NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
544093 |
2ll5   |
18023 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY -1 H1 GLY -1 25.034 -9.407 -0.908
2 HA2 GLY -1 HA2 GLY -1 24.091 -9.860 1.392
3 HA3 GLY -1 HA3 GLY -1 25.585 -9.141 1.978
4 H ASP 1 H ASP 1 23.293 -8.057 2.861
5 HA ASP 1 HA ASP 1 22.325 -5.922 1.225
6 HB2 ASP 1 HB2 ASP 1 22.019 -6.491 4.177
7 HB3 ASP 1 HB3 ASP 1 21.211 -5.167 3.345
8 H ALA 2 H ALA 2 25.244 -6.255 2.826
9 HA ALA 2 HA ALA 2 25.646 -3.777 4.053
10 HB1 ALA 2 HB1 ALA 2 27.186 -5.618 4.376
11 HB2 ALA 2 HB2 ALA 2 28.050 -4.210 3.760
12 HB3 ALA 2 HB3 ALA 2 27.664 -5.549 2.679
13 H TYR 3 H TYR 3 25.793 -4.690 0.656
14 HA TYR 3 HA TYR 3 27.179 -2.462 -0.332
15 HB2 TYR 3 HB2 TYR 3 26.624 -4.570 -1.603
16 HB3 TYR 3 HB3 TYR 3 24.989 -3.944 -1.791
17 HD1 TYR 3 HD1 TYR 3 28.544 -2.990 -2.431
18 HD2 TYR 3 HD2 TYR 3 24.481 -2.658 -3.652
19 HE1 TYR 3 HE1 TYR 3 29.253 -1.753 -4.433
20 HE2 TYR 3 HE2 TYR 3 25.180 -1.422 -5.659
21 HH TYR 3 HH TYR 3 27.656 0.121 -6.101
22 H ALA 4 H ALA 4 23.746 -2.927 0.383
23 HA ALA 4 HA ALA 4 22.743 -0.596 -0.800
24 HB1 ALA 4 HB1 ALA 4 21.688 -1.809 1.747
25 HB2 ALA 4 HB2 ALA 4 21.406 -2.511 0.154
26 HB3 ALA 4 HB3 ALA 4 20.797 -0.899 0.526
27 H GLN 5 H GLN 5 24.169 -1.155 2.389
28 HA GLN 5 HA GLN 5 23.732 1.525 3.316
29 HB2 GLN 5 HB2 GLN 5 25.447 -0.734 4.357
30 HB3 GLN 5 HB3 GLN 5 25.306 0.824 5.161
31 HG2 GLN 5 HG2 GLN 5 22.974 0.484 5.555
32 HG3 GLN 5 HG3 GLN 5 22.970 -0.977 4.570
33 HE21 GLN 5 HE21 GLN 5 22.821 0.035 7.628
34 HE22 GLN 5 HE22 GLN 5 23.562 -1.296 8.441
35 H TRP 6 H TRP 6 26.351 -0.231 1.765
36 HA TRP 6 HA TRP 6 28.440 1.589 2.148
37 HB2 TRP 6 HB2 TRP 6 28.714 -0.707 1.247
38 HB3 TRP 6 HB3 TRP 6 27.955 -0.189 -0.254
39 HD1 TRP 6 HD1 TRP 6 31.113 0.651 1.846
40 HE1 TRP 6 HE1 TRP 6 32.971 1.367 0.219
41 HE3 TRP 6 HE3 TRP 6 28.475 0.484 -2.524
42 HZ2 TRP 6 HZ2 TRP 6 33.277 1.798 -2.560
43 HZ3 TRP 6 HZ3 TRP 6 29.625 1.059 -4.622
44 HH2 TRP 6 HH2 TRP 6 31.982 1.702 -4.627
45 H LEU 7 H LEU 7 26.004 1.394 -0.437
46 HA LEU 7 HA LEU 7 26.971 3.621 -1.913
47 HB2 LEU 7 HB2 LEU 7 24.281 2.258 -1.831
48 HB3 LEU 7 HB3 LEU 7 24.638 3.588 -2.914
49 HG LEU 7 HG LEU 7 26.109 0.950 -2.903
50 HD11 LEU 7 HD11 LEU 7 23.978 0.399 -3.652
51 HD12 LEU 7 HD12 LEU 7 24.873 0.721 -5.138
52 HD13 LEU 7 HD13 LEU 7 23.770 1.936 -4.492
53 HD21 LEU 7 HD21 LEU 7 26.666 1.900 -5.281
54 HD22 LEU 7 HD22 LEU 7 27.608 2.399 -3.877
55 HD23 LEU 7 HD23 LEU 7 26.346 3.454 -4.513
56 H ALA 8 H ALA 8 24.610 3.237 0.682
57 HA ALA 8 HA ALA 8 23.499 5.818 0.622
58 HB1 ALA 8 HB1 ALA 8 23.442 3.529 2.391
59 HB2 ALA 8 HB2 ALA 8 22.195 4.725 2.040
60 HB3 ALA 8 HB3 ALA 8 23.409 5.055 3.274
61 H ASP 9 H ASP 9 26.537 4.645 1.866
62 HA ASP 9 HA ASP 9 27.033 7.035 3.438
63 HB2 ASP 9 HB2 ASP 9 27.839 4.502 3.801
64 HB3 ASP 9 HB3 ASP 9 29.215 5.095 2.878
65 H GLY 10 H GLY 10 26.790 6.951 0.346
66 HA2 GLY 10 HA2 GLY 10 27.618 8.521 -1.168
67 HA3 GLY 10 HA3 GLY 10 28.997 8.785 -0.114
68 H GLY 11 H GLY 11 28.235 5.487 -0.847
69 HA2 GLY 11 HA2 GLY 11 29.388 3.889 -2.024
70 HA3 GLY 11 HA3 GLY 11 29.510 5.109 -3.283
71 HA PRO 12 HA PRO 12 33.938 4.222 -2.606
72 HB2 PRO 12 HB2 PRO 12 34.038 6.570 -4.456
73 HB3 PRO 12 HB3 PRO 12 34.937 5.051 -4.531
74 HG2 PRO 12 HG2 PRO 12 32.869 5.499 -6.146
75 HG3 PRO 12 HG3 PRO 12 33.160 3.895 -5.453
76 HD2 PRO 12 HD2 PRO 12 31.094 5.917 -4.750
77 HD3 PRO 12 HD3 PRO 12 31.021 4.144 -4.680
78 H SER 13 H SER 13 32.375 7.405 -2.498
79 HA SER 13 HA SER 13 34.406 8.915 -1.353
80 HB2 SER 13 HB2 SER 13 31.432 9.183 -0.858
81 HB3 SER 13 HB3 SER 13 32.644 10.434 -0.584
82 HG SER 13 HG SER 13 31.748 10.810 -2.576
83 H SER 14 H SER 14 32.162 6.674 0.187
84 HA SER 14 HA SER 14 32.388 7.370 2.839
85 HB2 SER 14 HB2 SER 14 31.828 5.052 3.347
86 HB3 SER 14 HB3 SER 14 30.891 5.606 1.966
87 HG SER 14 HG SER 14 31.912 4.235 0.713
88 H GLY 15 H GLY 15 34.669 5.513 0.865
89 HA2 GLY 15 HA2 GLY 15 37.008 5.509 1.261
90 HA3 GLY 15 HA3 GLY 15 36.697 5.921 2.940
91 H ARG 16 H ARG 16 34.918 3.346 1.367
92 HA ARG 16 HA ARG 16 36.615 1.333 2.657
93 HB2 ARG 16 HB2 ARG 16 34.163 0.243 3.090
94 HB3 ARG 16 HB3 ARG 16 35.068 1.149 4.293
95 HG2 ARG 16 HG2 ARG 16 33.655 3.074 2.849
96 HG3 ARG 16 HG3 ARG 16 32.527 1.737 3.072
97 HD2 ARG 16 HD2 ARG 16 33.903 2.117 5.517
98 HD3 ARG 16 HD3 ARG 16 33.381 3.703 4.954
99 HE ARG 16 HE ARG 16 31.163 2.179 4.657
100 HH11 ARG 16 HH11 ARG 16 33.320 2.761 7.352
101 HH12 ARG 16 HH12 ARG 16 32.090 2.526 8.547
102 HH21 ARG 16 HH21 ARG 16 29.545 1.871 6.237
103 HH22 ARG 16 HH22 ARG 16 29.948 2.020 7.915
104 HA PRO 17 HA PRO 17 35.994 -0.936 -1.079
105 HB2 PRO 17 HB2 PRO 17 36.175 -3.500 -0.252
106 HB3 PRO 17 HB3 PRO 17 37.569 -2.413 -0.266
107 HG2 PRO 17 HG2 PRO 17 35.804 -3.200 2.023
108 HG3 PRO 17 HG3 PRO 17 37.573 -3.070 1.969
109 HD2 PRO 17 HD2 PRO 17 35.980 -1.133 3.017
110 HD3 PRO 17 HD3 PRO 17 37.536 -0.786 2.239
111 HA PRO 18 HA PRO 18 31.616 -1.740 -1.283
112 HB2 PRO 18 HB2 PRO 18 31.577 -2.942 -3.764
113 HB3 PRO 18 HB3 PRO 18 31.655 -1.193 -3.521
114 HG2 PRO 18 HG2 PRO 18 33.856 -3.127 -4.118
115 HG3 PRO 18 HG3 PRO 18 33.587 -1.498 -4.764
116 HD2 PRO 18 HD2 PRO 18 35.396 -1.989 -2.829
117 HD3 PRO 18 HD3 PRO 18 34.476 -0.473 -2.894
118 HA PRO 19 HA PRO 19 31.656 -5.869 0.552
119 HB2 PRO 19 HB2 PRO 19 28.730 -5.389 0.155
120 HB3 PRO 19 HB3 PRO 19 29.580 -5.973 1.589
121 HG2 PRO 19 HG2 PRO 19 28.710 -3.461 1.447
122 HG3 PRO 19 HG3 PRO 19 30.264 -3.847 2.207
123 HD2 PRO 19 HD2 PRO 19 29.707 -2.599 -0.435
124 HD3 PRO 19 HD3 PRO 19 31.067 -2.344 0.673
125 H SER 20 H SER 20 31.372 -7.936 -0.211
126 HA SER 20 HA SER 20 30.359 -8.180 -2.969
127 HB2 SER 20 HB2 SER 20 32.651 -9.476 -1.541
128 HB3 SER 20 HB3 SER 20 31.851 -10.348 -2.849
129 HG SER 20 HG SER 20 33.318 -7.957 -2.932
130 H GLY 21 H GLY 21 28.188 -8.541 -2.241
131 HA2 GLY 21 HA2 GLY 21 26.567 -10.269 -2.161
132 HA3 GLY 21 HA3 GLY 21 27.748 -11.311 -1.382
Start of MODEL 2
1 H1 GLY -1 H GLY -1 24.995 -9.505 -1.044
2 HA2 GLY -1 HA2 GLY -1 23.950 -9.861 1.169
3 HA3 GLY -1 HA3 GLY -1 25.414 -9.176 1.861
4 H ASP 1 H ASP 1 23.091 -8.079 2.630
5 HA ASP 1 HA ASP 1 22.211 -5.917 0.993
6 HB2 ASP 1 HB2 ASP 1 20.837 -6.985 2.807
7 HB3 ASP 1 HB3 ASP 1 21.864 -6.175 3.988
8 H ALA 2 H ALA 2 25.042 -6.298 2.814
9 HA ALA 2 HA ALA 2 25.515 -3.845 3.987
10 HB1 ALA 2 HB1 ALA 2 27.919 -4.297 3.632
11 HB2 ALA 2 HB2 ALA 2 27.486 -5.632 2.565
12 HB3 ALA 2 HB3 ALA 2 27.044 -5.688 4.272
13 H TYR 3 H TYR 3 25.704 -4.705 0.567
14 HA TYR 3 HA TYR 3 27.067 -2.445 -0.371
15 HB2 TYR 3 HB2 TYR 3 26.516 -4.550 -1.672
16 HB3 TYR 3 HB3 TYR 3 24.896 -3.895 -1.886
17 HD1 TYR 3 HD1 TYR 3 28.485 -3.138 -2.520
18 HD2 TYR 3 HD2 TYR 3 24.446 -2.423 -3.653
19 HE1 TYR 3 HE1 TYR 3 29.264 -1.880 -4.484
20 HE2 TYR 3 HE2 TYR 3 25.214 -1.165 -5.620
21 HH TYR 3 HH TYR 3 27.751 -1.318 -7.034
22 H ALA 4 H ALA 4 23.633 -2.952 0.310
23 HA ALA 4 HA ALA 4 22.595 -0.633 -0.848
24 HB1 ALA 4 HB1 ALA 4 21.574 -1.851 1.709
25 HB2 ALA 4 HB2 ALA 4 21.298 -2.570 0.122
26 HB3 ALA 4 HB3 ALA 4 20.664 -0.965 0.486
27 H GLN 5 H GLN 5 23.899 -1.170 2.415
28 HA GLN 5 HA GLN 5 23.496 1.534 3.265
29 HB2 GLN 5 HB2 GLN 5 25.178 -0.704 4.407
30 HB3 GLN 5 HB3 GLN 5 24.976 0.861 5.181
31 HG2 GLN 5 HG2 GLN 5 23.048 0.250 6.081
32 HG3 GLN 5 HG3 GLN 5 22.417 -0.272 4.520
33 HE21 GLN 5 HE21 GLN 5 23.551 -1.250 7.555
34 HE22 GLN 5 HE22 GLN 5 23.578 -2.953 7.268
35 H TRP 6 H TRP 6 26.106 -0.254 1.753
36 HA TRP 6 HA TRP 6 28.237 1.492 2.201
37 HB2 TRP 6 HB2 TRP 6 28.480 -0.772 1.235
38 HB3 TRP 6 HB3 TRP 6 27.720 -0.210 -0.250
39 HD1 TRP 6 HD1 TRP 6 30.855 0.675 1.870
40 HE1 TRP 6 HE1 TRP 6 32.736 1.343 0.249
41 HE3 TRP 6 HE3 TRP 6 28.290 0.334 -2.537
42 HZ2 TRP 6 HZ2 TRP 6 33.085 1.680 -2.535
43 HZ3 TRP 6 HZ3 TRP 6 29.475 0.847 -4.632
44 HH2 TRP 6 HH2 TRP 6 31.826 1.505 -4.620
45 H LEU 7 H LEU 7 25.875 1.426 -0.464
46 HA LEU 7 HA LEU 7 26.916 3.660 -1.850
47 HB2 LEU 7 HB2 LEU 7 24.157 2.441 -1.828
48 HB3 LEU 7 HB3 LEU 7 24.636 3.729 -2.914
49 HG LEU 7 HG LEU 7 25.933 1.003 -2.831
50 HD11 LEU 7 HD11 LEU 7 23.812 0.545 -3.637
51 HD12 LEU 7 HD12 LEU 7 24.734 0.850 -5.110
52 HD13 LEU 7 HD13 LEU 7 23.676 2.100 -4.457
53 HD21 LEU 7 HD21 LEU 7 26.335 3.448 -4.509
54 HD22 LEU 7 HD22 LEU 7 26.635 1.849 -5.187
55 HD23 LEU 7 HD23 LEU 7 27.532 2.385 -3.769
56 H ALA 8 H ALA 8 24.529 3.322 0.725
57 HA ALA 8 HA ALA 8 23.521 5.952 0.690
58 HB1 ALA 8 HB1 ALA 8 23.503 4.940 3.352
59 HB2 ALA 8 HB2 ALA 8 23.138 3.625 2.234
60 HB3 ALA 8 HB3 ALA 8 22.169 5.098 2.209
61 H ASP 9 H ASP 9 26.444 4.587 2.043
62 HA ASP 9 HA ASP 9 27.029 6.886 3.690
63 HB2 ASP 9 HB2 ASP 9 27.775 4.331 3.918
64 HB3 ASP 9 HB3 ASP 9 29.153 4.919 2.991
65 H GLY 10 H GLY 10 27.052 6.560 0.433
66 HA2 GLY 10 HA2 GLY 10 27.843 8.395 -0.900
67 HA3 GLY 10 HA3 GLY 10 29.237 8.509 0.158
68 H GLY 11 H GLY 11 28.524 5.266 -0.582
69 HA2 GLY 11 HA2 GLY 11 29.597 3.712 -1.882
70 HA3 GLY 11 HA3 GLY 11 29.600 4.947 -3.131
71 HA PRO 12 HA PRO 12 34.080 4.118 -2.736
72 HB2 PRO 12 HB2 PRO 12 34.019 6.372 -4.699
73 HB3 PRO 12 HB3 PRO 12 34.928 4.859 -4.764
74 HG2 PRO 12 HG2 PRO 12 32.749 5.210 -6.252
75 HG3 PRO 12 HG3 PRO 12 33.101 3.643 -5.502
76 HD2 PRO 12 HD2 PRO 12 31.080 5.694 -4.749
77 HD3 PRO 12 HD3 PRO 12 31.013 3.927 -4.605
78 H SER 13 H SER 13 32.496 7.299 -2.720
79 HA SER 13 HA SER 13 34.597 8.845 -1.743
80 HB2 SER 13 HB2 SER 13 32.395 9.690 -2.629
81 HB3 SER 13 HB3 SER 13 31.679 9.266 -1.074
82 HG SER 13 HG SER 13 33.524 11.278 -1.703
83 H SER 14 H SER 14 32.337 6.765 -0.006
84 HA SER 14 HA SER 14 32.697 7.644 2.592
85 HB2 SER 14 HB2 SER 14 31.879 5.523 3.298
86 HB3 SER 14 HB3 SER 14 31.087 5.866 1.765
87 HG SER 14 HG SER 14 32.276 4.341 0.792
88 H GLY 15 H GLY 15 34.838 5.669 0.617
89 HA2 GLY 15 HA2 GLY 15 37.156 5.467 0.960
90 HA3 GLY 15 HA3 GLY 15 36.935 5.999 2.621
91 H ARG 16 H ARG 16 34.846 3.522 1.391
92 HA ARG 16 HA ARG 16 36.421 1.460 2.777
93 HB2 ARG 16 HB2 ARG 16 34.707 1.875 4.317
94 HB3 ARG 16 HB3 ARG 16 33.516 2.170 3.063
95 HG2 ARG 16 HG2 ARG 16 32.927 0.013 2.934
96 HG3 ARG 16 HG3 ARG 16 34.584 -0.563 3.111
97 HD2 ARG 16 HD2 ARG 16 33.547 -1.304 5.058
98 HD3 ARG 16 HD3 ARG 16 34.357 0.178 5.565
99 HE ARG 16 HE ARG 16 31.634 0.575 4.724
100 HH11 ARG 16 HH11 ARG 16 33.685 -0.260 7.440
101 HH12 ARG 16 HH12 ARG 16 32.529 0.248 8.623
102 HH21 ARG 16 HH21 ARG 16 30.119 1.242 6.293
103 HH22 ARG 16 HH22 ARG 16 30.508 1.098 7.974
104 HA PRO 17 HA PRO 17 35.896 -0.757 -1.026
105 HB2 PRO 17 HB2 PRO 17 36.198 -3.329 -0.183
106 HB3 PRO 17 HB3 PRO 17 37.545 -2.203 -0.375
107 HG2 PRO 17 HG2 PRO 17 36.112 -3.045 2.102
108 HG3 PRO 17 HG3 PRO 17 37.838 -2.736 1.849
109 HD2 PRO 17 HD2 PRO 17 36.152 -0.968 3.054
110 HD3 PRO 17 HD3 PRO 17 37.607 -0.479 2.163
111 HA PRO 18 HA PRO 18 31.571 -1.758 -1.170
112 HB2 PRO 18 HB2 PRO 18 31.588 -3.080 -3.597
113 HB3 PRO 18 HB3 PRO 18 31.570 -1.321 -3.431
114 HG2 PRO 18 HG2 PRO 18 33.869 -3.157 -3.955
115 HG3 PRO 18 HG3 PRO 18 33.517 -1.570 -4.663
116 HD2 PRO 18 HD2 PRO 18 35.353 -1.884 -2.727
117 HD3 PRO 18 HD3 PRO 18 34.341 -0.430 -2.830
118 HA PRO 19 HA PRO 19 31.676 -5.802 0.823
119 HB2 PRO 19 HB2 PRO 19 28.750 -5.488 0.282
120 HB3 PRO 19 HB3 PRO 19 29.564 -5.965 1.776
121 HG2 PRO 19 HG2 PRO 19 28.583 -3.510 1.488
122 HG3 PRO 19 HG3 PRO 19 30.125 -3.780 2.318
123 HD2 PRO 19 HD2 PRO 19 29.602 -2.688 -0.400
124 HD3 PRO 19 HD3 PRO 19 30.900 -2.301 0.745
125 H SER 20 H SER 20 31.478 -7.930 0.167
126 HA SER 20 HA SER 20 30.789 -8.328 -2.664
127 HB2 SER 20 HB2 SER 20 32.539 -9.964 -0.813
128 HB3 SER 20 HB3 SER 20 32.163 -10.406 -2.477
129 HG SER 20 HG SER 20 33.348 -8.734 -3.206
130 H GLY 21 H GLY 21 28.498 -8.465 -2.213
131 HA2 GLY 21 HA2 GLY 21 26.705 -9.985 -2.264
132 HA3 GLY 21 HA3 GLY 21 27.712 -11.172 -1.450
Start of MODEL 3
1 H1 GLY -1 H GLY -1 24.540 -10.093 -1.179
2 HA2 GLY -1 HA2 GLY -1 23.781 -7.391 -1.900
3 HA3 GLY -1 HA3 GLY -1 22.747 -8.811 -1.928
4 H ASP 1 H ASP 1 24.431 -6.700 0.391
5 HA ASP 1 HA ASP 1 22.039 -6.178 1.852
6 HB2 ASP 1 HB2 ASP 1 23.305 -7.150 4.021
7 HB3 ASP 1 HB3 ASP 1 22.142 -8.086 3.092
8 H ALA 2 H ALA 2 25.480 -6.436 2.798
9 HA ALA 2 HA ALA 2 25.557 -3.961 4.120
10 HB1 ALA 2 HB1 ALA 2 28.025 -4.185 3.981
11 HB2 ALA 2 HB2 ALA 2 27.806 -5.573 2.918
12 HB3 ALA 2 HB3 ALA 2 27.224 -5.636 4.581
13 H TYR 3 H TYR 3 25.919 -4.800 0.751
14 HA TYR 3 HA TYR 3 27.237 -2.504 -0.179
15 HB2 TYR 3 HB2 TYR 3 26.768 -4.671 -1.445
16 HB3 TYR 3 HB3 TYR 3 25.155 -4.030 -1.740
17 HD1 TYR 3 HD1 TYR 3 28.761 -3.452 -2.364
18 HD2 TYR 3 HD2 TYR 3 24.773 -2.408 -3.425
19 HE1 TYR 3 HE1 TYR 3 29.607 -2.228 -4.320
20 HE2 TYR 3 HE2 TYR 3 25.610 -1.183 -5.384
21 HH TYR 3 HH TYR 3 28.014 -0.002 -5.931
22 H ALA 4 H ALA 4 23.832 -3.128 0.523
23 HA ALA 4 HA ALA 4 22.691 -0.897 -0.719
24 HB1 ALA 4 HB1 ALA 4 20.778 -1.291 0.577
25 HB2 ALA 4 HB2 ALA 4 21.712 -1.973 1.909
26 HB3 ALA 4 HB3 ALA 4 21.527 -2.878 0.407
27 H GLN 5 H GLN 5 24.074 -1.253 2.534
28 HA GLN 5 HA GLN 5 23.580 1.481 3.263
29 HB2 GLN 5 HB2 GLN 5 25.304 -0.652 4.536
30 HB3 GLN 5 HB3 GLN 5 25.016 0.936 5.235
31 HG2 GLN 5 HG2 GLN 5 23.004 0.361 6.009
32 HG3 GLN 5 HG3 GLN 5 22.569 -0.487 4.526
33 HE21 GLN 5 HE21 GLN 5 23.526 -2.651 4.231
34 HE22 GLN 5 HE22 GLN 5 23.758 -3.640 5.629
35 H TRP 6 H TRP 6 26.240 -0.333 1.874
36 HA TRP 6 HA TRP 6 28.349 1.448 2.267
37 HB2 TRP 6 HB2 TRP 6 28.639 -0.836 1.394
38 HB3 TRP 6 HB3 TRP 6 27.838 -0.372 -0.101
39 HD1 TRP 6 HD1 TRP 6 31.054 0.546 1.877
40 HE1 TRP 6 HE1 TRP 6 32.863 1.194 0.166
41 HE3 TRP 6 HE3 TRP 6 28.289 0.226 -2.409
42 HZ2 TRP 6 HZ2 TRP 6 33.091 1.524 -2.628
43 HZ3 TRP 6 HZ3 TRP 6 29.381 0.726 -4.558
44 HH2 TRP 6 HH2 TRP 6 31.738 1.360 -4.653
45 H LEU 7 H LEU 7 25.926 1.329 -0.335
46 HA LEU 7 HA LEU 7 26.983 3.495 -1.831
47 HB2 LEU 7 HB2 LEU 7 24.216 2.298 -1.711
48 HB3 LEU 7 HB3 LEU 7 24.663 3.568 -2.831
49 HG LEU 7 HG LEU 7 25.953 0.839 -2.744
50 HD11 LEU 7 HD11 LEU 7 23.835 0.344 -3.498
51 HD12 LEU 7 HD12 LEU 7 24.681 0.695 -5.005
52 HD13 LEU 7 HD13 LEU 7 23.630 1.911 -4.280
53 HD21 LEU 7 HD21 LEU 7 27.529 2.201 -3.753
54 HD22 LEU 7 HD22 LEU 7 26.313 3.255 -4.472
55 HD23 LEU 7 HD23 LEU 7 26.586 1.645 -5.135
56 H ALA 8 H ALA 8 24.516 3.265 0.703
57 HA ALA 8 HA ALA 8 23.650 5.946 0.620
58 HB1 ALA 8 HB1 ALA 8 22.193 5.220 2.109
59 HB2 ALA 8 HB2 ALA 8 23.471 4.865 3.272
60 HB3 ALA 8 HB3 ALA 8 23.003 3.655 2.077
61 H ASP 9 H ASP 9 26.411 4.424 2.144
62 HA ASP 9 HA ASP 9 27.017 6.640 3.868
63 HB2 ASP 9 HB2 ASP 9 27.688 4.093 4.054
64 HB3 ASP 9 HB3 ASP 9 29.079 4.612 3.109
65 H GLY 10 H GLY 10 27.241 6.344 0.564
66 HA2 GLY 10 HA2 GLY 10 28.083 8.338 -0.583
67 HA3 GLY 10 HA3 GLY 10 29.479 8.267 0.475
68 H GLY 11 H GLY 11 28.760 5.116 -0.401
69 HA2 GLY 11 HA2 GLY 11 29.786 3.627 -1.808
70 HA3 GLY 11 HA3 GLY 11 29.649 4.887 -3.025
71 HA PRO 12 HA PRO 12 34.172 4.132 -2.942
72 HB2 PRO 12 HB2 PRO 12 33.894 6.277 -5.008
73 HB3 PRO 12 HB3 PRO 12 34.840 4.785 -5.067
74 HG2 PRO 12 HG2 PRO 12 32.548 4.992 -6.399
75 HG3 PRO 12 HG3 PRO 12 32.994 3.482 -5.584
76 HD2 PRO 12 HD2 PRO 12 30.993 5.542 -4.796
77 HD3 PRO 12 HD3 PRO 12 30.965 3.784 -4.558
78 H SER 13 H SER 13 32.498 7.266 -2.944
79 HA SER 13 HA SER 13 34.645 8.896 -2.192
80 HB2 SER 13 HB2 SER 13 31.746 9.314 -1.434
81 HB3 SER 13 HB3 SER 13 32.996 10.548 -1.582
82 HG SER 13 HG SER 13 31.445 9.410 -3.508
83 H SER 14 H SER 14 32.410 6.994 -0.210
84 HA SER 14 HA SER 14 33.001 8.026 2.297
85 HB2 SER 14 HB2 SER 14 32.027 6.070 3.203
86 HB3 SER 14 HB3 SER 14 31.205 6.324 1.669
87 HG SER 14 HG SER 14 32.280 4.642 0.799
88 H GLY 15 H GLY 15 34.839 5.767 0.328
89 HA2 GLY 15 HA2 GLY 15 37.140 5.361 0.535
90 HA3 GLY 15 HA3 GLY 15 37.097 6.049 2.150
91 H ARG 16 H ARG 16 34.705 3.691 1.324
92 HA ARG 16 HA ARG 16 36.115 1.694 2.967
93 HB2 ARG 16 HB2 ARG 16 33.889 2.788 3.762
94 HB3 ARG 16 HB3 ARG 16 33.133 1.747 2.569
95 HG2 ARG 16 HG2 ARG 16 33.492 -0.135 3.775
96 HG3 ARG 16 HG3 ARG 16 34.995 0.470 4.481
97 HD2 ARG 16 HD2 ARG 16 33.912 1.064 6.324
98 HD3 ARG 16 HD3 ARG 16 32.853 2.112 5.383
99 HE ARG 16 HE ARG 16 31.216 0.474 5.430
100 HH11 ARG 16 HH11 ARG 16 34.208 -0.822 6.721
101 HH12 ARG 16 HH12 ARG 16 33.454 -2.241 7.365
102 HH21 ARG 16 HH21 ARG 16 30.237 -1.396 6.282
103 HH22 ARG 16 HH22 ARG 16 31.202 -2.568 7.117
104 HA PRO 17 HA PRO 17 36.003 -0.927 -0.618
105 HB2 PRO 17 HB2 PRO 17 36.213 -3.382 0.503
106 HB3 PRO 17 HB3 PRO 17 37.565 -2.246 0.432
107 HG2 PRO 17 HG2 PRO 17 35.745 -2.893 2.710
108 HG3 PRO 17 HG3 PRO 17 37.494 -2.600 2.716
109 HD2 PRO 17 HD2 PRO 17 35.635 -0.735 3.452
110 HD3 PRO 17 HD3 PRO 17 37.237 -0.330 2.804
111 HA PRO 18 HA PRO 18 31.701 -1.956 -1.120
112 HB2 PRO 18 HB2 PRO 18 31.964 -3.473 -3.415
113 HB3 PRO 18 HB3 PRO 18 31.929 -1.705 -3.396
114 HG2 PRO 18 HG2 PRO 18 34.271 -3.558 -3.530
115 HG3 PRO 18 HG3 PRO 18 33.990 -2.039 -4.402
116 HD2 PRO 18 HD2 PRO 18 35.620 -2.172 -2.268
117 HD3 PRO 18 HD3 PRO 18 34.624 -0.739 -2.597
118 HA PRO 19 HA PRO 19 31.858 -5.859 1.183
119 HB2 PRO 19 HB2 PRO 19 28.913 -5.461 0.916
120 HB3 PRO 19 HB3 PRO 19 29.865 -5.822 2.360
121 HG2 PRO 19 HG2 PRO 19 28.905 -3.378 1.942
122 HG3 PRO 19 HG3 PRO 19 30.519 -3.615 2.638
123 HD2 PRO 19 HD2 PRO 19 29.747 -2.809 -0.130
124 HD3 PRO 19 HD3 PRO 19 31.123 -2.284 0.860
125 H SER 20 H SER 20 31.411 -8.010 0.714
126 HA SER 20 HA SER 20 30.598 -8.534 -2.052
127 HB2 SER 20 HB2 SER 20 32.367 -9.905 -0.092
128 HB3 SER 20 HB3 SER 20 31.493 -10.930 -1.228
129 HG SER 20 HG SER 20 33.462 -9.000 -1.714
130 H GLY 21 H GLY 21 28.329 -8.165 -1.501
131 HA2 GLY 21 HA2 GLY 21 26.807 -10.445 -1.320
132 HA3 GLY 21 HA3 GLY 21 26.984 -9.899 0.341
Start of MODEL 4
1 H1 GLY -1 H GLY -1 25.389 -7.325 -1.346
2 HA2 GLY -1 HA2 GLY -1 23.507 -9.072 -0.146
3 HA3 GLY -1 HA3 GLY -1 24.945 -8.950 0.858
4 H ASP 1 H ASP 1 23.327 -8.063 2.410
5 HA ASP 1 HA ASP 1 22.048 -5.582 1.972
6 HB2 ASP 1 HB2 ASP 1 21.686 -5.544 4.393
7 HB3 ASP 1 HB3 ASP 1 21.346 -7.141 3.735
8 H ALA 2 H ALA 2 25.271 -6.398 3.109
9 HA ALA 2 HA ALA 2 26.023 -4.000 4.303
10 HB1 ALA 2 HB1 ALA 2 28.334 -4.645 3.816
11 HB2 ALA 2 HB2 ALA 2 27.755 -5.886 2.705
12 HB3 ALA 2 HB3 ALA 2 27.394 -6.005 4.429
13 H TYR 3 H TYR 3 25.980 -4.885 0.873
14 HA TYR 3 HA TYR 3 27.361 -2.619 -0.086
15 HB2 TYR 3 HB2 TYR 3 26.883 -4.767 -1.348
16 HB3 TYR 3 HB3 TYR 3 25.255 -4.151 -1.608
17 HD1 TYR 3 HD1 TYR 3 28.842 -3.285 -2.173
18 HD2 TYR 3 HD2 TYR 3 24.808 -2.773 -3.433
19 HE1 TYR 3 HE1 TYR 3 29.621 -2.060 -4.156
20 HE2 TYR 3 HE2 TYR 3 25.579 -1.545 -5.417
21 HH TYR 3 HH TYR 3 28.019 -0.096 -5.853
22 H ALA 4 H ALA 4 23.963 -3.170 0.670
23 HA ALA 4 HA ALA 4 22.846 -0.937 -0.590
24 HB1 ALA 4 HB1 ALA 4 21.687 -2.907 0.603
25 HB2 ALA 4 HB2 ALA 4 20.931 -1.316 0.679
26 HB3 ALA 4 HB3 ALA 4 21.846 -1.923 2.058
27 H GLN 5 H GLN 5 24.222 -1.279 2.672
28 HA GLN 5 HA GLN 5 23.754 1.446 3.398
29 HB2 GLN 5 HB2 GLN 5 24.985 -0.923 4.628
30 HB3 GLN 5 HB3 GLN 5 25.727 0.600 5.098
31 HG2 GLN 5 HG2 GLN 5 22.760 0.290 5.198
32 HG3 GLN 5 HG3 GLN 5 23.766 -0.369 6.486
33 HE21 GLN 5 HE21 GLN 5 22.728 2.546 4.860
34 HE22 GLN 5 HE22 GLN 5 23.213 3.643 6.102
35 H TRP 6 H TRP 6 26.416 -0.321 1.945
36 HA TRP 6 HA TRP 6 28.475 1.541 2.279
37 HB2 TRP 6 HB2 TRP 6 28.836 -0.752 1.462
38 HB3 TRP 6 HB3 TRP 6 28.008 -0.353 -0.038
39 HD1 TRP 6 HD1 TRP 6 31.180 0.755 1.904
40 HE1 TRP 6 HE1 TRP 6 32.962 1.437 0.178
41 HE3 TRP 6 HE3 TRP 6 28.436 0.188 -2.367
42 HZ2 TRP 6 HZ2 TRP 6 33.175 1.696 -2.628
43 HZ3 TRP 6 HZ3 TRP 6 29.505 0.673 -4.530
44 HH2 TRP 6 HH2 TRP 6 31.831 1.409 -4.646
45 H LEU 7 H LEU 7 26.092 1.216 -0.350
46 HA LEU 7 HA LEU 7 27.029 3.365 -1.918
47 HB2 LEU 7 HB2 LEU 7 24.307 2.087 -1.685
48 HB3 LEU 7 HB3 LEU 7 24.665 3.346 -2.846
49 HG LEU 7 HG LEU 7 26.074 0.676 -2.740
50 HD11 LEU 7 HD11 LEU 7 24.756 0.336 -4.904
51 HD12 LEU 7 HD12 LEU 7 23.710 1.628 -4.315
52 HD13 LEU 7 HD13 LEU 7 23.896 0.147 -3.376
53 HD21 LEU 7 HD21 LEU 7 26.300 3.080 -4.501
54 HD22 LEU 7 HD22 LEU 7 26.571 1.477 -5.181
55 HD23 LEU 7 HD23 LEU 7 27.565 2.043 -3.841
56 H ALA 8 H ALA 8 24.637 3.184 0.688
57 HA ALA 8 HA ALA 8 23.726 5.854 0.523
58 HB1 ALA 8 HB1 ALA 8 23.137 3.601 2.077
59 HB2 ALA 8 HB2 ALA 8 22.296 5.150 2.054
60 HB3 ALA 8 HB3 ALA 8 23.595 4.870 3.212
61 H ASP 9 H ASP 9 26.552 4.414 1.976
62 HA ASP 9 HA ASP 9 27.177 6.684 3.637
63 HB2 ASP 9 HB2 ASP 9 27.882 4.111 3.824
64 HB3 ASP 9 HB3 ASP 9 29.276 4.695 2.920
65 H GLY 10 H GLY 10 27.263 6.318 0.358
66 HA2 GLY 10 HA2 GLY 10 28.075 8.212 -0.923
67 HA3 GLY 10 HA3 GLY 10 29.488 8.238 0.116
68 H GLY 11 H GLY 11 28.696 5.033 -0.647
69 HA2 GLY 11 HA2 GLY 11 29.689 3.476 -2.004
70 HA3 GLY 11 HA3 GLY 11 29.673 4.725 -3.238
71 HA PRO 12 HA PRO 12 34.149 3.841 -2.990
72 HB2 PRO 12 HB2 PRO 12 34.077 6.136 -4.905
73 HB3 PRO 12 HB3 PRO 12 34.948 4.604 -5.030
74 HG2 PRO 12 HG2 PRO 12 32.737 5.037 -6.448
75 HG3 PRO 12 HG3 PRO 12 33.074 3.446 -5.741
76 HD2 PRO 12 HD2 PRO 12 31.125 5.528 -4.884
77 HD3 PRO 12 HD3 PRO 12 31.016 3.759 -4.784
78 H SER 13 H SER 13 32.648 7.071 -2.916
79 HA SER 13 HA SER 13 34.879 8.410 -1.783
80 HB2 SER 13 HB2 SER 13 32.005 9.303 -1.554
81 HB3 SER 13 HB3 SER 13 33.456 10.304 -1.572
82 HG SER 13 HG SER 13 32.085 9.989 -3.598
83 H SER 14 H SER 14 32.343 6.485 -0.381
84 HA SER 14 HA SER 14 32.116 7.475 2.174
85 HB2 SER 14 HB2 SER 14 31.314 5.351 2.827
86 HB3 SER 14 HB3 SER 14 30.902 5.479 1.124
87 HG SER 14 HG SER 14 32.424 4.025 0.626
88 H GLY 15 H GLY 15 34.725 5.490 0.839
89 HA2 GLY 15 HA2 GLY 15 36.964 5.793 1.695
90 HA3 GLY 15 HA3 GLY 15 36.272 6.049 3.287
91 H ARG 16 H ARG 16 34.469 3.589 2.261
92 HA ARG 16 HA ARG 16 36.363 1.572 3.262
93 HB2 ARG 16 HB2 ARG 16 33.980 0.358 3.611
94 HB3 ARG 16 HB3 ARG 16 34.750 1.348 4.838
95 HG2 ARG 16 HG2 ARG 16 33.417 3.295 3.866
96 HG3 ARG 16 HG3 ARG 16 32.483 2.068 3.009
97 HD2 ARG 16 HD2 ARG 16 32.474 1.056 5.521
98 HD3 ARG 16 HD3 ARG 16 32.516 2.785 5.865
99 HE ARG 16 HE ARG 16 30.540 2.586 4.037
100 HH11 ARG 16 HH11 ARG 16 31.161 0.903 7.045
101 HH12 ARG 16 HH12 ARG 16 29.486 0.616 7.372
102 HH21 ARG 16 HH21 ARG 16 28.334 2.203 4.474
103 HH22 ARG 16 HH22 ARG 16 27.881 1.353 5.913
104 HA PRO 17 HA PRO 17 35.993 -0.641 -0.540
105 HB2 PRO 17 HB2 PRO 17 36.315 -3.204 0.231
106 HB3 PRO 17 HB3 PRO 17 37.632 -2.027 0.309
107 HG2 PRO 17 HG2 PRO 17 35.826 -2.992 2.497
108 HG3 PRO 17 HG3 PRO 17 37.582 -2.748 2.524
109 HD2 PRO 17 HD2 PRO 17 35.819 -0.947 3.546
110 HD3 PRO 17 HD3 PRO 17 37.389 -0.485 2.857
111 HA PRO 18 HA PRO 18 31.693 -1.761 -0.961
112 HB2 PRO 18 HB2 PRO 18 31.858 -2.909 -3.458
113 HB3 PRO 18 HB3 PRO 18 31.802 -1.165 -3.183
114 HG2 PRO 18 HG2 PRO 18 34.153 -2.930 -3.714
115 HG3 PRO 18 HG3 PRO 18 33.806 -1.307 -4.336
116 HD2 PRO 18 HD2 PRO 18 35.554 -1.738 -2.326
117 HD3 PRO 18 HD3 PRO 18 34.555 -0.273 -2.413
118 HA PRO 19 HA PRO 19 32.210 -6.027 0.560
119 HB2 PRO 19 HB2 PRO 19 29.304 -5.704 1.052
120 HB3 PRO 19 HB3 PRO 19 30.580 -6.163 2.182
121 HG2 PRO 19 HG2 PRO 19 29.427 -3.751 2.281
122 HG3 PRO 19 HG3 PRO 19 31.152 -3.971 2.632
123 HD2 PRO 19 HD2 PRO 19 29.840 -2.915 0.164
124 HD3 PRO 19 HD3 PRO 19 31.326 -2.380 0.970
125 H SER 20 H SER 20 30.861 -8.062 0.180
126 HA SER 20 HA SER 20 30.482 -8.406 -2.620
127 HB2 SER 20 HB2 SER 20 31.135 -10.118 -0.681
128 HB3 SER 20 HB3 SER 20 29.398 -10.417 -0.699
129 HG SER 20 HG SER 20 29.715 -11.563 -2.418
130 H GLY 21 H GLY 21 28.377 -9.745 -3.280
131 HA2 GLY 21 HA2 GLY 21 26.244 -7.911 -3.299
132 HA3 GLY 21 HA3 GLY 21 26.154 -9.586 -3.822
Start of MODEL 5
1 H1 GLY -1 H GLY -1 25.240 -8.283 -1.371
2 HA2 GLY -1 HA2 GLY -1 23.525 -9.630 0.302
3 HA3 GLY -1 HA3 GLY -1 24.907 -9.211 1.306
4 H ASP 1 H ASP 1 22.908 -8.091 2.335
5 HA ASP 1 HA ASP 1 21.926 -5.706 1.137
6 HB2 ASP 1 HB2 ASP 1 20.755 -6.989 2.958
7 HB3 ASP 1 HB3 ASP 1 21.945 -6.351 4.092
8 H ALA 2 H ALA 2 24.876 -6.402 2.767
9 HA ALA 2 HA ALA 2 25.499 -4.001 4.011
10 HB1 ALA 2 HB1 ALA 2 26.891 -5.974 4.252
11 HB2 ALA 2 HB2 ALA 2 27.856 -4.610 3.690
12 HB3 ALA 2 HB3 ALA 2 27.370 -5.869 2.557
13 H TYR 3 H TYR 3 25.635 -4.839 0.586
14 HA TYR 3 HA TYR 3 27.135 -2.650 -0.327
15 HB2 TYR 3 HB2 TYR 3 26.458 -4.748 -1.619
