLN 8 4.369 0.979 -1.012
57 HA GLN 8 HA GLN 8 4.387 3.800 -1.679
58 1HB GLN 8 1HB GLN 8 4.588 1.548 -3.192
59 2HB GLN 8 2HB GLN 8 2.882 1.913 -3.401
60 1HG GLN 8 1HG GLN 8 4.004 2.953 -5.185
61 2HG GLN 8 2HG GLN 8 3.577 4.240 -4.058
62 1HE2 GLN 8 1HE2 GLN 8 5.186 5.325 -2.956
63 2HE2 GLN 8 2HE2 GLN 8 6.862 5.163 -3.350
64 H TRP 9 H TRP 9 2.097 1.298 -0.879
65 HA TRP 9 HA TRP 9 -0.309 2.731 -1.203
66 1HB TRP 9 1HB TRP 9 -0.119 0.270 -1.094
67 2HB TRP 9 2HB TRP 9 0.366 0.390 0.588
68 HD1 TRP 9 HD1 TRP 9 -2.630 1.932 -1.318
69 HE1 TRP 9 HE1 TRP 9 -4.768 1.387 0.022
70 HE3 TRP 9 HE3 TRP 9 -0.529 -0.793 2.424
71 HZ2 TRP 9 HZ2 TRP 9 -5.443 -0.018 2.390
72 HZ3 TRP 9 HZ3 TRP 9 -1.972 -1.698 4.200
73 HH2 TRP 9 HH2 TRP 9 -4.379 -1.307 4.175
74 H LEU 10 H LEU 10 1.863 2.151 1.515
75 HA LEU 10 HA LEU 10 0.298 3.470 3.486
76 1HB LEU 10 1HB LEU 10 2.438 1.856 3.602
77 2HB LEU 10 2HB LEU 10 3.248 3.399 3.780
78 HG LEU 10 HG LEU 10 1.608 3.870 5.681
79 1HD1 LEU 10 1HD1 LEU 10 1.204 0.892 5.434
80 2HD1 LEU 10 2HD1 LEU 10 -0.015 2.135 5.153
81 3HD1 LEU 10 3HD1 LEU 10 0.650 1.901 6.769
82 1HD2 LEU 10 1HD2 LEU 10 2.962 2.627 7.285
83 2HD2 LEU 10 2HD2 LEU 10 3.968 3.342 6.025
84 3HD2 LEU 10 3HD2 LEU 10 3.593 1.619 5.983
85 H LYS 11 H LYS 11 2.679 4.564 1.161
86 HA LYS 11 HA LYS 11 3.311 7.065 2.258
87 1HB LYS 11 1HB LYS 11 4.528 6.035 0.372
88 2HB LYS 11 2HB LYS 11 3.126 6.278 -0.659
89 1HG LYS 11 1HG LYS 11 3.454 8.790 0.080
90 2HG LYS 11 2HG LYS 11 5.109 8.243 0.347
91 1HD LYS 11 1HD LYS 11 5.023 9.065 -1.876
92 2HD LYS 11 2HD LYS 11 5.051 7.305 -1.995
93 1HE LYS 11 1HE LYS 11 2.344 8.303 -1.811
94 2HE LYS 11 2HE LYS 11 3.207 9.046 -3.157
95 1HZ LYS 11 1HZ LYS 11 3.751 6.860 -3.994
96 2HZ LYS 11 2HZ LYS 11 2.076 6.995 -3.800
97 3HZ LYS 11 3HZ LYS 11 2.987 6.121 -2.676
98 H ASP 12 H ASP 12 0.549 5.952 0.406
99 HA ASP 12 HA ASP 12 -0.555 8.657 0.262
100 1HB ASP 12 1HB ASP 12 -0.526 6.839 -1.652
101 2HB ASP 12 2HB ASP 12 -1.962 6.247 -0.827
102 H GLY 13 H GLY 13 -0.329 7.308 2.838
103 1HA GLY 13 1HA GLY 13 -1.609 7.214 4.747
104 2HA GLY 13 2HA GLY 13 -2.981 7.760 3.798
105 H GLY 14 H GLY 14 -1.110 4.878 3.044
106 1HA GLY 14 1HA GLY 14 -1.783 2.712 2.733
107 2HA GLY 14 2HA GLY 14 -2.371 2.881 4.378
108 HA PRO 15 HA PRO 15 -6.234 1.507 2.516
109 1HB PRO 15 1HB PRO 15 -7.115 2.437 5.206
110 2HB PRO 15 2HB PRO 15 -7.490 0.940 4.363
111 1HG PRO 15 1HG PRO 15 -5.729 0.958 6.343
112 2HG PRO 15 2HG PRO 15 -5.427 -0.008 4.888
113 1HD PRO 15 1HD PRO 15 -4.231 2.604 5.705
114 2HD PRO 15 2HD PRO 15 -3.478 1.240 4.865
115 H SER 16 H SER 16 -5.897 4.528 4.359
116 HA SER 16 HA SER 16 -8.270 5.731 3.558
117 1HB SER 16 1HB SER 16 -5.645 7.098 4.203
118 2HB SER 16 2HB SER 16 -7.235 7.863 4.203
119 HG SER 16 HG SER 16 -6.420 7.126 6.299
120 H SER 17 H SER 17 -5.321 5.263 1.783
121 HA SER 17 HA SER 17 -5.303 7.276 -0.081
122 1HB SER 17 1HB SER 17 -4.099 5.797 -1.536
123 2HB SER 17 2HB SER 17 -3.652 5.377 0.116
124 HG SER 17 HG SER 17 -5.043 3.610 0.001
125 H GLY 18 H GLY 18 -7.308 4.351 -0.098
126 1HA GLY 18 1HA GLY 18 -9.627 5.000 -1.041
127 2HA GLY 18 2HA GLY 18 -8.701 5.328 -2.499
128 H ARG 19 H ARG 19 -6.861 3.138 -2.178
129 HA ARG 19 HA ARG 19 -8.644 0.942 -2.959
130 1HB ARG 19 1HB ARG 19 -6.670 -0.009 -4.087
131 2HB ARG 19 2HB ARG 19 -7.033 1.614 -4.659
132 1HG ARG 19 1HG ARG 19 -5.257 2.495 -3.188
133 2HG ARG 19 2HG ARG 19 -4.866 0.841 -2.715
134 1HD ARG 19 1HD ARG 19 -3.326 1.298 -4.394
135 2HD ARG 19 2HD ARG 19 -4.594 0.411 -5.237
136 HE ARG 19 HE ARG 19 -5.277 3.051 -5.510
137 1HH1 ARG 19 1HH1 ARG 19 -2.467 1.126 -6.321
138 2HH1 ARG 19 2HH1 ARG 19 -2.042 2.101 -7.686
139 1HH2 ARG 19 1HH2 ARG 19 -4.714 4.330 -7.309
140 2HH2 ARG 19 2HH2 ARG 19 -3.318 3.920 -8.248
141 HA PRO 20 HA PRO 20 -7.574 -1.511 0.555
142 1HB PRO 20 1HB PRO 20 -7.463 -3.917 -1.118
143 2HB PRO 20 2HB PRO 20 -8.629 -3.478 0.132
144 1HG PRO 20 1HG PRO 20 -9.280 -3.522 -2.483
145 2HG PRO 20 2HG PRO 20 -9.996 -2.364 -1.347
146 1HD PRO 20 1HD PRO 20 -7.785 -1.953 -3.329
147 2HD PRO 20 2HD PRO 20 -9.154 -0.891 -2.932
148 HA PRO 21 HA PRO 21 -3.274 -2.493 0.823
149 1HB PRO 21 1HB PRO 21 -3.219 -4.950 2.048
150 2HB PRO 21 2HB PRO 21 -3.519 -3.429 2.895
151 1HG PRO 21 1HG PRO 21 -5.474 -5.469 1.912
152 2HG PRO 21 2HG PRO 21 -5.459 -4.579 3.447
153 1HD PRO 21 1HD PRO 21 -7.078 -3.873 1.424
154 2HD PRO 21 2HD PRO 21 -6.334 -2.660 2.489
155 HA PRO 22 HA PRO 22 -2.144 -5.019 -2.644
156 1HB PRO 22 1HB PRO 22 0.565 -5.268 -1.585
157 2HB PRO 22 2HB PRO 22 -0.007 -4.338 -2.970
158 1HG PRO 22 1HG PRO 22 0.876 -3.178 -0.685
159 2HG PRO 22 2HG PRO 22 -0.362 -2.447 -1.722
160 1HD PRO 22 1HD PRO 22 -0.694 -3.986 0.828
161 2HD PRO 22 2HD PRO 22 -1.522 -2.510 0.286
162 H SER 23 H SER 23 -3.507 -6.750 -1.552
163 HA SER 23 HA SER 23 -3.847 -8.931 -1.045
164 1HB SER 23 1HB SER 23 -0.945 -9.237 -1.865
165 2HB SER 23 2HB SER 23 -2.082 -10.564 -1.631
166 HG SER 23 HG SER 23 -1.933 -8.681 -3.684
Start of MODEL 3
1 H ALA 1 H ALA 1 4.443 -6.775 -5.820
2 HA ALA 1 HA ALA 1 5.144 -8.444 -4.275
3 1HB ALA 1 1HB ALA 1 7.572 -7.722 -4.406
4 2HB ALA 1 2HB ALA 1 6.962 -8.154 -2.809
5 3HB ALA 1 3HB ALA 1 7.152 -6.458 -3.250
6 H LEU 2 H LEU 2 4.307 -8.430 -2.138
7 HA LEU 2 HA LEU 2 2.337 -6.452 -1.666
8 1HB LEU 2 1HB LEU 2 2.179 -8.832 -0.953
9 2HB LEU 2 2HB LEU 2 3.402 -8.518 0.262
10 HG LEU 2 HG LEU 2 1.035 -6.750 0.350
11 1HD1 LEU 2 1HD1 LEU 2 0.811 -9.600 1.290
12 2HD1 LEU 2 2HD1 LEU 2 0.099 -9.005 -0.209
13 3HD1 LEU 2 3HD1 LEU 2 -0.427 -8.344 1.339
14 1HD2 LEU 2 1HD2 LEU 2 2.577 -8.290 2.435
15 2HD2 LEU 2 2HD2 LEU 2 1.315 -7.101 2.754
16 3HD2 LEU 2 3HD2 LEU 2 2.827 -6.601 1.996
17 H GLN 3 H GLN 3 5.449 -7.143 -0.086
18 HA GLN 3 HA GLN 3 5.264 -5.111 1.869
19 1HB GLN 3 1HB GLN 3 6.816 -7.068 1.958
20 2HB GLN 3 2HB GLN 3 7.778 -6.311 0.697
21 1HG GLN 3 1HG GLN 3 8.128 -4.371 2.202
22 2HG GLN 3 2HG GLN 3 7.282 -5.256 3.471
23 1HE2 GLN 3 1HE2 GLN 3 10.087 -5.337 1.335
24 2HE2 GLN 3 2HE2 GLN 3 11.071 -6.315 2.369
25 H GLU 4 H GLU 4 6.831 -5.185 -1.326
26 HA GLU 4 HA GLU 4 7.947 -2.601 -1.203
27 1HB GLU 4 1HB GLU 4 7.319 -4.521 -3.406
28 2HB GLU 4 2HB GLU 4 7.748 -2.867 -3.822
29 1HG GLU 4 1HG GLU 4 9.691 -4.317 -3.893
30 2HG GLU 4 2HG GLU 4 9.859 -3.099 -2.630
31 H LEU 5 H LEU 5 4.867 -3.753 -2.570
32 HA LEU 5 HA LEU 5 4.015 -1.222 -3.511
33 1HB LEU 5 1HB LEU 5 3.138 -3.551 -4.135
34 2HB LEU 5 2HB LEU 5 2.168 -3.444 -2.679
35 HG LEU 5 HG LEU 5 2.018 -1.272 -4.740
36 1HD1 LEU 5 1HD1 LEU 5 0.429 -3.833 -4.800
37 2HD1 LEU 5 2HD1 LEU 5 1.705 -3.396 -5.936
38 3HD1 LEU 5 3HD1 LEU 5 0.224 -2.443 -5.864
39 1HD2 LEU 5 1HD2 LEU 5 0.478 -0.493 -3.348
40 2HD2 LEU 5 2HD2 LEU 5 0.742 -1.863 -2.269
41 3HD2 LEU 5 3HD2 LEU 5 -0.462 -1.971 -3.554
42 H LEU 6 H LEU 6 3.762 -2.828 -0.400
43 HA LEU 6 HA LEU 6 1.739 -1.340 0.803
44 1HB LEU 6 1HB LEU 6 3.419 -3.305 1.583
45 2HB LEU 6 2HB LEU 6 4.049 -1.969 2.510
46 HG LEU 6 HG LEU 6 2.449 -3.260 3.818
47 1HD1 LEU 6 1HD1 LEU 6 2.621 -0.877 4.258
48 2HD1 LEU 6 2HD1 LEU 6 0.968 -1.438 4.502
49 3HD1 LEU 6 3HD1 LEU 6 1.389 -0.548 3.040
50 1HD2 LEU 6 1HD2 LEU 6 0.105 -3.380 3.210
51 2HD2 LEU 6 2HD2 LEU 6 1.103 -4.115 1.954
52 3HD2 LEU 6 3HD2 LEU 6 0.427 -2.503 1.714
53 H GLY 7 H GLY 7 5.241 -0.670 0.675
54 1HA GLY 7 1HA GLY 7 5.183 1.680 2.221
55 2HA GLY 7 2HA GLY 7 6.400 1.281 1.027
56 H GLN 8 H GLN 8 4.431 1.071 -1.136
57 HA GLN 8 HA GLN 8 4.357 3.877 -1.868
58 1HB GLN 8 1HB GLN 8 3.847 1.286 -3.226
59 2HB GLN 8 2HB GLN 8 2.933 2.660 -3.829
60 1HG GLN 8 1HG GLN 8 4.954 2.380 -5.108
61 2HG GLN 8 2HG GLN 8 5.024 3.883 -4.190
62 1HE2 GLN 8 1HE2 GLN 8 6.535 4.118 -2.575
63 2HE2 GLN 8 2HE2 GLN 8 7.815 2.985 -2.311
64 H TRP 9 H TRP 9 2.147 1.329 -0.979
65 HA TRP 9 HA TRP 9 -0.306 2.685 -1.289
66 1HB TRP 9 1HB TRP 9 -0.019 0.229 -1.099
67 2HB TRP 9 2HB TRP 9 0.461 0.431 0.577
68 HD1 TRP 9 HD1 TRP 9 -2.585 1.826 -1.365
69 HE1 TRP 9 HE1 TRP 9 -4.702 1.250 -0.004
70 HE3 TRP 9 HE3 TRP 9 -0.394 -0.751 2.429
71 HZ2 TRP 9 HZ2 TRP 9 -5.329 -0.120 2.395
72 HZ3 TRP 9 HZ3 TRP 9 -1.804 -1.655 4.230
73 HH2 TRP 9 HH2 TRP 9 -4.223 -1.336 4.207
74 H LEU 10 H LEU 10 1.965 2.295 1.370
75 HA LEU 10 HA LEU 10 0.397 3.622 3.343
76 1HB LEU 10 1HB LEU 10 2.474 2.028 3.558
77 2HB LEU 10 2HB LEU 10 3.381 3.526 3.478
78 HG LEU 10 HG LEU 10 1.723 4.253 5.403
79 1HD1 LEU 10 1HD1 LEU 10 0.384 2.195 5.275
80 2HD1 LEU 10 2HD1 LEU 10 1.124 2.414 6.860
81 3HD1 LEU 10 3HD1 LEU 10 1.808 1.255 5.719
82 1HD2 LEU 10 1HD2 LEU 10 4.133 4.170 5.623
83 2HD2 LEU 10 2HD2 LEU 10 4.082 2.415 5.796
84 3HD2 LEU 10 3HD2 LEU 10 3.374 3.445 7.040
85 H LYS 11 H LYS 11 2.817 4.686 1.015
86 HA LYS 11 HA LYS 11 3.403 7.221 1.983
87 1HB LYS 11 1HB LYS 11 4.159 5.833 -0.195
88 2HB LYS 11 2HB LYS 11 3.033 6.950 -0.953
89 1HG LYS 11 1HG LYS 11 4.287 8.833 -0.237
90 2HG LYS 11 2HG LYS 11 5.291 7.840 0.821
91 1HD LYS 11 1HD LYS 11 6.433 6.872 -0.976
92 2HD LYS 11 2HD LYS 11 5.193 7.351 -2.138
93 1HE LYS 11 1HE LYS 11 5.932 9.773 -1.265
94 2HE LYS 11 2HE LYS 11 7.443 8.903 -1.003
95 1HZ LYS 11 1HZ LYS 11 7.397 8.217 -3.330
96 2HZ LYS 11 2HZ LYS 11 7.390 9.903 -3.191
97 3HZ LYS 11 3HZ LYS 11 5.962 9.081 -3.573
98 H ASP 12 H ASP 12 0.695 6.167 -0.054
99 HA ASP 12 HA ASP 12 -0.441 8.778 -0.317
100 1HB ASP 12 1HB ASP 12 -0.778 6.744 -1.858
101 2HB ASP 12 2HB ASP 12 -1.944 6.184 -0.667
102 H GLY 13 H GLY 13 -0.970 6.017 1.823
103 1HA GLY 13 1HA GLY 13 -1.596 6.992 4.146
104 2HA GLY 13 2HA GLY 13 -3.034 7.517 3.285
105 H GLY 14 H GLY 14 -1.253 4.456 3.001
106 1HA GLY 14 1HA GLY 14 -2.029 2.301 2.978
107 2HA GLY 14 2HA GLY 14 -2.585 2.747 4.581
108 HA PRO 15 HA PRO 15 -6.440 1.142 2.806
109 1HB PRO 15 1HB PRO 15 -7.248 2.090 5.511
110 2HB PRO 15 2HB PRO 15 -7.624 0.575 4.700
111 1HG PRO 15 1HG PRO 15 -5.796 0.657 6.624
112 2HG PRO 15 2HG PRO 15 -5.529 -0.333 5.176
113 1HD PRO 15 1HD PRO 15 -4.334 2.307 5.908
114 2HD PRO 15 2HD PRO 15 -3.604 0.938 5.053
115 H SER 16 H SER 16 -6.131 4.165 4.657
116 HA SER 16 HA SER 16 -8.537 5.304 3.739
117 1HB SER 16 1HB SER 16 -7.090 5.988 5.761
118 2HB SER 16 2HB SER 16 -6.157 6.935 4.603
119 HG SER 16 HG SER 16 -7.761 8.309 4.417
120 H SER 17 H SER 17 -5.400 5.056 2.269
121 HA SER 17 HA SER 17 -5.172 7.200 0.606
122 1HB SER 17 1HB SER 17 -3.852 5.853 -0.847
123 2HB SER 17 2HB SER 17 -3.631 5.185 0.768
124 HG SER 17 HG SER 17 -4.150 3.734 -1.150
125 H GLY 18 H GLY 18 -7.246 4.366 0.075
126 1HA GLY 18 1HA GLY 18 -9.426 5.352 -1.032
127 2HA GLY 18 2HA GLY 18 -8.313 5.556 -2.377
128 H ARG 19 H ARG 19 -6.800 3.194 -2.013
129 HA ARG 19 HA ARG 19 -8.809 1.156 -2.712
130 1HB ARG 19 1HB ARG 19 -7.060 0.120 -4.106
131 2HB ARG 19 2HB ARG 19 -7.421 1.763 -4.613
132 1HG ARG 19 1HG ARG 19 -5.348 2.489 -4.172
133 2HG ARG 19 2HG ARG 19 -5.228 1.551 -2.682
134 1HD ARG 19 1HD ARG 19 -3.597 0.794 -4.333
135 2HD ARG 19 2HD ARG 19 -4.776 -0.466 -3.977
136 HE ARG 19 HE ARG 19 -5.502 -0.365 -6.146
137 1HH1 ARG 19 1HH1 ARG 19 -3.526 2.456 -5.501
138 2HH1 ARG 19 2HH1 ARG 19 -3.488 2.959 -7.156
139 1HH2 ARG 19 1HH2 ARG 19 -5.448 0.305 -8.324
140 2HH2 ARG 19 2HH2 ARG 19 -4.580 1.739 -8.759
141 HA PRO 20 HA PRO 20 -7.406 -1.487 0.530
142 1HB PRO 20 1HB PRO 20 -7.375 -3.805 -1.277
143 2HB PRO 20 2HB PRO 20 -8.429 -3.473 0.100
144 1HG PRO 20 1HG PRO 20 -9.331 -3.392 -2.433
145 2HG PRO 20 2HG PRO 20 -9.955 -2.309 -1.175
146 1HD PRO 20 1HD PRO 20 -7.959 -1.749 -3.339
147 2HD PRO 20 2HD PRO 20 -9.298 -0.739 -2.752
148 HA PRO 21 HA PRO 21 -3.069 -2.308 0.435
149 1HB PRO 21 1HB PRO 21 -2.872 -4.821 1.552
150 2HB PRO 21 2HB PRO 21 -3.078 -3.329 2.471
151 1HG PRO 21 1HG PRO 21 -5.120 -5.353 1.657
152 2HG PRO 21 2HG PRO 21 -4.961 -4.473 3.189
153 1HD PRO 21 1HD PRO 21 -6.774 -3.770 1.336
154 2HD PRO 21 2HD PRO 21 -5.944 -2.558 2.337
155 HA PRO 22 HA PRO 22 -1.792 -4.535 -3.144
156 1HB PRO 22 1HB PRO 22 0.547 -5.720 -2.237
157 2HB PRO 22 2HB PRO 22 0.407 -4.061 -2.822
158 1HG PRO 22 1HG PRO 22 0.420 -5.087 -0.018
159 2HG PRO 22 2HG PRO 22 1.182 -3.631 -0.685
160 1HD PRO 22 1HD PRO 22 -1.090 -3.488 0.722
161 2HD PRO 22 2HD PRO 22 -0.811 -2.441 -0.682
162 H SER 23 H SER 23 -3.526 -6.022 -3.114
163 HA SER 23 HA SER 23 -2.670 -8.761 -2.753
164 1HB SER 23 1HB SER 23 -3.763 -7.868 -0.556
165 2HB SER 23 2HB SER 23 -5.275 -8.029 -1.449
166 HG SER 23 HG SER 23 -5.071 -10.162 -1.451
Start of MODEL 4
1 H ALA 1 H ALA 1 3.995 -8.990 -5.125
2 HA ALA 1 HA ALA 1 5.833 -8.556 -3.692
3 1HB ALA 1 1HB ALA 1 5.991 -5.904 -5.122
4 2HB ALA 1 2HB ALA 1 7.153 -7.222 -5.269
5 3HB ALA 1 3HB ALA 1 6.948 -6.395 -3.725
6 H LEU 2 H LEU 2 4.911 -8.251 -1.777
7 HA LEU 2 HA LEU 2 2.528 -6.569 -1.593
8 1HB LEU 2 1HB LEU 2 3.306 -9.031 -0.445
9 2HB LEU 2 2HB LEU 2 3.196 -7.880 0.872
10 HG LEU 2 HG LEU 2 0.875 -7.349 -0.418
11 1HD1 LEU 2 1HD1 LEU 2 -0.168 -9.446 -1.061
12 2HD1 LEU 2 2HD1 LEU 2 1.339 -10.309 -0.754
13 3HD1 LEU 2 3HD1 LEU 2 1.248 -9.127 -2.061
14 1HD2 LEU 2 1HD2 LEU 2 1.339 -9.486 1.659
15 2HD2 LEU 2 2HD2 LEU 2 -0.207 -8.711 1.307
16 3HD2 LEU 2 3HD2 LEU 2 1.127 -7.762 1.965
17 H GLN 3 H GLN 3 5.633 -7.030 0.096
18 HA GLN 3 HA GLN 3 5.339 -4.893 1.905
19 1HB GLN 3 1HB GLN 3 7.122 -6.880 1.688
20 2HB GLN 3 2HB GLN 3 8.068 -5.596 0.949
21 1HG GLN 3 1HG GLN 3 6.762 -5.295 3.636
22 2HG GLN 3 2HG GLN 3 8.377 -5.970 3.431
23 1HE2 GLN 3 1HE2 GLN 3 6.562 -3.156 3.787
24 2HE2 GLN 3 2HE2 GLN 3 7.808 -2.007 3.436
25 H GLU 4 H GLU 4 6.941 -5.055 -1.272
26 HA GLU 4 HA GLU 4 7.912 -2.425 -1.325
27 1HB GLU 4 1HB GLU 4 7.134 -4.314 -3.545
28 2HB GLU 4 2HB GLU 4 7.854 -2.739 -3.847
29 1HG GLU 4 1HG GLU 4 9.839 -3.384 -2.607
30 2HG GLU 4 2HG GLU 4 9.116 -4.947 -2.235
31 H LEU 5 H LEU 5 4.831 -3.773 -2.481
32 HA LEU 5 HA LEU 5 3.822 -1.327 -3.509
33 1HB LEU 5 1HB LEU 5 3.016 -3.984 -3.501
34 2HB LEU 5 2HB LEU 5 1.755 -3.131 -2.630
35 HG LEU 5 HG LEU 5 1.388 -3.358 -5.093
36 1HD1 LEU 5 1HD1 LEU 5 0.214 -1.686 -3.767
37 2HD1 LEU 5 2HD1 LEU 5 0.568 -1.086 -5.387
38 3HD1 LEU 5 3HD1 LEU 5 1.544 -0.556 -4.018
39 1HD2 LEU 5 1HD2 LEU 5 2.638 -2.163 -6.658
40 2HD2 LEU 5 2HD2 LEU 5 3.848 -2.891 -5.601
41 3HD2 LEU 5 3HD2 LEU 5 3.422 -1.189 -5.415
42 H LEU 6 H LEU 6 3.770 -2.817 -0.339
43 HA LEU 6 HA LEU 6 1.724 -1.320 0.868
44 1HB LEU 6 1HB LEU 6 3.725 -3.161 1.649
45 2HB LEU 6 2HB LEU 6 3.799 -1.813 2.753
46 HG LEU 6 HG LEU 6 2.347 -3.762 3.457
47 1HD1 LEU 6 1HD1 LEU 6 0.418 -2.185 4.104
48 2HD1 LEU 6 2HD1 LEU 6 1.379 -0.934 3.315
49 3HD1 LEU 6 3HD1 LEU 6 2.042 -1.822 4.687
50 1HD2 LEU 6 1HD2 LEU 6 1.366 -4.056 1.148
51 2HD2 LEU 6 2HD2 LEU 6 0.380 -2.634 1.484
52 3HD2 LEU 6 3HD2 LEU 6 0.218 -4.076 2.486
53 H GLY 7 H GLY 7 5.218 -0.687 0.593
54 1HA GLY 7 1HA GLY 7 5.258 1.659 2.160
55 2HA GLY 7 2HA GLY 7 6.430 1.236 0.926
56 H GLN 8 H GLN 8 4.573 1.096 -1.246
57 HA GLN 8 HA GLN 8 4.455 3.896 -1.934
58 1HB GLN 8 1HB GLN 8 4.930 2.206 -3.653
59 2HB GLN 8 2HB GLN 8 3.364 1.459 -3.370
60 1HG GLN 8 1HG GLN 8 3.322 2.798 -5.382
61 2HG GLN 8 2HG GLN 8 2.250 3.481 -4.162
62 1HE2 GLN 8 1HE2 GLN 8 2.542 5.541 -3.528
63 2HE2 GLN 8 2HE2 GLN 8 3.838 6.558 -4.057
64 H TRP 9 H TRP 9 2.224 1.352 -1.081
65 HA TRP 9 HA TRP 9 -0.224 2.706 -1.357
66 1HB TRP 9 1HB TRP 9 0.091 0.255 -1.155
67 2HB TRP 9 2HB TRP 9 0.563 0.472 0.520
68 HD1 TRP 9 HD1 TRP 9 -2.500 1.872 -1.396
69 HE1 TRP 9 HE1 TRP 9 -4.607 1.234 -0.051
70 HE3 TRP 9 HE3 TRP 9 -0.269 -0.793 2.311
71 HZ2 TRP 9 HZ2 TRP 9 -5.214 -0.214 2.314
72 HZ3 TRP 9 HZ3 TRP 9 -1.663 -1.766 4.088
73 HH2 TRP 9 HH2 TRP 9 -4.085 -1.472 4.084
74 H LEU 10 H LEU 10 2.069 2.364 1.285
75 HA LEU 10 HA LEU 10 0.517 3.657 3.280
76 1HB LEU 10 1HB LEU 10 2.449 2.132 3.703
77 2HB LEU 10 2HB LEU 10 3.520 3.403 3.146
78 HG LEU 10 HG LEU 10 2.585 4.851 5.005
79 1HD1 LEU 10 1HD1 LEU 10 0.549 3.632 5.459
80 2HD1 LEU 10 2HD1 LEU 10 1.569 3.642 6.898
81 3HD1 LEU 10 3HD1 LEU 10 1.472 2.194 5.896
82 1HD2 LEU 10 1HD2 LEU 10 4.036 2.329 5.800
83 2HD2 LEU 10 2HD2 LEU 10 4.014 3.850 6.694
84 3HD2 LEU 10 3HD2 LEU 10 4.783 3.769 5.109
85 H LYS 11 H LYS 11 2.866 4.810 0.907
86 HA LYS 11 HA LYS 11 3.368 7.365 1.853
87 1HB LYS 11 1HB LYS 11 4.274 6.116 -0.248
88 2HB LYS 11 2HB LYS 11 2.924 6.878 -1.078
89 1HG LYS 11 1HG LYS 11 3.766 9.082 -0.320
90 2HG LYS 11 2HG LYS 11 5.173 8.265 0.365
91 1HD LYS 11 1HD LYS 11 4.452 7.833 -2.505
92 2HD LYS 11 2HD LYS 11 5.299 9.305 -2.026
93 1HE LYS 11 1HE LYS 11 7.164 8.093 -2.287
94 2HE LYS 11 2HE LYS 11 6.739 7.377 -0.734
95 1HZ LYS 11 1HZ LYS 11 6.180 6.291 -3.436
96 2HZ LYS 11 2HZ LYS 11 5.481 5.666 -2.026
97 3HZ LYS 11 3HZ LYS 11 7.159 5.616 -2.232
98 H ASP 12 H ASP 12 0.641 6.206 -0.091
99 HA ASP 12 HA ASP 12 -0.602 8.776 -0.306
100 1HB ASP 12 1HB ASP 12 -0.888 6.738 -1.857
101 2HB ASP 12 2HB ASP 12 -2.008 6.129 -0.648
102 H GLY 13 H GLY 13 -0.976 5.957 1.794
103 1HA GLY 13 1HA GLY 13 -1.560 6.844 4.154
104 2HA GLY 13 2HA GLY 13 -3.030 7.373 3.353
105 H GLY 14 H GLY 14 -1.214 4.351 2.919
106 1HA GLY 14 1HA GLY 14 -1.970 2.190 2.841
107 2HA GLY 14 2HA GLY 14 -2.462 2.571 4.481
108 HA PRO 15 HA PRO 15 -6.375 0.979 2.846
109 1HB PRO 15 1HB PRO 15 -7.087 1.882 5.593
110 2HB PRO 15 2HB PRO 15 -7.484 0.376 4.774
111 1HG PRO 15 1HG PRO 15 -5.583 0.433 6.621
112 2HG PRO 15 2HG PRO 15 -5.358 -0.516 5.138
113 1HD PRO 15 1HD PRO 15 -4.182 2.130 5.885
114 2HD PRO 15 2HD PRO 15 -3.453 0.789 4.989
115 H SER 16 H SER 16 -6.050 3.997 4.719
116 HA SER 16 HA SER 16 -8.510 5.071 3.793
117 1HB SER 16 1HB SER 16 -7.953 7.042 4.993
118 2HB SER 16 2HB SER 16 -7.282 5.708 5.931
119 HG SER 16 HG SER 16 -5.996 7.726 4.534
120 H SER 17 H SER 17 -5.435 4.830 2.317
121 HA SER 17 HA SER 17 -5.172 7.137 0.818
122 1HB SER 17 1HB SER 17 -3.763 5.908 -0.640
123 2HB SER 17 2HB SER 17 -3.590 5.135 0.934
124 HG SER 17 HG SER 17 -4.926 3.485 0.243
125 H GLY 18 H GLY 18 -7.266 4.357 0.236
126 1HA GLY 18 1HA GLY 18 -9.414 5.172 -0.908
127 2HA GLY 18 2HA GLY 18 -8.314 5.653 -2.194
128 H ARG 19 H ARG 19 -6.551 3.430 -2.014
129 HA ARG 19 HA ARG 19 -8.222 1.399 -3.296
130 1HB ARG 19 1HB ARG 19 -6.191 0.566 -4.289
131 2HB ARG 19 2HB ARG 19 -6.233 2.310 -4.497
132 1HG ARG 19 1HG ARG 19 -4.638 2.622 -2.736
133 2HG ARG 19 2HG ARG 19 -4.696 0.909 -2.319
134 1HD ARG 19 1HD ARG 19 -3.787 1.970 -4.989
135 2HD ARG 19 2HD ARG 19 -2.699 1.593 -3.657
136 HE ARG 19 HE ARG 19 -3.141 -0.689 -3.955
137 1HH1 ARG 19 1HH1 ARG 19 -4.903 1.265 -6.274
138 2HH1 ARG 19 2HH1 ARG 19 -5.240 -0.071 -7.321
139 1HH2 ARG 19 1HH2 ARG 19 -3.592 -2.437 -5.343
140 2HH2 ARG 19 2HH2 ARG 19 -4.499 -2.169 -6.794
141 HA PRO 20 HA PRO 20 -7.795 -1.470 0.040
142 1HB PRO 20 1HB PRO 20 -7.810 -3.845 -1.258
143 2HB PRO 20 2HB PRO 20 -9.251 -2.831 -1.120
144 1HG PRO 20 1HG PRO 20 -7.353 -3.122 -3.415
145 2HG PRO 20 2HG PRO 20 -9.124 -3.037 -3.430
146 1HD PRO 20 1HD PRO 20 -7.532 -0.910 -4.012
147 2HD PRO 20 2HD PRO 20 -9.139 -0.743 -3.278
148 HA PRO 21 HA PRO 21 -3.579 -2.503 0.851
149 1HB PRO 21 1HB PRO 21 -4.549 -5.175 1.731
150 2HB PRO 21 2HB PRO 21 -3.549 -3.998 2.590
151 1HG PRO 21 1HG PRO 21 -6.125 -4.339 3.209
152 2HG PRO 21 2HG PRO 21 -5.369 -2.738 3.254
153 1HD PRO 21 1HD PRO 21 -7.243 -3.892 1.250
154 2HD PRO 21 2HD PRO 21 -7.072 -2.216 1.805
155 HA PRO 22 HA PRO 22 -2.125 -4.379 -2.915
156 1HB PRO 22 1HB PRO 22 0.127 -5.065 -1.061
157 2HB PRO 22 2HB PRO 22 0.183 -4.399 -2.699
158 1HG PRO 22 1HG PRO 22 0.530 -2.824 -0.584
159 2HG PRO 22 2HG PRO 22 -0.388 -2.266 -1.995
160 1HD PRO 22 1HD PRO 22 -1.357 -3.063 0.694
161 2HD PRO 22 2HD PRO 22 -2.060 -1.930 -0.473
162 H SER 23 H SER 23 -3.594 -6.081 -3.050
163 HA SER 23 HA SER 23 -3.252 -8.489 -1.514
164 1HB SER 23 1HB SER 23 -5.026 -9.383 -3.099
165 2HB SER 23 2HB SER 23 -5.493 -7.976 -2.145
166 HG SER 23 HG SER 23 -5.684 -6.856 -3.917
Start of MODEL 5
1 H ALA 1 H ALA 1 4.042 -8.310 -5.702
2 HA ALA 1 HA ALA 1 5.677 -8.480 -3.989
3 1HB ALA 1 1HB ALA 1 7.452 -7.218 -5.097
4 2HB ALA 1 2HB ALA 1 7.128 -6.585 -3.484
5 3HB ALA 1 3HB ALA 1 6.521 -5.732 -4.903
6 H LEU 2 H LEU 2 4.395 -8.380 -2.276
7 HA LEU 2 HA LEU 2 2.281 -6.434 -2.091
8 1HB LEU 2 1HB LEU 2 3.111 -8.431 0.010
9 2HB LEU 2 2HB LEU 2 1.561 -7.628 -0.138
10 HG LEU 2 HG LEU 2 2.678 -9.823 -1.870
11 1HD1 LEU 2 1HD1 LEU 2 0.124 -9.601 -0.287
12 2HD1 LEU 2 2HD1 LEU 2 1.572 -10.465 0.227
13 3HD1 LEU 2 3HD1 LEU 2 0.680 -11.007 -1.195
14 1HD2 LEU 2 1HD2 LEU 2 0.146 -9.350 -2.806
15 2HD2 LEU 2 2HD2 LEU 2 1.641 -8.861 -3.603
16 3HD2 LEU 2 3HD2 LEU 2 0.777 -7.720 -2.573
17 H GLN 3 H GLN 3 5.192 -7.192 -0.180
18 HA GLN 3 HA GLN 3 4.873 -5.099 1.692
19 1HB GLN 3 1HB GLN 3 6.394 -7.175 1.823
20 2HB GLN 3 2HB GLN 3 7.542 -6.232 0.883
21 1HG GLN 3 1HG GLN 3 7.013 -4.462 2.817
22 2HG GLN 3 2HG GLN 3 6.713 -5.958 3.702
23 1HE2 GLN 3 1HE2 GLN 3 8.406 -7.226 4.298
24 2HE2 GLN 3 2HE2 GLN 3 10.063 -6.817 4.014
25 H GLU 4 H GLU 4 6.563 -5.287 -1.413
26 HA GLU 4 HA GLU 4 7.886 -2.807 -1.278
27 1HB GLU 4 1HB GLU 4 8.087 -4.801 -2.981
28 2HB GLU 4 2HB GLU 4 6.887 -3.887 -3.885
29 1HG GLU 4 1HG GLU 4 8.393 -1.945 -3.882
30 2HG GLU 4 2HG GLU 4 9.602 -2.907 -3.033
31 H LEU 5 H LEU 5 4.693 -3.703 -2.557
32 HA LEU 5 HA LEU 5 4.036 -1.089 -3.473
33 1HB LEU 5 1HB LEU 5 2.967 -3.561 -3.845
34 2HB LEU 5 2HB LEU 5 1.816 -2.875 -2.715
35 HG LEU 5 HG LEU 5 2.587 -1.650 -5.366
36 1HD1 LEU 5 1HD1 LEU 5 1.237 -3.808 -5.393
37 2HD1 LEU 5 2HD1 LEU 5 0.550 -2.419 -6.235
38 3HD1 LEU 5 3HD1 LEU 5 -0.057 -2.873 -4.643
39 1HD2 LEU 5 1HD2 LEU 5 0.600 -0.203 -4.913
40 2HD2 LEU 5 2HD2 LEU 5 1.969 0.078 -3.838
41 3HD2 LEU 5 3HD2 LEU 5 0.578 -0.845 -3.270
42 H LEU 6 H LEU 6 3.763 -2.718 -0.397
43 HA LEU 6 HA LEU 6 1.806 -1.211 0.880
44 1HB LEU 6 1HB LEU 6 3.795 -3.073 1.587
45 2HB LEU 6 2HB LEU 6 3.935 -1.742 2.705
46 HG LEU 6 HG LEU 6 2.475 -3.636 3.470
47 1HD1 LEU 6 1HD1 LEU 6 0.555 -2.062 4.120
48 2HD1 LEU 6 2HD1 LEU 6 1.470 -0.822 3.262
49 3HD1 LEU 6 3HD1 LEU 6 2.189 -1.650 4.642
50 1HD2 LEU 6 1HD2 LEU 6 1.451 -4.101 1.269
51 2HD2 LEU 6 2HD2 LEU 6 0.574 -2.576 1.386
52 3HD2 LEU 6 3HD2 LEU 6 0.260 -3.864 2.548
53 H GLY 7 H GLY 7 5.296 -0.555 0.585
54 1HA GLY 7 1HA GLY 7 5.335 1.756 2.200
55 2HA GLY 7 2HA GLY 7 6.500 1.367 0.950
56 H GLN 8 H GLN 8 4.624 1.267 -1.210
57 HA GLN 8 HA GLN 8 4.482 4.092 -1.812
58 1HB GLN 8 1HB GLN 8 4.946 2.204 -3.487
59 2HB GLN 8 2HB GLN 8 3.222 1.864 -3.419
60 1HG GLN 8 1HG GLN 8 3.661 3.222 -5.331
61 2HG GLN 8 2HG GLN 8 2.783 4.189 -4.148
62 1HE2 GLN 8 1HE2 GLN 8 3.793 5.919 -3.165
63 2HE2 GLN 8 2HE2 GLN 8 5.319 6.538 -3.700
64 H TRP 9 H TRP 9 2.308 1.495 -1.002
65 HA TRP 9 HA TRP 9 -0.170 2.799 -1.287
66 1HB TRP 9 1HB TRP 9 0.195 0.348 -1.114
67 2HB TRP 9 2HB TRP 9 0.644 0.558 0.569
68 HD1 TRP 9 HD1 TRP 9 -2.418 1.918 -1.374
69 HE1 TRP 9 HE1 TRP 9 -4.534 1.231 -0.062
70 HE3 TRP 9 HE3 TRP 9 -0.195 -0.734 2.350
71 HZ2 TRP 9 HZ2 TRP 9 -5.148 -0.249 2.278
72 HZ3 TRP 9 HZ3 TRP 9 -1.600 -1.747 4.099
73 HH2 TRP 9 HH2 TRP 9 -4.026 -1.495 4.059
74 H LEU 10 H LEU 10 2.117 2.460 1.360
75 HA LEU 10 HA LEU 10 0.525 3.707 3.357
76 1HB LEU 10 1HB LEU 10 2.466 2.192 3.784
77 2HB LEU 10 2HB LEU 10 3.532 3.479 3.258
78 HG LEU 10 HG LEU 10 2.600 4.895 5.121
79 1HD1 LEU 10 1HD1 LEU 10 1.360 2.266 5.915
80 2HD1 LEU 10 2HD1 LEU 10 0.520 3.766 5.523
81 3HD1 LEU 10 3HD1 LEU 10 1.511 3.666 6.977
82 1HD2 LEU 10 1HD2 LEU 10 4.762 3.731 5.265
83 2HD2 LEU 10 2HD2 LEU 10 3.945 2.325 5.946
84 3HD2 LEU 10 3HD2 LEU 10 3.960 3.850 6.831
85 H LYS 11 H LYS 11 2.905 4.908 1.041
86 HA LYS 11 HA LYS 11 3.365 7.453 2.036
87 1HB LYS 11 1HB LYS 11 3.448 6.203 -0.652
88 2HB LYS 11 2HB LYS 11 3.393 7.960 -0.611
89 1HG LYS 11 1HG LYS 11 5.348 7.815 1.019
90 2HG LYS 11 2HG LYS 11 5.484 6.130 0.512
91 1HD LYS 11 1HD LYS 11 6.403 6.684 -1.455
92 2HD LYS 11 2HD LYS 11 5.249 7.992 -1.724
93 1HE LYS 11 1HE LYS 11 6.618 9.242 0.084
94 2HE LYS 11 2HE LYS 11 7.865 8.046 -0.266
95 1HZ LYS 11 1HZ LYS 11 8.184 10.030 -1.585
96 2HZ LYS 11 2HZ LYS 11 6.628 9.899 -2.232
97 3HZ LYS 11 3HZ LYS 11 7.794 8.728 -2.595
98 H ASP 12 H ASP 12 0.700 6.306 -0.006
99 HA ASP 12 HA ASP 12 -0.547 8.872 -0.226
100 1HB ASP 12 1HB ASP 12 -0.791 6.849 -1.805
101 2HB ASP 12 2HB ASP 12 -1.940 6.227 -0.630
102 H GLY 13 H GLY 13 -0.962 6.042 1.848
103 1HA GLY 13 1HA GLY 13 -1.623 6.926 4.195
104 2HA GLY 13 2HA GLY 13 -3.078 7.429 3.349
105 H GLY 14 H GLY 14 -1.198 4.436 2.981
106 1HA GLY 14 1HA GLY 14 -1.909 2.260 2.893
107 2HA GLY 14 2HA GLY 14 -2.475 2.642 4.509
108 HA PRO 15 HA PRO 15 -6.286 0.970 2.713
109 1HB PRO 15 1HB PRO 15 -7.121 1.848 5.432
110 2HB PRO 15 2HB PRO 15 -7.455 0.337 4.594
111 1HG PRO 15 1HG PRO 15 -5.629 0.433 6.516
112 2HG PRO 15 2HG PRO 15 -5.332 -0.516 5.047
113 1HD PRO 15 1HD PRO 15 -4.223 2.146 5.835
114 2HD PRO 15 2HD PRO 15 -3.447 0.818 4.959
115 H SER 16 H SER 16 -6.120 3.978 4.627
116 HA SER 16 HA SER 16 -8.553 5.017 3.637
117 1HB SER 16 1HB SER 16 -8.065 6.978 4.841
118 2HB SER 16 2HB SER 16 -7.272 5.702 5.762
119 HG SER 16 HG SER 16 -5.323 6.357 5.010
120 H SER 17 H SER 17 -5.393 4.891 2.261
121 HA SER 17 HA SER 17 -5.185 7.134 0.695
122 1HB SER 17 1HB SER 17 -3.716 5.915 -0.709
123 2HB SER 17 2HB SER 17 -3.560 5.170 0.880
124 HG SER 17 HG SER 17 -3.937 3.838 -1.189
125 H GLY 18 H GLY 18 -7.111 4.230 0.040
126 1HA GLY 18 1HA GLY 18 -9.282 5.088 -1.145
127 2HA GLY 18 2HA GLY 18 -8.134 5.426 -2.432
128 H ARG 19 H ARG 19 -6.467 3.219 -2.232
129 HA ARG 19 HA ARG 19 -8.231 1.129 -3.265
130 1HB ARG 19 1HB ARG 19 -6.193 0.149 -4.215
131 2HB ARG 19 2HB ARG 19 -6.381 1.828 -4.699
132 1HG ARG 19 1HG ARG 19 -4.605 2.541 -3.411
133 2HG ARG 19 2HG ARG 19 -4.701 1.154 -2.325
134 1HD ARG 19 1HD ARG 19 -2.842 0.605 -3.548
135 2HD ARG 19 2HD ARG 19 -4.101 -0.192 -4.492
136 HE ARG 19 HE ARG 19 -3.808 2.359 -5.539
137 1HH1 ARG 19 1HH1 ARG 19 -1.836 -0.512 -5.175
138 2HH1 ARG 19 2HH1 ARG 19 -0.886 -0.186 -6.584
139 1HH2 ARG 19 1HH2 ARG 19 -2.552 2.782 -7.394
140 2HH2 ARG 19 2HH2 ARG 19 -1.291 1.684 -7.844
141 HA PRO 20 HA PRO 20 -7.777 -1.513 0.246
142 1HB PRO 20 1HB PRO 20 -7.630 -3.829 -1.565
143 2HB PRO 20 2HB PRO 20 -8.864 -3.415 -0.374
144 1HG PRO 20 1HG PRO 20 -9.331 -3.244 -3.015
145 2HG PRO 20 2HG PRO 20 -10.049 -2.105 -1.859
146 1HD PRO 20 1HD PRO 20 -7.689 -1.735 -3.668
147 2HD PRO 20 2HD PRO 20 -9.001 -0.602 -3.280
148 HA PRO 21 HA PRO 21 -3.574 -2.572 1.067
149 1HB PRO 21 1HB PRO 21 -4.552 -5.257 1.916
150 2HB PRO 21 2HB PRO 21 -3.529 -4.107 2.783
151 1HG PRO 21 1HG PRO 21 -6.095 -4.407 3.431
152 2HG PRO 21 2HG PRO 21 -5.329 -2.808 3.450