16 HB3 TYR 3 HB3 TYR 3 24.912 -3.952 -1.896
17 HD1 TYR 3 HD1 TYR 3 28.576 -3.534 -2.410
18 HD2 TYR 3 HD2 TYR 3 24.659 -2.449 -3.670
19 HE1 TYR 3 HE1 TYR 3 29.529 -2.366 -4.351
20 HE2 TYR 3 HE2 TYR 3 25.604 -1.276 -5.614
21 HH TYR 3 HH TYR 3 28.187 -0.151 -6.009
22 H ALA 4 H ALA 4 23.667 -3.001 0.285
23 HA ALA 4 HA ALA 4 22.779 -0.612 -0.867
24 HB1 ALA 4 HB1 ALA 4 20.767 -0.968 0.221
25 HB2 ALA 4 HB2 ALA 4 21.541 -1.669 1.642
26 HB3 ALA 4 HB3 ALA 4 21.443 -2.595 0.145
27 H GLN 5 H GLN 5 23.940 -1.280 2.427
28 HA GLN 5 HA GLN 5 23.585 1.389 3.366
29 HB2 GLN 5 HB2 GLN 5 25.296 -0.863 4.436
30 HB3 GLN 5 HB3 GLN 5 25.000 0.652 5.277
31 HG2 GLN 5 HG2 GLN 5 22.471 -0.085 4.850
32 HG3 GLN 5 HG3 GLN 5 23.227 -1.678 4.877
33 HE21 GLN 5 HE21 GLN 5 21.467 0.063 6.749
34 HE22 GLN 5 HE22 GLN 5 22.212 -0.166 8.291
35 H TRP 6 H TRP 6 26.252 -0.389 1.915
36 HA TRP 6 HA TRP 6 28.335 1.423 2.395
37 HB2 TRP 6 HB2 TRP 6 28.726 -0.847 1.561
38 HB3 TRP 6 HB3 TRP 6 27.915 -0.452 0.052
39 HD1 TRP 6 HD1 TRP 6 31.086 0.661 2.014
40 HE1 TRP 6 HE1 TRP 6 32.874 1.326 0.289
41 HE3 TRP 6 HE3 TRP 6 28.367 0.054 -2.277
42 HZ2 TRP 6 HZ2 TRP 6 33.109 1.558 -2.509
43 HZ3 TRP 6 HZ3 TRP 6 29.457 0.518 -4.435
44 HH2 TRP 6 HH2 TRP 6 31.784 1.254 -4.538
45 H LEU 7 H LEU 7 25.988 1.243 -0.270
46 HA LEU 7 HA LEU 7 27.052 3.409 -1.765
47 HB2 LEU 7 HB2 LEU 7 24.296 2.181 -1.699
48 HB3 LEU 7 HB3 LEU 7 24.761 3.438 -2.824
49 HG LEU 7 HG LEU 7 26.053 0.713 -2.667
50 HD11 LEU 7 HD11 LEU 7 24.004 0.178 -3.522
51 HD12 LEU 7 HD12 LEU 7 24.859 0.617 -5.001
52 HD13 LEU 7 HD13 LEU 7 23.762 1.770 -4.241
53 HD21 LEU 7 HD21 LEU 7 26.495 3.123 -4.380
54 HD22 LEU 7 HD22 LEU 7 26.766 1.515 -5.047
55 HD23 LEU 7 HD23 LEU 7 27.674 2.045 -3.633
56 H ALA 8 H ALA 8 24.606 3.168 0.773
57 HA ALA 8 HA ALA 8 23.603 5.788 0.630
58 HB1 ALA 8 HB1 ALA 8 23.407 3.541 2.450
59 HB2 ALA 8 HB2 ALA 8 22.207 4.752 2.003
60 HB3 ALA 8 HB3 ALA 8 23.369 5.095 3.283
61 H ASP 9 H ASP 9 26.551 4.535 2.019
62 HA ASP 9 HA ASP 9 27.048 6.906 3.605
63 HB2 ASP 9 HB2 ASP 9 27.805 4.379 3.987
64 HB3 ASP 9 HB3 ASP 9 29.204 4.921 3.067
65 H GLY 10 H GLY 10 26.984 6.718 0.443
66 HA2 GLY 10 HA2 GLY 10 27.860 8.402 -0.965
67 HA3 GLY 10 HA3 GLY 10 29.233 8.562 0.116
68 H GLY 11 H GLY 11 28.643 5.289 -0.443
69 HA2 GLY 11 HA2 GLY 11 29.762 3.695 -1.649
70 HA3 GLY 11 HA3 GLY 11 29.693 4.839 -2.980
71 HA PRO 12 HA PRO 12 34.209 4.168 -2.602
72 HB2 PRO 12 HB2 PRO 12 34.025 6.199 -4.788
73 HB3 PRO 12 HB3 PRO 12 34.986 4.718 -4.719
74 HG2 PRO 12 HG2 PRO 12 32.766 4.834 -6.179
75 HG3 PRO 12 HG3 PRO 12 33.183 3.370 -5.270
76 HD2 PRO 12 HD2 PRO 12 31.119 5.437 -4.695
77 HD3 PRO 12 HD3 PRO 12 31.104 3.693 -4.363
78 H SER 13 H SER 13 32.470 7.251 -2.761
79 HA SER 13 HA SER 13 34.494 9.033 -2.135
80 HB2 SER 13 HB2 SER 13 32.141 9.637 -2.754
81 HB3 SER 13 HB3 SER 13 31.650 9.210 -1.115
82 HG SER 13 HG SER 13 33.201 11.365 -2.012
83 H SER 14 H SER 14 32.532 7.066 0.081
84 HA SER 14 HA SER 14 33.389 8.155 2.494
85 HB2 SER 14 HB2 SER 14 32.529 6.176 3.527
86 HB3 SER 14 HB3 SER 14 31.496 6.527 2.146
87 HG SER 14 HG SER 14 32.111 4.727 1.237
88 H GLY 15 H GLY 15 34.974 5.846 0.374
89 HA2 GLY 15 HA2 GLY 15 37.289 5.423 0.363
90 HA3 GLY 15 HA3 GLY 15 37.396 6.071 1.992
91 H ARG 16 H ARG 16 34.905 3.771 1.294
92 HA ARG 16 HA ARG 16 36.400 1.712 2.777
93 HB2 ARG 16 HB2 ARG 16 34.321 2.799 3.830
94 HB3 ARG 16 HB3 ARG 16 33.395 1.920 2.627
95 HG2 ARG 16 HG2 ARG 16 33.708 -0.077 3.642
96 HG3 ARG 16 HG3 ARG 16 35.308 0.358 4.252
97 HD2 ARG 16 HD2 ARG 16 34.263 0.519 6.231
98 HD3 ARG 16 HD3 ARG 16 33.742 2.090 5.625
99 HE ARG 16 HE ARG 16 32.004 -0.150 5.004
100 HH11 ARG 16 HH11 ARG 16 32.679 2.525 7.162
101 HH12 ARG 16 HH12 ARG 16 31.062 2.598 7.775
102 HH21 ARG 16 HH21 ARG 16 29.873 -0.050 5.826
103 HH22 ARG 16 HH22 ARG 16 29.472 1.141 7.020
104 HA PRO 17 HA PRO 17 35.922 -0.791 -0.866
105 HB2 PRO 17 HB2 PRO 17 36.248 -3.277 0.155
106 HB3 PRO 17 HB3 PRO 17 37.585 -2.138 -0.032
107 HG2 PRO 17 HG2 PRO 17 36.040 -2.865 2.414
108 HG3 PRO 17 HG3 PRO 17 37.772 -2.540 2.232
109 HD2 PRO 17 HD2 PRO 17 35.964 -0.734 3.221
110 HD3 PRO 17 HD3 PRO 17 37.494 -0.286 2.444
111 HA PRO 18 HA PRO 18 31.619 -1.893 -0.969
112 HB2 PRO 18 HB2 PRO 18 31.644 -3.338 -3.309
113 HB3 PRO 18 HB3 PRO 18 31.664 -1.570 -3.252
114 HG2 PRO 18 HG2 PRO 18 33.936 -3.481 -3.622
115 HG3 PRO 18 HG3 PRO 18 33.610 -1.952 -4.458
116 HD2 PRO 18 HD2 PRO 18 35.421 -2.137 -2.474
117 HD3 PRO 18 HD3 PRO 18 34.439 -0.677 -2.718
118 HA PRO 19 HA PRO 19 31.951 -5.878 1.164
119 HB2 PRO 19 HB2 PRO 19 28.987 -5.577 1.118
120 HB3 PRO 19 HB3 PRO 19 30.056 -5.906 2.485
121 HG2 PRO 19 HG2 PRO 19 28.957 -3.503 2.153
122 HG3 PRO 19 HG3 PRO 19 30.618 -3.674 2.748
123 HD2 PRO 19 HD2 PRO 19 29.648 -2.896 0.033
124 HD3 PRO 19 HD3 PRO 19 31.041 -2.295 0.953
125 H SER 20 H SER 20 30.804 -8.027 0.923
126 HA SER 20 HA SER 20 30.751 -8.747 -1.861
127 HB2 SER 20 HB2 SER 20 31.277 -10.098 0.549
128 HB3 SER 20 HB3 SER 20 29.829 -10.860 -0.106
129 HG SER 20 HG SER 20 32.415 -10.720 -1.170
130 H GLY 21 H GLY 21 28.882 -10.646 -2.204
131 HA2 GLY 21 HA2 GLY 21 26.549 -9.237 -2.802
132 HA3 GLY 21 HA3 GLY 21 26.680 -10.987 -2.742
Start of MODEL 6
1 H1 GLY -1 H GLY -1 25.030 -9.145 -1.252
2 HA2 GLY -1 HA2 GLY -1 24.018 -9.746 0.933
3 HA3 GLY -1 HA3 GLY -1 25.465 -9.070 1.667
4 H ASP 1 H ASP 1 23.116 -8.128 2.548
5 HA ASP 1 HA ASP 1 22.080 -5.899 1.137
6 HB2 ASP 1 HB2 ASP 1 21.941 -6.657 4.059
7 HB3 ASP 1 HB3 ASP 1 21.080 -5.284 3.368
8 H ALA 2 H ALA 2 24.996 -6.277 2.883
9 HA ALA 2 HA ALA 2 25.392 -3.787 4.051
10 HB1 ALA 2 HB1 ALA 2 27.804 -4.227 3.812
11 HB2 ALA 2 HB2 ALA 2 27.436 -5.579 2.742
12 HB3 ALA 2 HB3 ALA 2 26.922 -5.623 4.430
13 H TYR 3 H TYR 3 25.635 -4.733 0.667
14 HA TYR 3 HA TYR 3 27.047 -2.526 -0.319
15 HB2 TYR 3 HB2 TYR 3 26.490 -4.641 -1.578
16 HB3 TYR 3 HB3 TYR 3 24.865 -3.999 -1.798
17 HD1 TYR 3 HD1 TYR 3 28.446 -3.210 -2.458
18 HD2 TYR 3 HD2 TYR 3 24.394 -2.598 -3.608
19 HE1 TYR 3 HE1 TYR 3 29.202 -1.991 -4.454
20 HE2 TYR 3 HE2 TYR 3 25.142 -1.379 -5.608
21 HH TYR 3 HH TYR 3 27.769 -1.545 -6.992
22 H ALA 4 H ALA 4 23.588 -2.950 0.318
23 HA ALA 4 HA ALA 4 22.637 -0.618 -0.900
24 HB1 ALA 4 HB1 ALA 4 21.145 -2.366 -0.105
25 HB2 ALA 4 HB2 ALA 4 20.711 -0.815 0.612
26 HB3 ALA 4 HB3 ALA 4 21.590 -2.012 1.564
27 H GLN 5 H GLN 5 23.829 -1.160 2.408
28 HA GLN 5 HA GLN 5 23.464 1.546 3.244
29 HB2 GLN 5 HB2 GLN 5 25.101 -0.718 4.395
30 HB3 GLN 5 HB3 GLN 5 24.943 0.854 5.164
31 HG2 GLN 5 HG2 GLN 5 22.330 0.047 4.642
32 HG3 GLN 5 HG3 GLN 5 23.157 -1.404 5.205
33 HE21 GLN 5 HE21 GLN 5 22.374 1.929 6.005
34 HE22 GLN 5 HE22 GLN 5 22.530 1.750 7.715
35 H TRP 6 H TRP 6 26.098 -0.281 1.810
36 HA TRP 6 HA TRP 6 28.216 1.486 2.252
37 HB2 TRP 6 HB2 TRP 6 28.505 -0.804 1.378
38 HB3 TRP 6 HB3 TRP 6 27.748 -0.320 -0.136
39 HD1 TRP 6 HD1 TRP 6 30.896 0.603 1.951
40 HE1 TRP 6 HE1 TRP 6 32.758 1.259 0.305
41 HE3 TRP 6 HE3 TRP 6 28.286 0.242 -2.429
42 HZ2 TRP 6 HZ2 TRP 6 33.083 1.578 -2.484
43 HZ3 TRP 6 HZ3 TRP 6 29.449 0.738 -4.539
44 HH2 TRP 6 HH2 TRP 6 31.803 1.391 -4.555
45 H LEU 7 H LEU 7 25.860 1.353 -0.412
46 HA LEU 7 HA LEU 7 26.937 3.531 -1.874
47 HB2 LEU 7 HB2 LEU 7 24.176 2.314 -1.837
48 HB3 LEU 7 HB3 LEU 7 24.655 3.580 -2.948
49 HG LEU 7 HG LEU 7 25.955 0.859 -2.807
50 HD11 LEU 7 HD11 LEU 7 23.701 1.919 -4.458
51 HD12 LEU 7 HD12 LEU 7 23.835 0.382 -3.603
52 HD13 LEU 7 HD13 LEU 7 24.759 0.653 -5.081
53 HD21 LEU 7 HD21 LEU 7 27.553 2.227 -3.772
54 HD22 LEU 7 HD22 LEU 7 26.354 3.270 -4.534
55 HD23 LEU 7 HD23 LEU 7 26.659 1.658 -5.180
56 H ALA 8 H ALA 8 24.437 3.276 0.615
57 HA ALA 8 HA ALA 8 23.515 5.936 0.502
58 HB1 ALA 8 HB1 ALA 8 22.933 3.637 1.997
59 HB2 ALA 8 HB2 ALA 8 22.053 5.165 1.964
60 HB3 ALA 8 HB3 ALA 8 23.320 4.904 3.161
61 H ASP 9 H ASP 9 26.360 4.534 1.939
62 HA ASP 9 HA ASP 9 26.876 6.816 3.648
63 HB2 ASP 9 HB2 ASP 9 27.517 4.276 4.000
64 HB3 ASP 9 HB3 ASP 9 28.945 4.734 3.080
65 H GLY 10 H GLY 10 26.930 6.742 0.474
66 HA2 GLY 10 HA2 GLY 10 27.914 8.497 -0.793
67 HA3 GLY 10 HA3 GLY 10 29.280 8.489 0.309
68 H GLY 11 H GLY 11 28.539 5.302 -0.435
69 HA2 GLY 11 HA2 GLY 11 29.573 3.728 -1.743
70 HA3 GLY 11 HA3 GLY 11 29.556 4.949 -3.005
71 HA PRO 12 HA PRO 12 34.040 4.095 -2.690
72 HB2 PRO 12 HB2 PRO 12 33.949 6.312 -4.692
73 HB3 PRO 12 HB3 PRO 12 34.843 4.789 -4.752
74 HG2 PRO 12 HG2 PRO 12 32.633 5.134 -6.195
75 HG3 PRO 12 HG3 PRO 12 32.991 3.577 -5.426
76 HD2 PRO 12 HD2 PRO 12 31.004 5.658 -4.662
77 HD3 PRO 12 HD3 PRO 12 30.926 3.893 -4.485
78 H SER 13 H SER 13 32.462 7.276 -2.668
79 HA SER 13 HA SER 13 34.583 8.854 -1.808
80 HB2 SER 13 HB2 SER 13 31.665 9.190 -1.077
81 HB3 SER 13 HB3 SER 13 32.902 10.447 -1.037
82 HG SER 13 HG SER 13 31.376 9.807 -3.058
83 H SER 14 H SER 14 32.416 6.798 0.078
84 HA SER 14 HA SER 14 32.976 7.711 2.638
85 HB2 SER 14 HB2 SER 14 32.094 5.650 3.428
86 HB3 SER 14 HB3 SER 14 31.229 6.007 1.940
87 HG SER 14 HG SER 14 31.968 3.812 2.098
88 H GLY 15 H GLY 15 34.925 5.703 0.523
89 HA2 GLY 15 HA2 GLY 15 37.234 5.352 0.736
90 HA3 GLY 15 HA3 GLY 15 37.144 5.911 2.400
91 H ARG 16 H ARG 16 34.854 3.547 1.347
92 HA ARG 16 HA ARG 16 36.351 1.433 2.749
93 HB2 ARG 16 HB2 ARG 16 34.350 2.393 3.973
94 HB3 ARG 16 HB3 ARG 16 33.344 1.754 2.685
95 HG2 ARG 16 HG2 ARG 16 33.525 -0.379 3.410
96 HG3 ARG 16 HG3 ARG 16 35.171 -0.151 4.007
97 HD2 ARG 16 HD2 ARG 16 33.694 -0.512 5.874
98 HD3 ARG 16 HD3 ARG 16 34.279 1.150 5.900
99 HE ARG 16 HE ARG 16 32.132 1.903 5.376
100 HH11 ARG 16 HH11 ARG 16 32.232 -1.602 5.438
101 HH12 ARG 16 HH12 ARG 16 30.510 -1.768 5.494
102 HH21 ARG 16 HH21 ARG 16 29.868 1.671 5.453
103 HH22 ARG 16 HH22 ARG 16 29.168 0.088 5.502
104 HA PRO 17 HA PRO 17 35.794 -0.786 -1.071
105 HB2 PRO 17 HB2 PRO 17 36.174 -3.343 -0.247
106 HB3 PRO 17 HB3 PRO 17 37.495 -2.183 -0.422
107 HG2 PRO 17 HG2 PRO 17 36.087 -3.097 2.040
108 HG3 PRO 17 HG3 PRO 17 37.802 -2.730 1.796
109 HD2 PRO 17 HD2 PRO 17 36.022 -1.035 3.001
110 HD3 PRO 17 HD3 PRO 17 37.502 -0.500 2.185
111 HA PRO 18 HA PRO 18 31.482 -1.854 -1.088
112 HB2 PRO 18 HB2 PRO 18 31.448 -3.208 -3.498
113 HB3 PRO 18 HB3 PRO 18 31.409 -1.447 -3.351
114 HG2 PRO 18 HG2 PRO 18 33.724 -3.254 -3.913
115 HG3 PRO 18 HG3 PRO 18 33.320 -1.687 -4.638
116 HD2 PRO 18 HD2 PRO 18 35.215 -1.924 -2.753
117 HD3 PRO 18 HD3 PRO 18 34.163 -0.496 -2.841
118 HA PRO 19 HA PRO 19 31.724 -5.851 0.980
119 HB2 PRO 19 HB2 PRO 19 28.779 -5.591 0.492
120 HB3 PRO 19 HB3 PRO 19 29.629 -6.049 1.973
121 HG2 PRO 19 HG2 PRO 19 28.617 -3.607 1.697
122 HG3 PRO 19 HG3 PRO 19 30.186 -3.854 2.486
123 HD2 PRO 19 HD2 PRO 19 29.575 -2.783 -0.223
124 HD3 PRO 19 HD3 PRO 19 30.904 -2.381 0.880
125 H SER 20 H SER 20 31.741 -7.939 0.285
126 HA SER 20 HA SER 20 31.177 -8.419 -2.520
127 HB2 SER 20 HB2 SER 20 32.410 -10.182 -0.389
128 HB3 SER 20 HB3 SER 20 32.237 -10.638 -2.084
129 HG SER 20 HG SER 20 33.996 -8.861 -0.887
130 H GLY 21 H GLY 21 28.829 -8.188 -2.301
131 HA2 GLY 21 HA2 GLY 21 26.808 -9.310 -2.512
132 HA3 GLY 21 HA3 GLY 21 27.583 -10.766 -1.909
Start of MODEL 7
1 H1 GLY -1 H GLY -1 25.410 -7.997 -1.328
2 HA2 GLY -1 HA2 GLY -1 23.794 -9.532 0.369
3 HA3 GLY -1 HA3 GLY -1 25.254 -9.098 1.248
4 H ASP 1 H ASP 1 23.312 -8.115 2.509
5 HA ASP 1 HA ASP 1 22.143 -5.715 1.525
6 HB2 ASP 1 HB2 ASP 1 21.169 -7.126 3.356
7 HB3 ASP 1 HB3 ASP 1 22.437 -6.529 4.423
8 H ALA 2 H ALA 2 25.229 -6.373 2.943
9 HA ALA 2 HA ALA 2 25.826 -3.962 4.201
10 HB1 ALA 2 HB1 ALA 2 27.684 -5.789 2.678
11 HB2 ALA 2 HB2 ALA 2 27.281 -5.888 4.393
12 HB3 ALA 2 HB3 ALA 2 28.191 -4.508 3.780
13 H TYR 3 H TYR 3 25.925 -4.811 0.771
14 HA TYR 3 HA TYR 3 27.293 -2.545 -0.163
15 HB2 TYR 3 HB2 TYR 3 26.760 -4.672 -1.451
16 HB3 TYR 3 HB3 TYR 3 25.147 -4.009 -1.698
17 HD1 TYR 3 HD1 TYR 3 28.752 -3.215 -2.241
18 HD2 TYR 3 HD2 TYR 3 24.735 -2.606 -3.511
19 HE1 TYR 3 HE1 TYR 3 29.563 -1.974 -4.200
20 HE2 TYR 3 HE2 TYR 3 25.539 -1.364 -5.473
21 HH TYR 3 HH TYR 3 28.148 -1.499 -6.795
22 H ALA 4 H ALA 4 23.890 -3.056 0.604
23 HA ALA 4 HA ALA 4 22.798 -0.795 -0.619
24 HB1 ALA 4 HB1 ALA 4 20.878 -1.195 0.606
25 HB2 ALA 4 HB2 ALA 4 21.770 -1.748 2.023
26 HB3 ALA 4 HB3 ALA 4 21.647 -2.782 0.601
27 H GLN 5 H GLN 5 24.144 -1.186 2.655
28 HA GLN 5 HA GLN 5 23.724 1.533 3.409
29 HB2 GLN 5 HB2 GLN 5 25.323 -0.736 4.563
30 HB3 GLN 5 HB3 GLN 5 25.452 0.886 5.229
31 HG2 GLN 5 HG2 GLN 5 23.853 -0.049 6.578
32 HG3 GLN 5 HG3 GLN 5 22.864 0.758 5.362
33 HE21 GLN 5 HE21 GLN 5 21.351 -0.409 4.387
34 HE22 GLN 5 HE22 GLN 5 21.256 -2.134 4.382
35 H TRP 6 H TRP 6 26.382 -0.250 1.955
36 HA TRP 6 HA TRP 6 28.439 1.617 2.259
37 HB2 TRP 6 HB2 TRP 6 28.755 -0.703 1.458
38 HB3 TRP 6 HB3 TRP 6 27.983 -0.272 -0.064
39 HD1 TRP 6 HD1 TRP 6 31.136 0.681 1.984
40 HE1 TRP 6 HE1 TRP 6 32.983 1.357 0.324
41 HE3 TRP 6 HE3 TRP 6 28.472 0.373 -2.358
42 HZ2 TRP 6 HZ2 TRP 6 33.268 1.710 -2.467
43 HZ3 TRP 6 HZ3 TRP 6 29.606 0.896 -4.479
44 HH2 TRP 6 HH2 TRP 6 31.958 1.549 -4.521
45 H LEU 7 H LEU 7 26.010 1.288 -0.320
46 HA LEU 7 HA LEU 7 26.956 3.446 -1.897
47 HB2 LEU 7 HB2 LEU 7 24.273 2.081 -1.718
48 HB3 LEU 7 HB3 LEU 7 24.592 3.382 -2.847
49 HG LEU 7 HG LEU 7 26.084 0.756 -2.794
50 HD11 LEU 7 HD11 LEU 7 23.636 1.652 -4.222
51 HD12 LEU 7 HD12 LEU 7 24.043 0.071 -3.553
52 HD13 LEU 7 HD13 LEU 7 24.774 0.603 -5.067
53 HD21 LEU 7 HD21 LEU 7 26.590 1.644 -5.207
54 HD22 LEU 7 HD22 LEU 7 27.556 2.187 -3.837
55 HD23 LEU 7 HD23 LEU 7 26.275 3.217 -4.476
56 H ALA 8 H ALA 8 24.567 3.196 0.698
57 HA ALA 8 HA ALA 8 23.523 5.802 0.541
58 HB1 ALA 8 HB1 ALA 8 22.175 4.885 2.029
59 HB2 ALA 8 HB2 ALA 8 23.452 5.040 3.235
60 HB3 ALA 8 HB3 ALA 8 23.299 3.554 2.299
61 H ASP 9 H ASP 9 26.508 4.583 1.856
62 HA ASP 9 HA ASP 9 27.050 6.972 3.405
63 HB2 ASP 9 HB2 ASP 9 27.815 4.421 3.760
64 HB3 ASP 9 HB3 ASP 9 29.206 5.005 2.853
65 H GLY 10 H GLY 10 26.864 6.800 0.276
66 HA2 GLY 10 HA2 GLY 10 27.721 8.381 -1.228
67 HA3 GLY 10 HA3 GLY 10 29.091 8.629 -0.158
68 H GLY 11 H GLY 11 28.391 5.326 -0.744
69 HA2 GLY 11 HA2 GLY 11 29.543 3.697 -1.871
70 HA3 GLY 11 HA3 GLY 11 29.588 4.845 -3.198
71 HA PRO 12 HA PRO 12 34.059 4.138 -2.645
72 HB2 PRO 12 HB2 PRO 12 34.020 6.414 -4.586
73 HB3 PRO 12 HB3 PRO 12 34.965 4.921 -4.635
74 HG2 PRO 12 HG2 PRO 12 32.829 5.240 -6.193
75 HG3 PRO 12 HG3 PRO 12 33.195 3.674 -5.448
76 HD2 PRO 12 HD2 PRO 12 31.093 5.659 -4.751
77 HD3 PRO 12 HD3 PRO 12 31.075 3.889 -4.612
78 H SER 13 H SER 13 32.397 7.271 -2.627
79 HA SER 13 HA SER 13 34.406 8.890 -1.604
80 HB2 SER 13 HB2 SER 13 31.439 9.079 -1.036
81 HB3 SER 13 HB3 SER 13 32.614 10.380 -0.842
82 HG SER 13 HG SER 13 31.518 10.536 -2.834
83 H SER 14 H SER 14 32.219 6.697 0.102
84 HA SER 14 HA SER 14 32.552 7.508 2.709
85 HB2 SER 14 HB2 SER 14 31.922 5.275 3.356
86 HB3 SER 14 HB3 SER 14 31.026 5.695 1.901
87 HG SER 14 HG SER 14 32.067 4.202 0.820
88 H GLY 15 H GLY 15 34.756 5.562 0.736
89 HA2 GLY 15 HA2 GLY 15 37.104 5.556 1.048
90 HA3 GLY 15 HA3 GLY 15 36.860 6.056 2.714
91 H ARG 16 H ARG 16 34.969 3.424 1.432
92 HA ARG 16 HA ARG 16 36.732 1.479 2.753
93 HB2 ARG 16 HB2 ARG 16 34.209 0.448 3.199
94 HB3 ARG 16 HB3 ARG 16 35.212 1.257 4.394
95 HG2 ARG 16 HG2 ARG 16 34.086 3.420 3.483
96 HG3 ARG 16 HG3 ARG 16 32.870 2.299 2.867
97 HD2 ARG 16 HD2 ARG 16 33.277 1.468 5.474
98 HD3 ARG 16 HD3 ARG 16 33.358 3.227 5.579
99 HE ARG 16 HE ARG 16 31.133 2.703 4.060
100 HH11 ARG 16 HH11 ARG 16 32.214 1.839 7.276
101 HH12 ARG 16 HH12 ARG 16 30.610 1.723 7.917
102 HH21 ARG 16 HH21 ARG 16 29.021 2.551 4.910
103 HH22 ARG 16 HH22 ARG 16 28.798 2.127 6.574
104 HA PRO 17 HA PRO 17 36.140 -0.983 -0.858
105 HB2 PRO 17 HB2 PRO 17 36.284 -3.506 0.112
106 HB3 PRO 17 HB3 PRO 17 37.691 -2.439 0.026
107 HG2 PRO 17 HG2 PRO 17 35.938 -3.076 2.368
108 HG3 PRO 17 HG3 PRO 17 37.706 -2.953 2.294
109 HD2 PRO 17 HD2 PRO 17 36.127 -0.958 3.242
110 HD3 PRO 17 HD3 PRO 17 37.677 -0.655 2.430
111 HA PRO 18 HA PRO 18 31.757 -1.777 -1.057
112 HB2 PRO 18 HB2 PRO 18 31.733 -3.059 -3.495
113 HB3 PRO 18 HB3 PRO 18 31.825 -1.302 -3.312
114 HG2 PRO 18 HG2 PRO 18 34.014 -3.276 -3.818
115 HG3 PRO 18 HG3 PRO 18 33.763 -1.671 -4.530
116 HD2 PRO 18 HD2 PRO 18 35.551 -2.100 -2.561
117 HD3 PRO 18 HD3 PRO 18 34.644 -0.578 -2.695
118 HA PRO 19 HA PRO 19 31.932 -5.904 0.815
119 HB2 PRO 19 HB2 PRO 19 28.993 -5.401 0.864
120 HB3 PRO 19 HB3 PRO 19 30.060 -5.920 2.173
121 HG2 PRO 19 HG2 PRO 19 29.142 -3.424 2.071
122 HG3 PRO 19 HG3 PRO 19 30.802 -3.765 2.596
123 HD2 PRO 19 HD2 PRO 19 29.820 -2.690 -0.012
124 HD3 PRO 19 HD3 PRO 19 31.284 -2.280 0.903
125 H SER 20 H SER 20 30.964 -7.992 0.362
126 HA SER 20 HA SER 20 30.634 -8.456 -2.439
127 HB2 SER 20 HB2 SER 20 30.451 -10.813 -1.826
128 HB3 SER 20 HB3 SER 20 31.769 -10.066 -0.925
129 HG SER 20 HG SER 20 30.576 -11.258 0.514
130 H GLY 21 H GLY 21 28.740 -10.376 -2.742
131 HA2 GLY 21 HA2 GLY 21 26.365 -8.937 -3.067
132 HA3 GLY 21 HA3 GLY 21 26.503 -10.687 -3.136
Start of MODEL 8
1 H1 GLY -1 H GLY -1 24.935 -9.581 -1.032
2 HA2 GLY -1 HA2 GLY -1 23.911 -9.876 1.186
3 HA3 GLY -1 HA3 GLY -1 25.386 -9.194 1.858
4 H ASP 1 H ASP 1 23.130 -8.048 2.665
5 HA ASP 1 HA ASP 1 22.258 -5.891 0.999
6 HB2 ASP 1 HB2 ASP 1 21.836 -6.461 3.936
7 HB3 ASP 1 HB3 ASP 1 21.096 -5.109 3.086
8 H ALA 2 H ALA 2 25.129 -6.294 2.635
9 HA ALA 2 HA ALA 2 25.567 -3.854 3.921
10 HB1 ALA 2 HB1 ALA 2 27.564 -5.621 2.509
11 HB2 ALA 2 HB2 ALA 2 27.078 -5.727 4.201
12 HB3 ALA 2 HB3 ALA 2 27.965 -4.317 3.626
13 H TYR 3 H TYR 3 25.711 -4.688 0.503
14 HA TYR 3 HA TYR 3 27.129 -2.464 -0.442
15 HB2 TYR 3 HB2 TYR 3 26.499 -4.540 -1.750
16 HB3 TYR 3 HB3 TYR 3 24.892 -3.844 -1.928
17 HD1 TYR 3 HD1 TYR 3 28.488 -3.153 -2.623
18 HD2 TYR 3 HD2 TYR 3 24.440 -2.366 -3.676
19 HE1 TYR 3 HE1 TYR 3 29.249 -1.899 -4.595
20 HE2 TYR 3 HE2 TYR 3 25.193 -1.111 -5.651
21 HH TYR 3 HH TYR 3 27.657 -1.292 -7.120
22 H ALA 4 H ALA 4 23.699 -2.874 0.311
23 HA ALA 4 HA ALA 4 22.729 -0.491 -0.801
24 HB1 ALA 4 HB1 ALA 4 20.785 -0.814 0.486
25 HB2 ALA 4 HB2 ALA 4 21.661 -1.689 1.742
26 HB3 ALA 4 HB3 ALA 4 21.397 -2.438 0.167
27 H GLN 5 H GLN 5 24.105 -1.180 2.393
28 HA GLN 5 HA GLN 5 23.765 1.466 3.407
29 HB2 GLN 5 HB2 GLN 5 24.732 -1.055 4.387
30 HB3 GLN 5 HB3 GLN 5 25.901 0.199 4.770
31 HG2 GLN 5 HG2 GLN 5 24.227 1.480 5.922
32 HG3 GLN 5 HG3 GLN 5 22.970 0.346 5.430
33 HE21 GLN 5 HE21 GLN 5 25.963 0.607 7.293
34 HE22 GLN 5 HE22 GLN 5 25.563 -0.622 8.440
35 H TRP 6 H TRP 6 26.332 -0.236 1.712
36 HA TRP 6 HA TRP 6 28.436 1.565 2.097
37 HB2 TRP 6 HB2 TRP 6 28.723 -0.680 1.115
38 HB3 TRP 6 HB3 TRP 6 27.859 -0.160 -0.327
39 HD1 TRP 6 HD1 TRP 6 31.059 0.903 1.609
40 HE1 TRP 6 HE1 TRP 6 32.823 1.616 -0.120
41 HE3 TRP 6 HE3 TRP 6 28.299 0.324 -2.654
42 HZ2 TRP 6 HZ2 TRP 6 33.018 1.893 -2.928
43 HZ3 TRP 6 HZ3 TRP 6 29.352 0.834 -4.818
44 HH2 TRP 6 HH2 TRP 6 31.668 1.602 -4.942
45 H LEU 7 H LEU 7 25.994 1.430 -0.497
46 HA LEU 7 HA LEU 7 26.910 3.707 -1.898
47 HB2 LEU 7 HB2 LEU 7 24.189 2.404 -1.786
48 HB3 LEU 7 HB3 LEU 7 24.592 3.710 -2.881
49 HG LEU 7 HG LEU 7 25.949 1.011 -2.860
50 HD11 LEU 7 HD11 LEU 7 23.840 0.504 -3.636
51 HD12 LEU 7 HD12 LEU 7 24.692 0.902 -5.128
52 HD13 LEU 7 HD13 LEU 7 23.619 2.086 -4.383
53 HD21 LEU 7 HD21 LEU 7 27.510 2.399 -3.832
54 HD22 LEU 7 HD22 LEU 7 26.291 3.492 -4.488
55 HD23 LEU 7 HD23 LEU 7 26.557 1.919 -5.236
56 H ALA 8 H ALA 8 24.546 3.275 0.699
57 HA ALA 8 HA ALA 8 23.535 5.908 0.722
58 HB1 ALA 8 HB1 ALA 8 23.251 5.075 3.305
59 HB2 ALA 8 HB2 ALA 8 23.363 3.548 2.428
60 HB3 ALA 8 HB3 ALA 8 22.133 4.733 1.987
61 H ASP 9 H ASP 9 26.424 4.484 2.102
62 HA ASP 9 HA ASP 9 26.976 6.714 3.839
63 HB2 ASP 9 HB2 ASP 9 27.740 4.162 3.972
64 HB3 ASP 9 HB3 ASP 9 29.126 4.792 3.088
65 H GLY 10 H GLY 10 27.134 6.435 0.541
66 HA2 GLY 10 HA2 GLY 10 27.911 8.453 -0.610
67 HA3 GLY 10 HA3 GLY 10 29.342 8.388 0.401
68 H GLY 11 H GLY 11 28.699 5.233 -0.424
69 HA2 GLY 11 HA2 GLY 11 29.605 3.778 -1.949
70 HA3 GLY 11 HA3 GLY 11 29.545 5.099 -3.105
71 HA PRO 12 HA PRO 12 34.030 4.197 -2.996
72 HB2 PRO 12 HB2 PRO 12 33.879 6.517 -4.878
73 HB3 PRO 12 HB3 PRO 12 34.769 4.999 -5.044
74 HG2 PRO 12 HG2 PRO 12 32.515 5.408 -6.395
75 HG3 PRO 12 HG3 PRO 12 32.887 3.818 -5.706
76 HD2 PRO 12 HD2 PRO 12 30.945 5.878 -4.782
77 HD3 PRO 12 HD3 PRO 12 30.852 4.107 -4.694
78 H SER 13 H SER 13 32.525 7.426 -2.832
79 HA SER 13 HA SER 13 34.762 8.802 -1.820
80 HB2 SER 13 HB2 SER 13 33.302 10.623 -1.420
81 HB3 SER 13 HB3 SER 13 32.642 9.796 -2.829
82 HG SER 13 HG SER 13 31.598 10.084 -0.290
83 H SER 14 H SER 14 32.330 6.853 -0.203
84 HA SER 14 HA SER 14 32.557 7.757 2.406
85 HB2 SER 14 HB2 SER 14 31.593 5.711 3.083
86 HB3 SER 14 HB3 SER 14 30.964 5.986 1.463
87 HG SER 14 HG SER 14 32.242 4.407 0.686
88 H GLY 15 H GLY 15 34.745 5.707 0.569
89 HA2 GLY 15 HA2 GLY 15 37.028 5.418 1.032
90 HA3 GLY 15 HA3 GLY 15 36.753 6.011 2.663
91 H ARG 16 H ARG 16 34.616 3.584 1.448
92 HA ARG 16 HA ARG 16 36.006 1.532 3.037
93 HB2 ARG 16 HB2 ARG 16 33.911 2.404 4.089
94 HB3 ARG 16 HB3 ARG 16 33.018 1.857 2.679
95 HG2 ARG 16 HG2 ARG 16 33.444 -0.417 3.179
96 HG3 ARG 16 HG3 ARG 16 34.638 0.009 4.408
97 HD2 ARG 16 HD2 ARG 16 33.042 0.015 5.949
98 HD3 ARG 16 HD3 ARG 16 32.222 1.316 5.087
99 HE ARG 16 HE ARG 16 30.721 -0.222 4.239
100 HH11 ARG 16 HH11 ARG 16 33.370 -1.924 5.776
101 HH12 ARG 16 HH12 ARG 16 32.584 -3.463 5.700
102 HH21 ARG 16 HH21 ARG 16 29.693 -2.253 4.144
103 HH22 ARG 16 HH22 ARG 16 30.498 -3.652 4.773
104 HA PRO 17 HA PRO 17 35.884 -0.827 -0.728
105 HB2 PRO 17 HB2 PRO 17 36.150 -3.351 0.209
106 HB3 PRO 17 HB3 PRO 17 37.484 -2.193 0.195
107 HG2 PRO 17 HG2 PRO 17 35.721 -3.028 2.456
108 HG3 PRO 17 HG3 PRO 17 37.464 -2.706 2.450
109 HD2 PRO 17 HD2 PRO 17 35.591 -0.932 3.351
110 HD3 PRO 17 HD3 PRO 17 37.173 -0.453 2.705
111 HA PRO 18 HA PRO 18 31.560 -1.838 -1.163
112 HB2 PRO 18 HB2 PRO 18 31.748 -3.089 -3.621
113 HB3 PRO 18 HB3 PRO 18 31.681 -1.335 -3.404
114 HG2 PRO 18 HG2 PRO 18 34.049 -3.105 -3.844
115 HG3 PRO 18 HG3 PRO 18 33.701 -1.505 -4.524
116 HD2 PRO 18 HD2 PRO 18 35.427 -1.840 -2.492
117 HD3 PRO 18 HD3 PRO 18 34.391 -0.402 -2.612
118 HA PRO 19 HA PRO 19 31.783 -5.947 0.720
119 HB2 PRO 19 HB2 PRO 19 28.834 -5.608 0.354
120 HB3 PRO 19 HB3 PRO 19 29.730 -6.122 1.788
121 HG2 PRO 19 HG2 PRO 19 28.735 -3.664 1.628
122 HG3 PRO 19 HG3 PRO 19 30.328 -3.951 2.350
123 HD2 PRO 19 HD2 PRO 19 29.634 -2.821 -0.321
124 HD3 PRO 19 HD3 PRO 19 30.974 -2.411 0.767
125 H SER 20 H SER 20 31.498 -8.049 0.009
126 HA SER 20 HA SER 20 30.660 -8.333 -2.796
127 HB2 SER 20 HB2 SER 20 32.601 -9.898 -1.097
128 HB3 SER 20 HB3 SER 20 31.997 -10.511 -2.635
129 HG SER 20 HG SER 20 33.680 -8.333 -2.118
130 H GLY 21 H GLY 21 28.404 -8.487 -2.227
131 HA2 GLY 21 HA2 GLY 21 26.634 -10.053 -2.266
132 HA3 GLY 21 HA3 GLY 21 27.667 -11.209 -1.439
Start of MODEL 9
1 H1 GLY -1 H GLY -1 24.933 -9.007 -1.473
2 HA2 GLY -1 HA2 GLY -1 23.921 -9.684 0.678
3 HA3 GLY -1 HA3 GLY -1 25.387 -9.086 1.442
4 H ASP 1 H ASP 1 23.096 -8.120 2.406
5 HA ASP 1 HA ASP 1 22.083 -5.809 1.119
6 HB2 ASP 1 HB2 ASP 1 22.001 -6.688 4.008
7 HB3 ASP 1 HB3 ASP 1 21.159 -5.266 3.402
8 H ALA 2 H ALA 2 25.026 -6.329 2.790
9 HA ALA 2 HA ALA 2 25.507 -3.892 4.035
10 HB1 ALA 2 HB1 ALA 2 27.478 -5.692 2.629
11 HB2 ALA 2 HB2 ALA 2 26.993 -5.780 4.323
12 HB3 ALA 2 HB3 ALA 2 27.902 -4.387 3.738
13 H TYR 3 H TYR 3 25.709 -4.738 0.616
14 HA TYR 3 HA TYR 3 27.137 -2.510 -0.301
15 HB2 TYR 3 HB2 TYR 3 26.504 -4.617 -1.598
16 HB3 TYR 3 HB3 TYR 3 24.941 -3.853 -1.868
17 HD1 TYR 3 HD1 TYR 3 28.598 -3.339 -2.378
18 HD2 TYR 3 HD2 TYR 3 24.653 -2.361 -3.643
19 HE1 TYR 3 HE1 TYR 3 29.521 -2.143 -4.317
20 HE2 TYR 3 HE2 TYR 3 25.567 -1.159 -5.582
21 HH TYR 3 HH TYR 3 28.003 0.040 -6.025
22 H ALA 4 H ALA 4 23.701 -2.910 0.406
23 HA ALA 4 HA ALA 4 22.737 -0.554 -0.766
24 HB1 ALA 4 HB1 ALA 4 21.709 -1.867 1.750
25 HB2 ALA 4 HB2 ALA 4 21.307 -2.378 0.111
26 HB3 ALA 4 HB3 ALA 4 20.818 -0.783 0.682
27 H GLN 5 H GLN 5 24.030 -1.159 2.488
28 HA GLN 5 HA GLN 5 23.700 1.529 3.391
29 HB2 GLN 5 HB2 GLN 5 25.218 -0.853 4.421
30 HB3 GLN 5 HB3 GLN 5 25.399 0.726 5.173
31 HG2 GLN 5 HG2 GLN 5 22.806 0.673 5.292
32 HG3 GLN 5 HG3 GLN 5 23.016 -1.064 5.083
33 HE21 GLN 5 HE21 GLN 5 22.278 0.926 7.365
34 HE22 GLN 5 HE22 GLN 5 23.171 0.304 8.707
35 H TRP 6 H TRP 6 26.277 -0.268 1.822
36 HA TRP 6 HA TRP 6 28.408 1.501 2.221
37 HB2 TRP 6 HB2 TRP 6 28.688 -0.769 1.306
38 HB3 TRP 6 HB3 TRP 6 27.858 -0.282 -0.168
39 HD1 TRP 6 HD1 TRP 6 31.064 0.706 1.790
40 HE1 TRP 6 HE1 TRP 6 32.859 1.377 0.073
41 HE3 TRP 6 HE3 TRP 6 28.308 0.255 -2.490
42 HZ2 TRP 6 HZ2 TRP 6 33.075 1.675 -2.733
43 HZ3 TRP 6 HZ3 TRP 6 29.386 0.752 -4.644
44 HH2 TRP 6 HH2 TRP 6 31.724 1.444 -4.752
45 H LEU 7 H LEU 7 25.974 1.378 -0.376
46 HA LEU 7 HA LEU 7 26.975 3.588 -1.837
47 HB2 LEU 7 HB2 LEU 7 24.217 2.371 -1.709
48 HB3 LEU 7 HB3 LEU 7 24.666 3.634 -2.834
49 HG LEU 7 HG LEU 7 25.962 0.909 -2.734
50 HD11 LEU 7 HD11 LEU 7 24.694 0.660 -4.943
51 HD12 LEU 7 HD12 LEU 7 23.678 1.975 -4.353
52 HD13 LEU 7 HD13 LEU 7 23.788 0.469 -3.442
53 HD21 LEU 7 HD21 LEU 7 27.524 2.290 -3.748
54 HD22 LEU 7 HD22 LEU 7 26.295 3.313 -4.490
55 HD23 LEU 7 HD23 LEU 7 26.597 1.695 -5.124
56 H ALA 8 H ALA 8 24.603 3.275 0.763
57 HA ALA 8 HA ALA 8 23.664 5.938 0.735
58 HB1 ALA 8 HB1 ALA 8 23.622 4.768 3.374
59 HB2 ALA 8 HB2 ALA 8 23.068 3.627 2.148
60 HB3 ALA 8 HB3 ALA 8 22.290 5.201 2.304
61 H ASP 9 H ASP 9 26.531 4.468 2.074
62 HA ASP 9 HA ASP 9 27.158 6.676 3.819
63 HB2 ASP 9 HB2 ASP 9 27.876 4.114 3.925
64 HB3 ASP 9 HB3 ASP 9 29.242 4.710 2.988
65 H GLY 10 H GLY 10 27.162 6.488 0.542
66 HA2 GLY 10 HA2 GLY 10 27.955 8.421 -0.676
67 HA3 GLY 10 HA3 GLY 10 29.388 8.407 0.336
68 H GLY 11 H GLY 11 28.452 5.264 -0.680
69 HA2 GLY 11 HA2 GLY 11 29.438 3.769 -2.110
70 HA3 GLY 11 HA3 GLY 11 29.462 5.098 -3.258
71 HA PRO 12 HA PRO 12 33.903 3.990 -3.016
72 HB2 PRO 12 HB2 PRO 12 33.894 6.275 -4.944
73 HB3 PRO 12 HB3 PRO 12 34.728 4.722 -5.059
74 HG2 PRO 12 HG2 PRO 12 32.532 5.186 -6.481
75 HG3 PRO 12 HG3 PRO 12 32.820 3.600 -5.744
76 HD2 PRO 12 HD2 PRO 12 30.941 5.761 -4.919
77 HD3 PRO 12 HD3 PRO 12 30.766 3.999 -4.800
78 H SER 13 H SER 13 32.482 7.248 -2.909
79 HA SER 13 HA SER 13 34.751 8.566 -1.853
80 HB2 SER 13 HB2 SER 13 32.751 9.646 -2.981
81 HB3 SER 13 HB3 SER 13 31.883 9.428 -1.461
82 HG SER 13 HG SER 13 34.054 11.103 -2.055
83 H SER 14 H SER 14 32.232 6.674 -0.332
84 HA SER 14 HA SER 14 32.197 7.595 2.248
85 HB2 SER 14 HB2 SER 14 31.488 5.398 2.910
86 HB3 SER 14 HB3 SER 14 30.826 5.712 1.311
87 HG SER 14 HG SER 14 31.699 3.802 0.975
88 H GLY 15 H GLY 15 34.652 5.535 0.735
89 HA2 GLY 15 HA2 GLY 15 36.942 5.623 1.392
90 HA3 GLY 15 HA3 GLY 15 36.432 6.127 2.996
91 H ARG 16 H ARG 16 34.777 3.475 1.479
92 HA ARG 16 HA ARG 16 36.385 1.530 2.965
93 HB2 ARG 16 HB2 ARG 16 33.941 0.470 3.386
94 HB3 ARG 16 HB3 ARG 16 34.754 1.515 4.541
95 HG2 ARG 16 HG2 ARG 16 33.423 3.300 2.920
96 HG3 ARG 16 HG3 ARG 16 32.307 1.942 3.030
97 HD2 ARG 16 HD2 ARG 16 33.398 2.451 5.615
98 HD3 ARG 16 HD3 ARG 16 32.814 3.969 4.939
99 HE ARG 16 HE ARG 16 30.886 1.933 4.576
100 HH11 ARG 16 HH11 ARG 16 32.253 3.984 7.061
101 HH12 ARG 16 HH12 ARG 16 30.827 3.954 8.042
102 HH21 ARG 16 HH21 ARG 16 29.009 1.897 5.873
103 HH22 ARG 16 HH22 ARG 16 28.985 2.770 7.369
104 HA PRO 17 HA PRO 17 35.935 -0.905 -0.690
105 HB2 PRO 17 HB2 PRO 17 36.146 -3.423 0.259
106 HB3 PRO 17 HB3 PRO 17 37.514 -2.303 0.237
107 HG2 PRO 17 HG2 PRO 17 35.700 -3.029 2.508
108 HG3 PRO 17 HG3 PRO 17 37.464 -2.856 2.498
109 HD2 PRO 17 HD2 PRO 17 35.796 -0.915 3.408
110 HD3 PRO 17 HD3 PRO 17 37.368 -0.566 2.660
111 HA PRO 18 HA PRO 18 31.589 -1.864 -1.007
112 HB2 PRO 18 HB2 PRO 18 31.673 -3.127 -3.452
113 HB3 PRO 18 HB3 PRO 18 31.693 -1.369 -3.257
114 HG2 PRO 18 HG2 PRO 18 33.962 -3.255 -3.737
115 HG3 PRO 18 HG3 PRO 18 33.673 -1.647 -4.427
116 HD2 PRO 18 HD2 PRO 18 35.430 -2.066 -2.417
117 HD3 PRO 18 HD3 PRO 18 34.498 -0.563 -2.566
118 HA PRO 19 HA PRO 19 31.724 -5.958 0.905
119 HB2 PRO 19 HB2 PRO 19 28.793 -5.619 0.401
120 HB3 PRO 19 HB3 PRO 19 29.620 -6.139 1.875
121 HG2 PRO 19 HG2 PRO 19 28.649 -3.674 1.672
122 HG3 PRO 19 HG3 PRO 19 30.206 -3.972 2.465
123 HD2 PRO 19 HD2 PRO 19 29.639 -2.821 -0.224
124 HD3 PRO 19 HD3 PRO 19 30.946 -2.447 0.915
125 H SER 20 H SER 20 31.646 -8.028 0.131
126 HA SER 20 HA SER 20 31.119 -8.342 -2.710
127 HB2 SER 20 HB2 SER 20 32.251 -10.292 -0.685
128 HB3 SER 20 HB3 SER 20 32.152 -10.571 -2.423
129 HG SER 20 HG SER 20 33.712 -9.118 -2.767
130 H GLY 21 H GLY 21 28.780 -8.038 -2.464
131 HA2 GLY 21 HA2 GLY 21 26.723 -9.072 -2.746
132 HA3 GLY 21 HA3 GLY 21 27.445 -10.591 -2.238
Start of MODEL 10
1 H1 GLY -1 H GLY -1 25.685 -8.128 0.448
2 HA2 GLY -1 HA2 GLY -1 24.230 -7.638 -1.916
3 HA3 GLY -1 HA3 GLY -1 23.301 -8.735 -0.907
4 H ASP 1 H ASP 1 22.818 -8.012 1.317
5 HA ASP 1 HA ASP 1 21.603 -5.499 1.371
6 HB2 ASP 1 HB2 ASP 1 22.444 -7.345 3.609
7 HB3 ASP 1 HB3 ASP 1 21.541 -5.860 3.892
8 H ALA 2 H ALA 2 24.817 -6.481 2.469
9 HA ALA 2 HA ALA 2 25.533 -4.176 3.882
10 HB1 ALA 2 HB1 ALA 2 26.857 -6.213 3.973
11 HB2 ALA 2 HB2 ALA 2 27.858 -4.846 3.486
12 HB3 ALA 2 HB3 ALA 2 27.315 -6.012 2.281
13 H TYR 3 H TYR 3 25.629 -4.859 0.415
14 HA TYR 3 HA TYR 3 27.138 -2.638 -0.405
15 HB2 TYR 3 HB2 TYR 3 26.445 -4.672 -1.789
16 HB3 TYR 3 HB3 TYR 3 24.901 -3.858 -2.017
17 HD1 TYR 3 HD1 TYR 3 28.562 -3.445 -2.552
18 HD2 TYR 3 HD2 TYR 3 24.642 -2.264 -3.718
19 HE1 TYR 3 HE1 TYR 3 29.504 -2.203 -4.451
20 HE2 TYR 3 HE2 TYR 3 25.578 -1.019 -5.619
21 HH TYR 3 HH TYR 3 28.111 -1.389 -6.998
22 H ALA 4 H ALA 4 23.690 -2.995 0.270
23 HA ALA 4 HA ALA 4 22.774 -0.576 -0.793
24 HB1 ALA 4 HB1 ALA 4 20.851 -0.828 0.664
25 HB2 ALA 4 HB2 ALA 4 21.719 -2.009 1.644
26 HB3 ALA 4 HB3 ALA 4 21.296 -2.390 -0.024
27 H GLN 5 H GLN 5 23.992 -1.326 2.470
28 HA GLN 5 HA GLN 5 23.691 1.318 3.476
29 HB2 GLN 5 HB2 GLN 5 25.244 -1.091 4.392
30 HB3 GLN 5 HB3 GLN 5 25.394 0.454 5.217
31 HG2 GLN 5 HG2 GLN 5 23.581 0.011 6.392
32 HG3 GLN 5 HG3 GLN 5 22.633 -0.086 4.909
33 HE21 GLN 5 HE21 GLN 5 24.534 -1.922 7.217
34 HE22 GLN 5 HE22 GLN 5 23.852 -3.463 6.836
35 H TRP 6 H TRP 6 26.285 -0.409 1.852
36 HA TRP 6 HA TRP 6 28.392 1.379 2.306
37 HB2 TRP 6 HB2 TRP 6 28.716 -0.867 1.366
38 HB3 TRP 6 HB3 TRP 6 27.877 -0.385 -0.104
39 HD1 TRP 6 HD1 TRP 6 31.061 0.660 1.860
40 HE1 TRP 6 HE1 TRP 6 32.843 1.369 0.148
41 HE3 TRP 6 HE3 TRP 6 28.323 0.152 -2.426
42 HZ2 TRP 6 HZ2 TRP 6 33.061 1.671 -2.653
43 HZ3 TRP 6 HZ3 TRP 6 29.397 0.672 -4.578
44 HH2 TRP 6 HH2 TRP 6 31.722 1.415 -4.678
45 H LEU 7 H LEU 7 25.990 1.263 -0.321
46 HA LEU 7 HA LEU 7 26.978 3.499 -1.744
47 HB2 LEU 7 HB2 LEU 7 24.230 2.256 -1.646
48 HB3 LEU 7 HB3 LEU 7 24.666 3.547 -2.746
49 HG LEU 7 HG LEU 7 25.979 0.828 -2.696
50 HD11 LEU 7 HD11 LEU 7 23.610 1.884 -4.131
51 HD12 LEU 7 HD12 LEU 7 23.948 0.258 -3.539
52 HD13 LEU 7 HD13 LEU 7 24.712 0.833 -5.020
53 HD21 LEU 7 HD21 LEU 7 27.560 2.200 -3.666
54 HD22 LEU 7 HD22 LEU 7 26.354 3.286 -4.356
55 HD23 LEU 7 HD23 LEU 7 26.622 1.697 -5.070
56 H ALA 8 H ALA 8 24.644 3.154 0.879
57 HA ALA 8 HA ALA 8 23.622 5.777 0.861
58 HB1 ALA 8 HB1 ALA 8 23.660 4.761 3.522
59 HB2 ALA 8 HB2 ALA 8 23.276 3.450 2.407
60 HB3 ALA 8 HB3 ALA 8 22.304 4.920 2.407
61 H ASP 9 H ASP 9 26.578 4.434 2.167
62 HA ASP 9 HA ASP 9 27.165 6.723 3.818
63 HB2 ASP 9 HB2 ASP 9 27.971 4.177 3.983
64 HB3 ASP 9 HB3 ASP 9 29.319 4.819 3.050
65 H GLY 10 H GLY 10 27.153 6.401 0.543
66 HA2 GLY 10 HA2 GLY 10 27.872 8.336 -0.736
67 HA3 GLY 10 HA3 GLY 10 29.321 8.378 0.251
68 H GLY 11 H GLY 11 28.685 5.165 -0.451
69 HA2 GLY 11 HA2 GLY 11 29.620 3.657 -1.904
70 HA3 GLY 11 HA3 GLY 11 29.546 4.928 -3.114
71 HA PRO 12 HA PRO 12 34.042 4.064 -2.981
72 HB2 PRO 12 HB2 PRO 12 33.868 6.294 -4.964
73 HB3 PRO 12 HB3 PRO 12 34.766 4.776 -5.067
74 HG2 PRO 12 HG2 PRO 12 32.503 5.114 -6.425
75 HG3 PRO 12 HG3 PRO 12 32.890 3.557 -5.671
76 HD2 PRO 12 HD2 PRO 12 30.935 5.638 -4.828
77 HD3 PRO 12 HD3 PRO 12 30.859 3.872 -4.660
78 H SER 13 H SER 13 32.514 7.284 -2.952
79 HA SER 13 HA SER 13 34.724 8.753 -2.061
80 HB2 SER 13 HB2 SER 13 33.234 10.535 -1.664
81 HB3 SER 13 HB3 SER 13 32.490 9.619 -2.974
82 HG SER 13 HG SER 13 30.836 9.318 -1.730
83 H SER 14 H SER 14 32.432 6.791 -0.262
84 HA SER 14 HA SER 14 32.794 7.771 2.304
85 HB2 SER 14 HB2 SER 14 31.906 5.721 3.087
86 HB3 SER 14 HB3 SER 14 31.160 5.978 1.516
87 HG SER 14 HG SER 14 32.386 4.397 0.663
88 H GLY 15 H GLY 15 34.931 5.748 0.388
89 HA2 GLY 15 HA2 GLY 15 37.229 5.475 0.757
90 HA3 GLY 15 HA3 GLY 15 37.020 6.096 2.388
91 H ARG 16 H ARG 16 34.873 3.618 1.279
92 HA ARG 16 HA ARG 16 36.359 1.600 2.823
93 HB2 ARG 16 HB2 ARG 16 34.492 2.268 4.170
94 HB3 ARG 16 HB3 ARG 16 33.397 2.212 2.799
95 HG2 ARG 16 HG2 ARG 16 32.833 0.157 3.375
96 HG3 ARG 16 HG3 ARG 16 34.484 -0.372 3.057
97 HD2 ARG 16 HD2 ARG 16 33.943 -1.012 5.289
98 HD3 ARG 16 HD3 ARG 16 35.073 0.339 5.382
99 HE ARG 16 HE ARG 16 32.332 1.169 5.481
100 HH11 ARG 16 HH11 ARG 16 34.983 -0.058 7.411
101 HH12 ARG 16 HH12 ARG 16 34.379 0.612 8.887
102 HH21 ARG 16 HH21 ARG 16 31.542 2.050 7.427
103 HH22 ARG 16 HH22 ARG 16 32.425 1.810 8.898
104 HA PRO 17 HA PRO 17 36.003 -0.782 -0.917
105 HB2 PRO 17 HB2 PRO 17 36.344 -3.300 0.042
106 HB3 PRO 17 HB3 PRO 17 37.670 -2.143 -0.121
107 HG2 PRO 17 HG2 PRO 17 36.116 -2.915 2.309
108 HG3 PRO 17 HG3 PRO 17 37.853 -2.613 2.137
109 HD2 PRO 17 HD2 PRO 17 36.116 -0.800 3.178
110 HD3 PRO 17 HD3 PRO 17 37.603 -0.340 2.326
111 HA PRO 18 HA PRO 18 31.700 -1.853 -1.150
112 HB2 PRO 18 HB2 PRO 18 31.838 -3.417 -3.436
113 HB3 PRO 18 HB3 PRO 18 31.749 -1.652 -3.436
114 HG2 PRO 18 HG2 PRO 18 34.131 -3.434 -3.717
115 HG3 PRO 18 HG3 PRO 18 33.746 -1.928 -4.571
116 HD2 PRO 18 HD2 PRO 18 35.526 -1.993 -2.565
117 HD3 PRO 18 HD3 PRO 18 34.449 -0.601 -2.807
118 HA PRO 19 HA PRO 19 31.850 -5.732 1.165
119 HB2 PRO 19 HB2 PRO 19 28.903 -5.442 0.818
120 HB3 PRO 19 HB3 PRO 19 29.831 -5.728 2.293
121 HG2 PRO 19 HG2 PRO 19 28.789 -3.334 1.778
122 HG3 PRO 19 HG3 PRO 19 30.385 -3.493 2.533
123 HD2 PRO 19 HD2 PRO 19 29.682 -2.782 -0.278
124 HD3 PRO 19 HD3 PRO 19 31.003 -2.186 0.746
125 H SER 20 H SER 20 31.329 -7.919 0.787
126 HA SER 20 HA SER 20 30.495 -8.513 -1.976
127 HB2 SER 20 HB2 SER 20 32.385 -9.988 -0.131
128 HB3 SER 20 HB3 SER 20 31.791 -10.661 -1.649
129 HG SER 20 HG SER 20 33.575 -8.557 -1.202
130 H GLY 21 H GLY 21 28.252 -8.476 -1.281
131 HA2 GLY 21 HA2 GLY 21 27.308 -11.079 -0.558
132 HA3 GLY 21 HA3 GLY 21 27.095 -9.929 0.753
Start of MODEL 11
1 H1 GLY -1 H GLY -1 25.085 -9.777 -0.867
2 HA2 GLY -1 HA2 GLY -1 23.992 -9.924 1.279
3 HA3 GLY -1 HA3 GLY -1 25.416 -9.184 1.998
4 H ASP 1 H ASP 1 23.106 -8.082 2.686
5 HA ASP 1 HA ASP 1 22.236 -5.997 0.928
6 HB2 ASP 1 HB2 ASP 1 20.826 -7.070 2.746
7 HB3 ASP 1 HB3 ASP 1 21.750 -6.120 3.908
8 H ALA 2 H ALA 2 25.046 -6.277 2.716
9 HA ALA 2 HA ALA 2 25.411 -3.799 3.918
10 HB1 ALA 2 HB1 ALA 2 27.459 -5.560 2.574
11 HB2 ALA 2 HB2 ALA 2 26.980 -5.595 4.272
12 HB3 ALA 2 HB3 ALA 2 27.834 -4.195 3.625
13 H TYR 3 H TYR 3 25.620 -4.694 0.522
14 HA TYR 3 HA TYR 3 26.987 -2.460 -0.465
15 HB2 TYR 3 HB2 TYR 3 26.377 -4.585 -1.721
16 HB3 TYR 3 HB3 TYR 3 24.771 -3.895 -1.931
17 HD1 TYR 3 HD1 TYR 3 28.358 -3.395 -2.716
18 HD2 TYR 3 HD2 TYR 3 24.350 -2.282 -3.612
19 HE1 TYR 3 HE1 TYR 3 29.143 -2.189 -4.709
20 HE2 TYR 3 HE2 TYR 3 25.126 -1.076 -5.608
21 HH TYR 3 HH TYR 3 27.792 0.035 -6.166
22 H ALA 4 H ALA 4 23.561 -2.926 0.284
23 HA ALA 4 HA ALA 4 22.523 -0.608 -0.881
24 HB1 ALA 4 HB1 ALA 4 20.596 -0.970 0.386
25 HB2 ALA 4 HB2 ALA 4 21.494 -1.684 1.725
26 HB3 ALA 4 HB3 ALA 4 21.292 -2.581 0.220
27 H GLN 5 H GLN 5 23.895 -1.133 2.354
28 HA GLN 5 HA GLN 5 23.532 1.586 3.183
29 HB2 GLN 5 HB2 GLN 5 25.080 -0.735 4.323
30 HB3 GLN 5 HB3 GLN 5 25.121 0.863 5.054
31 HG2 GLN 5 HG2 GLN 5 22.519 -0.514 4.526
32 HG3 GLN 5 HG3 GLN 5 23.470 -0.888 5.963
33 HE21 GLN 5 HE21 GLN 5 22.019 -0.058 7.420
34 HE22 GLN 5 HE22 GLN 5 21.671 1.630 7.555
35 H TRP 6 H TRP 6 26.089 -0.251 1.648
36 HA TRP 6 HA TRP 6 28.264 1.448 2.058
37 HB2 TRP 6 HB2 TRP 6 28.417 -0.822 1.068
38 HB3 TRP 6 HB3 TRP 6 27.662 -0.215 -0.402
39 HD1 TRP 6 HD1 TRP 6 30.838 0.561 1.701
40 HE1 TRP 6 HE1 TRP 6 32.729 1.175 0.070
41 HE3 TRP 6 HE3 TRP 6 28.241 0.293 -2.692
42 HZ2 TRP 6 HZ2 TRP 6 33.074 1.501 -2.717
43 HZ3 TRP 6 HZ3 TRP 6 29.428 0.770 -4.794
44 HH2 TRP 6 HH2 TRP 6 31.800 1.362 -4.795
45 H LEU 7 H LEU 7 25.843 1.441 -0.554
46 HA LEU 7 HA LEU 7 26.893 3.699 -1.917
47 HB2 LEU 7 HB2 LEU 7 24.135 2.472 -1.927
48 HB3 LEU 7 HB3 LEU 7 24.629 3.765 -3.000
49 HG LEU 7 HG LEU 7 25.905 1.029 -2.927
50 HD11 LEU 7 HD11 LEU 7 24.717 1.024 -5.273
51 HD12 LEU 7 HD12 LEU 7 23.616 2.139 -4.466
52 HD13 LEU 7 HD13 LEU 7 23.863 0.519 -3.816
53 HD21 LEU 7 HD21 LEU 7 26.340 3.483 -4.585
54 HD22 LEU 7 HD22 LEU 7 26.654 1.886 -5.260
55 HD23 LEU 7 HD23 LEU 7 27.525 2.422 -3.825
56 H ALA 8 H ALA 8 24.446 3.284 0.598
57 HA ALA 8 HA ALA 8 23.448 5.918 0.619
58 HB1 ALA 8 HB1 ALA 8 23.150 3.537 2.205
59 HB2 ALA 8 HB2 ALA 8 22.025 4.869 1.944
60 HB3 ALA 8 HB3 ALA 8 23.229 4.970 3.228
61 H ASP 9 H ASP 9 26.376 4.548 1.917
62 HA ASP 9 HA ASP 9 26.883 6.813 3.664
63 HB2 ASP 9 HB2 ASP 9 27.540 4.264 3.980
64 HB3 ASP 9 HB3 ASP 9 28.964 4.754 3.067
65 H GLY 10 H GLY 10 26.800 6.946 0.568
66 HA2 GLY 10 HA2 GLY 10 27.793 8.625 -0.742
67 HA3 GLY 10 HA3 GLY 10 29.169 8.636 0.348
68 H GLY 11 H GLY 11 28.435 5.442 -0.413
69 HA2 GLY 11 HA2 GLY 11 29.453 3.883 -1.753
70 HA3 GLY 11 HA3 GLY 11 29.478 5.131 -2.988
71 HA PRO 12 HA PRO 12 33.940 4.179 -2.606
72 HB2 PRO 12 HB2 PRO 12 33.910 6.414 -4.593
73 HB3 PRO 12 HB3 PRO 12 34.792 4.884 -4.648
74 HG2 PRO 12 HG2 PRO 12 32.613 5.248 -6.127
75 HG3 PRO 12 HG3 PRO 12 32.931 3.689 -5.346
76 HD2 PRO 12 HD2 PRO 12 30.970 5.810 -4.619
77 HD3 PRO 12 HD3 PRO 12 30.852 4.046 -4.451
78 H SER 13 H SER 13 32.381 7.361 -2.518
79 HA SER 13 HA SER 13 34.485 8.952 -1.666
80 HB2 SER 13 HB2 SER 13 31.574 9.161 -0.861
81 HB3 SER 13 HB3 SER 13 32.772 10.449 -0.719
82 HG SER 13 HG SER 13 31.589 10.703 -2.621
83 H SER 14 H SER 14 32.406 6.822 0.242
84 HA SER 14 HA SER 14 33.061 7.643 2.804
85 HB2 SER 14 HB2 SER 14 32.264 5.515 3.546
86 HB3 SER 14 HB3 SER 14 31.305 5.958 2.139
87 HG SER 14 HG SER 14 32.324 4.451 0.952
88 H GLY 15 H GLY 15 34.910 5.649 0.574
89 HA2 GLY 15 HA2 GLY 15 37.248 5.371 0.677
90 HA3 GLY 15 HA3 GLY 15 37.206 5.831 2.372
91 H ARG 16 H ARG 16 34.922 3.480 1.231
92 HA ARG 16 HA ARG 16 36.527 1.325 2.433
93 HB2 ARG 16 HB2 ARG 16 34.840 1.807 4.033
94 HB3 ARG 16 HB3 ARG 16 33.605 1.985 2.798
95 HG2 ARG 16 HG2 ARG 16 33.043 -0.147 2.969
96 HG3 ARG 16 HG3 ARG 16 34.707 -0.667 2.717
97 HD2 ARG 16 HD2 ARG 16 34.693 -1.365 4.833
98 HD3 ARG 16 HD3 ARG 16 34.702 0.335 5.298
99 HE ARG 16 HE ARG 16 32.112 -0.911 4.799
100 HH11 ARG 16 HH11 ARG 16 34.453 0.224 7.150
101 HH12 ARG 16 HH12 ARG 16 33.302 0.292 8.440
102 HH21 ARG 16 HH21 ARG 16 30.606 -0.820 6.507
103 HH22 ARG 16 HH22 ARG 16 31.122 -0.301 8.078
104 HA PRO 17 HA PRO 17 35.765 -0.722 -1.444
105 HB2 PRO 17 HB2 PRO 17 36.187 -3.313 -0.740
106 HB3 PRO 17 HB3 PRO 17 37.495 -2.147 -0.960
107 HG2 PRO 17 HG2 PRO 17 36.233 -3.130 1.559
108 HG3 PRO 17 HG3 PRO 17 37.937 -2.787 1.217
109 HD2 PRO 17 HD2 PRO 17 36.307 -1.099 2.598
110 HD3 PRO 17 HD3 PRO 17 37.701 -0.549 1.647
111 HA PRO 18 HA PRO 18 31.486 -1.859 -1.386
112 HB2 PRO 18 HB2 PRO 18 31.442 -3.422 -3.673
113 HB3 PRO 18 HB3 PRO 18 31.385 -1.655 -3.675
114 HG2 PRO 18 HG2 PRO 18 33.719 -3.478 -4.094
115 HG3 PRO 18 HG3 PRO 18 33.292 -1.984 -4.952
116 HD2 PRO 18 HD2 PRO 18 35.202 -2.017 -3.074
117 HD3 PRO 18 HD3 PRO 18 34.108 -0.630 -3.253
118 HA PRO 19 HA PRO 19 31.661 -5.658 1.015
119 HB2 PRO 19 HB2 PRO 19 28.738 -5.500 0.388
120 HB3 PRO 19 HB3 PRO 19 29.533 -5.800 1.937
121 HG2 PRO 19 HG2 PRO 19 28.494 -3.415 1.385
122 HG3 PRO 19 HG3 PRO 19 30.025 -3.557 2.267
123 HD2 PRO 19 HD2 PRO 19 29.530 -2.744 -0.551
124 HD3 PRO 19 HD3 PRO 19 30.807 -2.231 0.569
125 H SER 20 H SER 20 31.705 -7.808 0.540
126 HA SER 20 HA SER 20 31.193 -8.566 -2.228
127 HB2 SER 20 HB2 SER 20 32.557 -10.060 0.026
128 HB3 SER 20 HB3 SER 20 32.411 -10.649 -1.630
129 HG SER 20 HG SER 20 33.844 -9.193 -2.298
130 H GLY 21 H GLY 21 28.846 -8.487 -2.016
131 HA2 GLY 21 HA2 GLY 21 26.929 -9.814 -2.102
132 HA3 GLY 21 HA3 GLY 21 27.788 -11.076 -1.235
Start of MODEL 12
1 H1 GLY -1 H GLY -1 24.663 -9.465 1.104
2 HA2 GLY -1 HA2 GLY -1 23.381 -8.373 -1.265
3 HA3 GLY -1 HA3 GLY -1 22.573 -8.998 0.162
4 H ASP 1 H ASP 1 22.465 -7.619 2.067
5 HA ASP 1 HA ASP 1 21.787 -4.945 1.409
6 HB2 ASP 1 HB2 ASP 1 20.749 -6.248 3.278
7 HB3 ASP 1 HB3 ASP 1 22.249 -6.059 4.184
8 H ALA 2 H ALA 2 24.780 -6.387 2.401
9 HA ALA 2 HA ALA 2 26.074 -4.295 3.676
10 HB1 ALA 2 HB1 ALA 2 28.168 -5.304 2.951
11 HB2 ALA 2 HB2 ALA 2 27.307 -6.270 1.755
12 HB3 ALA 2 HB3 ALA 2 27.027 -6.540 3.476
13 H TYR 3 H TYR 3 25.602 -4.824 0.204
14 HA TYR 3 HA TYR 3 27.248 -2.648 -0.629
15 HB2 TYR 3 HB2 TYR 3 26.505 -4.672 -2.018
16 HB3 TYR 3 HB3 TYR 3 24.978 -3.823 -2.230
17 HD1 TYR 3 HD1 TYR 3 28.641 -3.509 -2.803
18 HD2 TYR 3 HD2 TYR 3 24.746 -2.185 -3.894
19 HE1 TYR 3 HE1 TYR 3 29.597 -2.274 -4.700
20 HE2 TYR 3 HE2 TYR 3 25.694 -0.947 -5.794
21 HH TYR 3 HH TYR 3 28.252 -1.406 -7.201
22 H ALA 4 H ALA 4 23.803 -3.016 0.083
23 HA ALA 4 HA ALA 4 22.881 -0.568 -0.916
24 HB1 ALA 4 HB1 ALA 4 20.942 -0.888 0.429
25 HB2 ALA 4 HB2 ALA 4 21.809 -1.954 1.535
26 HB3 ALA 4 HB3 ALA 4 21.469 -2.481 -0.114
27 H GLN 5 H GLN 5 24.066 -1.407 2.340
28 HA GLN 5 HA GLN 5 23.793 1.200 3.419
29 HB2 GLN 5 HB2 GLN 5 25.264 -1.278 4.236
30 HB3 GLN 5 HB3 GLN 5 25.608 0.237 5.060
31 HG2 GLN 5 HG2 GLN 5 22.953 0.285 5.228
32 HG3 GLN 5 HG3 GLN 5 23.187 -1.460 5.130
33 HE21 GLN 5 HE21 GLN 5 24.746 -2.396 6.678
34 HE22 GLN 5 HE22 GLN 5 24.831 -1.712 8.263
35 H TRP 6 H TRP 6 26.391 -0.480 1.752
36 HA TRP 6 HA TRP 6 28.486 1.317 2.214
37 HB2 TRP 6 HB2 TRP 6 28.814 -0.915 1.254
38 HB3 TRP 6 HB3 TRP 6 27.961 -0.429 -0.206
39 HD1 TRP 6 HD1 TRP 6 31.162 0.604 1.733
40 HE1 TRP 6 HE1 TRP 6 32.928 1.325 0.011
41 HE3 TRP 6 HE3 TRP 6 28.386 0.124 -2.530
42 HZ2 TRP 6 HZ2 TRP 6 33.122 1.643 -2.790
43 HZ3 TRP 6 HZ3 TRP 6 29.441 0.655 -4.689
44 HH2 TRP 6 HH2 TRP 6 31.765 1.399 -4.805
45 H LEU 7 H LEU 7 26.046 1.228 -0.376
46 HA LEU 7 HA LEU 7 27.017 3.490 -1.783
47 HB2 LEU 7 HB2 LEU 7 24.284 2.213 -1.697
48 HB3 LEU 7 HB3 LEU 7 24.705 3.522 -2.781
49 HG LEU 7 HG LEU 7 26.041 0.813 -2.769
50 HD11 LEU 7 HD11 LEU 7 24.779 0.831 -5.087
51 HD12 LEU 7 HD12 LEU 7 23.673 1.881 -4.202
52 HD13 LEU 7 HD13 LEU 7 24.005 0.251 -3.613
53 HD21 LEU 7 HD21 LEU 7 27.617 2.199 -3.723
54 HD22 LEU 7 HD22 LEU 7 26.409 3.302 -4.382
55 HD23 LEU 7 HD23 LEU 7 26.671 1.729 -5.135
56 H ALA 8 H ALA 8 24.647 3.072 0.803
57 HA ALA 8 HA ALA 8 23.633 5.701 0.827
58 HB1 ALA 8 HB1 ALA 8 22.256 4.761 2.270
59 HB2 ALA 8 HB2 ALA 8 23.556 4.662 3.457
60 HB3 ALA 8 HB3 ALA 8 23.279 3.327 2.338
61 H ASP 9 H ASP 9 26.576 4.335 2.111
62 HA ASP 9 HA ASP 9 27.114 6.576 3.857
63 HB2 ASP 9 HB2 ASP 9 27.861 4.049 4.068
64 HB3 ASP 9 HB3 ASP 9 29.221 4.598 3.093
65 H GLY 10 H GLY 10 27.056 6.527 0.646
66 HA2 GLY 10 HA2 GLY 10 27.892 8.411 -0.576
67 HA3 GLY 10 HA3 GLY 10 29.326 8.384 0.434
68 H GLY 11 H GLY 11 28.521 5.227 -0.456
69 HA2 GLY 11 HA2 GLY 11 29.481 3.733 -1.909
70 HA3 GLY 11 HA3 GLY 11 29.437 5.038 -3.085
71 HA PRO 12 HA PRO 12 33.915 4.083 -2.958
72 HB2 PRO 12 HB2 PRO 12 33.797 6.369 -4.879
73 HB3 PRO 12 HB3 PRO 12 34.660 4.834 -5.022
74 HG2 PRO 12 HG2 PRO 12 32.410 5.270 -6.377
75 HG3 PRO 12 HG3 PRO 12 32.764 3.681 -5.678
76 HD2 PRO 12 HD2 PRO 12 30.842 5.765 -4.773
77 HD3 PRO 12 HD3 PRO 12 30.738 3.996 -4.658
78 H SER 13 H SER 13 32.418 7.306 -2.831
79 HA SER 13 HA SER 13 34.618 8.766 -1.919
80 HB2 SER 13 HB2 SER 13 31.686 9.244 -1.343
81 HB3 SER 13 HB3 SER 13 32.977 10.430 -1.146
82 HG SER 13 HG SER 13 31.722 9.540 -3.437
83 H SER 14 H SER 14 32.381 6.710 -0.153
84 HA SER 14 HA SER 14 32.741 7.585 2.441
85 HB2 SER 14 HB2 SER 14 31.959 5.459 3.149
86 HB3 SER 14 HB3 SER 14 31.172 5.766 1.607
87 HG SER 14 HG SER 14 32.350 4.228 0.680
88 H GLY 15 H GLY 15 34.922 5.662 0.456
89 HA2 GLY 15 HA2 GLY 15 37.245 5.508 0.800
90 HA3 GLY 15 HA3 GLY 15 37.013 6.037 2.459
91 H ARG 16 H ARG 16 34.975 3.518 1.230
92 HA ARG 16 HA ARG 16 36.591 1.490 2.615
93 HB2 ARG 16 HB2 ARG 16 34.874 1.884 4.159
94 HB3 ARG 16 HB3 ARG 16 33.672 2.138 2.906
95 HG2 ARG 16 HG2 ARG 16 33.031 0.024 3.019
96 HG3 ARG 16 HG3 ARG 16 34.679 -0.545 2.760
97 HD2 ARG 16 HD2 ARG 16 33.922 -1.411 4.854
98 HD3 ARG 16 HD3 ARG 16 35.120 -0.161 5.183
99 HE ARG 16 HE ARG 16 32.484 0.905 5.203
100 HH11 ARG 16 HH11 ARG 16 34.722 -0.974 7.129
101 HH12 ARG 16 HH12 ARG 16 34.013 -0.503 8.637
102 HH21 ARG 16 HH21 ARG 16 31.554 1.524 7.192
103 HH22 ARG 16 HH22 ARG 16 32.214 0.915 8.673
104 HA PRO 17 HA PRO 17 36.076 -0.761 -1.174
105 HB2 PRO 17 HB2 PRO 17 36.450 -3.314 -0.319
106 HB3 PRO 17 HB3 PRO 17 37.769 -2.154 -0.505
107 HG2 PRO 17 HG2 PRO 17 36.334 -3.018 1.968
108 HG3 PRO 17 HG3 PRO 17 38.059 -2.690 1.726
109 HD2 PRO 17 HD2 PRO 17 36.347 -0.934 2.909
110 HD3 PRO 17 HD3 PRO 17 37.796 -0.432 2.017
111 HA PRO 18 HA PRO 18 31.776 -1.872 -1.327
112 HB2 PRO 18 HB2 PRO 18 31.869 -3.375 -3.653
113 HB3 PRO 18 HB3 PRO 18 31.780 -1.609 -3.611
114 HG2 PRO 18 HG2 PRO 18 34.162 -3.382 -3.966
115 HG3 PRO 18 HG3 PRO 18 33.753 -1.870 -4.799
116 HD2 PRO 18 HD2 PRO 18 35.570 -1.933 -2.835
117 HD3 PRO 18 HD3 PRO 18 34.466 -0.556 -3.025
118 HA PRO 19 HA PRO 19 32.154 -5.857 0.808
119 HB2 PRO 19 HB2 PRO 19 29.204 -5.546 0.937
120 HB3 PRO 19 HB3 PRO 19 30.355 -5.826 2.247
121 HG2 PRO 19 HG2 PRO 19 29.204 -3.443 1.904
122 HG3 PRO 19 HG3 PRO 19 30.891 -3.585 2.430
123 HD2 PRO 19 HD2 PRO 19 29.797 -2.895 -0.265
124 HD3 PRO 19 HD3 PRO 19 31.213 -2.242 0.587
125 H SER 20 H SER 20 31.308 -8.015 0.504
126 HA SER 20 HA SER 20 30.258 -8.443 -2.215
127 HB2 SER 20 HB2 SER 20 32.061 -10.154 -0.490
128 HB3 SER 20 HB3 SER 20 31.295 -10.749 -1.963
129 HG SER 20 HG SER 20 33.320 -8.842 -1.648
130 H GLY 21 H GLY 21 28.325 -7.840 -0.484
131 HA2 GLY 21 HA2 GLY 21 27.007 -10.436 -0.031
132 HA3 GLY 21 HA3 GLY 21 27.024 -9.235 1.252
Start of MODEL 13
1 H1 GLY -1 H GLY -1 25.336 -8.348 -1.490
2 HA2 GLY -1 HA2 GLY -1 24.239 -9.615 0.549
3 HA3 GLY -1 HA3 GLY -1 25.669 -8.968 1.341
4 H ASP 1 H ASP 1 23.372 -8.212 2.410
5 HA ASP 1 HA ASP 1 22.124 -5.935 1.297
6 HB2 ASP 1 HB2 ASP 1 22.296 -6.926 4.147
7 HB3 ASP 1 HB3 ASP 1 21.312 -5.552 3.656
8 H ALA 2 H ALA 2 25.143 -6.306 2.942
9 HA ALA 2 HA ALA 2 25.483 -3.820 4.139
10 HB1 ALA 2 HB1 ALA 2 27.558 -5.564 2.812
11 HB2 ALA 2 HB2 ALA 2 27.057 -5.615 4.503
12 HB3 ALA 2 HB3 ALA 2 27.907 -4.204 3.878
13 H TYR 3 H TYR 3 25.717 -4.726 0.747
14 HA TYR 3 HA TYR 3 27.088 -2.503 -0.239
15 HB2 TYR 3 HB2 TYR 3 26.484 -4.613 -1.504
16 HB3 TYR 3 HB3 TYR 3 24.871 -3.933 -1.706
17 HD1 TYR 3 HD1 TYR 3 28.466 -3.138 -2.337
18 HD2 TYR 3 HD2 TYR 3 24.420 -2.578 -3.540
19 HE1 TYR 3 HE1 TYR 3 29.230 -1.909 -4.322
20 HE2 TYR 3 HE2 TYR 3 25.177 -1.350 -5.529
21 HH TYR 3 HH TYR 3 27.722 0.073 -5.956
22 H ALA 4 H ALA 4 23.666 -2.915 0.534
23 HA ALA 4 HA ALA 4 22.668 -0.590 -0.659
24 HB1 ALA 4 HB1 ALA 4 21.656 -1.761 1.927
25 HB2 ALA 4 HB2 ALA 4 21.324 -2.468 0.345
26 HB3 ALA 4 HB3 ALA 4 20.750 -0.844 0.724
27 H GLN 5 H GLN 5 24.028 -1.117 2.580
28 HA GLN 5 HA GLN 5 23.694 1.595 3.420
29 HB2 GLN 5 HB2 GLN 5 24.896 -0.864 4.527
30 HB3 GLN 5 HB3 GLN 5 25.629 0.637 5.074
31 HG2 GLN 5 HG2 GLN 5 22.664 0.322 5.149
32 HG3 GLN 5 HG3 GLN 5 23.662 -0.415 6.401
33 HE21 GLN 5 HE21 GLN 5 22.594 2.583 4.972
34 HE22 GLN 5 HE22 GLN 5 23.096 3.609 6.269
35 H TRP 6 H TRP 6 26.246 -0.239 1.862
36 HA TRP 6 HA TRP 6 28.390 1.524 2.208
37 HB2 TRP 6 HB2 TRP 6 28.589 -0.784 1.310
38 HB3 TRP 6 HB3 TRP 6 27.831 -0.245 -0.184
39 HD1 TRP 6 HD1 TRP 6 30.990 0.614 1.908
40 HE1 TRP 6 HE1 TRP 6 32.869 1.246 0.268
41 HE3 TRP 6 HE3 TRP 6 28.389 0.292 -2.480
42 HZ2 TRP 6 HZ2 TRP 6 33.205 1.561 -2.519
43 HZ3 TRP 6 HZ3 TRP 6 29.567 0.772 -4.586
44 HH2 TRP 6 HH2 TRP 6 31.929 1.393 -4.594
45 H LEU 7 H LEU 7 25.933 1.367 -0.363
46 HA LEU 7 HA LEU 7 26.937 3.575 -1.840
47 HB2 LEU 7 HB2 LEU 7 24.220 2.268 -1.759
48 HB3 LEU 7 HB3 LEU 7 24.618 3.572 -2.857
49 HG LEU 7 HG LEU 7 26.016 0.895 -2.798
50 HD11 LEU 7 HD11 LEU 7 24.796 0.711 -5.062