153 1HD PRO 21 1HD PRO 21 -7.224 -3.979 1.472
154 2HD PRO 21 2HD PRO 21 -7.058 -2.301 2.020
155 HA PRO 22 HA PRO 22 -2.358 -4.722 -2.664
156 1HB PRO 22 1HB PRO 22 0.355 -4.579 -1.512
157 2HB PRO 22 2HB PRO 22 -0.264 -3.895 -3.018
158 1HG PRO 22 1HG PRO 22 0.329 -2.350 -0.907
159 2HG PRO 22 2HG PRO 22 -1.025 -1.975 -1.989
160 1HD PRO 22 1HD PRO 22 -1.062 -3.238 0.725
161 2HD PRO 22 2HD PRO 22 -2.161 -2.035 0.026
162 H SER 23 H SER 23 -3.453 -6.638 -1.710
163 HA SER 23 HA SER 23 -1.563 -8.798 -1.429
164 1HB SER 23 1HB SER 23 -2.765 -9.656 0.665
165 2HB SER 23 2HB SER 23 -1.660 -8.299 0.886
166 HG SER 23 HG SER 23 -3.310 -6.994 1.280
Start of MODEL 6
1 H ALA 1 H ALA 1 3.873 -8.290 -5.451
2 HA ALA 1 HA ALA 1 6.211 -7.819 -3.726
3 1HB ALA 1 1HB ALA 1 6.581 -6.483 -5.581
4 2HB ALA 1 2HB ALA 1 5.689 -5.406 -4.506
5 3HB ALA 1 3HB ALA 1 4.861 -6.197 -5.848
6 H LEU 2 H LEU 2 5.377 -8.047 -1.726
7 HA LEU 2 HA LEU 2 2.740 -6.939 -1.120
8 1HB LEU 2 1HB LEU 2 4.444 -9.029 0.008
9 2HB LEU 2 2HB LEU 2 3.749 -7.984 1.232
10 HG LEU 2 HG LEU 2 2.385 -9.987 0.835
11 1HD1 LEU 2 1HD1 LEU 2 0.297 -8.912 0.814
12 2HD1 LEU 2 2HD1 LEU 2 0.893 -7.588 -0.186
13 3HD1 LEU 2 3HD1 LEU 2 1.420 -7.733 1.491
14 1HD2 LEU 2 1HD2 LEU 2 2.975 -10.205 -1.582
15 2HD2 LEU 2 2HD2 LEU 2 1.873 -8.870 -1.917
16 3HD2 LEU 2 3HD2 LEU 2 1.254 -10.373 -1.233
17 H GLN 3 H GLN 3 5.994 -6.857 0.362
18 HA GLN 3 HA GLN 3 5.432 -4.608 1.997
19 1HB GLN 3 1HB GLN 3 7.239 -6.339 2.373
20 2HB GLN 3 2HB GLN 3 8.164 -5.539 1.111
21 1HG GLN 3 1HG GLN 3 7.178 -3.770 3.235
22 2HG GLN 3 2HG GLN 3 8.350 -4.982 3.751
23 1HE2 GLN 3 1HE2 GLN 3 10.414 -5.026 2.684
24 2HE2 GLN 3 2HE2 GLN 3 11.056 -3.578 1.987
25 H GLU 4 H GLU 4 7.016 -4.968 -1.159
26 HA GLU 4 HA GLU 4 7.945 -2.351 -1.473
27 1HB GLU 4 1HB GLU 4 6.956 -4.271 -3.591
28 2HB GLU 4 2HB GLU 4 7.887 -2.815 -3.906
29 1HG GLU 4 1HG GLU 4 9.814 -3.817 -3.431
30 2HG GLU 4 2HG GLU 4 9.168 -4.548 -1.961
31 H LEU 5 H LEU 5 4.831 -3.777 -2.469
32 HA LEU 5 HA LEU 5 3.785 -1.341 -3.502
33 1HB LEU 5 1HB LEU 5 3.037 -3.973 -3.630
34 2HB LEU 5 2HB LEU 5 1.827 -3.308 -2.552
35 HG LEU 5 HG LEU 5 2.440 -2.280 -5.325
36 1HD1 LEU 5 1HD1 LEU 5 0.629 -3.429 -6.124
37 2HD1 LEU 5 2HD1 LEU 5 -0.140 -3.543 -4.542
38 3HD1 LEU 5 3HD1 LEU 5 1.236 -4.575 -4.929
39 1HD2 LEU 5 1HD2 LEU 5 0.300 -1.495 -3.348
40 2HD2 LEU 5 2HD2 LEU 5 0.424 -0.919 -5.011
41 3HD2 LEU 5 3HD2 LEU 5 1.680 -0.512 -3.840
42 H LEU 6 H LEU 6 3.732 -2.873 -0.341
43 HA LEU 6 HA LEU 6 1.694 -1.385 0.883
44 1HB LEU 6 1HB LEU 6 3.687 -3.222 1.653
45 2HB LEU 6 2HB LEU 6 3.813 -1.863 2.737
46 HG LEU 6 HG LEU 6 2.357 -3.746 3.539
47 1HD1 LEU 6 1HD1 LEU 6 2.062 -1.734 4.664
48 2HD1 LEU 6 2HD1 LEU 6 0.432 -2.160 4.146
49 3HD1 LEU 6 3HD1 LEU 6 1.348 -0.939 3.262
50 1HD2 LEU 6 1HD2 LEU 6 1.354 -4.177 1.273
51 2HD2 LEU 6 2HD2 LEU 6 0.382 -2.725 1.512
52 3HD2 LEU 6 3HD2 LEU 6 0.206 -4.094 2.608
53 H GLY 7 H GLY 7 5.159 -0.706 0.508
54 1HA GLY 7 1HA GLY 7 5.197 1.639 2.098
55 2HA GLY 7 2HA GLY 7 6.370 1.215 0.868
56 H GLN 8 H GLN 8 4.474 1.032 -1.284
57 HA GLN 8 HA GLN 8 4.346 3.828 -1.997
58 1HB GLN 8 1HB GLN 8 4.727 1.765 -3.556
59 2HB GLN 8 2HB GLN 8 2.975 1.632 -3.535
60 1HG GLN 8 1HG GLN 8 3.582 2.853 -5.474
61 2HG GLN 8 2HG GLN 8 2.860 3.991 -4.337
62 1HE2 GLN 8 1HE2 GLN 8 4.123 5.586 -3.417
63 2HE2 GLN 8 2HE2 GLN 8 5.721 5.950 -3.972
64 H TRP 9 H TRP 9 2.149 1.278 -1.081
65 HA TRP 9 HA TRP 9 -0.312 2.620 -1.369
66 1HB TRP 9 1HB TRP 9 -0.004 0.170 -1.167
67 2HB TRP 9 2HB TRP 9 0.489 0.386 0.502
68 HD1 TRP 9 HD1 TRP 9 -2.585 1.840 -1.353
69 HE1 TRP 9 HE1 TRP 9 -4.682 1.198 0.009
70 HE3 TRP 9 HE3 TRP 9 -0.343 -0.930 2.270
71 HZ2 TRP 9 HZ2 TRP 9 -5.277 -0.291 2.345
72 HZ3 TRP 9 HZ3 TRP 9 -1.728 -1.925 4.045
73 HH2 TRP 9 HH2 TRP 9 -4.147 -1.601 4.075
74 H LEU 10 H LEU 10 1.991 2.271 1.269
75 HA LEU 10 HA LEU 10 0.438 3.594 3.250
76 1HB LEU 10 1HB LEU 10 2.331 2.038 3.711
77 2HB LEU 10 2HB LEU 10 3.437 3.274 3.141
78 HG LEU 10 HG LEU 10 2.519 4.770 4.974
79 1HD1 LEU 10 1HD1 LEU 10 0.460 3.608 5.443
80 2HD1 LEU 10 2HD1 LEU 10 1.479 3.598 6.882
81 3HD1 LEU 10 3HD1 LEU 10 1.346 2.149 5.887
82 1HD2 LEU 10 1HD2 LEU 10 3.917 3.754 6.691
83 2HD2 LEU 10 2HD2 LEU 10 4.698 3.664 5.112
84 3HD2 LEU 10 3HD2 LEU 10 3.929 2.233 5.797
85 H LYS 11 H LYS 11 2.760 4.685 0.842
86 HA LYS 11 HA LYS 11 3.355 7.229 1.768
87 1HB LYS 11 1HB LYS 11 4.111 5.894 -0.387
88 2HB LYS 11 2HB LYS 11 2.834 6.830 -1.150
89 1HG LYS 11 1HG LYS 11 4.498 8.296 -1.497
90 2HG LYS 11 2HG LYS 11 4.118 8.795 0.153
91 1HD LYS 11 1HD LYS 11 5.848 6.777 0.639
92 2HD LYS 11 2HD LYS 11 6.467 7.360 -0.906
93 1HE LYS 11 1HE LYS 11 6.714 9.586 -0.025
94 2HE LYS 11 2HE LYS 11 5.935 9.116 1.486
95 1HZ LYS 11 1HZ LYS 11 8.327 9.196 1.734
96 2HZ LYS 11 2HZ LYS 11 8.532 8.085 0.475
97 3HZ LYS 11 3HZ LYS 11 7.783 7.604 1.913
98 H ASP 12 H ASP 12 0.582 6.150 -0.168
99 HA ASP 12 HA ASP 12 -0.606 8.749 -0.335
100 1HB ASP 12 1HB ASP 12 -0.961 6.826 -1.957
101 2HB ASP 12 2HB ASP 12 -1.992 6.092 -0.743
102 H GLY 13 H GLY 13 -0.953 5.955 1.787
103 1HA GLY 13 1HA GLY 13 -1.548 6.848 4.134
104 2HA GLY 13 2HA GLY 13 -3.022 7.370 3.335
105 H GLY 14 H GLY 14 -1.217 4.342 2.901
106 1HA GLY 14 1HA GLY 14 -1.966 2.178 2.860
107 2HA GLY 14 2HA GLY 14 -2.464 2.580 4.494
108 HA PRO 15 HA PRO 15 -6.361 0.962 2.826
109 1HB PRO 15 1HB PRO 15 -7.078 1.823 5.585
110 2HB PRO 15 2HB PRO 15 -7.465 0.326 4.746
111 1HG PRO 15 1HG PRO 15 -5.563 0.381 6.596
112 2HG PRO 15 2HG PRO 15 -5.341 -0.562 5.110
113 1HD PRO 15 1HD PRO 15 -4.153 2.073 5.871
114 2HD PRO 15 2HD PRO 15 -3.440 0.741 4.947
115 H SER 16 H SER 16 -6.071 3.951 4.757
116 HA SER 16 HA SER 16 -8.528 5.018 3.801
117 1HB SER 16 1HB SER 16 -7.945 7.035 4.995
118 2HB SER 16 2HB SER 16 -7.500 5.645 5.985
119 HG SER 16 HG SER 16 -5.894 7.538 4.745
120 H SER 17 H SER 17 -5.387 4.890 2.428
121 HA SER 17 HA SER 17 -5.071 7.214 1.012
122 1HB SER 17 1HB SER 17 -3.717 6.007 -0.521
123 2HB SER 17 2HB SER 17 -3.538 5.189 1.025
124 HG SER 17 HG SER 17 -4.776 3.536 0.301
125 H GLY 18 H GLY 18 -7.036 4.410 0.051
126 1HA GLY 18 1HA GLY 18 -9.218 5.494 -1.001
127 2HA GLY 18 2HA GLY 18 -8.058 5.846 -2.273
128 H ARG 19 H ARG 19 -6.541 3.397 -1.872
129 HA ARG 19 HA ARG 19 -8.432 1.492 -3.082
130 1HB ARG 19 1HB ARG 19 -6.428 0.486 -4.152
131 2HB ARG 19 2HB ARG 19 -6.695 2.157 -4.627
132 1HG ARG 19 1HG ARG 19 -4.627 2.654 -4.018
133 2HG ARG 19 2HG ARG 19 -5.002 2.186 -2.361
134 1HD ARG 19 1HD ARG 19 -3.157 0.867 -2.960
135 2HD ARG 19 2HD ARG 19 -4.549 -0.204 -3.094
136 HE ARG 19 HE ARG 19 -4.024 0.996 -5.592
137 1HH1 ARG 19 1HH1 ARG 19 -2.716 -1.412 -3.411
138 2HH1 ARG 19 2HH1 ARG 19 -1.968 -2.329 -4.674
139 1HH2 ARG 19 1HH2 ARG 19 -3.036 -0.217 -7.254
140 2HH2 ARG 19 2HH2 ARG 19 -2.149 -1.651 -6.856
141 HA PRO 20 HA PRO 20 -7.799 -1.384 0.215
142 1HB PRO 20 1HB PRO 20 -7.692 -3.595 -1.719
143 2HB PRO 20 2HB PRO 20 -8.904 -3.245 -0.486
144 1HG PRO 20 1HG PRO 20 -9.412 -2.946 -3.113
145 2HG PRO 20 2HG PRO 20 -10.133 -1.891 -1.885
146 1HD PRO 20 1HD PRO 20 -7.815 -1.372 -3.708
147 2HD PRO 20 2HD PRO 20 -9.136 -0.287 -3.227
148 HA PRO 21 HA PRO 21 -3.577 -2.578 0.712
149 1HB PRO 21 1HB PRO 21 -3.770 -5.206 1.569
150 2HB PRO 21 2HB PRO 21 -3.944 -3.787 2.605
151 1HG PRO 21 1HG PRO 21 -6.053 -5.488 1.348
152 2HG PRO 21 2HG PRO 21 -6.015 -4.754 2.962
153 1HD PRO 21 1HD PRO 21 -7.483 -3.705 0.979
154 2HD PRO 21 2HD PRO 21 -6.658 -2.674 2.167
155 HA PRO 22 HA PRO 22 -2.118 -4.306 -3.092
156 1HB PRO 22 1HB PRO 22 0.046 -5.415 -1.361
157 2HB PRO 22 2HB PRO 22 0.170 -4.508 -2.873
158 1HG PRO 22 1HG PRO 22 0.652 -3.316 -0.549
159 2HG PRO 22 2HG PRO 22 -0.223 -2.469 -1.838
160 1HD PRO 22 1HD PRO 22 -1.259 -3.671 0.685
161 2HD PRO 22 2HD PRO 22 -1.810 -2.229 -0.191
162 H SER 23 H SER 23 -1.940 -6.395 -0.240
163 HA SER 23 HA SER 23 -3.354 -8.504 -1.574
164 1HB SER 23 1HB SER 23 -0.460 -8.533 -1.586
165 2HB SER 23 2HB SER 23 -1.091 -9.920 -0.699
166 HG SER 23 HG SER 23 -0.871 -10.296 -2.972
Start of MODEL 7
1 H ALA 1 H ALA 1 3.212 -7.871 -5.628
2 HA ALA 1 HA ALA 1 4.661 -8.645 -3.921
3 1HB ALA 1 1HB ALA 1 6.205 -6.187 -4.665
4 2HB ALA 1 2HB ALA 1 6.773 -7.847 -4.494
5 3HB ALA 1 3HB ALA 1 6.346 -6.911 -3.062
6 H LEU 2 H LEU 2 3.919 -8.299 -1.878
7 HA LEU 2 HA LEU 2 1.882 -6.274 -1.557
8 1HB LEU 2 1HB LEU 2 1.695 -8.664 -0.749
9 2HB LEU 2 2HB LEU 2 2.847 -8.249 0.505
10 HG LEU 2 HG LEU 2 0.474 -6.495 0.314
11 1HD1 LEU 2 1HD1 LEU 2 0.228 -9.278 1.440
12 2HD1 LEU 2 2HD1 LEU 2 -0.447 -8.768 -0.106
13 3HD1 LEU 2 3HD1 LEU 2 -1.015 -8.028 1.390
14 1HD2 LEU 2 1HD2 LEU 2 0.617 -6.683 2.766
15 2HD2 LEU 2 2HD2 LEU 2 2.139 -6.162 2.043
16 3HD2 LEU 2 3HD2 LEU 2 1.945 -7.829 2.585
17 H GLN 3 H GLN 3 4.916 -7.135 0.113
18 HA GLN 3 HA GLN 3 4.876 -4.941 1.898
19 1HB GLN 3 1HB GLN 3 6.304 -7.192 1.823
20 2HB GLN 3 2HB GLN 3 7.481 -6.120 1.077
21 1HG GLN 3 1HG GLN 3 6.830 -4.613 3.174
22 2HG GLN 3 2HG GLN 3 6.469 -6.199 3.854
23 1HE2 GLN 3 1HE2 GLN 3 8.147 -7.704 4.105
24 2HE2 GLN 3 2HE2 GLN 3 9.807 -7.219 4.102
25 H GLU 4 H GLU 4 6.449 -5.416 -1.254
26 HA GLU 4 HA GLU 4 7.915 -3.020 -1.299
27 1HB GLU 4 1HB GLU 4 6.781 -4.661 -3.569
28 2HB GLU 4 2HB GLU 4 7.892 -3.317 -3.792
29 1HG GLU 4 1HG GLU 4 8.503 -5.779 -2.173
30 2HG GLU 4 2HG GLU 4 8.968 -5.546 -3.857
31 H LEU 5 H LEU 5 4.671 -3.762 -2.568
32 HA LEU 5 HA LEU 5 4.190 -1.100 -3.484
33 1HB LEU 5 1HB LEU 5 3.034 -3.508 -3.966
34 2HB LEU 5 2HB LEU 5 1.863 -2.799 -2.873
35 HG LEU 5 HG LEU 5 2.818 -1.482 -5.415
36 1HD1 LEU 5 1HD1 LEU 5 0.687 -2.127 -6.376
37 2HD1 LEU 5 2HD1 LEU 5 0.249 -2.972 -4.892
38 3HD1 LEU 5 3HD1 LEU 5 1.590 -3.556 -5.877
39 1HD2 LEU 5 1HD2 LEU 5 0.681 -0.156 -5.014
40 2HD2 LEU 5 2HD2 LEU 5 2.052 0.194 -3.960
41 3HD2 LEU 5 3HD2 LEU 5 0.721 -0.803 -3.373
42 H LEU 6 H LEU 6 3.834 -2.709 -0.430
43 HA LEU 6 HA LEU 6 1.832 -1.227 0.806
44 1HB LEU 6 1HB LEU 6 3.701 -3.123 1.550
45 2HB LEU 6 2HB LEU 6 4.061 -1.762 2.580
46 HG LEU 6 HG LEU 6 2.522 -3.409 3.614
47 1HD1 LEU 6 1HD1 LEU 6 1.517 -0.616 3.126
48 2HD1 LEU 6 2HD1 LEU 6 2.458 -1.214 4.492
49 3HD1 LEU 6 3HD1 LEU 6 0.781 -1.720 4.288
50 1HD2 LEU 6 1HD2 LEU 6 0.565 -2.486 1.515
51 2HD2 LEU 6 2HD2 LEU 6 0.238 -3.597 2.844
52 3HD2 LEU 6 3HD2 LEU 6 1.343 -4.067 1.553
53 H GLY 7 H GLY 7 5.312 -0.513 0.542
54 1HA GLY 7 1HA GLY 7 5.291 1.816 2.134
55 2HA GLY 7 2HA GLY 7 6.472 1.438 0.897
56 H GLN 8 H GLN 8 4.503 1.245 -1.231
57 HA GLN 8 HA GLN 8 4.353 4.059 -1.907
58 1HB GLN 8 1HB GLN 8 4.465 1.693 -3.375
59 2HB GLN 8 2HB GLN 8 2.819 2.259 -3.626
60 1HG GLN 8 1HG GLN 8 4.138 3.136 -5.381
61 2HG GLN 8 2HG GLN 8 3.771 4.473 -4.292
62 1HE2 GLN 8 1HE2 GLN 8 5.412 5.492 -3.217
63 2HE2 GLN 8 2HE2 GLN 8 7.087 5.150 -3.491
64 H TRP 9 H TRP 9 2.208 1.462 -1.016
65 HA TRP 9 HA TRP 9 -0.279 2.763 -1.262
66 1HB TRP 9 1HB TRP 9 0.100 0.309 -1.080
67 2HB TRP 9 2HB TRP 9 0.565 0.535 0.596
68 HD1 TRP 9 HD1 TRP 9 -2.521 1.898 -1.306
69 HE1 TRP 9 HE1 TRP 9 -4.619 1.204 0.026
70 HE3 TRP 9 HE3 TRP 9 -0.253 -0.773 2.373
71 HZ2 TRP 9 HZ2 TRP 9 -5.205 -0.289 2.364
72 HZ3 TRP 9 HZ3 TRP 9 -1.633 -1.792 4.134
73 HH2 TRP 9 HH2 TRP 9 -4.061 -1.543 4.125
74 H LEU 10 H LEU 10 2.060 2.429 1.344
75 HA LEU 10 HA LEU 10 0.500 3.705 3.357
76 1HB LEU 10 1HB LEU 10 2.449 2.146 3.722
77 2HB LEU 10 2HB LEU 10 3.503 3.470 3.261
78 HG LEU 10 HG LEU 10 2.144 4.711 5.198
79 1HD1 LEU 10 1HD1 LEU 10 2.140 1.820 6.052
80 2HD1 LEU 10 2HD1 LEU 10 0.711 2.775 5.653
81 3HD1 LEU 10 3HD1 LEU 10 1.700 3.207 7.048
82 1HD2 LEU 10 1HD2 LEU 10 4.432 2.805 5.679
83 2HD2 LEU 10 2HD2 LEU 10 3.986 4.175 6.695
84 3HD2 LEU 10 3HD2 LEU 10 4.576 4.449 5.056
85 H LYS 11 H LYS 11 2.857 4.835 0.992
86 HA LYS 11 HA LYS 11 3.394 7.382 1.951
87 1HB LYS 11 1HB LYS 11 4.377 6.182 -0.087
88 2HB LYS 11 2HB LYS 11 2.981 6.777 -0.974
89 1HG LYS 11 1HG LYS 11 3.676 9.098 -0.189
90 2HG LYS 11 2HG LYS 11 5.204 8.350 0.282
91 1HD LYS 11 1HD LYS 11 5.925 8.463 -1.817
92 2HD LYS 11 2HD LYS 11 4.553 7.495 -2.357
93 1HE LYS 11 1HE LYS 11 4.155 9.374 -3.575
94 2HE LYS 11 2HE LYS 11 3.302 9.824 -2.100
95 1HZ LYS 11 1HZ LYS 11 6.074 10.615 -2.820
96 2HZ LYS 11 2HZ LYS 11 5.287 11.023 -1.380
97 3HZ LYS 11 3HZ LYS 11 4.712 11.618 -2.855
98 H ASP 12 H ASP 12 0.667 6.254 -0.014
99 HA ASP 12 HA ASP 12 -0.538 8.841 -0.248
100 1HB ASP 12 1HB ASP 12 -0.835 6.803 -1.800
101 2HB ASP 12 2HB ASP 12 -1.984 6.219 -0.603
102 H GLY 13 H GLY 13 -0.972 6.034 1.852
103 1HA GLY 13 1HA GLY 13 -1.585 6.950 4.202
104 2HA GLY 13 2HA GLY 13 -3.047 7.459 3.373
105 H GLY 14 H GLY 14 -1.204 4.446 2.995
106 1HA GLY 14 1HA GLY 14 -1.917 2.275 2.951
107 2HA GLY 14 2HA GLY 14 -2.485 2.682 4.562
108 HA PRO 15 HA PRO 15 -6.290 0.999 2.745
109 1HB PRO 15 1HB PRO 15 -7.116 1.846 5.477
110 2HB PRO 15 2HB PRO 15 -7.449 0.343 4.625
111 1HG PRO 15 1HG PRO 15 -5.618 0.428 6.546
112 2HG PRO 15 2HG PRO 15 -5.328 -0.514 5.071
113 1HD PRO 15 1HD PRO 15 -4.206 2.137 5.871
114 2HD PRO 15 2HD PRO 15 -3.442 0.815 4.974
115 H SER 16 H SER 16 -6.029 3.996 4.637
116 HA SER 16 HA SER 16 -8.488 5.074 3.768
117 1HB SER 16 1HB SER 16 -7.062 5.753 5.804
118 2HB SER 16 2HB SER 16 -6.152 6.750 4.667
119 HG SER 16 HG SER 16 -7.772 8.009 5.515
120 H SER 17 H SER 17 -5.359 4.937 2.277
121 HA SER 17 HA SER 17 -5.234 7.145 0.661
122 1HB SER 17 1HB SER 17 -3.813 5.906 -0.791
123 2HB SER 17 2HB SER 17 -3.566 5.230 0.817
124 HG SER 17 HG SER 17 -3.996 3.795 -1.158
125 H GLY 18 H GLY 18 -7.132 4.201 0.099
126 1HA GLY 18 1HA GLY 18 -9.355 5.009 -1.024
127 2HA GLY 18 2HA GLY 18 -8.254 5.361 -2.349
128 H ARG 19 H ARG 19 -6.538 3.189 -2.189
129 HA ARG 19 HA ARG 19 -8.301 1.048 -3.123
130 1HB ARG 19 1HB ARG 19 -6.296 0.117 -4.186
131 2HB ARG 19 2HB ARG 19 -6.559 1.786 -4.671
132 1HG ARG 19 1HG ARG 19 -4.598 2.446 -3.847
133 2HG ARG 19 2HG ARG 19 -4.828 1.553 -2.343
134 1HD ARG 19 1HD ARG 19 -4.035 -0.469 -3.338
135 2HD ARG 19 2HD ARG 19 -4.023 0.260 -4.943
136 HE ARG 19 HE ARG 19 -2.009 0.504 -2.908
137 1HH1 ARG 19 1HH1 ARG 19 -3.376 1.996 -5.767
138 2HH1 ARG 19 2HH1 ARG 19 -1.939 2.886 -6.138
139 1HH2 ARG 19 1HH2 ARG 19 -0.121 1.684 -3.401
140 2HH2 ARG 19 2HH2 ARG 19 -0.090 2.709 -4.797
141 HA PRO 20 HA PRO 20 -7.489 -1.574 0.340
142 1HB PRO 20 1HB PRO 20 -7.392 -3.915 -1.418
143 2HB PRO 20 2HB PRO 20 -8.603 -3.475 -0.213
144 1HG PRO 20 1HG PRO 20 -9.110 -3.400 -2.863
145 2HG PRO 20 2HG PRO 20 -9.858 -2.271 -1.718
146 1HD PRO 20 1HD PRO 20 -7.539 -1.840 -3.567
147 2HD PRO 20 2HD PRO 20 -8.892 -0.754 -3.184
148 HA PRO 21 HA PRO 21 -3.239 -2.621 0.910
149 1HB PRO 21 1HB PRO 21 -4.068 -5.415 1.534
150 2HB PRO 21 2HB PRO 21 -3.058 -4.305 2.466
151 1HG PRO 21 1HG PRO 21 -5.586 -4.795 3.174
152 2HG PRO 21 2HG PRO 21 -4.875 -3.182 3.350
153 1HD PRO 21 1HD PRO 21 -6.830 -4.181 1.344
154 2HD PRO 21 2HD PRO 21 -6.659 -2.562 2.048
155 HA PRO 22 HA PRO 22 -1.820 -4.019 -3.071
156 1HB PRO 22 1HB PRO 22 0.466 -4.918 -1.351
157 2HB PRO 22 2HB PRO 22 0.493 -4.065 -2.899
158 1HG PRO 22 1HG PRO 22 0.869 -2.749 -0.615
159 2HG PRO 22 2HG PRO 22 -0.067 -2.031 -1.940
160 1HD PRO 22 1HD PRO 22 -1.000 -3.125 0.652
161 2HD PRO 22 2HD PRO 22 -1.727 -1.883 -0.382
162 H SER 23 H SER 23 -3.307 -5.705 -3.366
163 HA SER 23 HA SER 23 -2.142 -8.325 -3.329
164 1HB SER 23 1HB SER 23 -3.884 -9.423 -1.986
165 2HB SER 23 2HB SER 23 -2.999 -8.238 -1.026
166 HG SER 23 HG SER 23 -5.642 -8.304 -1.723
Start of MODEL 8
1 H ALA 1 H ALA 1 4.649 -9.140 -5.053
2 HA ALA 1 HA ALA 1 6.333 -7.693 -4.201
3 1HB ALA 1 1HB ALA 1 6.219 -5.279 -4.895
4 2HB ALA 1 2HB ALA 1 5.222 -5.793 -6.255
5 3HB ALA 1 3HB ALA 1 6.878 -6.382 -6.103
6 H LEU 2 H LEU 2 5.195 -8.052 -2.342
7 HA LEU 2 HA LEU 2 2.634 -6.699 -1.957
8 1HB LEU 2 1HB LEU 2 2.918 -9.092 -1.323
9 2HB LEU 2 2HB LEU 2 4.079 -8.596 -0.106
10 HG LEU 2 HG LEU 2 1.561 -7.167 0.161
11 1HD1 LEU 2 1HD1 LEU 2 0.545 -9.147 -0.732
12 2HD1 LEU 2 2HD1 LEU 2 0.291 -9.122 1.013
13 3HD1 LEU 2 3HD1 LEU 2 1.520 -10.176 0.316
14 1HD2 LEU 2 1HD2 LEU 2 3.312 -7.233 1.862
15 2HD2 LEU 2 2HD2 LEU 2 3.108 -8.978 2.011
16 3HD2 LEU 2 3HD2 LEU 2 1.797 -7.895 2.477
17 H GLN 3 H GLN 3 5.711 -7.048 -0.168
18 HA GLN 3 HA GLN 3 5.199 -4.979 1.676
19 1HB GLN 3 1HB GLN 3 6.902 -6.760 1.991
20 2HB GLN 3 2HB GLN 3 7.885 -6.009 0.741
21 1HG GLN 3 1HG GLN 3 7.077 -4.219 2.924
22 2HG GLN 3 2HG GLN 3 8.139 -5.545 3.394
23 1HE2 GLN 3 1HE2 GLN 3 10.175 -5.756 2.264
24 2HE2 GLN 3 2HE2 GLN 3 10.942 -4.347 1.617
25 H GLU 4 H GLU 4 6.908 -5.001 -1.431
26 HA GLU 4 HA GLU 4 7.895 -2.378 -1.359
27 1HB GLU 4 1HB GLU 4 7.039 -3.943 -3.803
28 2HB GLU 4 2HB GLU 4 8.126 -2.563 -3.782
29 1HG GLU 4 1HG GLU 4 9.769 -4.057 -3.706
30 2HG GLU 4 2HG GLU 4 9.321 -4.286 -2.016
31 H LEU 5 H LEU 5 4.846 -3.655 -2.683
32 HA LEU 5 HA LEU 5 3.870 -1.139 -3.569
33 1HB LEU 5 1HB LEU 5 3.111 -3.727 -3.943
34 2HB LEU 5 2HB LEU 5 1.876 -3.175 -2.828
35 HG LEU 5 HG LEU 5 2.526 -1.927 -5.502
36 1HD1 LEU 5 1HD1 LEU 5 1.182 -4.228 -5.114
37 2HD1 LEU 5 2HD1 LEU 5 0.832 -3.093 -6.418
38 3HD1 LEU 5 3HD1 LEU 5 -0.132 -3.064 -4.941
39 1HD2 LEU 5 1HD2 LEU 5 0.534 -1.198 -3.366
40 2HD2 LEU 5 2HD2 LEU 5 0.397 -0.655 -5.038
41 3HD2 LEU 5 3HD2 LEU 5 1.795 -0.187 -4.070
42 H LEU 6 H LEU 6 3.699 -2.863 -0.518
43 HA LEU 6 HA LEU 6 1.610 -1.450 0.712
44 1HB LEU 6 1HB LEU 6 3.279 -3.470 1.406
45 2HB LEU 6 2HB LEU 6 3.859 -2.195 2.445
46 HG LEU 6 HG LEU 6 2.206 -3.619 3.571
47 1HD1 LEU 6 1HD1 LEU 6 1.278 -0.802 3.034
48 2HD1 LEU 6 2HD1 LEU 6 2.397 -1.326 4.293
49 3HD1 LEU 6 3HD1 LEU 6 0.706 -1.824 4.353
50 1HD2 LEU 6 1HD2 LEU 6 0.180 -2.560 1.616
51 2HD2 LEU 6 2HD2 LEU 6 -0.056 -3.767 2.880
52 3HD2 LEU 6 3HD2 LEU 6 0.931 -4.148 1.469
53 H GLY 7 H GLY 7 5.094 -0.781 0.543
54 1HA GLY 7 1HA GLY 7 5.045 1.486 2.253
55 2HA GLY 7 2HA GLY 7 6.292 1.106 1.082
56 H GLN 8 H GLN 8 4.391 0.997 -1.143
57 HA GLN 8 HA GLN 8 4.397 3.815 -1.806
58 1HB GLN 8 1HB GLN 8 3.274 1.421 -3.289
59 2HB GLN 8 2HB GLN 8 3.339 3.054 -3.937
60 1HG GLN 8 1HG GLN 8 5.772 1.515 -3.068
61 2HG GLN 8 2HG GLN 8 5.147 1.511 -4.716
62 1HE2 GLN 8 1HE2 GLN 8 6.714 3.388 -2.240
63 2HE2 GLN 8 2HE2 GLN 8 7.219 4.688 -3.264
64 H TRP 9 H TRP 9 2.089 1.322 -1.013
65 HA TRP 9 HA TRP 9 -0.306 2.784 -1.289
66 1HB TRP 9 1HB TRP 9 -0.139 0.323 -1.220
67 2HB TRP 9 2HB TRP 9 0.379 0.410 0.454
68 HD1 TRP 9 HD1 TRP 9 -2.645 2.035 -1.340
69 HE1 TRP 9 HE1 TRP 9 -4.760 1.449 0.023
70 HE3 TRP 9 HE3 TRP 9 -0.484 -0.841 2.250
71 HZ2 TRP 9 HZ2 TRP 9 -5.394 -0.046 2.347
72 HZ3 TRP 9 HZ3 TRP 9 -1.895 -1.806 4.019
73 HH2 TRP 9 HH2 TRP 9 -4.300 -1.402 4.060
74 H LEU 10 H LEU 10 1.893 2.151 1.392
75 HA LEU 10 HA LEU 10 0.378 3.426 3.418
76 1HB LEU 10 1HB LEU 10 2.241 1.795 3.778
77 2HB LEU 10 2HB LEU 10 3.370 3.056 3.322
78 HG LEU 10 HG LEU 10 1.554 3.882 5.457
79 1HD1 LEU 10 1HD1 LEU 10 2.602 2.519 7.200
80 2HD1 LEU 10 2HD1 LEU 10 3.448 1.591 5.963
81 3HD1 LEU 10 3HD1 LEU 10 1.689 1.529 6.060
82 1HD2 LEU 10 1HD2 LEU 10 3.551 5.122 4.750
83 2HD2 LEU 10 2HD2 LEU 10 4.562 3.765 5.246
84 3HD2 LEU 10 3HD2 LEU 10 3.631 4.659 6.449
85 H LYS 11 H LYS 11 2.749 4.598 1.100
86 HA LYS 11 HA LYS 11 3.374 7.071 2.206
87 1HB LYS 11 1HB LYS 11 4.233 5.867 0.037
88 2HB LYS 11 2HB LYS 11 2.968 6.800 -0.751
89 1HG LYS 11 1HG LYS 11 4.037 8.825 0.442
90 2HG LYS 11 2HG LYS 11 5.431 7.762 0.643
91 1HD LYS 11 1HD LYS 11 5.544 7.427 -1.767
92 2HD LYS 11 2HD LYS 11 4.113 8.436 -1.988
93 1HE LYS 11 1HE LYS 11 6.535 9.504 -0.585
94 2HE LYS 11 2HE LYS 11 6.461 9.472 -2.346
95 1HZ LYS 11 1HZ LYS 11 4.551 10.847 -0.533
96 2HZ LYS 11 2HZ LYS 11 4.398 10.767 -2.216
97 3HZ LYS 11 3HZ LYS 11 5.705 11.589 -1.524
98 H ASP 12 H ASP 12 0.522 6.047 0.417
99 HA ASP 12 HA ASP 12 -0.565 8.765 0.501
100 1HB ASP 12 1HB ASP 12 -0.593 7.324 -1.613
101 2HB ASP 12 2HB ASP 12 -1.833 6.360 -0.819
102 H GLY 13 H GLY 13 -0.311 7.370 2.975
103 1HA GLY 13 1HA GLY 13 -1.556 7.116 4.890
104 2HA GLY 13 2HA GLY 13 -2.950 7.687 3.991
105 H GLY 14 H GLY 14 -1.064 4.863 3.059
106 1HA GLY 14 1HA GLY 14 -1.720 2.703 2.677
107 2HA GLY 14 2HA GLY 14 -2.289 2.801 4.334
108 HA PRO 15 HA PRO 15 -6.173 1.480 2.481
109 1HB PRO 15 1HB PRO 15 -7.035 2.330 5.202
110 2HB PRO 15 2HB PRO 15 -7.412 0.856 4.321
111 1HG PRO 15 1HG PRO 15 -5.635 0.827 6.287
112 2HG PRO 15 2HG PRO 15 -5.338 -0.097 4.804
113 1HD PRO 15 1HD PRO 15 -4.152 2.501 5.684
114 2HD PRO 15 2HD PRO 15 -3.394 1.162 4.805
115 H SER 16 H SER 16 -5.815 4.451 4.389
116 HA SER 16 HA SER 16 -8.199 5.675 3.681
117 1HB SER 16 1HB SER 16 -6.458 6.412 5.420
118 2HB SER 16 2HB SER 16 -5.639 7.219 4.083
119 HG SER 16 HG SER 16 -7.170 8.684 4.019
120 H SER 17 H SER 17 -5.275 5.282 1.820
121 HA SER 17 HA SER 17 -5.380 7.315 -0.028
122 1HB SER 17 1HB SER 17 -4.144 5.892 -1.519
123 2HB SER 17 2HB SER 17 -3.636 5.501 0.122
124 HG SER 17 HG SER 17 -4.896 3.658 0.048
125 H GLY 18 H GLY 18 -7.220 4.276 -0.064
126 1HA GLY 18 1HA GLY 18 -9.594 4.829 -0.949
127 2HA GLY 18 2HA GLY 18 -8.710 5.215 -2.419
128 H ARG 19 H ARG 19 -6.806 3.179 -2.406
129 HA ARG 19 HA ARG 19 -8.467 0.932 -3.203
130 1HB ARG 19 1HB ARG 19 -6.457 0.046 -4.244
131 2HB ARG 19 2HB ARG 19 -6.675 1.728 -4.701
132 1HG ARG 19 1HG ARG 19 -4.687 2.280 -3.892
133 2HG ARG 19 2HG ARG 19 -5.038 1.520 -2.339
134 1HD ARG 19 1HD ARG 19 -4.227 -0.568 -3.057
135 2HD ARG 19 2HD ARG 19 -4.256 -0.089 -4.753
136 HE ARG 19 HE ARG 19 -2.169 0.408 -2.845
137 1HH1 ARG 19 1HH1 ARG 19 -3.624 1.512 -5.831
138 2HH1 ARG 19 2HH1 ARG 19 -2.187 2.305 -6.381
139 1HH2 ARG 19 1HH2 ARG 19 -0.278 1.459 -3.573
140 2HH2 ARG 19 2HH2 ARG 19 -0.287 2.274 -5.100
141 HA PRO 20 HA PRO 20 -7.739 -1.570 0.363
142 1HB PRO 20 1HB PRO 20 -7.558 -3.940 -1.362
143 2HB PRO 20 2HB PRO 20 -8.782 -3.520 -0.162
144 1HG PRO 20 1HG PRO 20 -9.299 -3.481 -2.804
145 2HG PRO 20 2HG PRO 20 -10.053 -2.338 -1.677
146 1HD PRO 20 1HD PRO 20 -7.745 -1.921 -3.542
147 2HD PRO 20 2HD PRO 20 -9.104 -0.839 -3.170
148 HA PRO 21 HA PRO 21 -3.472 -2.564 0.927
149 1HB PRO 21 1HB PRO 21 -3.574 -5.027 2.165
150 2HB PRO 21 2HB PRO 21 -3.828 -3.485 2.985
151 1HG PRO 21 1HG PRO 21 -5.843 -5.436 1.949
152 2HG PRO 21 2HG PRO 21 -5.851 -4.511 3.463
153 1HD PRO 21 1HD PRO 21 -7.346 -3.771 1.366
154 2HD PRO 21 2HD PRO 21 -6.570 -2.568 2.418
155 HA PRO 22 HA PRO 22 -2.493 -4.950 -2.739
156 1HB PRO 22 1HB PRO 22 0.293 -4.614 -1.807
157 2HB PRO 22 2HB PRO 22 -0.454 -4.108 -3.324
158 1HG PRO 22 1HG PRO 22 0.206 -2.328 -1.442
159 2HG PRO 22 2HG PRO 22 -1.260 -2.136 -2.422
160 1HD PRO 22 1HD PRO 22 -0.978 -3.137 0.386
161 2HD PRO 22 2HD PRO 22 -2.194 -2.043 -0.302
162 H SER 23 H SER 23 -3.437 -6.811 -1.500
163 HA SER 23 HA SER 23 -1.410 -8.858 -1.185
164 1HB SER 23 1HB SER 23 -2.479 -9.638 0.986
165 2HB SER 23 2HB SER 23 -1.525 -8.159 1.093
166 HG SER 23 HG SER 23 -3.321 -6.992 1.356
Start of MODEL 9
1 H ALA 1 H ALA 1 6.657 -7.752 -5.882
2 HA ALA 1 HA ALA 1 5.699 -8.747 -3.965
3 1HB ALA 1 1HB ALA 1 7.570 -6.494 -3.247
4 2HB ALA 1 2HB ALA 1 8.057 -8.035 -3.951
5 3HB ALA 1 3HB ALA 1 7.329 -7.990 -2.346
6 H LEU 2 H LEU 2 4.695 -8.558 -1.922
7 HA LEU 2 HA LEU 2 2.612 -6.620 -1.811
8 1HB LEU 2 1HB LEU 2 3.477 -8.417 0.449
9 2HB LEU 2 2HB LEU 2 1.893 -7.712 0.185
10 HG LEU 2 HG LEU 2 3.162 -9.854 -1.529
11 1HD1 LEU 2 1HD1 LEU 2 0.889 -10.029 0.443
12 2HD1 LEU 2 2HD1 LEU 2 2.520 -10.644 0.705
13 3HD1 LEU 2 3HD1 LEU 2 1.508 -11.340 -0.561
14 1HD2 LEU 2 1HD2 LEU 2 0.323 -8.866 -1.610
15 2HD2 LEU 2 2HD2 LEU 2 1.140 -9.938 -2.747
16 3HD2 LEU 2 3HD2 LEU 2 1.585 -8.233 -2.665
17 H GLN 3 H GLN 3 5.609 -7.095 0.033
18 HA GLN 3 HA GLN 3 5.212 -4.974 1.857
19 1HB GLN 3 1HB GLN 3 6.862 -6.888 2.069
20 2HB GLN 3 2HB GLN 3 7.883 -6.029 0.926
21 1HG GLN 3 1HG GLN 3 7.419 -4.078 2.733
22 2HG GLN 3 2HG GLN 3 7.363 -5.504 3.768
23 1HE2 GLN 3 1HE2 GLN 3 9.219 -6.782 3.995
24 2HE2 GLN 3 2HE2 GLN 3 10.787 -6.194 3.561
25 H GLU 4 H GLU 4 6.904 -5.147 -1.263
26 HA GLU 4 HA GLU 4 7.977 -2.555 -1.257
27 1HB GLU 4 1HB GLU 4 7.393 -4.604 -3.330
28 2HB GLU 4 2HB GLU 4 7.652 -2.957 -3.888
29 1HG GLU 4 1HG GLU 4 9.726 -4.137 -3.979
30 2HG GLU 4 2HG GLU 4 9.816 -2.935 -2.694
31 H LEU 5 H LEU 5 4.898 -3.768 -2.580
32 HA LEU 5 HA LEU 5 4.015 -1.241 -3.530
33 1HB LEU 5 1HB LEU 5 3.173 -3.818 -3.834
34 2HB LEU 5 2HB LEU 5 1.923 -3.146 -2.805
35 HG LEU 5 HG LEU 5 1.639 -3.059 -5.370
36 1HD1 LEU 5 1HD1 LEU 5 0.811 -1.330 -3.253
37 2HD1 LEU 5 2HD1 LEU 5 -0.074 -1.832 -4.692
38 3HD1 LEU 5 3HD1 LEU 5 0.966 -0.409 -4.749
39 1HD2 LEU 5 1HD2 LEU 5 2.642 -1.340 -6.572
40 2HD2 LEU 5 2HD2 LEU 5 3.962 -2.001 -5.607
41 3HD2 LEU 5 3HD2 LEU 5 3.171 -0.504 -5.112
42 H LEU 6 H LEU 6 3.833 -2.846 -0.433
43 HA LEU 6 HA LEU 6 1.738 -1.412 0.758
44 1HB LEU 6 1HB LEU 6 3.508 -3.359 1.521
45 2HB LEU 6 2HB LEU 6 3.960 -2.024 2.548
46 HG LEU 6 HG LEU 6 2.357 -3.534 3.638
47 1HD1 LEU 6 1HD1 LEU 6 2.353 -1.287 4.403
48 2HD1 LEU 6 2HD1 LEU 6 0.669 -1.789 4.256
49 3HD1 LEU 6 3HD1 LEU 6 1.391 -0.752 3.025
50 1HD2 LEU 6 1HD2 LEU 6 0.105 -3.769 2.869
51 2HD2 LEU 6 2HD2 LEU 6 1.185 -4.208 1.546
52 3HD2 LEU 6 3HD2 LEU 6 0.384 -2.637 1.547
53 H GLY 7 H GLY 7 5.245 -0.741 0.683
54 1HA GLY 7 1HA GLY 7 5.167 1.588 2.265
55 2HA GLY 7 2HA GLY 7 6.404 1.200 1.086
56 H GLN 8 H GLN 8 4.526 1.031 -1.137
57 HA GLN 8 HA GLN 8 4.467 3.835 -1.841
58 1HB GLN 8 1HB GLN 8 4.667 1.568 -3.325
59 2HB GLN 8 2HB GLN 8 2.948 1.895 -3.497
60 1HG GLN 8 1HG GLN 8 5.155 3.839 -4.138
61 2HG GLN 8 2HG GLN 8 4.293 2.850 -5.315
62 1HE2 GLN 8 1HE2 GLN 8 4.271 5.712 -3.450
63 2HE2 GLN 8 2HE2 GLN 8 2.731 6.310 -3.966
64 H TRP 9 H TRP 9 2.184 1.311 -1.041
65 HA TRP 9 HA TRP 9 -0.232 2.723 -1.327
66 1HB TRP 9 1HB TRP 9 0.002 0.264 -1.179
67 2HB TRP 9 2HB TRP 9 0.491 0.425 0.498
68 HD1 TRP 9 HD1 TRP 9 -2.542 1.966 -1.356
69 HE1 TRP 9 HE1 TRP 9 -4.658 1.356 -0.010
70 HE3 TRP 9 HE3 TRP 9 -0.372 -0.868 2.258
71 HZ2 TRP 9 HZ2 TRP 9 -5.295 -0.143 2.313
72 HZ3 TRP 9 HZ3 TRP 9 -1.783 -1.851 4.018
73 HH2 TRP 9 HH2 TRP 9 -4.194 -1.484 4.038
74 H LEU 10 H LEU 10 2.004 2.247 1.352
75 HA LEU 10 HA LEU 10 0.463 3.522 3.355
76 1HB LEU 10 1HB LEU 10 2.402 1.975 3.731
77 2HB LEU 10 2HB LEU 10 3.468 3.279 3.244
78 HG LEU 10 HG LEU 10 2.540 4.640 5.143
79 1HD1 LEU 10 1HD1 LEU 10 0.448 3.533 5.509
80 2HD1 LEU 10 2HD1 LEU 10 1.432 3.358 6.961
81 3HD1 LEU 10 3HD1 LEU 10 1.261 2.004 5.844
82 1HD2 LEU 10 1HD2 LEU 10 3.879 3.539 6.832
83 2HD2 LEU 10 2HD2 LEU 10 4.691 3.449 5.269
84 3HD2 LEU 10 3HD2 LEU 10 3.852 2.036 5.911