51 HD12 LEU 7 HD12 LEU 7 23.711 1.932 -4.397
52 HD13 LEU 7 HD13 LEU 7 23.898 0.379 -3.580
53 HD21 LEU 7 HD21 LEU 7 27.570 2.288 -3.765
54 HD22 LEU 7 HD22 LEU 7 26.349 3.373 -4.429
55 HD23 LEU 7 HD23 LEU 7 26.633 1.803 -5.177
56 H ALA 8 H ALA 8 24.630 3.245 0.801
57 HA ALA 8 HA ALA 8 23.522 5.831 0.716
58 HB1 ALA 8 HB1 ALA 8 22.248 4.891 2.252
59 HB2 ALA 8 HB2 ALA 8 23.578 5.010 3.403
60 HB3 ALA 8 HB3 ALA 8 23.380 3.552 2.429
61 H ASP 9 H ASP 9 26.550 4.629 1.989
62 HA ASP 9 HA ASP 9 27.102 7.033 3.503
63 HB2 ASP 9 HB2 ASP 9 27.937 4.492 3.827
64 HB3 ASP 9 HB3 ASP 9 29.293 5.124 2.899
65 H GLY 10 H GLY 10 26.977 6.591 0.302
66 HA2 GLY 10 HA2 GLY 10 27.690 8.271 -1.213
67 HA3 GLY 10 HA3 GLY 10 29.081 8.574 -0.184
68 H GLY 11 H GLY 11 28.357 5.252 -0.822
69 HA2 GLY 11 HA2 GLY 11 29.517 3.641 -1.972
70 HA3 GLY 11 HA3 GLY 11 29.580 4.823 -3.269
71 HA PRO 12 HA PRO 12 34.041 4.027 -2.653
72 HB2 PRO 12 HB2 PRO 12 34.063 6.256 -4.643
73 HB3 PRO 12 HB3 PRO 12 34.981 4.747 -4.649
74 HG2 PRO 12 HG2 PRO 12 32.871 5.072 -6.241
75 HG3 PRO 12 HG3 PRO 12 33.198 3.516 -5.460
76 HD2 PRO 12 HD2 PRO 12 31.126 5.555 -4.826
77 HD3 PRO 12 HD3 PRO 12 31.072 3.788 -4.655
78 H SER 13 H SER 13 32.444 7.196 -2.744
79 HA SER 13 HA SER 13 34.492 8.768 -1.691
80 HB2 SER 13 HB2 SER 13 32.309 9.569 -2.693
81 HB3 SER 13 HB3 SER 13 31.553 9.201 -1.142
82 HG SER 13 HG SER 13 32.136 11.290 -0.971
83 H SER 14 H SER 14 32.140 6.718 -0.033
84 HA SER 14 HA SER 14 32.337 7.611 2.558
85 HB2 SER 14 HB2 SER 14 31.605 5.433 3.246
86 HB3 SER 14 HB3 SER 14 30.841 5.782 1.701
87 HG SER 14 HG SER 14 31.887 4.176 0.833
88 H GLY 15 H GLY 15 34.583 5.476 0.828
89 HA2 GLY 15 HA2 GLY 15 36.932 5.542 1.290
90 HA3 GLY 15 HA3 GLY 15 36.560 5.982 2.948
91 H ARG 16 H ARG 16 34.629 3.444 1.662
92 HA ARG 16 HA ARG 16 36.364 1.439 2.937
93 HB2 ARG 16 HB2 ARG 16 33.949 0.328 3.348
94 HB3 ARG 16 HB3 ARG 16 34.738 1.368 4.522
95 HG2 ARG 16 HG2 ARG 16 33.459 3.281 3.356
96 HG3 ARG 16 HG3 ARG 16 32.463 1.990 2.683
97 HD2 ARG 16 HD2 ARG 16 32.678 1.387 5.393
98 HD3 ARG 16 HD3 ARG 16 32.470 3.135 5.341
99 HE ARG 16 HE ARG 16 30.341 2.844 4.422
100 HH11 ARG 16 HH11 ARG 16 31.939 -0.248 4.845
101 HH12 ARG 16 HH12 ARG 16 30.476 -1.159 4.687
102 HH21 ARG 16 HH21 ARG 16 28.421 1.632 4.224
103 HH22 ARG 16 HH22 ARG 16 28.483 -0.096 4.331
104 HA PRO 17 HA PRO 17 35.902 -0.915 -0.772
105 HB2 PRO 17 HB2 PRO 17 36.135 -3.450 0.114
106 HB3 PRO 17 HB3 PRO 17 37.498 -2.322 0.135
107 HG2 PRO 17 HG2 PRO 17 35.659 -3.108 2.368
108 HG3 PRO 17 HG3 PRO 17 37.427 -2.949 2.381
109 HD2 PRO 17 HD2 PRO 17 35.769 -1.019 3.329
110 HD3 PRO 17 HD3 PRO 17 37.344 -0.658 2.590
111 HA PRO 18 HA PRO 18 31.559 -1.877 -1.086
112 HB2 PRO 18 HB2 PRO 18 31.638 -3.162 -3.522
113 HB3 PRO 18 HB3 PRO 18 31.659 -1.404 -3.340
114 HG2 PRO 18 HG2 PRO 18 33.930 -3.294 -3.793
115 HG3 PRO 18 HG3 PRO 18 33.640 -1.700 -4.511
116 HD2 PRO 18 HD2 PRO 18 35.397 -2.066 -2.500
117 HD3 PRO 18 HD3 PRO 18 34.439 -0.579 -2.654
118 HA PRO 19 HA PRO 19 31.606 -5.928 0.891
119 HB2 PRO 19 HB2 PRO 19 28.712 -5.611 0.174
120 HB3 PRO 19 HB3 PRO 19 29.433 -6.135 1.702
121 HG2 PRO 19 HG2 PRO 19 28.487 -3.670 1.443
122 HG3 PRO 19 HG3 PRO 19 29.993 -3.970 2.330
123 HD2 PRO 19 HD2 PRO 19 29.592 -2.800 -0.378
124 HD3 PRO 19 HD3 PRO 19 30.843 -2.455 0.829
125 H SER 20 H SER 20 31.570 -8.031 0.178
126 HA SER 20 HA SER 20 31.283 -8.419 -2.685
127 HB2 SER 20 HB2 SER 20 32.337 -10.173 -0.463
128 HB3 SER 20 HB3 SER 20 32.164 -10.740 -2.125
129 HG SER 20 HG SER 20 34.010 -9.824 -2.482
130 H GLY 21 H GLY 21 28.914 -8.044 -2.548
131 HA2 GLY 21 HA2 GLY 21 26.833 -8.972 -2.903
132 HA3 GLY 21 HA3 GLY 21 27.534 -10.554 -2.598
Start of MODEL 14
1 H1 GLY -1 H GLY -1 25.552 -7.839 -1.071
2 HA2 GLY -1 HA2 GLY -1 23.578 -9.402 0.221
3 HA3 GLY -1 HA3 GLY -1 24.927 -9.122 1.313
4 H ASP 1 H ASP 1 23.173 -8.031 2.566
5 HA ASP 1 HA ASP 1 21.988 -5.628 1.645
6 HB2 ASP 1 HB2 ASP 1 22.427 -6.689 4.441
7 HB3 ASP 1 HB3 ASP 1 21.486 -5.246 4.077
8 H ALA 2 H ALA 2 25.132 -6.307 2.945
9 HA ALA 2 HA ALA 2 25.815 -3.866 4.101
10 HB1 ALA 2 HB1 ALA 2 27.603 -5.760 2.577
11 HB2 ALA 2 HB2 ALA 2 27.229 -5.832 4.300
12 HB3 ALA 2 HB3 ALA 2 28.148 -4.474 3.654
13 H TYR 3 H TYR 3 25.770 -4.815 0.695
14 HA TYR 3 HA TYR 3 27.169 -2.600 -0.338
15 HB2 TYR 3 HB2 TYR 3 26.547 -4.772 -1.540
16 HB3 TYR 3 HB3 TYR 3 24.966 -4.043 -1.806
17 HD1 TYR 3 HD1 TYR 3 28.588 -3.630 -2.491
18 HD2 TYR 3 HD2 TYR 3 24.629 -2.480 -3.545
19 HE1 TYR 3 HE1 TYR 3 29.456 -2.487 -4.487
20 HE2 TYR 3 HE2 TYR 3 25.488 -1.334 -5.542
21 HH TYR 3 HH TYR 3 28.099 -0.260 -6.068
22 H ALA 4 H ALA 4 23.737 -3.081 0.391
23 HA ALA 4 HA ALA 4 22.709 -0.781 -0.820
24 HB1 ALA 4 HB1 ALA 4 21.766 -2.231 1.652
25 HB2 ALA 4 HB2 ALA 4 21.233 -2.498 -0.008
26 HB3 ALA 4 HB3 ALA 4 20.846 -0.984 0.809
27 H GLN 5 H GLN 5 23.968 -1.257 2.476
28 HA GLN 5 HA GLN 5 23.574 1.456 3.272
29 HB2 GLN 5 HB2 GLN 5 25.166 -0.830 4.419
30 HB3 GLN 5 HB3 GLN 5 25.200 0.773 5.138
31 HG2 GLN 5 HG2 GLN 5 22.593 -0.597 4.640
32 HG3 GLN 5 HG3 GLN 5 23.565 -1.007 6.052
33 HE21 GLN 5 HE21 GLN 5 24.069 0.697 7.558
34 HE22 GLN 5 HE22 GLN 5 22.995 2.039 7.726
35 H TRP 6 H TRP 6 26.197 -0.340 1.793
36 HA TRP 6 HA TRP 6 28.316 1.434 2.186
37 HB2 TRP 6 HB2 TRP 6 28.566 -0.854 1.291
38 HB3 TRP 6 HB3 TRP 6 27.794 -0.349 -0.207
39 HD1 TRP 6 HD1 TRP 6 30.947 0.598 1.855
40 HE1 TRP 6 HE1 TRP 6 32.813 1.221 0.199
41 HE3 TRP 6 HE3 TRP 6 28.342 0.132 -2.518
42 HZ2 TRP 6 HZ2 TRP 6 33.137 1.478 -2.598
43 HZ3 TRP 6 HZ3 TRP 6 29.508 0.584 -4.639
44 HH2 TRP 6 HH2 TRP 6 31.860 1.243 -4.667
45 H LEU 7 H LEU 7 25.950 1.276 -0.476
46 HA LEU 7 HA LEU 7 26.978 3.482 -1.918
47 HB2 LEU 7 HB2 LEU 7 24.228 2.243 -1.867
48 HB3 LEU 7 HB3 LEU 7 24.694 3.510 -2.981
49 HG LEU 7 HG LEU 7 26.001 0.790 -2.841
50 HD11 LEU 7 HD11 LEU 7 24.805 0.651 -5.152
51 HD12 LEU 7 HD12 LEU 7 23.718 1.845 -4.442
52 HD13 LEU 7 HD13 LEU 7 23.923 0.273 -3.672
53 HD21 LEU 7 HD21 LEU 7 26.407 3.205 -4.562
54 HD22 LEU 7 HD22 LEU 7 26.713 1.594 -5.210
55 HD23 LEU 7 HD23 LEU 7 27.604 2.158 -3.799
56 H ALA 8 H ALA 8 24.494 3.192 0.586
57 HA ALA 8 HA ALA 8 23.565 5.855 0.492
58 HB1 ALA 8 HB1 ALA 8 22.094 5.062 1.932
59 HB2 ALA 8 HB2 ALA 8 23.352 4.797 3.137
60 HB3 ALA 8 HB3 ALA 8 22.977 3.538 1.961
61 H ASP 9 H ASP 9 26.389 4.425 1.949
62 HA ASP 9 HA ASP 9 26.900 6.667 3.702
63 HB2 ASP 9 HB2 ASP 9 27.551 4.135 3.996
64 HB3 ASP 9 HB3 ASP 9 28.967 4.601 3.059
65 H GLY 10 H GLY 10 27.019 6.602 0.489
66 HA2 GLY 10 HA2 GLY 10 27.982 8.439 -0.704
67 HA3 GLY 10 HA3 GLY 10 29.343 8.400 0.404
68 H GLY 11 H GLY 11 28.606 5.239 -0.440
69 HA2 GLY 11 HA2 GLY 11 29.653 3.701 -1.776
70 HA3 GLY 11 HA3 GLY 11 29.631 4.947 -3.012
71 HA PRO 12 HA PRO 12 34.113 4.047 -2.693
72 HB2 PRO 12 HB2 PRO 12 34.021 6.230 -4.733
73 HB3 PRO 12 HB3 PRO 12 34.916 4.707 -4.768
74 HG2 PRO 12 HG2 PRO 12 32.702 5.025 -6.212
75 HG3 PRO 12 HG3 PRO 12 33.060 3.482 -5.418
76 HD2 PRO 12 HD2 PRO 12 31.076 5.575 -4.690
77 HD3 PRO 12 HD3 PRO 12 30.999 3.815 -4.476
78 H SER 13 H SER 13 32.541 7.226 -2.730
79 HA SER 13 HA SER 13 34.666 8.814 -1.889
80 HB2 SER 13 HB2 SER 13 31.735 9.173 -1.225
81 HB3 SER 13 HB3 SER 13 32.975 10.424 -1.157
82 HG SER 13 HG SER 13 31.638 10.312 -3.127
83 H SER 14 H SER 14 32.472 6.803 0.014
84 HA SER 14 HA SER 14 32.974 7.766 2.560
85 HB2 SER 14 HB2 SER 14 32.149 5.685 3.377
86 HB3 SER 14 HB3 SER 14 31.284 6.006 1.879
87 HG SER 14 HG SER 14 31.957 3.898 1.808
88 H GLY 15 H GLY 15 34.988 5.717 0.535
89 HA2 GLY 15 HA2 GLY 15 37.320 5.494 0.792
90 HA3 GLY 15 HA3 GLY 15 37.167 6.025 2.460
91 H ARG 16 H ARG 16 34.980 3.601 1.331
92 HA ARG 16 HA ARG 16 36.561 1.508 2.661
93 HB2 ARG 16 HB2 ARG 16 34.837 2.015 4.203
94 HB3 ARG 16 HB3 ARG 16 33.634 2.176 2.936
95 HG2 ARG 16 HG2 ARG 16 33.049 0.054 3.142
96 HG3 ARG 16 HG3 ARG 16 34.712 -0.486 2.928
97 HD2 ARG 16 HD2 ARG 16 34.526 -1.208 5.042
98 HD3 ARG 16 HD3 ARG 16 34.787 0.482 5.469
99 HE ARG 16 HE ARG 16 32.214 0.573 5.332
100 HH11 ARG 16 HH11 ARG 16 34.068 -2.156 6.526
101 HH12 ARG 16 HH12 ARG 16 32.798 -2.717 7.557
102 HH21 ARG 16 HH21 ARG 16 30.556 -0.177 6.700
103 HH22 ARG 16 HH22 ARG 16 30.808 -1.597 7.657
104 HA PRO 17 HA PRO 17 35.929 -0.664 -1.165
105 HB2 PRO 17 HB2 PRO 17 36.369 -3.224 -0.379
106 HB3 PRO 17 HB3 PRO 17 37.666 -2.042 -0.581
107 HG2 PRO 17 HG2 PRO 17 36.328 -2.983 1.915
108 HG3 PRO 17 HG3 PRO 17 38.039 -2.624 1.624
109 HD2 PRO 17 HD2 PRO 17 36.332 -0.924 2.902
110 HD3 PRO 17 HD3 PRO 17 37.758 -0.381 1.992
111 HA PRO 18 HA PRO 18 31.662 -1.856 -1.193
112 HB2 PRO 18 HB2 PRO 18 31.703 -3.396 -3.494
113 HB3 PRO 18 HB3 PRO 18 31.611 -1.630 -3.480
114 HG2 PRO 18 HG2 PRO 18 33.987 -3.403 -3.872
115 HG3 PRO 18 HG3 PRO 18 33.553 -1.904 -4.714
116 HD2 PRO 18 HD2 PRO 18 35.421 -1.944 -2.792
117 HD3 PRO 18 HD3 PRO 18 34.320 -0.564 -2.987
118 HA PRO 19 HA PRO 19 32.098 -5.798 1.009
119 HB2 PRO 19 HB2 PRO 19 29.144 -5.502 1.155
120 HB3 PRO 19 HB3 PRO 19 30.305 -5.761 2.460
121 HG2 PRO 19 HG2 PRO 19 29.146 -3.385 2.094
122 HG3 PRO 19 HG3 PRO 19 30.839 -3.514 2.605
123 HD2 PRO 19 HD2 PRO 19 29.714 -2.864 -0.088
124 HD3 PRO 19 HD3 PRO 19 31.138 -2.199 0.738
125 H SER 20 H SER 20 30.806 -7.920 0.918
126 HA SER 20 HA SER 20 30.736 -8.813 -1.789
127 HB2 SER 20 HB2 SER 20 31.241 -10.080 0.510
128 HB3 SER 20 HB3 SER 20 29.531 -10.482 0.365
129 HG SER 20 HG SER 20 31.446 -11.746 -0.771
130 H GLY 21 H GLY 21 28.727 -10.429 -2.264
131 HA2 GLY 21 HA2 GLY 21 26.544 -8.725 -2.854
132 HA3 GLY 21 HA3 GLY 21 26.576 -10.469 -3.064
Start of MODEL 15
1 H1 GLY -1 H GLY -1 24.906 -9.377 -1.053
2 HA2 GLY -1 HA2 GLY -1 24.054 -9.822 1.219
3 HA3 GLY -1 HA3 GLY -1 25.538 -9.098 1.818
4 H ASP 1 H ASP 1 23.162 -8.157 2.751
5 HA ASP 1 HA ASP 1 22.111 -5.971 1.273
6 HB2 ASP 1 HB2 ASP 1 21.954 -6.661 4.212
7 HB3 ASP 1 HB3 ASP 1 21.085 -5.318 3.478
8 H ALA 2 H ALA 2 25.039 -6.296 2.981
9 HA ALA 2 HA ALA 2 25.411 -3.791 4.135
10 HB1 ALA 2 HB1 ALA 2 27.471 -5.574 2.837
11 HB2 ALA 2 HB2 ALA 2 26.956 -5.619 4.524
12 HB3 ALA 2 HB3 ALA 2 27.823 -4.215 3.904
13 H TYR 3 H TYR 3 25.652 -4.771 0.761
14 HA TYR 3 HA TYR 3 27.040 -2.550 -0.240
15 HB2 TYR 3 HB2 TYR 3 26.507 -4.708 -1.465
16 HB3 TYR 3 HB3 TYR 3 24.896 -4.054 -1.740
17 HD1 TYR 3 HD1 TYR 3 28.502 -3.311 -2.310
18 HD2 TYR 3 HD2 TYR 3 24.492 -2.673 -3.582
19 HE1 TYR 3 HE1 TYR 3 29.327 -2.127 -4.299
20 HE2 TYR 3 HE2 TYR 3 25.307 -1.489 -5.576
21 HH TYR 3 HH TYR 3 27.973 -1.699 -6.883
22 H ALA 4 H ALA 4 23.594 -3.026 0.408
23 HA ALA 4 HA ALA 4 22.582 -0.754 -0.864
24 HB1 ALA 4 HB1 ALA 4 21.609 -2.127 1.640
25 HB2 ALA 4 HB2 ALA 4 21.111 -2.471 -0.015
26 HB3 ALA 4 HB3 ALA 4 20.694 -0.928 0.728
27 H GLN 5 H GLN 5 23.799 -1.158 2.454
28 HA GLN 5 HA GLN 5 23.403 1.576 3.181
29 HB2 GLN 5 HB2 GLN 5 24.658 -0.815 4.418
30 HB3 GLN 5 HB3 GLN 5 25.207 0.753 4.993
31 HG2 GLN 5 HG2 GLN 5 22.408 0.894 4.920
32 HG3 GLN 5 HG3 GLN 5 22.804 -0.677 5.614
33 HE21 GLN 5 HE21 GLN 5 23.445 2.785 5.895
34 HE22 GLN 5 HE22 GLN 5 23.773 2.766 7.591
35 H TRP 6 H TRP 6 26.031 -0.267 1.777
36 HA TRP 6 HA TRP 6 28.161 1.489 2.199
37 HB2 TRP 6 HB2 TRP 6 28.395 -0.819 1.321
38 HB3 TRP 6 HB3 TRP 6 27.687 -0.295 -0.203
39 HD1 TRP 6 HD1 TRP 6 30.782 0.571 1.978
40 HE1 TRP 6 HE1 TRP 6 32.713 1.186 0.394
41 HE3 TRP 6 HE3 TRP 6 28.320 0.225 -2.485
42 HZ2 TRP 6 HZ2 TRP 6 33.135 1.487 -2.381
43 HZ3 TRP 6 HZ3 TRP 6 29.562 0.693 -4.556
44 HH2 TRP 6 HH2 TRP 6 31.925 1.310 -4.495
45 H LEU 7 H LEU 7 25.860 1.320 -0.523
46 HA LEU 7 HA LEU 7 26.936 3.511 -1.956
47 HB2 LEU 7 HB2 LEU 7 24.184 2.272 -1.965
48 HB3 LEU 7 HB3 LEU 7 24.667 3.543 -3.067
49 HG LEU 7 HG LEU 7 25.986 0.831 -2.907
50 HD11 LEU 7 HD11 LEU 7 23.868 0.367 -3.742
51 HD12 LEU 7 HD12 LEU 7 24.841 0.604 -5.194
52 HD13 LEU 7 HD13 LEU 7 23.777 1.891 -4.627
53 HD21 LEU 7 HD21 LEU 7 27.598 2.202 -3.837
54 HD22 LEU 7 HD22 LEU 7 26.413 3.253 -4.610
55 HD23 LEU 7 HD23 LEU 7 26.729 1.648 -5.267
56 H ALA 8 H ALA 8 24.414 3.247 0.507
57 HA ALA 8 HA ALA 8 23.479 5.906 0.366
58 HB1 ALA 8 HB1 ALA 8 23.132 5.007 3.003
59 HB2 ALA 8 HB2 ALA 8 22.977 3.591 1.963
60 HB3 ALA 8 HB3 ALA 8 21.960 5.004 1.685
61 H ASP 9 H ASP 9 26.311 4.522 1.835
62 HA ASP 9 HA ASP 9 26.769 6.812 3.559
63 HB2 ASP 9 HB2 ASP 9 27.369 4.273 3.975
64 HB3 ASP 9 HB3 ASP 9 28.838 4.701 3.106
65 H GLY 10 H GLY 10 26.864 6.851 0.444
66 HA2 GLY 10 HA2 GLY 10 27.935 8.516 -0.830
67 HA3 GLY 10 HA3 GLY 10 29.248 8.535 0.332
68 H GLY 11 H GLY 11 28.589 5.330 -0.392
69 HA2 GLY 11 HA2 GLY 11 29.724 3.751 -1.607
70 HA3 GLY 11 HA3 GLY 11 29.688 4.927 -2.909
71 HA PRO 12 HA PRO 12 34.191 4.202 -2.486
72 HB2 PRO 12 HB2 PRO 12 34.067 6.303 -4.608
73 HB3 PRO 12 HB3 PRO 12 35.007 4.808 -4.571
74 HG2 PRO 12 HG2 PRO 12 32.812 5.001 -6.060
75 HG3 PRO 12 HG3 PRO 12 33.201 3.503 -5.197
76 HD2 PRO 12 HD2 PRO 12 31.146 5.567 -4.583
77 HD3 PRO 12 HD3 PRO 12 31.112 3.814 -4.308
78 H SER 13 H SER 13 32.484 7.300 -2.568
79 HA SER 13 HA SER 13 34.497 9.058 -1.885
80 HB2 SER 13 HB2 SER 13 32.100 9.629 -2.444
81 HB3 SER 13 HB3 SER 13 31.688 9.216 -0.779
82 HG SER 13 HG SER 13 32.160 11.498 -1.238
83 H SER 14 H SER 14 32.544 7.045 0.311
84 HA SER 14 HA SER 14 33.492 8.064 2.729
85 HB2 SER 14 HB2 SER 14 32.665 6.003 3.725
86 HB3 SER 14 HB3 SER 14 31.527 6.581 2.515
87 HG SER 14 HG SER 14 33.016 4.275 2.577
88 H GLY 15 H GLY 15 34.909 5.691 0.549
89 HA2 GLY 15 HA2 GLY 15 37.218 5.201 0.465
90 HA3 GLY 15 HA3 GLY 15 37.382 5.805 2.107
91 H ARG 16 H ARG 16 34.829 3.572 1.304
92 HA ARG 16 HA ARG 16 36.255 1.464 2.786
93 HB2 ARG 16 HB2 ARG 16 34.345 2.335 4.032
94 HB3 ARG 16 HB3 ARG 16 33.288 2.070 2.655
95 HG2 ARG 16 HG2 ARG 16 32.761 0.138 3.600
96 HG3 ARG 16 HG3 ARG 16 34.361 -0.428 3.132
97 HD2 ARG 16 HD2 ARG 16 34.121 -0.879 5.453
98 HD3 ARG 16 HD3 ARG 16 35.211 0.499 5.307
99 HE ARG 16 HE ARG 16 32.359 0.964 5.814
100 HH11 ARG 16 HH11 ARG 16 35.673 1.113 6.955
101 HH12 ARG 16 HH12 ARG 16 35.297 2.182 8.263
102 HH21 ARG 16 HH21 ARG 16 31.881 2.369 7.539
103 HH22 ARG 16 HH22 ARG 16 33.150 2.894 8.596
104 HA PRO 17 HA PRO 17 35.856 -0.954 -0.925
105 HB2 PRO 17 HB2 PRO 17 36.098 -3.469 0.076
106 HB3 PRO 17 HB3 PRO 17 37.464 -2.366 -0.110
107 HG2 PRO 17 HG2 PRO 17 35.898 -3.050 2.336
108 HG3 PRO 17 HG3 PRO 17 37.641 -2.788 2.155
109 HD2 PRO 17 HD2 PRO 17 35.931 -0.926 3.168
110 HD3 PRO 17 HD3 PRO 17 37.440 -0.512 2.331
111 HA PRO 18 HA PRO 18 31.501 -1.880 -1.050
112 HB2 PRO 18 HB2 PRO 18 31.467 -3.112 -3.510
113 HB3 PRO 18 HB3 PRO 18 31.527 -1.359 -3.297
114 HG2 PRO 18 HG2 PRO 18 33.749 -3.277 -3.864
115 HG3 PRO 18 HG3 PRO 18 33.450 -1.672 -4.556
116 HD2 PRO 18 HD2 PRO 18 35.279 -2.075 -2.622
117 HD3 PRO 18 HD3 PRO 18 34.328 -0.579 -2.720
118 HA PRO 19 HA PRO 19 31.710 -6.019 0.772
119 HB2 PRO 19 HB2 PRO 19 28.756 -5.617 0.583
120 HB3 PRO 19 HB3 PRO 19 29.724 -6.151 1.961
121 HG2 PRO 19 HG2 PRO 19 28.756 -3.675 1.858
122 HG3 PRO 19 HG3 PRO 19 30.376 -3.993 2.504
123 HD2 PRO 19 HD2 PRO 19 29.578 -2.831 -0.123
124 HD3 PRO 19 HD3 PRO 19 30.980 -2.461 0.901
125 H SER 20 H SER 20 31.815 -7.926 -0.258
126 HA SER 20 HA SER 20 30.719 -8.164 -2.933
127 HB2 SER 20 HB2 SER 20 33.062 -8.931 -2.186
128 HB3 SER 20 HB3 SER 20 32.241 -10.315 -1.468
129 HG SER 20 HG SER 20 31.731 -11.053 -3.422
130 H GLY 21 H GLY 21 28.455 -8.210 -2.376
131 HA2 GLY 21 HA2 GLY 21 26.575 -9.616 -2.427
132 HA3 GLY 21 HA3 GLY 21 27.550 -10.912 -1.753
Start of MODEL 16
1 H1 GLY -1 H GLY -1 25.789 -8.294 0.596
2 HA2 GLY -1 HA2 GLY -1 24.509 -7.978 -1.942
3 HA3 GLY -1 HA3 GLY -1 23.582 -9.031 -0.886
4 H ASP 1 H ASP 1 22.847 -8.157 1.177
5 HA ASP 1 HA ASP 1 21.638 -5.643 0.939
6 HB2 ASP 1 HB2 ASP 1 21.079 -5.892 3.340
7 HB3 ASP 1 HB3 ASP 1 20.741 -7.352 2.417
8 H ALA 2 H ALA 2 24.734 -6.561 2.326
9 HA ALA 2 HA ALA 2 25.291 -4.273 3.831
10 HB1 ALA 2 HB1 ALA 2 27.656 -4.882 3.588
11 HB2 ALA 2 HB2 ALA 2 27.223 -6.038 2.330
12 HB3 ALA 2 HB3 ALA 2 26.653 -6.277 3.983
13 H TYR 3 H TYR 3 25.570 -4.845 0.363
14 HA TYR 3 HA TYR 3 27.151 -2.647 -0.343
15 HB2 TYR 3 HB2 TYR 3 26.409 -4.596 -1.815
16 HB3 TYR 3 HB3 TYR 3 24.898 -3.721 -2.037
17 HD1 TYR 3 HD1 TYR 3 28.587 -3.352 -2.450
18 HD2 TYR 3 HD2 TYR 3 24.716 -2.127 -3.724
19 HE1 TYR 3 HE1 TYR 3 29.601 -2.077 -4.292
20 HE2 TYR 3 HE2 TYR 3 25.721 -0.851 -5.570
21 HH TYR 3 HH TYR 3 28.382 -1.240 -6.842
22 H ALA 4 H ALA 4 23.683 -2.875 0.277
23 HA ALA 4 HA ALA 4 22.886 -0.389 -0.729
24 HB1 ALA 4 HB1 ALA 4 21.757 -1.948 1.595
25 HB2 ALA 4 HB2 ALA 4 21.270 -2.076 -0.095
26 HB3 ALA 4 HB3 ALA 4 20.961 -0.589 0.802
27 H GLN 5 H GLN 5 24.095 -1.287 2.495
28 HA GLN 5 HA GLN 5 23.820 1.287 3.648
29 HB2 GLN 5 HB2 GLN 5 25.564 -1.066 4.384
30 HB3 GLN 5 HB3 GLN 5 25.473 0.403 5.345
31 HG2 GLN 5 HG2 GLN 5 22.920 -0.058 5.343
32 HG3 GLN 5 HG3 GLN 5 23.399 -1.696 4.901
33 HE21 GLN 5 HE21 GLN 5 22.714 0.311 7.432
34 HE22 GLN 5 HE22 GLN 5 23.504 -0.556 8.701
35 H TRP 6 H TRP 6 26.463 -0.339 1.970
36 HA TRP 6 HA TRP 6 28.485 1.560 2.403
37 HB2 TRP 6 HB2 TRP 6 28.923 -0.686 1.504
38 HB3 TRP 6 HB3 TRP 6 28.054 -0.274 0.029
39 HD1 TRP 6 HD1 TRP 6 31.221 0.917 1.945
40 HE1 TRP 6 HE1 TRP 6 32.953 1.675 0.201
41 HE3 TRP 6 HE3 TRP 6 28.437 0.288 -2.296
42 HZ2 TRP 6 HZ2 TRP 6 33.118 1.962 -2.606
43 HZ3 TRP 6 HZ3 TRP 6 29.461 0.826 -4.468
44 HH2 TRP 6 HH2 TRP 6 31.759 1.644 -4.608
45 H LEU 7 H LEU 7 26.058 1.276 -0.177
46 HA LEU 7 HA LEU 7 26.917 3.500 -1.695
47 HB2 LEU 7 HB2 LEU 7 24.286 2.057 -1.474
48 HB3 LEU 7 HB3 LEU 7 24.479 3.448 -2.522
49 HG LEU 7 HG LEU 7 26.086 0.897 -2.741
50 HD11 LEU 7 HD11 LEU 7 24.071 0.149 -3.472
51 HD12 LEU 7 HD12 LEU 7 24.644 0.897 -4.963
52 HD13 LEU 7 HD13 LEU 7 23.508 1.758 -3.924
53 HD21 LEU 7 HD21 LEU 7 27.453 2.365 -3.811
54 HD22 LEU 7 HD22 LEU 7 26.152 3.506 -4.152
55 HD23 LEU 7 HD23 LEU 7 26.330 2.051 -5.132
56 H ALA 8 H ALA 8 24.678 3.165 1.013
57 HA ALA 8 HA ALA 8 23.540 5.729 0.951
58 HB1 ALA 8 HB1 ALA 8 22.380 4.937 2.654
59 HB2 ALA 8 HB2 ALA 8 23.829 4.794 3.647
60 HB3 ALA 8 HB3 ALA 8 23.355 3.471 2.582
61 H ASP 9 H ASP 9 26.646 4.617 2.107
62 HA ASP 9 HA ASP 9 27.192 7.073 3.551
63 HB2 ASP 9 HB2 ASP 9 28.032 4.564 3.984
64 HB3 ASP 9 HB3 ASP 9 29.364 5.124 2.979
65 H GLY 10 H GLY 10 26.842 6.832 0.465
66 HA2 GLY 10 HA2 GLY 10 27.602 8.382 -1.122
67 HA3 GLY 10 HA3 GLY 10 29.035 8.652 -0.145
68 H GLY 11 H GLY 11 28.416 5.328 -0.551
69 HA2 GLY 11 HA2 GLY 11 29.507 3.696 -1.741
70 HA3 GLY 11 HA3 GLY 11 29.403 4.803 -3.100
71 HA PRO 12 HA PRO 12 33.927 4.298 -2.946
72 HB2 PRO 12 HB2 PRO 12 33.612 6.586 -4.850
73 HB3 PRO 12 HB3 PRO 12 34.621 5.143 -4.999
74 HG2 PRO 12 HG2 PRO 12 32.350 5.356 -6.364
75 HG3 PRO 12 HG3 PRO 12 32.841 3.807 -5.652
76 HD2 PRO 12 HD2 PRO 12 30.731 5.714 -4.770
77 HD3 PRO 12 HD3 PRO 12 30.792 3.943 -4.642
78 H SER 13 H SER 13 32.140 7.350 -2.727
79 HA SER 13 HA SER 13 34.156 9.059 -1.882
80 HB2 SER 13 HB2 SER 13 31.804 9.712 -2.488
81 HB3 SER 13 HB3 SER 13 31.296 9.141 -0.899
82 HG SER 13 HG SER 13 32.776 11.396 -1.600
83 H SER 14 H SER 14 32.182 6.821 0.044
84 HA SER 14 HA SER 14 32.897 7.623 2.595
85 HB2 SER 14 HB2 SER 14 32.186 5.472 3.339
86 HB3 SER 14 HB3 SER 14 31.182 5.876 1.953
87 HG SER 14 HG SER 14 31.886 3.785 1.693
88 H GLY 15 H GLY 15 34.662 5.537 0.339
89 HA2 GLY 15 HA2 GLY 15 37.009 5.340 0.285
90 HA3 GLY 15 HA3 GLY 15 37.079 5.952 1.929
91 H ARG 16 H ARG 16 34.733 3.508 1.525
92 HA ARG 16 HA ARG 16 36.554 1.564 2.772
93 HB2 ARG 16 HB2 ARG 16 33.667 0.992 2.862
94 HB3 ARG 16 HB3 ARG 16 34.879 0.863 4.124
95 HG2 ARG 16 HG2 ARG 16 34.620 3.583 3.809
96 HG3 ARG 16 HG3 ARG 16 32.975 2.991 3.559
97 HD2 ARG 16 HD2 ARG 16 34.748 2.445 5.935
98 HD3 ARG 16 HD3 ARG 16 33.329 3.489 5.901
99 HE ARG 16 HE ARG 16 32.161 1.270 5.236
100 HH11 ARG 16 HH11 ARG 16 34.751 1.616 7.575
101 HH12 ARG 16 HH12 ARG 16 34.273 0.225 8.485
102 HH21 ARG 16 HH21 ARG 16 31.545 -0.558 6.440
103 HH22 ARG 16 HH22 ARG 16 32.456 -1.010 7.843
104 HA PRO 17 HA PRO 17 36.128 -1.158 -0.677
105 HB2 PRO 17 HB2 PRO 17 36.240 -3.600 0.488
106 HB3 PRO 17 HB3 PRO 17 37.649 -2.540 0.366
107 HG2 PRO 17 HG2 PRO 17 35.828 -3.014 2.693
108 HG3 PRO 17 HG3 PRO 17 37.595 -2.868 2.665
109 HD2 PRO 17 HD2 PRO 17 35.945 -0.834 3.403
110 HD3 PRO 17 HD3 PRO 17 37.529 -0.572 2.646
111 HA PRO 18 HA PRO 18 31.712 -1.867 -0.879
112 HB2 PRO 18 HB2 PRO 18 31.719 -3.219 -3.292
113 HB3 PRO 18 HB3 PRO 18 31.754 -1.458 -3.143
114 HG2 PRO 18 HG2 PRO 18 34.002 -3.368 -3.617
115 HG3 PRO 18 HG3 PRO 18 33.707 -1.778 -4.344
116 HD2 PRO 18 HD2 PRO 18 35.506 -2.126 -2.378
117 HD3 PRO 18 HD3 PRO 18 34.539 -0.643 -2.507
118 HA PRO 19 HA PRO 19 31.721 -5.888 1.164
119 HB2 PRO 19 HB2 PRO 19 28.797 -5.496 0.671
120 HB3 PRO 19 HB3 PRO 19 29.625 -5.971 2.159
121 HG2 PRO 19 HG2 PRO 19 28.708 -3.496 1.855
122 HG3 PRO 19 HG3 PRO 19 30.265 -3.794 2.649
123 HD2 PRO 19 HD2 PRO 19 29.701 -2.757 -0.087
124 HD3 PRO 19 HD3 PRO 19 31.023 -2.354 1.027
125 H SER 20 H SER 20 31.616 -7.971 0.472
126 HA SER 20 HA SER 20 30.752 -8.410 -2.300
127 HB2 SER 20 HB2 SER 20 32.547 -10.106 -0.542
128 HB3 SER 20 HB3 SER 20 32.174 -10.417 -2.237
129 HG SER 20 HG SER 20 33.879 -8.553 -1.104
130 H GLY 21 H GLY 21 28.690 -8.211 -0.501
131 HA2 GLY 21 HA2 GLY 21 27.771 -11.012 -0.278
132 HA3 GLY 21 HA3 GLY 21 27.411 -9.809 0.951
Start of MODEL 17
1 H1 GLY -1 H GLY -1 25.475 -8.470 -1.191
2 HA2 GLY -1 HA2 GLY -1 23.828 -9.866 0.545
3 HA3 GLY -1 HA3 GLY -1 25.192 -9.304 1.503
4 H ASP 1 H ASP 1 23.364 -8.152 2.623
5 HA ASP 1 HA ASP 1 22.209 -5.894 1.242
6 HB2 ASP 1 HB2 ASP 1 22.061 -6.793 4.123
7 HB3 ASP 1 HB3 ASP 1 21.215 -5.383 3.492
8 H ALA 2 H ALA 2 25.252 -6.333 2.404
9 HA ALA 2 HA ALA 2 25.675 -3.959 3.910
10 HB1 ALA 2 HB1 ALA 2 27.191 -5.848 4.102
11 HB2 ALA 2 HB2 ALA 2 28.063 -4.408 3.580
12 HB3 ALA 2 HB3 ALA 2 27.661 -5.665 2.412
13 H TYR 3 H TYR 3 25.769 -4.717 0.477
14 HA TYR 3 HA TYR 3 27.151 -2.461 -0.447
15 HB2 TYR 3 HB2 TYR 3 26.447 -4.562 -1.746
16 HB3 TYR 3 HB3 TYR 3 24.894 -3.762 -1.962
17 HD1 TYR 3 HD1 TYR 3 28.527 -3.460 -2.665
18 HD2 TYR 3 HD2 TYR 3 24.606 -2.099 -3.614
19 HE1 TYR 3 HE1 TYR 3 29.418 -2.262 -4.616
20 HE2 TYR 3 HE2 TYR 3 25.492 -0.897 -5.567
21 HH TYR 3 HH TYR 3 27.992 -1.411 -7.068
22 H ALA 4 H ALA 4 23.762 -2.902 0.430
23 HA ALA 4 HA ALA 4 22.700 -0.557 -0.669
24 HB1 ALA 4 HB1 ALA 4 20.852 -0.845 0.820
25 HB2 ALA 4 HB2 ALA 4 21.817 -1.836 1.914
26 HB3 ALA 4 HB3 ALA 4 21.390 -2.448 0.316
27 H GLN 5 H GLN 5 24.089 -1.149 2.560
28 HA GLN 5 HA GLN 5 23.799 1.538 3.454
29 HB2 GLN 5 HB2 GLN 5 25.051 -0.939 4.457
30 HB3 GLN 5 HB3 GLN 5 25.806 0.551 5.011
31 HG2 GLN 5 HG2 GLN 5 22.847 0.279 5.187
32 HG3 GLN 5 HG3 GLN 5 23.862 -0.562 6.359
33 HE21 GLN 5 HE21 GLN 5 24.594 0.543 8.061
34 HE22 GLN 5 HE22 GLN 5 24.489 2.256 8.259
35 H TRP 6 H TRP 6 26.320 -0.240 1.783
36 HA TRP 6 HA TRP 6 28.462 1.528 2.088
37 HB2 TRP 6 HB2 TRP 6 28.630 -0.758 1.134
38 HB3 TRP 6 HB3 TRP 6 27.818 -0.192 -0.321
39 HD1 TRP 6 HD1 TRP 6 31.056 0.630 1.663
40 HE1 TRP 6 HE1 TRP 6 32.876 1.273 -0.035
41 HE3 TRP 6 HE3 TRP 6 28.294 0.369 -2.630
42 HZ2 TRP 6 HZ2 TRP 6 33.111 1.621 -2.829
43 HZ3 TRP 6 HZ3 TRP 6 29.398 0.870 -4.772
44 HH2 TRP 6 HH2 TRP 6 31.761 1.483 -4.859
45 H LEU 7 H LEU 7 25.932 1.410 -0.416
46 HA LEU 7 HA LEU 7 26.867 3.659 -1.872
47 HB2 LEU 7 HB2 LEU 7 24.156 2.343 -1.727
48 HB3 LEU 7 HB3 LEU 7 24.525 3.661 -2.819
49 HG LEU 7 HG LEU 7 25.916 0.980 -2.840
50 HD11 LEU 7 HD11 LEU 7 23.480 1.988 -4.189
51 HD12 LEU 7 HD12 LEU 7 23.893 0.359 -3.657
52 HD13 LEU 7 HD13 LEU 7 24.592 1.005 -5.141
53 HD21 LEU 7 HD21 LEU 7 26.473 1.907 -5.218
54 HD22 LEU 7 HD22 LEU 7 27.440 2.400 -3.830
55 HD23 LEU 7 HD23 LEU 7 26.193 3.475 -4.462
56 H ALA 8 H ALA 8 24.611 3.253 0.808
57 HA ALA 8 HA ALA 8 23.496 5.831 0.822
58 HB1 ALA 8 HB1 ALA 8 23.173 3.533 2.307
59 HB2 ALA 8 HB2 ALA 8 22.336 5.066 2.549
60 HB3 ALA 8 HB3 ALA 8 23.792 4.701 3.475
61 H ASP 9 H ASP 9 26.579 4.644 1.959
62 HA ASP 9 HA ASP 9 27.129 7.055 3.488
63 HB2 ASP 9 HB2 ASP 9 27.918 4.510 3.870
64 HB3 ASP 9 HB3 ASP 9 29.293 5.097 2.940
65 H GLY 10 H GLY 10 26.824 6.927 0.408
66 HA2 GLY 10 HA2 GLY 10 27.651 8.452 -1.151
67 HA3 GLY 10 HA3 GLY 10 29.049 8.716 -0.124
68 H GLY 11 H GLY 11 28.321 5.401 -0.705
69 HA2 GLY 11 HA2 GLY 11 29.435 3.777 -1.883
70 HA3 GLY 11 HA3 GLY 11 29.498 4.955 -3.184
71 HA PRO 12 HA PRO 12 33.959 4.145 -2.649
72 HB2 PRO 12 HB2 PRO 12 33.947 6.429 -4.581
73 HB3 PRO 12 HB3 PRO 12 34.872 4.924 -4.638
74 HG2 PRO 12 HG2 PRO 12 32.740 5.269 -6.189
75 HG3 PRO 12 HG3 PRO 12 33.076 3.699 -5.438
76 HD2 PRO 12 HD2 PRO 12 31.018 5.732 -4.740
77 HD3 PRO 12 HD3 PRO 12 30.961 3.962 -4.604
78 H SER 13 H SER 13 32.360 7.315 -2.599
79 HA SER 13 HA SER 13 34.415 8.884 -1.587
80 HB2 SER 13 HB2 SER 13 32.193 9.706 -2.416
81 HB3 SER 13 HB3 SER 13 31.489 9.187 -0.885
82 HG SER 13 HG SER 13 33.301 11.270 -1.402
83 H SER 14 H SER 14 32.265 6.673 0.118
84 HA SER 14 HA SER 14 32.625 7.484 2.737
85 HB2 SER 14 HB2 SER 14 31.933 5.289 3.381
86 HB3 SER 14 HB3 SER 14 31.073 5.680 1.896
87 HG SER 14 HG SER 14 32.208 4.209 0.832
88 H GLY 15 H GLY 15 34.813 5.671 0.663
89 HA2 GLY 15 HA2 GLY 15 37.145 5.558 0.960
90 HA3 GLY 15 HA3 GLY 15 36.933 6.020 2.642
91 H ARG 16 H ARG 16 34.935 3.505 1.330
92 HA ARG 16 HA ARG 16 36.612 1.451 2.592
93 HB2 ARG 16 HB2 ARG 16 34.950 1.766 4.217
94 HB3 ARG 16 HB3 ARG 16 33.698 2.055 3.020
95 HG2 ARG 16 HG2 ARG 16 33.045 -0.040 3.260
96 HG3 ARG 16 HG3 ARG 16 34.587 -0.579 2.600
97 HD2 ARG 16 HD2 ARG 16 35.160 -1.416 4.574
98 HD3 ARG 16 HD3 ARG 16 34.983 0.173 5.316
99 HE ARG 16 HE ARG 16 32.473 -1.147 4.967
100 HH11 ARG 16 HH11 ARG 16 35.285 -0.967 7.044
101 HH12 ARG 16 HH12 ARG 16 34.438 -1.530 8.445
102 HH21 ARG 16 HH21 ARG 16 31.362 -1.888 6.815
103 HH22 ARG 16 HH22 ARG 16 32.212 -2.054 8.316
104 HA PRO 17 HA PRO 17 35.970 -0.660 -1.263
105 HB2 PRO 17 HB2 PRO 17 36.379 -3.242 -0.525
106 HB3 PRO 17 HB3 PRO 17 37.690 -2.068 -0.689
107 HG2 PRO 17 HG2 PRO 17 36.298 -3.026 1.776
108 HG3 PRO 17 HG3 PRO 17 38.022 -2.714 1.512
109 HD2 PRO 17 HD2 PRO 17 36.375 -0.983 2.801
110 HD3 PRO 17 HD3 PRO 17 37.796 -0.458 1.875
111 HA PRO 18 HA PRO 18 31.697 -1.820 -1.402
112 HB2 PRO 18 HB2 PRO 18 31.797 -3.466 -3.635
113 HB3 PRO 18 HB3 PRO 18 31.693 -1.703 -3.695
114 HG2 PRO 18 HG2 PRO 18 34.086 -3.475 -3.958
115 HG3 PRO 18 HG3 PRO 18 33.670 -2.007 -4.862
116 HD2 PRO 18 HD2 PRO 18 35.490 -1.964 -2.897
117 HD3 PRO 18 HD3 PRO 18 34.377 -0.603 -3.154
118 HA PRO 19 HA PRO 19 31.958 -5.629 1.028
119 HB2 PRO 19 HB2 PRO 19 28.998 -5.330 0.847
120 HB3 PRO 19 HB3 PRO 19 30.011 -5.572 2.274
121 HG2 PRO 19 HG2 PRO 19 28.950 -3.190 1.748
122 HG3 PRO 19 HG3 PRO 19 30.594 -3.331 2.399
123 HD2 PRO 19 HD2 PRO 19 29.703 -2.732 -0.389
124 HD3 PRO 19 HD3 PRO 19 31.077 -2.081 0.527
125 H SER 20 H SER 20 30.987 -7.812 0.894
126 HA SER 20 HA SER 20 30.934 -8.735 -1.820
127 HB2 SER 20 HB2 SER 20 31.840 -9.904 0.367
128 HB3 SER 20 HB3 SER 20 30.184 -10.499 0.482
129 HG SER 20 HG SER 20 32.144 -11.028 -1.451
130 H GLY 21 H GLY 21 29.144 -10.743 -1.978
131 HA2 GLY 21 HA2 GLY 21 26.741 -9.459 -2.649
132 HA3 GLY 21 HA3 GLY 21 26.964 -11.197 -2.523
Start of MODEL 18
1 H1 GLY -1 H GLY -1 24.910 -9.261 -1.378
2 HA2 GLY -1 HA2 GLY -1 23.867 -9.786 0.787
3 HA3 GLY -1 HA3 GLY -1 25.314 -9.138 1.544
4 H ASP 1 H ASP 1 22.945 -8.162 2.372
5 HA ASP 1 HA ASP 1 22.001 -5.899 0.946
6 HB2 ASP 1 HB2 ASP 1 21.748 -6.657 3.862
7 HB3 ASP 1 HB3 ASP 1 20.906 -5.300 3.121
8 H ALA 2 H ALA 2 24.852 -6.353 2.767
9 HA ALA 2 HA ALA 2 25.255 -3.897 3.999
10 HB1 ALA 2 HB1 ALA 2 27.665 -4.374 3.824
11 HB2 ALA 2 HB2 ALA 2 27.309 -5.690 2.706
12 HB3 ALA 2 HB3 ALA 2 26.744 -5.772 4.376
13 H TYR 3 H TYR 3 25.584 -4.776 0.604
14 HA TYR 3 HA TYR 3 27.062 -2.579 -0.295
15 HB2 TYR 3 HB2 TYR 3 26.469 -4.662 -1.606
16 HB3 TYR 3 HB3 TYR 3 24.883 -3.946 -1.874
17 HD1 TYR 3 HD1 TYR 3 28.518 -3.354 -2.419
18 HD2 TYR 3 HD2 TYR 3 24.543 -2.440 -3.637
19 HE1 TYR 3 HE1 TYR 3 29.399 -2.136 -4.364
20 HE2 TYR 3 HE2 TYR 3 25.415 -1.222 -5.585
21 HH TYR 3 HH TYR 3 27.858 -1.463 -6.970
22 H ALA 4 H ALA 4 23.582 -2.935 0.240
23 HA ALA 4 HA ALA 4 22.720 -0.550 -0.942
24 HB1 ALA 4 HB1 ALA 4 20.707 -0.794 0.317
25 HB2 ALA 4 HB2 ALA 4 21.510 -1.814 1.512
26 HB3 ALA 4 HB3 ALA 4 21.256 -2.411 -0.128
27 H GLN 5 H GLN 5 23.839 -1.212 2.365
28 HA GLN 5 HA GLN 5 23.473 1.462 3.296
29 HB2 GLN 5 HB2 GLN 5 24.873 -0.971 4.355
30 HB3 GLN 5 HB3 GLN 5 25.118 0.588 5.129
31 HG2 GLN 5 HG2 GLN 5 22.822 0.774 5.685
32 HG3 GLN 5 HG3 GLN 5 22.398 -0.599 4.665
33 HE21 GLN 5 HE21 GLN 5 21.452 -1.775 6.298
34 HE22 GLN 5 HE22 GLN 5 22.352 -2.475 7.596
35 H TRP 6 H TRP 6 26.146 -0.332 1.873
36 HA TRP 6 HA TRP 6 28.241 1.447 2.403
37 HB2 TRP 6 HB2 TRP 6 28.640 -0.802 1.524
38 HB3 TRP 6 HB3 TRP 6 27.824 -0.381 0.022
39 HD1 TRP 6 HD1 TRP 6 30.970 0.755 2.007
40 HE1 TRP 6 HE1 TRP 6 32.765 1.441 0.296
41 HE3 TRP 6 HE3 TRP 6 28.294 0.114 -2.304
42 HZ2 TRP 6 HZ2 TRP 6 33.019 1.674 -2.505
43 HZ3 TRP 6 HZ3 TRP 6 29.392 0.590 -4.455
44 HH2 TRP 6 HH2 TRP 6 31.710 1.354 -4.542
45 H LEU 7 H LEU 7 25.950 1.324 -0.318
46 HA LEU 7 HA LEU 7 27.040 3.499 -1.758
47 HB2 LEU 7 HB2 LEU 7 24.254 2.340 -1.714
48 HB3 LEU 7 HB3 LEU 7 24.764 3.587 -2.833
49 HG LEU 7 HG LEU 7 25.987 0.829 -2.672
50 HD11 LEU 7 HD11 LEU 7 24.798 0.730 -4.995
51 HD12 LEU 7 HD12 LEU 7 23.738 1.943 -4.277
52 HD13 LEU 7 HD13 LEU 7 23.908 0.361 -3.517
53 HD21 LEU 7 HD21 LEU 7 27.634 2.150 -3.624
54 HD22 LEU 7 HD22 LEU 7 26.473 3.220 -4.409
55 HD23 LEU 7 HD23 LEU 7 26.741 1.595 -5.037
56 H ALA 8 H ALA 8 24.569 3.284 0.762
57 HA ALA 8 HA ALA 8 23.654 5.943 0.654
58 HB1 ALA 8 HB1 ALA 8 22.206 4.988 2.026
59 HB2 ALA 8 HB2 ALA 8 23.408 5.153 3.306
60 HB3 ALA 8 HB3 ALA 8 23.310 3.657 2.375
61 H ASP 9 H ASP 9 26.474 4.505 2.163
62 HA ASP 9 HA ASP 9 27.077 6.789 3.798
63 HB2 ASP 9 HB2 ASP 9 27.749 4.300 4.162
64 HB3 ASP 9 HB3 ASP 9 29.086 4.676 3.080
65 H GLY 10 H GLY 10 27.236 6.421 0.515
66 HA2 GLY 10 HA2 GLY 10 28.068 8.352 -0.716
67 HA3 GLY 10 HA3 GLY 10 29.472 8.336 0.334
68 H GLY 11 H GLY 11 28.736 5.151 -0.450
69 HA2 GLY 11 HA2 GLY 11 29.744 3.622 -1.828
70 HA3 GLY 11 HA3 GLY 11 29.665 4.868 -3.062
71 HA PRO 12 HA PRO 12 34.168 4.027 -2.867
72 HB2 PRO 12 HB2 PRO 12 33.994 6.175 -4.939
73 HB3 PRO 12 HB3 PRO 12 34.905 4.661 -4.974
74 HG2 PRO 12 HG2 PRO 12 32.653 4.924 -6.364
75 HG3 PRO 12 HG3 PRO 12 33.042 3.404 -5.542
76 HD2 PRO 12 HD2 PRO 12 31.068 5.509 -4.800
77 HD3 PRO 12 HD3 PRO 12 30.995 3.751 -4.565
78 H SER 13 H SER 13 32.601 7.221 -2.973
79 HA SER 13 HA SER 13 34.777 8.762 -2.115
80 HB2 SER 13 HB2 SER 13 32.632 9.631 -3.103
81 HB3 SER 13 HB3 SER 13 31.867 9.347 -1.540
82 HG SER 13 HG SER 13 33.821 11.228 -2.258
83 H SER 14 H SER 14 32.422 6.892 -0.277
84 HA SER 14 HA SER 14 32.787 7.963 2.255
85 HB2 SER 14 HB2 SER 14 31.794 5.999 3.104
86 HB3 SER 14 HB3 SER 14 31.107 6.182 1.496
87 HG SER 14 HG SER 14 32.295 4.510 0.783
88 H GLY 15 H GLY 15 34.848 5.751 0.461
89 HA2 GLY 15 HA2 GLY 15 37.147 5.454 0.866
90 HA3 GLY 15 HA3 GLY 15 36.927 6.103 2.483
91 H ARG 16 H ARG 16 34.689 3.697 1.441
92 HA ARG 16 HA ARG 16 36.089 1.667 3.052
93 HB2 ARG 16 HB2 ARG 16 33.912 2.750 3.954
94 HB3 ARG 16 HB3 ARG 16 33.098 1.794 2.728
95 HG2 ARG 16 HG2 ARG 16 33.381 -0.138 3.848
96 HG3 ARG 16 HG3 ARG 16 34.967 0.329 4.471
97 HD2 ARG 16 HD2 ARG 16 34.012 0.741 6.427
98 HD3 ARG 16 HD3 ARG 16 33.148 2.078 5.673
99 HE ARG 16 HE ARG 16 31.410 0.320 5.115
100 HH11 ARG 16 HH11 ARG 16 33.442 0.087 7.969
101 HH12 ARG 16 HH12 ARG 16 32.284 -0.838 8.858
102 HH21 ARG 16 HH21 ARG 16 29.897 -0.893 6.307
103 HH22 ARG 16 HH22 ARG 16 30.279 -1.394 7.921
104 HA PRO 17 HA PRO 17 35.839 -0.821 -0.625
105 HB2 PRO 17 HB2 PRO 17 36.102 -3.313 0.394
106 HB3 PRO 17 HB3 PRO 17 37.446 -2.169 0.314
107 HG2 PRO 17 HG2 PRO 17 35.725 -2.915 2.635
108 HG3 PRO 17 HG3 PRO 17 37.468 -2.599 2.584
109 HD2 PRO 17 HD2 PRO 17 35.605 -0.791 3.455
110 HD3 PRO 17 HD3 PRO 17 37.186 -0.344 2.788
111 HA PRO 18 HA PRO 18 31.508 -1.837 -0.919
112 HB2 PRO 18 HB2 PRO 18 31.609 -3.093 -3.368
113 HB3 PRO 18 HB3 PRO 18 31.601 -1.336 -3.167
114 HG2 PRO 18 HG2 PRO 18 33.905 -3.180 -3.645
115 HG3 PRO 18 HG3 PRO 18 33.583 -1.582 -4.342
116 HD2 PRO 18 HD2 PRO 18 35.348 -1.946 -2.339
117 HD3 PRO 18 HD3 PRO 18 34.368 -0.472 -2.477
118 HA PRO 19 HA PRO 19 31.697 -5.927 0.994
119 HB2 PRO 19 HB2 PRO 19 28.760 -5.617 0.507
120 HB3 PRO 19 HB3 PRO 19 29.600 -6.130 1.975
121 HG2 PRO 19 HG2 PRO 19 28.599 -3.676 1.778
122 HG3 PRO 19 HG3 PRO 19 30.163 -3.957 2.567
123 HD2 PRO 19 HD2 PRO 19 29.575 -2.805 -0.117
124 HD3 PRO 19 HD3 PRO 19 30.886 -2.423 1.014
125 H SER 20 H SER 20 31.612 -8.004 0.230
126 HA SER 20 HA SER 20 31.025 -8.322 -2.608
127 HB2 SER 20 HB2 SER 20 32.962 -9.404 -0.855
128 HB3 SER 20 HB3 SER 20 31.948 -10.752 -1.366
129 HG SER 20 HG SER 20 32.612 -10.514 -3.379
130 H GLY 21 H GLY 21 28.696 -8.191 -2.399
131 HA2 GLY 21 HA2 GLY 21 26.709 -9.379 -2.622
132 HA3 GLY 21 HA3 GLY 21 27.513 -10.800 -1.976
Start of MODEL 19
1 H1 GLY -1 H GLY -1 24.616 -10.211 -0.213
2 HA2 GLY -1 HA2 GLY -1 23.499 -7.756 -1.343
3 HA3 GLY -1 HA3 GLY -1 22.629 -9.251 -1.041
4 H ASP 1 H ASP 1 24.321 -6.663 0.730
5 HA ASP 1 HA ASP 1 22.107 -5.953 2.305
6 HB2 ASP 1 HB2 ASP 1 23.558 -8.262 3.283
7 HB3 ASP 1 HB3 ASP 1 23.650 -6.936 4.439
8 H ALA 2 H ALA 2 25.635 -6.350 2.912
9 HA ALA 2 HA ALA 2 25.918 -3.845 4.179
10 HB1 ALA 2 HB1 ALA 2 28.015 -5.538 2.821
11 HB2 ALA 2 HB2 ALA 2 27.535 -5.623 4.517
12 HB3 ALA 2 HB3 ALA 2 28.334 -4.179 3.897
13 H TYR 3 H TYR 3 26.017 -4.798 0.806
14 HA TYR 3 HA TYR 3 27.301 -2.518 -0.242
15 HB2 TYR 3 HB2 TYR 3 26.812 -4.735 -1.420
16 HB3 TYR 3 HB3 TYR 3 25.190 -4.108 -1.691
17 HD1 TYR 3 HD1 TYR 3 28.776 -3.543 -2.431
18 HD2 TYR 3 HD2 TYR 3 24.758 -2.540 -3.418
19 HE1 TYR 3 HE1 TYR 3 29.564 -2.392 -4.455
20 HE2 TYR 3 HE2 TYR 3 25.538 -1.386 -5.442
21 HH TYR 3 HH TYR 3 28.057 -1.789 -6.939
22 H ALA 4 H ALA 4 23.925 -3.171 0.569
23 HA ALA 4 HA ALA 4 22.720 -0.988 -0.692
24 HB1 ALA 4 HB1 ALA 4 21.377 -2.743 0.242
25 HB2 ALA 4 HB2 ALA 4 20.942 -1.228 1.033
26 HB3 ALA 4 HB3 ALA 4 21.969 -2.394 1.867
27 H GLN 5 H GLN 5 24.108 -1.244 2.578
28 HA GLN 5 HA GLN 5 23.606 1.502 3.223
29 HB2 GLN 5 HB2 GLN 5 25.223 -0.678 4.525
30 HB3 GLN 5 HB3 GLN 5 25.230 0.969 5.142
31 HG2 GLN 5 HG2 GLN 5 22.558 0.460 4.909
32 HG3 GLN 5 HG3 GLN 5 23.200 -1.117 5.364
33 HE21 GLN 5 HE21 GLN 5 23.839 -1.458 7.426
34 HE22 GLN 5 HE22 GLN 5 23.785 -0.263 8.672
35 H TRP 6 H TRP 6 26.263 -0.304 1.833
36 HA TRP 6 HA TRP 6 28.358 1.508 2.160
37 HB2 TRP 6 HB2 TRP 6 28.628 -0.804 1.324
38 HB3 TRP 6 HB3 TRP 6 27.848 -0.343 -0.183
39 HD1 TRP 6 HD1 TRP 6 31.040 0.570 1.835
40 HE1 TRP 6 HE1 TRP 6 32.872 1.217 0.151
41 HE3 TRP 6 HE3 TRP 6 28.335 0.233 -2.489
42 HZ2 TRP 6 HZ2 TRP 6 33.138 1.535 -2.643
43 HZ3 TRP 6 HZ3 TRP 6 29.458 0.722 -4.626
44 HH2 TRP 6 HH2 TRP 6 31.816 1.359 -4.689
45 H LEU 7 H LEU 7 25.926 1.288 -0.434
46 HA LEU 7 HA LEU 7 26.932 3.465 -1.958
47 HB2 LEU 7 HB2 LEU 7 24.209 2.169 -1.842
48 HB3 LEU 7 HB3 LEU 7 24.607 3.452 -2.965
49 HG LEU 7 HG LEU 7 25.998 0.774 -2.868
50 HD11 LEU 7 HD11 LEU 7 23.661 1.769 -4.436
51 HD12 LEU 7 HD12 LEU 7 23.896 0.217 -3.633
52 HD13 LEU 7 HD13 LEU 7 24.754 0.574 -5.132
53 HD21 LEU 7 HD21 LEU 7 27.540 2.159 -3.873
54 HD22 LEU 7 HD22 LEU 7 26.308 3.214 -4.564
55 HD23 LEU 7 HD23 LEU 7 26.600 1.624 -5.265
56 H ALA 8 H ALA 8 24.485 3.189 0.583
57 HA ALA 8 HA ALA 8 23.482 5.812 0.450
58 HB1 ALA 8 HB1 ALA 8 23.348 4.925 3.132
59 HB2 ALA 8 HB2 ALA 8 23.103 3.526 2.087
60 HB3 ALA 8 HB3 ALA 8 22.076 4.948 1.912
61 H ASP 9 H ASP 9 26.411 4.542 1.852
62 HA ASP 9 HA ASP 9 26.885 6.923 3.444
63 HB2 ASP 9 HB2 ASP 9 27.563 4.406 3.934
64 HB3 ASP 9 HB3 ASP 9 28.996 4.856 3.014
65 H GLY 10 H GLY 10 26.853 6.807 0.330
66 HA2 GLY 10 HA2 GLY 10 27.831 8.395 -1.093
67 HA3 GLY 10 HA3 GLY 10 29.168 8.554 0.032
68 H GLY 11 H GLY 11 28.547 5.280 -0.517
69 HA2 GLY 11 HA2 GLY 11 29.695 3.659 -1.666
70 HA3 GLY 11 HA3 GLY 11 29.692 4.794 -3.006
71 HA PRO 12 HA PRO 12 34.188 4.147 -2.505
72 HB2 PRO 12 HB2 PRO 12 34.066 6.311 -4.568
73 HB3 PRO 12 HB3 PRO 12 35.042 4.837 -4.552
74 HG2 PRO 12 HG2 PRO 12 32.878 5.009 -6.082
75 HG3 PRO 12 HG3 PRO 12 33.270 3.504 -5.231
76 HD2 PRO 12 HD2 PRO 12 31.175 5.535 -4.627
77 HD3 PRO 12 HD3 PRO 12 31.153 3.774 -4.394
78 H SER 13 H SER 13 32.471 7.253 -2.568
79 HA SER 13 HA SER 13 34.467 8.980 -1.742
80 HB2 SER 13 HB2 SER 13 32.140 9.624 -2.430
81 HB3 SER 13 HB3 SER 13 31.583 9.120 -0.834
82 HG SER 13 HG SER 13 32.425 10.865 0.020
83 H SER 14 H SER 14 32.423 6.877 0.261
84 HA SER 14 HA SER 14 33.141 7.824 2.774
85 HB2 SER 14 HB2 SER 14 32.287 5.764 3.637
86 HB3 SER 14 HB3 SER 14 31.310 6.179 2.235
87 HG SER 14 HG SER 14 32.087 4.503 1.182
88 H GLY 15 H GLY 15 34.888 5.687 0.598
89 HA2 GLY 15 HA2 GLY 15 37.211 5.313 0.677
90 HA3 GLY 15 HA3 GLY 15 37.222 5.867 2.345
91 H ARG 16 H ARG 16 34.828 3.557 1.382
92 HA ARG 16 HA ARG 16 36.303 1.439 2.799
93 HB2 ARG 16 HB2 ARG 16 34.233 2.371 3.923
94 HB3 ARG 16 HB3 ARG 16 33.299 1.719 2.585
95 HG2 ARG 16 HG2 ARG 16 33.693 -0.479 3.219
96 HG3 ARG 16 HG3 ARG 16 35.087 -0.044 4.213
97 HD2 ARG 16 HD2 ARG 16 33.681 -0.154 5.945
98 HD3 ARG 16 HD3 ARG 16 33.052 1.387 5.368
99 HE ARG 16 HE ARG 16 31.826 -0.937 4.174
100 HH11 ARG 16 HH11 ARG 16 31.697 1.367 6.808
101 HH12 ARG 16 HH12 ARG 16 30.012 1.111 7.112
102 HH21 ARG 16 HH21 ARG 16 29.606 -1.270 4.580
103 HH22 ARG 16 HH22 ARG 16 28.824 -0.387 5.848
104 HA PRO 17 HA PRO 17 35.969 -0.852 -1.001
105 HB2 PRO 17 HB2 PRO 17 36.274 -3.390 -0.112
106 HB3 PRO 17 HB3 PRO 17 37.610 -2.239 -0.182
107 HG2 PRO 17 HG2 PRO 17 35.958 -3.086 2.158
108 HG3 PRO 17 HG3 PRO 17 37.703 -2.791 2.064
109 HD2 PRO 17 HD2 PRO 17 35.919 -1.001 3.089
110 HD3 PRO 17 HD3 PRO 17 37.460 -0.532 2.344
111 HA PRO 18 HA PRO 18 31.632 -1.856 -1.244
112 HB2 PRO 18 HB2 PRO 18 31.713 -3.148 -3.688
113 HB3 PRO 18 HB3 PRO 18 31.670 -1.391 -3.497
114 HG2 PRO 18 HG2 PRO 18 34.005 -3.188 -3.997
115 HG3 PRO 18 HG3 PRO 18 33.641 -1.600 -4.697
116 HD2 PRO 18 HD2 PRO 18 35.444 -1.898 -2.729
117 HD3 PRO 18 HD3 PRO 18 34.402 -0.463 -2.829
118 HA PRO 19 HA PRO 19 32.048 -5.991 0.608
119 HB2 PRO 19 HB2 PRO 19 29.110 -5.560 0.856
120 HB3 PRO 19 HB3 PRO 19 30.276 -6.049 2.090
121 HG2 PRO 19 HG2 PRO 19 29.279 -3.580 2.054
122 HG3 PRO 19 HG3 PRO 19 30.977 -3.873 2.474
123 HD2 PRO 19 HD2 PRO 19 29.806 -2.829 -0.067
124 HD3 PRO 19 HD3 PRO 19 31.306 -2.369 0.758
125 H SER 20 H SER 20 31.525 -8.059 -0.058
126 HA SER 20 HA SER 20 30.219 -8.252 -2.677
127 HB2 SER 20 HB2 SER 20 32.582 -9.163 -2.228
128 HB3 SER 20 HB3 SER 20 31.782 -10.449 -1.325
129 HG SER 20 HG SER 20 31.784 -9.926 -4.066
130 H GLY 21 H GLY 21 28.252 -7.865 -1.068
131 HA2 GLY 21 HA2 GLY 21 26.903 -10.424 -0.915
132 HA3 GLY 21 HA3 GLY 21 27.160 -9.646 0.638
Start of MODEL 20
1 H1 GLY -1 H GLY -1 24.963 -9.929 0.393
2 HA2 GLY -1 HA2 GLY -1 23.665 -7.876 -1.294
3 HA3 GLY -1 HA3 GLY -1 22.876 -9.399 -0.914
4 H ASP 1 H ASP 1 24.472 -6.697 0.779
5 HA ASP 1 HA ASP 1 22.214 -5.935 2.261
6 HB2 ASP 1 HB2 ASP 1 23.577 -8.233 3.348
7 HB3 ASP 1 HB3 ASP 1 23.715 -6.877 4.464
8 H ALA 2 H ALA 2 25.722 -6.329 2.981
9 HA ALA 2 HA ALA 2 26.015 -3.832 4.225
10 HB1 ALA 2 HB1 ALA 2 27.653 -5.589 4.528
11 HB2 ALA 2 HB2 ALA 2 28.434 -4.146 3.884
12 HB3 ALA 2 HB3 ALA 2 28.092 -5.512 2.821
13 H TYR 3 H TYR 3 26.113 -4.753 0.838
14 HA TYR 3 HA TYR 3 27.371 -2.471 -0.203
15 HB2 TYR 3 HB2 TYR 3 26.909 -4.605 -1.449
16 HB3 TYR 3 HB3 TYR 3 25.229 -4.094 -1.581
17 HD1 TYR 3 HD1 TYR 3 28.688 -2.921 -2.368
18 HD2 TYR 3 HD2 TYR 3 24.563 -2.843 -3.418
19 HE1 TYR 3 HE1 TYR 3 29.233 -1.649 -4.398
20 HE2 TYR 3 HE2 TYR 3 25.100 -1.571 -5.451
21 HH TYR 3 HH TYR 3 27.435 0.121 -6.001
22 H ALA 4 H ALA 4 24.011 -3.068 0.690
23 HA ALA 4 HA ALA 4 22.816 -0.852 -0.529
24 HB1 ALA 4 HB1 ALA 4 20.991 -1.160 0.981
25 HB2 ALA 4 HB2 ALA 4 22.014 -2.019 2.133
26 HB3 ALA 4 HB3 ALA 4 21.623 -2.757 0.580
27 H GLN 5 H GLN 5 24.336 -1.176 2.668
28 HA GLN 5 HA GLN 5 23.871 1.547 3.413
29 HB2 GLN 5 HB2 GLN 5 25.032 -0.826 4.625
30 HB3 GLN 5 HB3 GLN 5 25.984 0.611 4.973
31 HG2 GLN 5 HG2 GLN 5 23.610 1.617 5.536
32 HG3 GLN 5 HG3 GLN 5 23.218 -0.083 5.791
33 HE21 GLN 5 HE21 GLN 5 23.219 -0.452 7.898
34 HE22 GLN 5 HE22 GLN 5 24.429 0.066 9.017
35 H TRP 6 H TRP 6 26.476 -0.205 1.847
36 HA TRP 6 HA TRP 6 28.542 1.658 2.094
37 HB2 TRP 6 HB2 TRP 6 28.800 -0.661 1.226
38 HB3 TRP 6 HB3 TRP 6 28.003 -0.166 -0.263
39 HD1 TRP 6 HD1 TRP 6 31.198 0.715 1.758
40 HE1 TRP 6 HE1 TRP 6 33.020 1.420 0.083
41 HE3 TRP 6 HE3 TRP 6 28.467 0.502 -2.554
42 HZ2 TRP 6 HZ2 TRP 6 33.263 1.831 -2.704
43 HZ3 TRP 6 HZ3 TRP 6 29.569 1.066 -4.679
44 HH2 TRP 6 HH2 TRP 6 31.924 1.715 -4.741
45 H LEU 7 H LEU 7 26.039 1.346 -0.422
46 HA LEU 7 HA LEU 7 26.904 3.557 -1.971
47 HB2 LEU 7 HB2 LEU 7 24.257 2.132 -1.758
48 HB3 LEU 7 HB3 LEU 7 24.514 3.468 -2.860
49 HG LEU 7 HG LEU 7 26.073 0.883 -2.911
50 HD11 LEU 7 HD11 LEU 7 23.639 1.788 -4.404
51 HD12 LEU 7 HD12 LEU 7 23.921 0.269 -3.553
52 HD13 LEU 7 HD13 LEU 7 24.744 0.591 -5.078
53 HD21 LEU 7 HD21 LEU 7 26.427 1.893 -5.340
54 HD22 LEU 7 HD22 LEU 7 27.491 2.301 -3.996
55 HD23 LEU 7 HD23 LEU 7 26.205 3.410 -4.470
56 H ALA 8 H ALA 8 24.602 3.204 0.687
57 HA ALA 8 HA ALA 8 23.511 5.801 0.604
58 HB1 ALA 8 HB1 ALA 8 22.208 4.935 2.158
59 HB2 ALA 8 HB2 ALA 8 23.560 4.867 3.287
60 HB3 ALA 8 HB3 ALA 8 23.234 3.502 2.218
61 H ASP 9 H ASP 9 26.533 4.586 1.837
62 HA ASP 9 HA ASP 9 27.062 6.962 3.419
63 HB2 ASP 9 HB2 ASP 9 27.835 4.421 3.777
64 HB3 ASP 9 HB3 ASP 9 29.217 4.992 2.847
65 H GLY 10 H GLY 10 26.818 6.870 0.323
66 HA2 GLY 10 HA2 GLY 10 27.652 8.447 -1.183
67 HA3 GLY 10 HA3 GLY 10 29.041 8.688 -0.136
68 H GLY 11 H GLY 11 28.252 5.401 -0.863
69 HA2 GLY 11 HA2 GLY 11 29.390 3.797 -2.048
70 HA3 GLY 11 HA3 GLY 11 29.480 5.008 -3.316
71 HA PRO 12 HA PRO 12 33.929 4.183 -2.753
72 HB2 PRO 12 HB2 PRO 12 33.959 6.576 -4.550
73 HB3 PRO 12 HB3 PRO 12 34.877 5.072 -4.680
74 HG2 PRO 12 HG2 PRO 12 32.770 5.526 -6.242
75 HG3 PRO 12 HG3 PRO 12 33.093 3.910 -5.590
76 HD2 PRO 12 HD2 PRO 12 31.020 5.893 -4.800
77 HD3 PRO 12 HD3 PRO 12 30.968 4.119 -4.768
78 H SER 13 H SER 13 32.367 7.370 -2.593
79 HA SER 13 HA SER 13 34.417 8.828 -1.399
80 HB2 SER 13 HB2 SER 13 31.448 9.192 -0.942
81 HB3 SER 13 HB3 SER 13 32.702 10.407 -0.704
82 HG SER 13 HG SER 13 31.440 9.646 -2.989
83 H SER 14 H SER 14 32.121 6.593 0.052
84 HA SER 14 HA SER 14 32.230 7.263 2.712
85 HB2 SER 14 HB2 SER 14 31.627 4.985 3.192
86 HB3 SER 14 HB3 SER 14 30.844 5.446 1.685
87 HG SER 14 HG SER 14 31.764 3.705 0.948
88 H GLY 15 H GLY 15 34.653 5.509 0.820
89 HA2 GLY 15 HA2 GLY 15 36.961 5.506 1.307
90 HA3 GLY 15 HA3 GLY 15 36.591 5.977 2.958
91 H ARG 16 H ARG 16 34.874 3.322 1.467
92 HA ARG 16 HA ARG 16 36.566 1.385 2.877
93 HB2 ARG 16 HB2 ARG 16 34.108 0.287 3.269
94 HB3 ARG 16 HB3 ARG 16 34.964 1.247 4.465
95 HG2 ARG 16 HG2 ARG 16 33.736 3.245 3.302
96 HG3 ARG 16 HG3 ARG 16 32.636 1.978 2.755
97 HD2 ARG 16 HD2 ARG 16 33.405 2.139 5.639
98 HD3 ARG 16 HD3 ARG 16 32.187 3.239 4.995
99 HE ARG 16 HE ARG 16 31.844 0.370 4.551
100 HH11 ARG 16 HH11 ARG 16 30.826 3.276 6.229
101 HH12 ARG 16 HH12 ARG 16 29.318 2.597 6.735
102 HH21 ARG 16 HH21 ARG 16 29.857 -0.512 5.226
103 HH22 ARG 16 HH22 ARG 16 28.768 0.450 6.168
104 HA PRO 17 HA PRO 17 36.148 -1.031 -0.788
105 HB2 PRO 17 HB2 PRO 17 36.265 -3.566 0.152
106 HB3 PRO 17 HB3 PRO 17 37.667 -2.489 0.143
107 HG2 PRO 17 HG2 PRO 17 35.812 -3.166 2.394
108 HG3 PRO 17 HG3 PRO 17 37.582 -3.040 2.403
109 HD2 PRO 17 HD2 PRO 17 35.965 -1.057 3.307
110 HD3 PRO 17 HD3 PRO 17 37.544 -0.742 2.557
111 HA PRO 18 HA PRO 18 31.755 -1.802 -1.147
112 HB2 PRO 18 HB2 PRO 18 31.815 -2.905 -3.672
113 HB3 PRO 18 HB3 PRO 18 31.860 -1.167 -3.359
114 HG2 PRO 18 HG2 PRO 18 34.103 -3.046 -3.966
115 HG3 PRO 18 HG3 PRO 18 33.836 -1.391 -4.544
116 HD2 PRO 18 HD2 PRO 18 35.588 -1.962 -2.577
117 HD3 PRO 18 HD3 PRO 18 34.666 -0.445 -2.609
118 HA PRO 19 HA PRO 19 31.957 -6.044 0.462
119 HB2 PRO 19 HB2 PRO 19 29.014 -5.527 0.463
120 HB3 PRO 19 HB3 PRO 19 30.033 -6.178 1.752
121 HG2 PRO 19 HG2 PRO 19 29.162 -3.671 1.857
122 HG3 PRO 19 HG3 PRO 19 30.810 -4.078 2.372
123 HD2 PRO 19 HD2 PRO 19 29.878 -2.761 -0.139
124 HD3 PRO 19 HD3 PRO 19 31.341 -2.461 0.817
125 H SER 20 H SER 20 31.436 -8.070 -0.353
126 HA SER 20 HA SER 20 30.271 -8.077 -3.055
127 HB2 SER 20 HB2 SER 20 32.664 -9.190 -2.050
128 HB3 SER 20 HB3 SER 20 31.595 -10.552 -2.383
129 HG SER 20 HG SER 20 32.798 -8.775 -4.119
130 H GLY 21 H GLY 21 28.404 -7.949 -1.110
131 HA2 GLY 21 HA2 GLY 21 27.205 -10.633 -1.228
132 HA3 GLY 21 HA3 GLY 21 27.278 -9.797 0.315
Start of MODEL 21
1 H1 GLY -1 H GLY -1 25.462 -7.749 -1.331
2 HA2 GLY -1 HA2 GLY -1 23.524 -9.346 -0.080
3 HA3 GLY -1 HA3 GLY -1 24.864 -9.123 1.037
4 H ASP 1 H ASP 1 23.117 -8.067 2.322
5 HA ASP 1 HA ASP 1 21.976 -5.606 1.474
6 HB2 ASP 1 HB2 ASP 1 21.049 -7.072 3.299
7 HB3 ASP 1 HB3 ASP 1 22.357 -6.507 4.336
8 H ALA 2 H ALA 2 25.074 -6.392 2.826
9 HA ALA 2 HA ALA 2 25.763 -4.006 4.090
10 HB1 ALA 2 HB1 ALA 2 27.139 -6.005 4.249
11 HB2 ALA 2 HB2 ALA 2 28.095 -4.637 3.685
12 HB3 ALA 2 HB3 ALA 2 27.563 -5.869 2.541
13 H TYR 3 H TYR 3 25.771 -4.830 0.657
14 HA TYR 3 HA TYR 3 27.227 -2.601 -0.270
15 HB2 TYR 3 HB2 TYR 3 26.600 -4.736 -1.543
16 HB3 TYR 3 HB3 TYR 3 25.045 -3.965 -1.837
17 HD1 TYR 3 HD1 TYR 3 28.693 -3.655 -2.434
18 HD2 TYR 3 HD2 TYR 3 24.800 -2.321 -3.520
19 HE1 TYR 3 HE1 TYR 3 29.638 -2.496 -4.384
20 HE2 TYR 3 HE2 TYR 3 25.739 -1.157 -5.472
21 HH TYR 3 HH TYR 3 28.323 -1.712 -6.878
22 H ALA 4 H ALA 4 23.792 -3.049 0.435
23 HA ALA 4 HA ALA 4 22.786 -0.729 -0.761
24 HB1 ALA 4 HB1 ALA 4 21.067 -2.057 -0.091
25 HB2 ALA 4 HB2 ALA 4 21.101 -0.961 1.291
26 HB3 ALA 4 HB3 ALA 4 21.874 -2.542 1.399
27 H GLN 5 H GLN 5 23.908 -1.236 2.590
28 HA GLN 5 HA GLN 5 23.580 1.477 3.374
29 HB2 GLN 5 HB2 GLN 5 24.779 -0.965 4.538
30 HB3 GLN 5 HB3 GLN 5 25.438 0.557 5.122
31 HG2 GLN 5 HG2 GLN 5 22.671 0.898 5.167
32 HG3 GLN 5 HG3 GLN 5 22.951 -0.736 5.767
33 HE21 GLN 5 HE21 GLN 5 24.571 -0.953 7.506
34 HE22 GLN 5 HE22 GLN 5 24.683 0.312 8.678
35 H TRP 6 H TRP 6 26.225 -0.360 1.976
36 HA TRP 6 HA TRP 6 28.337 1.423 2.387
37 HB2 TRP 6 HB2 TRP 6 28.640 -0.878 1.572
38 HB3 TRP 6 HB3 TRP 6 27.859 -0.451 0.054
39 HD1 TRP 6 HD1 TRP 6 31.036 0.535 2.061
40 HE1 TRP 6 HE1 TRP 6 32.870 1.146 0.367
41 HE3 TRP 6 HE3 TRP 6 28.352 0.068 -2.265
42 HZ2 TRP 6 HZ2 TRP 6 33.149 1.392 -2.433
43 HZ3 TRP 6 HZ3 TRP 6 29.482 0.506 -4.406
44 HH2 TRP 6 HH2 TRP 6 31.837 1.154 -4.478
45 H LEU 7 H LEU 7 25.952 1.249 -0.244
46 HA LEU 7 HA LEU 7 27.036 3.379 -1.776
47 HB2 LEU 7 HB2 LEU 7 24.274 2.169 -1.675
48 HB3 LEU 7 HB3 LEU 7 24.727 3.423 -2.812
49 HG LEU 7 HG LEU 7 26.025 0.699 -2.659
50 HD11 LEU 7 HD11 LEU 7 23.654 1.706 -4.106
51 HD12 LEU 7 HD12 LEU 7 24.037 0.081 -3.539
52 HD13 LEU 7 HD13 LEU 7 24.774 0.695 -5.019
53 HD21 LEU 7 HD21 LEU 7 26.441 3.106 -4.382
54 HD22 LEU 7 HD22 LEU 7 26.694 1.498 -5.057
55 HD23 LEU 7 HD23 LEU 7 27.629 2.021 -3.659
56 H ALA 8 H ALA 8 24.590 3.206 0.771
57 HA ALA 8 HA ALA 8 23.619 5.835 0.598
58 HB1 ALA 8 HB1 ALA 8 22.258 5.105 2.173
59 HB2 ALA 8 HB2 ALA 8 23.594 4.939 3.313
60 HB3 ALA 8 HB3 ALA 8 23.179 3.603 2.238
61 H ASP 9 H ASP 9 26.518 4.539 2.085
62 HA ASP 9 HA ASP 9 27.077 6.922 3.606
63 HB2 ASP 9 HB2 ASP 9 27.847 4.384 3.956
64 HB3 ASP 9 HB3 ASP 9 29.234 4.953 3.033
65 H GLY 10 H GLY 10 27.186 6.380 0.358
66 HA2 GLY 10 HA2 GLY 10 27.963 8.199 -1.036
67 HA3 GLY 10 HA3 GLY 10 29.355 8.345 0.021
68 H GLY 11 H GLY 11 28.717 5.072 -0.521
69 HA2 GLY 11 HA2 GLY 11 29.788 3.469 -1.762
70 HA3 GLY 11 HA3 GLY 11 29.742 4.630 -3.078
71 HA PRO 12 HA PRO 12 34.247 3.916 -2.692
72 HB2 PRO 12 HB2 PRO 12 34.104 6.011 -4.822
73 HB3 PRO 12 HB3 PRO 12 35.049 4.519 -4.786
74 HG2 PRO 12 HG2 PRO 12 32.850 4.689 -6.264
75 HG3 PRO 12 HG3 PRO 12 33.235 3.202 -5.379
76 HD2 PRO 12 HD2 PRO 12 31.200 5.296 -4.777
77 HD3 PRO 12 HD3 PRO 12 31.142 3.543 -4.501
78 H SER 13 H SER 13 32.608 7.066 -2.906
79 HA SER 13 HA SER 13 34.707 8.700 -2.054
80 HB2 SER 13 HB2 SER 13 31.748 9.118 -1.584
81 HB3 SER 13 HB3 SER 13 32.995 10.363 -1.536
82 HG SER 13 HG SER 13 33.232 10.229 -3.695
83 H SER 14 H SER 14 32.412 6.791 -0.171
84 HA SER 14 HA SER 14 32.757 7.918 2.339