85 H LYS 11 H LYS 11 2.734 4.723 0.955
86 HA LYS 11 HA LYS 11 3.288 7.249 1.985
87 1HB LYS 11 1HB LYS 11 4.306 6.163 -0.061
88 2HB LYS 11 2HB LYS 11 2.860 6.635 -0.942
89 1HG LYS 11 1HG LYS 11 4.141 8.416 -1.461
90 2HG LYS 11 2HG LYS 11 3.515 9.011 0.078
91 1HD LYS 11 1HD LYS 11 5.601 7.805 1.076
92 2HD LYS 11 2HD LYS 11 6.218 7.907 -0.574
93 1HE LYS 11 1HE LYS 11 7.025 9.863 0.329
94 2HE LYS 11 2HE LYS 11 5.507 10.412 -0.376
95 1HZ LYS 11 1HZ LYS 11 5.950 9.713 2.477
96 2HZ LYS 11 2HZ LYS 11 4.474 10.200 1.812
97 3HZ LYS 11 3HZ LYS 11 5.778 11.276 1.851
98 H ASP 12 H ASP 12 0.452 6.065 0.268
99 HA ASP 12 HA ASP 12 -0.751 8.731 0.289
100 1HB ASP 12 1HB ASP 12 -0.778 7.187 -1.752
101 2HB ASP 12 2HB ASP 12 -1.953 6.214 -0.875
102 H GLY 13 H GLY 13 -0.341 7.221 2.784
103 1HA GLY 13 1HA GLY 13 -1.511 7.022 4.756
104 2HA GLY 13 2HA GLY 13 -2.942 7.592 3.914
105 H GLY 14 H GLY 14 -1.062 4.767 2.959
106 1HA GLY 14 1HA GLY 14 -1.724 2.605 2.590
107 2HA GLY 14 2HA GLY 14 -2.237 2.706 4.266
108 HA PRO 15 HA PRO 15 -6.168 1.347 2.538
109 1HB PRO 15 1HB PRO 15 -6.951 2.178 5.289
110 2HB PRO 15 2HB PRO 15 -7.334 0.700 4.417
111 1HG PRO 15 1HG PRO 15 -5.496 0.693 6.327
112 2HG PRO 15 2HG PRO 15 -5.237 -0.228 4.834
113 1HD PRO 15 1HD PRO 15 -4.051 2.383 5.676
114 2HD PRO 15 2HD PRO 15 -3.309 1.052 4.772
115 H SER 16 H SER 16 -5.824 4.286 4.511
116 HA SER 16 HA SER 16 -8.225 5.500 3.841
117 1HB SER 16 1HB SER 16 -6.469 6.202 5.593
118 2HB SER 16 2HB SER 16 -5.698 7.083 4.275
119 HG SER 16 HG SER 16 -7.263 8.509 4.302
120 H SER 17 H SER 17 -5.308 5.191 1.959
121 HA SER 17 HA SER 17 -5.411 7.280 0.188
122 1HB SER 17 1HB SER 17 -4.183 5.919 -1.353
123 2HB SER 17 2HB SER 17 -3.697 5.417 0.264
124 HG SER 17 HG SER 17 -4.954 3.598 0.064
125 H GLY 18 H GLY 18 -7.312 4.288 0.077
126 1HA GLY 18 1HA GLY 18 -9.675 4.915 -0.783
127 2HA GLY 18 2HA GLY 18 -8.790 5.317 -2.247
128 H ARG 19 H ARG 19 -6.924 3.245 -2.282
129 HA ARG 19 HA ARG 19 -8.651 1.022 -3.048
130 1HB ARG 19 1HB ARG 19 -6.716 0.157 -4.245
131 2HB ARG 19 2HB ARG 19 -6.994 1.837 -4.675
132 1HG ARG 19 1HG ARG 19 -4.984 2.462 -3.948
133 2HG ARG 19 2HG ARG 19 -5.145 1.548 -2.447
134 1HD ARG 19 1HD ARG 19 -4.567 -0.512 -3.677
135 2HD ARG 19 2HD ARG 19 -4.340 0.446 -5.139
136 HE ARG 19 HE ARG 19 -2.526 0.199 -2.926
137 1HH1 ARG 19 1HH1 ARG 19 -3.497 2.245 -5.601
138 2HH1 ARG 19 2HH1 ARG 19 -1.965 3.042 -5.704
139 1HH2 ARG 19 1HH2 ARG 19 -0.511 1.254 -3.072
140 2HH2 ARG 19 2HH2 ARG 19 -0.270 2.482 -4.269
141 HA PRO 20 HA PRO 20 -7.669 -1.472 0.464
142 1HB PRO 20 1HB PRO 20 -7.726 -3.840 -1.279
143 2HB PRO 20 2HB PRO 20 -8.798 -3.406 0.054
144 1HG PRO 20 1HG PRO 20 -9.613 -3.329 -2.507
145 2HG PRO 20 2HG PRO 20 -10.200 -2.174 -1.297
146 1HD PRO 20 1HD PRO 20 -8.118 -1.806 -3.419
147 2HD PRO 20 2HD PRO 20 -9.390 -0.688 -2.881
148 HA PRO 21 HA PRO 21 -3.408 -2.578 0.797
149 1HB PRO 21 1HB PRO 21 -4.246 -5.369 1.433
150 2HB PRO 21 2HB PRO 21 -3.155 -4.293 2.312
151 1HG PRO 21 1HG PRO 21 -5.649 -4.746 3.167
152 2HG PRO 21 2HG PRO 21 -4.883 -3.157 3.337
153 1HD PRO 21 1HD PRO 21 -7.007 -4.042 1.462
154 2HD PRO 21 2HD PRO 21 -6.705 -2.438 2.154
155 HA PRO 22 HA PRO 22 -2.399 -4.360 -3.150
156 1HB PRO 22 1HB PRO 22 0.287 -4.660 -2.794
157 2HB PRO 22 2HB PRO 22 -0.483 -3.104 -3.115
158 1HG PRO 22 1HG PRO 22 0.410 -4.272 -0.510
159 2HG PRO 22 2HG PRO 22 0.586 -2.613 -1.113
160 1HD PRO 22 1HD PRO 22 -1.329 -3.311 0.660
161 2HD PRO 22 2HD PRO 22 -1.582 -2.051 -0.562
162 H SER 23 H SER 23 -3.648 -6.298 -2.403
163 HA SER 23 HA SER 23 -2.228 -8.524 -1.291
164 1HB SER 23 1HB SER 23 -4.716 -8.112 -1.062
165 2HB SER 23 2HB SER 23 -4.876 -8.608 -2.747
166 HG SER 23 HG SER 23 -4.946 -10.555 -1.977
Start of MODEL 10
1 H ALA 1 H ALA 1 5.905 -9.042 -4.889
2 HA ALA 1 HA ALA 1 6.839 -6.879 -4.903
3 1HB ALA 1 1HB ALA 1 6.232 -5.190 -6.361
4 2HB ALA 1 2HB ALA 1 4.697 -5.953 -6.774
5 3HB ALA 1 3HB ALA 1 6.206 -6.610 -7.406
6 H LEU 2 H LEU 2 5.705 -7.845 -2.937
7 HA LEU 2 HA LEU 2 3.101 -6.597 -2.424
8 1HB LEU 2 1HB LEU 2 3.491 -9.058 -1.998
9 2HB LEU 2 2HB LEU 2 4.563 -8.585 -0.693
10 HG LEU 2 HG LEU 2 2.351 -7.199 0.005
11 1HD1 LEU 2 1HD1 LEU 2 0.872 -7.914 -1.659
12 2HD1 LEU 2 2HD1 LEU 2 0.470 -8.906 -0.257
13 3HD1 LEU 2 3HD1 LEU 2 1.434 -9.584 -1.568
14 1HD2 LEU 2 1HD2 LEU 2 2.914 -10.088 0.661
15 2HD2 LEU 2 2HD2 LEU 2 1.920 -8.983 1.612
16 3HD2 LEU 2 3HD2 LEU 2 3.650 -8.688 1.438
17 H GLN 3 H GLN 3 6.318 -6.942 -0.927
18 HA GLN 3 HA GLN 3 5.881 -5.218 1.243
19 1HB GLN 3 1HB GLN 3 8.392 -6.054 -0.199
20 2HB GLN 3 2HB GLN 3 8.427 -4.993 1.203
21 1HG GLN 3 1HG GLN 3 7.640 -6.663 2.634
22 2HG GLN 3 2HG GLN 3 7.072 -7.663 1.298
23 1HE2 GLN 3 1HE2 GLN 3 8.659 -8.711 -0.033
24 2HE2 GLN 3 2HE2 GLN 3 10.210 -9.108 0.623
25 H GLU 4 H GLU 4 7.312 -4.560 -1.956
26 HA GLU 4 HA GLU 4 7.779 -1.811 -1.478
27 1HB GLU 4 1HB GLU 4 8.125 -1.623 -3.892
28 2HB GLU 4 2HB GLU 4 8.960 -3.021 -3.236
29 1HG GLU 4 1HG GLU 4 8.054 -3.827 -5.198
30 2HG GLU 4 2HG GLU 4 6.882 -4.346 -3.991
31 H LEU 5 H LEU 5 4.901 -3.549 -2.256
32 HA LEU 5 HA LEU 5 3.503 -1.320 -3.415
33 1HB LEU 5 1HB LEU 5 3.100 -3.934 -3.622
34 2HB LEU 5 2HB LEU 5 2.057 -3.647 -2.244
35 HG LEU 5 HG LEU 5 1.816 -2.215 -4.890
36 1HD1 LEU 5 1HD1 LEU 5 0.627 -4.736 -3.856
37 2HD1 LEU 5 2HD1 LEU 5 1.122 -4.305 -5.492
38 3HD1 LEU 5 3HD1 LEU 5 -0.384 -3.667 -4.830
39 1HD2 LEU 5 1HD2 LEU 5 0.778 -0.779 -3.461
40 2HD2 LEU 5 2HD2 LEU 5 0.412 -2.038 -2.281
41 3HD2 LEU 5 3HD2 LEU 5 -0.558 -1.895 -3.748
42 H LEU 6 H LEU 6 3.590 -2.919 -0.251
43 HA LEU 6 HA LEU 6 1.545 -1.443 0.991
44 1HB LEU 6 1HB LEU 6 3.059 -3.513 1.701
45 2HB LEU 6 2HB LEU 6 3.882 -2.271 2.607
46 HG LEU 6 HG LEU 6 2.264 -3.372 4.024
47 1HD1 LEU 6 1HD1 LEU 6 1.177 -0.663 3.285
48 2HD1 LEU 6 2HD1 LEU 6 2.633 -0.916 4.248
49 3HD1 LEU 6 3HD1 LEU 6 1.072 -1.477 4.846
50 1HD2 LEU 6 1HD2 LEU 6 0.756 -4.193 2.295
51 2HD2 LEU 6 2HD2 LEU 6 0.200 -2.549 1.987
52 3HD2 LEU 6 3HD2 LEU 6 -0.127 -3.313 3.541
53 H GLY 7 H GLY 7 5.056 -0.890 0.836
54 1HA GLY 7 1HA GLY 7 5.073 1.425 2.464
55 2HA GLY 7 2HA GLY 7 6.301 0.986 1.294
56 H GLN 8 H GLN 8 4.352 0.879 -0.905
57 HA GLN 8 HA GLN 8 4.417 3.698 -1.603
58 1HB GLN 8 1HB GLN 8 4.762 1.626 -3.172
59 2HB GLN 8 2HB GLN 8 3.005 1.595 -3.225
60 1HG GLN 8 1HG GLN 8 3.753 2.804 -5.118
61 2HG GLN 8 2HG GLN 8 3.068 3.972 -3.990
62 1HE2 GLN 8 1HE2 GLN 8 4.393 5.482 -3.023
63 2HE2 GLN 8 2HE2 GLN 8 6.032 5.741 -3.513
64 H TRP 9 H TRP 9 2.113 1.228 -0.768
65 HA TRP 9 HA TRP 9 -0.296 2.650 -1.129
66 1HB TRP 9 1HB TRP 9 -0.047 0.179 -0.917
67 2HB TRP 9 2HB TRP 9 0.352 0.396 0.778
68 HD1 TRP 9 HD1 TRP 9 -2.568 1.859 -1.304
69 HE1 TRP 9 HE1 TRP 9 -4.760 1.305 -0.060
70 HE3 TRP 9 HE3 TRP 9 -0.618 -0.800 2.563
71 HZ2 TRP 9 HZ2 TRP 9 -5.533 -0.085 2.288
72 HZ3 TRP 9 HZ3 TRP 9 -2.132 -1.699 4.280
73 HH2 TRP 9 HH2 TRP 9 -4.539 -1.334 4.140
74 H LEU 10 H LEU 10 1.918 2.207 1.570
75 HA LEU 10 HA LEU 10 0.351 3.589 3.508
76 1HB LEU 10 1HB LEU 10 2.232 1.918 3.915
77 2HB LEU 10 2HB LEU 10 3.340 3.234 3.580
78 HG LEU 10 HG LEU 10 1.316 3.886 5.601
79 1HD1 LEU 10 1HD1 LEU 10 2.314 2.557 7.371
80 2HD1 LEU 10 2HD1 LEU 10 3.380 1.773 6.205
81 3HD1 LEU 10 3HD1 LEU 10 1.637 1.514 6.120
82 1HD2 LEU 10 1HD2 LEU 10 3.218 5.326 5.086
83 2HD2 LEU 10 2HD2 LEU 10 4.329 4.035 5.546
84 3HD2 LEU 10 3HD2 LEU 10 3.279 4.768 6.758
85 H LYS 11 H LYS 11 2.867 4.559 1.235
86 HA LYS 11 HA LYS 11 3.501 7.082 2.209
87 1HB LYS 11 1HB LYS 11 4.467 5.753 0.193
88 2HB LYS 11 2HB LYS 11 3.220 6.567 -0.739
89 1HG LYS 11 1HG LYS 11 4.151 8.684 -0.342
90 2HG LYS 11 2HG LYS 11 5.172 8.079 0.966
91 1HD LYS 11 1HD LYS 11 6.382 6.691 -0.717
92 2HD LYS 11 2HD LYS 11 5.441 7.487 -1.979
93 1HE LYS 11 1HE LYS 11 6.347 9.650 -1.295
94 2HE LYS 11 2HE LYS 11 7.271 8.866 -0.015
95 1HZ LYS 11 1HZ LYS 11 8.637 9.308 -1.958
96 2HZ LYS 11 2HZ LYS 11 7.605 8.383 -2.928
97 3HZ LYS 11 3HZ LYS 11 8.498 7.642 -1.697
98 H ASP 12 H ASP 12 0.842 6.098 0.073
99 HA ASP 12 HA ASP 12 -0.196 8.742 -0.251
100 1HB ASP 12 1HB ASP 12 -0.538 6.680 -1.774
101 2HB ASP 12 2HB ASP 12 -1.796 6.217 -0.635
102 H GLY 13 H GLY 13 -0.892 6.024 1.889
103 1HA GLY 13 1HA GLY 13 -1.580 7.022 4.179
104 2HA GLY 13 2HA GLY 13 -2.960 7.604 3.261
105 H GLY 14 H GLY 14 -1.273 4.482 3.089
106 1HA GLY 14 1HA GLY 14 -2.108 2.353 3.039
107 2HA GLY 14 2HA GLY 14 -2.770 2.836 4.592
108 HA PRO 15 HA PRO 15 -6.516 1.308 2.524
109 1HB PRO 15 1HB PRO 15 -7.483 2.254 5.178
110 2HB PRO 15 2HB PRO 15 -7.842 0.757 4.328
111 1HG PRO 15 1HG PRO 15 -6.148 0.771 6.369
112 2HG PRO 15 2HG PRO 15 -5.808 -0.209 4.931
113 1HD PRO 15 1HD PRO 15 -4.598 2.390 5.775
114 2HD PRO 15 2HD PRO 15 -3.848 1.013 4.951
115 H SER 16 H SER 16 -6.241 4.322 4.390
116 HA SER 16 HA SER 16 -8.567 5.518 3.362
117 1HB SER 16 1HB SER 16 -7.183 6.183 5.433
118 2HB SER 16 2HB SER 16 -6.182 7.096 4.303
119 HG SER 16 HG SER 16 -7.761 8.494 4.011
120 H SER 17 H SER 17 -5.376 5.187 2.020
121 HA SER 17 HA SER 17 -5.080 7.321 0.338
122 1HB SER 17 1HB SER 17 -3.698 5.947 -1.050
123 2HB SER 17 2HB SER 17 -3.505 5.360 0.600
124 HG SER 17 HG SER 17 -4.323 4.020 -1.556
125 H GLY 18 H GLY 18 -6.938 4.363 -0.373
126 1HA GLY 18 1HA GLY 18 -9.129 5.377 -1.568
127 2HA GLY 18 2HA GLY 18 -7.939 5.470 -2.858
128 H ARG 19 H ARG 19 -6.513 3.089 -2.149
129 HA ARG 19 HA ARG 19 -8.475 1.079 -3.021
130 1HB ARG 19 1HB ARG 19 -6.568 -0.135 -3.966
131 2HB ARG 19 2HB ARG 19 -6.649 1.502 -4.601
132 1HG ARG 19 1HG ARG 19 -4.539 1.803 -4.006
133 2HG ARG 19 2HG ARG 19 -5.013 1.622 -2.318
134 1HD ARG 19 1HD ARG 19 -3.503 -0.067 -2.414
135 2HD ARG 19 2HD ARG 19 -4.917 -0.953 -2.977
136 HE ARG 19 HE ARG 19 -3.520 0.226 -5.149
137 1HH1 ARG 19 1HH1 ARG 19 -3.380 -2.456 -2.902
138 2HH1 ARG 19 2HH1 ARG 19 -2.471 -3.466 -3.974
139 1HH2 ARG 19 1HH2 ARG 19 -2.321 -1.109 -6.558
140 2HH2 ARG 19 2HH2 ARG 19 -1.870 -2.703 -6.050
141 HA PRO 20 HA PRO 20 -7.868 -1.279 0.674
142 1HB PRO 20 1HB PRO 20 -7.968 -3.791 -0.805
143 2HB PRO 20 2HB PRO 20 -9.174 -3.090 0.276
144 1HG PRO 20 1HG PRO 20 -9.548 -3.302 -2.401
145 2HG PRO 20 2HG PRO 20 -10.262 -2.004 -1.427
146 1HD PRO 20 1HD PRO 20 -7.833 -1.941 -3.180
147 2HD PRO 20 2HD PRO 20 -9.118 -0.728 -2.989
148 HA PRO 21 HA PRO 21 -3.734 -2.686 1.332
149 1HB PRO 21 1HB PRO 21 -4.748 -5.325 2.246
150 2HB PRO 21 2HB PRO 21 -3.696 -4.171 3.073
151 1HG PRO 21 1HG PRO 21 -6.262 -4.467 3.773
152 2HG PRO 21 2HG PRO 21 -5.466 -2.885 3.814
153 1HD PRO 21 1HD PRO 21 -7.423 -3.973 1.850
154 2HD PRO 21 2HD PRO 21 -7.208 -2.310 2.429
155 HA PRO 22 HA PRO 22 -2.692 -4.997 -2.317
156 1HB PRO 22 1HB PRO 22 -0.047 -5.401 -1.792
157 2HB PRO 22 2HB PRO 22 -0.704 -3.866 -2.367
158 1HG PRO 22 1HG PRO 22 0.026 -4.693 0.410
159 2HG PRO 22 2HG PRO 22 0.300 -3.144 -0.406
160 1HD PRO 22 1HD PRO 22 -1.709 -3.527 1.371
161 2HD PRO 22 2HD PRO 22 -1.846 -2.409 0.001
162 H SER 23 H SER 23 -1.988 -6.200 0.895
163 HA SER 23 HA SER 23 -1.353 -8.867 0.046
164 1HB SER 23 1HB SER 23 -1.555 -9.377 2.520
165 2HB SER 23 2HB SER 23 -0.372 -8.138 2.104
166 HG SER 23 HG SER 23 -2.255 -7.887 3.837
Start of MODEL 11
1 H ALA 1 H ALA 1 4.928 -9.078 -5.746
2 HA ALA 1 HA ALA 1 5.707 -7.919 -3.829
3 1HB ALA 1 1HB ALA 1 4.487 -6.246 -6.017
4 2HB ALA 1 2HB ALA 1 6.129 -6.885 -5.932
5 3HB ALA 1 3HB ALA 1 5.617 -5.617 -4.819
6 H LEU 2 H LEU 2 4.520 -8.204 -1.930
7 HA LEU 2 HA LEU 2 2.132 -6.576 -1.528
8 1HB LEU 2 1HB LEU 2 2.872 -9.082 -0.629
9 2HB LEU 2 2HB LEU 2 3.125 -8.070 0.780
10 HG LEU 2 HG LEU 2 0.532 -8.163 -0.760
11 1HD1 LEU 2 1HD1 LEU 2 -0.311 -9.554 1.076
12 2HD1 LEU 2 2HD1 LEU 2 1.316 -9.636 1.750
13 3HD1 LEU 2 3HD1 LEU 2 0.977 -10.356 0.176
14 1HD2 LEU 2 1HD2 LEU 2 1.302 -7.010 1.917
15 2HD2 LEU 2 2HD2 LEU 2 -0.356 -7.160 1.333
16 3HD2 LEU 2 3HD2 LEU 2 0.789 -6.124 0.481
17 H GLN 3 H GLN 3 5.240 -7.123 0.147
18 HA GLN 3 HA GLN 3 4.971 -4.887 1.873
19 1HB GLN 3 1HB GLN 3 7.399 -6.490 1.057
20 2HB GLN 3 2HB GLN 3 7.416 -5.251 2.305
21 1HG GLN 3 1HG GLN 3 5.300 -7.146 2.775
22 2HG GLN 3 2HG GLN 3 6.854 -7.961 2.611
23 1HE2 GLN 3 1HE2 GLN 3 8.436 -7.640 4.145
24 2HE2 GLN 3 2HE2 GLN 3 8.139 -6.828 5.644
25 H GLU 4 H GLU 4 6.611 -5.362 -1.232
26 HA GLU 4 HA GLU 4 7.991 -2.932 -1.347
27 1HB GLU 4 1HB GLU 4 6.833 -4.584 -3.600
28 2HB GLU 4 2HB GLU 4 7.976 -3.267 -3.815
29 1HG GLU 4 1HG GLU 4 9.712 -4.560 -3.322
30 2HG GLU 4 2HG GLU 4 8.918 -5.221 -1.892
31 H LEU 5 H LEU 5 4.757 -3.765 -2.596
32 HA LEU 5 HA LEU 5 4.202 -1.111 -3.495
33 1HB LEU 5 1HB LEU 5 3.124 -3.530 -4.035
34 2HB LEU 5 2HB LEU 5 1.938 -2.913 -2.903
35 HG LEU 5 HG LEU 5 2.806 -1.389 -5.354
36 1HD1 LEU 5 1HD1 LEU 5 1.836 -3.513 -6.046
37 2HD1 LEU 5 2HD1 LEU 5 0.750 -2.172 -6.411
38 3HD1 LEU 5 3HD1 LEU 5 0.430 -3.215 -5.025
39 1HD2 LEU 5 1HD2 LEU 5 0.645 -1.072 -3.303
40 2HD2 LEU 5 2HD2 LEU 5 0.479 -0.377 -4.915
41 3HD2 LEU 5 3HD2 LEU 5 1.819 0.112 -3.877
42 H LEU 6 H LEU 6 3.797 -2.801 -0.475
43 HA LEU 6 HA LEU 6 1.779 -1.329 0.749
44 1HB LEU 6 1HB LEU 6 3.645 -3.244 1.494
45 2HB LEU 6 2HB LEU 6 3.932 -1.914 2.584
46 HG LEU 6 HG LEU 6 2.361 -3.644 3.460
47 1HD1 LEU 6 1HD1 LEU 6 0.597 -1.970 4.152
48 2HD1 LEU 6 2HD1 LEU 6 1.430 -0.808 3.119
49 3HD1 LEU 6 3HD1 LEU 6 2.270 -1.528 4.491
50 1HD2 LEU 6 1HD2 LEU 6 0.139 -3.825 2.594
51 2HD2 LEU 6 2HD2 LEU 6 1.267 -4.107 1.268
52 3HD2 LEU 6 3HD2 LEU 6 0.443 -2.554 1.409
53 H GLY 7 H GLY 7 5.259 -0.629 0.533
54 1HA GLY 7 1HA GLY 7 5.234 1.655 2.199
55 2HA GLY 7 2HA GLY 7 6.435 1.295 0.975
56 H GLN 8 H GLN 8 4.513 1.174 -1.196
57 HA GLN 8 HA GLN 8 4.403 4.002 -1.807
58 1HB GLN 8 1HB GLN 8 4.904 2.313 -3.557
59 2HB GLN 8 2HB GLN 8 3.295 1.640 -3.352
60 1HG GLN 8 1HG GLN 8 3.570 3.142 -5.324
61 2HG GLN 8 2HG GLN 8 2.270 3.593 -4.224
62 1HE2 GLN 8 1HE2 GLN 8 5.643 4.293 -5.026
63 2HE2 GLN 8 2HE2 GLN 8 5.588 5.962 -4.574
64 H TRP 9 H TRP 9 2.194 1.405 -1.047
65 HA TRP 9 HA TRP 9 -0.261 2.758 -1.290
66 1HB TRP 9 1HB TRP 9 0.031 0.303 -1.183
67 2HB TRP 9 2HB TRP 9 0.537 0.448 0.490
68 HD1 TRP 9 HD1 TRP 9 -2.555 1.904 -1.336
69 HE1 TRP 9 HE1 TRP 9 -4.642 1.249 0.036
70 HE3 TRP 9 HE3 TRP 9 -0.274 -0.829 2.290
71 HZ2 TRP 9 HZ2 TRP 9 -5.214 -0.242 2.383
72 HZ3 TRP 9 HZ3 TRP 9 -1.641 -1.829 4.073
73 HH2 TRP 9 HH2 TRP 9 -4.061 -1.528 4.112
74 H LEU 10 H LEU 10 2.019 2.296 1.350
75 HA LEU 10 HA LEU 10 0.457 3.532 3.377
76 1HB LEU 10 1HB LEU 10 2.395 1.955 3.717
77 2HB LEU 10 2HB LEU 10 3.460 3.289 3.312
78 HG LEU 10 HG LEU 10 2.461 4.558 5.243
79 1HD1 LEU 10 1HD1 LEU 10 0.384 3.385 5.507
80 2HD1 LEU 10 2HD1 LEU 10 1.337 3.184 6.977
81 3HD1 LEU 10 3HD1 LEU 10 1.229 1.867 5.810
82 1HD2 LEU 10 1HD2 LEU 10 3.783 3.406 6.917
83 2HD2 LEU 10 2HD2 LEU 10 4.632 3.410 5.370
84 3HD2 LEU 10 3HD2 LEU 10 3.812 1.950 5.923
85 H LYS 11 H LYS 11 2.749 4.752 1.005
86 HA LYS 11 HA LYS 11 3.267 7.271 2.119
87 1HB LYS 11 1HB LYS 11 3.352 6.133 -0.639
88 2HB LYS 11 2HB LYS 11 3.435 7.880 -0.464
89 1HG LYS 11 1HG LYS 11 5.447 7.782 0.722
90 2HG LYS 11 2HG LYS 11 5.264 6.060 1.063
91 1HD LYS 11 1HD LYS 11 6.881 6.148 -0.629
92 2HD LYS 11 2HD LYS 11 5.388 5.733 -1.474
93 1HE LYS 11 1HE LYS 11 5.174 7.855 -2.399
94 2HE LYS 11 2HE LYS 11 6.231 8.593 -1.195
95 1HZ LYS 11 1HZ LYS 11 7.235 8.354 -3.436
96 2HZ LYS 11 2HZ LYS 11 7.170 6.674 -3.257
97 3HZ LYS 11 3HZ LYS 11 8.125 7.599 -2.210
98 H ASP 12 H ASP 12 0.517 6.034 0.350
99 HA ASP 12 HA ASP 12 -0.708 8.688 0.223
100 1HB ASP 12 1HB ASP 12 -0.642 6.871 -1.688
101 2HB ASP 12 2HB ASP 12 -2.029 6.212 -0.829
102 H GLY 13 H GLY 13 -0.349 7.200 2.776
103 1HA GLY 13 1HA GLY 13 -1.575 7.088 4.725
104 2HA GLY 13 2HA GLY 13 -2.986 7.617 3.823
105 H GLY 14 H GLY 14 -1.040 4.772 3.061
106 1HA GLY 14 1HA GLY 14 -1.673 2.593 2.732
107 2HA GLY 14 2HA GLY 14 -2.237 2.747 4.387
108 HA PRO 15 HA PRO 15 -6.076 1.253 2.549
109 1HB PRO 15 1HB PRO 15 -6.942 2.066 5.279
110 2HB PRO 15 2HB PRO 15 -7.272 0.581 4.400
111 1HG PRO 15 1HG PRO 15 -5.476 0.618 6.352
112 2HG PRO 15 2HG PRO 15 -5.164 -0.299 4.866
113 1HD PRO 15 1HD PRO 15 -4.052 2.337 5.731
114 2HD PRO 15 2HD PRO 15 -3.265 1.025 4.838
115 H SER 16 H SER 16 -5.794 4.235 4.456
116 HA SER 16 HA SER 16 -8.237 5.365 3.722
117 1HB SER 16 1HB SER 16 -6.567 6.117 5.542
118 2HB SER 16 2HB SER 16 -5.782 7.027 4.250
119 HG SER 16 HG SER 16 -7.421 8.380 4.188
120 H SER 17 H SER 17 -5.304 5.038 1.906
121 HA SER 17 HA SER 17 -5.316 7.143 0.148
122 1HB SER 17 1HB SER 17 -4.157 5.710 -1.423
123 2HB SER 17 2HB SER 17 -3.631 5.294 0.207
124 HG SER 17 HG SER 17 -4.355 3.572 -1.438
125 H GLY 18 H GLY 18 -7.339 4.243 0.037
126 1HA GLY 18 1HA GLY 18 -9.650 4.949 -0.894
127 2HA GLY 18 2HA GLY 18 -8.715 5.279 -2.347
128 H ARG 19 H ARG 19 -6.927 3.138 -2.253
129 HA ARG 19 HA ARG 19 -8.717 0.933 -2.961
130 1HB ARG 19 1HB ARG 19 -6.792 0.003 -4.161
131 2HB ARG 19 2HB ARG 19 -7.120 1.651 -4.673
132 1HG ARG 19 1HG ARG 19 -5.223 2.490 -3.632
133 2HG ARG 19 2HG ARG 19 -5.080 1.100 -2.555
134 1HD ARG 19 1HD ARG 19 -3.521 0.370 -3.980
135 2HD ARG 19 2HD ARG 19 -4.870 -0.049 -5.034
136 HE ARG 19 HE ARG 19 -3.042 2.193 -5.326
137 1HH1 ARG 19 1HH1 ARG 19 -5.989 0.639 -6.418
138 2HH1 ARG 19 2HH1 ARG 19 -6.018 1.487 -7.925
139 1HH2 ARG 19 1HH2 ARG 19 -3.093 3.304 -7.315
140 2HH2 ARG 19 2HH2 ARG 19 -4.377 2.998 -8.435
141 HA PRO 20 HA PRO 20 -7.550 -1.508 0.531
142 1HB PRO 20 1HB PRO 20 -7.686 -4.020 -0.476
143 2HB PRO 20 2HB PRO 20 -9.123 -3.038 -0.166
144 1HG PRO 20 1HG PRO 20 -7.683 -3.527 -2.745
145 2HG PRO 20 2HG PRO 20 -9.427 -3.510 -2.423
146 1HD PRO 20 1HD PRO 20 -8.120 -1.407 -3.528
147 2HD PRO 20 2HD PRO 20 -9.544 -1.212 -2.487
148 HA PRO 21 HA PRO 21 -3.284 -2.598 0.814
149 1HB PRO 21 1HB PRO 21 -4.063 -5.418 1.390
150 2HB PRO 21 2HB PRO 21 -2.984 -4.341 2.282
151 1HG PRO 21 1HG PRO 21 -5.456 -4.855 3.154
152 2HG PRO 21 2HG PRO 21 -4.726 -3.252 3.341
153 1HD PRO 21 1HD PRO 21 -6.839 -4.162 1.463
154 2HD PRO 21 2HD PRO 21 -6.584 -2.565 2.190
155 HA PRO 22 HA PRO 22 -2.368 -4.340 -3.189
156 1HB PRO 22 1HB PRO 22 0.322 -4.115 -3.097
157 2HB PRO 22 2HB PRO 22 -0.735 -2.713 -3.293
158 1HG PRO 22 1HG PRO 22 0.619 -3.736 -0.828
159 2HG PRO 22 2HG PRO 22 0.445 -2.067 -1.399
160 1HD PRO 22 1HD PRO 22 -1.136 -3.158 0.533
161 2HD PRO 22 2HD PRO 22 -1.680 -1.870 -0.555
162 H SER 23 H SER 23 -3.179 -6.422 -2.064
163 HA SER 23 HA SER 23 -0.952 -8.328 -1.898
164 1HB SER 23 1HB SER 23 -2.510 -9.688 -0.405
165 2HB SER 23 2HB SER 23 -1.842 -8.218 0.301
166 HG SER 23 HG SER 23 -3.773 -7.291 0.252
Start of MODEL 12
1 H ALA 1 H ALA 1 5.367 -6.120 -6.840
2 HA ALA 1 HA ALA 1 6.207 -7.982 -4.720
3 1HB ALA 1 1HB ALA 1 8.047 -6.611 -5.528
4 2HB ALA 1 2HB ALA 1 7.552 -6.099 -3.915
5 3HB ALA 1 3HB ALA 1 7.071 -5.156 -5.326
6 H LEU 2 H LEU 2 4.483 -8.190 -3.424
7 HA LEU 2 HA LEU 2 2.486 -6.168 -3.122
8 1HB LEU 2 1HB LEU 2 2.999 -8.641 -1.465
9 2HB LEU 2 2HB LEU 2 1.560 -7.645 -1.382
10 HG LEU 2 HG LEU 2 2.450 -9.290 -3.753
11 1HD1 LEU 2 1HD1 LEU 2 1.562 -10.635 -1.934
12 2HD1 LEU 2 2HD1 LEU 2 0.431 -10.593 -3.286
13 3HD1 LEU 2 3HD1 LEU 2 0.130 -9.609 -1.854
14 1HD2 LEU 2 1HD2 LEU 2 0.055 -8.642 -4.504
15 2HD2 LEU 2 2HD2 LEU 2 1.374 -7.496 -4.745
16 3HD2 LEU 2 3HD2 LEU 2 0.258 -7.284 -3.396
17 H GLN 3 H GLN 3 5.124 -7.363 -1.051
18 HA GLN 3 HA GLN 3 4.610 -5.707 1.163
19 1HB GLN 3 1HB GLN 3 6.568 -7.614 0.421
20 2HB GLN 3 2HB GLN 3 7.433 -6.153 0.875
21 1HG GLN 3 1HG GLN 3 7.291 -7.105 2.917
22 2HG GLN 3 2HG GLN 3 5.748 -6.253 2.923
23 1HE2 GLN 3 1HE2 GLN 3 7.309 -9.270 3.090
24 2HE2 GLN 3 2HE2 GLN 3 5.895 -10.265 3.129
25 H GLU 4 H GLU 4 6.646 -5.226 -1.704
26 HA GLU 4 HA GLU 4 7.741 -2.739 -0.939
27 1HB GLU 4 1HB GLU 4 8.457 -4.321 -2.849
28 2HB GLU 4 2HB GLU 4 7.209 -3.523 -3.796
29 1HG GLU 4 1HG GLU 4 8.318 -1.363 -3.388
30 2HG GLU 4 2HG GLU 4 9.594 -2.209 -2.515
31 H LEU 5 H LEU 5 4.786 -3.630 -2.658
32 HA LEU 5 HA LEU 5 3.997 -1.049 -3.461
33 1HB LEU 5 1HB LEU 5 3.058 -3.456 -4.023
34 2HB LEU 5 2HB LEU 5 1.963 -3.098 -2.702
35 HG LEU 5 HG LEU 5 2.292 -1.338 -5.133
36 1HD1 LEU 5 1HD1 LEU 5 1.416 -3.549 -5.743
37 2HD1 LEU 5 2HD1 LEU 5 0.208 -2.279 -5.933
38 3HD1 LEU 5 3HD1 LEU 5 0.137 -3.362 -4.543
39 1HD2 LEU 5 1HD2 LEU 5 -0.092 -0.694 -4.210
40 2HD2 LEU 5 2HD2 LEU 5 1.371 0.053 -3.567
41 3HD2 LEU 5 3HD2 LEU 5 0.595 -1.265 -2.688
42 H LEU 6 H LEU 6 3.639 -2.790 -0.428
43 HA LEU 6 HA LEU 6 1.665 -1.320 0.845
44 1HB LEU 6 1HB LEU 6 3.167 -3.354 1.553
45 2HB LEU 6 2HB LEU 6 4.079 -2.124 2.386
46 HG LEU 6 HG LEU 6 2.499 -3.192 3.897
47 1HD1 LEU 6 1HD1 LEU 6 1.594 -1.264 4.874
48 2HD1 LEU 6 2HD1 LEU 6 1.424 -0.449 3.320
49 3HD1 LEU 6 3HD1 LEU 6 3.026 -0.705 4.011
50 1HD2 LEU 6 1HD2 LEU 6 0.102 -3.021 3.574
51 2HD2 LEU 6 2HD2 LEU 6 0.844 -3.873 2.219
52 3HD2 LEU 6 3HD2 LEU 6 0.349 -2.191 2.039
53 H GLY 7 H GLY 7 5.179 -0.679 0.799
54 1HA GLY 7 1HA GLY 7 5.103 1.635 2.396
55 2HA GLY 7 2HA GLY 7 6.349 1.251 1.228
56 H GLN 8 H GLN 8 4.418 1.102 -0.981
57 HA GLN 8 HA GLN 8 4.394 3.925 -1.658
58 1HB GLN 8 1HB GLN 8 4.274 1.437 -3.091
59 2HB GLN 8 2HB GLN 8 2.889 2.418 -3.549
60 1HG GLN 8 1HG GLN 8 4.723 2.812 -5.058
61 2HG GLN 8 2HG GLN 8 4.395 4.266 -4.115
62 1HE2 GLN 8 1HE2 GLN 8 5.946 5.068 -2.774
63 2HE2 GLN 8 2HE2 GLN 8 7.542 4.409 -2.649
64 H TRP 9 H TRP 9 2.171 1.392 -0.811
65 HA TRP 9 HA TRP 9 -0.284 2.727 -1.172
66 1HB TRP 9 1HB TRP 9 0.037 0.272 -0.950
67 2HB TRP 9 2HB TRP 9 0.473 0.503 0.733
68 HD1 TRP 9 HD1 TRP 9 -2.546 1.738 -1.346
69 HE1 TRP 9 HE1 TRP 9 -4.688 1.166 -0.024
70 HE3 TRP 9 HE3 TRP 9 -0.400 -0.552 2.651
71 HZ2 TRP 9 HZ2 TRP 9 -5.350 -0.094 2.433
72 HZ3 TRP 9 HZ3 TRP 9 -1.837 -1.399 4.456
73 HH2 TRP 9 HH2 TRP 9 -4.261 -1.164 4.343
74 H LEU 10 H LEU 10 1.933 2.357 1.538
75 HA LEU 10 HA LEU 10 0.330 3.703 3.466
76 1HB LEU 10 1HB LEU 10 2.539 2.153 3.608
77 2HB LEU 10 2HB LEU 10 3.267 3.736 3.801
78 HG LEU 10 HG LEU 10 2.761 2.633 5.952
79 1HD1 LEU 10 1HD1 LEU 10 1.998 4.550 7.033
80 2HD1 LEU 10 2HD1 LEU 10 0.976 5.024 5.677
81 3HD1 LEU 10 3HD1 LEU 10 2.730 5.162 5.550
82 1HD2 LEU 10 1HD2 LEU 10 0.657 1.521 5.048
83 2HD2 LEU 10 2HD2 LEU 10 -0.147 3.064 5.334
84 3HD2 LEU 10 3HD2 LEU 10 0.572 2.182 6.680
85 H LYS 11 H LYS 11 2.837 4.755 1.211
86 HA LYS 11 HA LYS 11 3.373 7.297 2.183
87 1HB LYS 11 1HB LYS 11 3.405 6.085 -0.553
88 2HB LYS 11 2HB LYS 11 3.643 7.818 -0.386
89 1HG LYS 11 1HG LYS 11 5.276 6.035 1.331
90 2HG LYS 11 2HG LYS 11 5.660 6.106 -0.390
91 1HD LYS 11 1HD LYS 11 5.255 8.670 1.063
92 2HD LYS 11 2HD LYS 11 6.749 7.776 1.356
93 1HE LYS 11 1HE LYS 11 7.525 8.835 -0.456
94 2HE LYS 11 2HE LYS 11 6.548 7.689 -1.371
95 1HZ LYS 11 1HZ LYS 11 4.763 9.277 -1.451
96 2HZ LYS 11 2HZ LYS 11 6.173 10.009 -2.030
97 3HZ LYS 11 3HZ LYS 11 5.616 10.363 -0.473
98 H ASP 12 H ASP 12 0.750 6.234 0.038
99 HA ASP 12 HA ASP 12 -0.371 8.843 -0.280
100 1HB ASP 12 1HB ASP 12 -0.672 6.799 -1.813
101 2HB ASP 12 2HB ASP 12 -1.874 6.253 -0.651
102 H GLY 13 H GLY 13 -1.018 6.092 1.841
103 1HA GLY 13 1HA GLY 13 -1.707 7.102 4.144
104 2HA GLY 13 2HA GLY 13 -3.116 7.612 3.227
105 H GLY 14 H GLY 14 -1.295 4.565 3.083
106 1HA GLY 14 1HA GLY 14 -2.054 2.402 3.049
107 2HA GLY 14 2HA GLY 14 -2.693 2.869 4.615
108 HA PRO 15 HA PRO 15 -6.455 1.219 2.708
109 1HB PRO 15 1HB PRO 15 -7.410 2.248 5.334
110 2HB PRO 15 2HB PRO 15 -7.731 0.703 4.555
111 1HG PRO 15 1HG PRO 15 -6.011 0.857 6.567
112 2HG PRO 15 2HG PRO 15 -5.656 -0.168 5.164
113 1HD PRO 15 1HD PRO 15 -4.540 2.513 5.877
114 2HD PRO 15 2HD PRO 15 -3.739 1.125 5.124
115 H SER 16 H SER 16 -6.307 4.305 4.497
116 HA SER 16 HA SER 16 -8.661 5.364 3.367
117 1HB SER 16 1HB SER 16 -8.153 7.366 4.484
118 2HB SER 16 2HB SER 16 -7.394 6.128 5.483
119 HG SER 16 HG SER 16 -6.249 8.123 3.951
120 H SER 17 H SER 17 -5.479 5.057 2.076
121 HA SER 17 HA SER 17 -5.216 7.216 0.379
122 1HB SER 17 1HB SER 17 -3.663 5.935 -0.855
123 2HB SER 17 2HB SER 17 -3.589 5.269 0.774
124 HG SER 17 HG SER 17 -4.754 3.516 0.107
125 H GLY 18 H GLY 18 -7.185 4.318 -0.046
126 1HA GLY 18 1HA GLY 18 -9.282 5.032 -1.390
127 2HA GLY 18 2HA GLY 18 -8.098 5.295 -2.664
128 H ARG 19 H ARG 19 -6.414 3.118 -2.218
129 HA ARG 19 HA ARG 19 -8.120 0.935 -3.162
130 1HB ARG 19 1HB ARG 19 -6.074 -0.060 -4.028
131 2HB ARG 19 2HB ARG 19 -6.208 1.607 -4.568
132 1HG ARG 19 1HG ARG 19 -4.479 2.326 -3.205
133 2HG ARG 19 2HG ARG 19 -4.623 0.940 -2.122
134 1HD ARG 19 1HD ARG 19 -3.871 0.489 -4.972
135 2HD ARG 19 2HD ARG 19 -2.657 1.101 -3.852
136 HE ARG 19 HE ARG 19 -2.772 -0.916 -2.650
137 1HH1 ARG 19 1HH1 ARG 19 -4.880 -0.958 -5.455
138 2HH1 ARG 19 2HH1 ARG 19 -5.049 -2.679 -5.448
139 1HH2 ARG 19 1HH2 ARG 19 -3.006 -3.179 -2.655
140 2HH2 ARG 19 2HH2 ARG 19 -3.988 -3.939 -3.862
141 HA PRO 20 HA PRO 20 -7.510 -1.508 0.473
142 1HB PRO 20 1HB PRO 20 -7.466 -4.023 -0.485
143 2HB PRO 20 2HB PRO 20 -8.928 -3.031 -0.530
144 1HG PRO 20 1HG PRO 20 -6.964 -3.611 -2.712
145 2HG PRO 20 2HG PRO 20 -8.736 -3.563 -2.784
146 1HD PRO 20 1HD PRO 20 -7.132 -1.508 -3.605
147 2HD PRO 20 2HD PRO 20 -8.786 -1.282 -3.006
148 HA PRO 21 HA PRO 21 -3.297 -2.472 1.339
149 1HB PRO 21 1HB PRO 21 -4.068 -5.087 2.476
150 2HB PRO 21 2HB PRO 21 -3.251 -3.718 3.236
151 1HG PRO 21 1HG PRO 21 -5.812 -4.324 3.784
152 2HG PRO 21 2HG PRO 21 -5.228 -2.651 3.750
153 1HD PRO 21 1HD PRO 21 -6.840 -4.139 1.731
154 2HD PRO 21 2HD PRO 21 -6.926 -2.434 2.210
155 HA PRO 22 HA PRO 22 -2.096 -5.153 -2.025
156 1HB PRO 22 1HB PRO 22 0.529 -4.563 -2.015
157 2HB PRO 22 2HB PRO 22 -0.687 -3.426 -2.609
158 1HG PRO 22 1HG PRO 22 0.746 -3.476 0.009
159 2HG PRO 22 2HG PRO 22 0.298 -2.090 -0.999
160 1HD PRO 22 1HD PRO 22 -1.095 -2.924 1.232
161 2HD PRO 22 2HD PRO 22 -1.786 -1.955 -0.078
162 H SER 23 H SER 23 -0.399 -5.155 1.069
163 HA SER 23 HA SER 23 -0.062 -8.053 0.837
164 1HB SER 23 1HB SER 23 2.171 -7.775 2.023
165 2HB SER 23 2HB SER 23 2.125 -7.249 0.343
166 HG SER 23 HG SER 23 2.112 -5.150 0.994
Start of MODEL 13
1 H ALA 1 H ALA 1 4.310 -7.294 -6.155
2 HA ALA 1 HA ALA 1 5.516 -8.372 -4.422
3 1HB ALA 1 1HB ALA 1 7.676 -7.590 -4.460
4 2HB ALA 1 2HB ALA 1 7.027 -6.726 -3.068
5 3HB ALA 1 3HB ALA 1 7.181 -5.905 -4.621
6 H LEU 2 H LEU 2 4.474 -8.370 -2.491
7 HA LEU 2 HA LEU 2 2.312 -6.552 -2.128
8 1HB LEU 2 1HB LEU 2 3.392 -8.503 -0.099
9 2HB LEU 2 2HB LEU 2 1.781 -7.816 -0.154
10 HG LEU 2 HG LEU 2 2.945 -9.793 -2.119
11 1HD1 LEU 2 1HD1 LEU 2 0.842 -10.044 0.021
12 2HD1 LEU 2 2HD1 LEU 2 2.403 -10.861 -0.049
13 3HD1 LEU 2 3HD1 LEU 2 1.148 -11.257 -1.222
14 1HD2 LEU 2 1HD2 LEU 2 0.435 -9.818 -2.819
15 2HD2 LEU 2 2HD2 LEU 2 1.514 -8.578 -3.457
16 3HD2 LEU 2 3HD2 LEU 2 0.420 -8.196 -2.127
17 H GLN 3 H GLN 3 5.359 -7.088 -0.361
18 HA GLN 3 HA GLN 3 4.931 -5.013 1.531
19 1HB GLN 3 1HB GLN 3 7.302 -6.637 0.685
20 2HB GLN 3 2HB GLN 3 7.534 -5.242 1.728
21 1HG GLN 3 1HG GLN 3 7.366 -7.095 3.157
22 2HG GLN 3 2HG GLN 3 5.817 -6.261 3.269
23 1HE2 GLN 3 1HE2 GLN 3 7.481 -9.018 1.859
24 2HE2 GLN 3 2HE2 GLN 3 6.065 -9.984 1.620
25 H GLU 4 H GLU 4 6.602 -5.150 -1.586
26 HA GLU 4 HA GLU 4 7.821 -2.625 -1.505
27 1HB GLU 4 1HB GLU 4 8.146 -4.549 -3.188
28 2HB GLU 4 2HB GLU 4 6.766 -3.865 -4.034
29 1HG GLU 4 1HG GLU 4 7.906 -1.953 -4.629
30 2HG GLU 4 2HG GLU 4 9.083 -2.124 -3.328
31 H LEU 5 H LEU 5 4.638 -3.616 -2.757
32 HA LEU 5 HA LEU 5 3.887 -0.994 -3.586
33 1HB LEU 5 1HB LEU 5 2.919 -3.470 -4.094
34 2HB LEU 5 2HB LEU 5 1.752 -2.921 -2.907
35 HG LEU 5 HG LEU 5 2.422 -1.477 -5.474
36 1HD1 LEU 5 1HD1 LEU 5 -0.144 -2.891 -4.829
37 2HD1 LEU 5 2HD1 LEU 5 1.195 -3.704 -5.637
38 3HD1 LEU 5 3HD1 LEU 5 0.432 -2.304 -6.388
39 1HD2 LEU 5 1HD2 LEU 5 1.708 0.164 -3.968
40 2HD2 LEU 5 2HD2 LEU 5 0.516 -0.904 -3.227
41 3HD2 LEU 5 3HD2 LEU 5 0.247 -0.275 -4.853
42 H LEU 6 H LEU 6 3.597 -2.799 -0.597
43 HA LEU 6 HA LEU 6 1.613 -1.361 0.724
44 1HB LEU 6 1HB LEU 6 3.597 -3.264 1.366
45 2HB LEU 6 2HB LEU 6 3.689 -2.004 2.567
46 HG LEU 6 HG LEU 6 2.209 -4.001 3.102
47 1HD1 LEU 6 1HD1 LEU 6 1.981 -2.181 4.519
48 2HD1 LEU 6 2HD1 LEU 6 0.338 -2.442 3.935
49 3HD1 LEU 6 3HD1 LEU 6 1.321 -1.148 3.252
50 1HD2 LEU 6 1HD2 LEU 6 1.173 -4.138 0.853
51 2HD2 LEU 6 2HD2 LEU 6 0.332 -2.626 1.190
52 3HD2 LEU 6 3HD2 LEU 6 -0.003 -4.056 2.164
53 H GLY 7 H GLY 7 5.110 -0.715 0.523
54 1HA GLY 7 1HA GLY 7 5.111 1.517 2.261
55 2HA GLY 7 2HA GLY 7 6.324 1.164 1.047
56 H GLN 8 H GLN 8 4.539 1.178 -1.192
57 HA GLN 8 HA GLN 8 4.481 4.015 -1.711
58 1HB GLN 8 1HB GLN 8 3.307 1.749 -3.347
59 2HB GLN 8 2HB GLN 8 3.581 3.392 -3.906
60 1HG GLN 8 1HG GLN 8 5.587 1.252 -3.307
61 2HG GLN 8 2HG GLN 8 5.345 2.158 -4.799
62 1HE2 GLN 8 1HE2 GLN 8 5.753 4.546 -4.610
63 2HE2 GLN 8 2HE2 GLN 8 7.105 5.040 -3.651
64 H TRP 9 H TRP 9 2.208 1.478 -1.013
65 HA TRP 9 HA TRP 9 -0.216 2.880 -1.302
66 1HB TRP 9 1HB TRP 9 -0.004 0.436 -1.281
67 2HB TRP 9 2HB TRP 9 0.549 0.487 0.382
68 HD1 TRP 9 HD1 TRP 9 -2.573 1.937 -1.385
69 HE1 TRP 9 HE1 TRP 9 -4.635 1.297 0.033
70 HE3 TRP 9 HE3 TRP 9 -0.209 -0.673 2.281
71 HZ2 TRP 9 HZ2 TRP 9 -5.156 -0.142 2.424
72 HZ3 TRP 9 HZ3 TRP 9 -1.542 -1.639 4.108
73 HH2 TRP 9 HH2 TRP 9 -3.965 -1.362 4.172
74 H LEU 10 H LEU 10 1.934 2.240 1.420
75 HA LEU 10 HA LEU 10 0.344 3.451 3.428
76 1HB LEU 10 1HB LEU 10 2.427 1.853 3.569
77 2HB LEU 10 2HB LEU 10 3.321 3.359 3.639
78 HG LEU 10 HG LEU 10 1.423 3.802 5.540
79 1HD1 LEU 10 1HD1 LEU 10 0.542 1.521 5.294
80 2HD1 LEU 10 2HD1 LEU 10 1.213 1.809 6.900
81 3HD1 LEU 10 3HD1 LEU 10 2.129 0.876 5.716
82 1HD2 LEU 10 1HD2 LEU 10 3.811 4.201 5.774
83 2HD2 LEU 10 2HD2 LEU 10 4.104 2.465 5.904
84 3HD2 LEU 10 3HD2 LEU 10 3.194 3.304 7.161
85 H LYS 11 H LYS 11 2.788 4.728 1.231
86 HA LYS 11 HA LYS 11 3.285 7.179 2.482
87 1HB LYS 11 1HB LYS 11 4.514 7.657 0.643
88 2HB LYS 11 2HB LYS 11 4.221 5.972 0.244
89 1HG LYS 11 1HG LYS 11 2.152 6.839 -1.009
90 2HG LYS 11 2HG LYS 11 2.914 8.424 -0.875
91 1HD LYS 11 1HD LYS 11 4.841 7.673 -2.084
92 2HD LYS 11 2HD LYS 11 4.272 6.002 -2.050
93 1HE LYS 11 1HE LYS 11 2.176 7.057 -3.257
94 2HE LYS 11 2HE LYS 11 3.346 8.298 -3.705
95 1HZ LYS 11 1HZ LYS 11 4.727 6.610 -4.710
96 2HZ LYS 11 2HZ LYS 11 3.172 6.535 -5.371
97 3HZ LYS 11 3HZ LYS 11 3.659 5.389 -4.227
98 H ASP 12 H ASP 12 0.572 6.095 0.578
99 HA ASP 12 HA ASP 12 -0.573 8.789 0.510
100 1HB ASP 12 1HB ASP 12 -0.465 7.110 -1.501
101 2HB ASP 12 2HB ASP 12 -1.864 6.374 -0.727
102 H GLY 13 H GLY 13 -0.363 7.404 3.033
103 1HA GLY 13 1HA GLY 13 -1.680 7.215 4.914
104 2HA GLY 13 2HA GLY 13 -3.063 7.684 3.938
105 H GLY 14 H GLY 14 -1.083 4.954 3.019
106 1HA GLY 14 1HA GLY 14 -1.611 2.752 2.713
107 2HA GLY 14 2HA GLY 14 -2.205 2.853 4.362
108 HA PRO 15 HA PRO 15 -6.011 1.345 2.507
109 1HB PRO 15 1HB PRO 15 -6.940 2.227 5.195
110 2HB PRO 15 2HB PRO 15 -7.244 0.715 4.350
111 1HG PRO 15 1HG PRO 15 -5.493 0.806 6.334
112 2HG PRO 15 2HG PRO 15 -5.130 -0.130 4.871
113 1HD PRO 15 1HD PRO 15 -4.093 2.549 5.708
114 2HD PRO 15 2HD PRO 15 -3.250 1.225 4.886
115 H SER 16 H SER 16 -5.800 4.399 4.319
116 HA SER 16 HA SER 16 -8.247 5.453 3.483
117 1HB SER 16 1HB SER 16 -7.534 7.524 4.363
118 2HB SER 16 2HB SER 16 -6.686 6.317 5.329
119 HG SER 16 HG SER 16 -5.696 8.191 3.571
120 H SER 17 H SER 17 -5.247 5.140 1.774
121 HA SER 17 HA SER 17 -5.289 7.172 -0.076
122 1HB SER 17 1HB SER 17 -3.974 5.767 -1.514
123 2HB SER 17 2HB SER 17 -3.533 5.376 0.146
124 HG SER 17 HG SER 17 -4.233 3.674 -1.635
125 H GLY 18 H GLY 18 -7.132 4.143 -0.166
126 1HA GLY 18 1HA GLY 18 -9.452 4.709 -1.184
127 2HA GLY 18 2HA GLY 18 -8.485 5.041 -2.615
128 H ARG 19 H ARG 19 -6.639 3.018 -2.561
129 HA ARG 19 HA ARG 19 -8.270 0.758 -3.345
130 1HB ARG 19 1HB ARG 19 -6.192 -0.192 -4.208
131 2HB ARG 19 2HB ARG 19 -6.391 1.465 -4.761
132 1HG ARG 19 1HG ARG 19 -4.748 2.259 -3.243
133 2HG ARG 19 2HG ARG 19 -4.695 0.714 -2.393
134 1HD ARG 19 1HD ARG 19 -2.766 0.838 -3.791
135 2HD ARG 19 2HD ARG 19 -3.874 -0.333 -4.506
136 HE ARG 19 HE ARG 19 -4.234 2.280 -5.593
137 1HH1 ARG 19 1HH1 ARG 19 -2.196 -0.561 -5.774
138 2HH1 ARG 19 2HH1 ARG 19 -1.718 -0.263 -7.411
139 1HH2 ARG 19 1HH2 ARG 19 -3.603 2.667 -7.749
140 2HH2 ARG 19 2HH2 ARG 19 -2.516 1.570 -8.533
141 HA PRO 20 HA PRO 20 -7.745 -1.635 0.330
142 1HB PRO 20 1HB PRO 20 -7.733 -4.161 -0.665
143 2HB PRO 20 2HB PRO 20 -9.193 -3.169 -0.585
144 1HG PRO 20 1HG PRO 20 -7.383 -3.692 -2.911
145 2HG PRO 20 2HG PRO 20 -9.156 -3.651 -2.858
146 1HD PRO 20 1HD PRO 20 -7.673 -1.574 -3.769
147 2HD PRO 20 2HD PRO 20 -9.232 -1.350 -2.950
148 HA PRO 21 HA PRO 21 -3.520 -2.534 1.217
149 1HB PRO 21 1HB PRO 21 -4.427 -5.151 2.307
150 2HB PRO 21 2HB PRO 21 -3.442 -3.893 3.063
151 1HG PRO 21 1HG PRO 21 -6.006 -4.223 3.730
152 2HG PRO 21 2HG PRO 21 -5.281 -2.609 3.632
153 1HD PRO 21 1HD PRO 21 -7.144 -3.967 1.752
154 2HD PRO 21 2HD PRO 21 -7.006 -2.248 2.159
155 HA PRO 22 HA PRO 22 -2.580 -5.078 -2.398
156 1HB PRO 22 1HB PRO 22 0.137 -4.038 -2.029
157 2HB PRO 22 2HB PRO 22 -0.969 -3.817 -3.386
158 1HG PRO 22 1HG PRO 22 -0.335 -1.811 -1.695
159 2HG PRO 22 2HG PRO 22 -1.924 -1.935 -2.474
160 1HD PRO 22 1HD PRO 22 -1.117 -2.670 0.314
161 2HD PRO 22 2HD PRO 22 -2.586 -1.854 -0.254
162 H SER 23 H SER 23 -2.890 -6.860 -0.745
163 HA SER 23 HA SER 23 -0.363 -8.275 -0.422
164 1HB SER 23 1HB SER 23 -0.969 -7.072 1.744
165 2HB SER 23 2HB SER 23 -2.344 -8.171 1.854
166 HG SER 23 HG SER 23 -1.031 -9.803 2.277
Start of MODEL 14
1 H ALA 1 H ALA 1 8.630 -7.705 -3.925
2 HA ALA 1 HA ALA 1 6.690 -6.771 -4.852
3 1HB ALA 1 1HB ALA 1 6.894 -9.058 -5.311
4 2HB ALA 1 2HB ALA 1 5.227 -8.848 -4.776
5 3HB ALA 1 3HB ALA 1 6.432 -9.509 -3.670
6 H LEU 2 H LEU 2 5.595 -8.449 -1.953
7 HA LEU 2 HA LEU 2 3.208 -6.916 -1.743
8 1HB LEU 2 1HB LEU 2 4.576 -8.799 0.174
9 2HB LEU 2 2HB LEU 2 3.047 -8.018 0.533
10 HG LEU 2 HG LEU 2 3.400 -9.722 -1.920
11 1HD1 LEU 2 1HD1 LEU 2 2.476 -11.595 -0.669
12 2HD1 LEU 2 2HD1 LEU 2 2.513 -10.637 0.811
13 3HD1 LEU 2 3HD1 LEU 2 4.020 -11.082 0.011
14 1HD2 LEU 2 1HD2 LEU 2 1.456 -8.289 -1.913
15 2HD2 LEU 2 2HD2 LEU 2 1.006 -8.855 -0.304
16 3HD2 LEU 2 3HD2 LEU 2 0.954 -9.963 -1.675
17 H GLN 3 H GLN 3 6.204 -6.978 0.191
18 HA GLN 3 HA GLN 3 5.478 -4.820 1.871
19 1HB GLN 3 1HB GLN 3 7.932 -4.727 2.413
20 2HB GLN 3 2HB GLN 3 7.178 -6.295 2.651
21 1HG GLN 3 1HG GLN 3 9.134 -6.896 1.636
22 2HG GLN 3 2HG GLN 3 8.068 -6.770 0.241
23 1HE2 GLN 3 1HE2 GLN 3 10.064 -4.567 2.205
24 2HE2 GLN 3 2HE2 GLN 3 10.809 -3.778 0.858
25 H GLU 4 H GLU 4 6.964 -4.967 -1.295
26 HA GLU 4 HA GLU 4 7.966 -2.304 -1.335
27 1HB GLU 4 1HB GLU 4 8.574 -4.290 -2.874
28 2HB GLU 4 2HB GLU 4 7.138 -3.845 -3.784
29 1HG GLU 4 1HG GLU 4 8.088 -1.565 -4.050
30 2HG GLU 4 2HG GLU 4 9.565 -2.143 -3.280
31 H LEU 5 H LEU 5 4.988 -3.819 -2.553
32 HA LEU 5 HA LEU 5 3.882 -1.436 -3.624
33 1HB LEU 5 1HB LEU 5 3.252 -4.084 -3.778
34 2HB LEU 5 2HB LEU 5 1.994 -3.499 -2.706
35 HG LEU 5 HG LEU 5 2.578 -2.480 -5.487
36 1HD1 LEU 5 1HD1 LEU 5 0.936 -3.798 -6.257
37 2HD1 LEU 5 2HD1 LEU 5 -0.061 -3.571 -4.820
38 3HD1 LEU 5 3HD1 LEU 5 1.252 -4.748 -4.806
39 1HD2 LEU 5 1HD2 LEU 5 0.400 -1.232 -5.091
40 2HD2 LEU 5 2HD2 LEU 5 1.832 -0.612 -4.270
41 3HD2 LEU 5 3HD2 LEU 5 0.647 -1.562 -3.376
42 H LEU 6 H LEU 6 3.798 -2.928 -0.447
43 HA LEU 6 HA LEU 6 1.664 -1.469 0.669
44 1HB LEU 6 1HB LEU 6 3.183 -3.466 1.526
45 2HB LEU 6 2HB LEU 6 3.987 -2.171 2.377
46 HG LEU 6 HG LEU 6 2.354 -3.210 3.826
47 1HD1 LEU 6 1HD1 LEU 6 1.192 -1.289 4.566
48 2HD1 LEU 6 2HD1 LEU 6 1.206 -0.572 2.955
49 3HD1 LEU 6 3HD1 LEU 6 2.708 -0.717 3.867
50 1HD2 LEU 6 1HD2 LEU 6 0.291 -2.480 1.752
51 2HD2 LEU 6 2HD2 LEU 6 -0.014 -3.239 3.313
52 3HD2 LEU 6 3HD2 LEU 6 0.887 -4.110 2.072
53 H GLY 7 H GLY 7 5.138 -0.770 0.436
54 1HA GLY 7 1HA GLY 7 5.064 1.606 1.993
55 2HA GLY 7 2HA GLY 7 6.307 1.175 0.833
56 H GLN 8 H GLN 8 4.243 0.843 -1.289
57 HA GLN 8 HA GLN 8 4.194 3.609 -2.181
58 1HB GLN 8 1HB GLN 8 4.615 1.537 -3.658
59 2HB GLN 8 2HB GLN 8 2.880 1.273 -3.569
60 1HG GLN 8 1HG GLN 8 3.259 2.422 -5.581
61 2HG GLN 8 2HG GLN 8 2.600 3.614 -4.462
62 1HE2 GLN 8 1HE2 GLN 8 3.869 5.310 -3.785
63 2HE2 GLN 8 2HE2 GLN 8 5.416 5.663 -4.474
64 H TRP 9 H TRP 9 2.106 1.258 -0.784
65 HA TRP 9 HA TRP 9 -0.381 2.613 -1.248
66 1HB TRP 9 1HB TRP 9 -0.121 0.141 -1.054
67 2HB TRP 9 2HB TRP 9 0.326 0.355 0.630
68 HD1 TRP 9 HD1 TRP 9 -2.626 1.860 -1.354
69 HE1 TRP 9 HE1 TRP 9 -4.793 1.320 -0.060
70 HE3 TRP 9 HE3 TRP 9 -0.609 -0.880 2.418
71 HZ2 TRP 9 HZ2 TRP 9 -5.520 -0.087 2.291
72 HZ3 TRP 9 HZ3 TRP 9 -2.088 -1.782 4.164
73 HH2 TRP 9 HH2 TRP 9 -4.495 -1.382 4.096
74 H LEU 10 H LEU 10 1.927 2.187 1.369
75 HA LEU 10 HA LEU 10 0.395 3.497 3.377
76 1HB LEU 10 1HB LEU 10 2.273 1.844 3.727
77 2HB LEU 10 2HB LEU 10 3.384 3.145 3.346
78 HG LEU 10 HG LEU 10 2.361 4.436 5.269
79 1HD1 LEU 10 1HD1 LEU 10 1.126 1.742 5.815
80 2HD1 LEU 10 2HD1 LEU 10 0.281 3.258 5.507
81 3HD1 LEU 10 3HD1 LEU 10 1.221 3.057 6.985
82 1HD2 LEU 10 1HD2 LEU 10 3.721 1.821 5.912
83 2HD2 LEU 10 2HD2 LEU 10 3.654 3.242 6.954
84 3HD2 LEU 10 3HD2 LEU 10 4.530 3.311 5.425
85 H LYS 11 H LYS 11 2.885 4.606 1.113
86 HA LYS 11 HA LYS 11 3.404 7.110 2.227
87 1HB LYS 11 1HB LYS 11 4.245 7.772 0.070
88 2HB LYS 11 2HB LYS 11 4.690 6.097 0.357
89 1HG LYS 11 1HG LYS 11 3.910 5.723 -1.694
90 2HG LYS 11 2HG LYS 11 2.309 5.845 -0.965
91 1HD LYS 11 1HD LYS 11 2.534 8.372 -1.396
92 2HD LYS 11 2HD LYS 11 3.849 7.923 -2.484
93 1HE LYS 11 1HE LYS 11 1.814 6.195 -3.185
94 2HE LYS 11 2HE LYS 11 0.967 7.702 -2.839
95 1HZ LYS 11 1HZ LYS 11 1.678 7.478 -5.176
96 2HZ LYS 11 2HZ LYS 11 3.292 7.476 -4.673
97 3HZ LYS 11 3HZ LYS 11 2.330 8.844 -4.420
98 H ASP 12 H ASP 12 0.729 6.024 0.223
99 HA ASP 12 HA ASP 12 -0.351 8.668 -0.159
100 1HB ASP 12 1HB ASP 12 -0.631 6.569 -1.679
101 2HB ASP 12 2HB ASP 12 -1.910 6.126 -0.558
102 H GLY 13 H GLY 13 -0.865 5.951 2.015
103 1HA GLY 13 1HA GLY 13 -1.591 6.858 4.297
104 2HA GLY 13 2HA GLY 13 -2.985 7.454 3.410
105 H GLY 14 H GLY 14 -1.296 4.342 3.100
106 1HA GLY 14 1HA GLY 14 -2.146 2.217 2.988
107 2HA GLY 14 2HA GLY 14 -2.727 2.638 4.590
108 HA PRO 15 HA PRO 15 -6.591 1.223 2.682
109 1HB PRO 15 1HB PRO 15 -7.427 2.127 5.395
110 2HB PRO 15 2HB PRO 15 -7.841 0.651 4.533
111 1HG PRO 15 1HG PRO 15 -6.059 0.597 6.493
112 2HG PRO 15 2HG PRO 15 -5.785 -0.345 5.014
113 1HD PRO 15 1HD PRO 15 -4.538 2.237 5.868
114 2HD PRO 15 2HD PRO 15 -3.818 0.872 5.001
115 H SER 16 H SER 16 -6.164 4.206 4.567
116 HA SER 16 HA SER 16 -8.530 5.446 3.664
117 1HB SER 16 1HB SER 16 -7.071 6.039 5.707
118 2HB SER 16 2HB SER 16 -6.099 6.974 4.572
119 HG SER 16 HG SER 16 -7.661 8.402 4.388
120 H SER 17 H SER 17 -5.422 5.063 2.184
121 HA SER 17 HA SER 17 -5.105 7.244 0.564
122 1HB SER 17 1HB SER 17 -3.835 5.862 -0.920
123 2HB SER 17 2HB SER 17 -3.606 5.210 0.702
124 HG SER 17 HG SER 17 -4.187 3.751 -1.202
125 H GLY 18 H GLY 18 -7.316 4.525 0.054
126 1HA GLY 18 1HA GLY 18 -9.444 5.526 -1.063
127 2HA GLY 18 2HA GLY 18 -8.329 5.785 -2.397
128 H ARG 19 H ARG 19 -6.840 3.323 -1.869
129 HA ARG 19 HA ARG 19 -8.827 1.369 -2.827
130 1HB ARG 19 1HB ARG 19 -6.873 0.295 -4.006
131 2HB ARG 19 2HB ARG 19 -7.345 1.869 -4.628
132 1HG ARG 19 1HG ARG 19 -5.347 2.743 -4.200
133 2HG ARG 19 2HG ARG 19 -5.325 2.086 -2.563
134 1HD ARG 19 1HD ARG 19 -4.592 -0.072 -3.430
135 2HD ARG 19 2HD ARG 19 -4.638 0.563 -5.074
136 HE ARG 19 HE ARG 19 -2.933 2.251 -4.068
137 1HH1 ARG 19 1HH1 ARG 19 -3.117 -1.182 -3.360
138 2HH1 ARG 19 2HH1 ARG 19 -1.431 -1.316 -2.997
139 1HH2 ARG 19 1HH2 ARG 19 -0.719 2.058 -3.589
140 2HH2 ARG 19 2HH2 ARG 19 -0.071 0.521 -3.126
141 HA PRO 20 HA PRO 20 -7.795 -1.366 0.479
142 1HB PRO 20 1HB PRO 20 -7.657 -3.630 -1.401
143 2HB PRO 20 2HB PRO 20 -8.790 -3.338 -0.080
144 1HG PRO 20 1HG PRO 20 -9.542 -3.149 -2.650
145 2HG PRO 20 2HG PRO 20 -10.213 -2.086 -1.398
146 1HD PRO 20 1HD PRO 20 -8.084 -1.518 -3.430
147 2HD PRO 20 2HD PRO 20 -9.426 -0.488 -2.884
148 HA PRO 21 HA PRO 21 -3.495 -2.334 0.749
149 1HB PRO 21 1HB PRO 21 -3.451 -4.921 1.697
150 2HB PRO 21 2HB PRO 21 -3.727 -3.494 2.699
151 1HG PRO 21 1HG PRO 21 -5.709 -5.403 1.532
152 2HG PRO 21 2HG PRO 21 -5.686 -4.652 3.138
153 1HD PRO 21 1HD PRO 21 -7.298 -3.754 1.189
154 2HD PRO 21 2HD PRO 21 -6.538 -2.645 2.350
155 HA PRO 22 HA PRO 22 -2.290 -4.454 -2.949
156 1HB PRO 22 1HB PRO 22 0.363 -4.730 -2.508
157 2HB PRO 22 2HB PRO 22 -0.384 -3.168 -2.852
158 1HG PRO 22 1HG PRO 22 0.444 -4.333 -0.225
159 2HG PRO 22 2HG PRO 22 0.641 -2.678 -0.829
160 1HD PRO 22 1HD PRO 22 -1.336 -3.418 0.896
161 2HD PRO 22 2HD PRO 22 -1.501 -2.085 -0.261
162 H SER 23 H SER 23 -3.607 -6.325 -1.965
163 HA SER 23 HA SER 23 -1.834 -8.579 -1.335
164 1HB SER 23 1HB SER 23 -3.991 -9.639 -0.434
165 2HB SER 23 2HB SER 23 -3.292 -8.322 0.506
166 HG SER 23 HG SER 23 -4.942 -7.072 0.010
Start of MODEL 15
1 H ALA 1 H ALA 1 3.154 -8.861 -5.020
2 HA ALA 1 HA ALA 1 5.537 -7.778 -3.673
3 1HB ALA 1 1HB ALA 1 5.468 -7.094 -5.984
4 2HB ALA 1 2HB ALA 1 5.010 -5.732 -4.961
5 3HB ALA 1 3HB ALA 1 3.772 -6.635 -5.835
6 H LEU 2 H LEU 2 4.509 -8.109 -1.631
7 HA LEU 2 HA LEU 2 2.056 -6.567 -1.160
8 1HB LEU 2 1HB LEU 2 3.400 -8.288 0.897
9 2HB LEU 2 2HB LEU 2 1.715 -7.823 0.784
10 HG LEU 2 HG LEU 2 3.075 -9.735 -1.117
11 1HD1 LEU 2 1HD1 LEU 2 1.256 -10.328 1.213
12 2HD1 LEU 2 2HD1 LEU 2 2.992 -10.639 1.159
13 3HD1 LEU 2 3HD1 LEU 2 1.907 -11.503 0.069
14 1HD2 LEU 2 1HD2 LEU 2 0.166 -9.054 -0.694
15 2HD2 LEU 2 2HD2 LEU 2 0.789 -10.288 -1.790
16 3HD2 LEU 2 3HD2 LEU 2 1.152 -8.586 -2.080
17 H GLN 3 H GLN 3 5.256 -7.071 0.342
18 HA GLN 3 HA GLN 3 5.051 -4.801 2.047
19 1HB GLN 3 1HB GLN 3 6.490 -6.761 2.531
20 2HB GLN 3 2HB GLN 3 7.525 -6.311 1.184
21 1HG GLN 3 1HG GLN 3 7.112 -4.138 3.077
22 2HG GLN 3 2HG GLN 3 7.854 -5.563 3.802
23 1HE2 GLN 3 1HE2 GLN 3 8.292 -2.863 1.745
24 2HE2 GLN 3 2HE2 GLN 3 9.950 -3.154 1.342
25 H GLU 4 H GLU 4 6.694 -5.396 -1.046
26 HA GLU 4 HA GLU 4 8.033 -2.957 -1.281
27 1HB GLU 4 1HB GLU 4 7.032 -4.975 -3.255
28 2HB GLU 4 2HB GLU 4 7.674 -3.446 -3.839
29 1HG GLU 4 1HG GLU 4 9.422 -5.064 -3.879
30 2HG GLU 4 2HG GLU 4 9.768 -3.909 -2.593
31 H LEU 5 H LEU 5 4.791 -3.871 -2.443
32 HA LEU 5 HA LEU 5 4.199 -1.280 -3.480
33 1HB LEU 5 1HB LEU 5 3.152 -3.617 -4.024
34 2HB LEU 5 2HB LEU 5 2.078 -3.235 -2.693
35 HG LEU 5 HG LEU 5 2.433 -1.312 -4.970
36 1HD1 LEU 5 1HD1 LEU 5 0.482 -2.329 -6.051
37 2HD1 LEU 5 2HD1 LEU 5 0.515 -3.635 -4.866
38 3HD1 LEU 5 3HD1 LEU 5 1.855 -3.436 -5.994
39 1HD2 LEU 5 1HD2 LEU 5 -0.179 -1.294 -4.071
40 2HD2 LEU 5 2HD2 LEU 5 1.083 -0.142 -3.637
41 3HD2 LEU 5 3HD2 LEU 5 0.766 -1.534 -2.601
42 H LEU 6 H LEU 6 3.829 -2.807 -0.359
43 HA LEU 6 HA LEU 6 1.854 -1.280 0.832
44 1HB LEU 6 1HB LEU 6 3.723 -3.137 1.641
45 2HB LEU 6 2HB LEU 6 4.104 -1.737 2.609
46 HG LEU 6 HG LEU 6 2.572 -3.305 3.748
47 1HD1 LEU 6 1HD1 LEU 6 0.841 -1.603 4.352
48 2HD1 LEU 6 2HD1 LEU 6 1.503 -0.571 3.084
49 3HD1 LEU 6 3HD1 LEU 6 2.508 -1.037 4.457
50 1HD2 LEU 6 1HD2 LEU 6 0.269 -3.529 3.001
51 2HD2 LEU 6 2HD2 LEU 6 1.381 -4.125 1.768
52 3HD2 LEU 6 3HD2 LEU 6 0.617 -2.546 1.579
53 H GLY 7 H GLY 7 5.331 -0.540 0.563
54 1HA GLY 7 1HA GLY 7 5.273 1.842 2.068
55 2HA GLY 7 2HA GLY 7 6.466 1.437 0.850
56 H GLN 8 H GLN 8 4.500 1.151 -1.276
57 HA GLN 8 HA GLN 8 4.334 3.933 -2.059
58 1HB GLN 8 1HB GLN 8 4.767 1.914 -3.606
59 2HB GLN 8 2HB GLN 8 3.038 1.615 -3.496
60 1HG GLN 8 1HG GLN 8 3.423 2.831 -5.490
61 2HG GLN 8 2HG GLN 8 2.664 3.935 -4.344
62 1HE2 GLN 8 1HE2 GLN 8 3.801 5.685 -3.585
63 2HE2 GLN 8 2HE2 GLN 8 5.339 6.159 -4.218
64 H TRP 9 H TRP 9 2.186 1.358 -1.097
65 HA TRP 9 HA TRP 9 -0.298 2.657 -1.373
66 1HB TRP 9 1HB TRP 9 0.063 0.212 -1.145
67 2HB TRP 9 2HB TRP 9 0.553 0.461 0.520
68 HD1 TRP 9 HD1 TRP 9 -2.551 1.811 -1.362
69 HE1 TRP 9 HE1 TRP 9 -4.635 1.160 0.013
70 HE3 TRP 9 HE3 TRP 9 -0.251 -0.818 2.325
71 HZ2 TRP 9 HZ2 TRP 9 -5.199 -0.287 2.390
72 HZ3 TRP 9 HZ3 TRP 9 -1.610 -1.801 4.123
73 HH2 TRP 9 HH2 TRP 9 -4.034 -1.531 4.149
74 H LEU 10 H LEU 10 2.046 2.397 1.232
75 HA LEU 10 HA LEU 10 0.491 3.679 3.236
76 1HB LEU 10 1HB LEU 10 2.418 2.194 3.696
77 2HB LEU 10 2HB LEU 10 3.492 3.419 3.045
78 HG LEU 10 HG LEU 10 2.663 4.970 4.855
79 1HD1 LEU 10 1HD1 LEU 10 0.586 3.879 5.407
80 2HD1 LEU 10 2HD1 LEU 10 1.634 3.894 6.825
81 3HD1 LEU 10 3HD1 LEU 10 1.443 2.414 5.885
82 1HD2 LEU 10 1HD2 LEU 10 4.007 2.435 5.783
83 2HD2 LEU 10 2HD2 LEU 10 4.093 4.017 6.558
84 3HD2 LEU 10 3HD2 LEU 10 4.814 3.774 4.967
85 H LYS 11 H LYS 11 2.733 4.851 0.785
86 HA LYS 11 HA LYS 11 3.233 7.417 1.723
87 1HB LYS 11 1HB LYS 11 4.228 6.272 -0.317
88 2HB LYS 11 2HB LYS 11 2.772 6.743 -1.183
89 1HG LYS 11 1HG LYS 11 3.259 9.076 -0.827
90 2HG LYS 11 2HG LYS 11 4.652 8.664 0.175
91 1HD LYS 11 1HD LYS 11 5.962 8.256 -1.607
92 2HD LYS 11 2HD LYS 11 4.673 7.434 -2.487
93 1HE LYS 11 1HE LYS 11 5.115 9.334 -3.770
94 2HE LYS 11 2HE LYS 11 3.681 9.767 -2.842
95 1HZ LYS 11 1HZ LYS 11 6.460 10.515 -2.104
96 2HZ LYS 11 2HZ LYS 11 5.045 11.000 -1.314
97 3HZ LYS 11 3HZ LYS 11 5.360 11.536 -2.886
98 H ASP 12 H ASP 12 0.489 6.216 -0.179
99 HA ASP 12 HA ASP 12 -0.790 8.775 -0.357
100 1HB ASP 12 1HB ASP 12 -1.072 6.823 -1.970
101 2HB ASP 12 2HB ASP 12 -2.095 6.078 -0.755
102 H GLY 13 H GLY 13 -0.934 6.035 1.836
103 1HA GLY 13 1HA GLY 13 -1.580 6.878 4.157
104 2HA GLY 13 2HA GLY 13 -3.069 7.375 3.370
105 H GLY 14 H GLY 14 -1.231 4.377 2.878
106 1HA GLY 14 1HA GLY 14 -1.948 2.202 2.843
107 2HA GLY 14 2HA GLY 14 -2.417 2.585 4.490
108 HA PRO 15 HA PRO 15 -6.335 0.944 2.910
109 1HB PRO 15 1HB PRO 15 -7.019 1.811 5.676
110 2HB PRO 15 2HB PRO 15 -7.393 0.302 4.853
111 1HG PRO 15 1HG PRO 15 -5.467 0.407 6.682
112 2HG PRO 15 2HG PRO 15 -5.259 -0.558 5.208
113 1HD PRO 15 1HD PRO 15 -4.082 2.096 5.912
114 2HD PRO 15 2HD PRO 15 -3.373 0.759 4.992
115 H SER 16 H SER 16 -6.008 3.923 4.839
116 HA SER 16 HA SER 16 -8.481 5.018 4.001
117 1HB SER 16 1HB SER 16 -7.079 5.626 6.075
118 2HB SER 16 2HB SER 16 -6.164 6.669 4.988
119 HG SER 16 HG SER 16 -7.810 8.001 4.863
120 H SER 17 H SER 17 -5.377 4.891 2.489
121 HA SER 17 HA SER 17 -5.190 7.169 0.980
122 1HB SER 17 1HB SER 17 -3.828 5.963 -0.532
123 2HB SER 17 2HB SER 17 -3.610 5.164 1.019
124 HG SER 17 HG SER 17 -3.978 3.744 -0.817
125 H GLY 18 H GLY 18 -7.192 4.324 0.288
126 1HA GLY 18 1HA GLY 18 -9.418 5.184 -0.733
127 2HA GLY 18 2HA GLY 18 -8.355 5.699 -2.036
128 H ARG 19 H ARG 19 -6.580 3.484 -1.956
129 HA ARG 19 HA ARG 19 -8.291 1.455 -3.197
130 1HB ARG 19 1HB ARG 19 -6.206 0.630 -4.228
131 2HB ARG 19 2HB ARG 19 -6.505 2.321 -4.602
132 1HG ARG 19 1HG ARG 19 -4.546 2.914 -3.753
133 2HG ARG 19 2HG ARG 19 -4.907 2.111 -2.227
134 1HD ARG 19 1HD ARG 19 -2.860 1.254 -3.311
135 2HD ARG 19 2HD ARG 19 -4.086 0.014 -3.074
136 HE ARG 19 HE ARG 19 -3.304 1.224 -5.632
137 1HH1 ARG 19 1HH1 ARG 19 -5.114 -1.227 -3.887
138 2HH1 ARG 19 2HH1 ARG 19 -5.433 -2.166 -5.304
139 1HH2 ARG 19 1HH2 ARG 19 -3.736 -0.025 -7.486
140 2HH2 ARG 19 2HH2 ARG 19 -4.654 -1.486 -7.343
141 HA PRO 20 HA PRO 20 -7.562 -1.483 0.021
142 1HB PRO 20 1HB PRO 20 -7.596 -3.825 -1.325
143 2HB PRO 20 2HB PRO 20 -9.050 -2.846 -1.094
144 1HG PRO 20 1HG PRO 20 -7.259 -3.042 -3.486
145 2HG PRO 20 2HG PRO 20 -9.031 -3.012 -3.415
146 1HD PRO 20 1HD PRO 20 -7.535 -0.826 -4.026
147 2HD PRO 20 2HD PRO 20 -9.109 -0.724 -3.210
148 HA PRO 21 HA PRO 21 -3.297 -2.498 0.576
149 1HB PRO 21 1HB PRO 21 -4.149 -5.261 1.282
150 2HB PRO 21 2HB PRO 21 -3.150 -4.123 2.193
151 1HG PRO 21 1HG PRO 21 -5.687 -4.599 2.884
152 2HG PRO 21 2HG PRO 21 -4.980 -2.980 3.026
153 1HD PRO 21 1HD PRO 21 -6.896 -4.042 1.011
154 2HD PRO 21 2HD PRO 21 -6.762 -2.410 1.693
155 HA PRO 22 HA PRO 22 -1.922 -4.377 -3.195
156 1HB PRO 22 1HB PRO 22 0.605 -5.120 -2.393
157 2HB PRO 22 2HB PRO 22 0.154 -3.489 -2.894
158 1HG PRO 22 1HG PRO 22 0.417 -4.619 -0.138
159 2HG PRO 22 2HG PRO 22 0.932 -3.038 -0.755
160 1HD PRO 22 1HD PRO 22 -1.307 -3.303 0.692
161 2HD PRO 22 2HD PRO 22 -1.217 -2.166 -0.668
162 H SER 23 H SER 23 -3.417 -6.127 -3.031
163 HA SER 23 HA SER 23 -2.105 -8.684 -2.798
164 1HB SER 23 1HB SER 23 -3.938 -9.585 -1.272
165 2HB SER 23 2HB SER 23 -2.742 -8.537 -0.511
166 HG SER 23 HG SER 23 -4.212 -6.991 -0.279
Start of MODEL 16
1 H ALA 1 H ALA 1 4.964 -7.015 -6.110
2 HA ALA 1 HA ALA 1 6.037 -8.302 -4.433
3 1HB ALA 1 1HB ALA 1 7.633 -6.949 -2.920
4 2HB ALA 1 2HB ALA 1 7.845 -5.918 -4.335
5 3HB ALA 1 3HB ALA 1 8.258 -7.630 -4.422
6 H LEU 2 H LEU 2 4.969 -8.352 -2.504
7 HA LEU 2 HA LEU 2 2.858 -6.523 -2.079
8 1HB LEU 2 1HB LEU 2 3.948 -8.895 -0.682
9 2HB LEU 2 2HB LEU 2 3.008 -7.787 0.300
10 HG LEU 2 HG LEU 2 1.266 -8.015 -1.665
11 1HD1 LEU 2 1HD1 LEU 2 1.260 -10.247 -2.637
12 2HD1 LEU 2 2HD1 LEU 2 2.795 -10.607 -1.846
13 3HD1 LEU 2 3HD1 LEU 2 2.716 -9.364 -3.095
14 1HD2 LEU 2 1HD2 LEU 2 1.730 -10.110 0.454
15 2HD2 LEU 2 2HD2 LEU 2 0.227 -9.889 -0.443
16 3HD2 LEU 2 3HD2 LEU 2 0.810 -8.616 0.628
17 H GLN 3 H GLN 3 5.986 -6.958 -0.444
18 HA GLN 3 HA GLN 3 5.605 -5.029 1.570
19 1HB GLN 3 1HB GLN 3 7.994 -6.339 0.336
20 2HB GLN 3 2HB GLN 3 8.237 -4.957 1.395
21 1HG GLN 3 1HG GLN 3 6.919 -6.166 3.140
22 2HG GLN 3 2HG GLN 3 6.931 -7.577 2.082
23 1HE2 GLN 3 1HE2 GLN 3 8.934 -5.388 3.958
24 2HE2 GLN 3 2HE2 GLN 3 10.285 -6.459 4.112
25 H GLU 4 H GLU 4 7.027 -4.781 -1.676
26 HA GLU 4 HA GLU 4 7.808 -2.073 -1.482
27 1HB GLU 4 1HB GLU 4 7.102 -3.682 -3.945
28 2HB GLU 4 2HB GLU 4 7.948 -2.142 -3.944
29 1HG GLU 4 1HG GLU 4 8.917 -4.792 -2.924
30 2HG GLU 4 2HG GLU 4 9.589 -3.807 -4.221
31 H LEU 5 H LEU 5 4.841 -3.613 -2.678
32 HA LEU 5 HA LEU 5 3.596 -1.235 -3.578
33 1HB LEU 5 1HB LEU 5 3.025 -3.813 -3.911
34 2HB LEU 5 2HB LEU 5 1.944 -3.496 -2.567
35 HG LEU 5 HG LEU 5 1.926 -1.921 -5.142
36 1HD1 LEU 5 1HD1 LEU 5 1.307 -4.144 -5.711
37 2HD1 LEU 5 2HD1 LEU 5 -0.180 -3.203 -5.591
38 3HD1 LEU 5 3HD1 LEU 5 0.285 -4.292 -4.282
39 1HD2 LEU 5 1HD2 LEU 5 0.736 -0.517 -3.872
40 2HD2 LEU 5 2HD2 LEU 5 0.545 -1.699 -2.579
41 3HD2 LEU 5 3HD2 LEU 5 -0.542 -1.728 -3.966
42 H LEU 6 H LEU 6 3.635 -2.904 -0.471
43 HA LEU 6 HA LEU 6 1.592 -1.502 0.836
44 1HB LEU 6 1HB LEU 6 3.260 -3.500 1.486
45 2HB LEU 6 2HB LEU 6 3.978 -2.215 2.419
46 HG LEU 6 HG LEU 6 2.413 -3.529 3.761
47 1HD1 LEU 6 1HD1 LEU 6 1.089 -1.700 4.655
48 2HD1 LEU 6 2HD1 LEU 6 1.389 -0.751 3.198
49 3HD1 LEU 6 3HD1 LEU 6 2.724 -1.161 4.274
50 1HD2 LEU 6 1HD2 LEU 6 0.032 -3.521 3.299
51 2HD2 LEU 6 2HD2 LEU 6 0.917 -4.229 1.948
52 3HD2 LEU 6 3HD2 LEU 6 0.300 -2.581 1.832
53 H GLY 7 H GLY 7 5.070 -0.804 0.587
54 1HA GLY 7 1HA GLY 7 5.037 1.496 2.239
55 2HA GLY 7 2HA GLY 7 6.254 1.115 1.038
56 H GLN 8 H GLN 8 4.283 0.954 -1.127
57 HA GLN 8 HA GLN 8 4.236 3.768 -1.817
58 1HB GLN 8 1HB GLN 8 4.391 1.491 -3.311
59 2HB GLN 8 2HB GLN 8 2.682 1.869 -3.474
60 1HG GLN 8 1HG GLN 8 4.925 3.779 -4.088
61 2HG GLN 8 2HG GLN 8 4.083 2.794 -5.282
62 1HE2 GLN 8 1HE2 GLN 8 3.988 5.620 -3.332
63 2HE2 GLN 8 2HE2 GLN 8 2.480 6.237 -3.913
64 H TRP 9 H TRP 9 1.986 1.240 -0.966
65 HA TRP 9 HA TRP 9 -0.444 2.635 -1.203
66 1HB TRP 9 1HB TRP 9 -0.234 0.188 -1.075
67 2HB TRP 9 2HB TRP 9 0.367 0.319 0.568
68 HD1 TRP 9 HD1 TRP 9 -2.793 1.716 -1.177
69 HE1 TRP 9 HE1 TRP 9 -4.818 1.170 0.329
70 HE3 TRP 9 HE3 TRP 9 -0.353 -0.748 2.539
71 HZ2 TRP 9 HZ2 TRP 9 -5.284 -0.142 2.803
72 HZ3 TRP 9 HZ3 TRP 9 -1.639 -1.607 4.449
73 HH2 TRP 9 HH2 TRP 9 -4.055 -1.297 4.572
74 H LEU 10 H LEU 10 1.822 2.116 1.451
75 HA LEU 10 HA LEU 10 0.311 3.449 3.456
76 1HB LEU 10 1HB LEU 10 2.272 1.795 3.708
77 2HB LEU 10 2HB LEU 10 3.304 3.193 3.478
78 HG LEU 10 HG LEU 10 1.458 3.924 5.474
79 1HD1 LEU 10 1HD1 LEU 10 0.920 1.557 5.755
80 2HD1 LEU 10 2HD1 LEU 10 1.770 2.195 7.162
81 3HD1 LEU 10 3HD1 LEU 10 2.629 1.194 5.992
82 1HD2 LEU 10 1HD2 LEU 10 3.448 4.013 6.882
83 2HD2 LEU 10 2HD2 LEU 10 3.777 4.671 5.279
84 3HD2 LEU 10 3HD2 LEU 10 4.337 3.052 5.700
85 H LYS 11 H LYS 11 2.641 4.533 1.066
86 HA LYS 11 HA LYS 11 3.275 7.045 2.139
87 1HB LYS 11 1HB LYS 11 4.430 5.935 0.214
88 2HB LYS 11 2HB LYS 11 3.046 6.336 -0.791
89 1HG LYS 11 1HG LYS 11 3.835 8.733 0.439
90 2HG LYS 11 2HG LYS 11 5.315 7.938 -0.102
91 1HD LYS 11 1HD LYS 11 4.755 9.086 -2.004
92 2HD LYS 11 2HD LYS 11 3.913 7.566 -2.302
93 1HE LYS 11 1HE LYS 11 2.353 9.528 -0.785
94 2HE LYS 11 2HE LYS 11 2.779 10.051 -2.413
95 1HZ LYS 11 1HZ LYS 11 1.672 8.233 -3.354
96 2HZ LYS 11 2HZ LYS 11 0.625 8.784 -2.147
97 3HZ LYS 11 3HZ LYS 11 1.565 7.403 -1.885
98 H ASP 12 H ASP 12 0.501 5.932 0.292
99 HA ASP 12 HA ASP 12 -0.574 8.636 0.081
100 1HB ASP 12 1HB ASP 12 -0.635 6.754 -1.742
101 2HB ASP 12 2HB ASP 12 -2.030 6.180 -0.838
102 H GLY 13 H GLY 13 -0.362 6.930 2.664
103 1HA GLY 13 1HA GLY 13 -1.625 7.215 4.618
104 2HA GLY 13 2HA GLY 13 -3.012 7.653 3.634
105 H GLY 14 H GLY 14 -1.149 4.763 2.979
106 1HA GLY 14 1HA GLY 14 -1.819 2.578 2.824
107 2HA GLY 14 2HA GLY 14 -2.251 2.826 4.506
108 HA PRO 15 HA PRO 15 -6.232 1.257 3.100
109 1HB PRO 15 1HB PRO 15 -6.853 2.355 5.800
110 2HB PRO 15 2HB PRO 15 -7.319 0.817 5.086
111 1HG PRO 15 1HG PRO 15 -5.361 0.909 6.860
112 2HG PRO 15 2HG PRO 15 -5.192 -0.106 5.414