85 HB2 SER 14 HB2 SER 14 31.856 5.910 3.229
86 HB3 SER 14 HB3 SER 14 31.109 6.107 1.650
87 HG SER 14 HG SER 14 32.663 4.099 2.574
88 H GLY 15 H GLY 15 34.892 5.784 0.556
89 HA2 GLY 15 HA2 GLY 15 37.203 5.585 0.976
90 HA3 GLY 15 HA3 GLY 15 36.935 6.161 2.615
91 H ARG 16 H ARG 16 34.793 3.723 1.464
92 HA ARG 16 HA ARG 16 36.272 1.665 2.964
93 HB2 ARG 16 HB2 ARG 16 34.135 2.654 4.013
94 HB3 ARG 16 HB3 ARG 16 33.267 1.791 2.753
95 HG2 ARG 16 HG2 ARG 16 33.632 -0.235 3.696
96 HG3 ARG 16 HG3 ARG 16 35.196 0.236 4.368
97 HD2 ARG 16 HD2 ARG 16 34.246 0.582 6.340
98 HD3 ARG 16 HD3 ARG 16 33.219 1.824 5.624
99 HE ARG 16 HE ARG 16 31.467 0.315 5.563
100 HH11 ARG 16 HH11 ARG 16 34.422 -1.373 6.407
101 HH12 ARG 16 HH12 ARG 16 33.601 -2.822 6.874
102 HH21 ARG 16 HH21 ARG 16 30.398 -1.598 6.190
103 HH22 ARG 16 HH22 ARG 16 31.321 -2.952 6.750
104 HA PRO 17 HA PRO 17 35.911 -0.671 -0.810
105 HB2 PRO 17 HB2 PRO 17 36.299 -3.190 0.090
106 HB3 PRO 17 HB3 PRO 17 37.604 -2.001 0.004
107 HG2 PRO 17 HG2 PRO 17 35.997 -2.886 2.361
108 HG3 PRO 17 HG3 PRO 17 37.732 -2.542 2.251
109 HD2 PRO 17 HD2 PRO 17 35.895 -0.800 3.278
110 HD3 PRO 17 HD3 PRO 17 37.427 -0.294 2.541
111 HA PRO 18 HA PRO 18 31.640 -1.873 -1.031
112 HB2 PRO 18 HB2 PRO 18 31.756 -3.305 -3.382
113 HB3 PRO 18 HB3 PRO 18 31.706 -1.540 -3.307
114 HG2 PRO 18 HG2 PRO 18 34.052 -3.359 -3.666
115 HG3 PRO 18 HG3 PRO 18 33.689 -1.823 -4.475
116 HD2 PRO 18 HD2 PRO 18 35.472 -1.994 -2.464
117 HD3 PRO 18 HD3 PRO 18 34.449 -0.561 -2.695
118 HA PRO 19 HA PRO 19 32.098 -5.894 1.039
119 HB2 PRO 19 HB2 PRO 19 29.147 -5.565 1.221
120 HB3 PRO 19 HB3 PRO 19 30.314 -5.904 2.503
121 HG2 PRO 19 HG2 PRO 19 29.196 -3.496 2.266
122 HG3 PRO 19 HG3 PRO 19 30.894 -3.676 2.743
123 HD2 PRO 19 HD2 PRO 19 29.740 -2.886 0.102
124 HD3 PRO 19 HD3 PRO 19 31.185 -2.278 0.933
125 H SER 20 H SER 20 30.893 -8.017 0.832
126 HA SER 20 HA SER 20 30.753 -8.765 -1.904
127 HB2 SER 20 HB2 SER 20 30.109 -10.219 0.662
128 HB3 SER 20 HB3 SER 20 29.908 -10.974 -0.918
129 HG SER 20 HG SER 20 32.247 -10.208 0.412
130 H GLY 21 H GLY 21 28.786 -10.235 -2.592
131 HA2 GLY 21 HA2 GLY 21 26.593 -8.544 -3.033
132 HA3 GLY 21 HA3 GLY 21 26.613 -10.276 -3.321
Start of MODEL 22
1 H1 GLY -1 H GLY -1 26.263 -7.028 -1.086
2 HA2 GLY -1 HA2 GLY -1 23.900 -8.789 -0.884
3 HA3 GLY -1 HA3 GLY -1 25.162 -8.828 0.339
4 H ASP 1 H ASP 1 23.527 -8.278 1.924
5 HA ASP 1 HA ASP 1 21.960 -5.935 1.786
6 HB2 ASP 1 HB2 ASP 1 22.896 -7.549 4.166
7 HB3 ASP 1 HB3 ASP 1 21.725 -6.239 4.268
8 H ALA 2 H ALA 2 25.188 -6.550 3.094
9 HA ALA 2 HA ALA 2 25.579 -4.111 4.424
10 HB1 ALA 2 HB1 ALA 2 27.631 -5.875 3.084
11 HB2 ALA 2 HB2 ALA 2 27.067 -6.003 4.751
12 HB3 ALA 2 HB3 ALA 2 27.981 -4.586 4.237
13 H TYR 3 H TYR 3 25.863 -4.962 1.024
14 HA TYR 3 HA TYR 3 27.313 -2.739 0.129
15 HB2 TYR 3 HB2 TYR 3 26.774 -4.843 -1.173
16 HB3 TYR 3 HB3 TYR 3 25.172 -4.167 -1.449
17 HD1 TYR 3 HD1 TYR 3 28.794 -3.461 -1.972
18 HD2 TYR 3 HD2 TYR 3 24.801 -2.725 -3.252
19 HE1 TYR 3 HE1 TYR 3 29.648 -2.252 -3.932
20 HE2 TYR 3 HE2 TYR 3 25.650 -1.512 -5.215
21 HH TYR 3 HH TYR 3 28.264 -1.737 -6.529
22 H ALA 4 H ALA 4 23.892 -3.132 0.849
23 HA ALA 4 HA ALA 4 22.885 -0.856 -0.429
24 HB1 ALA 4 HB1 ALA 4 21.534 -2.695 0.614
25 HB2 ALA 4 HB2 ALA 4 20.966 -1.063 0.968
26 HB3 ALA 4 HB3 ALA 4 21.870 -1.965 2.184
27 H GLN 5 H GLN 5 24.143 -1.250 2.882
28 HA GLN 5 HA GLN 5 23.793 1.476 3.620
29 HB2 GLN 5 HB2 GLN 5 25.469 -0.755 4.766
30 HB3 GLN 5 HB3 GLN 5 25.449 0.859 5.463
31 HG2 GLN 5 HG2 GLN 5 23.495 0.520 6.470
32 HG3 GLN 5 HG3 GLN 5 22.783 -0.225 5.039
33 HE21 GLN 5 HE21 GLN 5 23.021 -2.469 4.726
34 HE22 GLN 5 HE22 GLN 5 23.414 -3.522 6.039
35 H TRP 6 H TRP 6 26.435 -0.361 2.198
36 HA TRP 6 HA TRP 6 28.489 1.529 2.449
37 HB2 TRP 6 HB2 TRP 6 28.867 -0.809 1.782
38 HB3 TRP 6 HB3 TRP 6 28.048 -0.513 0.254
39 HD1 TRP 6 HD1 TRP 6 31.237 0.630 2.135
40 HE1 TRP 6 HE1 TRP 6 33.016 1.236 0.377
41 HE3 TRP 6 HE3 TRP 6 28.441 0.012 -2.088
42 HZ2 TRP 6 HZ2 TRP 6 33.202 1.426 -2.440
43 HZ3 TRP 6 HZ3 TRP 6 29.492 0.427 -4.274
44 HH2 TRP 6 HH2 TRP 6 31.830 1.119 -4.434
45 H LEU 7 H LEU 7 26.017 1.104 -0.066
46 HA LEU 7 HA LEU 7 26.983 3.145 -1.789
47 HB2 LEU 7 HB2 LEU 7 24.384 1.685 -1.498
48 HB3 LEU 7 HB3 LEU 7 24.468 3.088 -2.544
49 HG LEU 7 HG LEU 7 26.190 0.624 -2.832
50 HD11 LEU 7 HD11 LEU 7 24.722 0.424 -4.958
51 HD12 LEU 7 HD12 LEU 7 23.581 1.417 -4.052
52 HD13 LEU 7 HD13 LEU 7 24.093 -0.144 -3.412
53 HD21 LEU 7 HD21 LEU 7 27.454 2.099 -3.985
54 HD22 LEU 7 HD22 LEU 7 26.131 3.249 -4.184
55 HD23 LEU 7 HD23 LEU 7 26.241 1.840 -5.236
56 H ALA 8 H ALA 8 24.638 3.086 0.856
57 HA ALA 8 HA ALA 8 23.618 5.685 0.569
58 HB1 ALA 8 HB1 ALA 8 23.540 5.165 3.285
59 HB2 ALA 8 HB2 ALA 8 23.492 3.570 2.533
60 HB3 ALA 8 HB3 ALA 8 22.292 4.787 2.098
61 H ASP 9 H ASP 9 26.601 4.517 1.970
62 HA ASP 9 HA ASP 9 27.188 6.999 3.328
63 HB2 ASP 9 HB2 ASP 9 27.961 4.495 3.847
64 HB3 ASP 9 HB3 ASP 9 29.320 4.979 2.837
65 H GLY 10 H GLY 10 27.047 6.442 0.163
66 HA2 GLY 10 HA2 GLY 10 27.829 8.071 -1.391
67 HA3 GLY 10 HA3 GLY 10 29.258 8.289 -0.398
68 H GLY 11 H GLY 11 28.547 4.992 -0.735
69 HA2 GLY 11 HA2 GLY 11 29.525 3.304 -1.943
70 HA3 GLY 11 HA3 GLY 11 29.574 4.436 -3.286
71 HA PRO 12 HA PRO 12 34.033 3.582 -2.837
72 HB2 PRO 12 HB2 PRO 12 34.034 5.833 -4.807
73 HB3 PRO 12 HB3 PRO 12 34.921 4.305 -4.856
74 HG2 PRO 12 HG2 PRO 12 32.769 4.674 -6.373
75 HG3 PRO 12 HG3 PRO 12 33.078 3.111 -5.596
76 HD2 PRO 12 HD2 PRO 12 31.094 5.220 -4.892
77 HD3 PRO 12 HD3 PRO 12 30.980 3.455 -4.738
78 H SER 13 H SER 13 32.574 6.833 -2.910
79 HA SER 13 HA SER 13 34.755 8.214 -1.785
80 HB2 SER 13 HB2 SER 13 33.291 10.075 -1.565
81 HB3 SER 13 HB3 SER 13 32.772 9.215 -3.014
82 HG SER 13 HG SER 13 31.475 9.573 -0.598
83 H SER 14 H SER 14 32.271 6.273 -0.297
84 HA SER 14 HA SER 14 32.093 7.274 2.250
85 HB2 SER 14 HB2 SER 14 31.439 5.081 2.955
86 HB3 SER 14 HB3 SER 14 30.854 5.293 1.308
87 HG SER 14 HG SER 14 32.033 3.660 0.742
88 H GLY 15 H GLY 15 34.717 5.341 0.876
89 HA2 GLY 15 HA2 GLY 15 36.962 5.546 1.627
90 HA3 GLY 15 HA3 GLY 15 36.365 6.048 3.201
91 H ARG 16 H ARG 16 34.865 3.310 1.705
92 HA ARG 16 HA ARG 16 36.535 1.444 3.221
93 HB2 ARG 16 HB2 ARG 16 34.154 0.302 3.695
94 HB3 ARG 16 HB3 ARG 16 34.902 1.438 4.808
95 HG2 ARG 16 HG2 ARG 16 33.575 3.256 3.735
96 HG3 ARG 16 HG3 ARG 16 32.743 2.017 2.794
97 HD2 ARG 16 HD2 ARG 16 32.823 2.157 5.807
98 HD3 ARG 16 HD3 ARG 16 31.487 2.711 4.801
99 HE ARG 16 HE ARG 16 32.352 -0.096 4.688
100 HH11 ARG 16 HH11 ARG 16 29.869 2.270 5.439
101 HH12 ARG 16 HH12 ARG 16 28.617 1.083 5.574
102 HH21 ARG 16 HH21 ARG 16 30.692 -1.641 4.872
103 HH22 ARG 16 HH22 ARG 16 29.082 -1.132 5.255
104 HA PRO 17 HA PRO 17 36.129 -1.092 -0.364
105 HB2 PRO 17 HB2 PRO 17 36.293 -3.594 0.653
106 HB3 PRO 17 HB3 PRO 17 37.677 -2.495 0.603
107 HG2 PRO 17 HG2 PRO 17 35.857 -3.147 2.888
108 HG3 PRO 17 HG3 PRO 17 37.621 -2.967 2.879
109 HD2 PRO 17 HD2 PRO 17 35.928 -1.013 3.728
110 HD3 PRO 17 HD3 PRO 17 37.511 -0.676 2.998
111 HA PRO 18 HA PRO 18 31.783 -1.998 -0.783
112 HB2 PRO 18 HB2 PRO 18 31.947 -3.469 -3.116
113 HB3 PRO 18 HB3 PRO 18 31.951 -1.702 -3.056
114 HG2 PRO 18 HG2 PRO 18 34.244 -3.601 -3.311
115 HG3 PRO 18 HG3 PRO 18 33.974 -2.049 -4.126
116 HD2 PRO 18 HD2 PRO 18 35.664 -2.297 -2.043
117 HD3 PRO 18 HD3 PRO 18 34.707 -0.826 -2.308
118 HA PRO 19 HA PRO 19 32.041 -6.127 1.127
119 HB2 PRO 19 HB2 PRO 19 29.302 -5.636 2.004
120 HB3 PRO 19 HB3 PRO 19 30.755 -5.810 2.987
121 HG2 PRO 19 HG2 PRO 19 29.401 -3.463 2.669
122 HG3 PRO 19 HG3 PRO 19 31.128 -3.564 3.049
123 HD2 PRO 19 HD2 PRO 19 29.787 -2.973 0.457
124 HD3 PRO 19 HD3 PRO 19 31.296 -2.331 1.127
125 H SER 20 H SER 20 31.873 -6.619 -1.343
126 HA SER 20 HA SER 20 30.887 -7.715 -3.104
127 HB2 SER 20 HB2 SER 20 31.004 -9.346 -1.027
128 HB3 SER 20 HB3 SER 20 29.246 -9.273 -1.150
129 HG SER 20 HG SER 20 31.088 -10.471 -2.814
130 H GLY 21 H GLY 21 28.317 -8.960 -3.292
131 HA2 GLY 21 HA2 GLY 21 26.635 -6.544 -3.485
132 HA3 GLY 21 HA3 GLY 21 26.495 -7.956 -4.522
Start of MODEL 23
1 H1 GLY -1 H GLY -1 24.377 -9.400 -0.846
2 HA2 GLY -1 HA2 GLY -1 23.770 -7.090 -2.294
3 HA3 GLY -1 HA3 GLY -1 22.584 -8.172 -1.583
4 H ASP 1 H ASP 1 22.515 -7.874 0.966
5 HA ASP 1 HA ASP 1 21.421 -5.333 1.442
6 HB2 ASP 1 HB2 ASP 1 21.291 -6.016 3.801
7 HB3 ASP 1 HB3 ASP 1 20.760 -7.307 2.730
8 H ALA 2 H ALA 2 24.630 -6.638 2.204
9 HA ALA 2 HA ALA 2 25.541 -4.497 3.788
10 HB1 ALA 2 HB1 ALA 2 26.685 -6.656 3.710
11 HB2 ALA 2 HB2 ALA 2 27.790 -5.332 3.342
12 HB3 ALA 2 HB3 ALA 2 27.166 -6.345 2.040
13 H TYR 3 H TYR 3 25.543 -4.995 0.294
14 HA TYR 3 HA TYR 3 27.188 -2.813 -0.404
15 HB2 TYR 3 HB2 TYR 3 26.480 -4.764 -1.877
16 HB3 TYR 3 HB3 TYR 3 24.948 -3.925 -2.094
17 HD1 TYR 3 HD1 TYR 3 28.621 -3.500 -2.543
18 HD2 TYR 3 HD2 TYR 3 24.723 -2.316 -3.771
19 HE1 TYR 3 HE1 TYR 3 29.601 -2.210 -4.392
20 HE2 TYR 3 HE2 TYR 3 25.693 -1.026 -5.624
21 HH TYR 3 HH TYR 3 28.179 0.121 -5.967
22 H ALA 4 H ALA 4 23.743 -3.063 0.279
23 HA ALA 4 HA ALA 4 22.900 -0.599 -0.763
24 HB1 ALA 4 HB1 ALA 4 20.927 -1.341 -0.072
25 HB2 ALA 4 HB2 ALA 4 21.422 -1.191 1.613
26 HB3 ALA 4 HB3 ALA 4 21.731 -2.687 0.734
27 H GLN 5 H GLN 5 23.972 -1.432 2.540
28 HA GLN 5 HA GLN 5 23.751 1.177 3.595
29 HB2 GLN 5 HB2 GLN 5 25.362 -1.228 4.433
30 HB3 GLN 5 HB3 GLN 5 25.411 0.284 5.328
31 HG2 GLN 5 HG2 GLN 5 23.449 -0.099 6.306
32 HG3 GLN 5 HG3 GLN 5 22.702 -0.640 4.804
33 HE21 GLN 5 HE21 GLN 5 23.273 -1.596 7.811
34 HE22 GLN 5 HE22 GLN 5 23.469 -3.297 7.584
35 H TRP 6 H TRP 6 26.366 -0.525 1.970
36 HA TRP 6 HA TRP 6 28.442 1.304 2.440
37 HB2 TRP 6 HB2 TRP 6 28.822 -0.954 1.564
38 HB3 TRP 6 HB3 TRP 6 27.993 -0.528 0.071
39 HD1 TRP 6 HD1 TRP 6 31.142 0.606 2.038
40 HE1 TRP 6 HE1 TRP 6 32.934 1.294 0.326
41 HE3 TRP 6 HE3 TRP 6 28.452 -0.031 -2.258
42 HZ2 TRP 6 HZ2 TRP 6 33.177 1.529 -2.481
43 HZ3 TRP 6 HZ3 TRP 6 29.541 0.446 -4.412
44 HH2 TRP 6 HH2 TRP 6 31.860 1.208 -4.510
45 H LEU 7 H LEU 7 26.093 1.088 -0.228
46 HA LEU 7 HA LEU 7 27.072 3.279 -1.713
47 HB2 LEU 7 HB2 LEU 7 24.444 1.841 -1.589
48 HB3 LEU 7 HB3 LEU 7 24.583 3.312 -2.529
49 HG LEU 7 HG LEU 7 26.266 0.839 -2.952
50 HD11 LEU 7 HD11 LEU 7 24.821 0.903 -5.144
51 HD12 LEU 7 HD12 LEU 7 23.671 1.735 -4.097
52 HD13 LEU 7 HD13 LEU 7 24.227 0.114 -3.683
53 HD21 LEU 7 HD21 LEU 7 26.401 2.219 -5.258
54 HD22 LEU 7 HD22 LEU 7 27.582 2.377 -3.961
55 HD23 LEU 7 HD23 LEU 7 26.279 3.555 -4.116
56 H ALA 8 H ALA 8 24.683 3.031 0.883
57 HA ALA 8 HA ALA 8 23.714 5.671 0.779
58 HB1 ALA 8 HB1 ALA 8 23.509 3.405 2.588
59 HB2 ALA 8 HB2 ALA 8 22.309 4.616 2.137
60 HB3 ALA 8 HB3 ALA 8 23.471 4.961 3.417
61 H ASP 9 H ASP 9 26.586 4.291 2.254
62 HA ASP 9 HA ASP 9 27.171 6.607 3.851
63 HB2 ASP 9 HB2 ASP 9 27.946 4.067 4.098
64 HB3 ASP 9 HB3 ASP 9 29.318 4.657 3.165
65 H GLY 10 H GLY 10 27.350 6.098 0.552
66 HA2 GLY 10 HA2 GLY 10 28.072 8.090 -0.703
67 HA3 GLY 10 HA3 GLY 10 29.509 8.098 0.302
68 H GLY 11 H GLY 11 28.948 4.893 -0.346
69 HA2 GLY 11 HA2 GLY 11 29.915 3.382 -1.776
70 HA3 GLY 11 HA3 GLY 11 29.730 4.606 -3.024
71 HA PRO 12 HA PRO 12 34.270 3.978 -3.009
72 HB2 PRO 12 HB2 PRO 12 33.905 6.098 -5.088
73 HB3 PRO 12 HB3 PRO 12 34.894 4.633 -5.148
74 HG2 PRO 12 HG2 PRO 12 32.584 4.749 -6.450
75 HG3 PRO 12 HG3 PRO 12 33.069 3.269 -5.603
76 HD2 PRO 12 HD2 PRO 12 31.046 5.321 -4.830
77 HD3 PRO 12 HD3 PRO 12 31.036 3.563 -4.575
78 H SER 13 H SER 13 32.577 7.117 -3.079
79 HA SER 13 HA SER 13 34.745 8.724 -2.310
80 HB2 SER 13 HB2 SER 13 33.192 10.466 -2.006
81 HB3 SER 13 HB3 SER 13 32.464 9.444 -3.243
82 HG SER 13 HG SER 13 31.647 9.951 -0.652
83 H SER 14 H SER 14 32.491 6.833 -0.365
84 HA SER 14 HA SER 14 32.915 7.974 2.132
85 HB2 SER 14 HB2 SER 14 32.002 6.000 3.059
86 HB3 SER 14 HB3 SER 14 31.240 6.153 1.482
87 HG SER 14 HG SER 14 32.399 4.482 0.743
88 H GLY 15 H GLY 15 34.950 5.783 0.297
89 HA2 GLY 15 HA2 GLY 15 37.267 5.537 0.612
90 HA3 GLY 15 HA3 GLY 15 37.097 6.193 2.234
91 H ARG 16 H ARG 16 34.874 3.732 1.278
92 HA ARG 16 HA ARG 16 36.383 1.745 2.844
93 HB2 ARG 16 HB2 ARG 16 34.471 2.461 4.131
94 HB3 ARG 16 HB3 ARG 16 33.404 2.267 2.749
95 HG2 ARG 16 HG2 ARG 16 34.084 -0.220 2.855
96 HG3 ARG 16 HG3 ARG 16 34.638 0.169 4.485
97 HD2 ARG 16 HD2 ARG 16 32.092 1.317 4.245
98 HD3 ARG 16 HD3 ARG 16 31.965 -0.281 3.513
99 HE ARG 16 HE ARG 16 32.373 -1.252 5.585
100 HH11 ARG 16 HH11 ARG 16 32.714 2.231 5.797
101 HH12 ARG 16 HH12 ARG 16 32.705 2.246 7.527
102 HH21 ARG 16 HH21 ARG 16 32.363 -1.219 7.863
103 HH22 ARG 16 HH22 ARG 16 32.506 0.289 8.700
104 HA PRO 17 HA PRO 17 36.054 -0.799 -0.784
105 HB2 PRO 17 HB2 PRO 17 36.398 -3.267 0.263
106 HB3 PRO 17 HB3 PRO 17 37.717 -2.098 0.139
107 HG2 PRO 17 HG2 PRO 17 36.037 -2.816 2.506
108 HG3 PRO 17 HG3 PRO 17 37.784 -2.530 2.418
109 HD2 PRO 17 HD2 PRO 17 36.002 -0.674 3.312
110 HD3 PRO 17 HD3 PRO 17 37.543 -0.253 2.535
111 HA PRO 18 HA PRO 18 31.746 -1.913 -0.987
112 HB2 PRO 18 HB2 PRO 18 31.873 -3.430 -3.292
113 HB3 PRO 18 HB3 PRO 18 31.809 -1.663 -3.273
114 HG2 PRO 18 HG2 PRO 18 34.170 -3.474 -3.566
115 HG3 PRO 18 HG3 PRO 18 33.798 -1.966 -4.422
116 HD2 PRO 18 HD2 PRO 18 35.577 -2.052 -2.411
117 HD3 PRO 18 HD3 PRO 18 34.526 -0.644 -2.667
118 HA PRO 19 HA PRO 19 32.098 -5.884 1.176
119 HB2 PRO 19 HB2 PRO 19 29.147 -5.593 1.277
120 HB3 PRO 19 HB3 PRO 19 30.291 -5.836 2.602
121 HG2 PRO 19 HG2 PRO 19 29.112 -3.473 2.204
122 HG3 PRO 19 HG3 PRO 19 30.794 -3.584 2.753
123 HD2 PRO 19 HD2 PRO 19 29.723 -2.969 0.028
124 HD3 PRO 19 HD3 PRO 19 31.108 -2.264 0.887
125 H SER 20 H SER 20 31.237 -8.046 0.885
126 HA SER 20 HA SER 20 30.420 -8.527 -1.891
127 HB2 SER 20 HB2 SER 20 32.501 -9.617 -0.801
128 HB3 SER 20 HB3 SER 20 31.344 -10.658 0.027
129 HG SER 20 HG SER 20 32.286 -11.238 -2.195
130 H GLY 21 H GLY 21 28.304 -7.614 -0.655
131 HA2 GLY 21 HA2 GLY 21 26.534 -9.899 -0.532
132 HA3 GLY 21 HA3 GLY 21 26.688 -9.028 0.986
Start of MODEL 24
1 H1 GLY -1 H GLY -1 24.689 -9.675 0.917
2 HA2 GLY -1 HA2 GLY -1 23.776 -8.584 -1.619
3 HA3 GLY -1 HA3 GLY -1 22.769 -9.279 -0.360
4 H ASP 1 H ASP 1 22.324 -7.951 1.550
5 HA ASP 1 HA ASP 1 21.542 -5.330 0.858
6 HB2 ASP 1 HB2 ASP 1 21.726 -6.713 3.537
7 HB3 ASP 1 HB3 ASP 1 21.035 -5.108 3.319
8 H ALA 2 H ALA 2 24.512 -6.549 2.182
9 HA ALA 2 HA ALA 2 25.497 -4.380 3.592
10 HB1 ALA 2 HB1 ALA 2 27.058 -6.245 1.805
11 HB2 ALA 2 HB2 ALA 2 26.652 -6.524 3.499
12 HB3 ALA 2 HB3 ALA 2 27.737 -5.206 3.058
13 H TYR 3 H TYR 3 25.404 -4.877 0.091
14 HA TYR 3 HA TYR 3 27.036 -2.704 -0.652
15 HB2 TYR 3 HB2 TYR 3 26.205 -4.652 -2.101
16 HB3 TYR 3 HB3 TYR 3 24.724 -3.722 -2.295
17 HD1 TYR 3 HD1 TYR 3 28.409 -3.514 -2.787
18 HD2 TYR 3 HD2 TYR 3 24.574 -2.090 -3.959
19 HE1 TYR 3 HE1 TYR 3 29.442 -2.271 -4.640
20 HE2 TYR 3 HE2 TYR 3 25.599 -0.845 -5.814
21 HH TYR 3 HH TYR 3 28.152 0.155 -6.176
22 H ALA 4 H ALA 4 23.568 -2.928 0.017
23 HA ALA 4 HA ALA 4 22.771 -0.418 -0.922
24 HB1 ALA 4 HB1 ALA 4 20.841 -0.646 0.538
25 HB2 ALA 4 HB2 ALA 4 21.649 -1.929 1.437
26 HB3 ALA 4 HB3 ALA 4 21.199 -2.183 -0.249
27 H GLN 5 H GLN 5 23.869 -1.373 2.336
28 HA GLN 5 HA GLN 5 23.699 1.215 3.468
29 HB2 GLN 5 HB2 GLN 5 25.242 -1.255 4.246
30 HB3 GLN 5 HB3 GLN 5 25.326 0.233 5.179
31 HG2 GLN 5 HG2 GLN 5 23.550 -0.452 6.302
32 HG3 GLN 5 HG3 GLN 5 22.605 -0.247 4.828
33 HE21 GLN 5 HE21 GLN 5 24.707 -2.581 6.477
34 HE22 GLN 5 HE22 GLN 5 23.850 -3.984 5.949
35 H TRP 6 H TRP 6 26.251 -0.506 1.770
36 HA TRP 6 HA TRP 6 28.403 1.204 2.299
37 HB2 TRP 6 HB2 TRP 6 28.654 -1.014 1.275
38 HB3 TRP 6 HB3 TRP 6 27.845 -0.446 -0.180
39 HD1 TRP 6 HD1 TRP 6 31.026 0.488 1.852
40 HE1 TRP 6 HE1 TRP 6 32.856 1.162 0.178
41 HE3 TRP 6 HE3 TRP 6 28.362 0.046 -2.486
42 HZ2 TRP 6 HZ2 TRP 6 33.133 1.465 -2.622
43 HZ3 TRP 6 HZ3 TRP 6 29.487 0.545 -4.616
44 HH2 TRP 6 HH2 TRP 6 31.827 1.239 -4.671
45 H LEU 7 H LEU 7 26.048 1.238 -0.376
46 HA LEU 7 HA LEU 7 27.098 3.517 -1.677
47 HB2 LEU 7 HB2 LEU 7 24.325 2.328 -1.697
48 HB3 LEU 7 HB3 LEU 7 24.830 3.637 -2.746
49 HG LEU 7 HG LEU 7 26.057 0.877 -2.733
50 HD11 LEU 7 HD11 LEU 7 23.762 2.046 -4.185
51 HD12 LEU 7 HD12 LEU 7 24.067 0.381 -3.690
52 HD13 LEU 7 HD13 LEU 7 24.872 1.040 -5.114
53 HD21 LEU 7 HD21 LEU 7 26.809 1.807 -5.059
54 HD22 LEU 7 HD22 LEU 7 27.723 2.207 -3.606
55 HD23 LEU 7 HD23 LEU 7 26.589 3.375 -4.284
56 H ALA 8 H ALA 8 24.712 3.103 0.887
57 HA ALA 8 HA ALA 8 23.715 5.738 0.935
58 HB1 ALA 8 HB1 ALA 8 23.420 3.356 2.490
59 HB2 ALA 8 HB2 ALA 8 22.335 4.736 2.334
60 HB3 ALA 8 HB3 ALA 8 23.606 4.750 3.555
61 H ASP 9 H ASP 9 26.640 4.326 2.230
62 HA ASP 9 HA ASP 9 27.222 6.527 3.994
63 HB2 ASP 9 HB2 ASP 9 28.009 4.002 4.086
64 HB3 ASP 9 HB3 ASP 9 29.334 4.612 3.100
65 H GLY 10 H GLY 10 27.223 6.384 0.708
66 HA2 GLY 10 HA2 GLY 10 27.953 8.387 -0.458
67 HA3 GLY 10 HA3 GLY 10 29.401 8.363 0.531
68 H GLY 11 H GLY 11 28.701 5.202 -0.385
69 HA2 GLY 11 HA2 GLY 11 29.651 3.767 -1.895
70 HA3 GLY 11 HA3 GLY 11 29.560 5.093 -3.044
71 HA PRO 12 HA PRO 12 34.056 4.141 -2.928
72 HB2 PRO 12 HB2 PRO 12 33.859 6.261 -5.027
73 HB3 PRO 12 HB3 PRO 12 34.758 4.739 -5.058
74 HG2 PRO 12 HG2 PRO 12 32.485 4.991 -6.408
75 HG3 PRO 12 HG3 PRO 12 32.868 3.486 -5.553
76 HD2 PRO 12 HD2 PRO 12 30.948 5.647 -4.821
77 HD3 PRO 12 HD3 PRO 12 30.836 3.894 -4.562
78 H SER 13 H SER 13 32.475 7.321 -2.958
79 HA SER 13 HA SER 13 34.660 8.910 -2.259
80 HB2 SER 13 HB2 SER 13 32.375 9.700 -3.006
81 HB3 SER 13 HB3 SER 13 31.819 9.407 -1.359
82 HG SER 13 HG SER 13 33.561 11.360 -2.335
83 H SER 14 H SER 14 32.499 6.999 -0.213
84 HA SER 14 HA SER 14 33.129 8.025 2.279
85 HB2 SER 14 HB2 SER 14 32.287 5.993 3.194
86 HB3 SER 14 HB3 SER 14 31.366 6.296 1.727
87 HG SER 14 HG SER 14 32.996 4.214 2.356
88 H GLY 15 H GLY 15 34.965 5.773 0.282
89 HA2 GLY 15 HA2 GLY 15 37.312 5.517 0.435
90 HA3 GLY 15 HA3 GLY 15 37.246 6.117 2.085
91 H ARG 16 H ARG 16 34.959 3.697 1.122
92 HA ARG 16 HA ARG 16 36.527 1.645 2.535
93 HB2 ARG 16 HB2 ARG 16 34.791 2.214 4.035
94 HB3 ARG 16 HB3 ARG 16 33.603 2.343 2.750
95 HG2 ARG 16 HG2 ARG 16 32.958 0.269 3.134
96 HG3 ARG 16 HG3 ARG 16 34.575 -0.320 2.758
97 HD2 ARG 16 HD2 ARG 16 35.170 -0.495 4.944
98 HD3 ARG 16 HD3 ARG 16 34.177 0.878 5.434
99 HE ARG 16 HE ARG 16 32.455 -1.179 4.689
100 HH11 ARG 16 HH11 ARG 16 34.839 -0.548 7.175
101 HH12 ARG 16 HH12 ARG 16 34.068 -1.566 8.343
102 HH21 ARG 16 HH21 ARG 16 31.445 -2.517 6.234
103 HH22 ARG 16 HH22 ARG 16 32.144 -2.683 7.810
104 HA PRO 17 HA PRO 17 35.920 -0.723 -1.184
105 HB2 PRO 17 HB2 PRO 17 36.342 -3.236 -0.264
106 HB3 PRO 17 HB3 PRO 17 37.647 -2.069 -0.492
107 HG2 PRO 17 HG2 PRO 17 36.241 -2.876 2.016
108 HG3 PRO 17 HG3 PRO 17 37.963 -2.557 1.748
109 HD2 PRO 17 HD2 PRO 17 36.259 -0.768 2.900
110 HD3 PRO 17 HD3 PRO 17 37.706 -0.292 1.987
111 HA PRO 18 HA PRO 18 31.660 -1.958 -1.213
112 HB2 PRO 18 HB2 PRO 18 31.731 -3.636 -3.407
113 HB3 PRO 18 HB3 PRO 18 31.663 -1.873 -3.514
114 HG2 PRO 18 HG2 PRO 18 34.024 -3.697 -3.729
115 HG3 PRO 18 HG3 PRO 18 33.621 -2.262 -4.692
116 HD2 PRO 18 HD2 PRO 18 35.450 -2.171 -2.734
117 HD3 PRO 18 HD3 PRO 18 34.368 -0.801 -3.059
118 HA PRO 19 HA PRO 19 31.981 -5.730 1.260
119 HB2 PRO 19 HB2 PRO 19 29.016 -5.578 1.037
120 HB3 PRO 19 HB3 PRO 19 30.022 -5.719 2.482
121 HG2 PRO 19 HG2 PRO 19 28.836 -3.418 1.860
122 HG3 PRO 19 HG3 PRO 19 30.468 -3.447 2.551
123 HD2 PRO 19 HD2 PRO 19 29.612 -2.988 -0.277
124 HD3 PRO 19 HD3 PRO 19 30.921 -2.226 0.651
125 H SER 20 H SER 20 31.353 -7.958 1.066
126 HA SER 20 HA SER 20 30.686 -8.710 -1.698
127 HB2 SER 20 HB2 SER 20 32.663 -9.644 0.186
128 HB3 SER 20 HB3 SER 20 31.622 -10.980 -0.301
129 HG SER 20 HG SER 20 32.395 -10.880 -2.269
130 H GLY 21 H GLY 21 28.548 -7.960 -0.127
131 HA2 GLY 21 HA2 GLY 21 27.172 -10.541 0.248
132 HA3 GLY 21 HA3 GLY 21 27.024 -9.271 1.453
Start of MODEL 25
1 H1 GLY -1 H GLY -1 25.118 -9.574 -0.986
2 HA2 GLY -1 HA2 GLY -1 24.053 -9.881 1.212
3 HA3 GLY -1 HA3 GLY -1 25.487 -9.141 1.910
4 H ASP 1 H ASP 1 23.175 -8.055 2.646
5 HA ASP 1 HA ASP 1 22.286 -5.951 0.917
6 HB2 ASP 1 HB2 ASP 1 20.892 -7.058 2.727
7 HB3 ASP 1 HB3 ASP 1 21.813 -6.115 3.896
8 H ALA 2 H ALA 2 25.107 -6.246 2.685
9 HA ALA 2 HA ALA 2 25.451 -3.772 3.913
10 HB1 ALA 2 HB1 ALA 2 27.880 -4.163 3.636
11 HB2 ALA 2 HB2 ALA 2 27.511 -5.533 2.588
12 HB3 ALA 2 HB3 ALA 2 27.021 -5.560 4.282
13 H TYR 3 H TYR 3 25.715 -4.662 0.515
14 HA TYR 3 HA TYR 3 27.069 -2.400 -0.436
15 HB2 TYR 3 HB2 TYR 3 26.587 -4.506 -1.731
16 HB3 TYR 3 HB3 TYR 3 24.935 -3.930 -1.929
17 HD1 TYR 3 HD1 TYR 3 28.477 -3.144 -2.710
18 HD2 TYR 3 HD2 TYR 3 24.391 -2.366 -3.610
19 HE1 TYR 3 HE1 TYR 3 29.162 -1.871 -4.697
20 HE2 TYR 3 HE2 TYR 3 25.065 -1.092 -5.599
21 HH TYR 3 HH TYR 3 27.586 0.243 -6.163
22 H ALA 4 H ALA 4 23.627 -2.944 0.185
23 HA ALA 4 HA ALA 4 22.605 -0.619 -0.991
24 HB1 ALA 4 HB1 ALA 4 21.636 -2.259 1.343
25 HB2 ALA 4 HB2 ALA 4 21.069 -2.296 -0.327
26 HB3 ALA 4 HB3 ALA 4 20.731 -0.894 0.688
27 H GLN 5 H GLN 5 23.875 -1.191 2.273
28 HA GLN 5 HA GLN 5 23.396 1.492 3.165
29 HB2 GLN 5 HB2 GLN 5 25.051 -0.761 4.310
30 HB3 GLN 5 HB3 GLN 5 24.861 0.799 5.099
31 HG2 GLN 5 HG2 GLN 5 22.519 -0.924 4.355
32 HG3 GLN 5 HG3 GLN 5 23.367 -1.082 5.893
33 HE21 GLN 5 HE21 GLN 5 22.762 0.192 7.521
34 HE22 GLN 5 HE22 GLN 5 21.718 1.561 7.386
35 H TRP 6 H TRP 6 26.061 -0.231 1.677
36 HA TRP 6 HA TRP 6 28.156 1.544 2.208
37 HB2 TRP 6 HB2 TRP 6 28.542 -0.667 1.241
38 HB3 TRP 6 HB3 TRP 6 27.680 -0.204 -0.222
39 HD1 TRP 6 HD1 TRP 6 30.844 0.963 1.715
40 HE1 TRP 6 HE1 TRP 6 32.602 1.683 -0.017
41 HE3 TRP 6 HE3 TRP 6 28.119 0.266 -2.551
42 HZ2 TRP 6 HZ2 TRP 6 32.808 1.921 -2.824
43 HZ3 TRP 6 HZ3 TRP 6 29.173 0.764 -4.717
44 HH2 TRP 6 HH2 TRP 6 31.475 1.574 -4.840
45 H LEU 7 H LEU 7 25.836 1.480 -0.493
46 HA LEU 7 HA LEU 7 26.860 3.732 -1.855
47 HB2 LEU 7 HB2 LEU 7 24.085 2.545 -1.817
48 HB3 LEU 7 HB3 LEU 7 24.587 3.815 -2.912
49 HG LEU 7 HG LEU 7 25.817 1.060 -2.812
50 HD11 LEU 7 HD11 LEU 7 23.599 2.212 -4.449
51 HD12 LEU 7 HD12 LEU 7 23.698 0.651 -3.636
52 HD13 LEU 7 HD13 LEU 7 24.632 0.941 -5.104
53 HD21 LEU 7 HD21 LEU 7 27.462 2.384 -3.744
54 HD22 LEU 7 HD22 LEU 7 26.306 3.493 -4.480
55 HD23 LEU 7 HD23 LEU 7 26.552 1.889 -5.170
56 H ALA 8 H ALA 8 24.422 3.371 0.680
57 HA ALA 8 HA ALA 8 23.504 6.042 0.698
58 HB1 ALA 8 HB1 ALA 8 23.277 4.991 3.306
59 HB2 ALA 8 HB2 ALA 8 23.016 3.661 2.178
60 HB3 ALA 8 HB3 ALA 8 22.036 5.122 2.063
61 H ASP 9 H ASP 9 26.309 4.506 2.111
62 HA ASP 9 HA ASP 9 26.894 6.694 3.896
63 HB2 ASP 9 HB2 ASP 9 27.500 4.158 4.137
64 HB3 ASP 9 HB3 ASP 9 28.897 4.590 3.157
65 H GLY 10 H GLY 10 27.022 6.616 0.647
66 HA2 GLY 10 HA2 GLY 10 27.986 8.553 -0.453
67 HA3 GLY 10 HA3 GLY 10 29.390 8.373 0.581
68 H GLY 11 H GLY 11 28.566 5.289 -0.322
69 HA2 GLY 11 HA2 GLY 11 29.458 3.796 -1.816
70 HA3 GLY 11 HA3 GLY 11 29.394 5.103 -2.987
71 HA PRO 12 HA PRO 12 33.866 4.128 -2.990
72 HB2 PRO 12 HB2 PRO 12 33.708 6.451 -4.865
73 HB3 PRO 12 HB3 PRO 12 34.565 4.918 -5.057
74 HG2 PRO 12 HG2 PRO 12 32.282 5.377 -6.345
75 HG3 PRO 12 HG3 PRO 12 32.647 3.776 -5.677
76 HD2 PRO 12 HD2 PRO 12 30.759 5.856 -4.692
77 HD3 PRO 12 HD3 PRO 12 30.649 4.086 -4.602
78 H SER 13 H SER 13 32.401 7.365 -2.756
79 HA SER 13 HA SER 13 34.652 8.767 -1.871
80 HB2 SER 13 HB2 SER 13 33.205 10.539 -1.360
81 HB3 SER 13 HB3 SER 13 32.352 9.666 -2.630
82 HG SER 13 HG SER 13 30.782 9.581 -1.243
83 H SER 14 H SER 14 32.383 6.758 -0.082
84 HA SER 14 HA SER 14 32.875 7.579 2.515
85 HB2 SER 14 HB2 SER 14 31.977 5.505 3.223
86 HB3 SER 14 HB3 SER 14 31.177 5.857 1.697
87 HG SER 14 HG SER 14 31.884 3.707 1.747
88 H GLY 15 H GLY 15 34.848 5.533 0.428
89 HA2 GLY 15 HA2 GLY 15 37.151 5.185 0.644
90 HA3 GLY 15 HA3 GLY 15 37.074 5.830 2.276
91 H ARG 16 H ARG 16 34.820 3.355 1.316
92 HA ARG 16 HA ARG 16 36.381 1.360 2.806
93 HB2 ARG 16 HB2 ARG 16 34.587 2.114 4.232
94 HB3 ARG 16 HB3 ARG 16 33.415 1.900 2.940
95 HG2 ARG 16 HG2 ARG 16 33.217 -0.309 3.302
96 HG3 ARG 16 HG3 ARG 16 34.931 -0.512 3.672
97 HD2 ARG 16 HD2 ARG 16 33.598 -0.974 5.640
98 HD3 ARG 16 HD3 ARG 16 34.554 0.487 5.885
99 HE ARG 16 HE ARG 16 31.881 0.974 4.923
100 HH11 ARG 16 HH11 ARG 16 33.870 0.526 7.771
101 HH12 ARG 16 HH12 ARG 16 32.780 1.375 8.815
102 HH21 ARG 16 HH21 ARG 16 30.450 2.090 6.304
103 HH22 ARG 16 HH22 ARG 16 30.840 2.261 7.983
104 HA PRO 17 HA PRO 17 36.099 -0.986 -1.032
105 HB2 PRO 17 HB2 PRO 17 36.084 -3.284 0.872
106 HB3 PRO 17 HB3 PRO 17 37.057 -3.036 -0.582
107 HG2 PRO 17 HG2 PRO 17 38.103 -2.698 1.848
108 HG3 PRO 17 HG3 PRO 17 38.554 -1.644 0.497
109 HD2 PRO 17 HD2 PRO 17 36.822 -1.082 2.843
110 HD3 PRO 17 HD3 PRO 17 37.856 0.013 1.898
111 HA PRO 18 HA PRO 18 31.681 -1.668 -1.134
112 HB2 PRO 18 HB2 PRO 18 31.611 -3.044 -3.535
113 HB3 PRO 18 HB3 PRO 18 31.669 -1.282 -3.403
114 HG2 PRO 18 HG2 PRO 18 33.881 -3.224 -3.917
115 HG3 PRO 18 HG3 PRO 18 33.592 -1.634 -4.645
116 HD2 PRO 18 HD2 PRO 18 35.434 -2.002 -2.720
117 HD3 PRO 18 HD3 PRO 18 34.487 -0.504 -2.834
118 HA PRO 19 HA PRO 19 31.538 -5.648 0.950
119 HB2 PRO 19 HB2 PRO 19 28.657 -5.265 0.223
120 HB3 PRO 19 HB3 PRO 19 29.363 -5.746 1.771
121 HG2 PRO 19 HG2 PRO 19 28.496 -3.265 1.406
122 HG3 PRO 19 HG3 PRO 19 29.992 -3.573 2.304
123 HD2 PRO 19 HD2 PRO 19 29.624 -2.516 -0.455
124 HD3 PRO 19 HD3 PRO 19 30.883 -2.150 0.741
125 H SER 20 H SER 20 31.595 -7.721 0.260
126 HA SER 20 HA SER 20 30.919 -8.232 -2.547
127 HB2 SER 20 HB2 SER 20 32.799 -9.539 -0.597
128 HB3 SER 20 HB3 SER 20 32.278 -10.391 -2.050
129 HG SER 20 HG SER 20 33.975 -9.341 -2.808
130 H GLY 21 H GLY 21 28.625 -8.411 -2.133
131 HA2 GLY 21 HA2 GLY 21 26.869 -9.969 -2.179
132 HA3 GLY 21 HA3 GLY 21 27.888 -11.117 -1.326
Start of MODEL 26
1 H1 GLY -1 H GLY -1 26.207 -7.118 -1.198
2 HA2 GLY -1 HA2 GLY -1 24.307 -9.161 -0.511
3 HA3 GLY -1 HA3 GLY -1 25.479 -8.864 0.766
4 H ASP 1 H ASP 1 23.503 -8.258 1.991
5 HA ASP 1 HA ASP 1 21.925 -6.025 1.321
6 HB2 ASP 1 HB2 ASP 1 21.143 -6.073 3.603
7 HB3 ASP 1 HB3 ASP 1 21.334 -7.732 3.046
8 H ALA 2 H ALA 2 25.031 -6.289 2.932
9 HA ALA 2 HA ALA 2 25.196 -3.757 4.099
10 HB1 ALA 2 HB1 ALA 2 27.408 -5.468 2.969
11 HB2 ALA 2 HB2 ALA 2 26.802 -5.482 4.625
12 HB3 ALA 2 HB3 ALA 2 27.644 -4.062 4.006
13 H TYR 3 H TYR 3 25.610 -4.738 0.752
14 HA TYR 3 HA TYR 3 27.005 -2.529 -0.237
15 HB2 TYR 3 HB2 TYR 3 26.446 -4.677 -1.466
16 HB3 TYR 3 HB3 TYR 3 24.846 -4.000 -1.747
17 HD1 TYR 3 HD1 TYR 3 28.465 -3.426 -2.377
18 HD2 TYR 3 HD2 TYR 3 24.469 -2.509 -3.528
19 HE1 TYR 3 HE1 TYR 3 29.310 -2.272 -4.374
20 HE2 TYR 3 HE2 TYR 3 25.307 -1.353 -5.530
21 HH TYR 3 HH TYR 3 27.864 -1.708 -6.929
22 H ALA 4 H ALA 4 23.542 -2.968 0.354
23 HA ALA 4 HA ALA 4 22.610 -0.637 -0.889
24 HB1 ALA 4 HB1 ALA 4 21.573 -2.430 1.245
25 HB2 ALA 4 HB2 ALA 4 20.871 -2.004 -0.315
26 HB3 ALA 4 HB3 ALA 4 20.799 -0.862 1.027
27 H GLN 5 H GLN 5 23.714 -1.193 2.446
28 HA GLN 5 HA GLN 5 23.315 1.514 3.274
29 HB2 GLN 5 HB2 GLN 5 24.779 -0.829 4.471
30 HB3 GLN 5 HB3 GLN 5 24.830 0.764 5.212
31 HG2 GLN 5 HG2 GLN 5 22.922 0.349 6.237
32 HG3 GLN 5 HG3 GLN 5 22.120 0.182 4.677
33 HE21 GLN 5 HE21 GLN 5 21.380 -1.219 6.990
34 HE22 GLN 5 HE22 GLN 5 21.668 -2.902 6.723
35 H TRP 6 H TRP 6 25.971 -0.291 1.872
36 HA TRP 6 HA TRP 6 28.089 1.461 2.425
37 HB2 TRP 6 HB2 TRP 6 28.510 -0.772 1.553
38 HB3 TRP 6 HB3 TRP 6 27.643 -0.394 0.070
39 HD1 TRP 6 HD1 TRP 6 30.795 0.910 1.931
40 HE1 TRP 6 HE1 TRP 6 32.543 1.553 0.157
41 HE3 TRP 6 HE3 TRP 6 28.072 -0.058 -2.283
42 HZ2 TRP 6 HZ2 TRP 6 32.742 1.632 -2.661
43 HZ3 TRP 6 HZ3 TRP 6 29.119 0.328 -4.476
44 HH2 TRP 6 HH2 TRP 6 31.410 1.157 -4.651
45 H LEU 7 H LEU 7 25.841 1.343 -0.333
46 HA LEU 7 HA LEU 7 26.946 3.491 -1.777
47 HB2 LEU 7 HB2 LEU 7 24.127 2.418 -1.700
48 HB3 LEU 7 HB3 LEU 7 24.678 3.621 -2.846
49 HG LEU 7 HG LEU 7 25.812 0.831 -2.625
50 HD11 LEU 7 HD11 LEU 7 24.610 0.596 -4.876
51 HD12 LEU 7 HD12 LEU 7 23.651 1.980 -4.349
52 HD13 LEU 7 HD13 LEU 7 23.645 0.492 -3.402
53 HD21 LEU 7 HD21 LEU 7 26.350 3.157 -4.432
54 HD22 LEU 7 HD22 LEU 7 26.578 1.506 -5.008
55 HD23 LEU 7 HD23 LEU 7 27.489 2.086 -3.616
56 H ALA 8 H ALA 8 24.426 3.364 0.709
57 HA ALA 8 HA ALA 8 23.721 6.108 0.597
58 HB1 ALA 8 HB1 ALA 8 22.087 5.318 1.855
59 HB2 ALA 8 HB2 ALA 8 23.219 5.184 3.199
60 HB3 ALA 8 HB3 ALA 8 22.962 3.811 2.122
61 H ASP 9 H ASP 9 26.227 4.333 2.292
62 HA ASP 9 HA ASP 9 26.905 6.447 4.091
63 HB2 ASP 9 HB2 ASP 9 27.364 3.900 4.316
64 HB3 ASP 9 HB3 ASP 9 28.790 4.229 3.340
65 H GLY 10 H GLY 10 27.421 6.082 0.768
66 HA2 GLY 10 HA2 GLY 10 28.459 8.234 -0.094
67 HA3 GLY 10 HA3 GLY 10 29.844 7.765 0.873
68 H GLY 11 H GLY 11 28.998 4.846 -0.112
69 HA2 GLY 11 HA2 GLY 11 29.707 3.424 -1.766
70 HA3 GLY 11 HA3 GLY 11 29.484 4.768 -2.877
71 HA PRO 12 HA PRO 12 33.962 3.826 -3.320
72 HB2 PRO 12 HB2 PRO 12 33.515 6.014 -5.310
73 HB3 PRO 12 HB3 PRO 12 34.410 4.502 -5.497
74 HG2 PRO 12 HG2 PRO 12 31.994 4.785 -6.566
75 HG3 PRO 12 HG3 PRO 12 32.480 3.252 -5.818
76 HD2 PRO 12 HD2 PRO 12 30.644 5.365 -4.792
77 HD3 PRO 12 HD3 PRO 12 30.579 3.605 -4.575
78 H SER 13 H SER 13 32.369 6.991 -3.086
79 HA SER 13 HA SER 13 34.719 8.454 -2.430
80 HB2 SER 13 HB2 SER 13 31.867 9.240 -1.813
81 HB3 SER 13 HB3 SER 13 33.256 10.308 -2.005
82 HG SER 13 HG SER 13 33.271 9.905 -4.168
83 H SER 14 H SER 14 32.334 6.725 -0.497
84 HA SER 14 HA SER 14 32.751 7.846 1.996
85 HB2 SER 14 HB2 SER 14 31.781 5.908 2.922
86 HB3 SER 14 HB3 SER 14 31.070 6.028 1.318
87 HG SER 14 HG SER 14 32.145 3.933 2.234
88 H GLY 15 H GLY 15 34.747 5.509 0.265
89 HA2 GLY 15 HA2 GLY 15 37.047 5.194 0.591
90 HA3 GLY 15 HA3 GLY 15 36.922 6.022 2.136
91 H ARG 16 H ARG 16 34.660 3.490 1.415
92 HA ARG 16 HA ARG 16 36.134 1.675 3.200
93 HB2 ARG 16 HB2 ARG 16 34.217 2.608 4.364
94 HB3 ARG 16 HB3 ARG 16 33.155 2.149 3.043
95 HG2 ARG 16 HG2 ARG 16 33.262 -0.112 3.576
96 HG3 ARG 16 HG3 ARG 16 34.727 0.087 4.540
97 HD2 ARG 16 HD2 ARG 16 33.160 -0.111 6.201
98 HD3 ARG 16 HD3 ARG 16 33.181 1.638 5.984
99 HE ARG 16 HE ARG 16 31.179 -0.034 4.620
100 HH11 ARG 16 HH11 ARG 16 31.940 2.606 6.808
101 HH12 ARG 16 HH12 ARG 16 30.305 3.167 6.882
102 HH21 ARG 16 HH21 ARG 16 29.036 0.721 4.731
103 HH22 ARG 16 HH22 ARG 16 28.660 2.101 5.708
104 HA PRO 17 HA PRO 17 36.129 -1.055 -0.395
105 HB2 PRO 17 HB2 PRO 17 36.120 -3.136 1.747
106 HB3 PRO 17 HB3 PRO 17 37.142 -3.004 0.311
107 HG2 PRO 17 HG2 PRO 17 38.083 -2.362 2.717
108 HG3 PRO 17 HG3 PRO 17 38.531 -1.428 1.279
109 HD2 PRO 17 HD2 PRO 17 36.672 -0.729 3.493
110 HD3 PRO 17 HD3 PRO 17 37.707 0.319 2.497
111 HA PRO 18 HA PRO 18 31.700 -1.819 -0.466
112 HB2 PRO 18 HB2 PRO 18 31.682 -3.153 -2.892
113 HB3 PRO 18 HB3 PRO 18 31.634 -1.395 -2.722
114 HG2 PRO 18 HG2 PRO 18 33.946 -3.188 -3.318
115 HG3 PRO 18 HG3 PRO 18 33.566 -1.586 -3.978
116 HD2 PRO 18 HD2 PRO 18 35.446 -1.949 -2.086
117 HD3 PRO 18 HD3 PRO 18 34.442 -0.485 -2.147
118 HA PRO 19 HA PRO 19 31.524 -5.878 1.416
119 HB2 PRO 19 HB2 PRO 19 28.723 -5.721 0.373
120 HB3 PRO 19 HB3 PRO 19 29.289 -6.144 1.993
121 HG2 PRO 19 HG2 PRO 19 28.250 -3.752 1.519
122 HG3 PRO 19 HG3 PRO 19 29.658 -3.928 2.581
123 HD2 PRO 19 HD2 PRO 19 29.513 -2.917 -0.222
124 HD3 PRO 19 HD3 PRO 19 30.564 -2.409 1.117
125 H SER 20 H SER 20 30.837 -8.112 0.818
126 HA SER 20 HA SER 20 31.572 -8.657 -1.931
127 HB2 SER 20 HB2 SER 20 32.351 -9.928 0.207
128 HB3 SER 20 HB3 SER 20 30.812 -10.775 0.063
129 HG SER 20 HG SER 20 33.086 -11.110 -1.354
130 H GLY 21 H GLY 21 29.333 -7.426 -2.329
131 HA2 GLY 21 HA2 GLY 21 27.236 -7.556 -3.244
132 HA3 GLY 21 HA3 GLY 21 27.647 -9.216 -3.641
Start of MODEL 27
1 H1 GLY -1 H GLY -1 25.970 -8.683 -1.217
2 HA2 GLY -1 HA2 GLY -1 23.911 -7.846 -1.760
3 HA3 GLY -1 HA3 GLY -1 23.298 -8.840 -0.453
4 H ASP 1 H ASP 1 22.998 -7.897 1.630
5 HA ASP 1 HA ASP 1 22.039 -5.266 1.636
6 HB2 ASP 1 HB2 ASP 1 21.890 -5.511 4.085
7 HB3 ASP 1 HB3 ASP 1 21.270 -6.929 3.246
8 H ALA 2 H ALA 2 25.224 -6.532 2.410
9 HA ALA 2 HA ALA 2 26.296 -4.370 3.807
10 HB1 ALA 2 HB1 ALA 2 27.717 -6.222 1.895
11 HB2 ALA 2 HB2 ALA 2 27.452 -6.505 3.617
12 HB3 ALA 2 HB3 ALA 2 28.491 -5.180 3.090
13 H TYR 3 H TYR 3 25.923 -4.864 0.324
14 HA TYR 3 HA TYR 3 27.425 -2.570 -0.448
15 HB2 TYR 3 HB2 TYR 3 26.906 -4.576 -1.905
16 HB3 TYR 3 HB3 TYR 3 25.277 -3.932 -2.072
17 HD1 TYR 3 HD1 TYR 3 28.859 -3.050 -2.646
18 HD2 TYR 3 HD2 TYR 3 24.800 -2.372 -3.735
19 HE1 TYR 3 HE1 TYR 3 29.600 -1.652 -4.525
20 HE2 TYR 3 HE2 TYR 3 25.534 -0.972 -5.617
21 HH TYR 3 HH TYR 3 27.944 0.485 -5.999
22 H ALA 4 H ALA 4 24.058 -3.120 0.381
23 HA ALA 4 HA ALA 4 22.924 -0.792 -0.678
24 HB1 ALA 4 HB1 ALA 4 21.684 -2.745 0.297
25 HB2 ALA 4 HB2 ALA 4 21.084 -1.161 0.788
26 HB3 ALA 4 HB3 ALA 4 22.077 -2.110 1.895
27 H GLN 5 H GLN 5 24.363 -1.382 2.527
28 HA GLN 5 HA GLN 5 23.976 1.272 3.479
29 HB2 GLN 5 HB2 GLN 5 25.762 -0.986 4.379
30 HB3 GLN 5 HB3 GLN 5 25.733 0.573 5.193
31 HG2 GLN 5 HG2 GLN 5 23.568 0.274 5.967
32 HG3 GLN 5 HG3 GLN 5 23.207 -0.968 4.769
33 HE21 GLN 5 HE21 GLN 5 24.780 -0.269 7.801
34 HE22 GLN 5 HE22 GLN 5 24.985 -1.911 8.299
35 H TRP 6 H TRP 6 26.596 -0.386 1.819
36 HA TRP 6 HA TRP 6 28.627 1.513 2.099
37 HB2 TRP 6 HB2 TRP 6 28.943 -0.771 1.208
38 HB3 TRP 6 HB3 TRP 6 28.091 -0.311 -0.258
39 HD1 TRP 6 HD1 TRP 6 31.379 0.477 1.622
40 HE1 TRP 6 HE1 TRP 6 33.107 1.283 -0.105
41 HE3 TRP 6 HE3 TRP 6 28.393 0.593 -2.513
42 HZ2 TRP 6 HZ2 TRP 6 33.190 1.881 -2.871
43 HZ3 TRP 6 HZ3 TRP 6 29.374 1.288 -4.663
44 HH2 TRP 6 HH2 TRP 6 31.728 1.914 -4.825
45 H LEU 7 H LEU 7 26.047 1.245 -0.334
46 HA LEU 7 HA LEU 7 26.872 3.464 -1.905
47 HB2 LEU 7 HB2 LEU 7 24.240 2.030 -1.595
48 HB3 LEU 7 HB3 LEU 7 24.425 3.400 -2.670
49 HG LEU 7 HG LEU 7 25.990 0.825 -2.888
50 HD11 LEU 7 HD11 LEU 7 23.956 0.085 -3.561
51 HD12 LEU 7 HD12 LEU 7 24.483 0.821 -5.073
52 HD13 LEU 7 HD13 LEU 7 23.389 1.695 -4.002
53 HD21 LEU 7 HD21 LEU 7 26.009 3.396 -4.391
54 HD22 LEU 7 HD22 LEU 7 26.231 1.896 -5.290
55 HD23 LEU 7 HD23 LEU 7 27.340 2.311 -3.986
56 H ALA 8 H ALA 8 24.602 3.085 0.789
57 HA ALA 8 HA ALA 8 23.547 5.691 0.786
58 HB1 ALA 8 HB1 ALA 8 22.266 4.815 2.352
59 HB2 ALA 8 HB2 ALA 8 23.639 4.690 3.450
60 HB3 ALA 8 HB3 ALA 8 23.266 3.364 2.348
61 H ASP 9 H ASP 9 26.592 4.455 1.939
62 HA ASP 9 HA ASP 9 27.140 6.789 3.574
63 HB2 ASP 9 HB2 ASP 9 27.943 4.241 3.826
64 HB3 ASP 9 HB3 ASP 9 29.302 4.866 2.898
65 H GLY 10 H GLY 10 26.826 6.806 0.485
66 HA2 GLY 10 HA2 GLY 10 27.634 8.438 -0.983
67 HA3 GLY 10 HA3 GLY 10 29.049 8.629 0.037
68 H GLY 11 H GLY 11 28.315 5.358 -0.680
69 HA2 GLY 11 HA2 GLY 11 29.409 3.787 -1.944
70 HA3 GLY 11 HA3 GLY 11 29.410 5.006 -3.206
71 HA PRO 12 HA PRO 12 33.899 4.303 -2.895
72 HB2 PRO 12 HB2 PRO 12 33.783 6.745 -4.618
73 HB3 PRO 12 HB3 PRO 12 34.723 5.266 -4.841
74 HG2 PRO 12 HG2 PRO 12 32.531 5.714 -6.277
75 HG3 PRO 12 HG3 PRO 12 32.916 4.089 -5.682
76 HD2 PRO 12 HD2 PRO 12 30.860 6.018 -4.729
77 HD3 PRO 12 HD3 PRO 12 30.830 4.244 -4.756
78 H SER 13 H SER 13 32.248 7.424 -2.523
79 HA SER 13 HA SER 13 34.303 8.944 -1.442
80 HB2 SER 13 HB2 SER 13 31.368 9.084 -0.716
81 HB3 SER 13 HB3 SER 13 32.558 10.364 -0.482
82 HG SER 13 HG SER 13 31.201 9.629 -2.740
83 H SER 14 H SER 14 32.156 6.633 0.163
84 HA SER 14 HA SER 14 32.655 7.207 2.815
85 HB2 SER 14 HB2 SER 14 31.902 5.002 3.314
86 HB3 SER 14 HB3 SER 14 31.024 5.511 1.879
87 HG SER 14 HG SER 14 31.731 3.604 1.237
88 H GLY 15 H GLY 15 34.626 5.280 0.579
89 HA2 GLY 15 HA2 GLY 15 37.033 5.326 0.815
90 HA3 GLY 15 HA3 GLY 15 36.816 5.404 2.556
91 H ARG 16 H ARG 16 34.881 3.334 2.817
92 HA ARG 16 HA ARG 16 36.571 1.077 2.943
93 HB2 ARG 16 HB2 ARG 16 34.250 -0.133 3.281
94 HB3 ARG 16 HB3 ARG 16 34.911 0.914 4.528
95 HG2 ARG 16 HG2 ARG 16 33.240 2.339 2.619
96 HG3 ARG 16 HG3 ARG 16 32.388 1.046 3.460
97 HD2 ARG 16 HD2 ARG 16 34.103 2.838 5.084
98 HD3 ARG 16 HD3 ARG 16 32.595 3.504 4.460
99 HE ARG 16 HE ARG 16 31.724 1.241 5.547
100 HH11 ARG 16 HH11 ARG 16 33.925 3.645 6.831
101 HH12 ARG 16 HH12 ARG 16 33.497 3.331 8.479
102 HH21 ARG 16 HH21 ARG 16 31.167 0.835 7.719
103 HH22 ARG 16 HH22 ARG 16 31.934 1.738 8.983
104 HA PRO 17 HA PRO 17 36.094 -0.752 -1.053
105 HB2 PRO 17 HB2 PRO 17 36.356 -3.383 -0.511
106 HB3 PRO 17 HB3 PRO 17 37.711 -2.256 -0.376
107 HG2 PRO 17 HG2 PRO 17 35.939 -3.353 1.776
108 HG3 PRO 17 HG3 PRO 17 37.701 -3.157 1.771
109 HD2 PRO 17 HD2 PRO 17 36.022 -1.407 2.996
110 HD3 PRO 17 HD3 PRO 17 37.581 -0.923 2.296
111 HA PRO 18 HA PRO 18 31.807 -1.776 -1.602
112 HB2 PRO 18 HB2 PRO 18 31.988 -3.125 -4.000
113 HB3 PRO 18 HB3 PRO 18 32.011 -1.363 -3.854
114 HG2 PRO 18 HG2 PRO 18 34.293 -3.274 -4.153
115 HG3 PRO 18 HG3 PRO 18 34.042 -1.698 -4.925
116 HD2 PRO 18 HD2 PRO 18 35.703 -2.001 -2.833
117 HD3 PRO 18 HD3 PRO 18 34.734 -0.528 -3.050
118 HA PRO 19 HA PRO 19 32.098 -5.987 0.142
119 HB2 PRO 19 HB2 PRO 19 29.369 -5.440 1.061
120 HB3 PRO 19 HB3 PRO 19 30.808 -5.784 2.021
121 HG2 PRO 19 HG2 PRO 19 29.636 -3.347 1.947
122 HG3 PRO 19 HG3 PRO 19 31.376 -3.573 2.198
123 HD2 PRO 19 HD2 PRO 19 29.905 -2.759 -0.271
124 HD3 PRO 19 HD3 PRO 19 31.461 -2.189 0.358
125 H SER 20 H SER 20 31.001 -7.947 -0.296
126 HA SER 20 HA SER 20 29.107 -7.804 -2.547
127 HB2 SER 20 HB2 SER 20 30.060 -9.799 -3.439
128 HB3 SER 20 HB3 SER 20 31.415 -8.762 -2.999
129 HG SER 20 HG SER 20 31.878 -10.045 -1.313
130 H GLY 21 H GLY 21 28.470 -7.817 0.356
131 HA2 GLY 21 HA2 GLY 21 27.198 -10.460 0.633
132 HA3 GLY 21 HA3 GLY 21 27.493 -9.329 1.941
Start of MODEL 28
1 H1 GLY -1 H GLY -1 25.267 -7.546 -1.327
2 HA2 GLY -1 HA2 GLY -1 23.499 -9.141 0.145
3 HA3 GLY -1 HA3 GLY -1 24.979 -8.969 1.078
4 H ASP 1 H ASP 1 23.320 -7.949 2.563
5 HA ASP 1 HA ASP 1 22.169 -5.439 1.961
6 HB2 ASP 1 HB2 ASP 1 22.820 -6.759 4.600
7 HB3 ASP 1 HB3 ASP 1 21.959 -5.229 4.472
8 H ALA 2 H ALA 2 25.350 -6.342 3.127
9 HA ALA 2 HA ALA 2 26.230 -3.976 4.266
10 HB1 ALA 2 HB1 ALA 2 27.550 -6.011 4.337
11 HB2 ALA 2 HB2 ALA 2 28.502 -4.688 3.667
12 HB3 ALA 2 HB3 ALA 2 27.828 -5.918 2.598
13 H TYR 3 H TYR 3 26.031 -4.831 0.831
14 HA TYR 3 HA TYR 3 27.438 -2.587 -0.150
15 HB2 TYR 3 HB2 TYR 3 26.887 -4.703 -1.429
16 HB3 TYR 3 HB3 TYR 3 25.258 -4.065 -1.622
17 HD1 TYR 3 HD1 TYR 3 28.830 -3.177 -2.263
18 HD2 TYR 3 HD2 TYR 3 24.767 -2.700 -3.439
19 HE1 TYR 3 HE1 TYR 3 29.557 -1.922 -4.247
20 HE2 TYR 3 HE2 TYR 3 25.485 -1.447 -5.427
21 HH TYR 3 HH TYR 3 27.971 0.034 -5.872
22 H ALA 4 H ALA 4 24.037 -3.087 0.657
23 HA ALA 4 HA ALA 4 22.952 -0.798 -0.526
24 HB1 ALA 4 HB1 ALA 4 21.141 -1.007 1.132
25 HB2 ALA 4 HB2 ALA 4 22.107 -2.188 2.017
26 HB3 ALA 4 HB3 ALA 4 21.546 -2.553 0.386
27 H GLN 5 H GLN 5 24.409 -1.255 2.684
28 HA GLN 5 HA GLN 5 24.010 1.434 3.543
29 HB2 GLN 5 HB2 GLN 5 25.950 -0.667 4.530
30 HB3 GLN 5 HB3 GLN 5 25.614 0.853 5.345
31 HG2 GLN 5 HG2 GLN 5 23.872 -0.027 6.378
32 HG3 GLN 5 HG3 GLN 5 23.154 -0.512 4.843
33 HE21 GLN 5 HE21 GLN 5 22.483 -2.534 5.182
34 HE22 GLN 5 HE22 GLN 5 23.467 -3.828 5.765
35 H TRP 6 H TRP 6 26.602 -0.290 1.912
36 HA TRP 6 HA TRP 6 28.651 1.594 2.115
37 HB2 TRP 6 HB2 TRP 6 28.899 -0.733 1.264
38 HB3 TRP 6 HB3 TRP 6 28.094 -0.247 -0.223
39 HD1 TRP 6 HD1 TRP 6 31.301 0.631 1.772
40 HE1 TRP 6 HE1 TRP 6 33.113 1.332 0.084
41 HE3 TRP 6 HE3 TRP 6 28.537 0.422 -2.519
42 HZ2 TRP 6 HZ2 TRP 6 33.337 1.737 -2.706
43 HZ3 TRP 6 HZ3 TRP 6 29.628 0.979 -4.654
44 HH2 TRP 6 HH2 TRP 6 31.984 1.620 -4.734
45 H LEU 7 H LEU 7 26.126 1.237 -0.378
46 HA LEU 7 HA LEU 7 26.952 3.445 -1.951
47 HB2 LEU 7 HB2 LEU 7 24.323 1.994 -1.700
48 HB3 LEU 7 HB3 LEU 7 24.553 3.324 -2.814
49 HG LEU 7 HG LEU 7 26.130 0.748 -2.869
50 HD11 LEU 7 HD11 LEU 7 24.042 0.056 -3.539
51 HD12 LEU 7 HD12 LEU 7 24.759 0.545 -5.074
52 HD13 LEU 7 HD13 LEU 7 23.632 1.618 -4.247
53 HD21 LEU 7 HD21 LEU 7 26.481 1.731 -5.294
54 HD22 LEU 7 HD22 LEU 7 27.528 2.196 -3.956
55 HD23 LEU 7 HD23 LEU 7 26.217 3.262 -4.460
56 H ALA 8 H ALA 8 24.675 3.091 0.731
57 HA ALA 8 HA ALA 8 23.531 5.656 0.636
58 HB1 ALA 8 HB1 ALA 8 22.273 4.643 2.144
59 HB2 ALA 8 HB2 ALA 8 23.559 4.909 3.320
60 HB3 ALA 8 HB3 ALA 8 23.491 3.398 2.415
61 H ASP 9 H ASP 9 26.610 4.551 1.842
62 HA ASP 9 HA ASP 9 27.107 6.993 3.334
63 HB2 ASP 9 HB2 ASP 9 27.941 4.487 3.778
64 HB3 ASP 9 HB3 ASP 9 29.293 5.046 2.800
65 H GLY 10 H GLY 10 26.813 6.803 0.251
66 HA2 GLY 10 HA2 GLY 10 27.604 8.336 -1.324
67 HA3 GLY 10 HA3 GLY 10 29.002 8.633 -0.306
68 H GLY 11 H GLY 11 28.287 5.307 -0.880
69 HA2 GLY 11 HA2 GLY 11 29.401 3.684 -2.059
70 HA3 GLY 11 HA3 GLY 11 29.506 4.872 -3.347
71 HA PRO 12 HA PRO 12 33.947 4.054 -2.754
72 HB2 PRO 12 HB2 PRO 12 34.007 6.456 -4.534
73 HB3 PRO 12 HB3 PRO 12 34.911 4.944 -4.669
74 HG2 PRO 12 HG2 PRO 12 32.813 5.436 -6.236
75 HG3 PRO 12 HG3 PRO 12 33.129 3.810 -5.607
76 HD2 PRO 12 HD2 PRO 12 31.055 5.782 -4.805
77 HD3 PRO 12 HD3 PRO 12 31.007 4.007 -4.785
78 H SER 13 H SER 13 32.445 7.284 -2.619
79 HA SER 13 HA SER 13 34.541 8.645 -1.362
80 HB2 SER 13 HB2 SER 13 33.021 10.403 -0.985
81 HB3 SER 13 HB3 SER 13 32.407 9.601 -2.429
82 HG SER 13 HG SER 13 30.699 9.940 -1.036
83 H SER 14 H SER 14 32.171 6.456 -0.020
84 HA SER 14 HA SER 14 32.057 7.172 2.625
85 HB2 SER 14 HB2 SER 14 31.502 4.881 3.102
86 HB3 SER 14 HB3 SER 14 30.816 5.291 1.535
87 HG SER 14 HG SER 14 31.802 3.443 1.092
88 H GLY 15 H GLY 15 34.688 5.504 0.958
89 HA2 GLY 15 HA2 GLY 15 36.949 5.633 1.655
90 HA3 GLY 15 HA3 GLY 15 36.401 6.000 3.283
91 H ARG 16 H ARG 16 34.929 3.363 1.553
92 HA ARG 16 HA ARG 16 36.635 1.408 2.900
93 HB2 ARG 16 HB2 ARG 16 34.221 0.231 3.288
94 HB3 ARG 16 HB3 ARG 16 35.060 1.178 4.508
95 HG2 ARG 16 HG2 ARG 16 33.641 3.078 3.099
96 HG3 ARG 16 HG3 ARG 16 32.551 1.695 3.140
97 HD2 ARG 16 HD2 ARG 16 33.682 1.926 5.713
98 HD3 ARG 16 HD3 ARG 16 33.205 3.548 5.219
99 HE ARG 16 HE ARG 16 30.975 2.878 5.200
100 HH11 ARG 16 HH11 ARG 16 33.066 0.147 5.880
101 HH12 ARG 16 HH12 ARG 16 31.770 -0.863 6.423
102 HH21 ARG 16 HH21 ARG 16 29.277 1.537 5.920
103 HH22 ARG 16 HH22 ARG 16 29.622 -0.077 6.445
104 HA PRO 17 HA PRO 17 36.153 -0.862 -0.858
105 HB2 PRO 17 HB2 PRO 17 36.413 -3.420 -0.047
106 HB3 PRO 17 HB3 PRO 17 37.765 -2.281 -0.010
107 HG2 PRO 17 HG2 PRO 17 35.965 -3.156 2.220
108 HG3 PRO 17 HG3 PRO 17 37.728 -2.963 2.217
109 HD2 PRO 17 HD2 PRO 17 36.037 -1.093 3.236
110 HD3 PRO 17 HD3 PRO 17 37.606 -0.687 2.511
111 HA PRO 18 HA PRO 18 31.810 -1.840 -1.195
112 HB2 PRO 18 HB2 PRO 18 31.912 -3.085 -3.655
113 HB3 PRO 18 HB3 PRO 18 31.892 -1.330 -3.437
114 HG2 PRO 18 HG2 PRO 18 34.204 -3.158 -3.936
115 HG3 PRO 18 HG3 PRO 18 33.878 -1.549 -4.609
116 HD2 PRO 18 HD2 PRO 18 35.647 -1.931 -2.615
117 HD3 PRO 18 HD3 PRO 18 34.652 -0.465 -2.720
118 HA PRO 19 HA PRO 19 32.193 -6.039 0.531
119 HB2 PRO 19 HB2 PRO 19 29.284 -5.584 0.929
120 HB3 PRO 19 HB3 PRO 19 30.507 -6.076 2.104
121 HG2 PRO 19 HG2 PRO 19 29.496 -3.608 2.123
122 HG3 PRO 19 HG3 PRO 19 31.208 -3.900 2.478
123 HD2 PRO 19 HD2 PRO 19 29.942 -2.867 -0.025
124 HD3 PRO 19 HD3 PRO 19 31.452 -2.373 0.765
125 H SER 20 H SER 20 30.888 -8.074 0.217
126 HA SER 20 HA SER 20 30.472 -8.525 -2.571
127 HB2 SER 20 HB2 SER 20 29.907 -10.323 -0.199
128 HB3 SER 20 HB3 SER 20 29.921 -10.835 -1.886
129 HG SER 20 HG SER 20 32.057 -10.700 -1.931
130 H GLY 21 H GLY 21 28.387 -10.054 -3.036
131 HA2 GLY 21 HA2 GLY 21 26.189 -8.309 -3.155
132 HA3 GLY 21 HA3 GLY 21 26.137 -10.033 -3.485
Start of MODEL 29
1 H1 GLY -1 H GLY -1 25.536 -8.113 -1.271
2 HA2 GLY -1 HA2 GLY -1 23.691 -9.619 0.204
3 HA3 GLY -1 HA3 GLY -1 25.035 -9.212 1.263
4 H ASP 1 H ASP 1 23.114 -8.138 2.366
5 HA ASP 1 HA ASP 1 21.997 -5.776 1.243
6 HB2 ASP 1 HB2 ASP 1 22.129 -6.743 4.104
7 HB3 ASP 1 HB3 ASP 1 21.198 -5.346 3.572
8 H ALA 2 H ALA 2 25.038 -6.384 2.724
9 HA ALA 2 HA ALA 2 25.582 -3.967 4.002
10 HB1 ALA 2 HB1 ALA 2 27.498 -5.776 2.533
11 HB2 ALA 2 HB2 ALA 2 27.038 -5.892 4.233
12 HB3 ALA 2 HB3 ALA 2 27.956 -4.499 3.661
13 H TYR 3 H TYR 3 25.728 -4.799 0.574
14 HA TYR 3 HA TYR 3 27.146 -2.555 -0.338
15 HB2 TYR 3 HB2 TYR 3 26.574 -4.659 -1.644
16 HB3 TYR 3 HB3 TYR 3 24.976 -3.963 -1.891
17 HD1 TYR 3 HD1 TYR 3 28.594 -3.397 -2.523
18 HD2 TYR 3 HD2 TYR 3 24.601 -2.386 -3.597
19 HE1 TYR 3 HE1 TYR 3 29.436 -2.165 -4.476
20 HE2 TYR 3 HE2 TYR 3 25.434 -1.153 -5.553
21 HH TYR 3 HH TYR 3 27.970 0.046 -6.030
22 H ALA 4 H ALA 4 23.715 -3.008 0.361
23 HA ALA 4 HA ALA 4 22.699 -0.693 -0.831
24 HB1 ALA 4 HB1 ALA 4 21.375 -2.595 0.156
25 HB2 ALA 4 HB2 ALA 4 20.769 -0.981 0.525
26 HB3 ALA 4 HB3 ALA 4 21.675 -1.882 1.741
27 H GLN 5 H GLN 5 23.891 -1.197 2.493
28 HA GLN 5 HA GLN 5 23.550 1.526 3.271
29 HB2 GLN 5 HB2 GLN 5 24.625 -0.933 4.471
30 HB3 GLN 5 HB3 GLN 5 25.425 0.537 5.009
31 HG2 GLN 5 HG2 GLN 5 23.083 1.439 5.461
32 HG3 GLN 5 HG3 GLN 5 22.541 -0.229 5.285
33 HE21 GLN 5 HE21 GLN 5 22.721 -1.571 6.979
34 HE22 GLN 5 HE22 GLN 5 23.514 -1.185 8.465
35 H TRP 6 H TRP 6 26.164 -0.327 1.848
36 HA TRP 6 HA TRP 6 28.308 1.405 2.301
37 HB2 TRP 6 HB2 TRP 6 28.579 -0.871 1.422
38 HB3 TRP 6 HB3 TRP 6 27.792 -0.399 -0.079
39 HD1 TRP 6 HD1 TRP 6 30.987 0.532 1.928
40 HE1 TRP 6 HE1 TRP 6 32.822 1.151 0.234
41 HE3 TRP 6 HE3 TRP 6 28.289 0.132 -2.394
42 HZ2 TRP 6 HZ2 TRP 6 33.092 1.431 -2.562
43 HZ3 TRP 6 HZ3 TRP 6 29.413 0.594 -4.533
44 HH2 TRP 6 HH2 TRP 6 31.770 1.229 -4.605
45 H LEU 7 H LEU 7 25.953 1.327 -0.370
46 HA LEU 7 HA LEU 7 27.064 3.490 -1.822
47 HB2 LEU 7 HB2 LEU 7 24.281 2.330 -1.767
48 HB3 LEU 7 HB3 LEU 7 24.759 3.609 -2.861
49 HG LEU 7 HG LEU 7 26.000 0.858 -2.790
50 HD11 LEU 7 HD11 LEU 7 23.727 2.007 -4.326
51 HD12 LEU 7 HD12 LEU 7 23.932 0.393 -3.646
52 HD13 LEU 7 HD13 LEU 7 24.794 0.846 -5.116
53 HD21 LEU 7 HD21 LEU 7 26.695 1.736 -5.163
54 HD22 LEU 7 HD22 LEU 7 27.647 2.151 -3.740
55 HD23 LEU 7 HD23 LEU 7 26.504 3.316 -4.405
56 H ALA 8 H ALA 8 24.545 3.288 0.659
57 HA ALA 8 HA ALA 8 23.722 5.983 0.573
58 HB1 ALA 8 HB1 ALA 8 23.458 4.920 3.216
59 HB2 ALA 8 HB2 ALA 8 23.032 3.689 2.027
60 HB3 ALA 8 HB3 ALA 8 22.216 5.252 2.009
61 H ASP 9 H ASP 9 26.435 4.413 2.134
62 HA ASP 9 HA ASP 9 27.037 6.600 3.893
63 HB2 ASP 9 HB2 ASP 9 27.671 4.071 4.103
64 HB3 ASP 9 HB3 ASP 9 29.054 4.522 3.111
65 H GLY 10 H GLY 10 27.311 6.342 0.586
66 HA2 GLY 10 HA2 GLY 10 28.189 8.364 -0.500
67 HA3 GLY 10 HA3 GLY 10 29.583 8.229 0.555
68 H GLY 11 H GLY 11 28.805 5.118 -0.392
69 HA2 GLY 11 HA2 GLY 11 29.779 3.643 -1.850
70 HA3 GLY 11 HA3 GLY 11 29.692 4.944 -3.027
71 HA PRO 12 HA PRO 12 34.188 4.005 -2.899
72 HB2 PRO 12 HB2 PRO 12 33.994 6.130 -4.994
73 HB3 PRO 12 HB3 PRO 12 34.895 4.610 -5.026
74 HG2 PRO 12 HG2 PRO 12 32.622 4.869 -6.381
75 HG3 PRO 12 HG3 PRO 12 33.012 3.357 -5.540
76 HD2 PRO 12 HD2 PRO 12 31.073 5.496 -4.799
77 HD3 PRO 12 HD3 PRO 12 30.982 3.742 -4.539
78 H SER 13 H SER 13 32.644 7.209 -3.012
79 HA SER 13 HA SER 13 34.866 8.727 -2.202
80 HB2 SER 13 HB2 SER 13 31.938 9.342 -1.746
81 HB3 SER 13 HB3 SER 13 33.265 10.503 -1.714
82 HG SER 13 HG SER 13 33.522 10.283 -3.878
83 H SER 14 H SER 14 32.470 6.951 -0.323
84 HA SER 14 HA SER 14 32.845 8.080 2.182
85 HB2 SER 14 HB2 SER 14 31.825 6.155 3.081
86 HB3 SER 14 HB3 SER 14 31.147 6.295 1.465
87 HG SER 14 HG SER 14 32.350 4.602 0.802
88 H GLY 15 H GLY 15 34.882 5.802 0.446
89 HA2 GLY 15 HA2 GLY 15 37.192 5.544 0.870
90 HA3 GLY 15 HA3 GLY 15 36.940 6.150 2.500
91 H ARG 16 H ARG 16 34.689 3.790 1.439
92 HA ARG 16 HA ARG 16 36.096 1.719 2.990
93 HB2 ARG 16 HB2 ARG 16 33.891 2.765 3.879
94 HB3 ARG 16 HB3 ARG 16 33.110 1.816 2.625
95 HG2 ARG 16 HG2 ARG 16 33.506 -0.163 3.676
96 HG3 ARG 16 HG3 ARG 16 34.981 0.418 4.454
97 HD2 ARG 16 HD2 ARG 16 33.379 0.155 6.175
98 HD3 ARG 16 HD3 ARG 16 33.516 1.888 5.881
99 HE ARG 16 HE ARG 16 31.365 1.895 4.977
100 HH11 ARG 16 HH11 ARG 16 32.337 -1.369 5.813
101 HH12 ARG 16 HH12 ARG 16 30.730 -2.003 5.705
102 HH21 ARG 16 HH21 ARG 16 29.256 1.048 4.837
103 HH22 ARG 16 HH22 ARG 16 28.982 -0.633 5.150
104 HA PRO 17 HA PRO 17 35.892 -0.690 -0.746
105 HB2 PRO 17 HB2 PRO 17 36.227 -3.190 0.224
106 HB3 PRO 17 HB3 PRO 17 37.539 -2.007 0.180
107 HG2 PRO 17 HG2 PRO 17 35.820 -2.849 2.472
108 HG3 PRO 17 HG3 PRO 17 37.556 -2.496 2.441
109 HD2 PRO 17 HD2 PRO 17 35.647 -0.745 3.337
110 HD3 PRO 17 HD3 PRO 17 37.226 -0.253 2.692
111 HA PRO 18 HA PRO 18 31.620 -1.868 -1.162
112 HB2 PRO 18 HB2 PRO 18 31.879 -3.413 -3.441
113 HB3 PRO 18 HB3 PRO 18 31.785 -1.648 -3.447
114 HG2 PRO 18 HG2 PRO 18 34.187 -3.423 -3.610
115 HG3 PRO 18 HG3 PRO 18 33.833 -1.926 -4.494
116 HD2 PRO 18 HD2 PRO 18 35.516 -1.968 -2.400
117 HD3 PRO 18 HD3 PRO 18 34.455 -0.580 -2.714