113 1HD PRO 15 1HD PRO 15 -3.961 2.552 6.013
114 2HD PRO 15 2HD PRO 15 -3.270 1.163 5.159
115 H SER 16 H SER 16 -5.717 4.451 4.556
116 HA SER 16 HA SER 16 -8.235 5.399 3.489
117 1HB SER 16 1HB SER 16 -7.099 6.053 5.764
118 2HB SER 16 2HB SER 16 -6.222 7.215 4.770
119 HG SER 16 HG SER 16 -8.364 7.822 5.770
120 H SER 17 H SER 17 -5.976 4.596 1.669
121 HA SER 17 HA SER 17 -5.177 7.101 0.425
122 1HB SER 17 1HB SER 17 -3.817 5.719 -1.049
123 2HB SER 17 2HB SER 17 -3.559 5.224 0.622
124 HG SER 17 HG SER 17 -4.349 3.732 -1.417
125 H GLY 18 H GLY 18 -7.216 4.296 -0.256
126 1HA GLY 18 1HA GLY 18 -9.307 5.209 -1.527
127 2HA GLY 18 2HA GLY 18 -8.107 5.500 -2.780
128 H ARG 19 H ARG 19 -6.515 3.225 -2.430
129 HA ARG 19 HA ARG 19 -8.309 1.165 -3.491
130 1HB ARG 19 1HB ARG 19 -6.298 0.140 -4.429
131 2HB ARG 19 2HB ARG 19 -6.422 1.824 -4.915
132 1HG ARG 19 1HG ARG 19 -4.714 2.477 -3.399
133 2HG ARG 19 2HG ARG 19 -4.720 0.896 -2.615
134 1HD ARG 19 1HD ARG 19 -2.820 0.963 -4.043
135 2HD ARG 19 2HD ARG 19 -4.011 -0.090 -4.806
136 HE ARG 19 HE ARG 19 -4.124 2.646 -5.697
137 1HH1 ARG 19 1HH1 ARG 19 -2.625 -0.477 -6.216
138 2HH1 ARG 19 2HH1 ARG 19 -2.228 -0.147 -7.868
139 1HH2 ARG 19 1HH2 ARG 19 -3.598 3.073 -7.872
140 2HH2 ARG 19 2HH2 ARG 19 -2.779 1.868 -8.809
141 HA PRO 20 HA PRO 20 -7.894 -1.449 0.039
142 1HB PRO 20 1HB PRO 20 -7.848 -3.924 -1.095
143 2HB PRO 20 2HB PRO 20 -9.311 -2.940 -0.977
144 1HG PRO 20 1HG PRO 20 -7.464 -3.314 -3.303
145 2HG PRO 20 2HG PRO 20 -9.237 -3.288 -3.275
146 1HD PRO 20 1HD PRO 20 -7.777 -1.152 -4.046
147 2HD PRO 20 2HD PRO 20 -9.328 -0.982 -3.199
148 HA PRO 21 HA PRO 21 -3.671 -2.365 0.946
149 1HB PRO 21 1HB PRO 21 -4.617 -4.901 2.167
150 2HB PRO 21 2HB PRO 21 -3.659 -3.598 2.878
151 1HG PRO 21 1HG PRO 21 -6.240 -3.925 3.499
152 2HG PRO 21 2HG PRO 21 -5.518 -2.313 3.357
153 1HD PRO 21 1HD PRO 21 -7.319 -3.757 1.475
154 2HD PRO 21 2HD PRO 21 -7.217 -2.023 1.836
155 HA PRO 22 HA PRO 22 -2.485 -5.195 -2.294
156 1HB PRO 22 1HB PRO 22 0.192 -5.021 -2.005
157 2HB PRO 22 2HB PRO 22 -0.770 -3.702 -2.679
158 1HG PRO 22 1HG PRO 22 0.321 -4.030 0.085
159 2HG PRO 22 2HG PRO 22 0.271 -2.580 -0.932
160 1HD PRO 22 1HD PRO 22 -1.516 -3.083 1.075
161 2HD PRO 22 2HD PRO 22 -1.895 -2.102 -0.351
162 H SER 23 H SER 23 -3.498 -6.868 -0.773
163 HA SER 23 HA SER 23 -1.500 -8.898 -0.236
164 1HB SER 23 1HB SER 23 -3.255 -7.710 1.902
165 2HB SER 23 2HB SER 23 -2.647 -9.360 2.032
166 HG SER 23 HG SER 23 -0.982 -8.376 2.879
Start of MODEL 17
1 H ALA 1 H ALA 1 4.974 -5.745 -6.877
2 HA ALA 1 HA ALA 1 5.416 -7.706 -5.619
3 1HB ALA 1 1HB ALA 1 7.391 -5.990 -4.118
4 2HB ALA 1 2HB ALA 1 7.801 -7.296 -5.230
5 3HB ALA 1 3HB ALA 1 6.945 -7.651 -3.729
6 H LEU 2 H LEU 2 4.279 -8.095 -3.657
7 HA LEU 2 HA LEU 2 2.260 -6.216 -3.081
8 1HB LEU 2 1HB LEU 2 3.107 -8.833 -1.947
9 2HB LEU 2 2HB LEU 2 2.044 -7.835 -0.973
10 HG LEU 2 HG LEU 2 0.474 -7.756 -2.952
11 1HD1 LEU 2 1HD1 LEU 2 2.364 -9.878 -3.950
12 2HD1 LEU 2 2HD1 LEU 2 1.954 -8.352 -4.732
13 3HD1 LEU 2 3HD1 LEU 2 0.738 -9.621 -4.583
14 1HD2 LEU 2 1HD2 LEU 2 -0.258 -10.176 -2.596
15 2HD2 LEU 2 2HD2 LEU 2 -0.169 -9.138 -1.175
16 3HD2 LEU 2 3HD2 LEU 2 1.116 -10.303 -1.498
17 H GLN 3 H GLN 3 4.968 -7.338 -1.028
18 HA GLN 3 HA GLN 3 4.552 -5.574 1.095
19 1HB GLN 3 1HB GLN 3 6.268 -7.594 0.686
20 2HB GLN 3 2HB GLN 3 7.361 -6.249 0.393
21 1HG GLN 3 1HG GLN 3 7.537 -6.900 2.683
22 2HG GLN 3 2HG GLN 3 6.748 -5.326 2.605
23 1HE2 GLN 3 1HE2 GLN 3 6.293 -8.739 3.207
24 2HE2 GLN 3 2HE2 GLN 3 4.776 -8.590 4.025
25 H GLU 4 H GLU 4 6.368 -5.148 -1.909
26 HA GLU 4 HA GLU 4 7.547 -2.662 -1.278
27 1HB GLU 4 1HB GLU 4 8.347 -4.019 -3.135
28 2HB GLU 4 2HB GLU 4 6.801 -3.858 -3.955
29 1HG GLU 4 1HG GLU 4 8.014 -1.292 -3.312
30 2HG GLU 4 2HG GLU 4 9.022 -2.295 -4.355
31 H LEU 5 H LEU 5 4.480 -3.535 -2.831
32 HA LEU 5 HA LEU 5 3.654 -0.920 -3.489
33 1HB LEU 5 1HB LEU 5 2.693 -3.404 -4.001
34 2HB LEU 5 2HB LEU 5 1.553 -2.871 -2.780
35 HG LEU 5 HG LEU 5 2.133 -1.473 -5.394
36 1HD1 LEU 5 1HD1 LEU 5 -0.450 -2.730 -4.533
37 2HD1 LEU 5 2HD1 LEU 5 0.792 -3.644 -5.388
38 3HD1 LEU 5 3HD1 LEU 5 0.055 -2.233 -6.148
39 1HD2 LEU 5 1HD2 LEU 5 0.356 -0.748 -3.078
40 2HD2 LEU 5 2HD2 LEU 5 0.110 -0.110 -4.704
41 3HD2 LEU 5 3HD2 LEU 5 1.612 0.225 -3.841
42 H LEU 6 H LEU 6 3.409 -2.806 -0.535
43 HA LEU 6 HA LEU 6 1.468 -1.392 0.866
44 1HB LEU 6 1HB LEU 6 3.313 -3.385 1.395
45 2HB LEU 6 2HB LEU 6 3.710 -2.137 2.545
46 HG LEU 6 HG LEU 6 2.140 -3.879 3.404
47 1HD1 LEU 6 1HD1 LEU 6 0.452 -2.168 4.273
48 2HD1 LEU 6 2HD1 LEU 6 1.361 -0.985 3.332
49 3HD1 LEU 6 3HD1 LEU 6 2.159 -1.889 4.618
50 1HD2 LEU 6 1HD2 LEU 6 0.150 -4.342 2.468
51 2HD2 LEU 6 2HD2 LEU 6 0.888 -3.671 1.014
52 3HD2 LEU 6 3HD2 LEU 6 -0.150 -2.662 2.022
53 H GLY 7 H GLY 7 4.973 -0.776 0.671
54 1HA GLY 7 1HA GLY 7 4.990 1.440 2.427
55 2HA GLY 7 2HA GLY 7 6.210 1.078 1.222
56 H GLN 8 H GLN 8 4.425 1.129 -1.029
57 HA GLN 8 HA GLN 8 4.419 3.970 -1.529
58 1HB GLN 8 1HB GLN 8 4.495 1.722 -3.140
59 2HB GLN 8 2HB GLN 8 2.858 2.314 -3.386
60 1HG GLN 8 1HG GLN 8 5.423 3.816 -3.848
61 2HG GLN 8 2HG GLN 8 4.286 3.240 -5.065
62 1HE2 GLN 8 1HE2 GLN 8 2.073 4.156 -4.939
63 2HE2 GLN 8 2HE2 GLN 8 1.909 5.815 -4.480
64 H TRP 9 H TRP 9 2.102 1.461 -0.871
65 HA TRP 9 HA TRP 9 -0.307 2.870 -1.135
66 1HB TRP 9 1HB TRP 9 -0.111 0.428 -1.062
67 2HB TRP 9 2HB TRP 9 0.471 0.510 0.590
68 HD1 TRP 9 HD1 TRP 9 -2.678 1.909 -1.168
69 HE1 TRP 9 HE1 TRP 9 -4.718 1.306 0.295
70 HE3 TRP 9 HE3 TRP 9 -0.257 -0.573 2.549
71 HZ2 TRP 9 HZ2 TRP 9 -5.203 -0.049 2.738
72 HZ3 TRP 9 HZ3 TRP 9 -1.565 -1.478 4.427
73 HH2 TRP 9 HH2 TRP 9 -3.988 -1.203 4.512
74 H LEU 10 H LEU 10 1.848 2.258 1.594
75 HA LEU 10 HA LEU 10 0.289 3.548 3.576
76 1HB LEU 10 1HB LEU 10 2.264 1.904 3.834
77 2HB LEU 10 2HB LEU 10 3.281 3.323 3.685
78 HG LEU 10 HG LEU 10 1.170 3.655 5.677
79 1HD1 LEU 10 1HD1 LEU 10 3.246 1.513 6.121
80 2HD1 LEU 10 2HD1 LEU 10 1.509 1.255 5.963
81 3HD1 LEU 10 3HD1 LEU 10 2.145 2.158 7.338
82 1HD2 LEU 10 1HD2 LEU 10 3.037 4.464 7.011
83 2HD2 LEU 10 2HD2 LEU 10 3.080 5.168 5.395
84 3HD2 LEU 10 3HD2 LEU 10 4.178 3.853 5.813
85 H LYS 11 H LYS 11 2.733 4.714 1.324
86 HA LYS 11 HA LYS 11 3.290 7.199 2.480
87 1HB LYS 11 1HB LYS 11 3.395 6.137 -0.319
88 2HB LYS 11 2HB LYS 11 3.651 7.854 -0.039
89 1HG LYS 11 1HG LYS 11 5.634 7.519 1.070
90 2HG LYS 11 2HG LYS 11 5.211 5.875 1.551
91 1HD LYS 11 1HD LYS 11 6.665 5.338 -0.101
92 2HD LYS 11 2HD LYS 11 5.236 5.561 -1.112
93 1HE LYS 11 1HE LYS 11 5.985 7.532 -1.979
94 2HE LYS 11 2HE LYS 11 6.887 7.955 -0.524
95 1HZ LYS 11 1HZ LYS 11 8.343 7.441 -2.396
96 2HZ LYS 11 2HZ LYS 11 7.695 5.882 -2.493
97 3HZ LYS 11 3HZ LYS 11 8.571 6.348 -1.124
98 H ASP 12 H ASP 12 0.559 6.116 0.572
99 HA ASP 12 HA ASP 12 -0.527 8.836 0.463
100 1HB ASP 12 1HB ASP 12 -0.435 7.163 -1.539
101 2HB ASP 12 2HB ASP 12 -1.838 6.429 -0.773
102 H GLY 13 H GLY 13 -0.409 7.699 3.017
103 1HA GLY 13 1HA GLY 13 -1.749 7.532 4.875
104 2HA GLY 13 2HA GLY 13 -3.116 7.950 3.855
105 H GLY 14 H GLY 14 -1.084 5.190 3.144
106 1HA GLY 14 1HA GLY 14 -1.581 2.971 2.939
107 2HA GLY 14 2HA GLY 14 -2.257 3.157 4.549
108 HA PRO 15 HA PRO 15 -5.939 1.494 2.584
109 1HB PRO 15 1HB PRO 15 -7.018 2.457 5.182
110 2HB PRO 15 2HB PRO 15 -7.237 0.905 4.390
111 1HG PRO 15 1HG PRO 15 -5.592 1.145 6.456
112 2HG PRO 15 2HG PRO 15 -5.143 0.137 5.068
113 1HD PRO 15 1HD PRO 15 -4.184 2.868 5.813
114 2HD PRO 15 2HD PRO 15 -3.290 1.523 5.086
115 H SER 16 H SER 16 -5.847 4.634 4.243
116 HA SER 16 HA SER 16 -8.287 5.598 3.307
117 1HB SER 16 1HB SER 16 -7.625 7.719 4.082
118 2HB SER 16 2HB SER 16 -6.729 6.594 5.103
119 HG SER 16 HG SER 16 -5.155 7.890 4.459
120 H SER 17 H SER 17 -5.233 5.287 1.667
121 HA SER 17 HA SER 17 -5.325 7.185 -0.311
122 1HB SER 17 1HB SER 17 -3.938 5.740 -1.643
123 2HB SER 17 2HB SER 17 -3.503 5.489 0.046
124 HG SER 17 HG SER 17 -4.549 3.555 0.032
125 H GLY 18 H GLY 18 -6.908 3.989 -0.381
126 1HA GLY 18 1HA GLY 18 -9.291 4.419 -1.405
127 2HA GLY 18 2HA GLY 18 -8.321 4.739 -2.836
128 H ARG 19 H ARG 19 -6.379 2.817 -2.672
129 HA ARG 19 HA ARG 19 -7.854 0.468 -3.457
130 1HB ARG 19 1HB ARG 19 -5.640 -0.442 -4.055
131 2HB ARG 19 2HB ARG 19 -5.917 1.143 -4.761
132 1HG ARG 19 1HG ARG 19 -4.018 1.853 -3.881
133 2HG ARG 19 2HG ARG 19 -4.660 1.555 -2.265
134 1HD ARG 19 1HD ARG 19 -2.581 0.373 -2.517
135 2HD ARG 19 2HD ARG 19 -3.899 -0.791 -2.438
136 HE ARG 19 HE ARG 19 -2.380 -0.059 -4.847
137 1HH1 ARG 19 1HH1 ARG 19 -4.607 -2.228 -3.217
138 2HH1 ARG 19 2HH1 ARG 19 -4.535 -3.424 -4.464
139 1HH2 ARG 19 1HH2 ARG 19 -2.299 -1.642 -6.477
140 2HH2 ARG 19 2HH2 ARG 19 -3.227 -3.095 -6.310
141 HA PRO 20 HA PRO 20 -7.543 -1.824 0.304
142 1HB PRO 20 1HB PRO 20 -7.388 -4.367 -0.615
143 2HB PRO 20 2HB PRO 20 -8.871 -3.410 -0.707
144 1HG PRO 20 1HG PRO 20 -6.830 -3.949 -2.830
145 2HG PRO 20 2HG PRO 20 -8.599 -3.958 -2.951
146 1HD PRO 20 1HD PRO 20 -7.077 -1.864 -3.769
147 2HD PRO 20 2HD PRO 20 -8.723 -1.667 -3.133
148 HA PRO 21 HA PRO 21 -3.344 -2.499 1.500
149 1HB PRO 21 1HB PRO 21 -4.260 -5.016 2.788
150 2HB PRO 21 2HB PRO 21 -3.371 -3.652 3.472
151 1HG PRO 21 1HG PRO 21 -5.973 -4.032 3.989
152 2HG PRO 21 2HG PRO 21 -5.282 -2.409 3.825
153 1HD PRO 21 1HD PRO 21 -6.987 -3.941 1.935
154 2HD PRO 21 2HD PRO 21 -6.886 -2.191 2.204
155 HA PRO 22 HA PRO 22 -2.285 -5.502 -1.731
156 1HB PRO 22 1HB PRO 22 0.208 -4.053 -1.995
157 2HB PRO 22 2HB PRO 22 -1.144 -4.132 -3.124
158 1HG PRO 22 1HG PRO 22 -0.442 -1.871 -1.757
159 2HG PRO 22 2HG PRO 22 -2.087 -2.207 -2.325
160 1HD PRO 22 1HD PRO 22 -0.916 -2.562 0.409
161 2HD PRO 22 2HD PRO 22 -2.506 -1.921 -0.055
162 H SER 23 H SER 23 -2.110 -6.888 0.333
163 HA SER 23 HA SER 23 0.494 -8.066 0.379
164 1HB SER 23 1HB SER 23 -0.257 -6.184 2.506
165 2HB SER 23 2HB SER 23 0.272 -7.757 3.102
166 HG SER 23 HG SER 23 1.688 -5.936 1.464
Start of MODEL 18
1 H ALA 1 H ALA 1 6.545 -5.374 -5.370
2 HA ALA 1 HA ALA 1 6.315 -8.137 -4.377
3 1HB ALA 1 1HB ALA 1 8.591 -7.285 -4.232
4 2HB ALA 1 2HB ALA 1 7.864 -7.406 -2.630
5 3HB ALA 1 3HB ALA 1 8.008 -5.833 -3.416
6 H LEU 2 H LEU 2 5.337 -8.326 -2.310
7 HA LEU 2 HA LEU 2 3.028 -6.756 -1.946
8 1HB LEU 2 1HB LEU 2 3.411 -9.140 -1.183
9 2HB LEU 2 2HB LEU 2 4.332 -8.481 0.155
10 HG LEU 2 HG LEU 2 1.828 -7.144 0.122
11 1HD1 LEU 2 1HD1 LEU 2 0.261 -8.959 0.348
12 2HD1 LEU 2 2HD1 LEU 2 1.535 -10.142 0.054
13 3HD1 LEU 2 3HD1 LEU 2 1.033 -9.047 -1.234
14 1HD2 LEU 2 1HD2 LEU 2 2.883 -9.286 1.963
15 2HD2 LEU 2 2HD2 LEU 2 1.612 -8.119 2.330
16 3HD2 LEU 2 3HD2 LEU 2 3.267 -7.568 2.069
17 H GLN 3 H GLN 3 6.067 -6.865 -0.074
18 HA GLN 3 HA GLN 3 5.375 -4.827 1.748
19 1HB GLN 3 1HB GLN 3 7.326 -6.549 1.813
20 2HB GLN 3 2HB GLN 3 8.211 -5.336 0.899
21 1HG GLN 3 1HG GLN 3 7.777 -3.709 2.704
22 2HG GLN 3 2HG GLN 3 6.990 -4.988 3.628
23 1HE2 GLN 3 1HE2 GLN 3 10.013 -3.747 2.433
24 2HE2 GLN 3 2HE2 GLN 3 11.038 -4.746 3.407
25 H GLU 4 H GLU 4 7.057 -4.741 -1.373
26 HA GLU 4 HA GLU 4 7.796 -2.032 -1.343
27 1HB GLU 4 1HB GLU 4 8.732 -3.610 -2.948
28 2HB GLU 4 2HB GLU 4 7.152 -3.837 -3.684
29 1HG GLU 4 1HG GLU 4 8.360 -1.110 -3.579
30 2HG GLU 4 2HG GLU 4 8.903 -2.269 -4.792
31 H LEU 5 H LEU 5 4.929 -3.618 -2.758
32 HA LEU 5 HA LEU 5 3.692 -1.287 -3.712
33 1HB LEU 5 1HB LEU 5 3.152 -3.865 -4.021
34 2HB LEU 5 2HB LEU 5 2.021 -3.547 -2.720
35 HG LEU 5 HG LEU 5 2.065 -1.988 -5.301
36 1HD1 LEU 5 1HD1 LEU 5 -0.131 -3.386 -5.599
37 2HD1 LEU 5 2HD1 LEU 5 0.714 -4.538 -4.565
38 3HD1 LEU 5 3HD1 LEU 5 1.429 -4.040 -6.098
39 1HD2 LEU 5 1HD2 LEU 5 0.498 -1.882 -2.812
40 2HD2 LEU 5 2HD2 LEU 5 -0.439 -1.800 -4.304
41 3HD2 LEU 5 3HD2 LEU 5 0.837 -0.622 -3.999
42 H LEU 6 H LEU 6 3.465 -2.928 -0.576
43 HA LEU 6 HA LEU 6 1.406 -1.357 0.523
44 1HB LEU 6 1HB LEU 6 3.292 -3.322 1.432
45 2HB LEU 6 2HB LEU 6 3.119 -2.053 2.618
46 HG LEU 6 HG LEU 6 0.504 -2.736 1.807
47 1HD1 LEU 6 1HD1 LEU 6 1.673 -4.829 0.958
48 2HD1 LEU 6 2HD1 LEU 6 0.320 -5.059 2.065
49 3HD1 LEU 6 3HD1 LEU 6 1.977 -5.211 2.651
50 1HD2 LEU 6 1HD2 LEU 6 2.001 -3.473 4.319
51 2HD2 LEU 6 2HD2 LEU 6 0.250 -3.383 4.127
52 3HD2 LEU 6 3HD2 LEU 6 1.227 -1.919 4.011
53 H GLY 7 H GLY 7 4.937 -0.949 0.505
54 1HA GLY 7 1HA GLY 7 5.050 1.276 2.235
55 2HA GLY 7 2HA GLY 7 6.235 0.885 1.002
56 H GLN 8 H GLN 8 4.422 0.965 -1.202
57 HA GLN 8 HA GLN 8 4.426 3.802 -1.726
58 1HB GLN 8 1HB GLN 8 4.725 1.762 -3.383
59 2HB GLN 8 2HB GLN 8 2.970 1.831 -3.456
60 1HG GLN 8 1HG GLN 8 3.750 3.098 -5.272
61 2HG GLN 8 2HG GLN 8 3.208 4.264 -4.066
62 1HE2 GLN 8 1HE2 GLN 8 4.681 5.612 -3.099
63 2HE2 GLN 8 2HE2 GLN 8 6.329 5.735 -3.612
64 H TRP 9 H TRP 9 2.123 1.292 -0.988
65 HA TRP 9 HA TRP 9 -0.290 2.710 -1.281
66 1HB TRP 9 1HB TRP 9 -0.047 0.244 -1.139
67 2HB TRP 9 2HB TRP 9 0.403 0.407 0.549
68 HD1 TRP 9 HD1 TRP 9 -2.580 1.894 -1.420
69 HE1 TRP 9 HE1 TRP 9 -4.732 1.317 -0.119
70 HE3 TRP 9 HE3 TRP 9 -0.508 -0.805 2.358
71 HZ2 TRP 9 HZ2 TRP 9 -5.432 -0.100 2.231
72 HZ3 TRP 9 HZ3 TRP 9 -1.971 -1.731 4.105
73 HH2 TRP 9 HH2 TRP 9 -4.384 -1.374 4.038
74 H LEU 10 H LEU 10 1.920 2.204 1.409
75 HA LEU 10 HA LEU 10 0.351 3.530 3.379
76 1HB LEU 10 1HB LEU 10 2.396 1.873 3.575
77 2HB LEU 10 2HB LEU 10 3.321 3.362 3.602
78 HG LEU 10 HG LEU 10 1.715 4.064 5.513
79 1HD1 LEU 10 1HD1 LEU 10 0.109 2.254 5.215
80 2HD1 LEU 10 2HD1 LEU 10 0.841 2.194 6.819
81 3HD1 LEU 10 3HD1 LEU 10 1.366 1.069 5.567
82 1HD2 LEU 10 1HD2 LEU 10 4.085 3.633 5.826
83 2HD2 LEU 10 2HD2 LEU 10 3.779 1.897 5.895
84 3HD2 LEU 10 3HD2 LEU 10 3.155 2.954 7.162
85 H LYS 11 H LYS 11 2.825 4.593 1.107
86 HA LYS 11 HA LYS 11 3.457 7.081 2.183
87 1HB LYS 11 1HB LYS 11 4.351 5.793 0.057
88 2HB LYS 11 2HB LYS 11 3.167 6.787 -0.780
89 1HG LYS 11 1HG LYS 11 4.232 8.798 -0.020
90 2HG LYS 11 2HG LYS 11 5.335 7.875 1.002
91 1HD LYS 11 1HD LYS 11 6.762 7.812 -0.704
92 2HD LYS 11 2HD LYS 11 5.607 6.800 -1.571
93 1HE LYS 11 1HE LYS 11 5.284 9.772 -1.582
94 2HE LYS 11 2HE LYS 11 6.475 9.018 -2.641
95 1HZ LYS 11 1HZ LYS 11 4.826 7.869 -3.794
96 2HZ LYS 11 2HZ LYS 11 4.153 9.402 -3.563
97 3HZ LYS 11 3HZ LYS 11 3.661 8.109 -2.590
98 H ASP 12 H ASP 12 0.783 6.144 0.054
99 HA ASP 12 HA ASP 12 -0.284 8.788 -0.180
100 1HB ASP 12 1HB ASP 12 -0.633 6.791 -1.769
101 2HB ASP 12 2HB ASP 12 -1.839 6.239 -0.615
102 H GLY 13 H GLY 13 -0.968 5.972 1.845
103 1HA GLY 13 1HA GLY 13 -1.610 6.908 4.193
104 2HA GLY 13 2HA GLY 13 -3.019 7.477 3.312
105 H GLY 14 H GLY 14 -1.275 4.399 2.984
106 1HA GLY 14 1HA GLY 14 -2.089 2.259 2.875
107 2HA GLY 14 2HA GLY 14 -2.662 2.665 4.483
108 HA PRO 15 HA PRO 15 -6.521 1.188 2.624
109 1HB PRO 15 1HB PRO 15 -7.357 2.106 5.331
110 2HB PRO 15 2HB PRO 15 -7.749 0.613 4.486
111 1HG PRO 15 1HG PRO 15 -5.956 0.618 6.439
112 2HG PRO 15 2HG PRO 15 -5.676 -0.340 4.971
113 1HD PRO 15 1HD PRO 15 -4.463 2.270 5.784
114 2HD PRO 15 2HD PRO 15 -3.729 0.905 4.926
115 H SER 16 H SER 16 -6.204 4.195 4.516
116 HA SER 16 HA SER 16 -8.582 5.344 3.491
117 1HB SER 16 1HB SER 16 -8.022 7.286 4.707
118 2HB SER 16 2HB SER 16 -7.346 5.961 5.652
119 HG SER 16 HG SER 16 -6.073 7.988 4.277
120 H SER 17 H SER 17 -5.420 5.049 2.160
121 HA SER 17 HA SER 17 -5.072 7.303 0.622
122 1HB SER 17 1HB SER 17 -3.636 6.025 -0.768
123 2HB SER 17 2HB SER 17 -3.539 5.269 0.820
124 HG SER 17 HG SER 17 -4.877 3.636 0.100
125 H GLY 18 H GLY 18 -7.092 4.480 -0.099
126 1HA GLY 18 1HA GLY 18 -9.195 5.532 -1.335
127 2HA GLY 18 2HA GLY 18 -7.992 5.663 -2.610
128 H ARG 19 H ARG 19 -6.606 3.224 -1.928
129 HA ARG 19 HA ARG 19 -8.612 1.250 -2.806
130 1HB ARG 19 1HB ARG 19 -6.770 0.100 -3.968
131 2HB ARG 19 2HB ARG 19 -6.980 1.745 -4.551
132 1HG ARG 19 1HG ARG 19 -4.887 2.267 -4.036
133 2HG ARG 19 2HG ARG 19 -5.080 1.673 -2.387
134 1HD ARG 19 1HD ARG 19 -3.324 0.419 -3.399
135 2HD ARG 19 2HD ARG 19 -4.726 -0.640 -3.263
136 HE ARG 19 HE ARG 19 -4.884 -0.704 -5.558
137 1HH1 ARG 19 1HH1 ARG 19 -2.549 1.738 -4.632
138 2HH1 ARG 19 2HH1 ARG 19 -1.950 1.948 -6.242
139 1HH2 ARG 19 1HH2 ARG 19 -4.088 -0.421 -7.675
140 2HH2 ARG 19 2HH2 ARG 19 -2.823 0.723 -7.969
141 HA PRO 20 HA PRO 20 -7.578 -1.290 0.668
142 1HB PRO 20 1HB PRO 20 -7.803 -3.792 -0.321
143 2HB PRO 20 2HB PRO 20 -9.205 -2.738 -0.104
144 1HG PRO 20 1HG PRO 20 -7.656 -3.339 -2.594
145 2HG PRO 20 2HG PRO 20 -9.411 -3.232 -2.367
146 1HD PRO 20 1HD PRO 20 -7.917 -1.213 -3.419
147 2HD PRO 20 2HD PRO 20 -9.413 -0.939 -2.505
148 HA PRO 21 HA PRO 21 -3.352 -2.574 0.835
149 1HB PRO 21 1HB PRO 21 -3.446 -5.076 1.982
150 2HB PRO 21 2HB PRO 21 -3.576 -3.560 2.878
151 1HG PRO 21 1HG PRO 21 -5.738 -5.404 1.947
152 2HG PRO 21 2HG PRO 21 -5.590 -4.536 3.486
153 1HD PRO 21 1HD PRO 21 -7.221 -3.677 1.535
154 2HD PRO 21 2HD PRO 21 -6.342 -2.542 2.580
155 HA PRO 22 HA PRO 22 -2.585 -5.078 -2.748
156 1HB PRO 22 1HB PRO 22 0.101 -5.253 -2.613
157 2HB PRO 22 2HB PRO 22 -0.723 -3.742 -3.009
158 1HG PRO 22 1HG PRO 22 0.471 -4.627 -0.420
159 2HG PRO 22 2HG PRO 22 0.516 -3.030 -1.185
160 1HD PRO 22 1HD PRO 22 -1.198 -3.718 0.848
161 2HD PRO 22 2HD PRO 22 -1.523 -2.437 -0.334
162 H SER 23 H SER 23 -3.727 -6.829 -1.373
163 HA SER 23 HA SER 23 -2.043 -9.170 -1.409
164 1HB SER 23 1HB SER 23 -1.764 -8.182 0.907
165 2HB SER 23 2HB SER 23 -3.478 -8.510 1.169
166 HG SER 23 HG SER 23 -1.331 -10.282 0.945
Start of MODEL 19
1 H ALA 1 H ALA 1 4.817 -6.517 -5.716
2 HA ALA 1 HA ALA 1 5.630 -8.268 -4.342
3 1HB ALA 1 1HB ALA 1 7.396 -8.012 -2.821
4 2HB ALA 1 2HB ALA 1 7.412 -6.257 -3.000
5 3HB ALA 1 3HB ALA 1 7.985 -7.284 -4.315
6 H LEU 2 H LEU 2 5.062 -8.442 -1.997
7 HA LEU 2 HA LEU 2 2.707 -6.994 -1.443
8 1HB LEU 2 1HB LEU 2 3.075 -9.252 -0.598
9 2HB LEU 2 2HB LEU 2 4.416 -8.693 0.381
10 HG LEU 2 HG LEU 2 2.090 -9.132 1.474
11 1HD1 LEU 2 1HD1 LEU 2 3.250 -6.494 2.233
12 2HD1 LEU 2 2HD1 LEU 2 4.242 -7.946 2.368
13 3HD1 LEU 2 3HD1 LEU 2 2.722 -7.832 3.253
14 1HD2 LEU 2 1HD2 LEU 2 1.582 -6.259 0.904
15 2HD2 LEU 2 2HD2 LEU 2 0.453 -7.549 1.317
16 3HD2 LEU 2 3HD2 LEU 2 1.117 -7.448 -0.314
17 H GLN 3 H GLN 3 5.843 -6.940 0.279
18 HA GLN 3 HA GLN 3 5.183 -4.694 1.873
19 1HB GLN 3 1HB GLN 3 7.256 -6.547 1.795
20 2HB GLN 3 2HB GLN 3 8.040 -5.021 1.416
21 1HG GLN 3 1HG GLN 3 8.142 -5.392 3.778
22 2HG GLN 3 2HG GLN 3 7.053 -4.044 3.456
23 1HE2 GLN 3 1HE2 GLN 3 7.254 -7.409 4.401
24 2HE2 GLN 3 2HE2 GLN 3 5.675 -7.506 5.101
25 H GLU 4 H GLU 4 6.865 -5.037 -1.222
26 HA GLU 4 HA GLU 4 7.871 -2.449 -1.484
27 1HB GLU 4 1HB GLU 4 8.544 -4.159 -3.032
28 2HB GLU 4 2HB GLU 4 6.891 -4.396 -3.575
29 1HG GLU 4 1HG GLU 4 8.116 -1.708 -3.906
30 2HG GLU 4 2HG GLU 4 8.624 -3.006 -4.984
31 H LEU 5 H LEU 5 4.765 -3.747 -2.678
32 HA LEU 5 HA LEU 5 3.793 -1.243 -3.586
33 1HB LEU 5 1HB LEU 5 3.026 -3.634 -4.201
34 2HB LEU 5 2HB LEU 5 2.022 -3.525 -2.769
35 HG LEU 5 HG LEU 5 1.869 -1.412 -4.894
36 1HD1 LEU 5 1HD1 LEU 5 1.566 -3.883 -5.720
37 2HD1 LEU 5 2HD1 LEU 5 0.450 -2.615 -6.229
38 3HD1 LEU 5 3HD1 LEU 5 -0.006 -3.725 -4.936
39 1HD2 LEU 5 1HD2 LEU 5 0.289 -0.605 -3.562
40 2HD2 LEU 5 2HD2 LEU 5 0.586 -1.910 -2.415
41 3HD2 LEU 5 3HD2 LEU 5 -0.612 -2.116 -3.693
42 H LEU 6 H LEU 6 3.616 -2.920 -0.499
43 HA LEU 6 HA LEU 6 1.558 -1.461 0.719
44 1HB LEU 6 1HB LEU 6 3.169 -3.483 1.460
45 2HB LEU 6 2HB LEU 6 3.851 -2.197 2.418
46 HG LEU 6 HG LEU 6 2.212 -3.467 3.699
47 1HD1 LEU 6 1HD1 LEU 6 2.489 -1.077 4.158
48 2HD1 LEU 6 2HD1 LEU 6 0.845 -1.626 4.483
49 3HD1 LEU 6 3HD1 LEU 6 1.197 -0.713 3.015
50 1HD2 LEU 6 1HD2 LEU 6 -0.131 -3.503 3.106
51 2HD2 LEU 6 2HD2 LEU 6 0.826 -4.202 1.800
52 3HD2 LEU 6 3HD2 LEU 6 0.194 -2.562 1.650
53 H GLY 7 H GLY 7 5.060 -0.838 0.577
54 1HA GLY 7 1HA GLY 7 5.034 1.479 2.200
55 2HA GLY 7 2HA GLY 7 6.264 1.070 1.019
56 H GLN 8 H GLN 8 4.313 0.918 -1.169
57 HA GLN 8 HA GLN 8 4.321 3.718 -1.903
58 1HB GLN 8 1HB GLN 8 3.284 1.225 -3.266
59 2HB GLN 8 2HB GLN 8 3.089 2.830 -3.957
60 1HG GLN 8 1HG GLN 8 5.810 1.913 -3.168
61 2HG GLN 8 2HG GLN 8 5.087 1.297 -4.652
62 1HE2 GLN 8 1HE2 GLN 8 6.145 4.188 -2.966
63 2HE2 GLN 8 2HE2 GLN 8 6.314 5.175 -4.376
64 H TRP 9 H TRP 9 2.008 1.254 -1.017
65 HA TRP 9 HA TRP 9 -0.382 2.729 -1.262
66 1HB TRP 9 1HB TRP 9 -0.220 0.263 -1.136
67 2HB TRP 9 2HB TRP 9 0.317 0.394 0.529
68 HD1 TRP 9 HD1 TRP 9 -2.714 1.986 -1.284
69 HE1 TRP 9 HE1 TRP 9 -4.816 1.467 0.121
70 HE3 TRP 9 HE3 TRP 9 -0.539 -0.795 2.374
71 HZ2 TRP 9 HZ2 TRP 9 -5.439 0.058 2.501
72 HZ3 TRP 9 HZ3 TRP 9 -1.939 -1.688 4.190
73 HH2 TRP 9 HH2 TRP 9 -4.338 -1.258 4.246
74 H LEU 10 H LEU 10 1.873 2.145 1.384
75 HA LEU 10 HA LEU 10 0.411 3.484 3.410
76 1HB LEU 10 1HB LEU 10 2.304 1.837 3.722
77 2HB LEU 10 2HB LEU 10 3.403 3.137 3.301
78 HG LEU 10 HG LEU 10 2.430 4.438 5.246
79 1HD1 LEU 10 1HD1 LEU 10 1.248 1.736 5.869
80 2HD1 LEU 10 2HD1 LEU 10 0.367 3.231 5.553
81 3HD1 LEU 10 3HD1 LEU 10 1.353 3.078 7.008
82 1HD2 LEU 10 1HD2 LEU 10 3.811 3.306 6.879
83 2HD2 LEU 10 2HD2 LEU 10 4.613 3.295 5.309
84 3HD2 LEU 10 3HD2 LEU 10 3.813 1.839 5.900
85 H LYS 11 H LYS 11 2.666 4.582 0.963
86 HA LYS 11 HA LYS 11 3.335 7.091 2.014
87 1HB LYS 11 1HB LYS 11 4.363 5.956 0.006
88 2HB LYS 11 2HB LYS 11 2.946 6.443 -0.913
89 1HG LYS 11 1HG LYS 11 3.483 8.728 -0.730
90 2HG LYS 11 2HG LYS 11 4.672 8.425 0.538
91 1HD LYS 11 1HD LYS 11 5.794 8.876 -1.566
92 2HD LYS 11 2HD LYS 11 6.063 7.202 -1.082
93 1HE LYS 11 1HE LYS 11 5.594 7.246 -3.432
94 2HE LYS 11 2HE LYS 11 4.217 6.524 -2.601
95 1HZ LYS 11 1HZ LYS 11 2.964 8.487 -2.871
96 2HZ LYS 11 2HZ LYS 11 3.676 8.193 -4.375
97 3HZ LYS 11 3HZ LYS 11 4.309 9.389 -3.362
98 H ASP 12 H ASP 12 0.460 5.936 0.392
99 HA ASP 12 HA ASP 12 -0.672 8.637 0.305
100 1HB ASP 12 1HB ASP 12 -0.726 6.847 -1.631
101 2HB ASP 12 2HB ASP 12 -2.103 6.217 -0.736
102 H GLY 13 H GLY 13 -0.275 7.297 2.848
103 1HA GLY 13 1HA GLY 13 -1.427 7.131 4.831
104 2HA GLY 13 2HA GLY 13 -2.858 7.694 3.984
105 H GLY 14 H GLY 14 -1.126 4.856 2.899
106 1HA GLY 14 1HA GLY 14 -1.807 2.693 2.633
107 2HA GLY 14 2HA GLY 14 -2.272 2.818 4.321
108 HA PRO 15 HA PRO 15 -6.286 1.554 2.751
109 1HB PRO 15 1HB PRO 15 -6.969 2.495 5.492
110 2HB PRO 15 2HB PRO 15 -7.422 1.004 4.676
111 1HG PRO 15 1HG PRO 15 -5.530 0.997 6.536
112 2HG PRO 15 2HG PRO 15 -5.341 0.025 5.064
113 1HD PRO 15 1HD PRO 15 -4.058 2.622 5.795
114 2HD PRO 15 2HD PRO 15 -3.379 1.244 4.912
115 H SER 16 H SER 16 -5.785 4.574 4.567
116 HA SER 16 HA SER 16 -8.188 5.805 3.922
117 1HB SER 16 1HB SER 16 -7.255 7.811 4.718
118 2HB SER 16 2HB SER 16 -6.358 6.560 5.577
119 HG SER 16 HG SER 16 -5.491 8.395 3.729
120 H SER 17 H SER 17 -5.325 5.365 1.973
121 HA SER 17 HA SER 17 -5.459 7.337 0.084
122 1HB SER 17 1HB SER 17 -4.328 5.861 -1.422
123 2HB SER 17 2HB SER 17 -3.794 5.430 0.201
124 HG SER 17 HG SER 17 -4.421 3.649 -1.242
125 H GLY 18 H GLY 18 -7.360 4.332 0.132
126 1HA GLY 18 1HA GLY 18 -9.774 4.852 -0.581
127 2HA GLY 18 2HA GLY 18 -9.009 5.376 -2.075
128 H ARG 19 H ARG 19 -7.003 3.359 -2.172
129 HA ARG 19 HA ARG 19 -8.641 1.114 -3.075
130 1HB ARG 19 1HB ARG 19 -6.601 0.392 -4.258
131 2HB ARG 19 2HB ARG 19 -7.057 2.037 -4.680
132 1HG ARG 19 1HG ARG 19 -5.069 2.793 -4.066
133 2HG ARG 19 2HG ARG 19 -5.256 2.095 -2.457
134 1HD ARG 19 1HD ARG 19 -3.285 1.163 -3.413
135 2HD ARG 19 2HD ARG 19 -4.519 -0.096 -3.414
136 HE ARG 19 HE ARG 19 -4.466 1.334 -5.879
137 1HH1 ARG 19 1HH1 ARG 19 -2.830 -1.187 -4.081
138 2HH1 ARG 19 2HH1 ARG 19 -2.227 -1.976 -5.498
139 1HH2 ARG 19 1HH2 ARG 19 -3.669 0.288 -7.744
140 2HH2 ARG 19 2HH2 ARG 19 -2.702 -1.139 -7.578
141 HA PRO 20 HA PRO 20 -7.379 -1.549 0.221
142 1HB PRO 20 1HB PRO 20 -7.410 -3.972 -0.977
143 2HB PRO 20 2HB PRO 20 -8.887 -3.070 -0.621
144 1HG PRO 20 1HG PRO 20 -7.401 -3.330 -3.204
145 2HG PRO 20 2HG PRO 20 -9.149 -3.369 -2.909
146 1HD PRO 20 1HD PRO 20 -7.836 -1.166 -3.833
147 2HD PRO 20 2HD PRO 20 -9.317 -1.081 -2.861
148 HA PRO 21 HA PRO 21 -3.044 -2.382 0.153
149 1HB PRO 21 1HB PRO 21 -2.858 -4.745 1.521
150 2HB PRO 21 2HB PRO 21 -3.128 -3.181 2.292
151 1HG PRO 21 1HG PRO 21 -5.099 -5.319 1.596
152 2HG PRO 21 2HG PRO 21 -5.002 -4.317 3.056
153 1HD PRO 21 1HD PRO 21 -6.765 -3.810 1.077
154 2HD PRO 21 2HD PRO 21 -6.026 -2.514 2.038
155 HA PRO 22 HA PRO 22 -1.927 -5.028 -3.191
156 1HB PRO 22 1HB PRO 22 0.540 -5.925 -2.383
157 2HB PRO 22 2HB PRO 22 0.239 -4.334 -3.085
158 1HG PRO 22 1HG PRO 22 0.544 -5.113 -0.219
159 2HG PRO 22 2HG PRO 22 1.156 -3.680 -1.062
160 1HD PRO 22 1HD PRO 22 -1.023 -3.594 0.521
161 2HD PRO 22 2HD PRO 22 -0.872 -2.582 -0.929
162 H SER 23 H SER 23 -1.458 -6.390 0.030
163 HA SER 23 HA SER 23 -2.040 -8.409 0.914
164 1HB SER 23 1HB SER 23 -3.917 -8.231 -0.913
165 2HB SER 23 2HB SER 23 -2.968 -9.473 -1.730
166 HG SER 23 HG SER 23 -4.423 -9.608 0.641
Start of MODEL 20
1 H ALA 1 H ALA 1 4.657 -7.954 -6.538
2 HA ALA 1 HA ALA 1 5.447 -7.596 -4.348
3 1HB ALA 1 1HB ALA 1 5.773 -5.901 -6.178
4 2HB ALA 1 2HB ALA 1 5.915 -5.277 -4.536
5 3HB ALA 1 3HB ALA 1 4.446 -4.985 -5.465
6 H LEU 2 H LEU 2 4.752 -7.835 -2.333
7 HA LEU 2 HA LEU 2 2.168 -6.688 -1.554
8 1HB LEU 2 1HB LEU 2 3.826 -8.595 0.079
9 2HB LEU 2 2HB LEU 2 2.118 -8.238 0.239
10 HG LEU 2 HG LEU 2 3.310 -9.654 -2.144
11 1HD1 LEU 2 1HD1 LEU 2 1.942 -10.824 0.274
12 2HD1 LEU 2 2HD1 LEU 2 3.653 -10.982 -0.128
13 3HD1 LEU 2 3HD1 LEU 2 2.431 -11.711 -1.170
14 1HD2 LEU 2 1HD2 LEU 2 0.449 -9.642 -1.235
15 2HD2 LEU 2 2HD2 LEU 2 1.107 -10.109 -2.802
16 3HD2 LEU 2 3HD2 LEU 2 1.086 -8.411 -2.325
17 H GLN 3 H GLN 3 5.437 -7.090 -0.164
18 HA GLN 3 HA GLN 3 5.017 -5.043 1.794
19 1HB GLN 3 1HB GLN 3 7.374 -6.694 0.942
20 2HB GLN 3 2HB GLN 3 7.599 -5.325 2.021
21 1HG GLN 3 1HG GLN 3 7.280 -6.865 3.615
22 2HG GLN 3 2HG GLN 3 5.575 -6.574 3.273
23 1HE2 GLN 3 1HE2 GLN 3 8.178 -8.810 3.118
24 2HE2 GLN 3 2HE2 GLN 3 7.281 -10.148 2.486
25 H GLU 4 H GLU 4 6.749 -5.242 -1.297
26 HA GLU 4 HA GLU 4 7.954 -2.702 -1.214
27 1HB GLU 4 1HB GLU 4 7.264 -4.631 -3.391
28 2HB GLU 4 2HB GLU 4 7.755 -3.002 -3.832
29 1HG GLU 4 1HG GLU 4 9.818 -3.345 -2.462
30 2HG GLU 4 2HG GLU 4 9.337 -5.031 -2.276
31 H LEU 5 H LEU 5 4.816 -3.764 -2.501
32 HA LEU 5 HA LEU 5 4.069 -1.202 -3.496
33 1HB LEU 5 1HB LEU 5 3.129 -3.626 -3.983
34 2HB LEU 5 2HB LEU 5 2.017 -3.214 -2.692
35 HG LEU 5 HG LEU 5 2.396 -1.462 -5.113
36 1HD1 LEU 5 1HD1 LEU 5 0.371 -2.491 -6.026
37 2HD1 LEU 5 2HD1 LEU 5 0.376 -3.664 -4.709
38 3HD1 LEU 5 3HD1 LEU 5 1.689 -3.653 -5.888
39 1HD2 LEU 5 1HD2 LEU 5 1.172 -0.103 -3.829
40 2HD2 LEU 5 2HD2 LEU 5 0.767 -1.389 -2.694
41 3HD2 LEU 5 3HD2 LEU 5 -0.170 -1.193 -4.175
42 H LEU 6 H LEU 6 3.762 -2.802 -0.396