118 HA PRO 19 HA PRO 19 31.956 -5.777 1.134
119 HB2 PRO 19 HB2 PRO 19 28.995 -5.463 1.062
120 HB3 PRO 19 HB3 PRO 19 30.055 -5.753 2.445
121 HG2 PRO 19 HG2 PRO 19 28.968 -3.358 2.034
122 HG3 PRO 19 HG3 PRO 19 30.626 -3.517 2.641
123 HD2 PRO 19 HD2 PRO 19 29.670 -2.823 -0.103
124 HD3 PRO 19 HD3 PRO 19 31.059 -2.194 0.805
125 H SER 20 H SER 20 30.904 -7.938 0.929
126 HA SER 20 HA SER 20 30.865 -8.768 -1.800
127 HB2 SER 20 HB2 SER 20 30.503 -11.013 -0.913
128 HB3 SER 20 HB3 SER 20 31.740 -10.191 0.035
129 HG SER 20 HG SER 20 29.328 -11.161 0.815
130 H GLY 21 H GLY 21 28.977 -10.561 -2.241
131 HA2 GLY 21 HA2 GLY 21 26.686 -9.069 -2.877
132 HA3 GLY 21 HA3 GLY 21 26.806 -10.821 -2.931
Start of MODEL 30
1 H1 GLY -1 H GLY -1 25.025 -9.174 -1.162
2 HA2 GLY -1 HA2 GLY -1 24.064 -9.763 1.066
3 HA3 GLY -1 HA3 GLY -1 25.531 -9.073 1.743
4 H ASP 1 H ASP 1 23.192 -8.115 2.659
5 HA ASP 1 HA ASP 1 22.140 -5.906 1.225
6 HB2 ASP 1 HB2 ASP 1 22.032 -6.635 4.154
7 HB3 ASP 1 HB3 ASP 1 21.183 -5.253 3.470
8 H ALA 2 H ALA 2 25.091 -6.264 2.895
9 HA ALA 2 HA ALA 2 25.506 -3.779 4.061
10 HB1 ALA 2 HB1 ALA 2 27.517 -5.558 2.685
11 HB2 ALA 2 HB2 ALA 2 27.056 -5.602 4.388
12 HB3 ALA 2 HB3 ALA 2 27.913 -4.204 3.743
13 H TYR 3 H TYR 3 25.683 -4.708 0.664
14 HA TYR 3 HA TYR 3 27.036 -2.467 -0.333
15 HB2 TYR 3 HB2 TYR 3 26.498 -4.592 -1.592
16 HB3 TYR 3 HB3 TYR 3 24.861 -3.972 -1.790
17 HD1 TYR 3 HD1 TYR 3 28.426 -3.183 -2.525
18 HD2 TYR 3 HD2 TYR 3 24.349 -2.522 -3.553
19 HE1 TYR 3 HE1 TYR 3 29.136 -1.945 -4.525
20 HE2 TYR 3 HE2 TYR 3 25.051 -1.282 -5.556
21 HH TYR 3 HH TYR 3 27.500 -1.424 -7.047
22 H ALA 4 H ALA 4 23.613 -2.959 0.399
23 HA ALA 4 HA ALA 4 22.566 -0.665 -0.808
24 HB1 ALA 4 HB1 ALA 4 21.180 -2.480 0.100
25 HB2 ALA 4 HB2 ALA 4 20.679 -0.901 0.704
26 HB3 ALA 4 HB3 ALA 4 21.615 -1.982 1.736
27 H GLN 5 H GLN 5 23.906 -1.129 2.454
28 HA GLN 5 HA GLN 5 23.517 1.602 3.231
29 HB2 GLN 5 HB2 GLN 5 25.023 -0.716 4.420
30 HB3 GLN 5 HB3 GLN 5 25.156 0.900 5.100
31 HG2 GLN 5 HG2 GLN 5 23.400 0.361 6.342
32 HG3 GLN 5 HG3 GLN 5 22.442 0.559 4.876
33 HE21 GLN 5 HE21 GLN 5 21.745 -1.272 3.753
34 HE22 GLN 5 HE22 GLN 5 21.772 -2.846 4.462
35 H TRP 6 H TRP 6 26.087 -0.250 1.744
36 HA TRP 6 HA TRP 6 28.251 1.466 2.142
37 HB2 TRP 6 HB2 TRP 6 28.449 -0.818 1.210
38 HB3 TRP 6 HB3 TRP 6 27.681 -0.269 -0.276
39 HD1 TRP 6 HD1 TRP 6 30.864 0.571 1.790
40 HE1 TRP 6 HE1 TRP 6 32.727 1.201 0.138
41 HE3 TRP 6 HE3 TRP 6 28.226 0.265 -2.576
42 HZ2 TRP 6 HZ2 TRP 6 33.041 1.527 -2.650
43 HZ3 TRP 6 HZ3 TRP 6 29.385 0.751 -4.690
44 HH2 TRP 6 HH2 TRP 6 31.749 1.368 -4.715
45 H LEU 7 H LEU 7 25.868 1.399 -0.511
46 HA LEU 7 HA LEU 7 26.934 3.603 -1.929
47 HB2 LEU 7 HB2 LEU 7 24.161 2.417 -1.878
48 HB3 LEU 7 HB3 LEU 7 24.642 3.693 -2.976
49 HG LEU 7 HG LEU 7 25.905 0.952 -2.887
50 HD11 LEU 7 HD11 LEU 7 24.692 0.802 -5.156
51 HD12 LEU 7 HD12 LEU 7 23.659 2.077 -4.510
52 HD13 LEU 7 HD13 LEU 7 23.771 0.526 -3.678
53 HD21 LEU 7 HD21 LEU 7 27.518 2.313 -3.837
54 HD22 LEU 7 HD22 LEU 7 26.330 3.384 -4.579
55 HD23 LEU 7 HD23 LEU 7 26.610 1.778 -5.249
56 H ALA 8 H ALA 8 24.480 3.326 0.602
57 HA ALA 8 HA ALA 8 23.573 5.994 0.551
58 HB1 ALA 8 HB1 ALA 8 22.908 3.707 1.939
59 HB2 ALA 8 HB2 ALA 8 22.181 5.302 2.131
60 HB3 ALA 8 HB3 ALA 8 23.498 4.801 3.190
61 H ASP 9 H ASP 9 26.372 4.496 2.032
62 HA ASP 9 HA ASP 9 26.972 6.743 3.728
63 HB2 ASP 9 HB2 ASP 9 27.644 4.172 3.932
64 HB3 ASP 9 HB3 ASP 9 29.064 4.728 3.054
65 H GLY 10 H GLY 10 27.192 6.368 0.438
66 HA2 GLY 10 HA2 GLY 10 28.040 8.305 -0.777
67 HA3 GLY 10 HA3 GLY 10 29.426 8.290 0.297
68 H GLY 11 H GLY 11 28.731 5.102 -0.467
69 HA2 GLY 11 HA2 GLY 11 29.728 3.571 -1.850
70 HA3 GLY 11 HA3 GLY 11 29.711 4.832 -3.074
71 HA PRO 12 HA PRO 12 34.188 3.945 -2.770
72 HB2 PRO 12 HB2 PRO 12 34.117 6.183 -4.749
73 HB3 PRO 12 HB3 PRO 12 34.998 4.653 -4.825
74 HG2 PRO 12 HG2 PRO 12 32.789 5.037 -6.265
75 HG3 PRO 12 HG3 PRO 12 33.134 3.466 -5.519
76 HD2 PRO 12 HD2 PRO 12 31.163 5.551 -4.725
77 HD3 PRO 12 HD3 PRO 12 31.073 3.784 -4.572
78 H SER 13 H SER 13 32.712 7.191 -2.831
79 HA SER 13 HA SER 13 34.914 8.594 -1.787
80 HB2 SER 13 HB2 SER 13 33.468 10.447 -1.559
81 HB3 SER 13 HB3 SER 13 32.832 9.543 -2.932
82 HG SER 13 HG SER 13 31.721 10.014 -0.454
83 H SER 14 H SER 14 32.425 6.718 -0.189
84 HA SER 14 HA SER 14 32.519 7.752 2.379
85 HB2 SER 14 HB2 SER 14 31.538 5.731 3.108
86 HB3 SER 14 HB3 SER 14 30.982 5.928 1.453
87 HG SER 14 HG SER 14 32.263 3.873 2.487
88 H GLY 15 H GLY 15 34.844 5.710 0.734
89 HA2 GLY 15 HA2 GLY 15 37.115 5.559 1.378
90 HA3 GLY 15 HA3 GLY 15 36.660 6.011 3.013
91 H ARG 16 H ARG 16 34.663 3.640 1.575
92 HA ARG 16 HA ARG 16 36.119 1.480 2.939
93 HB2 ARG 16 HB2 ARG 16 34.099 2.263 4.196
94 HB3 ARG 16 HB3 ARG 16 33.114 1.811 2.812
95 HG2 ARG 16 HG2 ARG 16 33.516 -0.476 3.133
96 HG3 ARG 16 HG3 ARG 16 34.872 -0.169 4.222
97 HD2 ARG 16 HD2 ARG 16 33.091 -0.833 5.608
98 HD3 ARG 16 HD3 ARG 16 33.193 0.917 5.778
99 HE ARG 16 HE ARG 16 31.089 -0.590 4.415
100 HH11 ARG 16 HH11 ARG 16 32.381 2.526 5.381
101 HH12 ARG 16 HH12 ARG 16 30.901 3.367 5.076
102 HH21 ARG 16 HH21 ARG 16 29.146 0.532 4.019
103 HH22 ARG 16 HH22 ARG 16 29.067 2.239 4.305
104 HA PRO 17 HA PRO 17 35.711 -0.533 -1.011
105 HB2 PRO 17 HB2 PRO 17 36.129 -3.114 -0.332
106 HB3 PRO 17 HB3 PRO 17 37.424 -1.911 -0.335
107 HG2 PRO 17 HG2 PRO 17 35.856 -3.004 1.962
108 HG3 PRO 17 HG3 PRO 17 37.588 -2.644 1.856
109 HD2 PRO 17 HD2 PRO 17 35.762 -1.000 3.055
110 HD3 PRO 17 HD3 PRO 17 37.281 -0.429 2.338
111 HA PRO 18 HA PRO 18 31.469 -1.790 -1.334
112 HB2 PRO 18 HB2 PRO 18 31.616 -3.182 -3.710
113 HB3 PRO 18 HB3 PRO 18 31.560 -1.417 -3.606
114 HG2 PRO 18 HG2 PRO 18 33.914 -3.225 -3.969
115 HG3 PRO 18 HG3 PRO 18 33.559 -1.674 -4.752
116 HD2 PRO 18 HD2 PRO 18 35.319 -1.880 -2.724
117 HD3 PRO 18 HD3 PRO 18 34.297 -0.446 -2.940
118 HA PRO 19 HA PRO 19 31.710 -5.772 0.789
119 HB2 PRO 19 HB2 PRO 19 28.774 -5.542 0.268
120 HB3 PRO 19 HB3 PRO 19 29.613 -5.957 1.767
121 HG2 PRO 19 HG2 PRO 19 28.567 -3.537 1.426
122 HG3 PRO 19 HG3 PRO 19 30.126 -3.745 2.244
123 HD2 PRO 19 HD2 PRO 19 29.546 -2.749 -0.503
124 HD3 PRO 19 HD3 PRO 19 30.839 -2.286 0.620
125 H SER 20 H SER 20 31.590 -7.907 0.166
126 HA SER 20 HA SER 20 31.019 -8.377 -2.662
127 HB2 SER 20 HB2 SER 20 33.210 -9.084 -1.600
128 HB3 SER 20 HB3 SER 20 32.296 -10.304 -0.715
129 HG SER 20 HG SER 20 32.641 -11.452 -2.445
130 H GLY 21 H GLY 21 28.686 -8.265 -2.336
131 HA2 GLY 21 HA2 GLY 21 26.722 -9.505 -2.457
132 HA3 GLY 21 HA3 GLY 21 27.587 -10.894 -1.822
Start of MODEL 31
1 H1 GLY -1 H GLY -1 25.034 -8.057 -1.790
2 HA2 GLY -1 HA2 GLY -1 23.736 -9.410 -0.019
3 HA3 GLY -1 HA3 GLY -1 25.104 -8.976 0.996
4 H ASP 1 H ASP 1 22.905 -8.188 2.060
5 HA ASP 1 HA ASP 1 21.721 -5.790 1.178
6 HB2 ASP 1 HB2 ASP 1 21.931 -7.020 3.931
7 HB3 ASP 1 HB3 ASP 1 20.996 -5.566 3.595
8 H ALA 2 H ALA 2 24.702 -6.393 2.881
9 HA ALA 2 HA ALA 2 25.125 -3.938 4.133
10 HB1 ALA 2 HB1 ALA 2 27.173 -5.770 2.888
11 HB2 ALA 2 HB2 ALA 2 26.560 -5.853 4.540
12 HB3 ALA 2 HB3 ALA 2 27.520 -4.468 4.025
13 H TYR 3 H TYR 3 25.519 -4.849 0.753
14 HA TYR 3 HA TYR 3 27.041 -2.665 -0.118
15 HB2 TYR 3 HB2 TYR 3 26.542 -4.742 -1.441
16 HB3 TYR 3 HB3 TYR 3 24.928 -4.102 -1.731
17 HD1 TYR 3 HD1 TYR 3 28.539 -3.341 -2.244
18 HD2 TYR 3 HD2 TYR 3 24.538 -2.645 -3.519
19 HE1 TYR 3 HE1 TYR 3 29.379 -2.107 -4.195
20 HE2 TYR 3 HE2 TYR 3 25.370 -1.409 -5.473
21 HH TYR 3 HH TYR 3 28.031 -1.601 -6.775
22 H ALA 4 H ALA 4 23.555 -3.013 0.346
23 HA ALA 4 HA ALA 4 22.714 -0.656 -0.910
24 HB1 ALA 4 HB1 ALA 4 21.477 -1.901 1.543
25 HB2 ALA 4 HB2 ALA 4 21.210 -2.466 -0.106
26 HB3 ALA 4 HB3 ALA 4 20.688 -0.850 0.368
27 H GLN 5 H GLN 5 23.805 -1.243 2.417
28 HA GLN 5 HA GLN 5 23.425 1.452 3.282
29 HB2 GLN 5 HB2 GLN 5 24.687 -1.001 4.411
30 HB3 GLN 5 HB3 GLN 5 25.144 0.550 5.106
31 HG2 GLN 5 HG2 GLN 5 22.254 0.104 4.767
32 HG3 GLN 5 HG3 GLN 5 23.063 -0.928 5.947
33 HE21 GLN 5 HE21 GLN 5 22.561 2.440 5.006
34 HE22 GLN 5 HE22 GLN 5 22.730 3.095 6.595
35 H TRP 6 H TRP 6 26.095 -0.364 1.895
36 HA TRP 6 HA TRP 6 28.194 1.413 2.426
37 HB2 TRP 6 HB2 TRP 6 28.595 -0.847 1.578
38 HB3 TRP 6 HB3 TRP 6 27.798 -0.441 0.063
39 HD1 TRP 6 HD1 TRP 6 30.907 0.742 2.076
40 HE1 TRP 6 HE1 TRP 6 32.731 1.395 0.384
41 HE3 TRP 6 HE3 TRP 6 28.309 -0.005 -2.263
42 HZ2 TRP 6 HZ2 TRP 6 33.031 1.569 -2.419
43 HZ3 TRP 6 HZ3 TRP 6 29.442 0.428 -4.404
44 HH2 TRP 6 HH2 TRP 6 31.759 1.199 -4.469
45 H LEU 7 H LEU 7 25.974 1.239 -0.355
46 HA LEU 7 HA LEU 7 27.073 3.380 -1.813
47 HB2 LEU 7 HB2 LEU 7 24.287 2.229 -1.739
48 HB3 LEU 7 HB3 LEU 7 24.757 3.499 -2.850
49 HG LEU 7 HG LEU 7 26.023 0.757 -2.747
50 HD11 LEU 7 HD11 LEU 7 23.740 1.863 -4.315
51 HD12 LEU 7 HD12 LEU 7 23.929 0.280 -3.561
52 HD13 LEU 7 HD13 LEU 7 24.801 0.658 -5.046
53 HD21 LEU 7 HD21 LEU 7 26.509 3.206 -4.370
54 HD22 LEU 7 HD22 LEU 7 26.657 1.635 -5.156
55 HD23 LEU 7 HD23 LEU 7 27.650 2.012 -3.751
56 H ALA 8 H ALA 8 24.538 3.266 0.659
57 HA ALA 8 HA ALA 8 23.794 5.990 0.516
58 HB1 ALA 8 HB1 ALA 8 23.163 3.710 2.166
59 HB2 ALA 8 HB2 ALA 8 22.183 5.116 1.755
60 HB3 ALA 8 HB3 ALA 8 23.293 5.186 3.122
61 H ASP 9 H ASP 9 26.363 4.305 2.208
62 HA ASP 9 HA ASP 9 27.020 6.457 3.966
63 HB2 ASP 9 HB2 ASP 9 27.562 3.949 4.239
64 HB3 ASP 9 HB3 ASP 9 28.929 4.267 3.179
65 H GLY 10 H GLY 10 27.454 6.111 0.639
66 HA2 GLY 10 HA2 GLY 10 28.373 8.205 -0.356
67 HA3 GLY 10 HA3 GLY 10 29.753 7.966 0.696
68 H GLY 11 H GLY 11 29.008 4.908 -0.278
69 HA2 GLY 11 HA2 GLY 11 29.966 3.464 -1.779
70 HA3 GLY 11 HA3 GLY 11 29.773 4.758 -2.952
71 HA PRO 12 HA PRO 12 34.307 3.990 -3.001
72 HB2 PRO 12 HB2 PRO 12 33.955 6.043 -5.145
73 HB3 PRO 12 HB3 PRO 12 34.902 4.551 -5.172
74 HG2 PRO 12 HG2 PRO 12 32.573 4.696 -6.441
75 HG3 PRO 12 HG3 PRO 12 33.040 3.225 -5.568
76 HD2 PRO 12 HD2 PRO 12 31.076 5.338 -4.810
77 HD3 PRO 12 HD3 PRO 12 31.031 3.590 -4.510
78 H SER 13 H SER 13 32.615 7.117 -3.093
79 HA SER 13 HA SER 13 34.818 8.735 -2.407
80 HB2 SER 13 HB2 SER 13 31.889 9.273 -1.865
81 HB3 SER 13 HB3 SER 13 33.180 10.472 -1.925
82 HG SER 13 HG SER 13 31.739 9.433 -3.944
83 H SER 14 H SER 14 32.453 7.012 -0.415
84 HA SER 14 HA SER 14 32.953 8.193 2.045
85 HB2 SER 14 HB2 SER 14 31.901 6.320 3.030
86 HB3 SER 14 HB3 SER 14 31.156 6.478 1.445
87 HG SER 14 HG SER 14 31.861 4.559 0.996
88 H GLY 15 H GLY 15 34.836 5.791 0.303
89 HA2 GLY 15 HA2 GLY 15 37.123 5.379 0.641
90 HA3 GLY 15 HA3 GLY 15 37.010 6.151 2.215
91 H ARG 16 H ARG 16 34.625 3.782 1.402
92 HA ARG 16 HA ARG 16 35.943 1.854 3.195
93 HB2 ARG 16 HB2 ARG 16 33.863 2.861 4.100
94 HB3 ARG 16 HB3 ARG 16 32.978 2.249 2.712
95 HG2 ARG 16 HG2 ARG 16 33.646 -0.059 3.421
96 HG3 ARG 16 HG3 ARG 16 34.285 0.657 4.902
97 HD2 ARG 16 HD2 ARG 16 31.431 0.800 3.932
98 HD3 ARG 16 HD3 ARG 16 32.034 -0.208 5.246
99 HE ARG 16 HE ARG 16 32.388 2.680 5.483
100 HH11 ARG 16 HH11 ARG 16 30.625 -0.189 6.458
101 HH12 ARG 16 HH12 ARG 16 29.955 0.558 7.867
102 HH21 ARG 16 HH21 ARG 16 31.497 3.653 7.341
103 HH22 ARG 16 HH22 ARG 16 30.448 2.736 8.369
104 HA PRO 17 HA PRO 17 35.906 -0.935 -0.265
105 HB2 PRO 17 HB2 PRO 17 36.067 -3.332 0.983
106 HB3 PRO 17 HB3 PRO 17 37.429 -2.211 0.887
107 HG2 PRO 17 HG2 PRO 17 35.543 -2.714 3.150
108 HG3 PRO 17 HG3 PRO 17 37.296 -2.454 3.188
109 HD2 PRO 17 HD2 PRO 17 35.469 -0.519 3.785
110 HD3 PRO 17 HD3 PRO 17 37.083 -0.176 3.131
111 HA PRO 18 HA PRO 18 31.552 -1.890 -0.662
112 HB2 PRO 18 HB2 PRO 18 31.716 -3.129 -3.114
113 HB3 PRO 18 HB3 PRO 18 31.690 -1.374 -2.901
114 HG2 PRO 18 HG2 PRO 18 34.009 -3.201 -3.355
115 HG3 PRO 18 HG3 PRO 18 33.701 -1.590 -4.027
116 HD2 PRO 18 HD2 PRO 18 35.424 -2.008 -1.987
117 HD3 PRO 18 HD3 PRO 18 34.472 -0.517 -2.140
118 HA PRO 19 HA PRO 19 31.595 -5.999 1.186
119 HB2 PRO 19 HB2 PRO 19 28.717 -5.746 0.407
120 HB3 PRO 19 HB3 PRO 19 29.415 -6.248 1.950
121 HG2 PRO 19 HG2 PRO 19 28.385 -3.813 1.654
122 HG3 PRO 19 HG3 PRO 19 29.858 -4.068 2.608
123 HD2 PRO 19 HD2 PRO 19 29.542 -2.898 -0.112
124 HD3 PRO 19 HD3 PRO 19 30.721 -2.517 1.156
125 H SER 20 H SER 20 31.250 -8.161 0.493
126 HA SER 20 HA SER 20 31.348 -8.482 -2.391
127 HB2 SER 20 HB2 SER 20 31.786 -10.403 -0.098
128 HB3 SER 20 HB3 SER 20 31.836 -10.896 -1.790
129 HG SER 20 HG SER 20 33.912 -10.357 -0.911
130 H GLY 21 H GLY 21 28.961 -7.690 -2.295
131 HA2 GLY 21 HA2 GLY 21 26.835 -8.280 -2.966
132 HA3 GLY 21 HA3 GLY 21 27.319 -9.966 -2.880
Start of MODEL 32
1 H1 GLY -1 H GLY -1 25.301 -7.239 -1.369
2 HA2 GLY -1 HA2 GLY -1 23.240 -8.825 -0.334
3 HA3 GLY -1 HA3 GLY -1 24.579 -8.871 0.805
4 H ASP 1 H ASP 1 23.062 -7.839 2.299
5 HA ASP 1 HA ASP 1 21.957 -5.282 1.841
6 HB2 ASP 1 HB2 ASP 1 22.610 -6.749 4.401
7 HB3 ASP 1 HB3 ASP 1 21.766 -5.205 4.360
8 H ALA 2 H ALA 2 25.125 -6.298 2.952
9 HA ALA 2 HA ALA 2 26.010 -3.943 4.159
10 HB1 ALA 2 HB1 ALA 2 27.259 -6.023 4.310
11 HB2 ALA 2 HB2 ALA 2 28.282 -4.731 3.685
12 HB3 ALA 2 HB3 ALA 2 27.630 -5.946 2.587
13 H TYR 3 H TYR 3 25.934 -4.856 0.737
14 HA TYR 3 HA TYR 3 27.399 -2.607 -0.199
15 HB2 TYR 3 HB2 TYR 3 27.046 -4.748 -1.474
16 HB3 TYR 3 HB3 TYR 3 25.384 -4.238 -1.755
17 HD1 TYR 3 HD1 TYR 3 28.926 -3.406 -2.447
18 HD2 TYR 3 HD2 TYR 3 24.856 -2.660 -3.448
19 HE1 TYR 3 HE1 TYR 3 29.649 -2.151 -4.433
20 HE2 TYR 3 HE2 TYR 3 25.571 -1.402 -5.435
21 HH TYR 3 HH TYR 3 27.998 -0.055 -5.988
22 H ALA 4 H ALA 4 23.957 -3.236 0.313
23 HA ALA 4 HA ALA 4 22.912 -0.978 -0.971
24 HB1 ALA 4 HB1 ALA 4 21.816 -2.355 1.482
25 HB2 ALA 4 HB2 ALA 4 21.544 -2.868 -0.183
26 HB3 ALA 4 HB3 ALA 4 20.920 -1.316 0.374
27 H GLN 5 H GLN 5 23.948 -1.427 2.405
28 HA GLN 5 HA GLN 5 23.383 1.261 3.182
29 HB2 GLN 5 HB2 GLN 5 24.980 -0.961 4.445
30 HB3 GLN 5 HB3 GLN 5 24.870 0.637 5.171
31 HG2 GLN 5 HG2 GLN 5 22.456 0.418 5.332
32 HG3 GLN 5 HG3 GLN 5 22.537 -1.163 4.556
33 HE21 GLN 5 HE21 GLN 5 22.733 0.558 7.481
34 HE22 GLN 5 HE22 GLN 5 23.149 -0.767 8.508
35 H TRP 6 H TRP 6 26.185 -0.419 1.906
36 HA TRP 6 HA TRP 6 28.183 1.460 2.464
37 HB2 TRP 6 HB2 TRP 6 28.744 -0.752 1.649
38 HB3 TRP 6 HB3 TRP 6 27.884 -0.464 0.142
39 HD1 TRP 6 HD1 TRP 6 30.998 0.898 2.013
40 HE1 TRP 6 HE1 TRP 6 32.717 1.639 0.251
41 HE3 TRP 6 HE3 TRP 6 28.254 0.038 -2.208
42 HZ2 TRP 6 HZ2 TRP 6 32.888 1.827 -2.566
43 HZ3 TRP 6 HZ3 TRP 6 29.272 0.523 -4.395
44 HH2 TRP 6 HH2 TRP 6 31.545 1.398 -4.559
45 H LEU 7 H LEU 7 25.964 1.207 -0.307
46 HA LEU 7 HA LEU 7 26.989 3.366 -1.791
47 HB2 LEU 7 HB2 LEU 7 24.220 2.176 -1.666
48 HB3 LEU 7 HB3 LEU 7 24.671 3.426 -2.806
49 HG LEU 7 HG LEU 7 25.949 0.692 -2.664
50 HD11 LEU 7 HD11 LEU 7 23.789 0.272 -3.416
51 HD12 LEU 7 HD12 LEU 7 24.718 0.461 -4.903
52 HD13 LEU 7 HD13 LEU 7 23.706 1.782 -4.320
53 HD21 LEU 7 HD21 LEU 7 26.383 3.098 -4.380
54 HD22 LEU 7 HD22 LEU 7 26.603 1.491 -5.068
55 HD23 LEU 7 HD23 LEU 7 27.559 1.989 -3.676
56 H ALA 8 H ALA 8 24.496 3.203 0.720
57 HA ALA 8 HA ALA 8 23.679 5.906 0.576
58 HB1 ALA 8 HB1 ALA 8 22.127 5.125 1.936
59 HB2 ALA 8 HB2 ALA 8 23.325 4.969 3.221
60 HB3 ALA 8 HB3 ALA 8 23.026 3.620 2.125
61 H ASP 9 H ASP 9 26.332 4.312 2.225
62 HA ASP 9 HA ASP 9 26.937 6.498 3.967
63 HB2 ASP 9 HB2 ASP 9 27.566 3.960 4.168
64 HB3 ASP 9 HB3 ASP 9 28.971 4.428 3.219
65 H GLY 10 H GLY 10 27.310 6.186 0.649
66 HA2 GLY 10 HA2 GLY 10 28.206 8.313 -0.325
67 HA3 GLY 10 HA3 GLY 10 29.627 8.019 0.658
68 H GLY 11 H GLY 11 28.899 4.993 -0.264
69 HA2 GLY 11 HA2 GLY 11 29.660 3.573 -1.898
70 HA3 GLY 11 HA3 GLY 11 29.543 4.930 -3.010
71 HA PRO 12 HA PRO 12 34.019 3.909 -3.165
72 HB2 PRO 12 HB2 PRO 12 33.757 6.159 -5.119
73 HB3 PRO 12 HB3 PRO 12 34.636 4.634 -5.285
74 HG2 PRO 12 HG2 PRO 12 32.307 4.982 -6.509
75 HG3 PRO 12 HG3 PRO 12 32.708 3.428 -5.756
76 HD2 PRO 12 HD2 PRO 12 30.854 5.568 -4.819
77 HD3 PRO 12 HD3 PRO 12 30.730 3.805 -4.649
78 H SER 13 H SER 13 32.558 7.156 -3.027
79 HA SER 13 HA SER 13 34.873 8.531 -2.196
80 HB2 SER 13 HB2 SER 13 33.469 10.399 -1.815
81 HB3 SER 13 HB3 SER 13 32.725 9.523 -3.151
82 HG SER 13 HG SER 13 31.749 10.054 -0.668
83 H SER 14 H SER 14 32.483 6.702 -0.383
84 HA SER 14 HA SER 14 32.839 7.720 2.166
85 HB2 SER 14 HB2 SER 14 31.884 5.727 2.986
86 HB3 SER 14 HB3 SER 14 31.196 5.914 1.379
87 HG SER 14 HG SER 14 32.384 3.812 2.268
88 H GLY 15 H GLY 15 34.907 5.514 0.355
89 HA2 GLY 15 HA2 GLY 15 37.203 5.213 0.708
90 HA3 GLY 15 HA3 GLY 15 37.039 5.964 2.287
91 H ARG 16 H ARG 16 34.832 3.428 1.410
92 HA ARG 16 HA ARG 16 36.315 1.554 3.124
93 HB2 ARG 16 HB2 ARG 16 34.335 2.484 4.261
94 HB3 ARG 16 HB3 ARG 16 33.319 1.904 2.949
95 HG2 ARG 16 HG2 ARG 16 33.409 -0.256 3.643
96 HG3 ARG 16 HG3 ARG 16 35.023 -0.086 4.336
97 HD2 ARG 16 HD2 ARG 16 34.196 0.358 6.357
98 HD3 ARG 16 HD3 ARG 16 33.112 1.588 5.711
99 HE ARG 16 HE ARG 16 31.427 -0.031 5.488
100 HH11 ARG 16 HH11 ARG 16 34.363 -1.413 6.822
101 HH12 ARG 16 HH12 ARG 16 33.568 -2.835 7.405
102 HH21 ARG 16 HH21 ARG 16 30.396 -1.908 6.256
103 HH22 ARG 16 HH22 ARG 16 31.320 -3.117 7.082
104 HA PRO 17 HA PRO 17 36.354 -1.083 -0.530
105 HB2 PRO 17 HB2 PRO 17 36.191 -3.233 1.537
106 HB3 PRO 17 HB3 PRO 17 37.281 -3.083 0.154
107 HG2 PRO 17 HG2 PRO 17 38.125 -2.553 2.624
108 HG3 PRO 17 HG3 PRO 17 38.672 -1.591 1.240
109 HD2 PRO 17 HD2 PRO 17 36.740 -0.893 3.388
110 HD3 PRO 17 HD3 PRO 17 37.849 0.147 2.468
111 HA PRO 18 HA PRO 18 31.920 -1.743 -0.835
112 HB2 PRO 18 HB2 PRO 18 31.988 -3.091 -3.254
113 HB3 PRO 18 HB3 PRO 18 32.001 -1.330 -3.096
114 HG2 PRO 18 HG2 PRO 18 34.273 -3.217 -3.545
115 HG3 PRO 18 HG3 PRO 18 33.986 -1.614 -4.249
116 HD2 PRO 18 HD2 PRO 18 35.746 -2.003 -2.251
117 HD3 PRO 18 HD3 PRO 18 34.790 -0.512 -2.384
118 HA PRO 19 HA PRO 19 32.064 -5.880 1.037
119 HB2 PRO 19 HB2 PRO 19 29.143 -5.366 1.220
120 HB3 PRO 19 HB3 PRO 19 30.277 -5.827 2.493
121 HG2 PRO 19 HG2 PRO 19 29.308 -3.345 2.341
122 HG3 PRO 19 HG3 PRO 19 30.984 -3.651 2.832
123 HD2 PRO 19 HD2 PRO 19 29.923 -2.687 0.209
124 HD3 PRO 19 HD3 PRO 19 31.389 -2.203 1.085
125 H SER 20 H SER 20 30.682 -7.893 0.737
126 HA SER 20 HA SER 20 30.528 -8.514 -2.032
127 HB2 SER 20 HB2 SER 20 29.785 -10.017 0.474
128 HB3 SER 20 HB3 SER 20 29.492 -10.690 -1.130
129 HG SER 20 HG SER 20 31.904 -10.199 0.190
130 H GLY 21 H GLY 21 28.487 -9.771 -2.840
131 HA2 GLY 21 HA2 GLY 21 26.406 -7.900 -3.142
132 HA3 GLY 21 HA3 GLY 21 26.339 -9.588 -3.624
Start of MODEL 33
1 H1 GLY -1 H GLY -1 25.071 -9.353 -1.318
2 HA2 GLY -1 HA2 GLY -1 23.999 -9.885 0.851
3 HA3 GLY -1 HA3 GLY -1 25.423 -9.186 1.609
4 H ASP 1 H ASP 1 23.033 -8.229 2.382
5 HA ASP 1 HA ASP 1 22.084 -6.016 0.868
6 HB2 ASP 1 HB2 ASP 1 21.737 -6.752 3.778
7 HB3 ASP 1 HB3 ASP 1 20.919 -5.395 3.010
8 H ALA 2 H ALA 2 24.919 -6.380 2.692
9 HA ALA 2 HA ALA 2 25.240 -3.923 3.955
10 HB1 ALA 2 HB1 ALA 2 26.793 -5.737 4.323
11 HB2 ALA 2 HB2 ALA 2 27.669 -4.317 3.752
12 HB3 ALA 2 HB3 ALA 2 27.340 -5.652 2.646
13 H TYR 3 H TYR 3 25.553 -4.755 0.551
14 HA TYR 3 HA TYR 3 26.979 -2.536 -0.356
15 HB2 TYR 3 HB2 TYR 3 26.359 -4.606 -1.678
16 HB3 TYR 3 HB3 TYR 3 24.767 -3.887 -1.900
17 HD1 TYR 3 HD1 TYR 3 28.389 -3.172 -2.442
18 HD2 TYR 3 HD2 TYR 3 24.387 -2.474 -3.709
19 HE1 TYR 3 HE1 TYR 3 29.227 -1.923 -4.384
20 HE2 TYR 3 HE2 TYR 3 25.216 -1.221 -5.655
21 HH TYR 3 HH TYR 3 27.777 0.141 -6.010
22 H ALA 4 H ALA 4 23.534 -2.893 0.342
23 HA ALA 4 HA ALA 4 22.611 -0.517 -0.820
24 HB1 ALA 4 HB1 ALA 4 21.370 -2.538 0.381
25 HB2 ALA 4 HB2 ALA 4 20.623 -0.948 0.209
26 HB3 ALA 4 HB3 ALA 4 21.382 -1.406 1.734
27 H GLN 5 H GLN 5 23.823 -1.162 2.463
28 HA GLN 5 HA GLN 5 23.551 1.532 3.359
29 HB2 GLN 5 HB2 GLN 5 24.865 -0.938 4.412
30 HB3 GLN 5 HB3 GLN 5 25.292 0.612 5.121
31 HG2 GLN 5 HG2 GLN 5 22.801 0.977 5.450
32 HG3 GLN 5 HG3 GLN 5 22.612 -0.733 5.063
33 HE21 GLN 5 HE21 GLN 5 23.320 -2.280 6.517
34 HE22 GLN 5 HE22 GLN 5 23.758 -1.895 8.143
35 H TRP 6 H TRP 6 26.105 -0.328 1.830
36 HA TRP 6 HA TRP 6 28.279 1.374 2.279
37 HB2 TRP 6 HB2 TRP 6 28.467 -0.913 1.340
38 HB3 TRP 6 HB3 TRP 6 27.739 -0.344 -0.159
39 HD1 TRP 6 HD1 TRP 6 30.896 0.376 1.979
40 HE1 TRP 6 HE1 TRP 6 32.800 1.034 0.377
41 HE3 TRP 6 HE3 TRP 6 28.315 0.281 -2.428
42 HZ2 TRP 6 HZ2 TRP 6 33.156 1.448 -2.401
43 HZ3 TRP 6 HZ3 TRP 6 29.511 0.816 -4.510
44 HH2 TRP 6 HH2 TRP 6 31.884 1.383 -4.485
45 H LEU 7 H LEU 7 25.865 1.358 -0.333
46 HA LEU 7 HA LEU 7 26.970 3.563 -1.751
47 HB2 LEU 7 HB2 LEU 7 24.209 2.345 -1.743
48 HB3 LEU 7 HB3 LEU 7 24.673 3.655 -2.807
49 HG LEU 7 HG LEU 7 25.983 0.934 -2.778
50 HD11 LEU 7 HD11 LEU 7 24.785 0.798 -5.046
51 HD12 LEU 7 HD12 LEU 7 23.738 2.062 -4.405
52 HD13 LEU 7 HD13 LEU 7 23.848 0.505 -3.582
53 HD21 LEU 7 HD21 LEU 7 26.661 1.853 -5.130
54 HD22 LEU 7 HD22 LEU 7 27.584 2.314 -3.701
55 HD23 LEU 7 HD23 LEU 7 26.393 3.425 -4.379
56 H ALA 8 H ALA 8 24.596 3.239 0.834
57 HA ALA 8 HA ALA 8 23.563 5.853 0.799
58 HB1 ALA 8 HB1 ALA 8 23.609 4.906 3.472
59 HB2 ALA 8 HB2 ALA 8 23.284 3.540 2.405
60 HB3 ALA 8 HB3 ALA 8 22.258 4.972 2.343
61 H ASP 9 H ASP 9 26.569 4.574 2.020
62 HA ASP 9 HA ASP 9 27.149 6.903 3.641
63 HB2 ASP 9 HB2 ASP 9 27.961 4.335 3.836
64 HB3 ASP 9 HB3 ASP 9 29.325 5.010 2.950
65 H GLY 10 H GLY 10 26.952 6.693 0.452
66 HA2 GLY 10 HA2 GLY 10 27.708 8.399 -0.996
67 HA3 GLY 10 HA3 GLY 10 29.110 8.624 0.037
68 H GLY 11 H GLY 11 28.537 5.326 -0.537
69 HA2 GLY 11 HA2 GLY 11 29.647 3.756 -1.783
70 HA3 GLY 11 HA3 GLY 11 29.608 4.937 -3.082
71 HA PRO 12 HA PRO 12 34.112 4.232 -2.628
72 HB2 PRO 12 HB2 PRO 12 33.986 6.313 -4.771
73 HB3 PRO 12 HB3 PRO 12 34.940 4.827 -4.713
74 HG2 PRO 12 HG2 PRO 12 32.755 4.983 -6.219
75 HG3 PRO 12 HG3 PRO 12 33.146 3.500 -5.332
76 HD2 PRO 12 HD2 PRO 12 31.077 5.562 -4.759
77 HD3 PRO 12 HD3 PRO 12 31.045 3.811 -4.466
78 H SER 13 H SER 13 32.356 7.297 -2.683
79 HA SER 13 HA SER 13 34.353 9.091 -2.028
80 HB2 SER 13 HB2 SER 13 31.495 9.130 -1.030
81 HB3 SER 13 HB3 SER 13 32.589 10.510 -1.090
82 HG SER 13 HG SER 13 32.470 10.533 -3.264
83 H SER 14 H SER 14 32.426 7.078 0.199
84 HA SER 14 HA SER 14 33.422 8.110 2.594
85 HB2 SER 14 HB2 SER 14 32.686 5.952 3.584
86 HB3 SER 14 HB3 SER 14 31.459 6.686 2.560
87 HG SER 14 HG SER 14 31.614 5.067 1.212
88 H GLY 15 H GLY 15 34.640 5.481 0.538
89 HA2 GLY 15 HA2 GLY 15 37.084 5.284 0.384
90 HA3 GLY 15 HA3 GLY 15 37.139 5.538 2.121
91 H ARG 16 H ARG 16 34.914 3.791 2.736
92 HA ARG 16 HA ARG 16 36.266 1.381 3.104
93 HB2 ARG 16 HB2 ARG 16 33.867 0.456 3.500
94 HB3 ARG 16 HB3 ARG 16 34.510 1.674 4.590
95 HG2 ARG 16 HG2 ARG 16 33.243 3.146 2.613
96 HG3 ARG 16 HG3 ARG 16 32.189 1.762 2.869
97 HD2 ARG 16 HD2 ARG 16 33.251 3.130 5.273
98 HD3 ARG 16 HD3 ARG 16 32.024 3.977 4.334
99 HE ARG 16 HE ARG 16 30.479 2.281 4.852
100 HH11 ARG 16 HH11 ARG 16 33.588 1.708 6.374
101 HH12 ARG 16 HH12 ARG 16 32.960 0.540 7.485
102 HH21 ARG 16 HH21 ARG 16 29.670 0.741 6.318
103 HH22 ARG 16 HH22 ARG 16 30.741 -0.010 7.453
104 HA PRO 17 HA PRO 17 35.744 -0.711 -0.772
105 HB2 PRO 17 HB2 PRO 17 36.052 -3.277 -0.042
106 HB3 PRO 17 HB3 PRO 17 37.391 -2.124 0.028
107 HG2 PRO 17 HG2 PRO 17 35.613 -3.095 2.236
108 HG3 PRO 17 HG3 PRO 17 37.374 -2.888 2.229
109 HD2 PRO 17 HD2 PRO 17 35.658 -1.067 3.312
110 HD3 PRO 17 HD3 PRO 17 37.237 -0.635 2.625
111 HA PRO 18 HA PRO 18 31.469 -1.870 -1.103
112 HB2 PRO 18 HB2 PRO 18 31.562 -3.246 -3.475
113 HB3 PRO 18 HB3 PRO 18 31.614 -1.481 -3.376
114 HG2 PRO 18 HG2 PRO 18 33.854 -3.432 -3.721
115 HG3 PRO 18 HG3 PRO 18 33.597 -1.866 -4.513
116 HD2 PRO 18 HD2 PRO 18 35.323 -2.192 -2.455
117 HD3 PRO 18 HD3 PRO 18 34.431 -0.681 -2.722
118 HA PRO 19 HA PRO 19 31.574 -5.849 1.029
119 HB2 PRO 19 HB2 PRO 19 28.664 -5.581 0.372
120 HB3 PRO 19 HB3 PRO 19 29.425 -6.024 1.905
121 HG2 PRO 19 HG2 PRO 19 28.445 -3.584 1.555
122 HG3 PRO 19 HG3 PRO 19 29.978 -3.824 2.414
123 HD2 PRO 19 HD2 PRO 19 29.492 -2.815 -0.349
124 HD3 PRO 19 HD3 PRO 19 30.751 -2.363 0.815
125 H SER 20 H SER 20 31.669 -7.927 0.329
126 HA SER 20 HA SER 20 31.164 -8.418 -2.493
127 HB2 SER 20 HB2 SER 20 32.447 -10.185 -0.392
128 HB3 SER 20 HB3 SER 20 32.381 -10.530 -2.121
129 HG SER 20 HG SER 20 33.782 -8.903 -2.513
130 H GLY 21 H GLY 21 28.818 -8.318 -2.293
131 HA2 GLY 21 HA2 GLY 21 26.869 -9.569 -2.524
132 HA3 GLY 21 HA3 GLY 21 27.702 -10.952 -1.830
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