43 HA LEU 6 HA LEU 6 1.762 -1.303 0.820
44 1HB LEU 6 1HB LEU 6 3.619 -3.203 1.586
45 2HB LEU 6 2HB LEU 6 3.984 -1.836 2.606
46 HG LEU 6 HG LEU 6 2.432 -3.449 3.661
47 1HD1 LEU 6 1HD1 LEU 6 2.350 -1.240 4.495
48 2HD1 LEU 6 2HD1 LEU 6 0.676 -1.748 4.272
49 3HD1 LEU 6 3HD1 LEU 6 1.434 -0.669 3.102
50 1HD2 LEU 6 1HD2 LEU 6 0.452 -2.561 1.570
51 2HD2 LEU 6 2HD2 LEU 6 0.186 -3.717 2.875
52 3HD2 LEU 6 3HD2 LEU 6 1.286 -4.115 1.555
53 H GLY 7 H GLY 7 5.253 -0.620 0.601
54 1HA GLY 7 1HA GLY 7 5.231 1.728 2.162
55 2HA GLY 7 2HA GLY 7 6.427 1.324 0.946
56 H GLN 8 H GLN 8 4.513 1.133 -1.217
57 HA GLN 8 HA GLN 8 4.395 3.937 -1.929
58 1HB GLN 8 1HB GLN 8 4.007 1.356 -3.293
59 2HB GLN 8 2HB GLN 8 2.930 2.626 -3.854
60 1HG GLN 8 1HG GLN 8 4.955 2.505 -5.197
61 2HG GLN 8 2HG GLN 8 4.827 4.049 -4.355
62 1HE2 GLN 8 1HE2 GLN 8 6.389 4.637 -2.932
63 2HE2 GLN 8 2HE2 GLN 8 7.791 3.684 -2.585
64 H TRP 9 H TRP 9 2.206 1.377 -1.036
65 HA TRP 9 HA TRP 9 -0.261 2.699 -1.347
66 1HB TRP 9 1HB TRP 9 0.063 0.252 -1.140
67 2HB TRP 9 2HB TRP 9 0.546 0.473 0.531
68 HD1 TRP 9 HD1 TRP 9 -2.533 1.849 -1.371
69 HE1 TRP 9 HE1 TRP 9 -4.632 1.214 -0.008
70 HE3 TRP 9 HE3 TRP 9 -0.276 -0.774 2.345
71 HZ2 TRP 9 HZ2 TRP 9 -5.220 -0.222 2.369
72 HZ3 TRP 9 HZ3 TRP 9 -1.653 -1.741 4.138
73 HH2 TRP 9 HH2 TRP 9 -4.075 -1.459 4.144
74 H LEU 10 H LEU 10 2.029 2.376 1.300
75 HA LEU 10 HA LEU 10 0.458 3.647 3.294
76 1HB LEU 10 1HB LEU 10 2.472 2.131 3.623
77 2HB LEU 10 2HB LEU 10 3.466 3.521 3.230
78 HG LEU 10 HG LEU 10 2.246 4.708 5.159
79 1HD1 LEU 10 1HD1 LEU 10 1.593 1.840 5.821
80 2HD1 LEU 10 2HD1 LEU 10 0.435 3.113 5.434
81 3HD1 LEU 10 3HD1 LEU 10 1.399 3.214 6.908
82 1HD2 LEU 10 1HD2 LEU 10 4.088 2.397 5.761
83 2HD2 LEU 10 2HD2 LEU 10 3.801 3.798 6.794
84 3HD2 LEU 10 3HD2 LEU 10 4.590 4.002 5.229
85 H LYS 11 H LYS 11 2.755 4.841 0.902
86 HA LYS 11 HA LYS 11 3.248 7.391 1.889
87 1HB LYS 11 1HB LYS 11 4.284 6.264 -0.144
88 2HB LYS 11 2HB LYS 11 2.855 6.764 -1.037
89 1HG LYS 11 1HG LYS 11 3.375 9.040 -0.814
90 2HG LYS 11 2HG LYS 11 4.561 8.729 0.456
91 1HD LYS 11 1HD LYS 11 5.072 7.381 -2.113
92 2HD LYS 11 2HD LYS 11 5.185 9.142 -2.147
93 1HE LYS 11 1HE LYS 11 6.557 7.552 -0.008
94 2HE LYS 11 2HE LYS 11 7.299 7.760 -1.594
95 1HZ LYS 11 1HZ LYS 11 8.080 9.449 -0.092
96 2HZ LYS 11 2HZ LYS 11 6.501 9.931 0.269
97 3HZ LYS 11 3HZ LYS 11 7.123 10.174 -1.284
98 H ASP 12 H ASP 12 0.567 6.252 -0.145
99 HA ASP 12 HA ASP 12 -0.689 8.812 -0.322
100 1HB ASP 12 1HB ASP 12 -0.945 6.871 -1.950
101 2HB ASP 12 2HB ASP 12 -2.013 6.133 -0.769
102 H GLY 13 H GLY 13 -0.893 6.093 1.881
103 1HA GLY 13 1HA GLY 13 -1.610 6.943 4.174
104 2HA GLY 13 2HA GLY 13 -3.076 7.436 3.343
105 H GLY 14 H GLY 14 -1.223 4.435 2.925
106 1HA GLY 14 1HA GLY 14 -1.948 2.263 2.867
107 2HA GLY 14 2HA GLY 14 -2.444 2.648 4.506
108 HA PRO 15 HA PRO 15 -6.344 0.999 2.879
109 1HB PRO 15 1HB PRO 15 -7.046 1.921 5.626
110 2HB PRO 15 2HB PRO 15 -7.447 0.409 4.819
111 1HG PRO 15 1HG PRO 15 -5.535 0.479 6.654
112 2HG PRO 15 2HG PRO 15 -5.318 -0.480 5.177
113 1HD PRO 15 1HD PRO 15 -4.133 2.166 5.902
114 2HD PRO 15 2HD PRO 15 -3.416 0.824 4.998
115 H SER 16 H SER 16 -6.018 4.015 4.741
116 HA SER 16 HA SER 16 -8.477 5.112 3.878
117 1HB SER 16 1HB SER 16 -6.025 6.427 5.063
118 2HB SER 16 2HB SER 16 -7.551 7.263 4.779
119 HG SER 16 HG SER 16 -6.901 5.321 6.672
120 H SER 17 H SER 17 -5.337 4.978 2.407
121 HA SER 17 HA SER 17 -5.190 7.192 0.804
122 1HB SER 17 1HB SER 17 -3.748 5.973 -0.612
123 2HB SER 17 2HB SER 17 -3.560 5.224 0.968
124 HG SER 17 HG SER 17 -3.883 3.808 -0.952
125 H GLY 18 H GLY 18 -7.191 4.323 0.292
126 1HA GLY 18 1HA GLY 18 -9.379 5.042 -0.838
127 2HA GLY 18 2HA GLY 18 -8.313 5.557 -2.139
128 H ARG 19 H ARG 19 -6.482 3.490 -2.181
129 HA ARG 19 HA ARG 19 -8.075 1.391 -3.403
130 1HB ARG 19 1HB ARG 19 -5.959 0.564 -4.287
131 2HB ARG 19 2HB ARG 19 -6.107 2.290 -4.588
132 1HG ARG 19 1HG ARG 19 -4.564 2.803 -2.844
133 2HG ARG 19 2HG ARG 19 -4.556 1.130 -2.284
134 1HD ARG 19 1HD ARG 19 -2.759 0.847 -3.566
135 2HD ARG 19 2HD ARG 19 -3.854 0.920 -4.944
136 HE ARG 19 HE ARG 19 -3.360 3.477 -4.680
137 1HH1 ARG 19 1HH1 ARG 19 -1.082 0.831 -4.370
138 2HH1 ARG 19 2HH1 ARG 19 0.272 1.779 -4.881
139 1HH2 ARG 19 1HH2 ARG 19 -1.572 4.714 -5.356
140 2HH2 ARG 19 2HH2 ARG 19 -0.006 3.982 -5.442
141 HA PRO 20 HA PRO 20 -7.738 -1.498 -0.076
142 1HB PRO 20 1HB PRO 20 -7.681 -3.860 -1.405
143 2HB PRO 20 2HB PRO 20 -9.140 -2.868 -1.283
144 1HG PRO 20 1HG PRO 20 -7.184 -3.095 -3.539
145 2HG PRO 20 2HG PRO 20 -8.957 -3.043 -3.595
146 1HD PRO 20 1HD PRO 20 -7.408 -0.878 -4.116
147 2HD PRO 20 2HD PRO 20 -9.021 -0.751 -3.387
148 HA PRO 21 HA PRO 21 -3.524 -2.477 0.823
149 1HB PRO 21 1HB PRO 21 -4.486 -5.125 1.774
150 2HB PRO 21 2HB PRO 21 -3.530 -3.903 2.618
151 1HG PRO 21 1HG PRO 21 -6.116 -4.272 3.181
152 2HG PRO 21 2HG PRO 21 -5.388 -2.656 3.197
153 1HD PRO 21 1HD PRO 21 -7.177 -3.910 1.173
154 2HD PRO 21 2HD PRO 21 -7.071 -2.218 1.693
155 HA PRO 22 HA PRO 22 -2.325 -4.993 -2.664
156 1HB PRO 22 1HB PRO 22 0.341 -4.705 -2.453
157 2HB PRO 22 2HB PRO 22 -0.703 -3.372 -2.964
158 1HG PRO 22 1HG PRO 22 0.510 -3.909 -0.283
159 2HG PRO 22 2HG PRO 22 0.359 -2.373 -1.155
160 1HD PRO 22 1HD PRO 22 -1.331 -3.166 0.855
161 2HD PRO 22 2HD PRO 22 -1.789 -2.041 -0.435
162 H SER 23 H SER 23 -3.226 -6.795 -1.192
163 HA SER 23 HA SER 23 -1.089 -8.729 -0.769
164 1HB SER 23 1HB SER 23 -2.283 -9.462 1.379
165 2HB SER 23 2HB SER 23 -1.335 -7.978 1.461
166 HG SER 23 HG SER 23 -4.109 -8.332 1.514
Start of MODEL 21
1 H ALA 1 H ALA 1 2.842 -8.372 -5.506
2 HA ALA 1 HA ALA 1 4.931 -7.621 -4.643
3 1HB ALA 1 1HB ALA 1 4.065 -4.796 -5.106
4 2HB ALA 1 2HB ALA 1 4.954 -5.671 -6.354
5 3HB ALA 1 3HB ALA 1 5.672 -5.434 -4.762
6 H LEU 2 H LEU 2 4.774 -7.698 -2.494
7 HA LEU 2 HA LEU 2 2.261 -6.837 -1.255
8 1HB LEU 2 1HB LEU 2 3.865 -9.128 -0.961
9 2HB LEU 2 2HB LEU 2 4.043 -8.228 0.533
10 HG LEU 2 HG LEU 2 1.334 -8.860 -0.609
11 1HD1 LEU 2 1HD1 LEU 2 2.593 -10.960 -0.329
12 2HD1 LEU 2 2HD1 LEU 2 1.239 -10.820 0.794
13 3HD1 LEU 2 3HD1 LEU 2 2.887 -10.535 1.358
14 1HD2 LEU 2 1HD2 LEU 2 1.488 -7.115 1.114
15 2HD2 LEU 2 2HD2 LEU 2 2.276 -8.265 2.194
16 3HD2 LEU 2 3HD2 LEU 2 0.610 -8.534 1.685
17 H GLN 3 H GLN 3 5.735 -6.853 -0.394
18 HA GLN 3 HA GLN 3 5.410 -4.767 1.539
19 1HB GLN 3 1HB GLN 3 7.215 -6.669 1.379
20 2HB GLN 3 2HB GLN 3 8.074 -5.499 0.386
21 1HG GLN 3 1HG GLN 3 8.131 -3.920 2.185
22 2HG GLN 3 2HG GLN 3 7.093 -4.944 3.175
23 1HE2 GLN 3 1HE2 GLN 3 7.953 -7.020 3.851
24 2HE2 GLN 3 2HE2 GLN 3 9.659 -7.192 4.092
25 H GLU 4 H GLU 4 6.810 -4.941 -1.726
26 HA GLU 4 HA GLU 4 7.735 -2.318 -1.927
27 1HB GLU 4 1HB GLU 4 7.204 -4.524 -3.742
28 2HB GLU 4 2HB GLU 4 6.829 -2.976 -4.487
29 1HG GLU 4 1HG GLU 4 9.431 -3.398 -3.075
30 2HG GLU 4 2HG GLU 4 9.200 -3.953 -4.732
31 H LEU 5 H LEU 5 4.530 -3.658 -2.664
32 HA LEU 5 HA LEU 5 3.438 -1.201 -3.607
33 1HB LEU 5 1HB LEU 5 2.632 -3.687 -3.914
34 2HB LEU 5 2HB LEU 5 1.734 -3.362 -2.445
35 HG LEU 5 HG LEU 5 1.506 -1.676 -4.936
36 1HD1 LEU 5 1HD1 LEU 5 -0.328 -2.898 -5.633
37 2HD1 LEU 5 2HD1 LEU 5 -0.557 -3.650 -4.055
38 3HD1 LEU 5 3HD1 LEU 5 0.781 -4.155 -5.086
39 1HD2 LEU 5 1HD2 LEU 5 0.480 -1.476 -2.233
40 2HD2 LEU 5 2HD2 LEU 5 -0.814 -1.504 -3.432
41 3HD2 LEU 5 3HD2 LEU 5 0.463 -0.292 -3.539
42 H LEU 6 H LEU 6 3.463 -2.847 -0.475
43 HA LEU 6 HA LEU 6 1.620 -1.331 0.929
44 1HB LEU 6 1HB LEU 6 3.298 -3.330 1.533
45 2HB LEU 6 2HB LEU 6 4.092 -2.028 2.376
46 HG LEU 6 HG LEU 6 2.629 -3.201 3.899
47 1HD1 LEU 6 1HD1 LEU 6 1.314 -1.366 4.729
48 2HD1 LEU 6 2HD1 LEU 6 1.380 -0.561 3.161
49 3HD1 LEU 6 3HD1 LEU 6 2.848 -0.750 4.118
50 1HD2 LEU 6 1HD2 LEU 6 0.365 -2.508 2.035
51 2HD2 LEU 6 2HD2 LEU 6 0.252 -3.385 3.560
52 3HD2 LEU 6 3HD2 LEU 6 1.093 -4.107 2.188
53 H GLY 7 H GLY 7 5.132 -0.716 0.626
54 1HA GLY 7 1HA GLY 7 5.184 1.622 2.175
55 2HA GLY 7 2HA GLY 7 6.332 1.219 0.921
56 H GLN 8 H GLN 8 4.277 1.087 -1.158
57 HA GLN 8 HA GLN 8 4.208 3.920 -1.807
58 1HB GLN 8 1HB GLN 8 3.268 1.443 -3.264
59 2HB GLN 8 2HB GLN 8 2.996 3.064 -3.886
60 1HG GLN 8 1HG GLN 8 5.655 1.755 -3.367
61 2HG GLN 8 2HG GLN 8 4.931 2.098 -4.937
62 1HE2 GLN 8 1HE2 GLN 8 4.505 4.404 -5.410
63 2HE2 GLN 8 2HE2 GLN 8 5.642 5.574 -4.834
64 H TRP 9 H TRP 9 2.042 1.368 -0.882
65 HA TRP 9 HA TRP 9 -0.429 2.710 -1.131
66 1HB TRP 9 1HB TRP 9 -0.103 0.249 -0.996
67 2HB TRP 9 2HB TRP 9 0.383 0.429 0.681
68 HD1 TRP 9 HD1 TRP 9 -2.687 1.790 -1.243
69 HE1 TRP 9 HE1 TRP 9 -4.792 1.173 0.116
70 HE3 TRP 9 HE3 TRP 9 -0.448 -0.750 2.550
71 HZ2 TRP 9 HZ2 TRP 9 -5.393 -0.218 2.512
72 HZ3 TRP 9 HZ3 TRP 9 -1.842 -1.682 4.348
73 HH2 TRP 9 HH2 TRP 9 -4.267 -1.407 4.324
74 H LEU 10 H LEU 10 1.890 2.274 1.481
75 HA LEU 10 HA LEU 10 0.323 3.577 3.485
76 1HB LEU 10 1HB LEU 10 2.478 1.952 3.561
77 2HB LEU 10 2HB LEU 10 3.260 3.503 3.801
78 HG LEU 10 HG LEU 10 0.900 2.757 5.485
79 1HD1 LEU 10 1HD1 LEU 10 2.586 0.876 5.481
80 2HD1 LEU 10 2HD1 LEU 10 2.231 1.598 7.050
81 3HD1 LEU 10 3HD1 LEU 10 3.722 2.015 6.205
82 1HD2 LEU 10 1HD2 LEU 10 3.308 4.533 5.804
83 2HD2 LEU 10 2HD2 LEU 10 2.221 4.133 7.134
84 3HD2 LEU 10 3HD2 LEU 10 1.609 5.004 5.728
85 H LYS 11 H LYS 11 2.859 4.614 1.257
86 HA LYS 11 HA LYS 11 3.481 7.105 2.303
87 1HB LYS 11 1HB LYS 11 3.577 5.862 -0.382
88 2HB LYS 11 2HB LYS 11 3.598 7.620 -0.358
89 1HG LYS 11 1HG LYS 11 5.592 7.683 0.889
90 2HG LYS 11 2HG LYS 11 5.481 5.970 1.299
91 1HD LYS 11 1HD LYS 11 6.404 5.320 -0.647
92 2HD LYS 11 2HD LYS 11 5.523 6.531 -1.582
93 1HE LYS 11 1HE LYS 11 7.763 7.164 -1.792
94 2HE LYS 11 2HE LYS 11 7.128 8.233 -0.542
95 1HZ LYS 11 1HZ LYS 11 8.093 6.788 1.137
96 2HZ LYS 11 2HZ LYS 11 9.285 7.333 0.068
97 3HZ LYS 11 3HZ LYS 11 8.694 5.753 -0.061
98 H ASP 12 H ASP 12 0.826 6.202 0.127
99 HA ASP 12 HA ASP 12 -0.224 8.840 -0.112
100 1HB ASP 12 1HB ASP 12 -0.594 6.838 -1.682
101 2HB ASP 12 2HB ASP 12 -1.805 6.304 -0.523
102 H GLY 13 H GLY 13 -0.963 6.062 1.949
103 1HA GLY 13 1HA GLY 13 -1.612 7.076 4.276
104 2HA GLY 13 2HA GLY 13 -3.020 7.604 3.367
105 H GLY 14 H GLY 14 -1.225 4.544 3.205
106 1HA GLY 14 1HA GLY 14 -1.982 2.384 3.183
107 2HA GLY 14 2HA GLY 14 -2.660 2.861 4.731
108 HA PRO 15 HA PRO 15 -6.345 1.183 2.675
109 1HB PRO 15 1HB PRO 15 -7.349 2.092 5.326
110 2HB PRO 15 2HB PRO 15 -7.646 0.580 4.479
111 1HG PRO 15 1HG PRO 15 -5.953 0.672 6.520
112 2HG PRO 15 2HG PRO 15 -5.574 -0.298 5.084
113 1HD PRO 15 1HD PRO 15 -4.471 2.352 5.920
114 2HD PRO 15 2HD PRO 15 -3.666 1.004 5.101
115 H SER 16 H SER 16 -6.207 4.225 4.521
116 HA SER 16 HA SER 16 -8.584 5.274 3.401
117 1HB SER 16 1HB SER 16 -8.158 7.218 4.624
118 2HB SER 16 2HB SER 16 -7.338 5.976 5.569
119 HG SER 16 HG SER 16 -5.396 6.669 4.800
120 H SER 17 H SER 17 -5.421 4.984 2.114
121 HA SER 17 HA SER 17 -5.111 7.227 0.525
122 1HB SER 17 1HB SER 17 -3.597 5.951 -0.803
123 2HB SER 17 2HB SER 17 -3.474 5.310 0.835
124 HG SER 17 HG SER 17 -4.279 4.081 -1.458
125 H GLY 18 H GLY 18 -7.118 4.377 -0.047
126 1HA GLY 18 1HA GLY 18 -9.181 5.226 -1.396
127 2HA GLY 18 2HA GLY 18 -7.966 5.458 -2.645
128 H ARG 19 H ARG 19 -6.396 3.237 -2.363
129 HA ARG 19 HA ARG 19 -8.217 1.128 -3.263
130 1HB ARG 19 1HB ARG 19 -6.210 0.082 -4.223
131 2HB ARG 19 2HB ARG 19 -6.405 1.735 -4.785
132 1HG ARG 19 1HG ARG 19 -4.495 2.427 -3.824
133 2HG ARG 19 2HG ARG 19 -4.732 1.427 -2.390
134 1HD ARG 19 1HD ARG 19 -3.619 -0.342 -3.272
135 2HD ARG 19 2HD ARG 19 -4.148 0.008 -4.917
136 HE ARG 19 HE ARG 19 -2.240 1.879 -3.809
137 1HH1 ARG 19 1HH1 ARG 19 -2.686 -1.045 -5.687
138 2HH1 ARG 19 2HH1 ARG 19 -1.154 -0.911 -6.481
139 1HH2 ARG 19 1HH2 ARG 19 -0.224 2.044 -4.859
140 2HH2 ARG 19 2HH2 ARG 19 0.243 0.840 -6.012
141 HA PRO 20 HA PRO 20 -7.508 -1.428 0.273
142 1HB PRO 20 1HB PRO 20 -7.554 -3.919 -0.763
143 2HB PRO 20 2HB PRO 20 -8.998 -2.904 -0.688
144 1HG PRO 20 1HG PRO 20 -7.173 -3.435 -2.999
145 2HG PRO 20 2HG PRO 20 -8.944 -3.366 -2.966
146 1HD PRO 20 1HD PRO 20 -7.381 -1.304 -3.822
147 2HD PRO 20 2HD PRO 20 -8.979 -1.074 -3.089
148 HA PRO 21 HA PRO 21 -3.289 -2.589 0.895
149 1HB PRO 21 1HB PRO 21 -3.464 -5.059 2.099
150 2HB PRO 21 2HB PRO 21 -3.718 -3.524 2.932
151 1HG PRO 21 1HG PRO 21 -5.730 -5.439 1.829
152 2HG PRO 21 2HG PRO 21 -5.767 -4.526 3.348
153 1HD PRO 21 1HD PRO 21 -7.191 -3.760 1.202
154 2HD PRO 21 2HD PRO 21 -6.462 -2.579 2.309
155 HA PRO 22 HA PRO 22 -1.960 -5.191 -2.434
156 1HB PRO 22 1HB PRO 22 0.580 -5.708 -1.107
157 2HB PRO 22 2HB PRO 22 0.242 -4.673 -2.493
158 1HG PRO 22 1HG PRO 22 0.966 -3.709 -0.056
159 2HG PRO 22 2HG PRO 22 -0.052 -2.810 -1.194
160 1HD PRO 22 1HD PRO 22 -0.849 -4.392 1.221
161 2HD PRO 22 2HD PRO 22 -1.458 -2.825 0.648
162 H SER 23 H SER 23 -3.594 -6.814 -1.525
163 HA SER 23 HA SER 23 -2.259 -9.354 -1.249
164 1HB SER 23 1HB SER 23 -2.521 -8.401 1.114
165 2HB SER 23 2HB SER 23 -4.255 -8.633 0.897
166 HG SER 23 HG SER 23 -4.006 -10.728 1.081
Start of MODEL 22
1 H ALA 1 H ALA 1 7.576 -6.813 -2.899
2 HA ALA 1 HA ALA 1 6.389 -6.329 -5.045
3 1HB ALA 1 1HB ALA 1 5.421 -9.130 -4.528
4 2HB ALA 1 2HB ALA 1 6.405 -8.612 -5.897
5 3HB ALA 1 3HB ALA 1 4.756 -8.011 -5.717
6 H LEU 2 H LEU 2 5.326 -8.319 -2.339
7 HA LEU 2 HA LEU 2 2.937 -6.855 -1.867
8 1HB LEU 2 1HB LEU 2 4.470 -8.690 -0.022
9 2HB LEU 2 2HB LEU 2 2.848 -8.095 0.272
10 HG LEU 2 HG LEU 2 3.502 -9.718 -2.174
11 1HD1 LEU 2 1HD1 LEU 2 2.749 -11.700 -0.970
12 2HD1 LEU 2 2HD1 LEU 2 2.618 -10.758 0.515
13 3HD1 LEU 2 3HD1 LEU 2 4.197 -11.019 -0.228
14 1HD2 LEU 2 1HD2 LEU 2 0.941 -9.257 -0.647
15 2HD2 LEU 2 2HD2 LEU 2 1.119 -10.205 -2.124
16 3HD2 LEU 2 3HD2 LEU 2 1.396 -8.463 -2.155
17 H GLN 3 H GLN 3 6.081 -6.921 -0.192
18 HA GLN 3 HA GLN 3 5.450 -4.879 1.669
19 1HB GLN 3 1HB GLN 3 7.366 -6.643 1.696
20 2HB GLN 3 2HB GLN 3 8.254 -5.453 0.754
21 1HG GLN 3 1HG GLN 3 8.933 -4.831 2.817
22 2HG GLN 3 2HG GLN 3 7.462 -3.864 2.726
23 1HE2 GLN 3 1HE2 GLN 3 9.052 -6.532 4.233
24 2HE2 GLN 3 2HE2 GLN 3 7.836 -6.863 5.420
25 H GLU 4 H GLU 4 7.024 -4.853 -1.507
26 HA GLU 4 HA GLU 4 7.846 -2.166 -1.512
27 1HB GLU 4 1HB GLU 4 7.031 -3.871 -3.875
28 2HB GLU 4 2HB GLU 4 7.963 -2.383 -3.955
29 1HG GLU 4 1HG GLU 4 8.792 -5.037 -2.828
30 2HG GLU 4 2HG GLU 4 9.507 -4.144 -4.169
31 H LEU 5 H LEU 5 4.829 -3.675 -2.649
32 HA LEU 5 HA LEU 5 3.660 -1.268 -3.591
33 1HB LEU 5 1HB LEU 5 3.023 -3.757 -4.048
34 2HB LEU 5 2HB LEU 5 2.029 -3.582 -2.615
35 HG LEU 5 HG LEU 5 1.802 -1.744 -4.993
36 1HD1 LEU 5 1HD1 LEU 5 -0.370 -3.620 -4.686
37 2HD1 LEU 5 2HD1 LEU 5 1.160 -4.448 -4.977
38 3HD1 LEU 5 3HD1 LEU 5 0.589 -3.227 -6.113
39 1HD2 LEU 5 1HD2 LEU 5 -0.619 -1.925 -3.655
40 2HD2 LEU 5 2HD2 LEU 5 0.533 -0.593 -3.569
41 3HD2 LEU 5 3HD2 LEU 5 0.584 -1.879 -2.366
42 H LEU 6 H LEU 6 3.621 -2.925 -0.473
43 HA LEU 6 HA LEU 6 1.574 -1.483 0.784
44 1HB LEU 6 1HB LEU 6 3.105 -3.512 1.507
45 2HB LEU 6 2HB LEU 6 3.972 -2.259 2.354
46 HG LEU 6 HG LEU 6 2.405 -3.319 3.857
47 1HD1 LEU 6 1HD1 LEU 6 2.800 -0.829 3.950
48 2HD1 LEU 6 2HD1 LEU 6 1.327 -1.411 4.728
49 3HD1 LEU 6 3HD1 LEU 6 1.243 -0.641 3.144
50 1HD2 LEU 6 1HD2 LEU 6 0.822 -4.155 2.192
51 2HD2 LEU 6 2HD2 LEU 6 0.256 -2.510 1.903
52 3HD2 LEU 6 3HD2 LEU 6 0.001 -3.265 3.476
53 H GLY 7 H GLY 7 5.086 -0.862 0.703
54 1HA GLY 7 1HA GLY 7 5.033 1.479 2.269
55 2HA GLY 7 2HA GLY 7 6.273 1.062 1.103
56 H GLN 8 H GLN 8 4.346 0.890 -1.106
57 HA GLN 8 HA GLN 8 4.359 3.689 -1.851
58 1HB GLN 8 1HB GLN 8 4.797 1.893 -3.511
59 2HB GLN 8 2HB GLN 8 3.158 1.301 -3.283
60 1HG GLN 8 1HG GLN 8 3.091 2.552 -5.255
61 2HG GLN 8 2HG GLN 8 2.377 3.594 -4.026
62 1HE2 GLN 8 1HE2 GLN 8 3.402 5.475 -3.448
63 2HE2 GLN 8 2HE2 GLN 8 4.783 6.094 -4.286
64 H TRP 9 H TRP 9 2.056 1.225 -0.969
65 HA TRP 9 HA TRP 9 -0.345 2.666 -1.293
66 1HB TRP 9 1HB TRP 9 -0.140 0.201 -1.121
67 2HB TRP 9 2HB TRP 9 0.329 0.377 0.562
68 HD1 TRP 9 HD1 TRP 9 -2.649 1.890 -1.399
69 HE1 TRP 9 HE1 TRP 9 -4.795 1.376 -0.061
70 HE3 TRP 9 HE3 TRP 9 -0.579 -0.792 2.390
71 HZ2 TRP 9 HZ2 TRP 9 -5.490 0.006 2.321
72 HZ3 TRP 9 HZ3 TRP 9 -2.033 -1.663 4.171
73 HH2 TRP 9 HH2 TRP 9 -4.440 -1.262 4.132
74 H LEU 10 H LEU 10 1.876 2.181 1.393
75 HA LEU 10 HA LEU 10 0.327 3.521 3.363
76 1HB LEU 10 1HB LEU 10 2.370 1.885 3.572
77 2HB LEU 10 2HB LEU 10 3.305 3.366 3.523
78 HG LEU 10 HG LEU 10 1.678 4.113 5.445
79 1HD1 LEU 10 1HD1 LEU 10 0.225 2.142 5.262
80 2HD1 LEU 10 2HD1 LEU 10 0.963 2.278 6.858
81 3HD1 LEU 10 3HD1 LEU 10 1.588 1.109 5.696
82 1HD2 LEU 10 1HD2 LEU 10 3.917 2.132 5.851
83 2HD2 LEU 10 2HD2 LEU 10 3.260 3.205 7.086
84 3HD2 LEU 10 3HD2 LEU 10 4.085 3.879 5.680
85 H LYS 11 H LYS 11 2.750 4.592 1.044
86 HA LYS 11 HA LYS 11 3.379 7.092 2.093
87 1HB LYS 11 1HB LYS 11 4.288 5.820 -0.009
88 2HB LYS 11 2HB LYS 11 3.044 6.722 -0.864
89 1HG LYS 11 1HG LYS 11 4.049 8.771 -0.425
90 2HG LYS 11 2HG LYS 11 5.000 8.125 0.913
91 1HD LYS 11 1HD LYS 11 6.639 8.204 -0.661
92 2HD LYS 11 2HD LYS 11 5.986 6.611 -1.045
93 1HE LYS 11 1HE LYS 11 4.550 7.655 -2.767
94 2HE LYS 11 2HE LYS 11 5.298 9.211 -2.413
95 1HZ LYS 11 1HZ LYS 11 6.267 8.075 -4.356
96 2HZ LYS 11 2HZ LYS 11 6.782 6.816 -3.351
97 3HZ LYS 11 3HZ LYS 11 7.405 8.375 -3.141
98 H ASP 12 H ASP 12 0.687 6.138 -0.017
99 HA ASP 12 HA ASP 12 -0.391 8.779 -0.226
100 1HB ASP 12 1HB ASP 12 -0.731 6.843 -1.857
101 2HB ASP 12 2HB ASP 12 -1.890 6.199 -0.705
102 H GLY 13 H GLY 13 -0.891 6.040 1.919
103 1HA GLY 13 1HA GLY 13 -1.596 6.949 4.212
104 2HA GLY 13 2HA GLY 13 -3.008 7.522 3.339
105 H GLY 14 H GLY 14 -1.295 4.429 3.000
106 1HA GLY 14 1HA GLY 14 -2.132 2.296 2.911
107 2HA GLY 14 2HA GLY 14 -2.665 2.711 4.530
108 HA PRO 15 HA PRO 15 -6.587 1.261 2.781
109 1HB PRO 15 1HB PRO 15 -7.338 2.244 5.492
110 2HB PRO 15 2HB PRO 15 -7.786 0.745 4.685
111 1HG PRO 15 1HG PRO 15 -5.941 0.740 6.586
112 2HG PRO 15 2HG PRO 15 -5.717 -0.243 5.126
113 1HD PRO 15 1HD PRO 15 -4.434 2.352 5.873
114 2HD PRO 15 2HD PRO 15 -3.748 0.965 5.014
115 H SER 16 H SER 16 -6.177 4.273 4.630
116 HA SER 16 HA SER 16 -8.542 5.486 3.675
117 1HB SER 16 1HB SER 16 -6.057 6.656 4.936
118 2HB SER 16 2HB SER 16 -7.488 7.611 4.546
119 HG SER 16 HG SER 16 -7.452 6.826 6.726
120 H SER 17 H SER 17 -5.401 5.124 2.263
121 HA SER 17 HA SER 17 -5.113 7.321 0.631
122 1HB SER 17 1HB SER 17 -3.657 6.029 -0.697
123 2HB SER 17 2HB SER 17 -3.567 5.288 0.898
124 HG SER 17 HG SER 17 -3.933 3.942 -1.145
125 H GLY 18 H GLY 18 -7.185 4.497 0.120
126 1HA GLY 18 1HA GLY 18 -9.302 5.385 -1.114
127 2HA GLY 18 2HA GLY 18 -8.145 5.636 -2.411
128 H ARG 19 H ARG 19 -6.577 3.392 -2.239
129 HA ARG 19 HA ARG 19 -8.459 1.320 -3.099
130 1HB ARG 19 1HB ARG 19 -6.538 0.284 -4.205
131 2HB ARG 19 2HB ARG 19 -6.715 1.963 -4.694
132 1HG ARG 19 1HG ARG 19 -4.739 2.565 -3.812
133 2HG ARG 19 2HG ARG 19 -4.928 1.521 -2.404
134 1HD ARG 19 1HD ARG 19 -3.487 0.100 -3.317
135 2HD ARG 19 2HD ARG 19 -4.649 -0.193 -4.610
136 HE ARG 19 HE ARG 19 -3.273 2.133 -5.255
137 1HH1 ARG 19 1HH1 ARG 19 -2.552 -1.267 -4.821
138 2HH1 ARG 19 2HH1 ARG 19 -1.229 -1.253 -5.938
139 1HH2 ARG 19 1HH2 ARG 19 -1.531 2.144 -6.724
140 2HH2 ARG 19 2HH2 ARG 19 -0.650 0.683 -7.019
141 HA PRO 20 HA PRO 20 -7.643 -1.355 0.321
142 1HB PRO 20 1HB PRO 20 -7.510 -3.703 -1.417
143 2HB PRO 20 2HB PRO 20 -8.761 -3.242 -0.260
144 1HG PRO 20 1HG PRO 20 -9.167 -3.195 -2.932
145 2HG PRO 20 2HG PRO 20 -9.959 -2.057 -1.825
146 1HD PRO 20 1HD PRO 20 -7.562 -1.640 -3.577
147 2HD PRO 20 2HD PRO 20 -8.937 -0.555 -3.271
148 HA PRO 21 HA PRO 21 -3.385 -2.456 0.747
149 1HB PRO 21 1HB PRO 21 -3.469 -4.882 2.016
150 2HB PRO 21 2HB PRO 21 -3.760 -3.338 2.822
151 1HG PRO 21 1HG PRO 21 -5.732 -5.337 1.789
152 2HG PRO 21 2HG PRO 21 -5.758 -4.419 3.306
153 1HD PRO 21 1HD PRO 21 -7.256 -3.710 1.187
154 2HD PRO 21 2HD PRO 21 -6.546 -2.503 2.278
155 HA PRO 22 HA PRO 22 -2.248 -5.099 -2.630
156 1HB PRO 22 1HB PRO 22 0.384 -5.425 -2.131
157 2HB PRO 22 2HB PRO 22 -0.292 -3.879 -2.655
158 1HG PRO 22 1HG PRO 22 0.458 -4.780 0.097
159 2HG PRO 22 2HG PRO 22 0.749 -3.217 -0.686
160 1HD PRO 22 1HD PRO 22 -1.285 -3.655 1.080
161 2HD PRO 22 2HD PRO 22 -1.364 -2.452 -0.221
162 H SER 23 H SER 23 -3.654 -6.773 -1.465
163 HA SER 23 HA SER 23 -2.063 -9.171 -1.106
164 1HB SER 23 1HB SER 23 -2.390 -8.119 1.185
165 2HB SER 23 2HB SER 23 -4.111 -8.456 0.996
166 HG SER 23 HG SER 23 -3.749 -10.527 1.283
Start of MODEL 23
1 H ALA 1 H ALA 1 4.830 -8.013 -6.128
2 HA ALA 1 HA ALA 1 6.426 -8.122 -4.377
3 1HB ALA 1 1HB ALA 1 8.176 -6.773 -5.351
4 2HB ALA 1 2HB ALA 1 7.710 -6.099 -3.790
5 3HB ALA 1 3HB ALA 1 7.154 -5.338 -5.280
6 H LEU 2 H LEU 2 4.779 -8.294 -2.982
7 HA LEU 2 HA LEU 2 2.714 -6.347 -2.715
8 1HB LEU 2 1HB LEU 2 3.477 -8.725 -1.025
9 2HB LEU 2 2HB LEU 2 2.079 -7.719 -0.694
10 HG LEU 2 HG LEU 2 2.503 -9.282 -3.243
11 1HD1 LEU 2 1HD1 LEU 2 0.834 -9.877 -0.808
12 2HD1 LEU 2 2HD1 LEU 2 2.176 -10.826 -1.446
13 3HD1 LEU 2 3HD1 LEU 2 0.669 -10.708 -2.354
14 1HD2 LEU 2 1HD2 LEU 2 1.079 -7.605 -3.885
15 2HD2 LEU 2 2HD2 LEU 2 0.394 -7.417 -2.271
16 3HD2 LEU 2 3HD2 LEU 2 -0.076 -8.789 -3.275
17 H GLN 3 H GLN 3 5.573 -7.180 -0.781
18 HA GLN 3 HA GLN 3 5.098 -5.429 1.364
19 1HB GLN 3 1HB GLN 3 6.980 -7.309 0.838
20 2HB GLN 3 2HB GLN 3 7.919 -5.847 0.572
21 1HG GLN 3 1HG GLN 3 6.362 -6.449 3.076
22 2HG GLN 3 2HG GLN 3 8.089 -6.740 2.868
23 1HE2 GLN 3 1HE2 GLN 3 9.428 -4.847 2.360
24 2HE2 GLN 3 2HE2 GLN 3 8.989 -3.319 3.043
25 H GLU 4 H GLU 4 6.881 -4.965 -1.676
26 HA GLU 4 HA GLU 4 7.788 -2.349 -1.146
27 1HB GLU 4 1HB GLU 4 7.329 -3.897 -3.686
28 2HB GLU 4 2HB GLU 4 7.863 -2.222 -3.725
29 1HG GLU 4 1HG GLU 4 9.786 -2.916 -2.261
30 2HG GLU 4 2HG GLU 4 9.294 -4.584 -2.543
31 H LEU 5 H LEU 5 4.858 -3.563 -2.738
32 HA LEU 5 HA LEU 5 3.818 -1.065 -3.515
33 1HB LEU 5 1HB LEU 5 3.096 -3.648 -3.922
34 2HB LEU 5 2HB LEU 5 1.859 -3.131 -2.794
35 HG LEU 5 HG LEU 5 1.580 -2.905 -5.424
36 1HD1 LEU 5 1HD1 LEU 5 0.596 -1.094 -3.253
37 2HD1 LEU 5 2HD1 LEU 5 -0.242 -2.422 -4.057
38 3HD1 LEU 5 3HD1 LEU 5 0.052 -0.914 -4.921
39 1HD2 LEU 5 1HD2 LEU 5 3.605 -1.387 -5.519
40 2HD2 LEU 5 2HD2 LEU 5 2.600 -0.168 -4.733
41 3HD2 LEU 5 3HD2 LEU 5 2.143 -0.803 -6.314
42 H LEU 6 H LEU 6 3.772 -2.764 -0.464
43 HA LEU 6 HA LEU 6 1.641 -1.399 0.780
44 1HB LEU 6 1HB LEU 6 3.324 -3.422 1.452
45 2HB LEU 6 2HB LEU 6 3.891 -2.152 2.505
46 HG LEU 6 HG LEU 6 2.232 -3.623 3.590
47 1HD1 LEU 6 1HD1 LEU 6 0.759 -1.832 4.434
48 2HD1 LEU 6 2HD1 LEU 6 1.350 -0.774 3.153
49 3HD1 LEU 6 3HD1 LEU 6 2.458 -1.362 4.392
50 1HD2 LEU 6 1HD2 LEU 6 0.250 -2.475 1.636
51 2HD2 LEU 6 2HD2 LEU 6 -0.055 -3.664 2.901
52 3HD2 LEU 6 3HD2 LEU 6 0.939 -4.093 1.509
53 H GLY 7 H GLY 7 5.146 -0.758 0.718
54 1HA GLY 7 1HA GLY 7 5.074 1.503 2.412
55 2HA GLY 7 2HA GLY 7 6.329 1.140 1.244
56 H GLN 8 H GLN 8 4.456 1.064 -1.001
57 HA GLN 8 HA GLN 8 4.448 3.896 -1.611
58 1HB GLN 8 1HB GLN 8 3.289 1.580 -3.188
59 2HB GLN 8 2HB GLN 8 3.533 3.213 -3.788
60 1HG GLN 8 1HG GLN 8 5.597 1.148 -3.107
61 2HG GLN 8 2HG GLN 8 5.299 1.937 -4.654
62 1HE2 GLN 8 1HE2 GLN 8 5.740 4.268 -4.756
63 2HE2 GLN 8 2HE2 GLN 8 7.044 4.905 -3.816
64 H TRP 9 H TRP 9 2.158 1.365 -0.892
65 HA TRP 9 HA TRP 9 -0.258 2.773 -1.199
66 1HB TRP 9 1HB TRP 9 -0.039 0.318 -1.093
67 2HB TRP 9 2HB TRP 9 0.464 0.439 0.583
68 HD1 TRP 9 HD1 TRP 9 -2.589 1.910 -1.290
69 HE1 TRP 9 HE1 TRP 9 -4.697 1.310 0.075
70 HE3 TRP 9 HE3 TRP 9 -0.372 -0.738 2.439
71 HZ2 TRP 9 HZ2 TRP 9 -5.309 -0.106 2.457
72 HZ3 TRP 9 HZ3 TRP 9 -1.769 -1.672 4.235
73 HH2 TRP 9 HH2 TRP 9 -4.187 -1.348 4.236
74 H LEU 10 H LEU 10 1.911 2.211 1.525
75 HA LEU 10 HA LEU 10 0.335 3.507 3.499
76 1HB LEU 10 1HB LEU 10 2.363 1.876 3.724
77 2HB LEU 10 2HB LEU 10 3.319 3.344 3.666
78 HG LEU 10 HG LEU 10 1.673 4.103 5.588
79 1HD1 LEU 10 1HD1 LEU 10 1.034 2.256 7.033
80 2HD1 LEU 10 2HD1 LEU 10 1.655 1.100 5.855
81 3HD1 LEU 10 3HD1 LEU 10 0.264 2.106 5.454
82 1HD2 LEU 10 1HD2 LEU 10 3.297 3.284 7.218
83 2HD2 LEU 10 2HD2 LEU 10 4.098 3.918 5.781
84 3HD2 LEU 10 3HD2 LEU 10 3.954 2.175 6.013
85 H LYS 11 H LYS 11 2.737 4.650 1.204
86 HA LYS 11 HA LYS 11 3.308 7.151 2.332
87 1HB LYS 11 1HB LYS 11 4.279 5.871 0.219
88 2HB LYS 11 2HB LYS 11 3.116 6.876 -0.635
89 1HG LYS 11 1HG LYS 11 4.149 8.879 0.318
90 2HG LYS 11 2HG LYS 11 5.320 7.864 1.163
91 1HD LYS 11 1HD LYS 11 6.588 8.255 -0.663
92 2HD LYS 11 2HD LYS 11 5.622 6.954 -1.363
93 1HE LYS 11 1HE LYS 11 5.422 8.575 -2.981
94 2HE LYS 11 2HE LYS 11 3.997 8.901 -1.998
95 1HZ LYS 11 1HZ LYS 11 5.205 10.657 -0.872
96 2HZ LYS 11 2HZ LYS 11 5.208 10.928 -2.542
97 3HZ LYS 11 3HZ LYS 11 6.594 10.328 -1.781
98 H ASP 12 H ASP 12 0.571 6.016 0.468
99 HA ASP 12 HA ASP 12 -0.546 8.719 0.324
100 1HB ASP 12 1HB ASP 12 -0.470 6.971 -1.631
101 2HB ASP 12 2HB ASP 12 -1.885 6.297 -0.835
102 H GLY 13 H GLY 13 -0.354 7.428 2.888
103 1HA GLY 13 1HA GLY 13 -1.660 7.286 4.775
104 2HA GLY 13 2HA GLY 13 -3.031 7.793 3.801
105 H GLY 14 H GLY 14 -1.061 4.954 3.119
106 1HA GLY 14 1HA GLY 14 -1.664 2.768 2.811
107 2HA GLY 14 2HA GLY 14 -2.314 2.939 4.432
108 HA PRO 15 HA PRO 15 -6.069 1.453 2.440
109 1HB PRO 15 1HB PRO 15 -7.089 2.339 5.091
110 2HB PRO 15 2HB PRO 15 -7.363 0.828 4.236
111 1HG PRO 15 1HG PRO 15 -5.691 0.930 6.293
112 2HG PRO 15 2HG PRO 15 -5.292 -0.035 4.861
113 1HD PRO 15 1HD PRO 15 -4.229 2.629 5.701
114 2HD PRO 15 2HD PRO 15 -3.392 1.284 4.907
115 H SER 16 H SER 16 -5.892 4.468 4.310
116 HA SER 16 HA SER 16 -8.271 5.609 3.461
117 1HB SER 16 1HB SER 16 -6.624 6.432 5.264
118 2HB SER 16 2HB SER 16 -5.792 7.254 3.944
119 HG SER 16 HG SER 16 -8.271 7.777 5.094
120 H SER 17 H SER 17 -5.268 5.237 1.741
121 HA SER 17 HA SER 17 -5.286 7.231 -0.137
122 1HB SER 17 1HB SER 17 -4.020 5.774 -1.568
123 2HB SER 17 2HB SER 17 -3.579 5.390 0.094
124 HG SER 17 HG SER 17 -4.842 3.560 -0.010
125 H GLY 18 H GLY 18 -7.105 4.176 -0.280
126 1HA GLY 18 1HA GLY 18 -9.466 4.808 -1.236
127 2HA GLY 18 2HA GLY 18 -8.508 5.102 -2.680
128 H ARG 19 H ARG 19 -6.658 2.988 -2.370
129 HA ARG 19 HA ARG 19 -8.353 0.751 -3.170
130 1HB ARG 19 1HB ARG 19 -6.268 -0.237 -4.035
131 2HB ARG 19 2HB ARG 19 -6.554 1.370 -4.688
132 1HG ARG 19 1HG ARG 19 -4.536 1.985 -4.022
133 2HG ARG 19 2HG ARG 19 -5.000 1.685 -2.349
134 1HD ARG 19 1HD ARG 19 -3.069 0.379 -2.738
135 2HD ARG 19 2HD ARG 19 -4.433 -0.737 -2.747
136 HE ARG 19 HE ARG 19 -3.655 0.242 -5.349
137 1HH1 ARG 19 1HH1 ARG 19 -3.183 -2.259 -2.942
138 2HH1 ARG 19 2HH1 ARG 19 -2.589 -3.415 -4.083
139 1HH2 ARG 19 1HH2 ARG 19 -2.871 -1.290 -6.847
140 2HH2 ARG 19 2HH2 ARG 19 -2.412 -2.867 -6.299
141 HA PRO 20 HA PRO 20 -7.737 -1.542 0.559
142 1HB PRO 20 1HB PRO 20 -7.694 -4.026 -1.001
143 2HB PRO 20 2HB PRO 20 -8.900 -3.451 0.154
144 1HG PRO 20 1HG PRO 20 -9.391 -3.568 -2.496
145 2HG PRO 20 2HG PRO 20 -10.094 -2.315 -1.456
146 1HD PRO 20 1HD PRO 20 -7.744 -2.143 -3.311
147 2HD PRO 20 2HD PRO 20 -9.054 -0.973 -3.038
148 HA PRO 21 HA PRO 21 -3.538 -2.642 1.327
149 1HB PRO 21 1HB PRO 21 -4.485 -5.310 2.254
150 2HB PRO 21 2HB PRO 21 -3.447 -4.136 3.069
151 1HG PRO 21 1HG PRO 21 -6.006 -4.445 3.774
152 2HG PRO 21 2HG PRO 21 -5.230 -2.852 3.782
153 1HD PRO 21 1HD PRO 21 -7.198 -3.988 1.867
154 2HD PRO 21 2HD PRO 21 -6.958 -2.308 2.376
155 HA PRO 22 HA PRO 22 -2.468 -4.748 -2.490
156 1HB PRO 22 1HB PRO 22 0.239 -4.606 -1.284
157 2HB PRO 22 2HB PRO 22 -0.315 -4.062 -2.870
158 1HG PRO 22 1HG PRO 22 0.206 -2.315 -0.917
159 2HG PRO 22 2HG PRO 22 -1.140 -2.063 -2.044
160 1HD PRO 22 1HD PRO 22 -1.190 -3.000 0.788
161 2HD PRO 22 2HD PRO 22 -2.334 -1.957 -0.074
162 H SER 23 H SER 23 -0.783 -5.681 0.492
163 HA SER 23 HA SER 23 -0.428 -8.394 -0.373
164 1HB SER 23 1HB SER 23 0.419 -8.733 1.981
165 2HB SER 23 2HB SER 23 1.264 -7.487 1.064
166 HG SER 23 HG SER 23 0.722 -6.153 2.578
Start of MODEL 24
1 H ALA 1 H ALA 1 3.883 -7.287 -5.833
2 HA ALA 1 HA ALA 1 5.581 -8.414 -3.709
3 1HB ALA 1 1HB ALA 1 5.642 -5.621 -4.820
4 2HB ALA 1 2HB ALA 1 6.658 -6.917 -5.452
5 3HB ALA 1 3HB ALA 1 6.818 -6.412 -3.769
6 H LEU 2 H LEU 2 4.717 -8.249 -1.756
7 HA LEU 2 HA LEU 2 2.328 -6.637 -1.358
8 1HB LEU 2 1HB LEU 2 3.636 -8.895 0.041
9 2HB LEU 2 2HB LEU 2 2.752 -7.769 1.052
10 HG LEU 2 HG LEU 2 1.410 -8.898 -1.369
11 1HD1 LEU 2 1HD1 LEU 2 2.414 -10.827 -0.222
12 2HD1 LEU 2 2HD1 LEU 2 0.654 -10.824 -0.109
13 3HD1 LEU 2 3HD1 LEU 2 1.627 -10.330 1.276
14 1HD2 LEU 2 1HD2 LEU 2 -0.569 -8.666 0.068
15 2HD2 LEU 2 2HD2 LEU 2 0.296 -7.140 -0.119
16 3HD2 LEU 2 3HD2 LEU 2 0.459 -8.068 1.371
17 H GLN 3 H GLN 3 5.486 -7.042 0.269
18 HA GLN 3 HA GLN 3 5.181 -4.818 1.987
19 1HB GLN 3 1HB GLN 3 7.481 -6.529 1.138
20 2HB GLN 3 2HB GLN 3 7.807 -5.037 2.009
21 1HG GLN 3 1HG GLN 3 5.949 -6.034 3.626
22 2HG GLN 3 2HG GLN 3 6.544 -7.546 2.941
23 1HE2 GLN 3 1HE2 GLN 3 8.633 -8.219 3.390
24 2HE2 GLN 3 2HE2 GLN 3 9.591 -7.500 4.638
25 H GLU 4 H GLU 4 6.800 -5.184 -1.158
26 HA GLU 4 HA GLU 4 7.946 -2.635 -1.305
27 1HB GLU 4 1HB GLU 4 6.935 -4.401 -3.540
28 2HB GLU 4 2HB GLU 4 7.957 -2.990 -3.765
29 1HG GLU 4 1HG GLU 4 8.700 -5.460 -2.212
30 2HG GLU 4 2HG GLU 4 9.227 -5.073 -3.850
31 H LEU 5 H LEU 5 4.789 -3.776 -2.513
32 HA LEU 5 HA LEU 5 3.978 -1.224 -3.477
33 1HB LEU 5 1HB LEU 5 3.084 -3.564 -4.100
34 2HB LEU 5 2HB LEU 5 2.078 -3.404 -2.674
35 HG LEU 5 HG LEU 5 2.031 -1.212 -4.698
36 1HD1 LEU 5 1HD1 LEU 5 1.713 -2.918 -6.225
37 2HD1 LEU 5 2HD1 LEU 5 0.063 -2.552 -5.719
38 3HD1 LEU 5 3HD1 LEU 5 0.900 -3.957 -5.055
39 1HD2 LEU 5 1HD2 LEU 5 0.168 -0.585 -3.623
40 2HD2 LEU 5 2HD2 LEU 5 0.739 -1.641 -2.333
41 3HD2 LEU 5 3HD2 LEU 5 -0.439 -2.236 -3.503
42 H LEU 6 H LEU 6 3.669 -2.874 -0.392
43 HA LEU 6 HA LEU 6 1.665 -1.403 0.842
44 1HB LEU 6 1HB LEU 6 3.749 -3.170 1.618
45 2HB LEU 6 2HB LEU 6 3.719 -1.842 2.746
46 HG LEU 6 HG LEU 6 2.351 -3.952 3.295
47 1HD1 LEU 6 1HD1 LEU 6 0.450 -2.479 4.173
48 2HD1 LEU 6 2HD1 LEU 6 1.339 -1.137 3.453
49 3HD1 LEU 6 3HD1 LEU 6 2.092 -2.120 4.707
50 1HD2 LEU 6 1HD2 LEU 6 0.364 -2.636 1.455
51 2HD2 LEU 6 2HD2 LEU 6 0.170 -4.133 2.366
52 3HD2 LEU 6 3HD2 LEU 6 1.307 -4.060 1.021
53 H GLY 7 H GLY 7 5.153 -0.694 0.668
54 1HA GLY 7 1HA GLY 7 5.116 1.630 2.249
55 2HA GLY 7 2HA GLY 7 6.313 1.253 1.027
56 H GLN 8 H GLN 8 4.538 1.139 -1.195
57 HA GLN 8 HA GLN 8 4.378 3.944 -1.818
58 1HB GLN 8 1HB GLN 8 4.597 1.688 -3.343
59 2HB GLN 8 2HB GLN 8 2.887 2.050 -3.535
60 1HG GLN 8 1HG GLN 8 5.142 3.965 -4.096
61 2HG GLN 8 2HG GLN 8 4.271 3.027 -5.308
62 1HE2 GLN 8 1HE2 GLN 8 4.251 5.808 -3.295
63 2HE2 GLN 8 2HE2 GLN 8 2.746 6.465 -3.840
64 H TRP 9 H TRP 9 2.148 1.363 -1.065
65 HA TRP 9 HA TRP 9 -0.302 2.694 -1.343
66 1HB TRP 9 1HB TRP 9 -0.048 0.264 -1.186
67 2HB TRP 9 2HB TRP 9 0.555 0.416 0.452
68 HD1 TRP 9 HD1 TRP 9 -2.653 1.702 -1.292
69 HE1 TRP 9 HE1 TRP 9 -4.652 1.117 0.237
70 HE3 TRP 9 HE3 TRP 9 -0.116 -0.642 2.436
71 HZ2 TRP 9 HZ2 TRP 9 -5.063 -0.175 2.729
72 HZ3 TRP 9 HZ3 TRP 9 -1.366 -1.514 4.366
73 HH2 TRP 9 HH2 TRP 9 -3.789 -1.275 4.503
74 H LEU 10 H LEU 10 1.907 2.269 1.374
75 HA LEU 10 HA LEU 10 0.314 3.591 3.319
76 1HB LEU 10 1HB LEU 10 2.838 2.270 3.228
77 2HB LEU 10 2HB LEU 10 3.069 3.834 3.984
78 HG LEU 10 HG LEU 10 1.188 3.253 5.555
79 1HD1 LEU 10 1HD1 LEU 10 0.597 0.893 5.782
80 2HD1 LEU 10 2HD1 LEU 10 1.563 0.513 4.355
81 3HD1 LEU 10 3HD1 LEU 10 0.127 1.525 4.204
82 1HD2 LEU 10 1HD2 LEU 10 3.538 3.088 6.205
83 2HD2 LEU 10 2HD2 LEU 10 3.600 1.442 5.576
84 3HD2 LEU 10 3HD2 LEU 10 2.574 1.819 6.959
85 H LYS 11 H LYS 11 2.669 4.706 0.970
86 HA LYS 11 HA LYS 11 3.220 7.244 2.018
87 1HB LYS 11 1HB LYS 11 4.480 6.247 0.157
88 2HB LYS 11 2HB LYS 11 3.069 6.385 -0.880
89 1HG LYS 11 1HG LYS 11 3.793 8.925 0.318
90 2HG LYS 11 2HG LYS 11 5.108 8.224 -0.625
91 1HD LYS 11 1HD LYS 11 4.089 8.706 -2.548
92 2HD LYS 11 2HD LYS 11 2.585 7.956 -2.007
93 1HE LYS 11 1HE LYS 11 1.964 10.162 -2.372
94 2HE LYS 11 2HE LYS 11 2.264 10.119 -0.636
95 1HZ LYS 11 1HZ LYS 11 4.193 11.075 -2.683
96 2HZ LYS 11 2HZ LYS 11 4.440 11.076 -1.010
97 3HZ LYS 11 3HZ LYS 11 3.251 12.068 -1.688
98 H ASP 12 H ASP 12 0.479 6.028 0.195
99 HA ASP 12 HA ASP 12 -0.675 8.698 -0.056
100 1HB ASP 12 1HB ASP 12 -0.679 6.799 -1.860
101 2HB ASP 12 2HB ASP 12 -2.048 6.182 -0.946
102 H GLY 13 H GLY 13 -0.397 7.043 2.544
103 1HA GLY 13 1HA GLY 13 -1.661 7.291 4.500
104 2HA GLY 13 2HA GLY 13 -3.068 7.672 3.521
105 H GLY 14 H GLY 14 -1.109 4.856 2.850
106 1HA GLY 14 1HA GLY 14 -1.686 2.644 2.719
107 2HA GLY 14 2HA GLY 14 -2.139 2.882 4.398
108 HA PRO 15 HA PRO 15 -6.069 1.228 2.948
109 1HB PRO 15 1HB PRO 15 -6.778 2.242 5.656
110 2HB PRO 15 2HB PRO 15 -7.131 0.685 4.919
111 1HG PRO 15 1HG PRO 15 -5.220 0.899 6.743
112 2HG PRO 15 2HG PRO 15 -4.974 -0.117 5.310
113 1HD PRO 15 1HD PRO 15 -3.893 2.607 5.906
114 2HD PRO 15 2HD PRO 15 -3.113 1.243 5.088
115 H SER 16 H SER 16 -5.764 4.331 4.659
116 HA SER 16 HA SER 16 -8.258 5.352 3.855
117 1HB SER 16 1HB SER 16 -5.754 6.836 4.692
118 2HB SER 16 2HB SER 16 -7.360 7.554 4.560
119 HG SER 16 HG SER 16 -8.011 6.467 6.307
120 H SER 17 H SER 17 -5.262 5.068 2.150
121 HA SER 17 HA SER 17 -5.203 7.142 0.374
122 1HB SER 17 1HB SER 17 -3.975 5.737 -1.111
123 2HB SER 17 2HB SER 17 -3.603 5.173 0.516
124 HG SER 17 HG SER 17 -4.249 3.599 -1.266
125 H GLY 18 H GLY 18 -7.303 4.296 0.235
126 1HA GLY 18 1HA GLY 18 -9.576 5.012 -0.728
127 2HA GLY 18 2HA GLY 18 -8.624 5.402 -2.154
128 H ARG 19 H ARG 19 -6.851 3.271 -2.182
129 HA ARG 19 HA ARG 19 -8.645 1.085 -2.943
130 1HB ARG 19 1HB ARG 19 -6.722 0.220 -4.220
131 2HB ARG 19 2HB ARG 19 -7.137 1.862 -4.688
132 1HG ARG 19 1HG ARG 19 -5.178 2.708 -3.969
133 2HG ARG 19 2HG ARG 19 -5.087 1.615 -2.587
134 1HD ARG 19 1HD ARG 19 -3.598 0.399 -3.696
135 2HD ARG 19 2HD ARG 19 -4.844 0.008 -4.881
136 HE ARG 19 HE ARG 19 -2.697 1.928 -5.165
137 1HH1 ARG 19 1HH1 ARG 19 -5.769 0.794 -6.412
138 2HH1 ARG 19 2HH1 ARG 19 -5.528 1.491 -7.976
139 1HH2 ARG 19 1HH2 ARG 19 -2.388 2.841 -7.231
140 2HH2 ARG 19 2HH2 ARG 19 -3.612 2.652 -8.443
141 HA PRO 20 HA PRO 20 -7.330 -1.472 0.411
142 1HB PRO 20 1HB PRO 20 -7.602 -3.942 -0.660
143 2HB PRO 20 2HB PRO 20 -8.989 -2.929 -0.240
144 1HG PRO 20 1HG PRO 20 -7.714 -3.384 -2.911
145 2HG PRO 20 2HG PRO 20 -9.435 -3.322 -2.489
146 1HD PRO 20 1HD PRO 20 -8.114 -1.229 -3.607
147 2HD PRO 20 2HD PRO 20 -9.483 -1.023 -2.497
148 HA PRO 21 HA PRO 21 -3.056 -2.576 0.309
149 1HB PRO 21 1HB PRO 21 -3.808 -5.298 1.253
150 2HB PRO 21 2HB PRO 21 -2.659 -4.146 1.939
151 1HG PRO 21 1HG PRO 21 -5.048 -4.548 3.061
152 2HG PRO 21 2HG PRO 21 -4.308 -2.939 3.018
153 1HD PRO 21 1HD PRO 21 -6.550 -4.038 1.400
154 2HD PRO 21 2HD PRO 21 -6.277 -2.385 1.977
155 HA PRO 22 HA PRO 22 -2.032 -4.515 -3.525
156 1HB PRO 22 1HB PRO 22 0.224 -5.945 -2.614
157 2HB PRO 22 2HB PRO 22 0.210 -4.326 -3.312
158 1HG PRO 22 1HG PRO 22 0.251 -5.157 -0.453
159 2HG PRO 22 2HG PRO 22 1.021 -3.762 -1.232
160 1HD PRO 22 1HD PRO 22 -1.169 -3.452 0.250
161 2HD PRO 22 2HD PRO 22 -0.958 -2.532 -1.254
162 H SER 23 H SER 23 -3.668 -5.948 -3.881
163 HA SER 23 HA SER 23 -3.894 -8.440 -2.485
164 1HB SER 23 1HB SER 23 -5.813 -7.142 -3.538
165 2HB SER 23 2HB SER 23 -5.237 -7.730 -5.097
166 HG SER 23 HG SER 23 -6.034 -9.632 -4.665
Start of MODEL 25
1 H ALA 1 H ALA 1 3.316 -9.015 -4.999
2 HA ALA 1 HA ALA 1 5.663 -8.531 -3.292
3 1HB ALA 1 1HB ALA 1 4.666 -7.132 -5.771
4 2HB ALA 1 2HB ALA 1 6.181 -8.015 -5.580
5 3HB ALA 1 3HB ALA 1 5.926 -6.506 -4.706
6 H LEU 2 H LEU 2 4.133 -8.511 -1.500
7 HA LEU 2 HA LEU 2 2.073 -6.488 -1.475
8 1HB LEU 2 1HB LEU 2 1.729 -8.604 -0.304
9 2HB LEU 2 2HB LEU 2 3.112 -8.278 0.723
10 HG LEU 2 HG LEU 2 1.052 -6.182 0.784
11 1HD1 LEU 2 1HD1 LEU 2 -0.627 -7.722 0.759
12 2HD1 LEU 2 2HD1 LEU 2 -0.216 -7.759 2.472
13 3HD1 LEU 2 3HD1 LEU 2 0.393 -9.014 1.392
14 1HD2 LEU 2 1HD2 LEU 2 2.941 -6.150 2.288
15 2HD2 LEU 2 2HD2 LEU 2 2.532 -7.759 2.886
16 3HD2 LEU 2 3HD2 LEU 2 1.456 -6.397 3.207
17 H GLN 3 H GLN 3 5.081 -7.043 0.370
18 HA GLN 3 HA GLN 3 5.051 -4.618 1.774
19 1HB GLN 3 1HB GLN 3 6.575 -6.806 1.931
20 2HB GLN 3 2HB GLN 3 7.677 -5.787 1.018
21 1HG GLN 3 1HG GLN 3 8.347 -5.204 3.088
22 2HG GLN 3 2HG GLN 3 7.019 -4.056 2.932
23 1HE2 GLN 3 1HE2 GLN 3 4.961 -4.646 3.884
24 2HE2 GLN 3 2HE2 GLN 3 4.933 -5.675 5.275
25 H GLU 4 H GLU 4 6.307 -5.418 -1.421
26 HA GLU 4 HA GLU 4 7.841 -3.125 -1.890
27 1HB GLU 4 1HB GLU 4 6.388 -5.038 -3.694
28 2HB GLU 4 2HB GLU 4 7.198 -3.628 -4.361
29 1HG GLU 4 1HG GLU 4 8.744 -5.366 -4.554
30 2HG GLU 4 2HG GLU 4 9.280 -4.435 -3.157
31 H LEU 5 H LEU 5 4.417 -3.756 -2.674
32 HA LEU 5 HA LEU 5 4.013 -1.037 -3.557
33 1HB LEU 5 1HB LEU 5 2.847 -3.263 -4.335
34 2HB LEU 5 2HB LEU 5 1.755 -2.903 -3.013
35 HG LEU 5 HG LEU 5 1.445 -2.035 -5.570
36 1HD1 LEU 5 1HD1 LEU 5 0.008 -0.180 -4.323
37 2HD1 LEU 5 2HD1 LEU 5 0.390 -1.200 -2.936
38 3HD1 LEU 5 3HD1 LEU 5 -0.445 -1.884 -4.330
39 1HD2 LEU 5 1HD2 LEU 5 2.542 0.331 -4.065
40 2HD2 LEU 5 2HD2 LEU 5 1.901 0.312 -5.708
41 3HD2 LEU 5 3HD2 LEU 5 3.405 -0.530 -5.339
42 H LEU 6 H LEU 6 3.883 -2.675 -0.556
43 HA LEU 6 HA LEU 6 1.830 -1.307 0.775
44 1HB LEU 6 1HB LEU 6 3.686 -3.222 1.410
45 2HB LEU 6 2HB LEU 6 4.150 -1.892 2.437
46 HG LEU 6 HG LEU 6 2.645 -3.456 3.582
47 1HD1 LEU 6 1HD1 LEU 6 2.610 -1.194 4.343
48 2HD1 LEU 6 2HD1 LEU 6 0.948 -1.785 4.316
49 3HD1 LEU 6 3HD1 LEU 6 1.525 -0.714 3.038
50 1HD2 LEU 6 1HD2 LEU 6 0.552 -2.612 1.586
51 2HD2 LEU 6 2HD2 LEU 6 0.366 -3.756 2.914
52 3HD2 LEU 6 3HD2 LEU 6 1.400 -4.157 1.544
53 H GLY 7 H GLY 7 5.343 -0.602 0.726
54 1HA GLY 7 1HA GLY 7 5.236 1.717 2.288
55 2HA GLY 7 2HA GLY 7 6.468 1.366 1.095
56 H GLN 8 H GLN 8 4.629 1.230 -1.137
57 HA GLN 8 HA GLN 8 4.515 4.044 -1.767
58 1HB GLN 8 1HB GLN 8 4.516 1.630 -3.238
59 2HB GLN 8 2HB GLN 8 2.979 2.406 -3.590
60 1HG GLN 8 1HG GLN 8 5.655 3.757 -3.849
61 2HG GLN 8 2HG GLN 8 4.802 2.972 -5.175
62 1HE2 GLN 8 1HE2 GLN 8 4.920 5.715 -3.062
63 2HE2 GLN 8 2HE2 GLN 8 3.721 6.659 -3.881
64 H TRP 9 H TRP 9 2.266 1.473 -1.037
65 HA TRP 9 HA TRP 9 -0.170 2.848 -1.312
66 1HB TRP 9 1HB TRP 9 0.093 0.399 -1.225
67 2HB TRP 9 2HB TRP 9 0.601 0.515 0.450
68 HD1 TRP 9 HD1 TRP 9 -2.486 1.995 -1.365
69 HE1 TRP 9 HE1 TRP 9 -4.575 1.324 -0.003
70 HE3 TRP 9 HE3 TRP 9 -0.206 -0.766 2.243
71 HZ2 TRP 9 HZ2 TRP 9 -5.151 -0.187 2.327
72 HZ3 TRP 9 HZ3 TRP 9 -1.579 -1.784 4.014
73 HH2 TRP 9 HH2 TRP 9 -3.998 -1.487 4.049
74 H LEU 10 H LEU 10 2.032 2.333 1.391
75 HA LEU 10 HA LEU 10 0.447 3.560 3.395
76 1HB LEU 10 1HB LEU 10 2.577 2.028 3.538
77 2HB LEU 10 2HB LEU 10 3.433 3.558 3.527
78 HG LEU 10 HG LEU 10 1.231 3.417 5.472
79 1HD1 LEU 10 1HD1 LEU 10 2.452 2.025 7.053
80 2HD1 LEU 10 2HD1 LEU 10 3.683 1.699 5.832
81 3HD1 LEU 10 3HD1 LEU 10 2.035 1.113 5.603
82 1HD2 LEU 10 1HD2 LEU 10 2.933 4.442 6.910
83 2HD2 LEU 10 2HD2 LEU 10 2.771 5.295 5.375
84 3HD2 LEU 10 3HD2 LEU 10 4.137 4.212 5.641
85 H LYS 11 H LYS 11 2.747 4.812 1.057
86 HA LYS 11 HA LYS 11 3.284 7.320 2.146
87 1HB LYS 11 1HB LYS 11 4.187 6.129 -0.009
88 2HB LYS 11 2HB LYS 11 2.875 6.984 -0.806
89 1HG LYS 11 1HG LYS 11 3.786 9.113 0.056
90 2HG LYS 11 2HG LYS 11 5.140 8.217 0.749
91 1HD LYS 11 1HD LYS 11 5.744 7.424 -1.502
92 2HD LYS 11 2HD LYS 11 4.412 8.365 -2.178
93 1HE LYS 11 1HE LYS 11 6.503 9.689 -0.494
94 2HE LYS 11 2HE LYS 11 6.818 9.346 -2.194
95 1HZ LYS 11 1HZ LYS 11 4.834 10.624 -2.767
96 2HZ LYS 11 2HZ LYS 11 5.950 11.570 -1.918
97 3HZ LYS 11 3HZ LYS 11 4.574 10.980 -1.132
98 H ASP 12 H ASP 12 0.457 6.139 0.431
99 HA ASP 12 HA ASP 12 -0.752 8.809 0.457
100 1HB ASP 12 1HB ASP 12 -0.744 7.304 -1.617
101 2HB ASP 12 2HB ASP 12 -1.927 6.311 -0.774
102 H GLY 13 H GLY 13 -0.371 7.279 2.930
103 1HA GLY 13 1HA GLY 13 -1.583 7.062 4.881
104 2HA GLY 13 2HA GLY 13 -3.014 7.574 4.001
105 H GLY 14 H GLY 14 -1.104 4.853 2.910
106 1HA GLY 14 1HA GLY 14 -1.669 2.665 2.570
107 2HA GLY 14 2HA GLY 14 -2.176 2.727 4.249
108 HA PRO 15 HA PRO 15 -6.073 1.268 2.558
109 1HB PRO 15 1HB PRO 15 -6.864 2.103 5.306
110 2HB PRO 15 2HB PRO 15 -7.218 0.611 4.446
111 1HG PRO 15 1HG PRO 15 -5.367 0.656 6.340
112 2HG PRO 15 2HG PRO 15 -5.092 -0.259 4.845
113 1HD PRO 15 1HD PRO 15 -3.978 2.386 5.676
114 2HD PRO 15 2HD PRO 15 -3.201 1.075 4.774
115 H SER 16 H SER 16 -5.814 4.269 4.464
116 HA SER 16 HA SER 16 -8.278 5.351 3.737
117 1HB SER 16 1HB SER 16 -7.537 7.387 4.662
118 2HB SER 16 2HB SER 16 -6.633 6.158 5.544
119 HG SER 16 HG SER 16 -4.963 7.276 4.929
120 H SER 17 H SER 17 -5.287 5.183 1.953
121 HA SER 17 HA SER 17 -5.439 7.237 0.149
122 1HB SER 17 1HB SER 17 -4.088 5.937 -1.321
123 2HB SER 17 2HB SER 17 -3.665 5.411 0.307
124 HG SER 17 HG SER 17 -4.866 3.568 0.011
125 H GLY 18 H GLY 18 -7.277 4.214 0.097
126 1HA GLY 18 1HA GLY 18 -9.613 4.666 -0.833
127 2HA GLY 18 2HA GLY 18 -8.746 5.179 -2.272
128 H ARG 19 H ARG 19 -6.740 3.242 -2.342
129 HA ARG 19 HA ARG 19 -8.265 0.974 -3.315
130 1HB ARG 19 1HB ARG 19 -6.149 0.222 -4.286
131 2HB ARG 19 2HB ARG 19 -6.474 1.896 -4.710
132 1HG ARG 19 1HG ARG 19 -4.837 2.699 -3.212
133 2HG ARG 19 2HG ARG 19 -4.691 1.131 -2.416
134 1HD ARG 19 1HD ARG 19 -2.831 1.104 -3.754
135 2HD ARG 19 2HD ARG 19 -4.004 0.323 -4.812
136 HE ARG 19 HE ARG 19 -4.155 3.010 -5.390
137 1HH1 ARG 19 1HH1 ARG 19 -1.661 0.556 -5.474
138 2HH1 ARG 19 2HH1 ARG 19 -0.798 1.303 -6.775
139 1HH2 ARG 19 1HH2 ARG 19 -3.016 3.990 -7.105
140 2HH2 ARG 19 2HH2 ARG 19 -1.568 3.252 -7.703
141 HA PRO 20 HA PRO 20 -7.595 -1.615 0.208
142 1HB PRO 20 1HB PRO 20 -7.508 -3.926 -1.604
143 2HB PRO 20 2HB PRO 20 -8.695 -3.522 -0.361
144 1HG PRO 20 1HG PRO 20 -9.271 -3.370 -2.986
145 2HG PRO 20 2HG PRO 20 -9.966 -2.249 -1.802
146 1HD PRO 20 1HD PRO 20 -7.693 -1.826 -3.705
147 2HD PRO 20 2HD PRO 20 -9.012 -0.722 -3.261
148 HA PRO 21 HA PRO 21 -3.333 -2.615 0.799
149 1HB PRO 21 1HB PRO 21 -4.225 -5.334 1.638
150 2HB PRO 21 2HB PRO 21 -3.177 -4.185 2.476
151 1HG PRO 21 1HG PRO 21 -5.708 -4.551 3.240
152 2HG PRO 21 2HG PRO 21 -4.952 -2.949 3.289
153 1HD PRO 21 1HD PRO 21 -6.959 -4.039 1.386
154 2HD PRO 21 2HD PRO 21 -6.729 -2.377 1.957
155 HA PRO 22 HA PRO 22 -2.224 -4.827 -2.907
156 1HB PRO 22 1HB PRO 22 0.461 -4.831 -2.597
157 2HB PRO 22 2HB PRO 22 -0.442 -3.372 -3.016
158 1HG PRO 22 1HG PRO 22 0.602 -4.254 -0.354
159 2HG PRO 22 2HG PRO 22 0.641 -2.642 -1.093
160 1HD PRO 22 1HD PRO 22 -1.192 -3.371 0.781
161 2HD PRO 22 2HD PRO 22 -1.526 -2.176 -0.486
162 H SER 23 H SER 23 -3.312 -6.725 -1.749
163 HA SER 23 HA SER 23 -1.881 -8.621 -0.274
164 1HB SER 23 1HB SER 23 -4.393 -8.525 -0.625
165 2HB SER 23 2HB SER 23 -4.120 -9.277 -2.197
166 HG SER 23 HG SER 23 -4.589 -10.803 -0.532
Start of MODEL 26
1 H ALA 1 H ALA 1 4.345 -8.467 -5.525
2 HA ALA 1 HA ALA 1 5.525 -9.056 -3.559
3 1HB ALA 1 1HB ALA 1 7.765 -8.474 -4.255
4 2HB ALA 1 2HB ALA 1 7.362 -7.613 -2.769
5 3HB ALA 1 3HB ALA 1 7.334 -6.765 -4.315
6 H LEU 2 H LEU 2 4.032 -8.520 -2.117
7 HA LEU 2 HA LEU 2 2.533 -6.107 -2.273
8 1HB LEU 2 1HB LEU 2 1.319 -6.902 -0.387
9 2HB LEU 2 2HB LEU 2 1.640 -8.267 -1.436
10 HG LEU 2 HG LEU 2 3.744 -8.470 0.255
11 1HD1 LEU 2 1HD1 LEU 2 3.354 -6.870 1.839
12 2HD1 LEU 2 2HD1 LEU 2 2.473 -8.222 2.548
13 3HD1 LEU 2 3HD1 LEU 2 1.602 -6.966 1.668
14 1HD2 LEU 2 1HD2 LEU 2 2.239 -10.269 -0.356
15 2HD2 LEU 2 2HD2 LEU 2 0.970 -9.581 0.657
16 3HD2 LEU 2 3HD2 LEU 2 2.442 -10.215 1.395
17 H GLN 3 H GLN 3 5.333 -7.101 -0.417
18 HA GLN 3 HA GLN 3 5.256 -5.202 1.632
19 1HB GLN 3 1HB GLN 3 6.943 -7.225 0.982
20 2HB GLN 3 2HB GLN 3 7.925 -5.839 0.532
21 1HG GLN 3 1HG GLN 3 6.634 -6.171 3.228
22 2HG GLN 3 2HG GLN 3 8.281 -6.675 2.853
23 1HE2 GLN 3 1HE2 GLN 3 6.241 -4.087 3.715
24 2HE2 GLN 3 2HE2 GLN 3 7.432 -2.832 3.693
25 H GLU 4 H GLU 4 6.844 -5.022 -1.558
26 HA GLU 4 HA GLU 4 7.852 -2.409 -1.264
27 1HB GLU 4 1HB GLU 4 7.256 -4.156 -3.632
28 2HB GLU 4 2HB GLU 4 7.749 -2.485 -3.871
29 1HG GLU 4 1HG GLU 4 9.794 -3.414 -3.933
30 2HG GLU 4 2HG GLU 4 9.669 -3.254 -2.183
31 H LEU 5 H LEU 5 4.805 -3.620 -2.628
32 HA LEU 5 HA LEU 5 3.812 -1.133 -3.515
33 1HB LEU 5 1HB LEU 5 2.997 -3.702 -3.772
34 2HB LEU 5 2HB LEU 5 1.855 -3.135 -2.569
35 HG LEU 5 HG LEU 5 2.279 -1.930 -5.306
36 1HD1 LEU 5 1HD1 LEU 5 0.369 -2.989 -6.011
37 2HD1 LEU 5 2HD1 LEU 5 -0.258 -3.188 -4.374
38 3HD1 LEU 5 3HD1 LEU 5 1.057 -4.216 -4.946
39 1HD2 LEU 5 1HD2 LEU 5 1.664 -0.167 -3.847
40 2HD2 LEU 5 2HD2 LEU 5 0.465 -1.168 -3.029
41 3HD2 LEU 5 3HD2 LEU 5 0.194 -0.652 -4.693
42 H LEU 6 H LEU 6 3.668 -2.778 -0.405
43 HA LEU 6 HA LEU 6 1.705 -1.259 0.874
44 1HB LEU 6 1HB LEU 6 3.578 -3.216 1.564
45 2HB LEU 6 2HB LEU 6 3.846 -1.900 2.678
46 HG LEU 6 HG LEU 6 2.296 -3.614 3.556
47 1HD1 LEU 6 1HD1 LEU 6 2.075 -1.499 4.541
48 2HD1 LEU 6 2HD1 LEU 6 0.432 -1.982 4.123
49 3HD1 LEU 6 3HD1 LEU 6 1.292 -0.820 3.113
50 1HD2 LEU 6 1HD2 LEU 6 1.281 -4.202 1.369
51 2HD2 LEU 6 2HD2 LEU 6 0.410 -2.669 1.405
52 3HD2 LEU 6 3HD2 LEU 6 0.095 -3.889 2.637
53 H GLY 7 H GLY 7 5.205 -0.685 0.586
54 1HA GLY 7 1HA GLY 7 5.276 1.604 2.250
55 2HA GLY 7 2HA GLY 7 6.458 1.188 1.028
56 H GLN 8 H GLN 8 4.594 1.133 -1.159
57 HA GLN 8 HA GLN 8 4.575 3.953 -1.791
58 1HB GLN 8 1HB GLN 8 4.604 1.589 -3.277
59 2HB GLN 8 2HB GLN 8 3.011 2.263 -3.585
60 1HG GLN 8 1HG GLN 8 4.450 3.064 -5.278
61 2HG GLN 8 2HG GLN 8 4.132 4.414 -4.192
62 1HE2 GLN 8 1HE2 GLN 8 5.796 5.336 -3.081
63 2HE2 GLN 8 2HE2 GLN 8 7.453 4.877 -3.282
64 H TRP 9 H TRP 9 2.263 1.447 -1.037
65 HA TRP 9 HA TRP 9 -0.135 2.894 -1.326
66 1HB TRP 9 1HB TRP 9 0.058 0.431 -1.247
67 2HB TRP 9 2HB TRP 9 0.537 0.533 0.437
68 HD1 TRP 9 HD1 TRP 9 -2.455 2.157 -1.409
69 HE1 TRP 9 HE1 TRP 9 -4.594 1.556 -0.095
70 HE3 TRP 9 HE3 TRP 9 -0.361 -0.770 2.179
71 HZ2 TRP 9 HZ2 TRP 9 -5.274 0.030 2.198
72 HZ3 TRP 9 HZ3 TRP 9 -1.805 -1.761 3.907
73 HH2 TRP 9 HH2 TRP 9 -4.210 -1.357 3.911
74 H LEU 10 H LEU 10 2.060 2.312 1.366
75 HA LEU 10 HA LEU 10 0.512 3.532 3.393
76 1HB LEU 10 1HB LEU 10 2.457 1.993 3.742
77 2HB LEU 10 2HB LEU 10 3.519 3.312 3.288
78 HG LEU 10 HG LEU 10 1.666 4.038 5.427
79 1HD1 LEU 10 1HD1 LEU 10 2.751 2.726 7.167
80 2HD1 LEU 10 2HD1 LEU 10 3.694 1.868 5.948
81 3HD1 LEU 10 3HD1 LEU 10 1.941 1.678 6.001
82 1HD2 LEU 10 1HD2 LEU 10 3.708 4.908 6.425
83 2HD2 LEU 10 2HD2 LEU 10 3.589 5.389 4.733
84 3HD2 LEU 10 3HD2 LEU 10 4.674 4.081 5.202
85 H LYS 11 H LYS 11 2.791 4.819 1.048
86 HA LYS 11 HA LYS 11 3.320 7.317 2.143
87 1HB LYS 11 1HB LYS 11 4.145 6.139 -0.071
88 2HB LYS 11 2HB LYS 11 2.843 7.068 -0.800
89 1HG LYS 11 1HG LYS 11 3.829 9.131 -0.036
90 2HG LYS 11 2HG LYS 11 5.081 8.243 0.837
91 1HD LYS 11 1HD LYS 11 4.722 7.831 -2.105
92 2HD LYS 11 2HD LYS 11 5.602 9.241 -1.513
93 1HE LYS 11 1HE LYS 11 7.026 7.653 -0.176
94 2HE LYS 11 2HE LYS 11 6.248 6.335 -1.052
95 1HZ LYS 11 1HZ LYS 11 7.039 7.382 -3.133
96 2HZ LYS 11 2HZ LYS 11 8.297 6.874 -2.123
97 3HZ LYS 11 3HZ LYS 11 7.897 8.515 -2.213
98 H ASP 12 H ASP 12 0.469 6.140 0.469
99 HA ASP 12 HA ASP 12 -0.776 8.792 0.585
100 1HB ASP 12 1HB ASP 12 -0.789 7.340 -1.527
101 2HB ASP 12 2HB ASP 12 -1.931 6.303 -0.683
102 H GLY 13 H GLY 13 -0.340 7.486 3.050
103 1HA GLY 13 1HA GLY 13 -1.448 7.030 5.006
104 2HA GLY 13 2HA GLY 13 -2.903 7.621 4.220
105 H GLY 14 H GLY 14 -1.087 4.921 2.923
106 1HA GLY 14 1HA GLY 14 -1.697 2.761 2.500
107 2HA GLY 14 2HA GLY 14 -2.204 2.754 4.180
108 HA PRO 15 HA PRO 15 -6.155 1.512 2.457
109 1HB PRO 15 1HB PRO 15 -6.928 2.316 5.219
110 2HB PRO 15 2HB PRO 15 -7.334 0.857 4.325
111 1HG PRO 15 1HG PRO 15 -5.492 0.786 6.226
112 2HG PRO 15 2HG PRO 15 -5.241 -0.100 4.710
113 1HD PRO 15 1HD PRO 15 -4.043 2.486 5.612
114 2HD PRO 15 2HD PRO 15 -3.301 1.167 4.689
115 H SER 16 H SER 16 -5.744 4.475 4.388
116 HA SER 16 HA SER 16 -8.165 5.679 3.801
117 1HB SER 16 1HB SER 16 -7.235 7.708 4.578
118 2HB SER 16 2HB SER 16 -6.350 6.450 5.441
119 HG SER 16 HG SER 16 -5.469 8.265 3.563
120 H SER 17 H SER 17 -5.290 5.413 1.814
121 HA SER 17 HA SER 17 -5.603 7.408 -0.047
122 1HB SER 17 1HB SER 17 -4.340 6.059 -1.572
123 2HB SER 17 2HB SER 17 -3.755 5.683 0.046
124 HG SER 17 HG SER 17 -4.102 3.794 -1.179
125 H GLY 18 H GLY 18 -7.216 4.238 -0.012
126 1HA GLY 18 1HA GLY 18 -9.666 4.566 -0.742
127 2HA GLY 18 2HA GLY 18 -8.929 5.112 -2.243
128 H ARG 19 H ARG 19 -6.820 3.305 -2.437
129 HA ARG 19 HA ARG 19 -8.218 0.971 -3.385
130 1HB ARG 19 1HB ARG 19 -6.050 0.283 -4.275
131 2HB ARG 19 2HB ARG 19 -6.389 1.957 -4.694
132 1HG ARG 19 1HG ARG 19 -4.969 2.614 -2.714
133 2HG ARG 19 2HG ARG 19 -4.476 0.924 -2.617
134 1HD ARG 19 1HD ARG 19 -4.061 2.821 -4.922
135 2HD ARG 19 2HD ARG 19 -2.824 2.147 -3.864
136 HE ARG 19 HE ARG 19 -4.032 0.890 -6.141
137 1HH1 ARG 19 1HH1 ARG 19 -2.444 0.274 -3.079
138 2HH1 ARG 19 2HH1 ARG 19 -1.879 -1.293 -3.550
139 1HH2 ARG 19 1HH2 ARG 19 -3.288 -1.170 -6.753
140 2HH2 ARG 19 2HH2 ARG 19 -2.357 -2.113 -5.639
141 HA PRO 20 HA PRO 20 -7.605 -1.544 0.215
142 1HB PRO 20 1HB PRO 20 -7.643 -3.895 -1.538
143 2HB PRO 20 2HB PRO 20 -8.807 -3.400 -0.309
144 1HG PRO 20 1HG PRO 20 -9.376 -3.297 -2.940
145 2HG PRO 20 2HG PRO 20 -10.025 -2.117 -1.784
146 1HD PRO 20 1HD PRO 20 -7.723 -1.842 -3.687
147 2HD PRO 20 2HD PRO 20 -9.006 -0.676 -3.293
148 HA PRO 21 HA PRO 21 -3.365 -2.752 0.518
149 1HB PRO 21 1HB PRO 21 -3.520 -5.026 2.044
150 2HB PRO 21 2HB PRO 21 -3.668 -3.391 2.694
151 1HG PRO 21 1HG PRO 21 -5.812 -5.351 1.986
152 2HG PRO 21 2HG PRO 21 -5.697 -4.274 3.391
153 1HD PRO 21 1HD PRO 21 -7.270 -3.702 1.285
154 2HD PRO 21 2HD PRO 21 -6.427 -2.433 2.196
155 HA PRO 22 HA PRO 22 -2.675 -5.881 -2.571
156 1HB PRO 22 1HB PRO 22 -0.004 -5.959 -2.542
157 2HB PRO 22 2HB PRO 22 -0.868 -4.512 -3.073
158 1HG PRO 22 1HG PRO 22 0.445 -5.078 -0.447
159 2HG PRO 22 2HG PRO 22 0.452 -3.587 -1.405
160 1HD PRO 22 1HD PRO 22 -1.199 -4.057 0.762
161 2HD PRO 22 2HD PRO 22 -1.529 -2.879 -0.523
162 H SER 23 H SER 23 -3.521 -7.057 -0.158
163 HA SER 23 HA SER 23 -3.587 -9.082 0.853
164 1HB SER 23 1HB SER 23 -2.927 -10.899 -0.345
165 2HB SER 23 2HB SER 23 -2.674 -9.700 -1.610
166 HG SER 23 HG SER 23 -0.539 -9.818 -1.324
Start of MODEL 27
1 H ALA 1 H ALA 1 6.724 -4.820 -5.650
2 HA ALA 1 HA ALA 1 5.950 -7.654 -5.443
3 1HB ALA 1 1HB ALA 1 7.445 -7.775 -3.580
4 2HB ALA 1 2HB ALA 1 7.789 -6.047 -3.677
5 3HB ALA 1 3HB ALA 1 8.339 -7.130 -4.957
6 H LEU 2 H LEU 2 4.898 -8.163 -3.399
7 HA LEU 2 HA LEU 2 2.736 -6.443 -2.832
8 1HB LEU 2 1HB LEU 2 3.770 -9.001 -1.746
9 2HB LEU 2 2HB LEU 2 2.711 -8.079 -0.696
10 HG LEU 2 HG LEU 2 1.071 -8.034 -2.667
11 1HD1 LEU 2 1HD1 LEU 2 1.316 -9.970 -4.205
12 2HD1 LEU 2 2HD1 LEU 2 2.951 -10.201 -3.586
13 3HD1 LEU 2 3HD1 LEU 2 2.532 -8.715 -4.439
14 1HD2 LEU 2 1HD2 LEU 2 1.701 -10.678 -1.359
15 2HD2 LEU 2 2HD2 LEU 2 0.156 -10.198 -2.062
16 3HD2 LEU 2 3HD2 LEU 2 0.768 -9.372 -0.629
17 H GLN 3 H GLN 3 5.696 -7.182 -0.997
18 HA GLN 3 HA GLN 3 5.136 -5.560 1.232
19 1HB GLN 3 1HB GLN 3 7.155 -7.292 0.526
20 2HB GLN 3 2HB GLN 3 7.974 -5.736 0.510
21 1HG GLN 3 1HG GLN 3 7.426 -5.330 2.783
22 2HG GLN 3 2HG GLN 3 6.326 -6.707 2.828
23 1HE2 GLN 3 1HE2 GLN 3 7.219 -8.830 2.754
24 2HE2 GLN 3 2HE2 GLN 3 8.842 -9.118 3.278
25 H GLU 4 H GLU 4 6.823 -4.872 -1.812
26 HA GLU 4 HA GLU 4 7.617 -2.235 -1.160
27 1HB GLU 4 1HB GLU 4 7.163 -3.583 -3.827
28 2HB GLU 4 2HB GLU 4 7.832 -1.966 -3.657
29 1HG GLU 4 1HG GLU 4 9.698 -2.891 -2.359
30 2HG GLU 4 2HG GLU 4 9.036 -4.508 -2.585
31 H LEU 5 H LEU 5 4.715 -3.571 -2.674
32 HA LEU 5 HA LEU 5 3.542 -1.138 -3.471
33 1HB LEU 5 1HB LEU 5 2.886 -3.528 -4.115
34 2HB LEU 5 2HB LEU 5 1.997 -3.571 -2.607
35 HG LEU 5 HG LEU 5 1.487 -1.392 -4.605
36 1HD1 LEU 5 1HD1 LEU 5 -0.107 -3.922 -4.601
37 2HD1 LEU 5 2HD1 LEU 5 1.344 -3.778 -5.594
38 3HD1 LEU 5 3HD1 LEU 5 -0.002 -2.665 -5.834
39 1HD2 LEU 5 1HD2 LEU 5 -0.764 -2.476 -3.157
40 2HD2 LEU 5 2HD2 LEU 5 -0.154 -0.823 -3.216
41 3HD2 LEU 5 3HD2 LEU 5 0.519 -1.970 -2.059
42 H LEU 6 H LEU 6 3.489 -2.899 -0.413
43 HA LEU 6 HA LEU 6 1.430 -1.493 0.874
44 1HB LEU 6 1HB LEU 6 2.836 -3.585 1.541
45 2HB LEU 6 2HB LEU 6 3.837 -2.425 2.373
46 HG LEU 6 HG LEU 6 2.250 -3.422 3.913
47 1HD1 LEU 6 1HD1 LEU 6 1.473 -1.476 4.941
48 2HD1 LEU 6 2HD1 LEU 6 1.252 -0.641 3.405
49 3HD1 LEU 6 3HD1 LEU 6 2.877 -0.947 4.014
50 1HD2 LEU 6 1HD2 LEU 6 0.126 -2.366 2.054
51 2HD2 LEU 6 2HD2 LEU 6 -0.166 -3.068 3.645
52 3HD2 LEU 6 3HD2 LEU 6 0.511 -4.061 2.355
53 H GLY 7 H GLY 7 4.954 -0.930 0.902
54 1HA GLY 7 1HA GLY 7 4.885 1.364 2.539
55 2HA GLY 7 2HA GLY 7 6.162 0.957 1.412
56 H GLN 8 H GLN 8 4.282 0.872 -0.860
57 HA GLN 8 HA GLN 8 4.387 3.687 -1.542
58 1HB GLN 8 1HB GLN 8 4.197 1.216 -2.969
59 2HB GLN 8 2HB GLN 8 2.811 2.201 -3.416
60 1HG GLN 8 1HG GLN 8 4.628 2.576 -4.951
61 2HG GLN 8 2HG GLN 8 4.321 4.036 -4.014
62 1HE2 GLN 8 1HE2 GLN 8 5.915 4.873 -2.769
63 2HE2 GLN 8 2HE2 GLN 8 7.500 4.192 -2.635
64 H TRP 9 H TRP 9 2.015 1.262 -0.749
65 HA TRP 9 HA TRP 9 -0.352 2.743 -1.110
66 1HB TRP 9 1HB TRP 9 -0.237 0.289 -0.949
67 2HB TRP 9 2HB TRP 9 0.289 0.420 0.720
68 HD1 TRP 9 HD1 TRP 9 -2.723 1.921 -1.190
69 HE1 TRP 9 HE1 TRP 9 -4.839 1.478 0.223
70 HE3 TRP 9 HE3 TRP 9 -0.571 -0.600 2.666
71 HZ2 TRP 9 HZ2 TRP 9 -5.479 0.217 2.677
72 HZ3 TRP 9 HZ3 TRP 9 -1.987 -1.382 4.519
73 HH2 TRP 9 HH2 TRP 9 -4.392 -0.968 4.517
74 H LEU 10 H LEU 10 1.768 2.152 1.653
75 HA LEU 10 HA LEU 10 0.227 3.562 3.573
76 1HB LEU 10 1HB LEU 10 2.496 1.979 3.618
77 2HB LEU 10 2HB LEU 10 3.099 3.560 4.077
78 HG LEU 10 HG LEU 10 1.289 3.619 5.843
79 1HD1 LEU 10 1HD1 LEU 10 0.071 1.731 6.403
80 2HD1 LEU 10 2HD1 LEU 10 1.146 0.649 5.519
81 3HD1 LEU 10 3HD1 LEU 10 0.036 1.701 4.641
82 1HD2 LEU 10 1HD2 LEU 10 3.370 1.443 6.022
83 2HD2 LEU 10 2HD2 LEU 10 2.541 2.194 7.386
84 3HD2 LEU 10 3HD2 LEU 10 3.621 3.154 6.375
85 H LYS 11 H LYS 11 2.664 4.555 1.256
86 HA LYS 11 HA LYS 11 3.337 7.061 2.307
87 1HB LYS 11 1HB LYS 11 4.353 5.770 0.309
88 2HB LYS 11 2HB LYS 11 3.095 6.542 -0.647
89 1HG LYS 11 1HG LYS 11 4.488 8.464 0.997
90 2HG LYS 11 2HG LYS 11 5.603 7.563 -0.031
91 1HD LYS 11 1HD LYS 11 4.210 8.110 -1.986
92 2HD LYS 11 2HD LYS 11 3.140 9.051 -0.944
93 1HE LYS 11 1HE LYS 11 6.079 9.632 -1.070
94 2HE LYS 11 2HE LYS 11 4.975 10.279 -2.283
95 1HZ LYS 11 1HZ LYS 11 4.822 10.734 0.649
96 2HZ LYS 11 2HZ LYS 11 3.695 11.302 -0.476
97 3HZ LYS 11 3HZ LYS 11 5.288 11.865 -0.519
98 H ASP 12 H ASP 12 0.549 5.986 0.473
99 HA ASP 12 HA ASP 12 -0.483 8.722 0.298
100 1HB ASP 12 1HB ASP 12 -0.467 6.960 -1.641
101 2HB ASP 12 2HB ASP 12 -1.888 6.316 -0.827
102 H GLY 13 H GLY 13 -0.333 7.609 2.885
103 1HA GLY 13 1HA GLY 13 -1.629 7.492 4.776
104 2HA GLY 13 2HA GLY 13 -2.993 8.001 3.794
105 H GLY 14 H GLY 14 -1.121 5.110 3.098
106 1HA GLY 14 1HA GLY 14 -1.779 2.930 2.869
107 2HA GLY 14 2HA GLY 14 -2.393 3.151 4.499
108 HA PRO 15 HA PRO 15 -6.250 1.756 2.652
109 1HB PRO 15 1HB PRO 15 -7.165 2.844 5.269
110 2HB PRO 15 2HB PRO 15 -7.551 1.309 4.502
111 1HG PRO 15 1HG PRO 15 -5.829 1.401 6.511
112 2HG PRO 15 2HG PRO 15 -5.502 0.366 5.108
113 1HD PRO 15 1HD PRO 15 -4.314 3.018 5.821
114 2HD PRO 15 2HD PRO 15 -3.541 1.602 5.085
115 H SER 16 H SER 16 -5.848 4.882 4.279
116 HA SER 16 HA SER 16 -8.201 6.086 3.443
117 1HB SER 16 1HB SER 16 -5.524 7.441 3.853
118 2HB SER 16 2HB SER 16 -7.102 8.227 3.883
119 HG SER 16 HG SER 16 -5.843 6.709 5.808
120 H SER 17 H SER 17 -5.286 5.433 1.644
121 HA SER 17 HA SER 17 -5.345 7.272 -0.399
122 1HB SER 17 1HB SER 17 -4.140 5.676 -1.739
123 2HB SER 17 2HB SER 17 -3.630 5.464 -0.066
124 HG SER 17 HG SER 17 -4.723 3.671 -1.718
125 H GLY 18 H GLY 18 -7.263 4.295 -0.112
126 1HA GLY 18 1HA GLY 18 -9.618 4.792 -1.049
127 2HA GLY 18 2HA GLY 18 -8.737 5.030 -2.551
128 H ARG 19 H ARG 19 -6.900 2.995 -2.474
129 HA ARG 19 HA ARG 19 -8.619 0.676 -2.900
130 1HB ARG 19 1HB ARG 19 -6.696 -0.281 -4.081
131 2HB ARG 19 2HB ARG 19 -7.091 1.315 -4.700
132 1HG ARG 19 1HG ARG 19 -5.111 2.174 -4.101
133 2HG ARG 19 2HG ARG 19 -5.093 1.319 -2.558
134 1HD ARG 19 1HD ARG 19 -3.307 0.386 -3.726
135 2HD ARG 19 2HD ARG 19 -4.609 -0.780 -3.954
136 HE ARG 19 HE ARG 19 -4.814 0.854 -6.117
137 1HH1 ARG 19 1HH1 ARG 19 -2.197 -1.027 -4.745
138 2HH1 ARG 19 2HH1 ARG 19 -1.423 -1.286 -6.271
139 1HH2 ARG 19 1HH2 ARG 19 -3.789 0.505 -8.123
140 2HH2 ARG 19 2HH2 ARG 19 -2.324 -0.417 -8.188
141 HA PRO 20 HA PRO 20 -7.197 -1.530 0.660
142 1HB PRO 20 1HB PRO 20 -7.307 -4.092 -0.161
143 2HB PRO 20 2HB PRO 20 -8.766 -3.120 0.064
144 1HG PRO 20 1HG PRO 20 -7.303 -3.788 -2.461
145 2HG PRO 20 2HG PRO 20 -9.049 -3.770 -2.150
146 1HD PRO 20 1HD PRO 20 -7.718 -1.738 -3.398
147 2HD PRO 20 2HD PRO 20 -9.205 -1.503 -2.459
148 HA PRO 21 HA PRO 21 -2.879 -2.469 0.565
149 1HB PRO 21 1HB PRO 21 -2.671 -4.716 2.116
150 2HB PRO 21 2HB PRO 21 -2.903 -3.090 2.762
151 1HG PRO 21 1HG PRO 21 -4.915 -5.253 2.306
152 2HG PRO 21 2HG PRO 21 -4.762 -4.136 3.675
153 1HD PRO 21 1HD PRO 21 -6.583 -3.770 1.721
154 2HD PRO 21 2HD PRO 21 -5.795 -2.409 2.544
155 HA PRO 22 HA PRO 22 -1.953 -5.416 -2.591
156 1HB PRO 22 1HB PRO 22 0.630 -6.053 -1.978
157 2HB PRO 22 2HB PRO 22 0.153 -4.535 -2.745
158 1HG PRO 22 1HG PRO 22 0.765 -5.096 0.128
159 2HG PRO 22 2HG PRO 22 1.227 -3.702 -0.864
160 1HD PRO 22 1HD PRO 22 -0.819 -3.610 0.897
161 2HD PRO 22 2HD PRO 22 -0.830 -2.685 -0.617
162 H SER 23 H SER 23 -1.066 -6.353 0.694
163 HA SER 23 HA SER 23 -1.226 -9.176 0.016
164 1HB SER 23 1HB SER 23 0.550 -8.088 1.569
165 2HB SER 23 2HB SER 23 -0.727 -8.116 2.785
166 HG SER 23 HG SER 23 0.669 -10.223 1.612
Start of MODEL 28
1 H ALA 1 H ALA 1 4.778 -8.699 -5.442
2 HA ALA 1 HA ALA 1 6.350 -7.231 -4.451
3 1HB ALA 1 1HB ALA 1 5.371 -5.392 -6.598
4 2HB ALA 1 2HB ALA 1 7.024 -5.755 -6.102
5 3HB ALA 1 3HB ALA 1 6.000 -4.740 -5.085
6 H LEU 2 H LEU 2 4.825 -8.058 -2.910
7 HA LEU 2 HA LEU 2 2.351 -6.602 -2.489
8 1HB LEU 2 1HB LEU 2 3.589 -8.753 -0.770
9 2HB LEU 2 2HB LEU 2 1.939 -8.170 -0.691
10 HG LEU 2 HG LEU 2 3.073 -9.552 -3.119
11 1HD1 LEU 2 1HD1 LEU 2 1.918 -11.563 -2.336
12 2HD1 LEU 2 2HD1 LEU 2 1.513 -10.741 -0.829
13 3HD1 LEU 2 3HD1 LEU 2 3.200 -11.072 -1.228
14 1HD2 LEU 2 1HD2 LEU 2 0.197 -9.302 -2.296
15 2HD2 LEU 2 2HD2 LEU 2 0.865 -9.699 -3.880
16 3HD2 LEU 2 3HD2 LEU 2 1.001 -8.056 -3.252
17 H GLN 3 H GLN 3 5.306 -7.241 -0.588
18 HA GLN 3 HA GLN 3 4.668 -5.358 1.447
19 1HB GLN 3 1HB GLN 3 6.508 -7.383 1.183
20 2HB GLN 3 2HB GLN 3 7.520 -5.948 1.084
21 1HG GLN 3 1HG GLN 3 6.304 -5.181 3.204
22 2HG GLN 3 2HG GLN 3 5.763 -6.854 3.334
23 1HE2 GLN 3 1HE2 GLN 3 7.278 -8.478 3.750
24 2HE2 GLN 3 2HE2 GLN 3 8.856 -8.120 4.361
25 H GLU 4 H GLU 4 6.597 -5.211 -1.512
26 HA GLU 4 HA GLU 4 7.801 -2.705 -1.079
27 1HB GLU 4 1HB GLU 4 7.060 -4.113 -3.647
28 2HB GLU 4 2HB GLU 4 8.032 -2.649 -3.577
29 1HG GLU 4 1HG GLU 4 9.870 -3.734 -2.848
30 2HG GLU 4 2HG GLU 4 8.944 -4.904 -1.909
31 H LEU 5 H LEU 5 4.740 -3.603 -2.645
32 HA LEU 5 HA LEU 5 4.012 -0.988 -3.437
33 1HB LEU 5 1HB LEU 5 3.014 -3.064 -4.351
34 2HB LEU 5 2HB LEU 5 2.206 -3.325 -2.819
35 HG LEU 5 HG LEU 5 0.739 -1.517 -3.142
36 1HD1 LEU 5 1HD1 LEU 5 2.478 -0.616 -5.435
37 2HD1 LEU 5 2HD1 LEU 5 2.381 0.142 -3.846
38 3HD1 LEU 5 3HD1 LEU 5 0.976 0.145 -4.912
39 1HD2 LEU 5 1HD2 LEU 5 0.548 -3.576 -4.714
40 2HD2 LEU 5 2HD2 LEU 5 0.995 -2.428 -5.976
41 3HD2 LEU 5 3HD2 LEU 5 -0.455 -2.156 -5.011
42 H LEU 6 H LEU 6 3.698 -2.732 -0.429
43 HA LEU 6 HA LEU 6 1.700 -1.279 0.857
44 1HB LEU 6 1HB LEU 6 3.311 -3.309 1.526
45 2HB LEU 6 2HB LEU 6 4.049 -2.045 2.473
46 HG LEU 6 HG LEU 6 2.462 -3.277 3.827
47 1HD1 LEU 6 1HD1 LEU 6 1.101 -1.444 4.634
48 2HD1 LEU 6 2HD1 LEU 6 1.370 -0.554 3.135
49 3HD1 LEU 6 3HD1 LEU 6 2.718 -0.869 4.227
50 1HD2 LEU 6 1HD2 LEU 6 1.028 -4.056 1.975
51 2HD2 LEU 6 2HD2 LEU 6 0.354 -2.431 1.847
52 3HD2 LEU 6 3HD2 LEU 6 0.108 -3.373 3.316
53 H GLY 7 H GLY 7 5.205 -0.637 0.707
54 1HA GLY 7 1HA GLY 7 5.173 1.651 2.364
55 2HA GLY 7 2HA GLY 7 6.401 1.269 1.173
56 H GLN 8 H GLN 8 4.467 1.158 -1.022
57 HA GLN 8 HA GLN 8 4.434 3.992 -1.656
58 1HB GLN 8 1HB GLN 8 4.644 1.738 -3.195
59 2HB GLN 8 2HB GLN 8 2.948 2.141 -3.418
60 1HG GLN 8 1HG GLN 8 5.295 3.947 -3.963
61 2HG GLN 8 2HG GLN 8 4.304 3.122 -5.165
62 1HE2 GLN 8 1HE2 GLN 8 4.601 5.838 -3.094
63 2HE2 GLN 8 2HE2 GLN 8 3.133 6.630 -3.554
64 H TRP 9 H TRP 9 2.206 1.434 -0.872
65 HA TRP 9 HA TRP 9 -0.245 2.783 -1.186
66 1HB TRP 9 1HB TRP 9 0.082 0.318 -0.999
67 2HB TRP 9 2HB TRP 9 0.483 0.534 0.696
68 HD1 TRP 9 HD1 TRP 9 -2.486 1.940 -1.354
69 HE1 TRP 9 HE1 TRP 9 -4.653 1.320 -0.103
70 HE3 TRP 9 HE3 TRP 9 -0.444 -0.716 2.467
71 HZ2 TRP 9 HZ2 TRP 9 -5.378 -0.111 2.237
72 HZ3 TRP 9 HZ3 TRP 9 -1.925 -1.667 4.186
73 HH2 TRP 9 HH2 TRP 9 -4.341 -1.358 4.067
74 H LEU 10 H LEU 10 2.003 2.387 1.488
75 HA LEU 10 HA LEU 10 0.418 3.700 3.456
76 1HB LEU 10 1HB LEU 10 2.313 2.102 3.888
77 2HB LEU 10 2HB LEU 10 3.417 3.385 3.432
78 HG LEU 10 HG LEU 10 2.051 4.689 5.327
79 1HD1 LEU 10 1HD1 LEU 10 0.567 2.802 5.793
80 2HD1 LEU 10 2HD1 LEU 10 1.561 3.208 7.193
81 3HD1 LEU 10 3HD1 LEU 10 1.964 1.806 6.203
82 1HD2 LEU 10 1HD2 LEU 10 4.472 4.393 5.237
83 2HD2 LEU 10 2HD2 LEU 10 4.299 2.747 5.846
84 3HD2 LEU 10 3HD2 LEU 10 3.857 4.116 6.866
85 H LYS 11 H LYS 11 2.868 4.774 1.157
86 HA LYS 11 HA LYS 11 3.423 7.312 2.133
87 1HB LYS 11 1HB LYS 11 4.312 5.973 0.028
88 2HB LYS 11 2HB LYS 11 3.104 6.932 -0.815
89 1HG LYS 11 1HG LYS 11 4.960 8.252 -1.038
90 2HG LYS 11 2HG LYS 11 4.240 8.929 0.423
91 1HD LYS 11 1HD LYS 11 5.765 7.716 1.815
92 2HD LYS 11 2HD LYS 11 6.383 6.808 0.434
93 1HE LYS 11 1HE LYS 11 6.549 9.787 0.414
94 2HE LYS 11 2HE LYS 11 7.697 8.870 1.388
95 1HZ LYS 11 1HZ LYS 11 7.247 8.537 -1.530
96 2HZ LYS 11 2HZ LYS 11 8.345 7.648 -0.598
97 3HZ LYS 11 3HZ LYS 11 8.571 9.310 -0.815
98 H ASP 12 H ASP 12 0.777 6.254 0.017
99 HA ASP 12 HA ASP 12 -0.371 8.853 -0.263
100 1HB ASP 12 1HB ASP 12 -0.656 6.782 -1.790
101 2HB ASP 12 2HB ASP 12 -1.883 6.274 -0.636
102 H GLY 13 H GLY 13 -0.884 6.117 1.896
103 1HA GLY 13 1HA GLY 13 -1.580 7.044 4.195
104 2HA GLY 13 2HA GLY 13 -2.992 7.608 3.314
105 H GLY 14 H GLY 14 -1.228 4.535 3.057
106 1HA GLY 14 1HA GLY 14 -2.010 2.386 2.978
107 2HA GLY 14 2HA GLY 14 -2.656 2.821 4.550
108 HA PRO 15 HA PRO 15 -6.407 1.258 2.522
109 1HB PRO 15 1HB PRO 15 -7.349 2.148 5.205
110 2HB PRO 15 2HB PRO 15 -7.697 0.658 4.338
111 1HG PRO 15 1HG PRO 15 -5.972 0.665 6.351
112 2HG PRO 15 2HG PRO 15 -5.632 -0.280 4.888
113 1HD PRO 15 1HD PRO 15 -4.470 2.334 5.761
114 2HD PRO 15 2HD PRO 15 -3.697 0.987 4.912
115 H SER 16 H SER 16 -6.159 4.246 4.436
116 HA SER 16 HA SER 16 -8.518 5.427 3.481
117 1HB SER 16 1HB SER 16 -7.055 6.092 5.508
118 2HB SER 16 2HB SER 16 -6.126 7.038 4.344
119 HG SER 16 HG SER 16 -8.673 7.453 5.346
120 H SER 17 H SER 17 -5.379 5.121 2.032
121 HA SER 17 HA SER 17 -5.206 7.287 0.337
122 1HB SER 17 1HB SER 17 -3.726 6.000 -1.003
123 2HB SER 17 2HB SER 17 -3.535 5.386 0.638
124 HG SER 17 HG SER 17 -4.765 3.611 0.097
125 H GLY 18 H GLY 18 -7.266 4.454 0.045
126 1HA GLY 18 1HA GLY 18 -9.398 4.877 -1.145
127 2HA GLY 18 2HA GLY 18 -8.432 5.622 -2.409
128 H ARG 19 H ARG 19 -7.296 2.720 -0.840
129 HA ARG 19 HA ARG 19 -8.428 0.910 -2.758
130 1HB ARG 19 1HB ARG 19 -6.229 0.202 -3.703
131 2HB ARG 19 2HB ARG 19 -6.720 1.818 -4.188
132 1HG ARG 19 1HG ARG 19 -5.257 2.592 -2.194
133 2HG ARG 19 2HG ARG 19 -4.541 0.985 -2.324
134 1HD ARG 19 1HD ARG 19 -4.458 1.701 -4.900
135 2HD ARG 19 2HD ARG 19 -4.379 3.298 -4.163
136 HE ARG 19 HE ARG 19 -2.477 1.138 -3.516
137 1HH1 ARG 19 1HH1 ARG 19 -3.121 4.509 -4.268
138 2HH1 ARG 19 2HH1 ARG 19 -1.467 4.981 -4.097
139 1HH2 ARG 19 1HH2 ARG 19 -0.308 1.781 -3.297
140 2HH2 ARG 19 2HH2 ARG 19 0.127 3.440 -3.547
141 HA PRO 20 HA PRO 20 -7.597 -1.886 0.562
142 1HB PRO 20 1HB PRO 20 -7.596 -4.263 -0.737
143 2HB PRO 20 2HB PRO 20 -9.070 -3.329 -0.464
144 1HG PRO 20 1HG PRO 20 -7.375 -3.512 -2.925
145 2HG PRO 20 2HG PRO 20 -9.142 -3.532 -2.779
146 1HD PRO 20 1HD PRO 20 -7.749 -1.316 -3.496
147 2HD PRO 20 2HD PRO 20 -9.278 -1.243 -2.597
148 HA PRO 21 HA PRO 21 -3.276 -2.664 1.051
149 1HB PRO 21 1HB PRO 21 -4.030 -5.408 1.929
150 2HB PRO 21 2HB PRO 21 -3.020 -4.202 2.733
151 1HG PRO 21 1HG PRO 21 -5.533 -4.698 3.533
152 2HG PRO 21 2HG PRO 21 -4.829 -3.075 3.608
153 1HD PRO 21 1HD PRO 21 -6.854 -4.174 1.742
154 2HD PRO 21 2HD PRO 21 -6.618 -2.509 2.302
155 HA PRO 22 HA PRO 22 -2.153 -4.795 -2.684
156 1HB PRO 22 1HB PRO 22 0.546 -4.817 -2.324
157 2HB PRO 22 2HB PRO 22 -0.358 -3.388 -2.837
158 1HG PRO 22 1HG PRO 22 0.666 -4.110 -0.127
159 2HG PRO 22 2HG PRO 22 0.645 -2.532 -0.935
160 1HD PRO 22 1HD PRO 22 -1.160 -3.251 0.966
161 2HD PRO 22 2HD PRO 22 -1.541 -2.125 -0.348
162 H SER 23 H SER 23 -0.738 -5.837 0.383
163 HA SER 23 HA SER 23 -0.134 -8.473 -0.616
164 1HB SER 23 1HB SER 23 1.137 -7.139 1.223
165 2HB SER 23 2HB SER 23 -0.122 -7.743 2.299
166 HG SER 23 HG SER 23 0.601 -9.756 2.048
Start of MODEL 29
1 H ALA 1 H ALA 1 5.022 -7.233 -4.909
2 HA ALA 1 HA ALA 1 4.829 -9.275 -2.798
3 1HB ALA 1 1HB ALA 1 7.078 -8.957 -2.900
4 2HB ALA 1 2HB ALA 1 6.656 -7.584 -1.878
5 3HB ALA 1 3HB ALA 1 6.936 -7.347 -3.603
6 H LEU 2 H LEU 2 3.937 -8.624 -0.888
7 HA LEU 2 HA LEU 2 2.095 -6.462 -0.952
8 1HB LEU 2 1HB LEU 2 3.029 -8.310 1.229
9 2HB LEU 2 2HB LEU 2 1.893 -7.013 1.548
10 HG LEU 2 HG LEU 2 1.357 -9.091 -0.558
11 1HD1 LEU 2 1HD1 LEU 2 0.569 -9.210 2.349
12 2HD1 LEU 2 2HD1 LEU 2 1.751 -10.253 1.557
13 3HD1 LEU 2 3HD1 LEU 2 0.054 -10.324 1.081
14 1HD2 LEU 2 1HD2 LEU 2 0.009 -7.079 -0.669
15 2HD2 LEU 2 2HD2 LEU 2 -0.416 -7.242 1.034
16 3HD2 LEU 2 3HD2 LEU 2 -0.976 -8.440 -0.134
17 H GLN 3 H GLN 3 5.120 -6.972 0.867
18 HA GLN 3 HA GLN 3 5.130 -4.489 2.186
19 1HB GLN 3 1HB GLN 3 6.528 -6.529 2.731
20 2HB GLN 3 2HB GLN 3 7.582 -6.063 1.405
21 1HG GLN 3 1HG GLN 3 7.038 -3.921 3.325
22 2HG GLN 3 2HG GLN 3 7.897 -5.308 3.994
23 1HE2 GLN 3 1HE2 GLN 3 8.137 -2.477 2.145
24 2HE2 GLN 3 2HE2 GLN 3 9.784 -2.654 1.647
25 H GLU 4 H GLU 4 6.497 -5.474 -0.934
26 HA GLU 4 HA GLU 4 7.997 -3.188 -1.492
27 1HB GLU 4 1HB GLU 4 6.890 -5.430 -3.024
28 2HB GLU 4 2HB GLU 4 7.085 -3.959 -3.966
29 1HG GLU 4 1HG GLU 4 9.059 -5.266 -4.202
30 2HG GLU 4 2HG GLU 4 9.448 -3.858 -3.216
31 H LEU 5 H LEU 5 4.629 -3.916 -2.407
32 HA LEU 5 HA LEU 5 4.204 -1.298 -3.506
33 1HB LEU 5 1HB LEU 5 3.050 -3.535 -4.117
34 2HB LEU 5 2HB LEU 5 2.017 -3.198 -2.743
35 HG LEU 5 HG LEU 5 2.340 -1.091 -4.831
36 1HD1 LEU 5 1HD1 LEU 5 0.492 -3.457 -5.097
37 2HD1 LEU 5 2HD1 LEU 5 1.926 -3.165 -6.081
38 3HD1 LEU 5 3HD1 LEU 5 0.559 -2.052 -6.162
39 1HD2 LEU 5 1HD2 LEU 5 -0.319 -1.447 -3.977
40 2HD2 LEU 5 2HD2 LEU 5 0.792 -0.143 -3.554
41 3HD2 LEU 5 3HD2 LEU 5 0.696 -1.583 -2.540
42 H LEU 6 H LEU 6 3.845 -2.756 -0.374
43 HA LEU 6 HA LEU 6 1.887 -1.203 0.818
44 1HB LEU 6 1HB LEU 6 3.835 -3.017 1.636
45 2HB LEU 6 2HB LEU 6 4.100 -1.601 2.618
46 HG LEU 6 HG LEU 6 2.614 -3.304 3.665
47 1HD1 LEU 6 1HD1 LEU 6 0.810 -1.654 4.277
48 2HD1 LEU 6 2HD1 LEU 6 1.543 -0.551 3.113
49 3HD1 LEU 6 3HD1 LEU 6 2.470 -1.104 4.507
50 1HD2 LEU 6 1HD2 LEU 6 0.719 -2.510 1.455
51 2HD2 LEU 6 2HD2 LEU 6 0.303 -3.490 2.860
52 3HD2 LEU 6 3HD2 LEU 6 1.461 -4.094 1.676
53 H GLY 7 H GLY 7 5.347 -0.465 0.417
54 1HA GLY 7 1HA GLY 7 5.356 1.923 1.911
55 2HA GLY 7 2HA GLY 7 6.485 1.519 0.633
56 H GLN 8 H GLN 8 4.415 1.217 -1.385
57 HA GLN 8 HA GLN 8 4.184 4.002 -2.152
58 1HB GLN 8 1HB GLN 8 3.742 1.371 -3.439
59 2HB GLN 8 2HB GLN 8 2.691 2.665 -3.998
60 1HG GLN 8 1HG GLN 8 4.711 2.418 -5.368
61 2HG GLN 8 2HG GLN 8 4.589 4.007 -4.615
62 1HE2 GLN 8 1HE2 GLN 8 6.209 4.703 -3.346
63 2HE2 GLN 8 2HE2 GLN 8 7.591 3.760 -2.908
64 H TRP 9 H TRP 9 2.120 1.385 -1.112
65 HA TRP 9 HA TRP 9 -0.393 2.655 -1.300
66 1HB TRP 9 1HB TRP 9 0.016 0.210 -1.103
67 2HB TRP 9 2HB TRP 9 0.535 0.458 0.554
68 HD1 TRP 9 HD1 TRP 9 -2.622 1.779 -1.257
69 HE1 TRP 9 HE1 TRP 9 -4.669 1.091 0.153
70 HE3 TRP 9 HE3 TRP 9 -0.220 -0.844 2.370
71 HZ2 TRP 9 HZ2 TRP 9 -5.170 -0.376 2.526
72 HZ3 TRP 9 HZ3 TRP 9 -1.536 -1.853 4.188
73 HH2 TRP 9 HH2 TRP 9 -3.963 -1.611 4.258
74 H LEU 10 H LEU 10 2.053 2.413 1.208
75 HA LEU 10 HA LEU 10 0.536 3.675 3.267
76 1HB LEU 10 1HB LEU 10 2.457 2.164 3.678
77 2HB LEU 10 2HB LEU 10 3.530 3.386 3.023
78 HG LEU 10 HG LEU 10 2.735 4.926 4.861
79 1HD1 LEU 10 1HD1 LEU 10 0.670 3.822 5.444
80 2HD1 LEU 10 2HD1 LEU 10 1.746 3.837 6.841
81 3HD1 LEU 10 3HD1 LEU 10 1.544 2.359 5.898
82 1HD2 LEU 10 1HD2 LEU 10 4.200 3.960 6.523
83 2HD2 LEU 10 2HD2 LEU 10 4.888 3.728 4.915
84 3HD2 LEU 10 3HD2 LEU 10 4.097 2.383 5.739
85 H LYS 11 H LYS 11 2.813 4.829 0.827
86 HA LYS 11 HA LYS 11 3.324 7.388 1.762
87 1HB LYS 11 1HB LYS 11 3.317 6.079 -0.893
88 2HB LYS 11 2HB LYS 11 3.207 7.833 -0.910
89 1HG LYS 11 1HG LYS 11 5.275 8.075 0.192
90 2HG LYS 11 2HG LYS 11 5.326 6.367 0.631
91 1HD LYS 11 1HD LYS 11 5.978 5.706 -1.461
92 2HD LYS 11 2HD LYS 11 5.178 7.062 -2.257
93 1HE LYS 11 1HE LYS 11 7.383 7.652 -2.508
94 2HE LYS 11 2HE LYS 11 6.988 8.476 -1.000
95 1HZ LYS 11 1HZ LYS 11 7.955 6.622 0.219
96 2HZ LYS 11 2HZ LYS 11 9.088 7.306 -0.834
97 3HZ LYS 11 3HZ LYS 11 8.342 5.841 -1.232
98 H ASP 12 H ASP 12 0.567 6.191 -0.109
99 HA ASP 12 HA ASP 12 -0.697 8.752 -0.324
100 1HB ASP 12 1HB ASP 12 -0.999 6.685 -1.846
101 2HB ASP 12 2HB ASP 12 -2.115 6.109 -0.617
102 H GLY 13 H GLY 13 -0.996 5.959 1.816
103 1HA GLY 13 1HA GLY 13 -1.552 6.870 4.174
104 2HA GLY 13 2HA GLY 13 -3.044 7.366 3.391
105 H GLY 14 H GLY 14 -1.172 4.369 3.011
106 1HA GLY 14 1HA GLY 14 -1.886 2.189 2.976
107 2HA GLY 14 2HA GLY 14 -2.387 2.597 4.607
108 HA PRO 15 HA PRO 15 -6.261 0.895 2.970
109 1HB PRO 15 1HB PRO 15 -6.978 1.764 5.726
110 2HB PRO 15 2HB PRO 15 -7.343 0.255 4.901
111 1HG PRO 15 1HG PRO 15 -5.436 0.351 6.741
112 2HG PRO 15 2HG PRO 15 -5.200 -0.592 5.257
113 1HD PRO 15 1HD PRO 15 -4.069 2.073 6.002
114 2HD PRO 15 2HD PRO 15 -3.325 0.749 5.092
115 H SER 16 H SER 16 -6.007 3.898 4.880
116 HA SER 16 HA SER 16 -8.487 4.931 3.970
117 1HB SER 16 1HB SER 16 -7.978 6.887 5.202
118 2HB SER 16 2HB SER 16 -7.242 5.566 6.107
119 HG SER 16 HG SER 16 -5.254 6.170 5.376
120 H SER 17 H SER 17 -5.440 4.750 2.443
121 HA SER 17 HA SER 17 -5.186 7.079 0.995
122 1HB SER 17 1HB SER 17 -3.873 5.852 -0.572
123 2HB SER 17 2HB SER 17 -3.620 5.085 0.993
124 HG SER 17 HG SER 17 -4.089 3.696 -0.921
125 H GLY 18 H GLY 18 -7.286 4.313 0.318
126 1HA GLY 18 1HA GLY 18 -9.478 5.209 -0.707
127 2HA GLY 18 2HA GLY 18 -8.411 5.730 -2.004
128 H ARG 19 H ARG 19 -6.669 3.468 -1.926
129 HA ARG 19 HA ARG 19 -8.434 1.451 -3.133
130 1HB ARG 19 1HB ARG 19 -6.397 0.680 -4.321
131 2HB ARG 19 2HB ARG 19 -6.799 2.354 -4.678
132 1HG ARG 19 1HG ARG 19 -4.853 3.093 -3.894
133 2HG ARG 19 2HG ARG 19 -4.977 2.119 -2.430
134 1HD ARG 19 1HD ARG 19 -3.313 0.886 -3.251
135 2HD ARG 19 2HD ARG 19 -4.478 0.260 -4.416
136 HE ARG 19 HE ARG 19 -3.468 1.500 -6.059
137 1HH1 ARG 19 1HH1 ARG 19 -2.306 2.616 -2.947
138 2HH1 ARG 19 2HH1 ARG 19 -1.057 3.600 -3.630
139 1HH2 ARG 19 1HH2 ARG 19 -1.822 2.800 -6.949
140 2HH2 ARG 19 2HH2 ARG 19 -0.783 3.707 -5.900
141 HA PRO 20 HA PRO 20 -7.493 -1.481 0.043
142 1HB PRO 20 1HB PRO 20 -7.378 -3.600 -2.000
143 2HB PRO 20 2HB PRO 20 -8.516 -3.390 -0.666
144 1HG PRO 20 1HG PRO 20 -9.249 -3.001 -3.220
145 2HG PRO 20 2HG PRO 20 -9.913 -2.025 -1.897
146 1HD PRO 20 1HD PRO 20 -7.761 -1.337 -3.867
147 2HD PRO 20 2HD PRO 20 -9.096 -0.332 -3.258
148 HA PRO 21 HA PRO 21 -3.182 -2.413 0.244
149 1HB PRO 21 1HB PRO 21 -3.164 -5.035 1.126
150 2HB PRO 21 2HB PRO 21 -3.363 -3.620 2.163
151 1HG PRO 21 1HG PRO 21 -5.434 -5.462 1.047
152 2HG PRO 21 2HG PRO 21 -5.345 -4.713 2.652
153 1HD PRO 21 1HD PRO 21 -6.990 -3.777 0.749
154 2HD PRO 21 2HD PRO 21 -6.176 -2.688 1.891
155 HA PRO 22 HA PRO 22 -1.814 -4.378 -3.459
156 1HB PRO 22 1HB PRO 22 0.614 -5.376 -2.705
157 2HB PRO 22 2HB PRO 22 0.311 -3.661 -3.002
158 1HG PRO 22 1HG PRO 22 0.345 -5.150 -0.398
159 2HG PRO 22 2HG PRO 22 1.112 -3.602 -0.808
160 1HD PRO 22 1HD PRO 22 -1.198 -3.660 0.521
161 2HD PRO 22 2HD PRO 22 -0.898 -2.450 -0.740
162 H SER 23 H SER 23 -0.289 -6.538 -3.892
163 HA SER 23 HA SER 23 -1.905 -8.766 -2.867
164 1HB SER 23 1HB SER 23 -0.586 -8.374 -5.554
165 2HB SER 23 2HB SER 23 -1.226 -9.927 -5.019
166 HG SER 23 HG SER 23 -3.132 -9.243 -5.542
Start of MODEL 30
1 H ALA 1 H ALA 1 5.850 -6.637 -5.898
2 HA ALA 1 HA ALA 1 4.800 -8.148 -4.400
3 1HB ALA 1 1HB ALA 1 6.673 -8.476 -3.148
4 2HB ALA 1 2HB ALA 1 6.809 -6.775 -2.701
5 3HB ALA 1 3HB ALA 1 7.311 -7.308 -4.304
6 H LEU 2 H LEU 2 4.562 -8.413 -1.885
7 HA LEU 2 HA LEU 2 2.297 -6.920 -1.111
8 1HB LEU 2 1HB LEU 2 2.759 -9.224 -0.356
9 2HB LEU 2 2HB LEU 2 4.107 -8.638 0.596
10 HG LEU 2 HG LEU 2 1.924 -9.146 1.822
11 1HD1 LEU 2 1HD1 LEU 2 2.468 -7.667 3.477
12 2HD1 LEU 2 2HD1 LEU 2 2.745 -6.336 2.354
13 3HD1 LEU 2 3HD1 LEU 2 3.944 -7.619 2.513
14 1HD2 LEU 2 1HD2 LEU 2 1.141 -6.499 0.610
15 2HD2 LEU 2 2HD2 LEU 2 0.247 -7.390 1.841
16 3HD2 LEU 2 3HD2 LEU 2 0.421 -8.061 0.220
17 H GLN 3 H GLN 3 5.593 -6.944 0.283
18 HA GLN 3 HA GLN 3 5.062 -4.634 1.897
19 1HB GLN 3 1HB GLN 3 7.144 -6.613 1.672
20 2HB GLN 3 2HB GLN 3 7.848 -5.003 1.724
21 1HG GLN 3 1HG GLN 3 5.902 -6.116 3.734
22 2HG GLN 3 2HG GLN 3 7.649 -6.021 3.944
23 1HE2 GLN 3 1HE2 GLN 3 4.661 -4.310 4.013
24 2HE2 GLN 3 2HE2 GLN 3 5.290 -2.800 4.575
25 H GLU 4 H GLU 4 6.740 -5.237 -1.160
26 HA GLU 4 HA GLU 4 7.993 -2.763 -1.473
27 1HB GLU 4 1HB GLU 4 7.095 -4.915 -3.319
28 2HB GLU 4 2HB GLU 4 7.477 -3.355 -4.032
29 1HG GLU 4 1HG GLU 4 9.420 -4.734 -4.129
30 2HG GLU 4 2HG GLU 4 9.702 -3.457 -2.947
31 H LEU 5 H LEU 5 4.754 -3.798 -2.535
32 HA LEU 5 HA LEU 5 4.064 -1.223 -3.574
33 1HB LEU 5 1HB LEU 5 3.101 -3.572 -4.159
34 2HB LEU 5 2HB LEU 5 2.042 -3.290 -2.791
35 HG LEU 5 HG LEU 5 2.246 -1.288 -5.021
36 1HD1 LEU 5 1HD1 LEU 5 1.736 -3.435 -6.060
37 2HD1 LEU 5 2HD1 LEU 5 0.338 -2.359 -6.095
38 3HD1 LEU 5 3HD1 LEU 5 0.409 -3.676 -4.923
39 1HD2 LEU 5 1HD2 LEU 5 0.781 -0.201 -3.759
40 2HD2 LEU 5 2HD2 LEU 5 0.775 -1.517 -2.583
41 3HD2 LEU 5 3HD2 LEU 5 -0.348 -1.544 -3.942
42 H LEU 6 H LEU 6 3.741 -2.823 -0.476
43 HA LEU 6 HA LEU 6 1.745 -1.312 0.731
44 1HB LEU 6 1HB LEU 6 3.448 -3.267 1.515
45 2HB LEU 6 2HB LEU 6 4.046 -1.920 2.446
46 HG LEU 6 HG LEU 6 2.460 -3.222 3.749
47 1HD1 LEU 6 1HD1 LEU 6 1.305 -0.564 2.921
48 2HD1 LEU 6 2HD1 LEU 6 2.566 -0.813 4.128
49 3HD1 LEU 6 3HD1 LEU 6 0.942 -1.438 4.409
50 1HD2 LEU 6 1HD2 LEU 6 1.169 -4.121 1.848
51 2HD2 LEU 6 2HD2 LEU 6 0.426 -2.536 1.634
52 3HD2 LEU 6 3HD2 LEU 6 0.144 -3.449 3.116
53 H GLY 7 H GLY 7 5.243 -0.645 0.541
54 1HA GLY 7 1HA GLY 7 5.215 1.707 2.090
55 2HA GLY 7 2HA GLY 7 6.412 1.305 0.875
56 H GLN 8 H GLN 8 4.407 1.090 -1.252
57 HA GLN 8 HA GLN 8 4.331 3.887 -2.003
58 1HB GLN 8 1HB GLN 8 4.725 1.962 -3.614
59 2HB GLN 8 2HB GLN 8 3.023 1.560 -3.431
60 1HG GLN 8 1HG GLN 8 3.078 2.809 -5.377
61 2HG GLN 8 2HG GLN 8 2.581 3.980 -4.158
62 1HE2 GLN 8 1HE2 GLN 8 4.011 5.602 -3.532
63 2HE2 GLN 8 2HE2 GLN 8 5.426 5.985 -4.451
64 H TRP 9 H TRP 9 2.101 1.365 -1.074
65 HA TRP 9 HA TRP 9 -0.334 2.775 -1.311
66 1HB TRP 9 1HB TRP 9 -0.066 0.307 -1.183
67 2HB TRP 9 2HB TRP 9 0.415 0.471 0.498
68 HD1 TRP 9 HD1 TRP 9 -2.609 2.001 -1.378
69 HE1 TRP 9 HE1 TRP 9 -4.734 1.390 -0.048
70 HE3 TRP 9 HE3 TRP 9 -0.462 -0.822 2.264
71 HZ2 TRP 9 HZ2 TRP 9 -5.386 -0.100 2.274
72 HZ3 TRP 9 HZ3 TRP 9 -1.886 -1.797 4.016
73 HH2 TRP 9 HH2 TRP 9 -4.300 -1.433 4.015
74 H LEU 10 H LEU 10 1.992 2.306 1.281
75 HA LEU 10 HA LEU 10 0.483 3.580 3.329
76 1HB LEU 10 1HB LEU 10 2.361 1.974 3.698
77 2HB LEU 10 2HB LEU 10 3.475 3.224 3.175
78 HG LEU 10 HG LEU 10 2.650 4.644 5.077
79 1HD1 LEU 10 1HD1 LEU 10 0.517 3.636 5.498
80 2HD1 LEU 10 2HD1 LEU 10 1.525 3.425 6.930
81 3HD1 LEU 10 3HD1 LEU 10 1.268 2.073 5.826
82 1HD2 LEU 10 1HD2 LEU 10 3.959 3.476 6.761
83 2HD2 LEU 10 2HD2 LEU 10 4.748 3.381 5.186
84 3HD2 LEU 10 3HD2 LEU 10 3.871 1.987 5.819
85 H LYS 11 H LYS 11 2.781 4.724 0.923
86 HA LYS 11 HA LYS 11 3.383 7.240 1.961
87 1HB LYS 11 1HB LYS 11 4.364 6.098 -0.103
88 2HB LYS 11 2HB LYS 11 2.959 6.690 -0.976
89 1HG LYS 11 1HG LYS 11 3.962 8.920 0.355
90 2HG LYS 11 2HG LYS 11 5.383 8.063 -0.243
91 1HD LYS 11 1HD LYS 11 3.085 8.404 -2.098
92 2HD LYS 11 2HD LYS 11 4.065 9.825 -1.731
93 1HE LYS 11 1HE LYS 11 5.440 7.287 -2.469
94 2HE LYS 11 2HE LYS 11 4.662 8.227 -3.741
95 1HZ LYS 11 1HZ LYS 11 5.988 10.138 -3.096
96 2HZ LYS 11 2HZ LYS 11 6.989 8.829 -3.477
97 3HZ LYS 11 3HZ LYS 11 6.724 9.246 -1.860
98 H ASP 12 H ASP 12 0.638 6.168 -0.004
99 HA ASP 12 HA ASP 12 -0.562 8.760 -0.185
100 1HB ASP 12 1HB ASP 12 -0.891 6.652 -1.706
101 2HB ASP 12 2HB ASP 12 -2.099 6.200 -0.522
102 H GLY 13 H GLY 13 -0.797 6.026 2.005
103 1HA GLY 13 1HA GLY 13 -1.410 6.823 4.336
104 2HA GLY 13 2HA GLY 13 -2.861 7.448 3.568
105 H GLY 14 H GLY 14 -1.201 4.356 3.026
106 1HA GLY 14 1HA GLY 14 -2.026 2.228 2.924
107 2HA GLY 14 2HA GLY 14 -2.558 2.605 4.553
108 HA PRO 15 HA PRO 15 -6.465 1.182 2.742
109 1HB PRO 15 1HB PRO 15 -7.215 2.018 5.500
110 2HB PRO 15 2HB PRO 15 -7.643 0.555 4.622
111 1HG PRO 15 1HG PRO 15 -5.791 0.489 6.520
112 2HG PRO 15 2HG PRO 15 -5.563 -0.426 5.016
113 1HD PRO 15 1HD PRO 15 -4.302 2.146 5.873
114 2HD PRO 15 2HD PRO 15 -3.610 0.808 4.944
115 H SER 16 H SER 16 -5.996 4.131 4.660
116 HA SER 16 HA SER 16 -8.416 5.361 3.927
117 1HB SER 16 1HB SER 16 -5.828 6.609 4.879
118 2HB SER 16 2HB SER 16 -7.375 7.448 4.780
119 HG SER 16 HG SER 16 -6.494 5.541 6.592
120 H SER 17 H SER 17 -5.375 5.095 2.249
121 HA SER 17 HA SER 17 -5.332 7.309 0.613
122 1HB SER 17 1HB SER 17 -4.687 4.535 -0.395
123 2HB SER 17 2HB SER 17 -3.987 6.064 -0.909
124 HG SER 17 HG SER 17 -2.897 4.556 0.762
125 H GLY 18 H GLY 18 -7.249 4.354 0.204
126 1HA GLY 18 1HA GLY 18 -9.528 5.112 -0.804
127 2HA GLY 18 2HA GLY 18 -8.514 5.501 -2.186
128 H ARG 19 H ARG 19 -6.783 3.412 -2.298
129 HA ARG 19 HA ARG 19 -8.545 1.243 -3.131
130 1HB ARG 19 1HB ARG 19 -6.571 0.364 -4.296
131 2HB ARG 19 2HB ARG 19 -6.880 2.038 -4.733
132 1HG ARG 19 1HG ARG 19 -4.917 2.737 -3.923
133 2HG ARG 19 2HG ARG 19 -5.041 1.728 -2.481
134 1HD ARG 19 1HD ARG 19 -3.280 0.698 -3.490
135 2HD ARG 19 2HD ARG 19 -4.598 -0.200 -4.244
136 HE ARG 19 HE ARG 19 -4.151 1.927 -5.911
137 1HH1 ARG 19 1HH1 ARG 19 -2.191 -0.690 -4.657
138 2HH1 ARG 19 2HH1 ARG 19 -1.152 -0.737 -6.042
139 1HH2 ARG 19 1HH2 ARG 19 -2.782 1.857 -7.732
140 2HH2 ARG 19 2HH2 ARG 19 -1.488 0.707 -7.788
141 HA PRO 20 HA PRO 20 -7.570 -1.472 0.216
142 1HB PRO 20 1HB PRO 20 -7.411 -3.744 -1.635
143 2HB PRO 20 2HB PRO 20 -8.602 -3.410 -0.377
144 1HG PRO 20 1HG PRO 20 -9.204 -3.251 -2.998
145 2HG PRO 20 2HG PRO 20 -9.949 -2.188 -1.789
146 1HD PRO 20 1HD PRO 20 -7.709 -1.616 -3.697
147 2HD PRO 20 2HD PRO 20 -9.085 -0.591 -3.235
148 HA PRO 21 HA PRO 21 -3.267 -2.442 0.506
149 1HB PRO 21 1HB PRO 21 -3.234 -4.994 1.533
150 2HB PRO 21 2HB PRO 21 -3.530 -3.541 2.493
151 1HG PRO 21 1HG PRO 21 -5.491 -5.487 1.344
152 2HG PRO 21 2HG PRO 21 -5.487 -4.708 2.937
153 1HD PRO 21 1HD PRO 21 -7.079 -3.849 0.954
154 2HD PRO 21 2HD PRO 21 -6.337 -2.718 2.105
155 HA PRO 22 HA PRO 22 -2.041 -4.676 -3.116
156 1HB PRO 22 1HB PRO 22 0.576 -5.124 -2.585
157 2HB PRO 22 2HB PRO 22 -0.059 -3.520 -2.965
158 1HG PRO 22 1HG PRO 22 0.590 -4.717 -0.301
159 2HG PRO 22 2HG PRO 22 0.935 -3.087 -0.909
160 1HD PRO 22 1HD PRO 22 -1.149 -3.637 0.746
161 2HD PRO 22 2HD PRO 22 -1.189 -2.333 -0.457
162 H SER 23 H SER 23 -3.508 -6.457 -2.174
163 HA SER 23 HA SER 23 -2.261 -8.701 -0.916
164 1HB SER 23 1HB SER 23 -4.937 -8.466 -2.317
165 2HB SER 23 2HB SER 23 -4.419 -9.847 -1.352
166 HG SER 23 HG SER 23 -5.146 -7.272 -0.541